NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
514548 | 2l9f | 17355 | cing | 1-original | 10 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H MET 1 -12.098 -4.316 -20.407 2 HA MET 1 HA MET 1 -14.231 -3.918 -21.538 3 HB3 MET 1 2HB MET 1 -13.344 -6.049 -22.087 4 HG3 MET 1 2HG MET 1 -14.208 -6.876 -19.346 5 HE1 MET 1 3HE MET 1 -13.901 -8.573 -23.158 6 HE2 MET 1 1HE MET 1 -12.389 -8.189 -22.334 7 HE3 MET 1 2HE MET 1 -12.893 -9.869 -22.514 8 H ALA 2 H ALA 2 -14.374 -4.975 -18.224 9 HA ALA 2 HA ALA 2 -17.287 -4.564 -18.201 10 HB1 ALA 2 1HB ALA 2 -15.917 -5.726 -15.844 11 HB2 ALA 2 2HB ALA 2 -17.487 -6.112 -16.550 12 HB3 ALA 2 3HB ALA 2 -16.010 -6.717 -17.300 13 H ARG 3 H ARG 3 -14.254 -3.538 -16.777 14 HA ARG 3 HA ARG 3 -15.704 -1.379 -15.391 15 HB3 ARG 3 2HB ARG 3 -14.859 -2.756 -13.665 16 HG3 ARG 3 2HG ARG 3 -12.141 -2.935 -13.802 17 HD3 ARG 3 2HD ARG 3 -14.424 -4.747 -14.165 18 HE ARG 3 HE ARG 3 -13.324 -6.027 -15.708 19 HH11 ARG 3 1HH1 ARG 3 -11.028 -4.836 -13.378 20 HH12 ARG 3 2HH1 ARG 3 -9.718 -5.793 -13.986 21 HH21 ARG 3 1HH2 ARG 3 -11.607 -7.292 -16.516 22 HH22 ARG 3 2HH2 ARG 3 -10.047 -7.188 -15.772 23 H ALA 4 H ALA 4 -14.298 0.560 -14.978 24 HA ALA 4 HA ALA 4 -12.962 1.269 -17.451 25 HB1 ALA 4 1HB ALA 4 -13.372 3.020 -15.038 26 HB2 ALA 4 2HB ALA 4 -13.068 3.518 -16.703 27 HB3 ALA 4 3HB ALA 4 -14.606 2.766 -16.274 28 H ASP 5 H ASP 5 -12.147 0.615 -14.115 29 HA ASP 5 HA ASP 5 -9.577 1.714 -14.033 30 HB3 ASP 5 2HB ASP 5 -9.187 0.310 -12.119 31 H ASP 6 H ASP 6 -10.380 -1.739 -14.438 32 HA ASP 6 HA ASP 6 -9.341 -3.420 -15.564 33 HB3 ASP 6 2HB ASP 6 -8.134 -1.207 -17.236 34 H THR 7 H THR 7 -7.177 -4.366 -16.082 35 HA THR 7 HA THR 7 -5.463 -4.310 -13.955 36 HB THR 7 HB THR 7 -3.831 -4.810 -16.224 37 HG1 THR 7 1HG THR 7 -6.306 -6.175 -16.455 38 HG21 THR 7 3HG2 THR 7 -3.462 -6.746 -15.132 39 HG22 THR 7 1HG2 THR 7 -5.183 -7.101 -14.975 40 HG23 THR 7 2HG2 THR 7 -4.403 -5.997 -13.842 41 H ALA 8 H ALA 8 -3.354 -3.442 -13.610 42 HA ALA 8 HA ALA 8 -1.790 -1.790 -13.529 43 HB1 ALA 8 1HB ALA 8 -2.611 -0.985 -16.305 44 HB2 ALA 8 2HB ALA 8 -1.032 -0.822 -15.533 45 HB3 ALA 8 3HB ALA 8 -1.632 -2.417 -15.988 46 H LEU 9 H LEU 9 -1.703 0.786 -14.458 47 HA LEU 9 HA LEU 9 -3.488 2.107 -12.714 48 HB3 LEU 9 2HB LEU 9 -1.445 3.174 -13.064 49 HG LEU 9 HG LEU 9 -1.532 2.265 -15.735 50 HD11 LEU 9 1HD1 LEU 9 -1.840 5.197 -15.465 51 HD12 LEU 9 2HD1 LEU 9 -2.326 4.117 -16.772 52 HD13 LEU 9 3HD1 LEU 9 -0.641 4.612 -16.619 53 HD21 LEU 9 3HD2 LEU 9 0.792 2.987 -15.740 54 HD22 LEU 9 1HD2 LEU 9 0.387 2.206 -14.212 55 HD23 LEU 9 2HD2 LEU 9 0.507 3.963 -14.299 56 HA PRO 10 HA PRO 10 -7.068 2.666 -15.206 57 HB3 PRO 10 2HB PRO 10 -8.127 3.337 -13.281 58 HG3 PRO 10 2HG PRO 10 -6.998 4.555 -11.654 59 HD3 PRO 10 2HD PRO 10 -5.502 2.830 -11.968 60 H ALA 11 H ALA 11 -5.303 5.701 -14.558 61 HA ALA 11 HA ALA 11 -5.524 6.345 -17.418 62 HB1 ALA 11 1HB ALA 11 -6.240 8.082 -15.085 63 HB2 ALA 11 2HB ALA 11 -5.735 8.787 -16.622 64 HB3 ALA 11 3HB ALA 11 -7.161 7.751 -16.553 65 H ALA 12 H ALA 12 -4.182 8.295 -14.805 66 HA ALA 12 HA ALA 12 -1.642 8.417 -16.198 67 HB1 ALA 12 1HB ALA 12 -1.931 10.505 -15.429 68 HB2 ALA 12 2HB ALA 12 -3.006 9.988 -14.129 69 HB3 ALA 12 3HB ALA 12 -1.258 9.860 -13.932 70 H THR 13 H THR 13 -2.717 7.575 -12.903 71 HA THR 13 HA THR 13 -0.666 5.514 -12.774 72 HB THR 13 HB THR 13 -0.757 7.222 -10.357 73 HG1 THR 13 1HG THR 13 -0.338 8.946 -11.540 74 HG21 THR 13 3HG2 THR 13 0.646 5.209 -10.514 75 HG22 THR 13 1HG2 THR 13 1.617 6.664 -10.289 76 HG23 THR 13 2HG2 THR 13 1.500 5.918 -11.883 77 H GLY 14 H GLY 14 -3.178 7.244 -10.930 78 HA2 GLY 14 2HA GLY 14 -4.941 6.447 -9.692 79 HA3 GLY 14 3HA GLY 14 -4.722 4.908 -10.512 80 H ALA 15 H ALA 15 -4.708 6.376 -7.565 81 HA ALA 15 HA ALA 15 -2.564 5.385 -6.150 82 HB1 ALA 15 1HB ALA 15 -3.848 5.660 -4.183 83 HB2 ALA 15 2HB ALA 15 -4.403 6.895 -5.313 84 HB3 ALA 15 3HB ALA 15 -5.365 5.440 -5.055 85 H LEU 16 H LEU 16 -5.403 3.691 -7.299 86 HA LEU 16 HA LEU 16 -5.248 1.379 -5.743 87 HB3 LEU 16 2HB LEU 16 -6.005 1.050 -8.578 88 HG LEU 16 HG LEU 16 -8.039 0.072 -7.736 89 HD11 LEU 16 1HD1 LEU 16 -5.539 -0.989 -7.429 90 HD12 LEU 16 2HD1 LEU 16 -7.054 -1.869 -7.235 91 HD13 LEU 16 3HD1 LEU 16 -6.236 -1.199 -5.823 92 HD21 LEU 16 3HD2 LEU 16 -7.067 1.021 -5.047 93 HD22 LEU 16 1HD2 LEU 16 -8.367 -0.151 -5.267 94 HD23 LEU 16 2HD2 LEU 16 -8.546 1.490 -5.886 95 H GLU 17 H GLU 17 -3.647 2.205 -8.790 96 HA GLU 17 HA GLU 17 -2.388 -0.323 -9.121 97 HB3 GLU 17 2HB GLU 17 -2.657 2.022 -10.629 98 HG3 GLU 17 2HG GLU 17 -0.431 2.681 -9.602 99 H LEU 18 H LEU 18 -1.517 2.652 -7.493 100 HA LEU 18 HA LEU 18 1.221 2.187 -7.132 101 HB3 LEU 18 2HB LEU 18 -0.400 3.512 -5.006 102 HG LEU 18 HG LEU 18 2.294 3.968 -6.190 103 HD11 LEU 18 1HD1 LEU 18 0.468 6.049 -6.098 104 HD12 LEU 18 2HD1 LEU 18 2.224 6.191 -6.169 105 HD13 LEU 18 3HD1 LEU 18 1.399 6.222 -4.611 106 HD21 LEU 18 3HD2 LEU 18 1.541 2.885 -3.887 107 HD22 LEU 18 1HD2 LEU 18 1.535 4.577 -3.387 108 HD23 LEU 18 2HD2 LEU 18 3.009 3.854 -4.032 109 H VAL 19 H VAL 19 -1.499 1.476 -4.941 110 HA VAL 19 HA VAL 19 0.038 0.185 -2.968 111 HB VAL 19 HB VAL 19 -2.860 0.299 -3.630 112 HG11 VAL 19 1HG1 VAL 19 -3.304 -1.300 -1.736 113 HG12 VAL 19 2HG1 VAL 19 -2.698 -2.034 -3.221 114 HG13 VAL 19 3HG1 VAL 19 -1.613 -1.786 -1.852 115 HG21 VAL 19 3HG2 VAL 19 -2.659 1.871 -2.065 116 HG22 VAL 19 1HG2 VAL 19 -2.427 0.571 -0.896 117 HG23 VAL 19 2HG2 VAL 19 -1.029 1.340 -1.649 118 H ARG 20 H ARG 20 -1.985 -1.189 -5.562 119 HA ARG 20 HA ARG 20 -1.436 -3.874 -5.085 120 HB3 ARG 20 2HB ARG 20 -1.855 -4.044 -7.661 121 HG3 ARG 20 2HG ARG 20 -3.901 -2.957 -5.746 122 HD3 ARG 20 2HD ARG 20 -4.486 -2.540 -8.146 123 HE ARG 20 HE ARG 20 -3.859 -5.319 -8.445 124 HH11 ARG 20 1HH1 ARG 20 -5.853 -2.720 -9.621 125 HH12 ARG 20 2HH1 ARG 20 -6.077 -3.426 -11.188 126 HH21 ARG 20 1HH2 ARG 20 -4.146 -6.260 -10.503 127 HH22 ARG 20 2HH2 ARG 20 -5.107 -5.440 -11.687 128 H HIS 21 H HIS 21 0.343 -1.497 -6.996 129 HA HIS 21 HA HIS 21 2.195 -3.271 -8.157 130 HB3 HIS 21 2HB HIS 21 2.595 -0.354 -7.459 131 HD1 HIS 21 1HD HIS 21 4.023 -3.294 -9.276 132 HD2 HIS 21 2HD HIS 21 4.711 0.785 -8.889 133 HE1 HIS 21 1HE HIS 21 6.275 -2.891 -10.319 134 H LEU 22 H LEU 22 2.556 -1.138 -5.321 135 HA LEU 22 HA LEU 22 5.093 -1.993 -4.554 136 HB3 LEU 22 2HB LEU 22 4.434 -1.196 -2.275 137 HG LEU 22 HG LEU 22 3.590 0.757 -4.413 138 HD11 LEU 22 1HD1 LEU 22 3.638 2.375 -2.850 139 HD12 LEU 22 2HD1 LEU 22 4.963 1.628 -1.959 140 HD13 LEU 22 3HD1 LEU 22 3.315 1.036 -1.747 141 HD21 LEU 22 3HD2 LEU 22 6.205 1.277 -3.555 142 HD22 LEU 22 1HD2 LEU 22 5.686 0.706 -5.141 143 HD23 LEU 22 2HD2 LEU 22 6.140 -0.454 -3.892 144 H VAL 23 H VAL 23 1.920 -3.342 -3.854 145 HA VAL 23 HA VAL 23 2.828 -5.237 -1.929 146 HB VAL 23 HB VAL 23 0.307 -5.221 -3.596 147 HG11 VAL 23 1HG1 VAL 23 0.456 -6.672 -1.019 148 HG12 VAL 23 2HG1 VAL 23 -0.460 -7.043 -2.481 149 HG13 VAL 23 3HG1 VAL 23 1.265 -7.408 -2.402 150 HG21 VAL 23 3HG2 VAL 23 -0.730 -4.042 -1.919 151 HG22 VAL 23 1HG2 VAL 23 0.411 -4.579 -0.687 152 HG23 VAL 23 2HG2 VAL 23 0.888 -3.346 -1.854 153 H ALA 24 H ALA 24 1.984 -5.471 -5.376 154 HA ALA 24 HA ALA 24 2.445 -8.201 -5.707 155 HB1 ALA 24 1HB ALA 24 2.914 -7.539 -8.130 156 HB2 ALA 24 2HB ALA 24 1.340 -7.111 -7.459 157 HB3 ALA 24 3HB ALA 24 2.597 -5.883 -7.608 158 H GLU 25 H GLU 25 4.676 -5.471 -6.208 159 HA GLU 25 HA GLU 25 6.899 -7.034 -6.945 160 HB3 GLU 25 2HB GLU 25 8.231 -5.021 -6.450 161 HG3 GLU 25 2HG GLU 25 6.005 -3.587 -7.587 162 H ARG 26 H ARG 26 5.591 -6.105 -3.845 163 HA ARG 26 HA ARG 26 7.912 -6.909 -2.350 164 HB3 ARG 26 2HB ARG 26 6.136 -6.765 -0.425 165 HG3 ARG 26 2HG ARG 26 6.116 -4.093 -1.037 166 HD3 ARG 26 2HD ARG 26 7.179 -5.661 0.878 167 HE ARG 26 HE ARG 26 9.325 -6.132 0.219 168 HH11 ARG 26 1HH1 ARG 26 8.610 -2.794 -0.462 169 HH12 ARG 26 2HH1 ARG 26 10.245 -2.391 -0.870 170 HH21 ARG 26 1HH2 ARG 26 11.481 -5.614 -0.314 171 HH22 ARG 26 2HH2 ARG 26 11.878 -3.997 -0.786 172 H ALA 27 H ALA 27 5.260 -8.502 -3.758 173 HA ALA 27 HA ALA 27 5.435 -10.788 -1.942 174 HB1 ALA 27 1HB ALA 27 3.627 -11.377 -3.997 175 HB2 ALA 27 2HB ALA 27 3.254 -10.898 -2.341 176 HB3 ALA 27 3HB ALA 27 3.375 -9.675 -3.606 177 H GLU 28 H GLU 28 7.224 -9.764 -4.393 178 HA GLU 28 HA GLU 28 8.738 -10.782 -5.757 179 HB3 GLU 28 2HB GLU 28 7.892 -13.546 -5.155 180 HG3 GLU 28 2HG GLU 28 10.125 -12.598 -6.188 181 H LEU 29 H LEU 29 6.120 -10.091 -6.661 182 HA LEU 29 HA LEU 29 6.026 -11.757 -9.042 183 HB3 LEU 29 2HB LEU 29 4.313 -12.940 -8.216 184 HG LEU 29 HG LEU 29 4.401 -11.151 -6.009 185 HD11 LEU 29 1HD1 LEU 29 2.457 -10.025 -6.531 186 HD12 LEU 29 2HD1 LEU 29 1.852 -11.360 -5.550 187 HD13 LEU 29 3HD1 LEU 29 1.725 -11.429 -7.308 188 HD21 LEU 29 3HD2 LEU 29 3.100 -13.821 -6.509 189 HD22 LEU 29 1HD2 LEU 29 3.176 -13.053 -4.924 190 HD23 LEU 29 2HD2 LEU 29 4.664 -13.503 -5.757 191 HA PRO 30 HA PRO 30 5.139 -7.998 -11.123 192 HB3 PRO 30 2HB PRO 30 5.134 -9.189 -13.088 193 HG3 PRO 30 2HG PRO 30 4.212 -11.321 -13.196 194 HD3 PRO 30 2HD PRO 30 5.565 -11.567 -11.347 195 H VAL 31 H VAL 31 3.494 -6.413 -11.641 196 HA VAL 31 HA VAL 31 1.361 -6.410 -9.693 197 HB VAL 31 HB VAL 31 2.644 -4.362 -10.106 198 HG11 VAL 31 1HG1 VAL 31 2.661 -5.004 -12.694 199 HG12 VAL 31 2HG1 VAL 31 1.306 -3.875 -12.703 200 HG13 VAL 31 3HG1 VAL 31 2.888 -3.351 -12.124 201 HG21 VAL 31 3HG2 VAL 31 0.863 -3.115 -9.582 202 HG22 VAL 31 1HG2 VAL 31 0.076 -3.440 -11.126 203 HG23 VAL 31 2HG2 VAL 31 -0.083 -4.587 -9.796 204 H GLU 32 H GLU 32 1.709 -7.370 -12.920 205 HA GLU 32 HA GLU 32 -0.994 -6.798 -13.746 206 HB3 GLU 32 2HB GLU 32 1.021 -6.932 -15.288 207 HG3 GLU 32 2HG GLU 32 1.218 -9.536 -14.256 208 H VAL 33 H VAL 33 0.612 -9.288 -12.037 209 HA VAL 33 HA VAL 33 -1.578 -11.185 -12.515 210 HB VAL 33 HB VAL 33 0.930 -11.832 -12.669 211 HG11 VAL 33 1HG1 VAL 33 0.618 -12.231 -9.711 212 HG12 VAL 33 2HG1 VAL 33 2.078 -12.341 -10.696 213 HG13 VAL 33 3HG1 VAL 33 1.346 -10.768 -10.374 214 HG21 VAL 33 3HG2 VAL 33 -0.348 -13.780 -10.893 215 HG22 VAL 33 1HG2 VAL 33 -1.359 -13.246 -12.235 216 HG23 VAL 33 2HG2 VAL 33 0.222 -13.959 -12.552 217 H LEU 34 H LEU 34 -0.737 -8.789 -10.391 218 HA LEU 34 HA LEU 34 -1.387 -9.971 -7.895 219 HB3 LEU 34 2HB LEU 34 -1.866 -7.077 -8.353 220 HG LEU 34 HG LEU 34 -0.384 -6.817 -6.362 221 HD11 LEU 34 1HD1 LEU 34 -2.063 -7.821 -4.759 222 HD12 LEU 34 2HD1 LEU 34 -2.896 -8.456 -6.176 223 HD13 LEU 34 3HD1 LEU 34 -2.707 -6.715 -5.972 224 HD21 LEU 34 3HD2 LEU 34 0.436 -8.611 -5.163 225 HD22 LEU 34 1HD2 LEU 34 0.653 -9.157 -6.825 226 HD23 LEU 34 2HD2 LEU 34 -0.709 -9.747 -5.874 227 H ARG 35 H ARG 35 -3.305 -10.659 -7.242 228 HA ARG 35 HA ARG 35 -5.708 -9.929 -8.656 229 HB3 ARG 35 2HB ARG 35 -6.765 -11.653 -7.485 230 HG3 ARG 35 2HG ARG 35 -3.898 -12.555 -7.371 231 HD3 ARG 35 2HD ARG 35 -5.985 -13.906 -6.461 232 HE ARG 35 HE ARG 35 -6.600 -13.871 -9.189 233 HH11 ARG 35 1HH1 ARG 35 -6.229 -16.151 -6.585 234 HH12 ARG 35 2HH1 ARG 35 -7.355 -17.289 -7.247 235 HH21 ARG 35 1HH2 ARG 35 -8.084 -15.361 -10.071 236 HH22 ARG 35 2HH2 ARG 35 -8.408 -16.840 -9.231 237 H ASP 36 H ASP 36 -7.514 -8.881 -7.791 238 HA ASP 36 HA ASP 36 -6.918 -6.761 -5.975 239 HB3 ASP 36 2HB ASP 36 -9.014 -5.900 -6.508 240 H ASP 37 H ASP 37 -8.191 -9.941 -5.644 241 HA ASP 37 HA ASP 37 -9.154 -9.360 -2.931 242 HB3 ASP 37 2HB ASP 37 -10.308 -11.494 -3.031 243 H SER 38 H SER 38 -6.302 -9.776 -3.992 244 HA SER 38 HA SER 38 -5.428 -12.186 -2.677 245 HB3 SER 38 2HB SER 38 -4.335 -11.179 -4.730 246 HG SER 38 HG SER 38 -3.907 -9.125 -4.432 247 H ARG 39 H ARG 39 -5.379 -12.296 -0.535 248 HA ARG 39 HA ARG 39 -5.281 -10.028 1.167 249 HB3 ARG 39 2HB ARG 39 -5.259 -11.586 2.984 250 HG3 ARG 39 2HG ARG 39 -6.720 -13.343 1.132 251 HD3 ARG 39 2HD ARG 39 -6.785 -12.819 3.810 252 HE ARG 39 HE ARG 39 -8.231 -10.721 2.902 253 HH11 ARG 39 1HH1 ARG 39 -9.053 -13.630 4.630 254 HH12 ARG 39 2HH1 ARG 39 -10.389 -12.910 5.467 255 HH21 ARG 39 1HH2 ARG 39 -9.986 -9.762 3.998 256 HH22 ARG 39 2HH2 ARG 39 -10.918 -10.711 5.106 257 H PHE 40 H PHE 40 -3.630 -9.533 2.743 258 HA PHE 40 HA PHE 40 -0.995 -9.612 1.568 259 HB3 PHE 40 2HB PHE 40 -0.358 -8.090 3.343 260 HD1 PHE 40 1HD PHE 40 -0.633 -7.091 0.966 261 HD2 PHE 40 2HD PHE 40 -3.675 -7.051 3.942 262 HE1 PHE 40 1HE PHE 40 -1.738 -5.223 -0.194 263 HE2 PHE 40 2HE PHE 40 -4.786 -5.185 2.786 264 HZ PHE 40 HZ PHE 40 -3.819 -4.268 0.715 265 H LEU 41 H LEU 41 -2.262 -12.093 2.638 266 HA LEU 41 HA LEU 41 0.067 -13.112 3.976 267 HB3 LEU 41 2HB LEU 41 -1.462 -14.060 5.850 268 HG LEU 41 HG LEU 41 -0.798 -11.124 6.038 269 HD11 LEU 41 1HD1 LEU 41 -0.395 -12.119 8.486 270 HD12 LEU 41 2HD1 LEU 41 -1.675 -13.204 7.945 271 HD13 LEU 41 3HD1 LEU 41 -1.944 -11.461 7.957 272 HD21 LEU 41 3HD2 LEU 41 1.334 -11.886 7.015 273 HD22 LEU 41 1HD2 LEU 41 1.165 -12.342 5.320 274 HD23 LEU 41 2HD2 LEU 41 0.917 -13.546 6.584 275 H ASP 42 H ASP 42 -3.306 -13.672 3.062 276 HA ASP 42 HA ASP 42 -3.213 -16.476 3.001 277 HB3 ASP 42 2HB ASP 42 -4.910 -14.970 1.051 278 H ASP 43 H ASP 43 -2.576 -14.068 0.481 279 HA ASP 43 HA ASP 43 -1.364 -16.212 -1.138 280 HB3 ASP 43 2HB ASP 43 -1.932 -14.107 -2.880 281 H LEU 44 H LEU 44 -1.314 -12.654 -0.832 282 HA LEU 44 HA LEU 44 1.204 -12.239 -1.923 283 HB3 LEU 44 2HB LEU 44 1.171 -10.086 -0.893 284 HG LEU 44 HG LEU 44 -1.632 -10.944 -1.574 285 HD11 LEU 44 1HD1 LEU 44 -1.803 -8.310 -1.794 286 HD12 LEU 44 2HD1 LEU 44 -0.622 -8.376 -0.486 287 HD13 LEU 44 3HD1 LEU 44 -2.194 -9.151 -0.294 288 HD21 LEU 44 3HD2 LEU 44 0.221 -10.837 -3.317 289 HD22 LEU 44 1HD2 LEU 44 0.198 -9.090 -3.068 290 HD23 LEU 44 2HD2 LEU 44 -1.247 -9.916 -3.650 291 H HIS 45 H HIS 45 0.310 -13.448 1.192 292 HA HIS 45 HA HIS 45 1.503 -14.069 3.034 293 HB3 HIS 45 2HB HIS 45 3.866 -14.979 2.389 294 HD1 HIS 45 1HD HIS 45 2.231 -16.651 -0.303 295 HD2 HIS 45 2HD HIS 45 1.850 -16.696 3.834 296 HE1 HIS 45 1HE HIS 45 1.029 -18.793 0.238 297 H MET 46 H MET 46 1.432 -11.655 3.503 298 HA MET 46 HA MET 46 4.191 -10.661 3.775 299 HB3 MET 46 2HB MET 46 3.452 -8.417 3.445 300 HG3 MET 46 2HG MET 46 1.772 -9.026 1.305 301 HE1 MET 46 3HE MET 46 2.085 -7.187 0.128 302 HE2 MET 46 1HE MET 46 3.563 -6.528 -0.575 303 HE3 MET 46 2HE MET 46 2.886 -8.032 -1.198 304 H SER 47 H SER 47 4.685 -11.051 5.848 305 HA SER 47 HA SER 47 2.919 -11.248 7.987 306 HB3 SER 47 2HB SER 47 4.874 -11.067 9.433 307 HG SER 47 HG SER 47 6.222 -12.328 7.480 308 H SER 48 H SER 48 2.643 -9.828 9.836 309 HA SER 48 HA SER 48 1.608 -7.364 9.248 310 HB3 SER 48 2HB SER 48 1.186 -8.460 11.379 311 HG SER 48 HG SER 48 3.226 -7.857 12.860 312 H ILE 49 H ILE 49 4.928 -8.144 10.148 313 HA ILE 49 HA ILE 49 5.799 -5.424 10.271 314 HB ILE 49 HB ILE 49 7.422 -7.954 9.969 315 HG13 ILE 49 2HG1 ILE 49 7.842 -7.624 12.410 316 HG21 ILE 49 1HG2 ILE 49 8.308 -5.197 10.808 317 HG22 ILE 49 2HG2 ILE 49 9.320 -6.636 10.687 318 HG23 ILE 49 3HG2 ILE 49 8.615 -5.929 9.234 319 HD11 ILE 49 3HD1 ILE 49 6.693 -5.143 12.073 320 HD12 ILE 49 1HD1 ILE 49 5.440 -6.080 12.887 321 HD13 ILE 49 2HD1 ILE 49 7.043 -5.938 13.608 322 H THR 50 H THR 50 5.838 -7.951 7.812 323 HA THR 50 HA THR 50 7.457 -6.594 5.938 324 HB THR 50 HB THR 50 5.346 -8.710 5.479 325 HG1 THR 50 1HG THR 50 6.860 -10.035 6.117 326 HG21 THR 50 3HG2 THR 50 6.004 -7.280 3.473 327 HG22 THR 50 1HG2 THR 50 6.208 -9.022 3.305 328 HG23 THR 50 2HG2 THR 50 7.608 -7.998 3.626 329 H VAL 51 H VAL 51 3.950 -6.717 6.414 330 HA VAL 51 HA VAL 51 3.167 -5.306 4.136 331 HB VAL 51 HB VAL 51 1.761 -5.024 6.781 332 HG11 VAL 51 1HG1 VAL 51 0.997 -4.877 3.896 333 HG12 VAL 51 2HG1 VAL 51 -0.210 -5.314 5.106 334 HG13 VAL 51 3HG1 VAL 51 0.625 -3.765 5.213 335 HG21 VAL 51 3HG2 VAL 51 0.652 -7.212 5.444 336 HG22 VAL 51 1HG2 VAL 51 2.396 -7.467 5.394 337 HG23 VAL 51 2HG2 VAL 51 1.583 -7.236 6.942 338 H GLY 52 H GLY 52 3.866 -4.090 7.412 339 HA2 GLY 52 2HA GLY 52 3.365 -1.388 6.933 340 HA3 GLY 52 3HA GLY 52 4.473 -2.004 8.150 341 H GLN 53 H GLN 53 6.124 -3.339 6.072 342 HA GLN 53 HA GLN 53 7.968 -1.242 5.646 343 HB3 GLN 53 2HB GLN 53 9.272 -2.868 4.405 344 HG3 GLN 53 2HG GLN 53 8.576 -4.954 6.086 345 HE21 GLN 53 1HE2 GLN 53 10.555 -5.637 6.422 346 HE22 GLN 53 2HE2 GLN 53 11.917 -4.662 6.843 347 H LEU 54 H LEU 54 5.719 -2.915 3.473 348 HA LEU 54 HA LEU 54 6.464 -1.275 1.220 349 HB3 LEU 54 2HB LEU 54 5.571 -3.728 1.275 350 HG LEU 54 HG LEU 54 3.271 -2.783 2.233 351 HD11 LEU 54 1HD1 LEU 54 3.103 -1.356 0.099 352 HD12 LEU 54 2HD1 LEU 54 1.678 -2.249 0.627 353 HD13 LEU 54 3HD1 LEU 54 2.663 -2.867 -0.698 354 HD21 LEU 54 3HD2 LEU 54 2.423 -4.770 0.465 355 HD22 LEU 54 1HD2 LEU 54 2.988 -4.983 2.122 356 HD23 LEU 54 2HD2 LEU 54 4.124 -5.119 0.780 357 H VAL 55 H VAL 55 3.923 -1.357 3.626 358 HA VAL 55 HA VAL 55 2.077 0.366 2.422 359 HB VAL 55 HB VAL 55 2.695 -0.242 5.298 360 HG11 VAL 55 1HG1 VAL 55 1.064 1.956 4.205 361 HG12 VAL 55 2HG1 VAL 55 0.306 0.991 5.473 362 HG13 VAL 55 3HG1 VAL 55 1.846 1.795 5.777 363 HG21 VAL 55 3HG2 VAL 55 0.489 -1.311 5.214 364 HG22 VAL 55 1HG2 VAL 55 0.325 -0.826 3.526 365 HG23 VAL 55 2HG2 VAL 55 1.579 -1.972 3.997 366 H ASN 56 H ASN 56 4.993 1.027 4.276 367 HA ASN 56 HA ASN 56 4.565 3.805 4.610 368 HB3 ASN 56 2HB ASN 56 7.245 3.642 4.718 369 HD21 ASN 56 1HD2 ASN 56 4.835 1.713 6.475 370 HD22 ASN 56 2HD2 ASN 56 5.035 2.531 7.984 371 H GLU 57 H GLU 57 5.934 1.873 2.036 372 HA GLU 57 HA GLU 57 7.163 4.010 0.624 373 HB3 GLU 57 2HB GLU 57 6.190 1.343 -0.417 374 HG3 GLU 57 2HG GLU 57 6.696 2.865 -2.241 375 H ALA 58 H ALA 58 3.953 2.595 0.610 376 HA ALA 58 HA ALA 58 3.027 3.874 -1.748 377 HB1 ALA 58 1HB ALA 58 1.733 2.463 0.537 378 HB2 ALA 58 2HB ALA 58 0.735 3.410 -0.567 379 HB3 ALA 58 3HB ALA 58 1.713 2.077 -1.184 380 H ALA 59 H ALA 59 2.547 4.621 1.704 381 HA ALA 59 HA ALA 59 1.019 6.903 1.460 382 HB1 ALA 59 1HB ALA 59 2.709 5.719 3.508 383 HB2 ALA 59 2HB ALA 59 2.652 7.480 3.602 384 HB3 ALA 59 3HB ALA 59 1.157 6.545 3.658 385 H ARG 60 H ARG 60 4.529 6.565 1.237 386 HA ARG 60 HA ARG 60 5.205 9.277 1.185 387 HB3 ARG 60 2HB ARG 60 6.559 6.959 -0.206 388 HG3 ARG 60 2HG ARG 60 7.178 9.648 -0.466 389 HD3 ARG 60 2HD ARG 60 8.157 8.927 2.005 390 HE ARG 60 HE ARG 60 9.971 7.757 0.364 391 HH11 ARG 60 1HH1 ARG 60 10.064 10.508 2.494 392 HH12 ARG 60 2HH1 ARG 60 11.750 10.335 2.858 393 HH21 ARG 60 1HH2 ARG 60 12.190 7.517 0.834 394 HH22 ARG 60 2HH2 ARG 60 12.959 8.634 1.912 395 H ALA 61 H ALA 61 4.363 7.067 -1.458 396 HA ALA 61 HA ALA 61 4.736 8.972 -3.532 397 HB1 ALA 61 1HB ALA 61 3.336 7.329 -4.867 398 HB2 ALA 61 2HB ALA 61 4.830 6.707 -4.165 399 HB3 ALA 61 3HB ALA 61 3.280 6.346 -3.404 400 H MET 62 H MET 62 1.923 7.917 -1.663 401 HA MET 62 HA MET 62 0.046 9.482 -3.134 402 HB3 MET 62 2HB MET 62 -1.521 8.923 -1.346 403 HG3 MET 62 2HG MET 62 -1.511 6.550 -1.434 404 HE1 MET 62 3HE MET 62 -2.809 8.467 -2.797 405 HE2 MET 62 1HE MET 62 -1.863 9.328 -4.011 406 HE3 MET 62 2HE MET 62 -3.074 8.147 -4.512 407 H GLY 63 H GLY 63 2.459 10.328 -0.988 408 HA2 GLY 63 2HA GLY 63 3.019 12.400 -0.138 409 HA3 GLY 63 3HA GLY 63 1.547 13.041 -0.853 410 H LEU 64 H LEU 64 2.042 10.492 1.575 411 HA LEU 64 HA LEU 64 0.234 11.981 3.355 412 HB3 LEU 64 2HB LEU 64 -0.499 9.965 4.258 413 HG LEU 64 HG LEU 64 0.076 9.016 1.460 414 HD11 LEU 64 1HD1 LEU 64 -2.258 8.497 3.292 415 HD12 LEU 64 2HD1 LEU 64 -0.881 7.414 3.100 416 HD13 LEU 64 3HD1 LEU 64 -1.938 7.746 1.728 417 HD21 LEU 64 3HD2 LEU 64 -2.476 10.135 1.536 418 HD22 LEU 64 1HD2 LEU 64 -1.064 10.757 0.683 419 HD23 LEU 64 2HD2 LEU 64 -1.428 11.322 2.314 420 H SER 65 H SER 65 0.783 10.587 5.708 421 HA SER 65 HA SER 65 3.605 10.723 6.273 422 HB3 SER 65 2HB SER 65 1.712 12.861 7.220 423 HG SER 65 HG SER 65 4.127 12.934 8.432 424 H ALA 66 H ALA 66 0.781 11.307 8.346 425 HA ALA 66 HA ALA 66 1.600 9.212 10.141 426 HB1 ALA 66 1HB ALA 66 -0.869 9.962 11.014 427 HB2 ALA 66 2HB ALA 66 0.646 10.737 11.476 428 HB3 ALA 66 3HB ALA 66 -0.327 11.413 10.171 429 H VAL 67 H VAL 67 -0.285 9.360 7.345 430 HA VAL 67 HA VAL 67 -2.333 7.522 7.873 431 HB VAL 67 HB VAL 67 -0.890 7.997 5.260 432 HG11 VAL 67 1HG1 VAL 67 -3.302 6.424 6.006 433 HG12 VAL 67 2HG1 VAL 67 -3.309 7.294 4.470 434 HG13 VAL 67 3HG1 VAL 67 -2.063 6.090 4.797 435 HG21 VAL 67 3HG2 VAL 67 -1.744 10.075 5.827 436 HG22 VAL 67 1HG2 VAL 67 -3.054 9.374 4.876 437 HG23 VAL 67 2HG2 VAL 67 -3.152 9.391 6.638 438 H ALA 68 H ALA 68 1.035 7.062 7.609 439 HA ALA 68 HA ALA 68 1.453 4.620 6.512 440 HB1 ALA 68 1HB ALA 68 2.688 5.087 9.179 441 HB2 ALA 68 2HB ALA 68 3.420 4.521 7.677 442 HB3 ALA 68 3HB ALA 68 3.026 6.228 7.876 443 H MET 69 H MET 69 0.129 2.914 6.660 444 HA MET 69 HA MET 69 -0.967 1.121 7.528 445 HB3 MET 69 2HB MET 69 -0.178 0.143 9.511 446 HG3 MET 69 2HG MET 69 2.238 1.806 9.128 447 HE1 MET 69 3HE MET 69 0.549 -1.346 8.284 448 HE2 MET 69 1HE MET 69 1.908 -2.466 8.190 449 HE3 MET 69 2HE MET 69 0.939 -2.378 9.662 450 HA PRO 70 HA PRO 70 -4.182 3.920 9.249 451 HB3 PRO 70 2HB PRO 70 -5.074 4.185 7.148 452 HG3 PRO 70 2HG PRO 70 -4.731 2.591 5.490 453 HD3 PRO 70 2HD PRO 70 -2.559 2.899 6.200 454 H THR 71 H THR 71 -4.351 0.448 8.545 455 HA THR 71 HA THR 71 -5.268 -0.111 11.213 456 HB THR 71 HB THR 71 -7.387 0.501 10.031 457 HG1 THR 71 1HG THR 71 -8.361 -0.976 11.219 458 HG21 THR 71 3HG2 THR 71 -6.315 -1.068 7.979 459 HG22 THR 71 1HG2 THR 71 -7.924 -0.348 8.038 460 HG23 THR 71 2HG2 THR 71 -7.673 -1.996 8.613 461 H ASN 72 H ASN 72 -5.888 -2.588 11.299 462 HA ASN 72 HA ASN 72 -3.620 -4.061 10.767 463 HB3 ASN 72 2HB ASN 72 -6.340 -5.347 10.797 464 HD21 ASN 72 1HD2 ASN 72 -6.255 -7.456 11.248 465 HD22 ASN 72 2HD2 ASN 72 -4.816 -8.328 11.637 466 H PHE 73 H PHE 73 -2.903 -5.354 9.131 467 HA PHE 73 HA PHE 73 -4.474 -5.306 6.638 468 HB3 PHE 73 2HB PHE 73 -2.123 -5.583 5.566 469 HD1 PHE 73 2HD PHE 73 -4.203 -4.079 4.679 470 HD2 PHE 73 1HD PHE 73 -1.046 -2.769 7.216 471 HE1 PHE 73 2HE PHE 73 -4.585 -1.760 3.951 472 HE2 PHE 73 1HE PHE 73 -1.424 -0.448 6.492 473 HZ PHE 73 HZ PHE 73 -3.195 0.059 4.857 474 H ALA 74 H ALA 74 -3.003 -7.227 9.015 475 HA ALA 74 HA ALA 74 -2.238 -9.513 7.625 476 HB1 ALA 74 1HB ALA 74 -3.571 -9.622 10.312 477 HB2 ALA 74 2HB ALA 74 -2.279 -10.642 9.677 478 HB3 ALA 74 3HB ALA 74 -1.949 -8.962 10.103 479 H THR 75 H THR 75 -5.355 -8.197 8.100 480 HA THR 75 HA THR 75 -6.562 -10.661 7.026 481 HB THR 75 HB THR 75 -7.261 -10.417 9.348 482 HG1 THR 75 1HG THR 75 -8.810 -11.166 7.804 483 HG21 THR 75 3HG2 THR 75 -7.162 -7.700 8.858 484 HG22 THR 75 1HG2 THR 75 -7.802 -8.468 10.310 485 HG23 THR 75 2HG2 THR 75 -8.889 -8.030 8.993 486 H ALA 76 H ALA 76 -5.631 -7.803 6.084 487 HA ALA 76 HA ALA 76 -8.117 -7.052 4.708 488 HB1 ALA 76 1HB ALA 76 -7.224 -4.891 4.407 489 HB2 ALA 76 2HB ALA 76 -6.825 -5.345 6.064 490 HB3 ALA 76 3HB ALA 76 -5.591 -5.425 4.807 491 H THR 77 H THR 77 -7.718 -6.127 2.444 492 HA THR 77 HA THR 77 -5.821 -7.866 1.006 493 HB THR 77 HB THR 77 -7.540 -7.589 -0.929 494 HG1 THR 77 1HG THR 77 -9.366 -7.392 1.226 495 HG21 THR 77 3HG2 THR 77 -7.553 -9.422 1.391 496 HG22 THR 77 1HG2 THR 77 -7.382 -9.772 -0.328 497 HG23 THR 77 2HG2 THR 77 -8.978 -9.461 0.355 498 H VAL 78 H VAL 78 -5.430 -7.010 -1.293 499 HA VAL 78 HA VAL 78 -4.108 -4.575 -1.168 500 HB VAL 78 HB VAL 78 -3.978 -4.644 -3.607 501 HG11 VAL 78 1HG1 VAL 78 -3.501 -7.386 -3.496 502 HG12 VAL 78 2HG1 VAL 78 -2.347 -6.092 -3.163 503 HG13 VAL 78 3HG1 VAL 78 -3.267 -6.816 -1.844 504 HG21 VAL 78 3HG2 VAL 78 -6.137 -5.253 -4.304 505 HG22 VAL 78 1HG2 VAL 78 -5.115 -6.619 -4.750 506 HG23 VAL 78 2HG2 VAL 78 -6.137 -6.714 -3.315 507 H ARG 79 H ARG 79 -7.405 -5.294 -2.183 508 HA ARG 79 HA ARG 79 -8.023 -2.760 -3.252 509 HB3 ARG 79 2HB ARG 79 -9.958 -4.658 -1.923 510 HG3 ARG 79 2HG ARG 79 -10.732 -2.357 -2.745 511 HD3 ARG 79 2HD ARG 79 -9.375 -2.788 -4.949 512 HE ARG 79 HE ARG 79 -11.201 -4.756 -5.352 513 HH11 ARG 79 1HH1 ARG 79 -10.492 -1.746 -6.950 514 HH12 ARG 79 2HH1 ARG 79 -11.003 -2.303 -8.509 515 HH21 ARG 79 1HH2 ARG 79 -11.876 -5.502 -7.399 516 HH22 ARG 79 2HH2 ARG 79 -11.791 -4.438 -8.763 517 H GLU 80 H GLU 80 -8.256 -4.087 0.010 518 HA GLU 80 HA GLU 80 -9.628 -1.876 1.140 519 HB3 GLU 80 2HB GLU 80 -8.582 -2.861 3.314 520 HG3 GLU 80 2HG GLU 80 -10.177 -4.936 1.914 521 H MET 81 H MET 81 -6.195 -2.809 1.106 522 HA MET 81 HA MET 81 -5.244 -0.605 2.565 523 HB3 MET 81 2HB MET 81 -3.849 -2.297 0.485 524 HG3 MET 81 2HG MET 81 -2.497 -0.776 2.681 525 HE1 MET 81 3HE MET 81 -1.038 -2.395 3.353 526 HE2 MET 81 1HE MET 81 -1.357 -3.816 2.358 527 HE3 MET 81 2HE MET 81 0.273 -3.146 2.441 528 H ALA 82 H ALA 82 -5.698 -1.101 -0.908 529 HA ALA 82 HA ALA 82 -4.546 1.364 -1.711 530 HB1 ALA 82 1HB ALA 82 -5.133 0.787 -3.852 531 HB2 ALA 82 2HB ALA 82 -5.124 -0.798 -3.079 532 HB3 ALA 82 3HB ALA 82 -6.651 0.039 -3.352 533 H GLU 83 H GLU 83 -7.872 0.341 -1.044 534 HA GLU 83 HA GLU 83 -9.109 2.760 -1.815 535 HB3 GLU 83 2HB GLU 83 -10.846 1.792 0.005 536 HG3 GLU 83 2HG GLU 83 -11.646 1.875 -2.157 537 H ALA 84 H ALA 84 -7.968 1.562 1.320 538 HA ALA 84 HA ALA 84 -8.868 3.701 2.893 539 HB1 ALA 84 1HB ALA 84 -8.145 2.239 4.403 540 HB2 ALA 84 2HB ALA 84 -7.125 1.420 3.220 541 HB3 ALA 84 3HB ALA 84 -6.513 2.829 4.086 542 H LEU 85 H LEU 85 -5.847 3.234 1.112 543 HA LEU 85 HA LEU 85 -4.604 5.612 2.051 544 HB3 LEU 85 2HB LEU 85 -3.260 5.204 -0.182 545 HG LEU 85 HG LEU 85 -3.088 3.201 2.069 546 HD11 LEU 85 1HD1 LEU 85 -1.793 2.208 0.478 547 HD12 LEU 85 2HD1 LEU 85 -0.610 3.324 1.162 548 HD13 LEU 85 3HD1 LEU 85 -1.437 3.727 -0.343 549 HD21 LEU 85 3HD2 LEU 85 -2.661 5.951 2.122 550 HD22 LEU 85 1HD2 LEU 85 -1.052 5.246 1.970 551 HD23 LEU 85 2HD2 LEU 85 -2.101 4.766 3.303 552 H GLU 86 H GLU 86 -6.395 4.796 -0.900 553 HA GLU 86 HA GLU 86 -6.097 7.301 -2.158 554 HB3 GLU 86 2HB GLU 86 -7.078 4.920 -2.950 555 HG3 GLU 86 2HG GLU 86 -9.237 5.532 -1.656 556 H ALA 87 H ALA 87 -8.351 6.099 0.228 557 HA ALA 87 HA ALA 87 -10.280 8.158 0.003 558 HB1 ALA 87 1HB ALA 87 -10.460 7.338 2.607 559 HB2 ALA 87 2HB ALA 87 -11.263 6.573 1.235 560 HB3 ALA 87 3HB ALA 87 -9.724 5.941 1.820 561 H ARG 88 H ARG 88 -7.471 7.734 2.135 562 HA ARG 88 HA ARG 88 -7.817 10.031 3.687 563 HB3 ARG 88 2HB ARG 88 -5.548 9.763 4.363 564 HG3 ARG 88 2HG ARG 88 -5.536 6.985 3.910 565 HD3 ARG 88 2HD ARG 88 -4.893 7.892 6.000 566 HE ARG 88 HE ARG 88 -6.021 9.772 6.641 567 HH11 ARG 88 1HH1 ARG 88 -8.328 7.275 5.884 568 HH12 ARG 88 2HH1 ARG 88 -9.691 8.186 6.442 569 HH21 ARG 88 1HH2 ARG 88 -7.810 10.980 7.378 570 HH22 ARG 88 2HH2 ARG 88 -9.396 10.294 7.291 571 H GLU 89 H GLU 89 -5.712 9.587 0.839 572 HA GLU 89 HA GLU 89 -4.897 12.256 0.630 573 HB3 GLU 89 2HB GLU 89 -3.698 10.550 -0.554 574 HG3 GLU 89 2HG GLU 89 -5.900 9.231 -1.053 575 H ARG 90 H ARG 90 -7.762 10.613 -0.531 576 HA ARG 90 HA ARG 90 -8.660 12.535 -2.365 577 HB3 ARG 90 2HB ARG 90 -10.147 10.531 -0.672 578 HG3 ARG 90 2HG ARG 90 -11.264 12.078 -2.998 579 HD3 ARG 90 2HD ARG 90 -12.098 9.699 -1.487 580 HE ARG 90 HE ARG 90 -13.785 11.929 -1.308 581 HH11 ARG 90 1HH1 ARG 90 -13.878 8.587 -2.281 582 HH12 ARG 90 2HH1 ARG 90 -15.554 8.386 -1.890 583 HH21 ARG 90 1HH2 ARG 90 -15.991 11.676 -0.790 584 HH22 ARG 90 2HH2 ARG 90 -16.755 10.143 -1.043 585 H GLU 91 H GLU 91 -8.764 12.422 1.111 586 HA GLU 91 HA GLU 91 -9.823 15.138 1.146 587 HB3 GLU 91 2HB GLU 91 -11.013 12.974 2.886 588 HG3 GLU 91 2HG GLU 91 -11.085 15.748 3.153 589 H ALA 92 H ALA 92 -7.295 14.846 1.559 590 HA ALA 92 HA ALA 92 -6.820 14.492 4.434 591 HB1 ALA 92 1HB ALA 92 -5.298 13.887 2.084 592 HB2 ALA 92 2HB ALA 92 -4.384 14.982 3.122 593 HB3 ALA 92 3HB ALA 92 -4.979 13.451 3.764 594 HA PRO 93 HA PRO 93 -6.235 18.766 5.232 595 HB3 PRO 93 2HB PRO 93 -5.723 18.195 7.397 596 HG3 PRO 93 2HG PRO 93 -4.471 16.293 7.872 597 HD3 PRO 93 2HD PRO 93 -6.050 15.385 6.460 598 H HIS 94 H HIS 94 -4.256 20.415 5.536 599 HA HIS 94 HA HIS 94 -2.763 20.250 3.028 600 HB3 HIS 94 2HB HIS 94 -4.055 22.285 3.381 601 HD1 HIS 94 1HD HIS 94 -1.349 23.679 5.472 602 HD2 HIS 94 2HD HIS 94 -5.293 22.464 5.950 603 HE1 HIS 94 1HE HIS 94 -2.078 24.620 7.688 604 H LEU 95 H LEU 95 -1.798 18.527 4.924 605 HA LEU 95 HA LEU 95 0.625 19.856 5.936 606 HB3 LEU 95 2HB LEU 95 -0.383 17.163 6.801 607 HG LEU 95 HG LEU 95 1.724 18.959 7.784 608 HD11 LEU 95 1HD1 LEU 95 -0.211 19.175 9.443 609 HD12 LEU 95 2HD1 LEU 95 1.364 18.696 10.074 610 HD13 LEU 95 3HD1 LEU 95 0.106 17.485 9.833 611 HD21 LEU 95 3HD2 LEU 95 1.658 16.424 6.950 612 HD22 LEU 95 1HD2 LEU 95 1.397 16.156 8.674 613 HD23 LEU 95 2HD2 LEU 95 2.837 17.014 8.124 614 H GLU 96 H GLU 96 2.643 18.720 5.760 615 HA GLU 96 HA GLU 96 2.830 16.416 4.040 616 HB3 GLU 96 2HB GLU 96 4.093 18.990 3.093 617 HG3 GLU 96 2HG GLU 96 3.994 16.211 2.031 618 H HIS 97 H HIS 97 5.056 15.650 3.815 619 HA HIS 97 HA HIS 97 7.175 16.843 5.295 620 HB3 HIS 97 2HB HIS 97 6.563 14.249 6.546 621 HD1 HIS 97 1HD HIS 97 6.319 17.607 8.213 622 HD2 HIS 97 2HD HIS 97 9.040 14.500 7.767 623 HE1 HIS 97 1HE HIS 97 8.175 18.101 9.837 624 H HIS 98 H HIS 98 9.118 15.437 5.348 625 HA HIS 98 HA HIS 98 9.117 13.638 3.021 626 HB3 HIS 98 2HB HIS 98 11.457 15.089 4.275 627 HD1 HIS 98 1HD HIS 98 11.065 14.529 0.624 628 HD2 HIS 98 2HD HIS 98 13.149 12.871 3.813 629 HE1 HIS 98 1HE HIS 98 12.795 13.026 -0.412 630 H HIS 99 H HIS 99 10.999 14.034 6.029 631 HA HIS 99 HA HIS 99 11.810 12.525 7.525 632 HB3 HIS 99 2HB HIS 99 9.550 10.772 6.539 633 HD1 HIS 99 1HD HIS 99 9.317 8.630 7.771 634 HD2 HIS 99 2HD HIS 99 11.885 11.267 9.698 635 HE1 HIS 99 1HE HIS 99 10.279 7.340 9.704 636 H HIS 100 H HIS 100 13.788 12.053 6.671 637 HA HIS 100 HA HIS 100 13.949 9.818 4.767 638 HB3 HIS 100 2HB HIS 100 14.995 11.943 4.048 639 HD1 HIS 100 1HD HIS 100 18.169 11.087 5.600 640 HD2 HIS 100 2HD HIS 100 15.093 13.785 6.329 641 HE1 HIS 100 1HE HIS 100 19.136 12.806 7.161 642 H HIS 101 H HIS 101 16.473 8.934 5.121 643 HA HIS 101 HA HIS 101 17.755 7.519 6.358 644 HB3 HIS 101 2HB HIS 101 16.745 9.057 8.756 645 HD1 HIS 101 1HD HIS 101 18.046 8.621 10.866 646 HD2 HIS 101 2HD HIS 101 19.651 6.685 7.559 647 HE1 HIS 101 1HE HIS 101 19.813 7.082 11.780 648 H HIS 102 H HIS 102 16.674 5.619 5.984 649 HA HIS 102 HA HIS 102 15.347 4.443 8.237 650 HB3 HIS 102 2HB HIS 102 13.479 5.681 7.176 651 HD1 HIS 102 1HD HIS 102 14.732 6.507 4.770 652 HD2 HIS 102 2HD HIS 102 12.352 3.103 4.753 653 HE1 HIS 102 1HE HIS 102 14.088 6.150 2.365 Start of MODEL 2 1 H1 MET 1 H MET 1 2.667 -13.386 -22.819 2 HA MET 1 HA MET 1 0.664 -12.178 -22.953 3 HB3 MET 1 2HB MET 1 -0.566 -12.108 -20.537 4 HG3 MET 1 2HG MET 1 -1.188 -13.142 -22.972 5 HE1 MET 1 3HE MET 1 -1.322 -15.962 -19.706 6 HE2 MET 1 1HE MET 1 -2.615 -14.831 -20.105 7 HE3 MET 1 2HE MET 1 -2.743 -16.521 -20.589 8 H ALA 2 H ALA 2 1.113 -10.084 -22.996 9 HA ALA 2 HA ALA 2 1.454 -8.497 -20.698 10 HB1 ALA 2 1HB ALA 2 3.621 -8.663 -20.260 11 HB2 ALA 2 2HB ALA 2 3.845 -9.757 -21.625 12 HB3 ALA 2 3HB ALA 2 3.973 -8.014 -21.862 13 H ARG 3 H ARG 3 1.980 -6.221 -21.243 14 HA ARG 3 HA ARG 3 2.208 -5.273 -23.867 15 HB3 ARG 3 2HB ARG 3 0.056 -6.064 -24.395 16 HG3 ARG 3 2HG ARG 3 -1.804 -4.964 -22.692 17 HD3 ARG 3 2HD ARG 3 -0.848 -7.587 -23.462 18 HE ARG 3 HE ARG 3 -1.088 -7.379 -20.722 19 HH11 ARG 3 1HH1 ARG 3 -2.623 -9.166 -23.285 20 HH12 ARG 3 2HH1 ARG 3 -3.003 -10.528 -22.285 21 HH21 ARG 3 1HH2 ARG 3 -1.583 -9.167 -19.394 22 HH22 ARG 3 2HH2 ARG 3 -2.412 -10.528 -20.072 23 H ALA 4 H ALA 4 1.236 -2.877 -23.939 24 HA ALA 4 HA ALA 4 2.541 -1.493 -21.803 25 HB1 ALA 4 1HB ALA 4 0.789 -0.047 -23.720 26 HB2 ALA 4 2HB ALA 4 2.385 0.379 -23.102 27 HB3 ALA 4 3HB ALA 4 2.223 -0.861 -24.346 28 H ASP 5 H ASP 5 -0.754 -2.314 -22.587 29 HA ASP 5 HA ASP 5 -1.823 -0.543 -20.536 30 HB3 ASP 5 2HB ASP 5 -3.160 -0.623 -22.497 31 H ASP 6 H ASP 6 -0.231 -3.292 -20.346 32 HA ASP 6 HA ASP 6 -0.191 -5.113 -18.970 33 HB3 ASP 6 2HB ASP 6 -0.168 -4.485 -16.795 34 H THR 7 H THR 7 -1.928 -6.073 -17.039 35 HA THR 7 HA THR 7 -3.696 -7.623 -18.486 36 HB THR 7 HB THR 7 -4.947 -7.670 -16.116 37 HG1 THR 7 1HG THR 7 -2.317 -6.958 -15.347 38 HG21 THR 7 3HG2 THR 7 -2.256 -8.903 -16.044 39 HG22 THR 7 1HG2 THR 7 -3.281 -9.321 -17.416 40 HG23 THR 7 2HG2 THR 7 -3.841 -9.627 -15.771 41 H ALA 8 H ALA 8 -5.145 -6.715 -19.839 42 HA ALA 8 HA ALA 8 -7.025 -5.648 -20.552 43 HB1 ALA 8 1HB ALA 8 -7.531 -6.102 -17.677 44 HB2 ALA 8 2HB ALA 8 -8.559 -4.914 -18.481 45 HB3 ALA 8 3HB ALA 8 -8.482 -6.569 -19.089 46 H LEU 9 H LEU 9 -7.057 -3.843 -17.548 47 HA LEU 9 HA LEU 9 -6.767 -1.369 -19.038 48 HB3 LEU 9 2HB LEU 9 -6.906 -0.868 -16.261 49 HG LEU 9 HG LEU 9 -8.234 0.101 -18.431 50 HD11 LEU 9 1HD1 LEU 9 -10.341 -0.637 -18.628 51 HD12 LEU 9 2HD1 LEU 9 -10.540 -0.847 -16.889 52 HD13 LEU 9 3HD1 LEU 9 -9.727 -2.090 -17.840 53 HD21 LEU 9 3HD2 LEU 9 -7.730 1.165 -16.211 54 HD22 LEU 9 1HD2 LEU 9 -9.201 0.408 -15.596 55 HD23 LEU 9 2HD2 LEU 9 -9.297 1.583 -16.908 56 HA PRO 10 HA PRO 10 -2.520 -0.690 -18.131 57 HB3 PRO 10 2HB PRO 10 -2.623 1.050 -19.629 58 HG3 PRO 10 2HG PRO 10 -4.530 2.367 -19.807 59 HD3 PRO 10 2HD PRO 10 -5.482 0.272 -19.940 60 H ALA 11 H ALA 11 -5.011 0.170 -16.018 61 HA ALA 11 HA ALA 11 -5.091 0.543 -13.773 62 HB1 ALA 11 1HB ALA 11 -3.415 -0.332 -12.417 63 HB2 ALA 11 2HB ALA 11 -3.279 -1.282 -13.898 64 HB3 ALA 11 3HB ALA 11 -2.145 0.032 -13.586 65 H ALA 12 H ALA 12 -4.984 2.787 -15.259 66 HA ALA 12 HA ALA 12 -2.882 4.539 -14.328 67 HB1 ALA 12 1HB ALA 12 -3.380 5.442 -16.302 68 HB2 ALA 12 2HB ALA 12 -4.932 4.608 -16.381 69 HB3 ALA 12 3HB ALA 12 -4.796 6.137 -15.513 70 H THR 13 H THR 13 -5.544 3.327 -12.883 71 HA THR 13 HA THR 13 -7.055 5.306 -11.802 72 HB THR 13 HB THR 13 -5.923 2.927 -10.318 73 HG1 THR 13 1HG THR 13 -8.264 3.353 -11.871 74 HG21 THR 13 3HG2 THR 13 -6.776 4.031 -8.533 75 HG22 THR 13 1HG2 THR 13 -8.305 3.405 -9.149 76 HG23 THR 13 2HG2 THR 13 -7.812 5.055 -9.527 77 H GLY 14 H GLY 14 -3.984 4.160 -10.380 78 HA2 GLY 14 2HA GLY 14 -2.373 5.950 -9.762 79 HA3 GLY 14 3HA GLY 14 -3.748 6.805 -9.080 80 H ALA 15 H ALA 15 -4.672 6.069 -7.133 81 HA ALA 15 HA ALA 15 -2.851 5.116 -5.229 82 HB1 ALA 15 1HB ALA 15 -5.241 6.360 -5.093 83 HB2 ALA 15 2HB ALA 15 -5.705 4.725 -4.620 84 HB3 ALA 15 3HB ALA 15 -4.455 5.582 -3.718 85 H LEU 16 H LEU 16 -5.261 3.457 -7.173 86 HA LEU 16 HA LEU 16 -5.116 0.979 -5.778 87 HB3 LEU 16 2HB LEU 16 -5.945 0.341 -8.315 88 HG LEU 16 HG LEU 16 -8.319 0.881 -7.506 89 HD11 LEU 16 1HD1 LEU 16 -7.469 -1.349 -7.428 90 HD12 LEU 16 2HD1 LEU 16 -8.245 -1.010 -5.881 91 HD13 LEU 16 3HD1 LEU 16 -6.487 -0.984 -6.009 92 HD21 LEU 16 3HD2 LEU 16 -6.850 1.317 -4.909 93 HD22 LEU 16 1HD2 LEU 16 -8.595 1.342 -5.168 94 HD23 LEU 16 2HD2 LEU 16 -7.582 2.604 -5.870 95 H GLU 17 H GLU 17 -3.638 2.198 -8.768 96 HA GLU 17 HA GLU 17 -2.212 -0.191 -9.340 97 HB3 GLU 17 2HB GLU 17 -2.802 1.742 -10.930 98 HG3 GLU 17 2HG GLU 17 -0.298 2.832 -9.679 99 H LEU 18 H LEU 18 -1.502 2.685 -7.472 100 HA LEU 18 HA LEU 18 1.282 2.258 -7.189 101 HB3 LEU 18 2HB LEU 18 -0.381 3.619 -5.107 102 HG LEU 18 HG LEU 18 2.344 4.160 -6.249 103 HD11 LEU 18 1HD1 LEU 18 0.439 6.126 -5.662 104 HD12 LEU 18 2HD1 LEU 18 2.172 6.343 -5.908 105 HD13 LEU 18 3HD1 LEU 18 1.538 6.086 -4.283 106 HD21 LEU 18 3HD2 LEU 18 1.305 2.996 -3.848 107 HD22 LEU 18 1HD2 LEU 18 2.213 4.456 -3.457 108 HD23 LEU 18 2HD2 LEU 18 2.981 3.160 -4.375 109 H VAL 19 H VAL 19 -1.437 1.578 -4.986 110 HA VAL 19 HA VAL 19 0.118 0.271 -3.027 111 HB VAL 19 HB VAL 19 -2.816 0.313 -3.643 112 HG11 VAL 19 1HG1 VAL 19 -3.147 -1.026 -1.551 113 HG12 VAL 19 2HG1 VAL 19 -2.496 -1.935 -2.917 114 HG13 VAL 19 3HG1 VAL 19 -1.430 -1.422 -1.609 115 HG21 VAL 19 3HG2 VAL 19 -2.591 1.088 -1.100 116 HG22 VAL 19 1HG2 VAL 19 -0.974 1.512 -1.659 117 HG23 VAL 19 2HG2 VAL 19 -2.390 2.201 -2.453 118 H ARG 20 H ARG 20 -1.818 -0.967 -5.732 119 HA ARG 20 HA ARG 20 -1.427 -3.700 -5.208 120 HB3 ARG 20 2HB ARG 20 -1.881 -3.890 -7.749 121 HG3 ARG 20 2HG ARG 20 -3.751 -2.770 -5.724 122 HD3 ARG 20 2HD ARG 20 -4.077 -2.033 -8.326 123 HE ARG 20 HE ARG 20 -6.019 -4.179 -8.223 124 HH11 ARG 20 1HH1 ARG 20 -2.988 -3.037 -9.499 125 HH12 ARG 20 2HH1 ARG 20 -3.001 -4.120 -10.851 126 HH21 ARG 20 1HH2 ARG 20 -6.048 -5.610 -9.999 127 HH22 ARG 20 2HH2 ARG 20 -4.742 -5.582 -11.136 128 H HIS 21 H HIS 21 0.437 -1.376 -7.103 129 HA HIS 21 HA HIS 21 2.233 -3.209 -8.262 130 HB3 HIS 21 2HB HIS 21 2.706 -0.303 -7.566 131 HD1 HIS 21 1HD HIS 21 4.108 -3.286 -9.325 132 HD2 HIS 21 2HD HIS 21 4.868 0.783 -8.974 133 HE1 HIS 21 1HE HIS 21 6.388 -2.939 -10.328 134 H LEU 22 H LEU 22 2.665 -1.080 -5.431 135 HA LEU 22 HA LEU 22 5.167 -2.031 -4.656 136 HB3 LEU 22 2HB LEU 22 4.601 -1.150 -2.417 137 HG LEU 22 HG LEU 22 3.664 0.722 -4.591 138 HD11 LEU 22 1HD1 LEU 22 2.992 1.770 -2.658 139 HD12 LEU 22 2HD1 LEU 22 4.639 2.376 -2.827 140 HD13 LEU 22 3HD1 LEU 22 4.293 1.069 -1.696 141 HD21 LEU 22 3HD2 LEU 22 6.294 1.234 -3.581 142 HD22 LEU 22 1HD2 LEU 22 5.778 0.909 -5.236 143 HD23 LEU 22 2HD2 LEU 22 6.194 -0.428 -4.164 144 H VAL 23 H VAL 23 1.944 -3.257 -3.977 145 HA VAL 23 HA VAL 23 2.760 -5.165 -2.022 146 HB VAL 23 HB VAL 23 0.261 -4.612 -3.531 147 HG11 VAL 23 1HG1 VAL 23 -0.652 -6.760 -2.369 148 HG12 VAL 23 2HG1 VAL 23 0.151 -6.881 -3.936 149 HG13 VAL 23 3HG1 VAL 23 1.027 -7.294 -2.462 150 HG21 VAL 23 3HG2 VAL 23 -0.373 -3.850 -1.540 151 HG22 VAL 23 1HG2 VAL 23 -0.029 -5.406 -0.786 152 HG23 VAL 23 2HG2 VAL 23 1.247 -4.199 -0.938 153 H ALA 24 H ALA 24 1.947 -5.404 -5.476 154 HA ALA 24 HA ALA 24 2.332 -8.155 -5.766 155 HB1 ALA 24 1HB ALA 24 2.823 -7.529 -8.198 156 HB2 ALA 24 2HB ALA 24 1.252 -7.078 -7.535 157 HB3 ALA 24 3HB ALA 24 2.524 -5.866 -7.694 158 H GLU 25 H GLU 25 4.625 -5.479 -6.258 159 HA GLU 25 HA GLU 25 6.813 -7.089 -7.005 160 HB3 GLU 25 2HB GLU 25 8.191 -5.103 -6.460 161 HG3 GLU 25 2HG GLU 25 6.066 -3.605 -7.670 162 H ARG 26 H ARG 26 5.472 -6.235 -3.915 163 HA ARG 26 HA ARG 26 7.779 -7.028 -2.393 164 HB3 ARG 26 2HB ARG 26 5.970 -6.975 -0.500 165 HG3 ARG 26 2HG ARG 26 5.867 -4.305 -0.985 166 HD3 ARG 26 2HD ARG 26 7.108 -5.939 0.779 167 HE ARG 26 HE ARG 26 9.440 -4.495 -0.165 168 HH11 ARG 26 1HH1 ARG 26 7.746 -7.529 0.030 169 HH12 ARG 26 2HH1 ARG 26 9.159 -8.487 -0.271 170 HH21 ARG 26 1HH2 ARG 26 11.307 -5.744 -0.562 171 HH22 ARG 26 2HH2 ARG 26 11.184 -7.470 -0.606 172 H ALA 27 H ALA 27 4.984 -8.583 -3.706 173 HA ALA 27 HA ALA 27 5.324 -10.947 -2.033 174 HB1 ALA 27 1HB ALA 27 3.378 -11.730 -3.613 175 HB2 ALA 27 2HB ALA 27 3.073 -10.604 -2.291 176 HB3 ALA 27 3HB ALA 27 3.241 -10.003 -3.940 177 H GLU 28 H GLU 28 7.153 -9.906 -4.318 178 HA GLU 28 HA GLU 28 8.517 -10.814 -5.894 179 HB3 GLU 28 2HB GLU 28 7.656 -13.561 -5.053 180 HG3 GLU 28 2HG GLU 28 9.665 -12.731 -6.684 181 H LEU 29 H LEU 29 5.951 -10.106 -6.738 182 HA LEU 29 HA LEU 29 5.692 -11.845 -9.057 183 HB3 LEU 29 2HB LEU 29 3.112 -11.601 -8.701 184 HG LEU 29 HG LEU 29 4.683 -13.614 -7.095 185 HD11 LEU 29 1HD1 LEU 29 2.470 -13.476 -6.186 186 HD12 LEU 29 2HD1 LEU 29 2.579 -14.930 -7.176 187 HD13 LEU 29 3HD1 LEU 29 1.756 -13.501 -7.799 188 HD21 LEU 29 3HD2 LEU 29 5.133 -13.714 -9.484 189 HD22 LEU 29 1HD2 LEU 29 3.403 -13.771 -9.822 190 HD23 LEU 29 2HD2 LEU 29 4.179 -15.106 -8.972 191 HA PRO 30 HA PRO 30 4.987 -8.103 -11.236 192 HB3 PRO 30 2HB PRO 30 4.942 -9.350 -13.166 193 HG3 PRO 30 2HG PRO 30 3.944 -11.450 -13.214 194 HD3 PRO 30 2HD PRO 30 5.283 -11.691 -11.353 195 H VAL 31 H VAL 31 3.486 -6.417 -11.650 196 HA VAL 31 HA VAL 31 1.322 -6.307 -9.765 197 HB VAL 31 HB VAL 31 2.685 -4.322 -10.205 198 HG11 VAL 31 1HG1 VAL 31 2.737 -5.009 -12.768 199 HG12 VAL 31 2HG1 VAL 31 1.397 -3.863 -12.839 200 HG13 VAL 31 3HG1 VAL 31 2.973 -3.343 -12.241 201 HG21 VAL 31 3HG2 VAL 31 0.951 -2.999 -9.719 202 HG22 VAL 31 1HG2 VAL 31 0.181 -3.300 -11.277 203 HG23 VAL 31 2HG2 VAL 31 -0.060 -4.428 -9.942 204 H GLU 32 H GLU 32 1.630 -7.341 -12.974 205 HA GLU 32 HA GLU 32 -1.059 -6.678 -13.795 206 HB3 GLU 32 2HB GLU 32 0.939 -6.866 -15.350 207 HG3 GLU 32 2HG GLU 32 1.103 -9.460 -14.306 208 H VAL 33 H VAL 33 0.502 -9.226 -12.116 209 HA VAL 33 HA VAL 33 -1.749 -11.053 -12.568 210 HB VAL 33 HB VAL 33 0.790 -11.721 -12.697 211 HG11 VAL 33 1HG1 VAL 33 0.272 -12.180 -9.767 212 HG12 VAL 33 2HG1 VAL 33 1.762 -12.470 -10.665 213 HG13 VAL 33 3HG1 VAL 33 1.208 -10.820 -10.382 214 HG21 VAL 33 3HG2 VAL 33 -0.831 -13.636 -11.099 215 HG22 VAL 33 1HG2 VAL 33 -1.449 -13.118 -12.668 216 HG23 VAL 33 2HG2 VAL 33 0.125 -13.906 -12.556 217 H LEU 34 H LEU 34 -0.915 -8.653 -10.491 218 HA LEU 34 HA LEU 34 -1.507 -9.804 -7.965 219 HB3 LEU 34 2HB LEU 34 -2.034 -6.925 -8.470 220 HG LEU 34 HG LEU 34 -0.496 -6.632 -6.501 221 HD11 LEU 34 1HD1 LEU 34 -2.204 -7.544 -4.867 222 HD12 LEU 34 2HD1 LEU 34 -3.068 -8.169 -6.272 223 HD13 LEU 34 3HD1 LEU 34 -2.806 -6.434 -6.098 224 HD21 LEU 34 3HD2 LEU 34 0.354 -8.390 -5.325 225 HD22 LEU 34 1HD2 LEU 34 0.374 -9.093 -6.943 226 HD23 LEU 34 2HD2 LEU 34 -0.930 -9.493 -5.825 227 H ARG 35 H ARG 35 -3.403 -10.459 -7.218 228 HA ARG 35 HA ARG 35 -5.837 -9.867 -8.637 229 HB3 ARG 35 2HB ARG 35 -6.897 -11.380 -7.050 230 HG3 ARG 35 2HG ARG 35 -4.623 -13.072 -7.188 231 HD3 ARG 35 2HD ARG 35 -7.049 -13.629 -7.502 232 HE ARG 35 HE ARG 35 -7.033 -11.819 -9.554 233 HH11 ARG 35 1HH1 ARG 35 -7.748 -15.213 -9.243 234 HH12 ARG 35 2HH1 ARG 35 -8.910 -15.219 -10.529 235 HH21 ARG 35 1HH2 ARG 35 -8.559 -11.815 -11.248 236 HH22 ARG 35 2HH2 ARG 35 -9.370 -13.285 -11.670 237 H ASP 36 H ASP 36 -7.629 -8.750 -7.863 238 HA ASP 36 HA ASP 36 -7.042 -6.514 -6.184 239 HB3 ASP 36 2HB ASP 36 -9.195 -5.721 -6.730 240 H ASP 37 H ASP 37 -8.485 -9.633 -5.712 241 HA ASP 37 HA ASP 37 -9.381 -8.878 -3.021 242 HB3 ASP 37 2HB ASP 37 -10.567 -11.051 -3.029 243 H SER 38 H SER 38 -6.561 -9.484 -4.052 244 HA SER 38 HA SER 38 -5.771 -11.901 -2.745 245 HB3 SER 38 2HB SER 38 -4.428 -9.713 -4.220 246 HG SER 38 HG SER 38 -2.526 -11.230 -3.127 247 H ARG 39 H ARG 39 -4.877 -12.206 -0.759 248 HA ARG 39 HA ARG 39 -5.170 -10.001 1.135 249 HB3 ARG 39 2HB ARG 39 -5.240 -11.617 2.846 250 HG3 ARG 39 2HG ARG 39 -6.390 -13.486 0.901 251 HD3 ARG 39 2HD ARG 39 -6.744 -13.121 3.498 252 HE ARG 39 HE ARG 39 -7.852 -11.125 3.782 253 HH11 ARG 39 1HH1 ARG 39 -9.326 -12.933 1.197 254 HH12 ARG 39 2HH1 ARG 39 -10.700 -11.885 1.073 255 HH21 ARG 39 1HH2 ARG 39 -9.656 -9.739 3.628 256 HH22 ARG 39 2HH2 ARG 39 -10.887 -10.068 2.456 257 H PHE 40 H PHE 40 -3.516 -9.566 2.720 258 HA PHE 40 HA PHE 40 -0.879 -9.594 1.535 259 HB3 PHE 40 2HB PHE 40 -0.253 -8.081 3.300 260 HD1 PHE 40 1HD PHE 40 -0.597 -6.981 1.005 261 HD2 PHE 40 2HD PHE 40 -3.614 -7.196 3.999 262 HE1 PHE 40 1HE PHE 40 -1.792 -5.117 -0.069 263 HE2 PHE 40 2HE PHE 40 -4.814 -5.334 2.930 264 HZ PHE 40 HZ PHE 40 -3.903 -4.291 0.892 265 H LEU 41 H LEU 41 -2.172 -12.088 2.592 266 HA LEU 41 HA LEU 41 0.168 -13.117 3.924 267 HB3 LEU 41 2HB LEU 41 -1.509 -14.147 5.697 268 HG LEU 41 HG LEU 41 -0.425 -11.348 6.010 269 HD11 LEU 41 1HD1 LEU 41 -0.499 -12.247 8.494 270 HD12 LEU 41 2HD1 LEU 41 -1.847 -13.189 7.855 271 HD13 LEU 41 3HD1 LEU 41 -1.880 -11.429 7.761 272 HD21 LEU 41 3HD2 LEU 41 1.556 -12.243 6.643 273 HD22 LEU 41 1HD2 LEU 41 1.037 -13.545 5.571 274 HD23 LEU 41 2HD2 LEU 41 0.813 -13.696 7.314 275 H ASP 42 H ASP 42 -3.163 -13.684 2.884 276 HA ASP 42 HA ASP 42 -3.106 -16.474 2.792 277 HB3 ASP 42 2HB ASP 42 -4.598 -14.844 0.755 278 H ASP 43 H ASP 43 -2.449 -14.139 0.183 279 HA ASP 43 HA ASP 43 -1.047 -16.292 -1.262 280 HB3 ASP 43 2HB ASP 43 -1.493 -14.217 -3.074 281 H LEU 44 H LEU 44 -1.010 -12.747 -0.866 282 HA LEU 44 HA LEU 44 1.562 -12.316 -1.847 283 HB3 LEU 44 2HB LEU 44 1.474 -10.175 -0.791 284 HG LEU 44 HG LEU 44 -1.331 -10.973 -1.561 285 HD11 LEU 44 1HD1 LEU 44 -1.603 -8.478 -1.869 286 HD12 LEU 44 2HD1 LEU 44 -0.148 -8.291 -0.891 287 HD13 LEU 44 3HD1 LEU 44 -1.579 -9.059 -0.205 288 HD21 LEU 44 3HD2 LEU 44 0.994 -10.617 -3.082 289 HD22 LEU 44 1HD2 LEU 44 0.033 -9.158 -3.323 290 HD23 LEU 44 2HD2 LEU 44 -0.666 -10.741 -3.667 291 H HIS 45 H HIS 45 0.496 -13.552 1.204 292 HA HIS 45 HA HIS 45 1.588 -14.164 3.115 293 HB3 HIS 45 2HB HIS 45 3.992 -14.689 1.388 294 HD1 HIS 45 1HD HIS 45 5.597 -15.375 3.165 295 HD2 HIS 45 2HD HIS 45 1.830 -17.038 3.722 296 HE1 HIS 45 1HE HIS 45 5.846 -16.977 5.087 297 H MET 46 H MET 46 1.588 -11.835 3.711 298 HA MET 46 HA MET 46 4.355 -10.899 4.059 299 HB3 MET 46 2HB MET 46 3.856 -8.724 3.458 300 HG3 MET 46 2HG MET 46 2.201 -10.546 1.781 301 HE1 MET 46 3HE MET 46 3.491 -6.930 0.283 302 HE2 MET 46 1HE MET 46 3.479 -8.530 -0.459 303 HE3 MET 46 2HE MET 46 2.289 -7.323 -0.946 304 H SER 47 H SER 47 4.799 -11.049 6.153 305 HA SER 47 HA SER 47 2.906 -11.263 8.206 306 HB3 SER 47 2HB SER 47 4.762 -11.093 9.739 307 HG SER 47 HG SER 47 5.758 -12.813 9.000 308 H SER 48 H SER 48 2.596 -9.785 10.034 309 HA SER 48 HA SER 48 1.531 -7.358 9.329 310 HB3 SER 48 2HB SER 48 2.793 -7.598 12.033 311 HG SER 48 HG SER 48 1.355 -6.099 12.288 312 H ILE 49 H ILE 49 4.842 -8.071 10.303 313 HA ILE 49 HA ILE 49 5.673 -5.335 10.378 314 HB ILE 49 HB ILE 49 7.342 -7.845 10.168 315 HG13 ILE 49 2HG1 ILE 49 7.697 -7.456 12.615 316 HG21 ILE 49 1HG2 ILE 49 8.163 -5.064 10.992 317 HG22 ILE 49 2HG2 ILE 49 9.201 -6.485 10.896 318 HG23 ILE 49 3HG2 ILE 49 8.507 -5.800 9.427 319 HD11 ILE 49 3HD1 ILE 49 5.233 -5.936 12.933 320 HD12 ILE 49 1HD1 ILE 49 6.768 -5.811 13.793 321 HD13 ILE 49 2HD1 ILE 49 6.560 -5.007 12.237 322 H THR 50 H THR 50 5.828 -7.936 7.996 323 HA THR 50 HA THR 50 7.460 -6.621 6.117 324 HB THR 50 HB THR 50 5.341 -8.724 5.628 325 HG1 THR 50 1HG THR 50 7.380 -9.040 7.052 326 HG21 THR 50 3HG2 THR 50 6.242 -7.311 3.652 327 HG22 THR 50 1HG2 THR 50 6.233 -9.068 3.506 328 HG23 THR 50 2HG2 THR 50 7.732 -8.223 3.891 329 H VAL 51 H VAL 51 3.969 -6.636 6.621 330 HA VAL 51 HA VAL 51 3.237 -5.293 4.258 331 HB VAL 51 HB VAL 51 1.767 -5.028 6.872 332 HG11 VAL 51 1HG1 VAL 51 1.072 -4.786 3.978 333 HG12 VAL 51 2HG1 VAL 51 -0.169 -5.254 5.141 334 HG13 VAL 51 3HG1 VAL 51 0.675 -3.715 5.321 335 HG21 VAL 51 3HG2 VAL 51 0.830 -7.201 5.226 336 HG22 VAL 51 1HG2 VAL 51 2.512 -7.447 5.695 337 HG23 VAL 51 2HG2 VAL 51 1.279 -7.199 6.932 338 H GLY 52 H GLY 52 3.860 -4.056 7.541 339 HA2 GLY 52 2HA GLY 52 3.352 -1.362 7.052 340 HA3 GLY 52 3HA GLY 52 4.459 -1.967 8.277 341 H GLN 53 H GLN 53 6.133 -3.292 6.214 342 HA GLN 53 HA GLN 53 7.952 -1.168 5.783 343 HB3 GLN 53 2HB GLN 53 9.324 -2.780 4.647 344 HG3 GLN 53 2HG GLN 53 8.459 -4.900 6.256 345 HE21 GLN 53 1HE2 GLN 53 10.584 -5.424 5.792 346 HE22 GLN 53 2HE2 GLN 53 11.920 -4.655 6.574 347 H LEU 54 H LEU 54 5.728 -2.894 3.632 348 HA LEU 54 HA LEU 54 6.482 -1.305 1.347 349 HB3 LEU 54 2HB LEU 54 5.559 -3.761 1.484 350 HG LEU 54 HG LEU 54 3.252 -2.750 2.333 351 HD11 LEU 54 1HD1 LEU 54 3.202 -1.378 0.141 352 HD12 LEU 54 2HD1 LEU 54 1.730 -2.185 0.682 353 HD13 LEU 54 3HD1 LEU 54 2.704 -2.898 -0.604 354 HD21 LEU 54 3HD2 LEU 54 2.495 -4.768 0.498 355 HD22 LEU 54 1HD2 LEU 54 2.811 -4.920 2.227 356 HD23 LEU 54 2HD2 LEU 54 4.121 -5.147 1.068 357 H VAL 55 H VAL 55 3.930 -1.333 3.744 358 HA VAL 55 HA VAL 55 2.084 0.356 2.503 359 HB VAL 55 HB VAL 55 2.721 -0.144 5.398 360 HG11 VAL 55 1HG1 VAL 55 1.061 1.989 4.226 361 HG12 VAL 55 2HG1 VAL 55 0.311 1.060 5.524 362 HG13 VAL 55 3HG1 VAL 55 1.840 1.893 5.805 363 HG21 VAL 55 3HG2 VAL 55 0.567 -1.279 5.378 364 HG22 VAL 55 1HG2 VAL 55 0.322 -0.813 3.695 365 HG23 VAL 55 2HG2 VAL 55 1.621 -1.928 4.121 366 H ASN 56 H ASN 56 5.021 1.075 4.293 367 HA ASN 56 HA ASN 56 4.593 3.859 4.565 368 HB3 ASN 56 2HB ASN 56 7.277 3.704 4.614 369 HD21 ASN 56 1HD2 ASN 56 6.902 1.484 6.917 370 HD22 ASN 56 2HD2 ASN 56 6.362 2.472 8.228 371 H GLU 57 H GLU 57 5.930 1.868 2.015 372 HA GLU 57 HA GLU 57 7.096 3.990 0.522 373 HB3 GLU 57 2HB GLU 57 6.128 1.392 -0.649 374 HG3 GLU 57 2HG GLU 57 7.167 3.100 -2.144 375 H ALA 58 H ALA 58 3.920 2.510 0.613 376 HA ALA 58 HA ALA 58 2.922 3.671 -1.774 377 HB1 ALA 58 1HB ALA 58 1.851 2.127 0.463 378 HB2 ALA 58 2HB ALA 58 0.702 3.274 -0.226 379 HB3 ALA 58 3HB ALA 58 1.459 2.059 -1.255 380 H ALA 59 H ALA 59 2.533 4.578 1.649 381 HA ALA 59 HA ALA 59 1.004 6.884 1.218 382 HB1 ALA 59 1HB ALA 59 2.281 5.599 3.430 383 HB2 ALA 59 2HB ALA 59 2.583 7.335 3.502 384 HB3 ALA 59 3HB ALA 59 0.928 6.730 3.429 385 H ARG 60 H ARG 60 4.484 6.367 1.211 386 HA ARG 60 HA ARG 60 5.323 9.034 1.269 387 HB3 ARG 60 2HB ARG 60 6.711 6.870 -0.300 388 HG3 ARG 60 2HG ARG 60 8.563 8.145 1.265 389 HD3 ARG 60 2HD ARG 60 8.302 7.558 -1.331 390 HE ARG 60 HE ARG 60 7.152 10.039 -1.356 391 HH11 ARG 60 1HH1 ARG 60 10.021 8.622 -2.727 392 HH12 ARG 60 2HH1 ARG 60 10.033 9.665 -4.110 393 HH21 ARG 60 1HH2 ARG 60 7.157 11.419 -3.173 394 HH22 ARG 60 2HH2 ARG 60 8.404 11.256 -4.362 395 H ALA 61 H ALA 61 4.498 6.940 -1.472 396 HA ALA 61 HA ALA 61 5.089 8.868 -3.472 397 HB1 ALA 61 1HB ALA 61 3.543 7.311 -4.859 398 HB2 ALA 61 2HB ALA 61 5.093 6.701 -4.277 399 HB3 ALA 61 3HB ALA 61 3.604 6.274 -3.433 400 H MET 62 H MET 62 2.161 7.995 -1.712 401 HA MET 62 HA MET 62 0.415 9.633 -3.257 402 HB3 MET 62 2HB MET 62 -1.192 9.256 -1.406 403 HG3 MET 62 2HG MET 62 -1.345 6.836 -1.509 404 HE1 MET 62 3HE MET 62 -3.017 8.309 -2.369 405 HE2 MET 62 1HE MET 62 -2.997 9.162 -3.913 406 HE3 MET 62 2HE MET 62 -3.654 7.529 -3.817 407 H GLY 63 H GLY 63 2.605 10.224 -0.665 408 HA2 GLY 63 2HA GLY 63 3.343 12.392 -0.077 409 HA3 GLY 63 3HA GLY 63 1.833 13.046 -0.693 410 H LEU 64 H LEU 64 1.534 10.289 1.304 411 HA LEU 64 HA LEU 64 0.105 11.787 3.285 412 HB3 LEU 64 2HB LEU 64 -0.451 9.715 4.250 413 HG LEU 64 HG LEU 64 -0.053 8.785 1.424 414 HD11 LEU 64 1HD1 LEU 64 -2.309 8.372 3.377 415 HD12 LEU 64 2HD1 LEU 64 -0.976 7.243 3.135 416 HD13 LEU 64 3HD1 LEU 64 -2.093 7.586 1.813 417 HD21 LEU 64 3HD2 LEU 64 -2.525 9.928 1.428 418 HD22 LEU 64 1HD2 LEU 64 -1.073 10.662 0.748 419 HD23 LEU 64 2HD2 LEU 64 -1.594 11.086 2.379 420 H SER 65 H SER 65 0.734 10.489 5.648 421 HA SER 65 HA SER 65 3.551 10.715 6.190 422 HB3 SER 65 2HB SER 65 1.626 12.862 7.027 423 HG SER 65 HG SER 65 3.944 13.077 8.340 424 H ALA 66 H ALA 66 0.745 11.329 8.274 425 HA ALA 66 HA ALA 66 1.613 9.296 10.121 426 HB1 ALA 66 1HB ALA 66 -0.003 10.116 11.590 427 HB2 ALA 66 2HB ALA 66 0.515 11.544 10.692 428 HB3 ALA 66 3HB ALA 66 -1.005 10.749 10.283 429 H VAL 67 H VAL 67 -0.315 9.344 7.354 430 HA VAL 67 HA VAL 67 -2.347 7.516 7.979 431 HB VAL 67 HB VAL 67 -0.956 7.942 5.330 432 HG11 VAL 67 1HG1 VAL 67 -3.286 6.300 6.153 433 HG12 VAL 67 2HG1 VAL 67 -3.388 7.161 4.615 434 HG13 VAL 67 3HG1 VAL 67 -2.082 6.010 4.899 435 HG21 VAL 67 3HG2 VAL 67 -1.860 10.011 5.875 436 HG22 VAL 67 1HG2 VAL 67 -3.148 9.257 4.936 437 HG23 VAL 67 2HG2 VAL 67 -3.249 9.299 6.697 438 H ALA 68 H ALA 68 1.015 7.064 7.689 439 HA ALA 68 HA ALA 68 1.468 4.617 6.646 440 HB1 ALA 68 1HB ALA 68 2.636 5.133 9.339 441 HB2 ALA 68 2HB ALA 68 3.405 4.524 7.872 442 HB3 ALA 68 3HB ALA 68 3.011 6.237 8.015 443 H MET 69 H MET 69 0.158 2.902 6.777 444 HA MET 69 HA MET 69 -0.951 1.109 7.631 445 HB3 MET 69 2HB MET 69 -0.197 0.145 9.636 446 HG3 MET 69 2HG MET 69 2.227 1.799 9.294 447 HE1 MET 69 3HE MET 69 0.545 -1.338 8.386 448 HE2 MET 69 1HE MET 69 1.902 -2.462 8.310 449 HE3 MET 69 2HE MET 69 0.903 -2.385 9.760 450 HA PRO 70 HA PRO 70 -4.196 3.918 9.294 451 HB3 PRO 70 2HB PRO 70 -5.031 4.222 7.175 452 HG3 PRO 70 2HG PRO 70 -4.652 2.653 5.501 453 HD3 PRO 70 2HD PRO 70 -2.498 2.936 6.274 454 H THR 71 H THR 71 -3.999 0.466 8.818 455 HA THR 71 HA THR 71 -5.066 -0.139 11.349 456 HB THR 71 HB THR 71 -7.199 0.520 10.245 457 HG1 THR 71 1HG THR 71 -7.216 -1.039 11.924 458 HG21 THR 71 3HG2 THR 71 -6.195 -0.858 8.071 459 HG22 THR 71 1HG2 THR 71 -7.849 -0.274 8.254 460 HG23 THR 71 2HG2 THR 71 -7.445 -1.933 8.696 461 H ASN 72 H ASN 72 -5.666 -2.595 11.443 462 HA ASN 72 HA ASN 72 -3.442 -4.086 10.815 463 HB3 ASN 72 2HB ASN 72 -6.234 -5.230 10.984 464 HD21 ASN 72 1HD2 ASN 72 -6.276 -7.331 11.900 465 HD22 ASN 72 2HD2 ASN 72 -4.908 -8.377 11.766 466 H PHE 73 H PHE 73 -2.783 -5.368 9.145 467 HA PHE 73 HA PHE 73 -4.424 -5.277 6.698 468 HB3 PHE 73 2HB PHE 73 -2.101 -5.541 5.556 469 HD1 PHE 73 2HD PHE 73 -4.208 -4.038 4.736 470 HD2 PHE 73 1HD PHE 73 -0.991 -2.736 7.201 471 HE1 PHE 73 2HE PHE 73 -4.618 -1.714 4.039 472 HE2 PHE 73 1HE PHE 73 -1.397 -0.410 6.508 473 HZ PHE 73 HZ PHE 73 -3.211 0.103 4.924 474 H ALA 74 H ALA 74 -2.770 -7.219 8.970 475 HA ALA 74 HA ALA 74 -2.100 -9.486 7.519 476 HB1 ALA 74 1HB ALA 74 -3.255 -9.536 10.298 477 HB2 ALA 74 2HB ALA 74 -2.120 -10.676 9.574 478 HB3 ALA 74 3HB ALA 74 -1.604 -9.029 9.939 479 H THR 75 H THR 75 -5.193 -8.197 8.199 480 HA THR 75 HA THR 75 -6.450 -10.665 7.188 481 HB THR 75 HB THR 75 -7.053 -10.388 9.530 482 HG1 THR 75 1HG THR 75 -9.004 -10.993 8.995 483 HG21 THR 75 3HG2 THR 75 -6.883 -7.700 9.076 484 HG22 THR 75 1HG2 THR 75 -7.611 -8.437 10.503 485 HG23 THR 75 2HG2 THR 75 -8.628 -7.942 9.149 486 H ALA 76 H ALA 76 -5.554 -7.827 6.158 487 HA ALA 76 HA ALA 76 -8.094 -7.105 4.866 488 HB1 ALA 76 1HB ALA 76 -7.251 -4.937 4.531 489 HB2 ALA 76 2HB ALA 76 -6.753 -5.378 6.165 490 HB3 ALA 76 3HB ALA 76 -5.591 -5.445 4.842 491 H THR 77 H THR 77 -7.725 -6.150 2.583 492 HA THR 77 HA THR 77 -5.913 -7.943 1.100 493 HB THR 77 HB THR 77 -7.654 -7.582 -0.801 494 HG1 THR 77 1HG THR 77 -9.271 -7.130 1.506 495 HG21 THR 77 3HG2 THR 77 -7.540 -9.474 1.417 496 HG22 THR 77 1HG2 THR 77 -7.723 -9.770 -0.311 497 HG23 THR 77 2HG2 THR 77 -9.135 -9.379 0.670 498 H VAL 78 H VAL 78 -5.444 -7.100 -1.157 499 HA VAL 78 HA VAL 78 -4.081 -4.690 -1.032 500 HB VAL 78 HB VAL 78 -3.762 -4.832 -3.389 501 HG11 VAL 78 1HG1 VAL 78 -2.485 -6.629 -3.131 502 HG12 VAL 78 2HG1 VAL 78 -3.390 -7.038 -1.673 503 HG13 VAL 78 3HG1 VAL 78 -3.896 -7.683 -3.235 504 HG21 VAL 78 3HG2 VAL 78 -6.014 -5.034 -4.167 505 HG22 VAL 78 1HG2 VAL 78 -5.109 -6.418 -4.777 506 HG23 VAL 78 2HG2 VAL 78 -6.196 -6.612 -3.402 507 H ARG 79 H ARG 79 -7.390 -5.347 -2.017 508 HA ARG 79 HA ARG 79 -7.940 -2.815 -3.146 509 HB3 ARG 79 2HB ARG 79 -9.946 -4.625 -1.806 510 HG3 ARG 79 2HG ARG 79 -10.839 -2.486 -2.593 511 HD3 ARG 79 2HD ARG 79 -9.160 -3.064 -4.859 512 HE ARG 79 HE ARG 79 -10.783 -3.434 -6.413 513 HH11 ARG 79 1HH1 ARG 79 -12.032 -1.241 -4.014 514 HH12 ARG 79 2HH1 ARG 79 -13.530 -0.981 -4.845 515 HH21 ARG 79 1HH2 ARG 79 -12.751 -3.099 -7.515 516 HH22 ARG 79 2HH2 ARG 79 -13.939 -2.038 -6.835 517 H GLU 80 H GLU 80 -8.214 -4.096 0.129 518 HA GLU 80 HA GLU 80 -9.567 -1.866 1.233 519 HB3 GLU 80 2HB GLU 80 -8.339 -2.865 3.389 520 HG3 GLU 80 2HG GLU 80 -10.276 -4.807 2.354 521 H MET 81 H MET 81 -6.133 -2.793 1.190 522 HA MET 81 HA MET 81 -5.180 -0.561 2.608 523 HB3 MET 81 2HB MET 81 -3.784 -2.280 0.551 524 HG3 MET 81 2HG MET 81 -2.447 -0.726 2.735 525 HE1 MET 81 3HE MET 81 -0.996 -2.345 3.454 526 HE2 MET 81 1HE MET 81 -1.324 -3.778 2.480 527 HE3 MET 81 2HE MET 81 0.312 -3.126 2.565 528 H ALA 82 H ALA 82 -5.585 -1.136 -0.865 529 HA ALA 82 HA ALA 82 -4.473 1.340 -1.692 530 HB1 ALA 82 1HB ALA 82 -5.000 0.707 -3.832 531 HB2 ALA 82 2HB ALA 82 -4.977 -0.863 -3.029 532 HB3 ALA 82 3HB ALA 82 -6.513 -0.059 -3.350 533 H GLU 83 H GLU 83 -7.790 0.254 -1.083 534 HA GLU 83 HA GLU 83 -9.047 2.652 -1.908 535 HB3 GLU 83 2HB GLU 83 -10.938 1.743 -0.390 536 HG3 GLU 83 2HG GLU 83 -11.295 -0.275 -1.931 537 H ALA 84 H ALA 84 -7.756 1.538 1.167 538 HA ALA 84 HA ALA 84 -8.840 3.570 2.794 539 HB1 ALA 84 1HB ALA 84 -8.030 2.051 4.219 540 HB2 ALA 84 2HB ALA 84 -6.833 1.467 3.061 541 HB3 ALA 84 3HB ALA 84 -6.494 2.899 4.034 542 H LEU 85 H LEU 85 -5.756 3.317 1.059 543 HA LEU 85 HA LEU 85 -4.734 5.802 1.986 544 HB3 LEU 85 2HB LEU 85 -3.139 5.536 0.058 545 HG LEU 85 HG LEU 85 -3.412 3.152 1.884 546 HD11 LEU 85 1HD1 LEU 85 -1.979 2.159 0.485 547 HD12 LEU 85 2HD1 LEU 85 -0.789 3.286 1.132 548 HD13 LEU 85 3HD1 LEU 85 -1.628 3.659 -0.373 549 HD21 LEU 85 3HD2 LEU 85 -2.778 5.729 2.505 550 HD22 LEU 85 1HD2 LEU 85 -1.189 5.030 2.197 551 HD23 LEU 85 2HD2 LEU 85 -2.249 4.310 3.409 552 H GLU 86 H GLU 86 -6.381 4.797 -0.990 553 HA GLU 86 HA GLU 86 -6.238 7.284 -2.302 554 HB3 GLU 86 2HB GLU 86 -7.015 4.839 -3.073 555 HG3 GLU 86 2HG GLU 86 -9.218 5.252 -1.773 556 H ALA 87 H ALA 87 -8.457 5.986 0.069 557 HA ALA 87 HA ALA 87 -10.512 7.905 -0.238 558 HB1 ALA 87 1HB ALA 87 -10.744 7.153 2.358 559 HB2 ALA 87 2HB ALA 87 -11.378 6.237 0.992 560 HB3 ALA 87 3HB ALA 87 -9.819 5.807 1.694 561 H ARG 88 H ARG 88 -7.643 7.764 1.830 562 HA ARG 88 HA ARG 88 -8.184 10.039 3.381 563 HB3 ARG 88 2HB ARG 88 -5.911 9.954 4.060 564 HG3 ARG 88 2HG ARG 88 -5.722 7.162 3.507 565 HD3 ARG 88 2HD ARG 88 -4.908 8.097 5.543 566 HE ARG 88 HE ARG 88 -6.105 9.824 6.422 567 HH11 ARG 88 1HH1 ARG 88 -8.305 7.251 5.614 568 HH12 ARG 88 2HH1 ARG 88 -9.687 8.043 6.298 569 HH21 ARG 88 1HH2 ARG 88 -7.916 10.877 7.325 570 HH22 ARG 88 2HH2 ARG 88 -9.465 10.105 7.270 571 H GLU 89 H GLU 89 -6.119 9.712 0.491 572 HA GLU 89 HA GLU 89 -5.540 12.456 0.249 573 HB3 GLU 89 2HB GLU 89 -5.031 11.810 -2.179 574 HG3 GLU 89 2HG GLU 89 -3.487 9.817 -0.810 575 H ARG 90 H ARG 90 -8.205 10.496 -0.891 576 HA ARG 90 HA ARG 90 -9.273 12.258 -2.793 577 HB3 ARG 90 2HB ARG 90 -10.645 10.226 -1.028 578 HG3 ARG 90 2HG ARG 90 -11.703 11.342 -3.609 579 HD3 ARG 90 2HD ARG 90 -12.420 9.167 -1.829 580 HE ARG 90 HE ARG 90 -14.344 10.092 -1.027 581 HH11 ARG 90 1HH1 ARG 90 -13.830 11.230 -4.278 582 HH12 ARG 90 2HH1 ARG 90 -15.349 12.059 -4.366 583 HH21 ARG 90 1HH2 ARG 90 -16.345 11.181 -1.132 584 HH22 ARG 90 2HH2 ARG 90 -16.778 12.031 -2.576 585 H GLU 91 H GLU 91 -9.331 12.300 0.669 586 HA GLU 91 HA GLU 91 -10.454 14.935 0.693 587 HB3 GLU 91 2HB GLU 91 -12.045 12.700 1.962 588 HG3 GLU 91 2HG GLU 91 -11.989 15.478 2.553 589 H ALA 92 H ALA 92 -8.182 14.878 1.576 590 HA ALA 92 HA ALA 92 -8.040 13.986 4.360 591 HB1 ALA 92 1HB ALA 92 -6.164 14.133 2.237 592 HB2 ALA 92 2HB ALA 92 -5.612 15.197 3.531 593 HB3 ALA 92 3HB ALA 92 -5.936 13.496 3.866 594 HA PRO 93 HA PRO 93 -8.403 17.980 6.140 595 HB3 PRO 93 2HB PRO 93 -8.062 16.995 8.188 596 HG3 PRO 93 2HG PRO 93 -6.530 15.265 8.445 597 HD3 PRO 93 2HD PRO 93 -7.715 14.479 6.630 598 H HIS 94 H HIS 94 -6.775 19.765 7.168 599 HA HIS 94 HA HIS 94 -5.017 20.480 4.940 600 HB3 HIS 94 2HB HIS 94 -6.635 22.172 5.487 601 HD1 HIS 94 1HD HIS 94 -4.562 22.714 8.594 602 HD2 HIS 94 2HD HIS 94 -8.503 21.990 7.497 603 HE1 HIS 94 1HE HIS 94 -5.911 23.016 10.695 604 H LEU 95 H LEU 95 -4.028 18.485 6.598 605 HA LEU 95 HA LEU 95 -2.097 19.808 8.356 606 HB3 LEU 95 2HB LEU 95 -1.770 16.978 8.311 607 HG LEU 95 HG LEU 95 -1.709 18.804 10.285 608 HD11 LEU 95 1HD1 LEU 95 -3.766 19.274 10.999 609 HD12 LEU 95 2HD1 LEU 95 -3.793 17.640 11.661 610 HD13 LEU 95 3HD1 LEU 95 -4.480 17.958 10.067 611 HD21 LEU 95 3HD2 LEU 95 -0.673 16.636 10.401 612 HD22 LEU 95 1HD2 LEU 95 -2.244 15.847 10.534 613 HD23 LEU 95 2HD2 LEU 95 -1.661 16.875 11.842 614 H GLU 96 H GLU 96 0.109 18.480 8.347 615 HA GLU 96 HA GLU 96 0.983 17.731 5.695 616 HB3 GLU 96 2HB GLU 96 2.548 19.945 6.952 617 HG3 GLU 96 2HG GLU 96 2.232 18.785 4.238 618 H HIS 97 H HIS 97 2.454 18.913 8.726 619 HA HIS 97 HA HIS 97 3.951 17.974 10.158 620 HB3 HIS 97 2HB HIS 97 3.824 15.206 9.513 621 HD1 HIS 97 1HD HIS 97 4.927 15.216 11.859 622 HD2 HIS 97 2HD HIS 97 1.027 16.644 11.800 623 HE1 HIS 97 1HE HIS 97 4.205 15.299 14.267 624 H HIS 98 H HIS 98 5.852 18.735 9.337 625 HA HIS 98 HA HIS 98 7.877 18.734 8.297 626 HB3 HIS 98 2HB HIS 98 8.108 15.899 7.753 627 HD1 HIS 98 1HD HIS 98 9.067 18.518 10.347 628 HD2 HIS 98 2HD HIS 98 10.758 15.484 8.067 629 HE1 HIS 98 1HE HIS 98 11.531 18.600 10.840 630 H HIS 99 H HIS 99 9.064 17.434 6.298 631 HA HIS 99 HA HIS 99 7.151 17.246 4.088 632 HB3 HIS 99 2HB HIS 99 9.571 18.633 3.273 633 HD1 HIS 99 1HD HIS 99 8.433 18.408 0.972 634 HD2 HIS 99 2HD HIS 99 6.208 20.546 3.755 635 HE1 HIS 99 1HE HIS 99 6.603 19.523 -0.344 636 H HIS 100 H HIS 100 7.470 15.342 3.164 637 HA HIS 100 HA HIS 100 10.034 14.001 3.391 638 HB3 HIS 100 2HB HIS 100 8.726 12.173 2.109 639 HD1 HIS 100 1HD HIS 100 8.761 13.902 5.356 640 HD2 HIS 100 2HD HIS 100 7.466 10.255 3.842 641 HE1 HIS 100 1HE HIS 100 8.373 12.439 7.365 642 H HIS 101 H HIS 101 11.243 13.227 1.618 643 HA HIS 101 HA HIS 101 10.584 13.846 -1.078 644 HB3 HIS 101 2HB HIS 101 11.132 16.111 -0.478 645 HD1 HIS 101 1HD HIS 101 14.593 14.621 -0.006 646 HD2 HIS 101 2HD HIS 101 11.923 17.178 1.891 647 HE1 HIS 101 1HE HIS 101 15.838 15.546 1.974 648 H HIS 102 H HIS 102 11.501 11.610 0.514 649 HA HIS 102 HA HIS 102 14.225 11.052 0.154 650 HB3 HIS 102 2HB HIS 102 12.026 8.985 0.143 651 HD1 HIS 102 1HD HIS 102 12.900 6.673 0.451 652 HD2 HIS 102 2HD HIS 102 15.782 9.559 1.240 653 HE1 HIS 102 1HE HIS 102 15.040 5.404 0.814 Start of MODEL 3 1 H1 MET 1 H MET 1 -12.207 -12.445 -14.598 2 HA MET 1 HA MET 1 -10.901 -10.024 -15.369 3 HB3 MET 1 2HB MET 1 -9.032 -11.054 -13.877 4 HG3 MET 1 2HG MET 1 -11.756 -10.298 -12.895 5 HE1 MET 1 3HE MET 1 -11.087 -8.726 -10.401 6 HE2 MET 1 1HE MET 1 -12.383 -9.921 -10.349 7 HE3 MET 1 2HE MET 1 -11.159 -9.892 -9.078 8 H ALA 2 H ALA 2 -10.295 -10.101 -17.503 9 HA ALA 2 HA ALA 2 -8.213 -12.078 -18.170 10 HB1 ALA 2 1HB ALA 2 -10.027 -12.730 -19.495 11 HB2 ALA 2 2HB ALA 2 -10.476 -11.062 -19.858 12 HB3 ALA 2 3HB ALA 2 -9.023 -11.761 -20.574 13 H ARG 3 H ARG 3 -9.502 -9.109 -19.665 14 HA ARG 3 HA ARG 3 -6.743 -8.170 -19.997 15 HB3 ARG 3 2HB ARG 3 -7.921 -6.452 -21.517 16 HG3 ARG 3 2HG ARG 3 -6.677 -8.550 -22.281 17 HD3 ARG 3 2HD ARG 3 -9.477 -9.507 -22.163 18 HE ARG 3 HE ARG 3 -8.006 -10.908 -24.171 19 HH11 ARG 3 1HH1 ARG 3 -10.132 -8.209 -23.608 20 HH12 ARG 3 2HH1 ARG 3 -10.754 -8.194 -25.224 21 HH21 ARG 3 1HH2 ARG 3 -8.818 -10.898 -26.302 22 HH22 ARG 3 2HH2 ARG 3 -10.005 -9.724 -26.756 23 H ALA 4 H ALA 4 -8.062 -8.034 -17.435 24 HA ALA 4 HA ALA 4 -8.789 -5.249 -17.063 25 HB1 ALA 4 1HB ALA 4 -10.113 -6.586 -15.730 26 HB2 ALA 4 2HB ALA 4 -8.787 -7.677 -15.323 27 HB3 ALA 4 3HB ALA 4 -8.866 -6.073 -14.594 28 H ASP 5 H ASP 5 -6.030 -7.309 -16.665 29 HA ASP 5 HA ASP 5 -4.584 -5.115 -15.331 30 HB3 ASP 5 2HB ASP 5 -4.268 -6.815 -13.834 31 H ASP 6 H ASP 6 -3.593 -7.942 -17.254 32 HA ASP 6 HA ASP 6 -2.205 -8.156 -19.044 33 HB3 ASP 6 2HB ASP 6 -2.937 -5.293 -19.678 34 H THR 7 H THR 7 -0.180 -7.262 -20.074 35 HA THR 7 HA THR 7 1.815 -6.866 -18.260 36 HB THR 7 HB THR 7 2.887 -5.503 -20.329 37 HG1 THR 7 1HG THR 7 1.473 -5.482 -21.904 38 HG21 THR 7 3HG2 THR 7 2.879 -8.164 -19.374 39 HG22 THR 7 1HG2 THR 7 4.098 -7.372 -20.372 40 HG23 THR 7 2HG2 THR 7 2.767 -8.244 -21.132 41 H ALA 8 H ALA 8 3.165 -4.997 -17.774 42 HA ALA 8 HA ALA 8 3.509 -2.886 -16.994 43 HB1 ALA 8 1HB ALA 8 1.358 -1.606 -18.524 44 HB2 ALA 8 2HB ALA 8 3.079 -1.226 -18.442 45 HB3 ALA 8 3HB ALA 8 2.511 -2.524 -19.492 46 H LEU 9 H LEU 9 1.699 -0.776 -16.555 47 HA LEU 9 HA LEU 9 0.541 -1.569 -14.110 48 HB3 LEU 9 2HB LEU 9 -0.671 0.720 -14.414 49 HG LEU 9 HG LEU 9 1.284 2.042 -13.840 50 HD11 LEU 9 1HD1 LEU 9 1.452 -0.672 -12.545 51 HD12 LEU 9 2HD1 LEU 9 0.236 0.544 -12.160 52 HD13 LEU 9 3HD1 LEU 9 1.941 0.874 -11.852 53 HD21 LEU 9 3HD2 LEU 9 2.720 0.732 -15.567 54 HD22 LEU 9 1HD2 LEU 9 3.045 -0.344 -14.207 55 HD23 LEU 9 2HD2 LEU 9 3.474 1.364 -14.103 56 HA PRO 10 HA PRO 10 -3.413 -3.107 -15.248 57 HB3 PRO 10 2HB PRO 10 -3.684 -3.673 -13.037 58 HG3 PRO 10 2HG PRO 10 -2.861 -2.312 -11.341 59 HD3 PRO 10 2HD PRO 10 -0.982 -2.475 -12.667 60 H ALA 11 H ALA 11 -3.248 0.248 -14.139 61 HA ALA 11 HA ALA 11 -4.694 1.256 -16.329 62 HB1 ALA 11 1HB ALA 11 -6.451 1.856 -14.111 63 HB2 ALA 11 2HB ALA 11 -6.833 1.238 -15.718 64 HB3 ALA 11 3HB ALA 11 -6.373 0.123 -14.431 65 H ALA 12 H ALA 12 -5.558 3.602 -15.703 66 HA ALA 12 HA ALA 12 -3.256 4.962 -14.607 67 HB1 ALA 12 1HB ALA 12 -3.892 6.272 -16.310 68 HB2 ALA 12 2HB ALA 12 -5.551 5.675 -16.280 69 HB3 ALA 12 3HB ALA 12 -5.047 6.937 -15.155 70 H THR 13 H THR 13 -5.839 3.559 -13.206 71 HA THR 13 HA THR 13 -7.217 5.096 -11.552 72 HB THR 13 HB THR 13 -7.541 2.941 -10.918 73 HG1 THR 13 1HG THR 13 -7.171 3.832 -8.928 74 HG21 THR 13 3HG2 THR 13 -5.386 1.471 -10.409 75 HG22 THR 13 1HG2 THR 13 -4.638 2.645 -11.492 76 HG23 THR 13 2HG2 THR 13 -6.005 1.677 -12.048 77 H GLY 14 H GLY 14 -3.938 4.075 -10.561 78 HA2 GLY 14 2HA GLY 14 -2.305 5.747 -9.880 79 HA3 GLY 14 3HA GLY 14 -3.639 6.704 -9.253 80 H ALA 15 H ALA 15 -4.705 5.995 -7.325 81 HA ALA 15 HA ALA 15 -2.943 5.093 -5.329 82 HB1 ALA 15 1HB ALA 15 -4.795 5.209 -3.833 83 HB2 ALA 15 2HB ALA 15 -4.955 6.539 -4.980 84 HB3 ALA 15 3HB ALA 15 -5.950 5.094 -5.161 85 H LEU 16 H LEU 16 -5.458 3.434 -7.174 86 HA LEU 16 HA LEU 16 -5.347 1.003 -5.719 87 HB3 LEU 16 2HB LEU 16 -6.095 0.893 -8.569 88 HG LEU 16 HG LEU 16 -8.117 -0.171 -7.817 89 HD11 LEU 16 1HD1 LEU 16 -5.638 -1.242 -7.615 90 HD12 LEU 16 2HD1 LEU 16 -7.136 -2.141 -7.376 91 HD13 LEU 16 3HD1 LEU 16 -6.256 -1.511 -5.984 92 HD21 LEU 16 3HD2 LEU 16 -7.185 0.601 -5.058 93 HD22 LEU 16 1HD2 LEU 16 -8.466 -0.569 -5.374 94 HD23 LEU 16 2HD2 LEU 16 -8.662 1.110 -5.878 95 H GLU 17 H GLU 17 -3.828 2.083 -8.740 96 HA GLU 17 HA GLU 17 -2.471 -0.370 -9.221 97 HB3 GLU 17 2HB GLU 17 -3.014 1.444 -10.920 98 HG3 GLU 17 2HG GLU 17 -0.555 2.678 -9.706 99 H LEU 18 H LEU 18 -1.680 2.572 -7.490 100 HA LEU 18 HA LEU 18 1.087 2.157 -7.208 101 HB3 LEU 18 2HB LEU 18 -0.733 3.522 -5.234 102 HG LEU 18 HG LEU 18 2.198 3.694 -5.723 103 HD11 LEU 18 1HD1 LEU 18 0.508 5.975 -5.821 104 HD12 LEU 18 2HD1 LEU 18 2.270 5.905 -5.832 105 HD13 LEU 18 3HD1 LEU 18 1.401 6.008 -4.301 106 HD21 LEU 18 3HD2 LEU 18 0.563 2.872 -3.641 107 HD22 LEU 18 1HD2 LEU 18 1.151 4.455 -3.133 108 HD23 LEU 18 2HD2 LEU 18 2.298 3.184 -3.558 109 H VAL 19 H VAL 19 -1.585 1.410 -4.970 110 HA VAL 19 HA VAL 19 0.001 0.132 -3.028 111 HB VAL 19 HB VAL 19 -2.913 0.180 -3.649 112 HG11 VAL 19 1HG1 VAL 19 -3.276 -1.383 -1.703 113 HG12 VAL 19 2HG1 VAL 19 -2.684 -2.135 -3.187 114 HG13 VAL 19 3HG1 VAL 19 -1.576 -1.827 -1.849 115 HG21 VAL 19 3HG2 VAL 19 -2.687 1.819 -2.150 116 HG22 VAL 19 1HG2 VAL 19 -2.492 0.546 -0.945 117 HG23 VAL 19 2HG2 VAL 19 -1.072 1.281 -1.689 118 H ARG 20 H ARG 20 -1.990 -1.230 -5.650 119 HA ARG 20 HA ARG 20 -1.422 -3.921 -5.173 120 HB3 ARG 20 2HB ARG 20 -1.824 -4.020 -7.790 121 HG3 ARG 20 2HG ARG 20 -3.927 -3.178 -5.809 122 HD3 ARG 20 2HD ARG 20 -4.515 -2.789 -8.241 123 HE ARG 20 HE ARG 20 -3.808 -5.562 -8.472 124 HH11 ARG 20 1HH1 ARG 20 -5.822 -3.014 -9.727 125 HH12 ARG 20 2HH1 ARG 20 -6.010 -3.752 -11.282 126 HH21 ARG 20 1HH2 ARG 20 -4.050 -6.544 -10.517 127 HH22 ARG 20 2HH2 ARG 20 -5.003 -5.760 -11.731 128 H HIS 21 H HIS 21 0.312 -1.506 -7.073 129 HA HIS 21 HA HIS 21 2.172 -3.249 -8.271 130 HB3 HIS 21 2HB HIS 21 2.542 -0.332 -7.551 131 HD1 HIS 21 1HD HIS 21 4.000 -3.240 -9.394 132 HD2 HIS 21 2HD HIS 21 4.630 0.847 -8.995 133 HE1 HIS 21 1HE HIS 21 6.239 -2.799 -10.451 134 H LEU 22 H LEU 22 2.523 -1.146 -5.411 135 HA LEU 22 HA LEU 22 5.080 -1.956 -4.674 136 HB3 LEU 22 2HB LEU 22 4.410 -1.225 -2.371 137 HG LEU 22 HG LEU 22 3.517 0.760 -4.459 138 HD11 LEU 22 1HD1 LEU 22 2.917 1.666 -2.418 139 HD12 LEU 22 2HD1 LEU 22 4.544 2.305 -2.652 140 HD13 LEU 22 3HD1 LEU 22 4.282 0.934 -1.573 141 HD21 LEU 22 3HD2 LEU 22 6.127 1.323 -3.644 142 HD22 LEU 22 1HD2 LEU 22 5.604 0.727 -5.221 143 HD23 LEU 22 2HD2 LEU 22 6.103 -0.411 -3.969 144 H VAL 23 H VAL 23 1.950 -3.406 -4.000 145 HA VAL 23 HA VAL 23 2.914 -5.313 -2.111 146 HB VAL 23 HB VAL 23 0.361 -4.826 -3.525 147 HG11 VAL 23 1HG1 VAL 23 -0.468 -7.080 -2.644 148 HG12 VAL 23 2HG1 VAL 23 0.476 -7.083 -4.135 149 HG13 VAL 23 3HG1 VAL 23 1.231 -7.549 -2.610 150 HG21 VAL 23 3HG2 VAL 23 1.280 -4.350 -1.028 151 HG22 VAL 23 1HG2 VAL 23 -0.429 -4.506 -1.438 152 HG23 VAL 23 2HG2 VAL 23 0.450 -5.887 -0.780 153 H ALA 24 H ALA 24 2.026 -5.524 -5.552 154 HA ALA 24 HA ALA 24 2.575 -8.226 -5.937 155 HB1 ALA 24 1HB ALA 24 3.010 -7.500 -8.352 156 HB2 ALA 24 2HB ALA 24 1.424 -7.149 -7.662 157 HB3 ALA 24 3HB ALA 24 2.632 -5.870 -7.793 158 H GLU 25 H GLU 25 4.721 -5.418 -6.355 159 HA GLU 25 HA GLU 25 6.983 -6.883 -7.175 160 HB3 GLU 25 2HB GLU 25 8.260 -4.849 -6.557 161 HG3 GLU 25 2HG GLU 25 6.015 -3.462 -7.716 162 H ARG 26 H ARG 26 5.596 -6.279 -4.058 163 HA ARG 26 HA ARG 26 7.959 -6.965 -2.568 164 HB3 ARG 26 2HB ARG 26 6.154 -7.131 -0.678 165 HG3 ARG 26 2HG ARG 26 5.853 -4.472 -0.983 166 HD3 ARG 26 2HD ARG 26 7.171 -5.953 0.717 167 HE ARG 26 HE ARG 26 9.114 -5.903 -1.205 168 HH11 ARG 26 1HH1 ARG 26 8.843 -4.761 2.073 169 HH12 ARG 26 2HH1 ARG 26 10.531 -4.950 2.416 170 HH21 ARG 26 1HH2 ARG 26 11.338 -6.156 -0.766 171 HH22 ARG 26 2HH2 ARG 26 11.949 -5.743 0.800 172 H ALA 27 H ALA 27 5.191 -8.636 -3.855 173 HA ALA 27 HA ALA 27 5.751 -11.053 -2.334 174 HB1 ALA 27 1HB ALA 27 3.834 -11.845 -4.013 175 HB2 ALA 27 2HB ALA 27 3.494 -10.958 -2.526 176 HB3 ALA 27 3HB ALA 27 3.548 -10.105 -4.069 177 H GLU 28 H GLU 28 7.367 -9.738 -4.699 178 HA GLU 28 HA GLU 28 8.777 -10.489 -6.318 179 HB3 GLU 28 2HB GLU 28 8.227 -13.349 -5.738 180 HG3 GLU 28 2HG GLU 28 10.228 -12.122 -7.046 181 H LEU 29 H LEU 29 5.869 -10.212 -6.787 182 HA LEU 29 HA LEU 29 5.711 -11.867 -9.215 183 HB3 LEU 29 2HB LEU 29 3.141 -11.616 -8.782 184 HG LEU 29 HG LEU 29 4.770 -13.585 -7.176 185 HD11 LEU 29 1HD1 LEU 29 2.519 -13.325 -6.260 186 HD12 LEU 29 2HD1 LEU 29 2.724 -14.894 -7.037 187 HD13 LEU 29 3HD1 LEU 29 1.833 -13.613 -7.859 188 HD21 LEU 29 3HD2 LEU 29 5.151 -13.748 -9.572 189 HD22 LEU 29 1HD2 LEU 29 3.411 -13.809 -9.860 190 HD23 LEU 29 2HD2 LEU 29 4.208 -15.126 -9.000 191 HA PRO 30 HA PRO 30 4.945 -8.178 -11.465 192 HB3 PRO 30 2HB PRO 30 4.898 -9.471 -13.364 193 HG3 PRO 30 2HG PRO 30 3.930 -11.586 -13.352 194 HD3 PRO 30 2HD PRO 30 5.295 -11.762 -11.502 195 H VAL 31 H VAL 31 3.540 -6.453 -11.643 196 HA VAL 31 HA VAL 31 1.343 -6.387 -9.832 197 HB VAL 31 HB VAL 31 2.696 -4.395 -10.248 198 HG11 VAL 31 1HG1 VAL 31 2.865 -5.018 -12.776 199 HG12 VAL 31 2HG1 VAL 31 1.416 -4.021 -12.919 200 HG13 VAL 31 3HG1 VAL 31 2.906 -3.327 -12.278 201 HG21 VAL 31 3HG2 VAL 31 0.962 -3.059 -9.783 202 HG22 VAL 31 1HG2 VAL 31 0.181 -3.391 -11.329 203 HG23 VAL 31 2HG2 VAL 31 -0.036 -4.500 -9.975 204 H GLU 32 H GLU 32 1.635 -7.405 -13.042 205 HA GLU 32 HA GLU 32 -1.050 -6.723 -13.858 206 HB3 GLU 32 2HB GLU 32 0.940 -6.916 -15.418 207 HG3 GLU 32 2HG GLU 32 1.089 -9.519 -14.380 208 H VAL 33 H VAL 33 0.489 -9.273 -12.172 209 HA VAL 33 HA VAL 33 -1.786 -11.078 -12.618 210 HB VAL 33 HB VAL 33 0.751 -11.769 -12.795 211 HG11 VAL 33 1HG1 VAL 33 0.304 -12.442 -9.911 212 HG12 VAL 33 2HG1 VAL 33 1.806 -12.446 -10.838 213 HG13 VAL 33 3HG1 VAL 33 1.057 -10.917 -10.377 214 HG21 VAL 33 3HG2 VAL 33 -0.887 -13.700 -11.232 215 HG22 VAL 33 1HG2 VAL 33 -1.507 -13.134 -12.783 216 HG23 VAL 33 2HG2 VAL 33 0.055 -13.948 -12.702 217 H LEU 34 H LEU 34 -0.826 -8.729 -10.514 218 HA LEU 34 HA LEU 34 -1.424 -9.910 -8.001 219 HB3 LEU 34 2HB LEU 34 -1.843 -7.004 -8.418 220 HG LEU 34 HG LEU 34 -0.274 -6.798 -6.488 221 HD11 LEU 34 1HD1 LEU 34 -1.893 -7.690 -4.817 222 HD12 LEU 34 2HD1 LEU 34 -2.772 -8.447 -6.147 223 HD13 LEU 34 3HD1 LEU 34 -2.625 -6.691 -6.073 224 HD21 LEU 34 3HD2 LEU 34 0.430 -8.682 -5.261 225 HD22 LEU 34 1HD2 LEU 34 0.798 -9.051 -6.946 226 HD23 LEU 34 2HD2 LEU 34 -0.616 -9.769 -6.176 227 H ARG 35 H ARG 35 -3.336 -10.519 -7.258 228 HA ARG 35 HA ARG 35 -5.764 -9.764 -8.611 229 HB3 ARG 35 2HB ARG 35 -6.045 -11.168 -6.054 230 HG3 ARG 35 2HG ARG 35 -7.656 -11.042 -8.092 231 HD3 ARG 35 2HD ARG 35 -7.283 -13.368 -9.291 232 HE ARG 35 HE ARG 35 -6.897 -10.788 -10.146 233 HH11 ARG 35 1HH1 ARG 35 -5.501 -13.899 -10.845 234 HH12 ARG 35 2HH1 ARG 35 -5.109 -13.500 -12.484 235 HH21 ARG 35 1HH2 ARG 35 -6.386 -10.250 -12.304 236 HH22 ARG 35 2HH2 ARG 35 -5.612 -11.425 -13.312 237 H ASP 36 H ASP 36 -7.465 -8.564 -7.793 238 HA ASP 36 HA ASP 36 -6.757 -6.453 -6.009 239 HB3 ASP 36 2HB ASP 36 -9.064 -5.678 -6.347 240 H ASP 37 H ASP 37 -8.333 -9.518 -5.664 241 HA ASP 37 HA ASP 37 -9.248 -8.842 -2.964 242 HB3 ASP 37 2HB ASP 37 -10.438 -11.006 -3.049 243 H SER 38 H SER 38 -6.406 -9.429 -3.967 244 HA SER 38 HA SER 38 -5.657 -11.862 -2.646 245 HB3 SER 38 2HB SER 38 -4.489 -10.336 -4.579 246 HG SER 38 HG SER 38 -2.875 -9.982 -2.280 247 H ARG 39 H ARG 39 -5.011 -12.163 -0.603 248 HA ARG 39 HA ARG 39 -5.198 -9.931 1.237 249 HB3 ARG 39 2HB ARG 39 -5.190 -11.552 2.978 250 HG3 ARG 39 2HG ARG 39 -6.508 -13.354 1.081 251 HD3 ARG 39 2HD ARG 39 -6.719 -12.786 3.736 252 HE ARG 39 HE ARG 39 -8.232 -10.772 2.655 253 HH11 ARG 39 1HH1 ARG 39 -8.840 -13.548 4.665 254 HH12 ARG 39 2HH1 ARG 39 -10.176 -12.818 5.493 255 HH21 ARG 39 1HH2 ARG 39 -9.989 -9.801 3.738 256 HH22 ARG 39 2HH2 ARG 39 -10.829 -10.687 4.965 257 H PHE 40 H PHE 40 -3.547 -9.541 2.874 258 HA PHE 40 HA PHE 40 -0.905 -9.543 1.679 259 HB3 PHE 40 2HB PHE 40 -0.290 -8.040 3.488 260 HD1 PHE 40 1HD PHE 40 -0.664 -7.214 0.962 261 HD2 PHE 40 2HD PHE 40 -3.452 -6.801 4.152 262 HE1 PHE 40 1HE PHE 40 -1.731 -5.336 -0.217 263 HE2 PHE 40 2HE PHE 40 -4.523 -4.924 2.978 264 HZ PHE 40 HZ PHE 40 -3.664 -4.190 0.790 265 H LEU 41 H LEU 41 -2.208 -12.022 2.776 266 HA LEU 41 HA LEU 41 0.131 -13.030 4.129 267 HB3 LEU 41 2HB LEU 41 -1.576 -14.040 5.898 268 HG LEU 41 HG LEU 41 -0.453 -11.255 6.211 269 HD11 LEU 41 1HD1 LEU 41 -0.542 -11.990 8.675 270 HD12 LEU 41 2HD1 LEU 41 -1.734 -13.168 8.129 271 HD13 LEU 41 3HD1 LEU 41 -2.034 -11.445 7.907 272 HD21 LEU 41 3HD2 LEU 41 1.532 -12.164 6.741 273 HD22 LEU 41 1HD2 LEU 41 0.953 -13.533 5.793 274 HD23 LEU 41 2HD2 LEU 41 0.801 -13.551 7.550 275 H ASP 42 H ASP 42 -3.200 -13.625 3.096 276 HA ASP 42 HA ASP 42 -3.095 -16.423 3.023 277 HB3 ASP 42 2HB ASP 42 -4.681 -14.694 1.122 278 H ASP 43 H ASP 43 -2.550 -14.072 0.403 279 HA ASP 43 HA ASP 43 -1.195 -16.203 -1.111 280 HB3 ASP 43 2HB ASP 43 -1.633 -14.044 -2.837 281 H LEU 44 H LEU 44 -1.066 -12.661 -0.688 282 HA LEU 44 HA LEU 44 1.516 -12.299 -1.672 283 HB3 LEU 44 2HB LEU 44 1.493 -10.160 -0.572 284 HG LEU 44 HG LEU 44 -1.275 -10.882 -1.520 285 HD11 LEU 44 1HD1 LEU 44 -1.561 -8.391 -1.711 286 HD12 LEU 44 2HD1 LEU 44 -0.141 -8.225 -0.679 287 HD13 LEU 44 3HD1 LEU 44 -1.584 -9.034 -0.068 288 HD21 LEU 44 3HD2 LEU 44 0.290 -11.008 -3.293 289 HD22 LEU 44 1HD2 LEU 44 1.102 -9.530 -2.777 290 HD23 LEU 44 2HD2 LEU 44 -0.523 -9.450 -3.458 291 H HIS 45 H HIS 45 0.426 -13.532 1.365 292 HA HIS 45 HA HIS 45 1.500 -14.177 3.275 293 HB3 HIS 45 2HB HIS 45 3.874 -14.712 1.497 294 HD1 HIS 45 1HD HIS 45 1.786 -16.923 3.759 295 HD2 HIS 45 2HD HIS 45 5.647 -15.422 3.441 296 HE1 HIS 45 1HE HIS 45 3.104 -18.067 5.571 297 H MET 46 H MET 46 1.498 -11.691 3.611 298 HA MET 46 HA MET 46 4.281 -10.845 4.088 299 HB3 MET 46 2HB MET 46 3.706 -8.590 3.630 300 HG3 MET 46 2HG MET 46 2.006 -9.289 1.468 301 HE1 MET 46 3HE MET 46 2.208 -7.600 0.084 302 HE2 MET 46 1HE MET 46 3.648 -6.832 -0.587 303 HE3 MET 46 2HE MET 46 3.191 -8.455 -1.107 304 H SER 47 H SER 47 4.620 -11.184 6.197 305 HA SER 47 HA SER 47 2.716 -11.271 8.216 306 HB3 SER 47 2HB SER 47 4.592 -11.052 9.786 307 HG SER 47 HG SER 47 4.456 -13.053 8.812 308 H SER 48 H SER 48 2.469 -9.784 10.064 309 HA SER 48 HA SER 48 1.455 -7.340 9.376 310 HB3 SER 48 2HB SER 48 2.781 -7.566 12.046 311 HG SER 48 HG SER 48 0.276 -7.067 12.311 312 H ILE 49 H ILE 49 4.772 -8.104 10.302 313 HA ILE 49 HA ILE 49 5.657 -5.384 10.304 314 HB ILE 49 HB ILE 49 7.229 -7.960 10.174 315 HG13 ILE 49 2HG1 ILE 49 7.702 -7.450 12.559 316 HG21 ILE 49 1HG2 ILE 49 8.744 -5.798 11.222 317 HG22 ILE 49 2HG2 ILE 49 9.055 -6.767 9.783 318 HG23 ILE 49 3HG2 ILE 49 8.077 -5.305 9.666 319 HD11 ILE 49 3HD1 ILE 49 6.934 -4.932 12.138 320 HD12 ILE 49 1HD1 ILE 49 5.414 -5.598 12.734 321 HD13 ILE 49 2HD1 ILE 49 6.871 -5.707 13.721 322 H THR 50 H THR 50 5.760 -8.048 7.984 323 HA THR 50 HA THR 50 7.375 -6.799 6.051 324 HB THR 50 HB THR 50 5.218 -8.882 5.651 325 HG1 THR 50 1HG THR 50 6.841 -10.341 5.957 326 HG21 THR 50 3HG2 THR 50 6.060 -7.532 3.617 327 HG22 THR 50 1HG2 THR 50 6.069 -9.292 3.516 328 HG23 THR 50 2HG2 THR 50 7.568 -8.420 3.843 329 H VAL 51 H VAL 51 3.888 -6.755 6.591 330 HA VAL 51 HA VAL 51 3.155 -5.440 4.212 331 HB VAL 51 HB VAL 51 1.693 -5.088 6.818 332 HG11 VAL 51 1HG1 VAL 51 0.987 -5.007 3.913 333 HG12 VAL 51 2HG1 VAL 51 -0.247 -5.383 5.117 334 HG13 VAL 51 3HG1 VAL 51 0.617 -3.847 5.188 335 HG21 VAL 51 3HG2 VAL 51 0.676 -7.317 5.371 336 HG22 VAL 51 1HG2 VAL 51 2.402 -7.564 5.636 337 HG23 VAL 51 2HG2 VAL 51 1.332 -7.271 7.007 338 H GLY 52 H GLY 52 3.806 -4.161 7.473 339 HA2 GLY 52 2HA GLY 52 3.339 -1.464 6.919 340 HA3 GLY 52 3HA GLY 52 4.407 -2.062 8.179 341 H GLN 53 H GLN 53 6.087 -3.467 6.161 342 HA GLN 53 HA GLN 53 7.990 -1.428 5.761 343 HB3 GLN 53 2HB GLN 53 9.255 -3.090 4.512 344 HG3 GLN 53 2HG GLN 53 8.476 -5.143 6.211 345 HE21 GLN 53 1HE2 GLN 53 10.603 -5.607 5.637 346 HE22 GLN 53 2HE2 GLN 53 11.946 -4.816 6.382 347 H LEU 54 H LEU 54 5.796 -3.068 3.496 348 HA LEU 54 HA LEU 54 6.597 -1.361 1.310 349 HB3 LEU 54 2HB LEU 54 5.768 -3.838 1.271 350 HG LEU 54 HG LEU 54 3.417 -3.018 2.169 351 HD11 LEU 54 1HD1 LEU 54 3.408 -1.535 -0.041 352 HD12 LEU 54 2HD1 LEU 54 1.936 -2.213 0.654 353 HD13 LEU 54 3HD1 LEU 54 2.718 -3.014 -0.708 354 HD21 LEU 54 3HD2 LEU 54 2.574 -4.893 0.362 355 HD22 LEU 54 1HD2 LEU 54 3.333 -5.238 1.916 356 HD23 LEU 54 2HD2 LEU 54 4.309 -5.203 0.447 357 H VAL 55 H VAL 55 3.978 -1.558 3.619 358 HA VAL 55 HA VAL 55 2.120 0.128 2.387 359 HB VAL 55 HB VAL 55 2.124 -1.257 4.704 360 HG11 VAL 55 1HG1 VAL 55 2.172 0.099 6.607 361 HG12 VAL 55 2HG1 VAL 55 3.569 0.632 5.667 362 HG13 VAL 55 3HG1 VAL 55 2.085 1.585 5.662 363 HG21 VAL 55 3HG2 VAL 55 -0.047 -0.204 5.169 364 HG22 VAL 55 1HG2 VAL 55 0.344 1.082 4.027 365 HG23 VAL 55 2HG2 VAL 55 0.152 -0.576 3.457 366 H ASN 56 H ASN 56 5.074 0.835 4.089 367 HA ASN 56 HA ASN 56 4.558 3.581 4.600 368 HB3 ASN 56 2HB ASN 56 7.295 3.401 4.433 369 HD21 ASN 56 1HD2 ASN 56 6.989 1.367 6.891 370 HD22 ASN 56 2HD2 ASN 56 6.557 2.454 8.163 371 H GLU 57 H GLU 57 6.156 1.850 1.960 372 HA GLU 57 HA GLU 57 7.088 4.095 0.556 373 HB3 GLU 57 2HB GLU 57 6.199 1.716 -0.988 374 HG3 GLU 57 2HG GLU 57 7.589 3.350 -2.093 375 H ALA 58 H ALA 58 3.981 2.459 0.568 376 HA ALA 58 HA ALA 58 2.856 3.656 -1.706 377 HB1 ALA 58 1HB ALA 58 1.836 2.235 0.670 378 HB2 ALA 58 2HB ALA 58 0.683 3.266 -0.178 379 HB3 ALA 58 3HB ALA 58 1.509 1.970 -1.043 380 H ALA 59 H ALA 59 2.609 4.598 1.723 381 HA ALA 59 HA ALA 59 1.066 6.899 1.340 382 HB1 ALA 59 1HB ALA 59 2.567 5.692 3.501 383 HB2 ALA 59 2HB ALA 59 2.656 7.453 3.542 384 HB3 ALA 59 3HB ALA 59 1.087 6.648 3.551 385 H ARG 60 H ARG 60 4.537 6.380 1.146 386 HA ARG 60 HA ARG 60 5.386 9.045 1.144 387 HB3 ARG 60 2HB ARG 60 6.779 7.088 -0.615 388 HG3 ARG 60 2HG ARG 60 7.564 9.448 0.393 389 HD3 ARG 60 2HD ARG 60 7.584 7.779 2.638 390 HE ARG 60 HE ARG 60 9.670 6.832 2.488 391 HH11 ARG 60 1HH1 ARG 60 9.840 10.177 1.535 392 HH12 ARG 60 2HH1 ARG 60 11.571 10.211 1.487 393 HH21 ARG 60 1HH2 ARG 60 11.950 6.864 2.428 394 HH22 ARG 60 2HH2 ARG 60 12.770 8.326 1.995 395 H ALA 61 H ALA 61 4.436 6.939 -1.551 396 HA ALA 61 HA ALA 61 4.890 8.883 -3.572 397 HB1 ALA 61 1HB ALA 61 3.295 7.294 -4.876 398 HB2 ALA 61 2HB ALA 61 4.897 6.730 -4.399 399 HB3 ALA 61 3HB ALA 61 3.479 6.253 -3.464 400 H MET 62 H MET 62 2.052 7.915 -1.705 401 HA MET 62 HA MET 62 0.207 9.530 -3.146 402 HB3 MET 62 2HB MET 62 -1.308 9.104 -1.237 403 HG3 MET 62 2HG MET 62 -1.393 6.680 -1.320 404 HE1 MET 62 3HE MET 62 -3.293 8.113 -2.351 405 HE2 MET 62 1HE MET 62 -3.704 7.852 -4.047 406 HE3 MET 62 2HE MET 62 -3.537 6.475 -2.960 407 H GLY 63 H GLY 63 2.520 10.170 -0.683 408 HA2 GLY 63 2HA GLY 63 3.234 12.296 -0.013 409 HA3 GLY 63 3HA GLY 63 1.775 12.982 -0.712 410 H LEU 64 H LEU 64 1.791 10.290 1.537 411 HA LEU 64 HA LEU 64 0.159 11.865 3.368 412 HB3 LEU 64 2HB LEU 64 -0.500 9.831 4.349 413 HG LEU 64 HG LEU 64 -0.081 8.833 1.551 414 HD11 LEU 64 1HD1 LEU 64 -2.529 8.612 3.262 415 HD12 LEU 64 2HD1 LEU 64 -1.176 7.499 3.456 416 HD13 LEU 64 3HD1 LEU 64 -2.021 7.599 1.912 417 HD21 LEU 64 3HD2 LEU 64 -2.478 10.092 1.427 418 HD22 LEU 64 1HD2 LEU 64 -0.963 10.769 0.829 419 HD23 LEU 64 2HD2 LEU 64 -1.558 11.217 2.428 420 H SER 65 H SER 65 0.679 10.588 5.763 421 HA SER 65 HA SER 65 3.497 10.727 6.359 422 HB3 SER 65 2HB SER 65 1.592 12.884 7.261 423 HG SER 65 HG SER 65 2.587 12.894 9.101 424 H ALA 66 H ALA 66 0.670 11.409 8.393 425 HA ALA 66 HA ALA 66 1.454 9.375 10.268 426 HB1 ALA 66 1HB ALA 66 -0.633 10.077 11.466 427 HB2 ALA 66 2HB ALA 66 0.526 11.374 11.169 428 HB3 ALA 66 3HB ALA 66 -0.915 11.230 10.161 429 H VAL 67 H VAL 67 -0.393 9.415 7.442 430 HA VAL 67 HA VAL 67 -2.437 7.583 8.026 431 HB VAL 67 HB VAL 67 -1.006 7.985 5.395 432 HG11 VAL 67 1HG1 VAL 67 -3.486 6.518 6.181 433 HG12 VAL 67 2HG1 VAL 67 -3.376 7.262 4.584 434 HG13 VAL 67 3HG1 VAL 67 -2.202 6.038 5.073 435 HG21 VAL 67 3HG2 VAL 67 -1.836 10.088 5.899 436 HG22 VAL 67 1HG2 VAL 67 -3.163 9.369 4.986 437 HG23 VAL 67 2HG2 VAL 67 -3.242 9.443 6.746 438 H ALA 68 H ALA 68 0.927 7.145 7.808 439 HA ALA 68 HA ALA 68 1.384 4.690 6.757 440 HB1 ALA 68 1HB ALA 68 2.614 5.080 9.409 441 HB2 ALA 68 2HB ALA 68 3.360 4.726 7.849 442 HB3 ALA 68 3HB ALA 68 2.863 6.374 8.236 443 H MET 69 H MET 69 0.103 2.957 6.920 444 HA MET 69 HA MET 69 -0.978 1.163 7.808 445 HB3 MET 69 2HB MET 69 -0.187 0.233 9.790 446 HG3 MET 69 2HG MET 69 2.150 2.011 9.641 447 HE1 MET 69 3HE MET 69 0.772 -1.122 8.275 448 HE2 MET 69 1HE MET 69 2.036 -2.326 8.531 449 HE3 MET 69 2HE MET 69 0.796 -2.074 9.760 450 HA PRO 70 HA PRO 70 -4.271 3.977 9.378 451 HB3 PRO 70 2HB PRO 70 -5.069 4.261 7.242 452 HG3 PRO 70 2HG PRO 70 -4.650 2.684 5.586 453 HD3 PRO 70 2HD PRO 70 -2.513 2.986 6.395 454 H THR 71 H THR 71 -4.176 0.509 8.809 455 HA THR 71 HA THR 71 -5.244 -0.089 11.367 456 HB THR 71 HB THR 71 -7.348 0.574 10.183 457 HG1 THR 71 1HG THR 71 -8.453 -1.082 11.114 458 HG21 THR 71 3HG2 THR 71 -6.297 -0.880 8.081 459 HG22 THR 71 1HG2 THR 71 -7.950 -0.281 8.203 460 HG23 THR 71 2HG2 THR 71 -7.570 -1.926 8.710 461 H ASN 72 H ASN 72 -5.885 -2.555 11.411 462 HA ASN 72 HA ASN 72 -3.640 -4.050 10.872 463 HB3 ASN 72 2HB ASN 72 -6.373 -5.305 10.817 464 HD21 ASN 72 1HD2 ASN 72 -6.297 -7.170 12.437 465 HD22 ASN 72 2HD2 ASN 72 -4.883 -8.160 12.375 466 H PHE 73 H PHE 73 -2.960 -5.403 9.243 467 HA PHE 73 HA PHE 73 -4.478 -5.262 6.721 468 HB3 PHE 73 2HB PHE 73 -2.114 -5.508 5.667 469 HD1 PHE 73 2HD PHE 73 -4.166 -3.996 4.763 470 HD2 PHE 73 1HD PHE 73 -1.087 -2.721 7.411 471 HE1 PHE 73 2HE PHE 73 -4.549 -1.664 4.080 472 HE2 PHE 73 1HE PHE 73 -1.466 -0.386 6.733 473 HZ PHE 73 HZ PHE 73 -3.198 0.145 5.064 474 H ALA 74 H ALA 74 -2.959 -7.215 9.061 475 HA ALA 74 HA ALA 74 -2.197 -9.473 7.634 476 HB1 ALA 74 1HB ALA 74 -3.488 -9.490 10.357 477 HB2 ALA 74 2HB ALA 74 -2.380 -10.689 9.687 478 HB3 ALA 74 3HB ALA 74 -1.802 -9.065 10.062 479 H THR 75 H THR 75 -5.326 -8.191 8.147 480 HA THR 75 HA THR 75 -6.520 -10.653 7.054 481 HB THR 75 HB THR 75 -7.249 -10.394 9.360 482 HG1 THR 75 1HG THR 75 -9.397 -10.615 8.919 483 HG21 THR 75 3HG2 THR 75 -7.040 -7.716 8.971 484 HG22 THR 75 1HG2 THR 75 -7.910 -8.457 10.313 485 HG23 THR 75 2HG2 THR 75 -8.787 -7.932 8.876 486 H ALA 76 H ALA 76 -5.576 -7.801 6.098 487 HA ALA 76 HA ALA 76 -8.042 -7.084 4.667 488 HB1 ALA 76 1HB ALA 76 -7.161 -4.907 4.370 489 HB2 ALA 76 2HB ALA 76 -6.852 -5.343 6.051 490 HB3 ALA 76 3HB ALA 76 -5.547 -5.415 4.867 491 H THR 77 H THR 77 -7.629 -6.186 2.412 492 HA THR 77 HA THR 77 -5.658 -7.888 1.029 493 HB THR 77 HB THR 77 -7.145 -8.116 -0.834 494 HG1 THR 77 1HG THR 77 -9.363 -7.137 -0.480 495 HG21 THR 77 3HG2 THR 77 -7.550 -9.387 1.449 496 HG22 THR 77 1HG2 THR 77 -8.639 -9.596 0.080 497 HG23 THR 77 2HG2 THR 77 -9.078 -8.509 1.397 498 H VAL 78 H VAL 78 -5.227 -7.016 -1.270 499 HA VAL 78 HA VAL 78 -3.890 -4.597 -1.104 500 HB VAL 78 HB VAL 78 -3.690 -4.646 -3.518 501 HG11 VAL 78 1HG1 VAL 78 -3.371 -7.402 -3.514 502 HG12 VAL 78 2HG1 VAL 78 -2.161 -6.200 -3.059 503 HG13 VAL 78 3HG1 VAL 78 -3.183 -6.938 -1.824 504 HG21 VAL 78 3HG2 VAL 78 -5.941 -5.108 -4.184 505 HG22 VAL 78 1HG2 VAL 78 -4.914 -6.392 -4.821 506 HG23 VAL 78 2HG2 VAL 78 -5.908 -6.685 -3.394 507 H ARG 79 H ARG 79 -7.192 -5.264 -2.127 508 HA ARG 79 HA ARG 79 -7.770 -2.701 -3.164 509 HB3 ARG 79 2HB ARG 79 -9.636 -4.756 -1.966 510 HG3 ARG 79 2HG ARG 79 -10.800 -2.657 -2.141 511 HD3 ARG 79 2HD ARG 79 -9.270 -2.447 -4.621 512 HE ARG 79 HE ARG 79 -11.745 -1.105 -5.037 513 HH11 ARG 79 1HH1 ARG 79 -10.124 -4.157 -5.449 514 HH12 ARG 79 2HH1 ARG 79 -11.106 -4.647 -6.789 515 HH21 ARG 79 1HH2 ARG 79 -13.045 -1.737 -6.801 516 HH22 ARG 79 2HH2 ARG 79 -12.767 -3.269 -7.559 517 H GLU 80 H GLU 80 -8.190 -4.126 0.052 518 HA GLU 80 HA GLU 80 -9.530 -1.952 1.229 519 HB3 GLU 80 2HB GLU 80 -8.347 -2.977 3.369 520 HG3 GLU 80 2HG GLU 80 -10.055 -5.069 2.333 521 H MET 81 H MET 81 -6.075 -2.797 1.179 522 HA MET 81 HA MET 81 -5.198 -0.571 2.666 523 HB3 MET 81 2HB MET 81 -3.723 -2.239 0.622 524 HG3 MET 81 2HG MET 81 -2.402 -0.776 2.860 525 HE1 MET 81 3HE MET 81 -0.972 -2.439 3.352 526 HE2 MET 81 1HE MET 81 -1.089 -3.776 2.208 527 HE3 MET 81 2HE MET 81 0.447 -2.938 2.430 528 H ALA 82 H ALA 82 -5.749 -1.064 -0.773 529 HA ALA 82 HA ALA 82 -4.546 1.356 -1.642 530 HB1 ALA 82 1HB ALA 82 -5.395 0.863 -3.766 531 HB2 ALA 82 2HB ALA 82 -5.113 -0.714 -3.030 532 HB3 ALA 82 3HB ALA 82 -6.748 -0.059 -3.109 533 H GLU 83 H GLU 83 -7.949 0.437 -1.122 534 HA GLU 83 HA GLU 83 -9.069 2.925 -1.740 535 HB3 GLU 83 2HB GLU 83 -10.386 0.860 -1.549 536 HG3 GLU 83 2HG GLU 83 -9.924 1.152 1.410 537 H ALA 84 H ALA 84 -7.716 1.669 1.249 538 HA ALA 84 HA ALA 84 -8.630 3.657 3.003 539 HB1 ALA 84 1HB ALA 84 -7.743 1.975 4.221 540 HB2 ALA 84 2HB ALA 84 -6.490 1.625 3.030 541 HB3 ALA 84 3HB ALA 84 -6.296 2.981 4.140 542 H LEU 85 H LEU 85 -5.614 3.443 1.131 543 HA LEU 85 HA LEU 85 -4.629 5.964 2.029 544 HB3 LEU 85 2HB LEU 85 -2.981 5.692 0.193 545 HG LEU 85 HG LEU 85 -3.376 3.313 1.988 546 HD11 LEU 85 1HD1 LEU 85 -2.173 2.196 0.433 547 HD12 LEU 85 2HD1 LEU 85 -0.834 3.039 1.211 548 HD13 LEU 85 3HD1 LEU 85 -1.522 3.669 -0.285 549 HD21 LEU 85 3HD2 LEU 85 -2.552 5.776 2.616 550 HD22 LEU 85 1HD2 LEU 85 -1.013 5.091 2.095 551 HD23 LEU 85 2HD2 LEU 85 -1.922 4.327 3.400 552 H GLU 86 H GLU 86 -6.235 4.855 -0.933 553 HA GLU 86 HA GLU 86 -6.137 7.296 -2.318 554 HB3 GLU 86 2HB GLU 86 -6.893 4.833 -3.014 555 HG3 GLU 86 2HG GLU 86 -9.508 6.292 -2.719 556 H ALA 87 H ALA 87 -8.424 6.014 0.026 557 HA ALA 87 HA ALA 87 -10.438 7.959 -0.304 558 HB1 ALA 87 1HB ALA 87 -10.881 7.269 2.202 559 HB2 ALA 87 2HB ALA 87 -11.215 6.159 0.871 560 HB3 ALA 87 3HB ALA 87 -9.732 5.990 1.810 561 H ARG 88 H ARG 88 -7.569 7.831 1.754 562 HA ARG 88 HA ARG 88 -8.105 10.098 3.314 563 HB3 ARG 88 2HB ARG 88 -5.784 10.064 3.911 564 HG3 ARG 88 2HG ARG 88 -5.580 7.277 3.585 565 HD3 ARG 88 2HD ARG 88 -4.942 8.296 5.614 566 HE ARG 88 HE ARG 88 -6.144 10.165 6.161 567 HH11 ARG 88 1HH1 ARG 88 -8.332 7.495 5.712 568 HH12 ARG 88 2HH1 ARG 88 -9.716 8.363 6.289 569 HH21 ARG 88 1HH2 ARG 88 -7.958 11.318 6.924 570 HH22 ARG 88 2HH2 ARG 88 -9.502 10.537 6.977 571 H GLU 89 H GLU 89 -6.061 9.800 0.405 572 HA GLU 89 HA GLU 89 -5.470 12.524 0.149 573 HB3 GLU 89 2HB GLU 89 -5.199 11.840 -2.360 574 HG3 GLU 89 2HG GLU 89 -3.494 10.114 -0.665 575 H ARG 90 H ARG 90 -8.239 10.650 -0.877 576 HA ARG 90 HA ARG 90 -9.355 12.458 -2.706 577 HB3 ARG 90 2HB ARG 90 -10.611 10.388 -0.907 578 HG3 ARG 90 2HG ARG 90 -11.958 11.783 -3.207 579 HD3 ARG 90 2HD ARG 90 -12.553 9.430 -1.537 580 HE ARG 90 HE ARG 90 -14.339 11.510 -1.282 581 HH11 ARG 90 1HH1 ARG 90 -14.390 8.273 -2.563 582 HH12 ARG 90 2HH1 ARG 90 -16.069 8.022 -2.214 583 HH21 ARG 90 1HH2 ARG 90 -16.549 11.192 -0.819 584 HH22 ARG 90 2HH2 ARG 90 -17.295 9.683 -1.223 585 H GLU 91 H GLU 91 -9.235 12.473 0.758 586 HA GLU 91 HA GLU 91 -10.658 15.032 0.762 587 HB3 GLU 91 2HB GLU 91 -11.179 12.919 2.852 588 HG3 GLU 91 2HG GLU 91 -12.294 15.618 2.282 589 H ALA 92 H ALA 92 -7.994 14.965 0.789 590 HA ALA 92 HA ALA 92 -7.173 15.179 3.604 591 HB1 ALA 92 1HB ALA 92 -5.878 14.173 1.248 592 HB2 ALA 92 2HB ALA 92 -4.921 15.472 1.961 593 HB3 ALA 92 3HB ALA 92 -5.370 14.071 2.934 594 HA PRO 93 HA PRO 93 -6.752 19.544 3.454 595 HB3 PRO 93 2HB PRO 93 -5.972 19.447 5.613 596 HG3 PRO 93 2HG PRO 93 -4.565 17.728 6.305 597 HD3 PRO 93 2HD PRO 93 -6.235 16.496 5.304 598 H HIS 94 H HIS 94 -4.814 21.275 3.212 599 HA HIS 94 HA HIS 94 -3.527 20.593 0.661 600 HB3 HIS 94 2HB HIS 94 -4.977 22.492 0.455 601 HD1 HIS 94 1HD HIS 94 -2.501 24.531 2.366 602 HD2 HIS 94 2HD HIS 94 -6.454 23.298 2.695 603 HE1 HIS 94 1HE HIS 94 -3.485 25.920 4.217 604 H LEU 95 H LEU 95 -2.235 19.541 2.793 605 HA LEU 95 HA LEU 95 -0.023 21.377 3.389 606 HB3 LEU 95 2HB LEU 95 0.224 18.880 4.746 607 HG LEU 95 HG LEU 95 -0.449 21.635 5.762 608 HD11 LEU 95 1HD1 LEU 95 -1.154 20.687 7.643 609 HD12 LEU 95 2HD1 LEU 95 0.494 20.107 7.880 610 HD13 LEU 95 3HD1 LEU 95 -0.697 19.078 7.084 611 HD21 LEU 95 3HD2 LEU 95 1.807 21.311 4.842 612 HD22 LEU 95 1HD2 LEU 95 2.056 19.965 5.955 613 HD23 LEU 95 2HD2 LEU 95 1.835 21.597 6.583 614 H GLU 96 H GLU 96 -0.816 18.325 1.875 615 HA GLU 96 HA GLU 96 1.625 18.362 0.374 616 HB3 GLU 96 2HB GLU 96 1.216 15.971 2.163 617 HG3 GLU 96 2HG GLU 96 3.202 16.752 0.149 618 H HIS 97 H HIS 97 1.533 17.069 -1.449 619 HA HIS 97 HA HIS 97 -0.679 15.207 -1.770 620 HB3 HIS 97 2HB HIS 97 -1.090 16.437 -4.077 621 HD1 HIS 97 1HD HIS 97 -2.638 19.104 -3.013 622 HD2 HIS 97 2HD HIS 97 -2.909 15.226 -1.548 623 HE1 HIS 97 1HE HIS 97 -4.864 18.979 -1.850 624 H HIS 98 H HIS 98 1.889 16.917 -3.558 625 HA HIS 98 HA HIS 98 2.593 14.350 -4.820 626 HB3 HIS 98 2HB HIS 98 3.636 15.697 -6.612 627 HD1 HIS 98 1HD HIS 98 0.370 17.266 -5.441 628 HD2 HIS 98 2HD HIS 98 1.869 14.863 -8.479 629 HE1 HIS 98 1HE HIS 98 -1.558 16.885 -7.011 630 H HIS 99 H HIS 99 4.537 13.488 -4.434 631 HA HIS 99 HA HIS 99 6.885 14.951 -3.900 632 HB3 HIS 99 2HB HIS 99 6.331 13.474 -1.428 633 HD1 HIS 99 1HD HIS 99 7.751 14.448 0.416 634 HD2 HIS 99 2HD HIS 99 7.570 16.887 -2.943 635 HE1 HIS 99 1HE HIS 99 9.459 16.253 0.802 636 H HIS 100 H HIS 100 8.504 13.698 -4.545 637 HA HIS 100 HA HIS 100 8.891 11.024 -3.759 638 HB3 HIS 100 2HB HIS 100 7.060 10.473 -5.228 639 HD1 HIS 100 1HD HIS 100 9.475 11.461 -7.966 640 HD2 HIS 100 2HD HIS 100 5.573 12.201 -6.745 641 HE1 HIS 100 1HE HIS 100 8.431 12.799 -9.823 642 H HIS 101 H HIS 101 10.923 10.286 -4.302 643 HA HIS 101 HA HIS 101 12.505 11.210 -6.417 644 HB3 HIS 101 2HB HIS 101 12.607 13.360 -5.421 645 HD1 HIS 101 1HD HIS 101 14.033 11.332 -2.527 646 HD2 HIS 101 2HD HIS 101 11.459 14.508 -3.267 647 HE1 HIS 101 1HE HIS 101 13.319 12.161 -0.262 648 H HIS 102 H HIS 102 14.840 10.604 -6.130 649 HA HIS 102 HA HIS 102 15.363 8.688 -4.005 650 HB3 HIS 102 2HB HIS 102 16.157 7.492 -6.512 651 HD1 HIS 102 1HD HIS 102 16.331 5.061 -6.048 652 HD2 HIS 102 2HD HIS 102 13.649 6.948 -3.497 653 HE1 HIS 102 1HE HIS 102 15.625 3.303 -4.394 Start of MODEL 4 1 H1 MET 1 H MET 1 6.944 1.766 -23.314 2 HA MET 1 HA MET 1 4.745 2.830 -21.666 3 HB3 MET 1 2HB MET 1 6.361 4.427 -20.744 4 HG3 MET 1 2HG MET 1 7.347 1.590 -20.596 5 HE1 MET 1 3HE MET 1 8.026 4.628 -17.291 6 HE2 MET 1 1HE MET 1 7.868 5.389 -18.874 7 HE3 MET 1 2HE MET 1 6.568 4.373 -18.250 8 H ALA 2 H ALA 2 3.494 4.273 -22.637 9 HA ALA 2 HA ALA 2 4.434 6.475 -24.104 10 HB1 ALA 2 1HB ALA 2 2.962 4.820 -26.039 11 HB2 ALA 2 2HB ALA 2 4.333 5.904 -26.278 12 HB3 ALA 2 3HB ALA 2 4.596 4.273 -25.660 13 H ARG 3 H ARG 3 1.770 4.222 -23.573 14 HA ARG 3 HA ARG 3 -0.173 6.380 -23.908 15 HB3 ARG 3 2HB ARG 3 -1.265 3.810 -23.104 16 HG3 ARG 3 2HG ARG 3 -1.817 5.900 -25.015 17 HD3 ARG 3 2HD ARG 3 -3.025 4.186 -26.540 18 HE ARG 3 HE ARG 3 -0.494 5.359 -26.822 19 HH11 ARG 3 1HH1 ARG 3 -2.393 2.754 -28.137 20 HH12 ARG 3 2HH1 ARG 3 -1.624 2.803 -29.689 21 HH21 ARG 3 1HH2 ARG 3 0.525 5.434 -28.862 22 HH22 ARG 3 2HH2 ARG 3 0.036 4.327 -30.100 23 H ALA 4 H ALA 4 -2.088 6.159 -22.256 24 HA ALA 4 HA ALA 4 -0.963 6.743 -19.674 25 HB1 ALA 4 1HB ALA 4 -2.727 8.090 -19.658 26 HB2 ALA 4 2HB ALA 4 -3.424 7.278 -21.060 27 HB3 ALA 4 3HB ALA 4 -3.749 6.671 -19.437 28 H ASP 5 H ASP 5 -2.471 4.030 -21.196 29 HA ASP 5 HA ASP 5 -3.558 2.645 -19.066 30 HB3 ASP 5 2HB ASP 5 -3.317 0.655 -20.376 31 H ASP 6 H ASP 6 -2.793 1.278 -17.500 32 HA ASP 6 HA ASP 6 0.016 1.591 -16.819 33 HB3 ASP 6 2HB ASP 6 -1.493 -0.110 -15.021 34 H THR 7 H THR 7 0.546 -0.708 -15.422 35 HA THR 7 HA THR 7 1.587 -2.420 -17.307 36 HB THR 7 HB THR 7 0.952 -4.022 -15.048 37 HG1 THR 7 1HG THR 7 0.438 -2.222 -13.847 38 HG21 THR 7 3HG2 THR 7 3.053 -4.473 -15.707 39 HG22 THR 7 1HG2 THR 7 3.511 -3.142 -14.644 40 HG23 THR 7 2HG2 THR 7 3.292 -2.856 -16.371 41 H ALA 8 H ALA 8 0.643 -3.665 -18.772 42 HA ALA 8 HA ALA 8 -0.774 -5.137 -19.777 43 HB1 ALA 8 1HB ALA 8 -0.884 -6.851 -18.355 44 HB2 ALA 8 2HB ALA 8 -0.965 -5.788 -16.950 45 HB3 ALA 8 3HB ALA 8 -2.434 -6.183 -17.843 46 H LEU 9 H LEU 9 -2.998 -4.317 -17.156 47 HA LEU 9 HA LEU 9 -4.940 -3.398 -19.109 48 HB3 LEU 9 2HB LEU 9 -6.227 -3.068 -16.802 49 HG LEU 9 HG LEU 9 -6.445 -4.980 -18.696 50 HD11 LEU 9 1HD1 LEU 9 -4.874 -6.514 -17.848 51 HD12 LEU 9 2HD1 LEU 9 -6.453 -7.152 -17.393 52 HD13 LEU 9 3HD1 LEU 9 -5.458 -6.323 -16.195 53 HD21 LEU 9 3HD2 LEU 9 -7.774 -4.840 -15.995 54 HD22 LEU 9 1HD2 LEU 9 -8.347 -5.841 -17.328 55 HD23 LEU 9 2HD2 LEU 9 -8.310 -4.086 -17.497 56 HA PRO 10 HA PRO 10 -4.404 0.919 -18.530 57 HB3 PRO 10 2HB PRO 10 -6.039 1.220 -20.115 58 HG3 PRO 10 2HG PRO 10 -7.884 -0.191 -20.219 59 HD3 PRO 10 2HD PRO 10 -6.193 -1.754 -20.150 60 H ALA 11 H ALA 11 -3.958 0.055 -16.143 61 HA ALA 11 HA ALA 11 -5.957 0.774 -14.205 62 HB1 ALA 11 1HB ALA 11 -3.701 0.536 -12.741 63 HB2 ALA 11 2HB ALA 11 -4.709 -0.827 -13.231 64 HB3 ALA 11 3HB ALA 11 -3.267 -0.417 -14.161 65 H ALA 12 H ALA 12 -6.173 2.997 -15.157 66 HA ALA 12 HA ALA 12 -4.051 4.871 -14.580 67 HB1 ALA 12 1HB ALA 12 -5.085 6.182 -16.051 68 HB2 ALA 12 2HB ALA 12 -6.177 4.830 -16.355 69 HB3 ALA 12 3HB ALA 12 -6.616 6.073 -15.182 70 H THR 13 H THR 13 -6.267 3.353 -12.699 71 HA THR 13 HA THR 13 -7.530 5.234 -11.145 72 HB THR 13 HB THR 13 -8.014 2.954 -10.712 73 HG1 THR 13 1HG THR 13 -8.169 4.131 -8.818 74 HG21 THR 13 3HG2 THR 13 -6.348 1.383 -9.795 75 HG22 THR 13 1HG2 THR 13 -5.105 2.621 -9.968 76 HG23 THR 13 2HG2 THR 13 -5.902 1.965 -11.398 77 H GLY 14 H GLY 14 -4.165 4.179 -10.987 78 HA2 GLY 14 2HA GLY 14 -2.341 5.336 -10.146 79 HA3 GLY 14 3HA GLY 14 -3.431 6.615 -9.634 80 H ALA 15 H ALA 15 -4.923 5.921 -7.759 81 HA ALA 15 HA ALA 15 -3.330 5.391 -5.521 82 HB1 ALA 15 1HB ALA 15 -5.944 6.224 -5.979 83 HB2 ALA 15 2HB ALA 15 -6.102 4.734 -5.047 84 HB3 ALA 15 3HB ALA 15 -5.137 6.070 -4.418 85 H LEU 16 H LEU 16 -5.691 3.288 -7.165 86 HA LEU 16 HA LEU 16 -5.167 1.028 -5.530 87 HB3 LEU 16 2HB LEU 16 -6.142 0.042 -7.920 88 HG LEU 16 HG LEU 16 -8.441 0.249 -6.922 89 HD11 LEU 16 1HD1 LEU 16 -7.706 -1.771 -6.302 90 HD12 LEU 16 2HD1 LEU 16 -7.478 -1.028 -4.718 91 HD13 LEU 16 3HD1 LEU 16 -6.119 -1.160 -5.835 92 HD21 LEU 16 3HD2 LEU 16 -6.894 1.532 -4.672 93 HD22 LEU 16 1HD2 LEU 16 -8.570 0.988 -4.582 94 HD23 LEU 16 2HD2 LEU 16 -8.127 2.303 -5.671 95 H GLU 17 H GLU 17 -3.837 2.209 -8.553 96 HA GLU 17 HA GLU 17 -2.409 -0.156 -9.221 97 HB3 GLU 17 2HB GLU 17 -2.853 2.392 -10.377 98 HG3 GLU 17 2HG GLU 17 -0.559 2.922 -9.463 99 H LEU 18 H LEU 18 -1.679 2.683 -7.297 100 HA LEU 18 HA LEU 18 1.107 2.241 -7.052 101 HB3 LEU 18 2HB LEU 18 -0.510 3.571 -4.919 102 HG LEU 18 HG LEU 18 2.190 4.100 -6.111 103 HD11 LEU 18 1HD1 LEU 18 0.323 6.103 -5.592 104 HD12 LEU 18 2HD1 LEU 18 2.062 6.293 -5.801 105 HD13 LEU 18 3HD1 LEU 18 1.388 6.084 -4.186 106 HD21 LEU 18 3HD2 LEU 18 1.185 2.973 -3.695 107 HD22 LEU 18 1HD2 LEU 18 2.040 4.468 -3.312 108 HD23 LEU 18 2HD2 LEU 18 2.861 3.187 -4.205 109 H VAL 19 H VAL 19 -1.589 1.542 -4.829 110 HA VAL 19 HA VAL 19 -0.037 0.213 -2.891 111 HB VAL 19 HB VAL 19 -2.963 0.251 -3.528 112 HG11 VAL 19 1HG1 VAL 19 -3.302 -1.173 -1.484 113 HG12 VAL 19 2HG1 VAL 19 -2.669 -2.023 -2.895 114 HG13 VAL 19 3HG1 VAL 19 -1.589 -1.580 -1.571 115 HG21 VAL 19 3HG2 VAL 19 -2.829 1.966 -2.116 116 HG22 VAL 19 1HG2 VAL 19 -2.464 0.807 -0.838 117 HG23 VAL 19 2HG2 VAL 19 -1.154 1.587 -1.724 118 H ARG 20 H ARG 20 -2.045 -1.069 -5.537 119 HA ARG 20 HA ARG 20 -1.562 -3.782 -5.074 120 HB3 ARG 20 2HB ARG 20 -2.025 -3.946 -7.622 121 HG3 ARG 20 2HG ARG 20 -3.923 -2.889 -5.579 122 HD3 ARG 20 2HD ARG 20 -4.382 -2.047 -8.018 123 HE ARG 20 HE ARG 20 -4.707 -4.859 -8.383 124 HH11 ARG 20 1HH1 ARG 20 -5.965 -1.742 -9.293 125 HH12 ARG 20 2HH1 ARG 20 -6.599 -2.296 -10.808 126 HH21 ARG 20 1HH2 ARG 20 -5.537 -5.598 -10.375 127 HH22 ARG 20 2HH2 ARG 20 -6.356 -4.490 -11.422 128 H HIS 21 H HIS 21 0.244 -1.408 -6.963 129 HA HIS 21 HA HIS 21 2.064 -3.202 -8.149 130 HB3 HIS 21 2HB HIS 21 2.471 -0.285 -7.448 131 HD1 HIS 21 1HD HIS 21 3.966 -3.234 -9.185 132 HD2 HIS 21 2HD HIS 21 4.600 0.860 -8.867 133 HE1 HIS 21 1HE HIS 21 6.237 -2.826 -10.186 134 H LEU 22 H LEU 22 2.385 -1.155 -5.251 135 HA LEU 22 HA LEU 22 4.944 -1.973 -4.507 136 HB3 LEU 22 2HB LEU 22 4.237 -1.287 -2.195 137 HG LEU 22 HG LEU 22 3.401 0.761 -4.243 138 HD11 LEU 22 1HD1 LEU 22 2.877 1.767 -2.279 139 HD12 LEU 22 2HD1 LEU 22 4.598 2.143 -2.310 140 HD13 LEU 22 3HD1 LEU 22 4.011 0.790 -1.344 141 HD21 LEU 22 3HD2 LEU 22 6.006 1.292 -3.480 142 HD22 LEU 22 1HD2 LEU 22 5.481 0.630 -5.029 143 HD23 LEU 22 2HD2 LEU 22 5.985 -0.455 -3.733 144 H VAL 23 H VAL 23 1.803 -3.426 -3.891 145 HA VAL 23 HA VAL 23 2.744 -5.367 -2.025 146 HB VAL 23 HB VAL 23 0.208 -4.735 -3.335 147 HG11 VAL 23 1HG1 VAL 23 -0.717 -7.041 -2.932 148 HG12 VAL 23 2HG1 VAL 23 0.357 -6.889 -4.325 149 HG13 VAL 23 3HG1 VAL 23 0.949 -7.608 -2.828 150 HG21 VAL 23 3HG2 VAL 23 0.134 -4.255 -1.113 151 HG22 VAL 23 1HG2 VAL 23 -0.462 -5.913 -1.042 152 HG23 VAL 23 2HG2 VAL 23 1.229 -5.568 -0.679 153 H ALA 24 H ALA 24 2.018 -5.437 -5.498 154 HA ALA 24 HA ALA 24 2.502 -8.158 -5.935 155 HB1 ALA 24 1HB ALA 24 2.913 -7.470 -8.306 156 HB2 ALA 24 2HB ALA 24 1.397 -6.884 -7.619 157 HB3 ALA 24 3HB ALA 24 2.774 -5.792 -7.778 158 H GLU 25 H GLU 25 4.699 -5.373 -6.208 159 HA GLU 25 HA GLU 25 6.964 -6.859 -6.994 160 HB3 GLU 25 2HB GLU 25 8.250 -4.854 -6.318 161 HG3 GLU 25 2HG GLU 25 6.000 -3.466 -7.515 162 H ARG 26 H ARG 26 5.525 -6.211 -3.896 163 HA ARG 26 HA ARG 26 7.831 -7.013 -2.372 164 HB3 ARG 26 2HB ARG 26 5.970 -7.084 -0.515 165 HG3 ARG 26 2HG ARG 26 5.887 -4.386 -0.870 166 HD3 ARG 26 2HD ARG 26 6.967 -6.048 0.914 167 HE ARG 26 HE ARG 26 9.187 -5.466 -0.791 168 HH11 ARG 26 1HH1 ARG 26 8.224 -5.971 2.517 169 HH12 ARG 26 2HH1 ARG 26 9.793 -6.497 3.030 170 HH21 ARG 26 1HH2 ARG 26 11.258 -6.156 -0.127 171 HH22 ARG 26 2HH2 ARG 26 11.518 -6.600 1.526 172 H ALA 27 H ALA 27 5.269 -8.602 -3.961 173 HA ALA 27 HA ALA 27 5.596 -11.028 -2.343 174 HB1 ALA 27 1HB ALA 27 3.642 -11.802 -3.855 175 HB2 ALA 27 2HB ALA 27 3.324 -10.636 -2.570 176 HB3 ALA 27 3HB ALA 27 3.481 -10.088 -4.239 177 H GLU 28 H GLU 28 7.336 -9.787 -4.618 178 HA GLU 28 HA GLU 28 8.646 -10.536 -6.324 179 HB3 GLU 28 2HB GLU 28 8.196 -13.385 -5.640 180 HG3 GLU 28 2HG GLU 28 10.160 -12.096 -6.967 181 H LEU 29 H LEU 29 6.102 -10.000 -7.134 182 HA LEU 29 HA LEU 29 5.807 -11.863 -9.350 183 HB3 LEU 29 2HB LEU 29 4.286 -12.751 -7.686 184 HG LEU 29 HG LEU 29 3.810 -10.311 -6.696 185 HD11 LEU 29 1HD1 LEU 29 1.873 -9.313 -7.410 186 HD12 LEU 29 2HD1 LEU 29 1.237 -10.798 -8.117 187 HD13 LEU 29 3HD1 LEU 29 2.519 -9.910 -8.938 188 HD21 LEU 29 3HD2 LEU 29 1.721 -12.480 -6.659 189 HD22 LEU 29 1HD2 LEU 29 2.077 -11.296 -5.401 190 HD23 LEU 29 2HD2 LEU 29 3.239 -12.572 -5.764 191 HA PRO 30 HA PRO 30 4.978 -8.236 -11.678 192 HB3 PRO 30 2HB PRO 30 4.984 -9.567 -13.550 193 HG3 PRO 30 2HG PRO 30 4.073 -11.706 -13.504 194 HD3 PRO 30 2HD PRO 30 5.422 -11.810 -11.640 195 H VAL 31 H VAL 31 3.683 -6.507 -11.487 196 HA VAL 31 HA VAL 31 1.403 -6.525 -9.854 197 HB VAL 31 HB VAL 31 2.728 -4.508 -10.161 198 HG11 VAL 31 1HG1 VAL 31 3.042 -5.050 -12.682 199 HG12 VAL 31 2HG1 VAL 31 1.567 -4.104 -12.887 200 HG13 VAL 31 3HG1 VAL 31 2.993 -3.368 -12.156 201 HG21 VAL 31 3HG2 VAL 31 0.965 -3.184 -9.760 202 HG22 VAL 31 1HG2 VAL 31 0.242 -3.515 -11.334 203 HG23 VAL 31 2HG2 VAL 31 -0.004 -4.638 -9.996 204 H GLU 32 H GLU 32 1.776 -7.341 -13.137 205 HA GLU 32 HA GLU 32 -0.878 -6.668 -13.994 206 HB3 GLU 32 2HB GLU 32 1.155 -6.899 -15.493 207 HG3 GLU 32 2HG GLU 32 1.210 -9.510 -14.466 208 H VAL 33 H VAL 33 0.547 -9.258 -12.271 209 HA VAL 33 HA VAL 33 -1.761 -11.001 -12.790 210 HB VAL 33 HB VAL 33 0.726 -11.790 -12.963 211 HG11 VAL 33 1HG1 VAL 33 0.900 -10.912 -10.437 212 HG12 VAL 33 2HG1 VAL 33 0.445 -12.589 -10.132 213 HG13 VAL 33 3HG1 VAL 33 1.892 -12.224 -11.074 214 HG21 VAL 33 3HG2 VAL 33 -0.796 -13.709 -11.327 215 HG22 VAL 33 1HG2 VAL 33 -1.640 -13.068 -12.737 216 HG23 VAL 33 2HG2 VAL 33 -0.093 -13.893 -12.934 217 H LEU 34 H LEU 34 -0.857 -8.673 -10.678 218 HA LEU 34 HA LEU 34 -1.461 -9.847 -8.165 219 HB3 LEU 34 2HB LEU 34 -1.854 -6.940 -8.739 220 HG LEU 34 HG LEU 34 -0.431 -6.744 -6.620 221 HD11 LEU 34 1HD1 LEU 34 -2.596 -7.594 -5.279 222 HD12 LEU 34 2HD1 LEU 34 -3.265 -7.502 -6.907 223 HD13 LEU 34 3HD1 LEU 34 -2.537 -6.074 -6.173 224 HD21 LEU 34 3HD2 LEU 34 0.025 -8.550 -5.340 225 HD22 LEU 34 1HD2 LEU 34 -0.047 -9.386 -6.891 226 HD23 LEU 34 2HD2 LEU 34 -1.447 -9.398 -5.818 227 H ARG 35 H ARG 35 -3.369 -10.487 -7.434 228 HA ARG 35 HA ARG 35 -5.796 -9.784 -8.819 229 HB3 ARG 35 2HB ARG 35 -6.674 -11.166 -6.680 230 HG3 ARG 35 2HG ARG 35 -6.334 -13.259 -7.948 231 HD3 ARG 35 2HD ARG 35 -7.225 -12.061 -10.222 232 HE ARG 35 HE ARG 35 -8.485 -13.220 -7.996 233 HH11 ARG 35 1HH1 ARG 35 -9.161 -11.048 -10.632 234 HH12 ARG 35 2HH1 ARG 35 -10.845 -11.449 -10.702 235 HH21 ARG 35 1HH2 ARG 35 -10.701 -13.756 -8.079 236 HH22 ARG 35 2HH2 ARG 35 -11.720 -12.989 -9.249 237 H ASP 36 H ASP 36 -7.609 -8.748 -7.908 238 HA ASP 36 HA ASP 36 -6.961 -6.540 -6.215 239 HB3 ASP 36 2HB ASP 36 -9.087 -5.722 -6.701 240 H ASP 37 H ASP 37 -8.283 -9.699 -5.724 241 HA ASP 37 HA ASP 37 -9.122 -9.016 -2.999 242 HB3 ASP 37 2HB ASP 37 -10.163 -11.261 -2.982 243 H SER 38 H SER 38 -6.300 -9.429 -4.112 244 HA SER 38 HA SER 38 -5.305 -11.793 -2.860 245 HB3 SER 38 2HB SER 38 -4.126 -10.815 -4.756 246 HG SER 38 HG SER 38 -4.556 -8.612 -4.325 247 H ARG 39 H ARG 39 -4.923 -12.112 -0.778 248 HA ARG 39 HA ARG 39 -5.067 -9.899 1.082 249 HB3 ARG 39 2HB ARG 39 -5.261 -11.510 2.783 250 HG3 ARG 39 2HG ARG 39 -6.358 -13.336 0.754 251 HD3 ARG 39 2HD ARG 39 -6.809 -13.221 3.292 252 HE ARG 39 HE ARG 39 -7.617 -10.696 2.872 253 HH11 ARG 39 1HH1 ARG 39 -9.348 -13.590 3.733 254 HH12 ARG 39 2HH1 ARG 39 -10.567 -12.749 4.632 255 HH21 ARG 39 1HH2 ARG 39 -9.215 -9.576 4.053 256 HH22 ARG 39 2HH2 ARG 39 -10.492 -10.466 4.813 257 H PHE 40 H PHE 40 -3.453 -9.402 2.638 258 HA PHE 40 HA PHE 40 -0.783 -9.551 1.574 259 HB3 PHE 40 2HB PHE 40 -0.179 -8.011 3.288 260 HD1 PHE 40 1HD PHE 40 -0.596 -6.897 1.018 261 HD2 PHE 40 2HD PHE 40 -3.535 -7.173 4.084 262 HE1 PHE 40 1HE PHE 40 -1.842 -5.043 -0.014 263 HE2 PHE 40 2HE PHE 40 -4.786 -5.320 3.057 264 HZ PHE 40 HZ PHE 40 -3.940 -4.252 1.005 265 H LEU 41 H LEU 41 -2.134 -12.021 2.549 266 HA LEU 41 HA LEU 41 0.119 -13.101 3.971 267 HB3 LEU 41 2HB LEU 41 -1.654 -14.081 5.690 268 HG LEU 41 HG LEU 41 -0.494 -11.322 6.077 269 HD11 LEU 41 1HD1 LEU 41 -0.585 -12.318 8.526 270 HD12 LEU 41 2HD1 LEU 41 -1.947 -13.208 7.848 271 HD13 LEU 41 3HD1 LEU 41 -1.946 -11.445 7.825 272 HD21 LEU 41 3HD2 LEU 41 1.491 -12.253 6.525 273 HD22 LEU 41 1HD2 LEU 41 0.879 -13.643 5.628 274 HD23 LEU 41 2HD2 LEU 41 0.766 -13.610 7.388 275 H ASP 42 H ASP 42 -3.216 -13.604 2.892 276 HA ASP 42 HA ASP 42 -3.216 -16.388 2.791 277 HB3 ASP 42 2HB ASP 42 -4.628 -14.633 0.784 278 H ASP 43 H ASP 43 -2.557 -14.110 0.125 279 HA ASP 43 HA ASP 43 -1.109 -16.280 -1.242 280 HB3 ASP 43 2HB ASP 43 -1.542 -14.288 -3.127 281 H LEU 44 H LEU 44 -1.104 -12.724 -0.944 282 HA LEU 44 HA LEU 44 1.459 -12.278 -1.921 283 HB3 LEU 44 2HB LEU 44 1.352 -10.130 -0.898 284 HG LEU 44 HG LEU 44 -1.482 -10.942 -1.536 285 HD11 LEU 44 1HD1 LEU 44 -1.778 -8.490 -1.927 286 HD12 LEU 44 2HD1 LEU 44 -0.227 -8.237 -1.129 287 HD13 LEU 44 3HD1 LEU 44 -1.571 -8.950 -0.237 288 HD21 LEU 44 3HD2 LEU 44 0.844 -10.514 -3.157 289 HD22 LEU 44 1HD2 LEU 44 -0.373 -9.286 -3.510 290 HD23 LEU 44 2HD2 LEU 44 -0.782 -10.997 -3.642 291 H HIS 45 H HIS 45 0.425 -13.510 1.143 292 HA HIS 45 HA HIS 45 1.536 -14.096 3.052 293 HB3 HIS 45 2HB HIS 45 3.914 -14.621 1.283 294 HD1 HIS 45 1HD HIS 45 2.423 -17.563 2.728 295 HD2 HIS 45 2HD HIS 45 5.039 -14.611 4.035 296 HE1 HIS 45 1HE HIS 45 3.562 -18.523 4.754 297 H MET 46 H MET 46 1.567 -11.873 3.798 298 HA MET 46 HA MET 46 4.317 -10.882 4.055 299 HB3 MET 46 2HB MET 46 3.778 -8.683 3.518 300 HG3 MET 46 2HG MET 46 2.294 -10.553 1.745 301 HE1 MET 46 3HE MET 46 3.392 -6.923 0.257 302 HE2 MET 46 1HE MET 46 3.378 -8.510 -0.516 303 HE3 MET 46 2HE MET 46 2.160 -7.309 -0.946 304 H SER 47 H SER 47 4.748 -11.139 6.148 305 HA SER 47 HA SER 47 2.882 -11.331 8.213 306 HB3 SER 47 2HB SER 47 4.753 -11.178 9.733 307 HG SER 47 HG SER 47 4.775 -13.065 8.506 308 H SER 48 H SER 48 2.569 -9.873 10.045 309 HA SER 48 HA SER 48 1.516 -7.434 9.372 310 HB3 SER 48 2HB SER 48 0.865 -8.074 11.484 311 HG SER 48 HG SER 48 2.052 -9.581 12.329 312 H ILE 49 H ILE 49 4.827 -8.173 10.315 313 HA ILE 49 HA ILE 49 5.670 -5.440 10.425 314 HB ILE 49 HB ILE 49 7.339 -7.944 10.163 315 HG13 ILE 49 2HG1 ILE 49 6.058 -6.559 12.460 316 HG21 ILE 49 1HG2 ILE 49 8.528 -5.634 11.475 317 HG22 ILE 49 2HG2 ILE 49 9.180 -6.683 10.217 318 HG23 ILE 49 3HG2 ILE 49 8.126 -5.337 9.784 319 HD11 ILE 49 3HD1 ILE 49 6.373 -9.271 11.497 320 HD12 ILE 49 1HD1 ILE 49 6.771 -9.111 13.207 321 HD13 ILE 49 2HD1 ILE 49 5.192 -8.594 12.618 322 H THR 50 H THR 50 5.836 -8.019 8.015 323 HA THR 50 HA THR 50 7.452 -6.678 6.144 324 HB THR 50 HB THR 50 5.329 -8.770 5.629 325 HG1 THR 50 1HG THR 50 6.812 -10.192 6.206 326 HG21 THR 50 3HG2 THR 50 6.260 -7.335 3.677 327 HG22 THR 50 1HG2 THR 50 6.223 -9.089 3.506 328 HG23 THR 50 2HG2 THR 50 7.734 -8.273 3.911 329 H VAL 51 H VAL 51 3.968 -6.683 6.676 330 HA VAL 51 HA VAL 51 3.228 -5.315 4.326 331 HB VAL 51 HB VAL 51 1.763 -5.092 6.947 332 HG11 VAL 51 1HG1 VAL 51 1.056 -4.809 4.057 333 HG12 VAL 51 2HG1 VAL 51 -0.179 -5.282 5.226 334 HG13 VAL 51 3HG1 VAL 51 0.675 -3.750 5.414 335 HG21 VAL 51 3HG2 VAL 51 0.834 -7.239 5.255 336 HG22 VAL 51 1HG2 VAL 51 2.510 -7.491 5.744 337 HG23 VAL 51 2HG2 VAL 51 1.259 -7.261 6.967 338 H GLY 52 H GLY 52 3.849 -4.125 7.626 339 HA2 GLY 52 2HA GLY 52 3.342 -1.423 7.174 340 HA3 GLY 52 3HA GLY 52 4.445 -2.045 8.392 341 H GLN 53 H GLN 53 6.120 -3.343 6.308 342 HA GLN 53 HA GLN 53 7.941 -1.213 5.915 343 HB3 GLN 53 2HB GLN 53 9.319 -2.809 4.767 344 HG3 GLN 53 2HG GLN 53 8.430 -4.953 6.337 345 HE21 GLN 53 1HE2 GLN 53 10.503 -5.608 6.069 346 HE22 GLN 53 2HE2 GLN 53 11.863 -4.822 6.787 347 H LEU 54 H LEU 54 5.739 -2.924 3.725 348 HA LEU 54 HA LEU 54 6.491 -1.294 1.470 349 HB3 LEU 54 2HB LEU 54 5.584 -3.760 1.569 350 HG LEU 54 HG LEU 54 3.264 -2.780 2.408 351 HD11 LEU 54 1HD1 LEU 54 3.286 -1.403 0.173 352 HD12 LEU 54 2HD1 LEU 54 1.790 -2.098 0.797 353 HD13 LEU 54 3HD1 LEU 54 2.661 -2.907 -0.504 354 HD21 LEU 54 3HD2 LEU 54 2.529 -4.758 0.526 355 HD22 LEU 54 1HD2 LEU 54 2.839 -4.951 2.252 356 HD23 LEU 54 2HD2 LEU 54 4.154 -5.144 1.093 357 H VAL 55 H VAL 55 3.938 -1.370 3.860 358 HA VAL 55 HA VAL 55 2.070 0.305 2.640 359 HB VAL 55 HB VAL 55 2.733 -0.215 5.523 360 HG11 VAL 55 1HG1 VAL 55 1.063 1.940 4.397 361 HG12 VAL 55 2HG1 VAL 55 0.347 1.010 5.715 362 HG13 VAL 55 3HG1 VAL 55 1.887 1.836 5.953 363 HG21 VAL 55 3HG2 VAL 55 0.555 -1.317 5.511 364 HG22 VAL 55 1HG2 VAL 55 0.318 -0.844 3.828 365 HG23 VAL 55 2HG2 VAL 55 1.601 -1.976 4.254 366 H ASN 56 H ASN 56 5.018 1.054 4.398 367 HA ASN 56 HA ASN 56 4.564 3.831 4.688 368 HB3 ASN 56 2HB ASN 56 7.296 3.599 4.609 369 HD21 ASN 56 1HD2 ASN 56 7.132 1.797 7.161 370 HD22 ASN 56 2HD2 ASN 56 6.593 2.914 8.364 371 H GLU 57 H GLU 57 5.828 1.865 2.093 372 HA GLU 57 HA GLU 57 6.985 3.989 0.595 373 HB3 GLU 57 2HB GLU 57 5.957 1.408 -0.567 374 HG3 GLU 57 2HG GLU 57 6.876 2.915 -2.202 375 H ALA 58 H ALA 58 3.794 2.547 0.748 376 HA ALA 58 HA ALA 58 2.749 3.740 -1.600 377 HB1 ALA 58 1HB ALA 58 1.739 2.158 0.620 378 HB2 ALA 58 2HB ALA 58 0.583 3.369 0.063 379 HB3 ALA 58 3HB ALA 58 1.238 2.188 -1.072 380 H ALA 59 H ALA 59 2.423 4.621 1.840 381 HA ALA 59 HA ALA 59 0.926 6.948 1.473 382 HB1 ALA 59 1HB ALA 59 2.275 5.645 3.631 383 HB2 ALA 59 2HB ALA 59 2.594 7.378 3.698 384 HB3 ALA 59 3HB ALA 59 0.933 6.787 3.685 385 H ARG 60 H ARG 60 4.413 6.423 1.401 386 HA ARG 60 HA ARG 60 5.238 9.097 1.389 387 HB3 ARG 60 2HB ARG 60 6.707 7.056 -0.226 388 HG3 ARG 60 2HG ARG 60 7.458 9.495 0.570 389 HD3 ARG 60 2HD ARG 60 7.385 8.100 2.979 390 HE ARG 60 HE ARG 60 9.941 7.667 1.873 391 HH11 ARG 60 1HH1 ARG 60 8.399 8.727 4.808 392 HH12 ARG 60 2HH1 ARG 60 9.692 8.201 5.833 393 HH21 ARG 60 1HH2 ARG 60 11.651 6.968 3.211 394 HH22 ARG 60 2HH2 ARG 60 11.543 7.201 4.923 395 H ALA 61 H ALA 61 4.319 6.945 -1.264 396 HA ALA 61 HA ALA 61 4.933 8.774 -3.347 397 HB1 ALA 61 1HB ALA 61 3.418 7.257 -4.705 398 HB2 ALA 61 2HB ALA 61 4.818 6.499 -3.947 399 HB3 ALA 61 3HB ALA 61 3.218 6.308 -3.232 400 H MET 62 H MET 62 1.969 8.020 -1.566 401 HA MET 62 HA MET 62 0.300 9.738 -3.105 402 HB3 MET 62 2HB MET 62 -1.356 9.381 -1.338 403 HG3 MET 62 2HG MET 62 -1.559 6.992 -1.366 404 HE1 MET 62 3HE MET 62 -3.346 7.420 -2.670 405 HE2 MET 62 1HE MET 62 -3.436 7.479 -4.431 406 HE3 MET 62 2HE MET 62 -3.004 5.974 -3.620 407 H GLY 63 H GLY 63 2.523 10.238 -0.531 408 HA2 GLY 63 2HA GLY 63 3.331 12.423 -0.016 409 HA3 GLY 63 3HA GLY 63 1.766 13.077 -0.479 410 H LEU 64 H LEU 64 1.182 10.374 1.321 411 HA LEU 64 HA LEU 64 0.161 11.834 3.518 412 HB3 LEU 64 2HB LEU 64 -0.465 9.745 4.438 413 HG LEU 64 HG LEU 64 -0.513 9.436 1.439 414 HD11 LEU 64 1HD1 LEU 64 -2.071 7.893 3.505 415 HD12 LEU 64 2HD1 LEU 64 -0.684 7.266 2.615 416 HD13 LEU 64 3HD1 LEU 64 -2.158 7.710 1.753 417 HD21 LEU 64 3HD2 LEU 64 -2.557 10.470 1.460 418 HD22 LEU 64 1HD2 LEU 64 -1.748 11.339 2.764 419 HD23 LEU 64 2HD2 LEU 64 -2.880 10.041 3.141 420 H SER 65 H SER 65 0.859 10.287 5.738 421 HA SER 65 HA SER 65 3.682 10.171 6.109 422 HB3 SER 65 2HB SER 65 3.592 12.566 6.173 423 HG SER 65 HG SER 65 2.125 13.666 7.456 424 H ALA 66 H ALA 66 1.148 11.236 8.357 425 HA ALA 66 HA ALA 66 1.837 9.254 10.280 426 HB1 ALA 66 1HB ALA 66 -0.512 10.086 11.204 427 HB2 ALA 66 2HB ALA 66 0.954 11.057 11.345 428 HB3 ALA 66 3HB ALA 66 -0.206 11.392 10.059 429 H VAL 67 H VAL 67 -0.043 9.154 7.478 430 HA VAL 67 HA VAL 67 -2.108 7.393 8.206 431 HB VAL 67 HB VAL 67 -0.722 7.702 5.539 432 HG11 VAL 67 1HG1 VAL 67 -3.058 6.083 6.419 433 HG12 VAL 67 2HG1 VAL 67 -3.111 6.841 4.827 434 HG13 VAL 67 3HG1 VAL 67 -1.813 5.716 5.226 435 HG21 VAL 67 3HG2 VAL 67 -1.797 9.746 6.475 436 HG22 VAL 67 1HG2 VAL 67 -2.512 9.190 4.961 437 HG23 VAL 67 2HG2 VAL 67 -3.332 8.876 6.491 438 H ALA 68 H ALA 68 1.240 6.895 7.974 439 HA ALA 68 HA ALA 68 1.742 4.437 7.033 440 HB1 ALA 68 1HB ALA 68 2.733 4.960 9.792 441 HB2 ALA 68 2HB ALA 68 3.594 4.350 8.380 442 HB3 ALA 68 3HB ALA 68 3.194 6.064 8.495 443 H MET 69 H MET 69 0.373 2.756 7.082 444 HA MET 69 HA MET 69 -0.840 1.000 7.866 445 HB3 MET 69 2HB MET 69 -0.147 -0.047 9.842 446 HG3 MET 69 2HG MET 69 2.315 1.571 9.648 447 HE1 MET 69 3HE MET 69 0.609 -1.487 8.541 448 HE2 MET 69 1HE MET 69 1.942 -2.641 8.472 449 HE3 MET 69 2HE MET 69 0.890 -2.595 9.886 450 HA PRO 70 HA PRO 70 -4.014 3.889 9.539 451 HB3 PRO 70 2HB PRO 70 -4.779 4.300 7.412 452 HG3 PRO 70 2HG PRO 70 -4.419 2.777 5.691 453 HD3 PRO 70 2HD PRO 70 -2.278 2.946 6.528 454 H THR 71 H THR 71 -3.884 0.455 8.999 455 HA THR 71 HA THR 71 -5.082 -0.180 11.461 456 HB THR 71 HB THR 71 -7.160 0.538 10.348 457 HG1 THR 71 1HG THR 71 -8.261 -1.562 10.659 458 HG21 THR 71 3HG2 THR 71 -6.102 -0.592 8.089 459 HG22 THR 71 1HG2 THR 71 -7.785 -0.110 8.288 460 HG23 THR 71 2HG2 THR 71 -7.309 -1.783 8.570 461 H ASN 72 H ASN 72 -5.648 -2.600 11.556 462 HA ASN 72 HA ASN 72 -3.454 -4.121 10.922 463 HB3 ASN 72 2HB ASN 72 -6.065 -5.538 10.890 464 HD21 ASN 72 1HD2 ASN 72 -5.781 -7.572 11.505 465 HD22 ASN 72 2HD2 ASN 72 -4.343 -8.211 12.217 466 H PHE 73 H PHE 73 -2.794 -5.382 9.243 467 HA PHE 73 HA PHE 73 -4.432 -5.281 6.795 468 HB3 PHE 73 2HB PHE 73 -2.118 -5.530 5.645 469 HD1 PHE 73 2HD PHE 73 -4.246 -3.994 4.896 470 HD2 PHE 73 1HD PHE 73 -0.952 -2.765 7.296 471 HE1 PHE 73 2HE PHE 73 -4.644 -1.656 4.240 472 HE2 PHE 73 1HE PHE 73 -1.345 -0.425 6.645 473 HZ PHE 73 HZ PHE 73 -3.192 0.131 5.114 474 H ALA 74 H ALA 74 -2.747 -7.230 9.048 475 HA ALA 74 HA ALA 74 -2.090 -9.490 7.587 476 HB1 ALA 74 1HB ALA 74 -3.217 -9.520 10.380 477 HB2 ALA 74 2HB ALA 74 -2.129 -10.698 9.646 478 HB3 ALA 74 3HB ALA 74 -1.557 -9.066 9.992 479 H THR 75 H THR 75 -5.184 -8.216 8.311 480 HA THR 75 HA THR 75 -6.442 -10.683 7.299 481 HB THR 75 HB THR 75 -7.033 -10.394 9.643 482 HG1 THR 75 1HG THR 75 -8.716 -11.224 8.480 483 HG21 THR 75 3HG2 THR 75 -6.849 -7.722 9.208 484 HG22 THR 75 1HG2 THR 75 -7.642 -8.445 10.607 485 HG23 THR 75 2HG2 THR 75 -8.599 -7.938 9.215 486 H ALA 76 H ALA 76 -5.552 -7.843 6.258 487 HA ALA 76 HA ALA 76 -8.094 -7.155 4.950 488 HB1 ALA 76 1HB ALA 76 -7.305 -4.964 4.654 489 HB2 ALA 76 2HB ALA 76 -6.810 -5.410 6.289 490 HB3 ALA 76 3HB ALA 76 -5.634 -5.432 4.975 491 H THR 77 H THR 77 -7.682 -6.140 2.685 492 HA THR 77 HA THR 77 -5.788 -7.858 1.218 493 HB THR 77 HB THR 77 -7.508 -7.628 -0.702 494 HG1 THR 77 1HG THR 77 -9.226 -6.534 -0.146 495 HG21 THR 77 3HG2 THR 77 -7.180 -9.514 1.394 496 HG22 THR 77 1HG2 THR 77 -7.778 -9.791 -0.242 497 HG23 THR 77 2HG2 THR 77 -8.905 -9.384 1.052 498 H VAL 78 H VAL 78 -5.374 -6.984 -1.050 499 HA VAL 78 HA VAL 78 -4.104 -4.534 -0.926 500 HB VAL 78 HB VAL 78 -4.034 -4.569 -3.383 501 HG11 VAL 78 1HG1 VAL 78 -2.763 -6.557 -3.619 502 HG12 VAL 78 2HG1 VAL 78 -2.561 -6.027 -1.948 503 HG13 VAL 78 3HG1 VAL 78 -3.651 -7.360 -2.325 504 HG21 VAL 78 3HG2 VAL 78 -6.141 -5.264 -4.090 505 HG22 VAL 78 1HG2 VAL 78 -5.113 -6.648 -4.456 506 HG23 VAL 78 2HG2 VAL 78 -6.143 -6.669 -3.025 507 H ARG 79 H ARG 79 -7.408 -5.275 -1.897 508 HA ARG 79 HA ARG 79 -8.066 -2.737 -2.935 509 HB3 ARG 79 2HB ARG 79 -10.067 -4.508 -1.568 510 HG3 ARG 79 2HG ARG 79 -10.829 -2.414 -2.663 511 HD3 ARG 79 2HD ARG 79 -9.076 -3.184 -4.681 512 HE ARG 79 HE ARG 79 -11.370 -4.401 -5.429 513 HH11 ARG 79 1HH1 ARG 79 -9.649 -1.617 -6.611 514 HH12 ARG 79 2HH1 ARG 79 -10.176 -1.823 -8.249 515 HH21 ARG 79 1HH2 ARG 79 -12.072 -4.685 -7.581 516 HH22 ARG 79 2HH2 ARG 79 -11.555 -3.568 -8.799 517 H GLU 80 H GLU 80 -8.222 -4.094 0.317 518 HA GLU 80 HA GLU 80 -9.610 -1.918 1.493 519 HB3 GLU 80 2HB GLU 80 -8.494 -2.901 3.637 520 HG3 GLU 80 2HG GLU 80 -10.128 -4.929 2.181 521 H MET 81 H MET 81 -6.162 -2.779 1.367 522 HA MET 81 HA MET 81 -5.226 -0.565 2.827 523 HB3 MET 81 2HB MET 81 -3.836 -2.216 0.710 524 HG3 MET 81 2HG MET 81 -2.493 -0.662 2.892 525 HE1 MET 81 3HE MET 81 -1.010 -2.328 3.569 526 HE2 MET 81 1HE MET 81 -1.423 -3.713 2.558 527 HE3 MET 81 2HE MET 81 0.242 -3.136 2.622 528 H ALA 82 H ALA 82 -5.684 -1.063 -0.650 529 HA ALA 82 HA ALA 82 -4.629 1.452 -1.435 530 HB1 ALA 82 1HB ALA 82 -5.082 0.808 -3.561 531 HB2 ALA 82 2HB ALA 82 -5.208 -0.773 -2.788 532 HB3 ALA 82 3HB ALA 82 -6.666 0.152 -3.144 533 H GLU 83 H GLU 83 -7.924 0.283 -0.839 534 HA GLU 83 HA GLU 83 -9.296 2.593 -1.617 535 HB3 GLU 83 2HB GLU 83 -10.998 1.702 0.177 536 HG3 GLU 83 2HG GLU 83 -11.534 -0.293 -1.325 537 H ALA 84 H ALA 84 -7.875 1.679 1.486 538 HA ALA 84 HA ALA 84 -8.875 3.793 3.028 539 HB1 ALA 84 1HB ALA 84 -7.871 2.547 4.565 540 HB2 ALA 84 2HB ALA 84 -6.935 1.699 3.334 541 HB3 ALA 84 3HB ALA 84 -6.326 3.203 4.024 542 H LEU 85 H LEU 85 -5.820 3.514 1.225 543 HA LEU 85 HA LEU 85 -4.950 6.149 1.876 544 HB3 LEU 85 2HB LEU 85 -3.203 5.773 0.234 545 HG LEU 85 HG LEU 85 -3.728 3.287 1.855 546 HD11 LEU 85 1HD1 LEU 85 -2.208 2.323 0.528 547 HD12 LEU 85 2HD1 LEU 85 -1.043 3.349 1.367 548 HD13 LEU 85 3HD1 LEU 85 -1.713 3.860 -0.183 549 HD21 LEU 85 3HD2 LEU 85 -2.930 5.859 2.591 550 HD22 LEU 85 1HD2 LEU 85 -1.455 4.892 2.591 551 HD23 LEU 85 2HD2 LEU 85 -2.838 4.391 3.565 552 H GLU 86 H GLU 86 -6.819 4.736 -0.719 553 HA GLU 86 HA GLU 86 -6.653 6.820 -2.585 554 HB3 GLU 86 2HB GLU 86 -9.148 5.192 -2.195 555 HG3 GLU 86 2HG GLU 86 -9.616 5.646 -4.318 556 H ALA 87 H ALA 87 -8.992 6.243 0.024 557 HA ALA 87 HA ALA 87 -10.661 8.426 -0.449 558 HB1 ALA 87 1HB ALA 87 -10.824 8.191 2.236 559 HB2 ALA 87 2HB ALA 87 -11.651 7.125 1.099 560 HB3 ALA 87 3HB ALA 87 -10.119 6.630 1.816 561 H ARG 88 H ARG 88 -7.678 8.191 1.435 562 HA ARG 88 HA ARG 88 -7.742 10.732 2.607 563 HB3 ARG 88 2HB ARG 88 -5.436 10.426 3.089 564 HG3 ARG 88 2HG ARG 88 -5.993 7.545 2.871 565 HD3 ARG 88 2HD ARG 88 -4.212 8.377 4.287 566 HE ARG 88 HE ARG 88 -4.681 10.410 5.247 567 HH11 ARG 88 1HH1 ARG 88 -7.216 8.150 6.007 568 HH12 ARG 88 2HH1 ARG 88 -7.976 9.192 7.164 569 HH21 ARG 88 1HH2 ARG 88 -5.672 11.792 6.767 570 HH22 ARG 88 2HH2 ARG 88 -7.098 11.263 7.595 571 H GLU 89 H GLU 89 -6.059 9.672 -0.355 572 HA GLU 89 HA GLU 89 -5.152 12.228 -1.099 573 HB3 GLU 89 2HB GLU 89 -5.132 11.095 -3.457 574 HG3 GLU 89 2HG GLU 89 -3.492 9.447 -1.660 575 H ARG 90 H ARG 90 -8.169 10.545 -1.661 576 HA ARG 90 HA ARG 90 -9.196 12.151 -3.718 577 HB3 ARG 90 2HB ARG 90 -10.625 10.629 -1.534 578 HG3 ARG 90 2HG ARG 90 -11.802 11.489 -4.160 579 HD3 ARG 90 2HD ARG 90 -12.604 9.748 -1.983 580 HE ARG 90 HE ARG 90 -14.902 11.297 -2.714 581 HH11 ARG 90 1HH1 ARG 90 -12.294 10.985 -0.428 582 HH12 ARG 90 2HH1 ARG 90 -13.134 11.813 0.841 583 HH21 ARG 90 1HH2 ARG 90 -16.018 12.388 -1.050 584 HH22 ARG 90 2HH2 ARG 90 -15.253 12.610 0.486 585 H GLU 91 H GLU 91 -8.937 12.665 -0.288 586 HA GLU 91 HA GLU 91 -10.220 15.293 -0.633 587 HB3 GLU 91 2HB GLU 91 -11.701 13.803 0.640 588 HG3 GLU 91 2HG GLU 91 -9.316 12.965 1.915 589 H ALA 92 H ALA 92 -7.446 14.686 -0.889 590 HA ALA 92 HA ALA 92 -6.048 15.303 1.515 591 HB1 ALA 92 1HB ALA 92 -5.379 14.511 -1.120 592 HB2 ALA 92 2HB ALA 92 -4.480 15.985 -0.757 593 HB3 ALA 92 3HB ALA 92 -4.338 14.581 0.302 594 HA PRO 93 HA PRO 93 -6.163 19.686 1.663 595 HB3 PRO 93 2HB PRO 93 -4.790 19.565 3.502 596 HG3 PRO 93 2HG PRO 93 -3.068 18.007 3.612 597 HD3 PRO 93 2HD PRO 93 -4.811 16.628 3.003 598 H HIS 94 H HIS 94 -6.508 20.078 -0.589 599 HA HIS 94 HA HIS 94 -4.090 20.979 -2.012 600 HB3 HIS 94 2HB HIS 94 -4.901 19.135 -3.250 601 HD1 HIS 94 1HD HIS 94 -8.026 21.260 -2.762 602 HD2 HIS 94 2HD HIS 94 -6.889 17.319 -3.421 603 HE1 HIS 94 1HE HIS 94 -10.158 19.928 -2.709 604 H LEU 95 H LEU 95 -4.840 22.547 -3.890 605 HA LEU 95 HA LEU 95 -5.716 24.907 -2.671 606 HB3 LEU 95 2HB LEU 95 -6.231 25.197 -5.397 607 HG LEU 95 HG LEU 95 -3.799 25.808 -3.758 608 HD11 LEU 95 1HD1 LEU 95 -2.484 26.132 -5.517 609 HD12 LEU 95 2HD1 LEU 95 -3.746 27.006 -6.383 610 HD13 LEU 95 3HD1 LEU 95 -3.669 25.247 -6.477 611 HD21 LEU 95 3HD2 LEU 95 -6.176 27.216 -4.751 612 HD22 LEU 95 1HD2 LEU 95 -4.660 28.102 -4.923 613 HD23 LEU 95 2HD2 LEU 95 -5.173 27.533 -3.335 614 H GLU 96 H GLU 96 -7.462 22.396 -4.367 615 HA GLU 96 HA GLU 96 -9.885 23.861 -4.691 616 HB3 GLU 96 2HB GLU 96 -10.440 21.079 -4.574 617 HG3 GLU 96 2HG GLU 96 -9.904 21.876 -7.248 618 H HIS 97 H HIS 97 -11.966 22.731 -3.721 619 HA HIS 97 HA HIS 97 -11.698 21.824 -1.006 620 HB3 HIS 97 2HB HIS 97 -13.358 23.916 -0.459 621 HD1 HIS 97 1HD HIS 97 -11.958 22.535 1.543 622 HD2 HIS 97 2HD HIS 97 -10.065 25.679 -0.404 623 HE1 HIS 97 1HE HIS 97 -10.084 23.238 3.066 624 H HIS 98 H HIS 98 -14.231 23.686 -2.675 625 HA HIS 98 HA HIS 98 -16.222 21.740 -1.976 626 HB3 HIS 98 2HB HIS 98 -17.775 23.211 -3.183 627 HD1 HIS 98 1HD HIS 98 -14.899 25.287 -1.808 628 HD2 HIS 98 2HD HIS 98 -18.803 24.206 -0.884 629 HE1 HIS 98 1HE HIS 98 -15.484 26.587 0.263 630 H HIS 99 H HIS 99 -17.116 20.177 -3.210 631 HA HIS 99 HA HIS 99 -16.975 20.086 -6.038 632 HB3 HIS 99 2HB HIS 99 -15.448 17.768 -5.116 633 HD1 HIS 99 1HD HIS 99 -14.618 16.776 -7.213 634 HD2 HIS 99 2HD HIS 99 -14.985 20.904 -7.509 635 HE1 HIS 99 1HE HIS 99 -13.972 17.341 -9.577 636 H HIS 100 H HIS 100 -17.211 18.177 -3.065 637 HA HIS 100 HA HIS 100 -19.822 17.264 -3.694 638 HB3 HIS 100 2HB HIS 100 -18.767 15.753 -5.222 639 HD1 HIS 100 1HD HIS 100 -16.327 15.767 -5.840 640 HD2 HIS 100 2HD HIS 100 -17.029 14.087 -2.106 641 HE1 HIS 100 1HE HIS 100 -14.135 14.758 -5.134 642 H HIS 101 H HIS 101 -20.718 15.882 -2.016 643 HA HIS 101 HA HIS 101 -19.378 16.353 0.546 644 HB3 HIS 101 2HB HIS 101 -22.216 15.415 0.116 645 HD1 HIS 101 1HD HIS 101 -23.723 16.109 2.220 646 HD2 HIS 101 2HD HIS 101 -19.611 16.200 2.810 647 HE1 HIS 101 1HE HIS 101 -23.402 16.146 4.714 648 H HIS 102 H HIS 102 -20.500 13.810 -1.554 649 HA HIS 102 HA HIS 102 -19.345 11.839 0.300 650 HB3 HIS 102 2HB HIS 102 -21.735 11.269 -1.453 651 HD1 HIS 102 1HD HIS 102 -21.728 10.076 2.005 652 HD2 HIS 102 2HD HIS 102 -20.447 8.678 -1.693 653 HE1 HIS 102 1HE HIS 102 -21.363 7.606 2.309 Start of MODEL 5 1 H1 MET 1 H MET 1 11.730 -6.389 -12.431 2 HA MET 1 HA MET 1 11.893 -5.144 -14.592 3 HB3 MET 1 2HB MET 1 13.181 -6.701 -15.833 4 HG3 MET 1 2HG MET 1 11.777 -8.869 -16.559 5 HE1 MET 1 3HE MET 1 13.040 -10.411 -12.963 6 HE2 MET 1 1HE MET 1 11.765 -10.622 -14.163 7 HE3 MET 1 2HE MET 1 13.284 -11.503 -14.327 8 H ALA 2 H ALA 2 9.952 -4.940 -13.019 9 HA ALA 2 HA ALA 2 7.570 -5.707 -14.538 10 HB1 ALA 2 1HB ALA 2 7.210 -7.337 -13.020 11 HB2 ALA 2 2HB ALA 2 8.223 -6.572 -11.795 12 HB3 ALA 2 3HB ALA 2 6.575 -6.001 -12.059 13 H ARG 3 H ARG 3 6.560 -3.881 -15.020 14 HA ARG 3 HA ARG 3 6.026 -1.924 -12.945 15 HB3 ARG 3 2HB ARG 3 6.792 -0.055 -14.494 16 HG3 ARG 3 2HG ARG 3 8.911 -1.884 -13.385 17 HD3 ARG 3 2HD ARG 3 9.229 1.063 -13.693 18 HE ARG 3 HE ARG 3 10.909 -0.804 -12.728 19 HH11 ARG 3 1HH1 ARG 3 10.991 1.186 -15.584 20 HH12 ARG 3 2HH1 ARG 3 12.721 1.258 -15.643 21 HH21 ARG 3 1HH2 ARG 3 13.188 -0.717 -12.795 22 HH22 ARG 3 2HH2 ARG 3 13.970 0.175 -14.056 23 H ALA 4 H ALA 4 4.496 -0.236 -13.703 24 HA ALA 4 HA ALA 4 2.380 -1.441 -15.200 25 HB1 ALA 4 1HB ALA 4 2.413 0.377 -13.229 26 HB2 ALA 4 2HB ALA 4 2.251 1.451 -14.619 27 HB3 ALA 4 3HB ALA 4 1.060 0.181 -14.343 28 H ASP 5 H ASP 5 4.701 1.157 -15.798 29 HA ASP 5 HA ASP 5 3.606 1.973 -18.283 30 HB3 ASP 5 2HB ASP 5 5.156 3.346 -16.876 31 H ASP 6 H ASP 6 5.344 -0.777 -17.363 32 HA ASP 6 HA ASP 6 6.310 -1.258 -20.093 33 HB3 ASP 6 2HB ASP 6 6.896 -2.973 -17.685 34 H THR 7 H THR 7 4.527 -2.890 -17.480 35 HA THR 7 HA THR 7 3.781 -5.194 -18.790 36 HB THR 7 HB THR 7 1.697 -5.128 -17.338 37 HG1 THR 7 1HG THR 7 1.287 -3.367 -16.205 38 HG21 THR 7 3HG2 THR 7 3.129 -6.278 -16.065 39 HG22 THR 7 1HG2 THR 7 3.461 -4.765 -15.223 40 HG23 THR 7 2HG2 THR 7 4.488 -5.271 -16.565 41 H ALA 8 H ALA 8 1.427 -2.574 -18.313 42 HA ALA 8 HA ALA 8 0.713 -2.645 -21.134 43 HB1 ALA 8 1HB ALA 8 -1.118 -3.528 -18.928 44 HB2 ALA 8 2HB ALA 8 -1.742 -2.889 -20.449 45 HB3 ALA 8 3HB ALA 8 -0.741 -4.340 -20.448 46 H LEU 9 H LEU 9 -1.124 -1.525 -18.317 47 HA LEU 9 HA LEU 9 -1.243 1.138 -19.470 48 HB3 LEU 9 2HB LEU 9 -2.627 1.443 -17.236 49 HG LEU 9 HG LEU 9 -4.682 0.519 -18.273 50 HD11 LEU 9 1HD1 LEU 9 -3.060 2.641 -19.138 51 HD12 LEU 9 2HD1 LEU 9 -4.799 2.451 -19.350 52 HD13 LEU 9 3HD1 LEU 9 -3.692 1.871 -20.593 53 HD21 LEU 9 3HD2 LEU 9 -3.399 -1.390 -19.381 54 HD22 LEU 9 1HD2 LEU 9 -2.970 -0.217 -20.626 55 HD23 LEU 9 2HD2 LEU 9 -4.665 -0.606 -20.328 56 HA PRO 10 HA PRO 10 2.191 2.514 -16.998 57 HB3 PRO 10 2HB PRO 10 2.730 3.861 -18.780 58 HG3 PRO 10 2HG PRO 10 1.082 4.702 -20.188 59 HD3 PRO 10 2HD PRO 10 0.491 2.475 -20.172 60 H ALA 11 H ALA 11 0.355 1.994 -15.265 61 HA ALA 11 HA ALA 11 -0.751 2.617 -13.371 62 HB1 ALA 11 1HB ALA 11 1.327 4.789 -13.545 63 HB2 ALA 11 2HB ALA 11 0.285 4.540 -12.143 64 HB3 ALA 11 3HB ALA 11 1.416 3.280 -12.637 65 H ALA 12 H ALA 12 -2.542 3.075 -15.024 66 HA ALA 12 HA ALA 12 -3.194 5.862 -15.422 67 HB1 ALA 12 1HB ALA 12 -4.944 5.136 -16.778 68 HB2 ALA 12 2HB ALA 12 -3.689 3.922 -17.028 69 HB3 ALA 12 3HB ALA 12 -5.053 3.574 -15.965 70 H THR 13 H THR 13 -4.353 3.173 -13.444 71 HA THR 13 HA THR 13 -6.618 4.383 -12.351 72 HB THR 13 HB THR 13 -4.843 2.511 -10.792 73 HG1 THR 13 1HG THR 13 -6.851 1.582 -12.539 74 HG21 THR 13 3HG2 THR 13 -6.632 3.128 -9.444 75 HG22 THR 13 1HG2 THR 13 -7.223 1.651 -10.204 76 HG23 THR 13 2HG2 THR 13 -7.754 3.222 -10.802 77 H GLY 14 H GLY 14 -3.462 4.008 -10.714 78 HA2 GLY 14 2HA GLY 14 -2.437 6.121 -9.870 79 HA3 GLY 14 3HA GLY 14 -4.045 6.533 -9.293 80 H ALA 15 H ALA 15 -4.489 6.087 -7.239 81 HA ALA 15 HA ALA 15 -2.603 5.013 -5.479 82 HB1 ALA 15 1HB ALA 15 -4.099 5.460 -3.818 83 HB2 ALA 15 2HB ALA 15 -4.783 6.460 -5.101 84 HB3 ALA 15 3HB ALA 15 -5.479 4.878 -4.749 85 H LEU 16 H LEU 16 -5.434 3.522 -7.003 86 HA LEU 16 HA LEU 16 -5.378 1.070 -5.674 87 HB3 LEU 16 2HB LEU 16 -6.078 0.931 -8.518 88 HG LEU 16 HG LEU 16 -8.291 0.231 -7.692 89 HD11 LEU 16 1HD1 LEU 16 -6.179 -1.274 -7.911 90 HD12 LEU 16 2HD1 LEU 16 -7.630 -1.903 -7.129 91 HD13 LEU 16 3HD1 LEU 16 -6.275 -1.342 -6.151 92 HD21 LEU 16 3HD2 LEU 16 -7.203 0.195 -4.911 93 HD22 LEU 16 1HD2 LEU 16 -8.877 0.154 -5.463 94 HD23 LEU 16 2HD2 LEU 16 -7.959 1.658 -5.541 95 H GLU 17 H GLU 17 -3.778 2.048 -8.693 96 HA GLU 17 HA GLU 17 -2.517 -0.474 -9.103 97 HB3 GLU 17 2HB GLU 17 -2.868 1.866 -10.586 98 HG3 GLU 17 2HG GLU 17 -0.640 2.583 -9.588 99 H LEU 18 H LEU 18 -1.637 2.485 -7.453 100 HA LEU 18 HA LEU 18 1.116 2.054 -7.180 101 HB3 LEU 18 2HB LEU 18 -0.445 3.315 -4.976 102 HG LEU 18 HG LEU 18 2.185 3.843 -6.265 103 HD11 LEU 18 1HD1 LEU 18 0.324 5.886 -6.078 104 HD12 LEU 18 2HD1 LEU 18 2.072 6.063 -6.218 105 HD13 LEU 18 3HD1 LEU 18 1.310 6.062 -4.628 106 HD21 LEU 18 3HD2 LEU 18 1.418 2.799 -3.877 107 HD22 LEU 18 1HD2 LEU 18 1.671 4.492 -3.452 108 HD23 LEU 18 2HD2 LEU 18 2.979 3.563 -4.186 109 H VAL 19 H VAL 19 -1.518 1.286 -4.903 110 HA VAL 19 HA VAL 19 0.075 -0.008 -2.993 111 HB VAL 19 HB VAL 19 -2.847 -0.118 -3.647 112 HG11 VAL 19 1HG1 VAL 19 -3.130 -1.554 -1.610 113 HG12 VAL 19 2HG1 VAL 19 -2.417 -2.372 -3.002 114 HG13 VAL 19 3HG1 VAL 19 -1.393 -1.856 -1.662 115 HG21 VAL 19 3HG2 VAL 19 -2.699 1.675 -2.311 116 HG22 VAL 19 1HG2 VAL 19 -2.534 0.507 -0.999 117 HG23 VAL 19 2HG2 VAL 19 -1.098 1.224 -1.729 118 H ARG 20 H ARG 20 -1.940 -1.413 -5.578 119 HA ARG 20 HA ARG 20 -1.279 -4.083 -5.148 120 HB3 ARG 20 2HB ARG 20 -1.760 -4.238 -7.713 121 HG3 ARG 20 2HG ARG 20 -3.662 -3.484 -5.558 122 HD3 ARG 20 2HD ARG 20 -4.518 -2.316 -7.542 123 HE ARG 20 HE ARG 20 -4.025 -3.403 -9.504 124 HH11 ARG 20 1HH1 ARG 20 -5.603 -5.601 -7.314 125 HH12 ARG 20 2HH1 ARG 20 -5.815 -6.842 -8.504 126 HH21 ARG 20 1HH2 ARG 20 -4.298 -5.028 -11.081 127 HH22 ARG 20 2HH2 ARG 20 -5.072 -6.515 -10.647 128 H HIS 21 H HIS 21 0.374 -1.598 -7.024 129 HA HIS 21 HA HIS 21 2.272 -3.314 -8.239 130 HB3 HIS 21 2HB HIS 21 2.541 -0.364 -7.625 131 HD1 HIS 21 1HD HIS 21 3.995 -3.264 -9.504 132 HD2 HIS 21 2HD HIS 21 4.579 0.829 -9.099 133 HE1 HIS 21 1HE HIS 21 6.191 -2.784 -10.631 134 H LEU 22 H LEU 22 2.563 -1.102 -5.456 135 HA LEU 22 HA LEU 22 5.168 -1.777 -4.736 136 HB3 LEU 22 2HB LEU 22 4.500 -0.985 -2.450 137 HG LEU 22 HG LEU 22 3.532 0.879 -4.616 138 HD11 LEU 22 1HD1 LEU 22 2.880 1.864 -2.637 139 HD12 LEU 22 2HD1 LEU 22 4.497 2.532 -2.857 140 HD13 LEU 22 3HD1 LEU 22 4.239 1.198 -1.732 141 HD21 LEU 22 3HD2 LEU 22 6.124 1.549 -3.768 142 HD22 LEU 22 1HD2 LEU 22 5.625 0.950 -5.350 143 HD23 LEU 22 2HD2 LEU 22 6.145 -0.183 -4.103 144 H VAL 23 H VAL 23 2.093 -3.252 -3.818 145 HA VAL 23 HA VAL 23 3.226 -5.087 -1.954 146 HB VAL 23 HB VAL 23 0.578 -5.222 -3.402 147 HG11 VAL 23 1HG1 VAL 23 1.599 -6.710 -0.987 148 HG12 VAL 23 2HG1 VAL 23 -0.080 -6.710 -1.532 149 HG13 VAL 23 3HG1 VAL 23 1.182 -7.394 -2.557 150 HG21 VAL 23 3HG2 VAL 23 -0.372 -3.980 -1.721 151 HG22 VAL 23 1HG2 VAL 23 0.874 -4.414 -0.550 152 HG23 VAL 23 2HG2 VAL 23 1.222 -3.230 -1.811 153 H ALA 24 H ALA 24 2.085 -5.404 -5.308 154 HA ALA 24 HA ALA 24 2.583 -8.113 -5.664 155 HB1 ALA 24 1HB ALA 24 2.808 -7.532 -8.097 156 HB2 ALA 24 2HB ALA 24 1.342 -6.939 -7.315 157 HB3 ALA 24 3HB ALA 24 2.682 -5.836 -7.630 158 H GLU 25 H GLU 25 4.749 -5.357 -6.272 159 HA GLU 25 HA GLU 25 6.939 -6.891 -7.167 160 HB3 GLU 25 2HB GLU 25 8.279 -4.863 -6.716 161 HG3 GLU 25 2HG GLU 25 6.001 -3.449 -7.756 162 H ARG 26 H ARG 26 5.717 -6.185 -4.011 163 HA ARG 26 HA ARG 26 8.142 -6.799 -2.602 164 HB3 ARG 26 2HB ARG 26 6.382 -6.992 -0.654 165 HG3 ARG 26 2HG ARG 26 6.078 -4.324 -0.988 166 HD3 ARG 26 2HD ARG 26 7.399 -5.836 0.718 167 HE ARG 26 HE ARG 26 9.428 -5.327 -1.210 168 HH11 ARG 26 1HH1 ARG 26 8.829 -5.541 2.212 169 HH12 ARG 26 2HH1 ARG 26 10.461 -5.972 2.603 170 HH21 ARG 26 1HH2 ARG 26 11.580 -5.895 -0.708 171 HH22 ARG 26 2HH2 ARG 26 12.025 -6.172 0.941 172 H ALA 27 H ALA 27 5.454 -8.585 -3.847 173 HA ALA 27 HA ALA 27 6.083 -10.947 -2.260 174 HB1 ALA 27 1HB ALA 27 4.176 -11.741 -4.048 175 HB2 ALA 27 2HB ALA 27 3.857 -11.092 -2.439 176 HB3 ALA 27 3HB ALA 27 3.805 -10.029 -3.845 177 H GLU 28 H GLU 28 7.639 -9.633 -4.664 178 HA GLU 28 HA GLU 28 9.077 -10.383 -6.261 179 HB3 GLU 28 2HB GLU 28 8.532 -13.241 -5.623 180 HG3 GLU 28 2HG GLU 28 10.559 -11.907 -6.940 181 H LEU 29 H LEU 29 6.406 -9.892 -6.980 182 HA LEU 29 HA LEU 29 6.242 -11.539 -9.374 183 HB3 LEU 29 2HB LEU 29 3.654 -11.546 -8.909 184 HG LEU 29 HG LEU 29 5.686 -13.515 -8.189 185 HD11 LEU 29 1HD1 LEU 29 4.162 -13.098 -6.082 186 HD12 LEU 29 2HD1 LEU 29 4.602 -14.729 -6.587 187 HD13 LEU 29 3HD1 LEU 29 3.018 -14.075 -7.002 188 HD21 LEU 29 3HD2 LEU 29 4.530 -13.710 -10.254 189 HD22 LEU 29 1HD2 LEU 29 2.959 -13.565 -9.465 190 HD23 LEU 29 2HD2 LEU 29 3.942 -15.008 -9.216 191 HA PRO 30 HA PRO 30 5.091 -7.793 -11.348 192 HB3 PRO 30 2HB PRO 30 5.099 -8.952 -13.332 193 HG3 PRO 30 2HG PRO 30 4.309 -11.136 -13.449 194 HD3 PRO 30 2HD PRO 30 5.733 -11.325 -11.646 195 H VAL 31 H VAL 31 3.430 -6.241 -11.609 196 HA VAL 31 HA VAL 31 1.354 -6.405 -9.647 197 HB VAL 31 HB VAL 31 2.496 -4.282 -10.155 198 HG11 VAL 31 1HG1 VAL 31 2.193 -4.972 -12.776 199 HG12 VAL 31 2HG1 VAL 31 0.946 -3.739 -12.578 200 HG13 VAL 31 3HG1 VAL 31 2.627 -3.363 -12.196 201 HG21 VAL 31 3HG2 VAL 31 0.691 -3.165 -9.463 202 HG22 VAL 31 1HG2 VAL 31 -0.189 -3.508 -10.953 203 HG23 VAL 31 2HG2 VAL 31 -0.186 -4.685 -9.639 204 H GLU 32 H GLU 32 1.582 -7.584 -12.744 205 HA GLU 32 HA GLU 32 -1.129 -7.067 -13.585 206 HB3 GLU 32 2HB GLU 32 0.590 -7.279 -15.277 207 HG3 GLU 32 2HG GLU 32 1.551 -9.414 -13.739 208 H VAL 33 H VAL 33 0.547 -9.477 -11.770 209 HA VAL 33 HA VAL 33 -1.628 -11.406 -12.020 210 HB VAL 33 HB VAL 33 -0.244 -12.907 -10.703 211 HG11 VAL 33 1HG1 VAL 33 0.314 -13.162 -12.919 212 HG12 VAL 33 2HG1 VAL 33 0.954 -11.523 -13.060 213 HG13 VAL 33 3HG1 VAL 33 1.884 -12.767 -12.222 214 HG21 VAL 33 3HG2 VAL 33 0.898 -10.543 -9.725 215 HG22 VAL 33 1HG2 VAL 33 1.325 -12.200 -9.297 216 HG23 VAL 33 2HG2 VAL 33 2.186 -11.375 -10.596 217 H LEU 34 H LEU 34 -0.769 -8.802 -10.060 218 HA LEU 34 HA LEU 34 -1.721 -9.729 -7.549 219 HB3 LEU 34 2HB LEU 34 -1.972 -6.860 -8.048 220 HG LEU 34 HG LEU 34 -0.294 -6.672 -6.215 221 HD11 LEU 34 1HD1 LEU 34 -1.862 -7.846 -4.498 222 HD12 LEU 34 2HD1 LEU 34 -2.887 -8.115 -5.907 223 HD13 LEU 34 3HD1 LEU 34 -2.450 -6.473 -5.436 224 HD21 LEU 34 3HD2 LEU 34 0.613 -8.497 -5.142 225 HD22 LEU 34 1HD2 LEU 34 0.618 -9.040 -6.820 226 HD23 LEU 34 2HD2 LEU 34 -0.642 -9.596 -5.717 227 H ARG 35 H ARG 35 -3.743 -10.115 -6.957 228 HA ARG 35 HA ARG 35 -5.928 -9.011 -8.568 229 HB3 ARG 35 2HB ARG 35 -6.785 -10.875 -6.544 230 HG3 ARG 35 2HG ARG 35 -7.722 -10.293 -8.919 231 HD3 ARG 35 2HD ARG 35 -5.548 -11.230 -9.941 232 HE ARG 35 HE ARG 35 -6.350 -13.580 -8.715 233 HH11 ARG 35 1HH1 ARG 35 -5.514 -12.501 -11.917 234 HH12 ARG 35 2HH1 ARG 35 -4.909 -14.044 -12.421 235 HH21 ARG 35 1HH2 ARG 35 -5.557 -15.617 -9.366 236 HH22 ARG 35 2HH2 ARG 35 -4.935 -15.816 -10.969 237 H ASP 36 H ASP 36 -7.845 -8.202 -7.499 238 HA ASP 36 HA ASP 36 -7.207 -6.386 -5.394 239 HB3 ASP 36 2HB ASP 36 -9.565 -5.712 -5.545 240 H ASP 37 H ASP 37 -8.220 -9.619 -5.454 241 HA ASP 37 HA ASP 37 -9.226 -9.454 -2.694 242 HB3 ASP 37 2HB ASP 37 -10.390 -11.505 -3.064 243 H SER 38 H SER 38 -6.384 -9.610 -3.845 244 HA SER 38 HA SER 38 -5.430 -12.143 -2.813 245 HB3 SER 38 2HB SER 38 -3.403 -11.651 -3.819 246 HG SER 38 HG SER 38 -4.473 -11.521 -5.640 247 H ARG 39 H ARG 39 -5.787 -12.142 -0.620 248 HA ARG 39 HA ARG 39 -5.446 -10.088 1.182 249 HB3 ARG 39 2HB ARG 39 -5.220 -11.786 2.902 250 HG3 ARG 39 2HG ARG 39 -6.924 -13.353 1.103 251 HD3 ARG 39 2HD ARG 39 -6.721 -12.869 3.815 252 HE ARG 39 HE ARG 39 -8.386 -10.865 2.973 253 HH11 ARG 39 1HH1 ARG 39 -8.712 -13.700 4.968 254 HH12 ARG 39 2HH1 ARG 39 -9.954 -13.017 5.963 255 HH21 ARG 39 1HH2 ARG 39 -10.022 -9.954 4.277 256 HH22 ARG 39 2HH2 ARG 39 -10.699 -10.886 5.569 257 H PHE 40 H PHE 40 -3.740 -9.743 2.792 258 HA PHE 40 HA PHE 40 -1.159 -9.601 1.499 259 HB3 PHE 40 2HB PHE 40 -0.488 -8.296 3.473 260 HD1 PHE 40 1HD PHE 40 -0.742 -7.196 1.072 261 HD2 PHE 40 2HD PHE 40 -3.703 -7.124 4.131 262 HE1 PHE 40 1HE PHE 40 -1.759 -5.208 0.037 263 HE2 PHE 40 2HE PHE 40 -4.723 -5.137 3.100 264 HZ PHE 40 HZ PHE 40 -3.752 -4.177 1.050 265 H LEU 41 H LEU 41 -2.431 -12.176 2.556 266 HA LEU 41 HA LEU 41 0.027 -13.251 3.649 267 HB3 LEU 41 2HB LEU 41 -0.850 -14.099 5.651 268 HG LEU 41 HG LEU 41 -0.654 -11.469 5.560 269 HD11 LEU 41 1HD1 LEU 41 -3.586 -11.903 6.110 270 HD12 LEU 41 2HD1 LEU 41 -2.907 -11.110 4.689 271 HD13 LEU 41 3HD1 LEU 41 -2.711 -10.382 6.283 272 HD21 LEU 41 3HD2 LEU 41 -0.274 -11.904 7.700 273 HD22 LEU 41 1HD2 LEU 41 -1.173 -13.416 7.579 274 HD23 LEU 41 2HD2 LEU 41 -2.014 -11.922 7.992 275 H ASP 42 H ASP 42 -3.228 -13.701 2.453 276 HA ASP 42 HA ASP 42 -3.048 -16.544 2.196 277 HB3 ASP 42 2HB ASP 42 -4.918 -14.822 0.591 278 H ASP 43 H ASP 43 -3.204 -13.980 -0.283 279 HA ASP 43 HA ASP 43 -1.785 -15.778 -2.121 280 HB3 ASP 43 2HB ASP 43 -2.627 -13.483 -3.516 281 H LEU 44 H LEU 44 -1.052 -13.448 0.020 282 HA LEU 44 HA LEU 44 1.168 -12.420 -1.624 283 HB3 LEU 44 2HB LEU 44 1.137 -10.433 -0.103 284 HG LEU 44 HG LEU 44 -1.423 -10.839 -1.647 285 HD11 LEU 44 1HD1 LEU 44 -1.284 -8.270 -1.684 286 HD12 LEU 44 2HD1 LEU 44 -0.242 -8.455 -0.273 287 HD13 LEU 44 3HD1 LEU 44 -1.897 -9.059 -0.232 288 HD21 LEU 44 3HD2 LEU 44 0.706 -11.020 -2.936 289 HD22 LEU 44 1HD2 LEU 44 1.091 -9.375 -2.434 290 HD23 LEU 44 2HD2 LEU 44 -0.330 -9.682 -3.432 291 H HIS 45 H HIS 45 0.161 -13.909 1.326 292 HA HIS 45 HA HIS 45 1.285 -14.653 3.172 293 HB3 HIS 45 2HB HIS 45 3.571 -15.069 1.245 294 HD1 HIS 45 1HD HIS 45 5.373 -16.449 2.236 295 HD2 HIS 45 2HD HIS 45 1.834 -16.730 4.395 296 HE1 HIS 45 1HE HIS 45 5.925 -17.847 4.251 297 H MET 46 H MET 46 1.322 -11.981 3.240 298 HA MET 46 HA MET 46 4.104 -11.225 3.825 299 HB3 MET 46 2HB MET 46 3.492 -8.954 3.504 300 HG3 MET 46 2HG MET 46 2.045 -9.056 1.328 301 HE1 MET 46 3HE MET 46 3.197 -7.543 0.531 302 HE2 MET 46 1HE MET 46 4.936 -7.296 0.693 303 HE3 MET 46 2HE MET 46 4.279 -7.990 -0.789 304 H SER 47 H SER 47 4.713 -10.931 5.869 305 HA SER 47 HA SER 47 2.896 -11.426 8.011 306 HB3 SER 47 2HB SER 47 4.807 -11.164 9.464 307 HG SER 47 HG SER 47 6.038 -12.735 8.611 308 H SER 48 H SER 48 2.399 -10.004 9.765 309 HA SER 48 HA SER 48 1.300 -7.591 9.093 310 HB3 SER 48 2HB SER 48 0.613 -8.373 11.168 311 HG SER 48 HG SER 48 2.099 -9.823 11.780 312 H ILE 49 H ILE 49 4.590 -8.222 10.190 313 HA ILE 49 HA ILE 49 5.328 -5.465 10.360 314 HB ILE 49 HB ILE 49 7.066 -7.929 10.181 315 HG13 ILE 49 2HG1 ILE 49 7.339 -7.547 12.635 316 HG21 ILE 49 1HG2 ILE 49 7.799 -5.122 11.004 317 HG22 ILE 49 2HG2 ILE 49 8.870 -6.522 10.992 318 HG23 ILE 49 3HG2 ILE 49 8.234 -5.886 9.475 319 HD11 ILE 49 3HD1 ILE 49 6.561 -5.137 12.564 320 HD12 ILE 49 1HD1 ILE 49 4.922 -5.783 12.473 321 HD13 ILE 49 2HD1 ILE 49 5.935 -6.142 13.872 322 H THR 50 H THR 50 5.747 -8.019 7.947 323 HA THR 50 HA THR 50 7.388 -6.611 6.165 324 HB THR 50 HB THR 50 5.359 -8.777 5.586 325 HG1 THR 50 1HG THR 50 7.047 -9.456 6.949 326 HG21 THR 50 3HG2 THR 50 5.992 -7.402 3.591 327 HG22 THR 50 1HG2 THR 50 6.448 -9.101 3.475 328 HG23 THR 50 2HG2 THR 50 7.666 -7.885 3.858 329 H VAL 51 H VAL 51 3.887 -6.685 6.545 330 HA VAL 51 HA VAL 51 3.190 -5.345 4.178 331 HB VAL 51 HB VAL 51 1.673 -5.036 6.757 332 HG11 VAL 51 1HG1 VAL 51 1.036 -4.903 3.843 333 HG12 VAL 51 2HG1 VAL 51 -0.223 -5.353 4.994 334 HG13 VAL 51 3HG1 VAL 51 0.593 -3.796 5.142 335 HG21 VAL 51 3HG2 VAL 51 0.615 -7.235 5.406 336 HG22 VAL 51 1HG2 VAL 51 2.360 -7.490 5.406 337 HG23 VAL 51 2HG2 VAL 51 1.504 -7.250 6.930 338 H GLY 52 H GLY 52 3.740 -4.079 7.464 339 HA2 GLY 52 2HA GLY 52 3.260 -1.383 6.905 340 HA3 GLY 52 3HA GLY 52 4.288 -1.976 8.201 341 H GLN 53 H GLN 53 6.039 -3.358 6.213 342 HA GLN 53 HA GLN 53 7.932 -1.286 5.889 343 HB3 GLN 53 2HB GLN 53 9.220 -2.961 4.594 344 HG3 GLN 53 2HG GLN 53 9.791 -4.266 6.352 345 HE21 GLN 53 1HE2 GLN 53 7.648 -3.835 8.717 346 HE22 GLN 53 2HE2 GLN 53 8.216 -2.353 9.399 347 H LEU 54 H LEU 54 5.834 -2.968 3.569 348 HA LEU 54 HA LEU 54 6.696 -1.277 1.392 349 HB3 LEU 54 2HB LEU 54 5.923 -3.753 1.319 350 HG LEU 54 HG LEU 54 3.543 -3.010 2.215 351 HD11 LEU 54 1HD1 LEU 54 3.495 -1.538 -0.009 352 HD12 LEU 54 2HD1 LEU 54 2.043 -2.246 0.700 353 HD13 LEU 54 3HD1 LEU 54 2.840 -3.041 -0.657 354 HD21 LEU 54 3HD2 LEU 54 2.750 -4.917 0.441 355 HD22 LEU 54 1HD2 LEU 54 3.571 -5.236 1.968 356 HD23 LEU 54 2HD2 LEU 54 4.497 -5.160 0.470 357 H VAL 55 H VAL 55 4.005 -1.474 3.616 358 HA VAL 55 HA VAL 55 2.161 0.165 2.313 359 HB VAL 55 HB VAL 55 2.109 -1.170 4.644 360 HG11 VAL 55 1HG1 VAL 55 2.170 0.186 6.537 361 HG12 VAL 55 2HG1 VAL 55 3.564 0.728 5.599 362 HG13 VAL 55 3HG1 VAL 55 2.073 1.673 5.593 363 HG21 VAL 55 3HG2 VAL 55 -0.059 -0.128 5.056 364 HG22 VAL 55 1HG2 VAL 55 0.363 1.197 3.970 365 HG23 VAL 55 2HG2 VAL 55 0.173 -0.437 3.335 366 H ASN 56 H ASN 56 5.071 0.953 4.053 367 HA ASN 56 HA ASN 56 4.507 3.704 4.480 368 HB3 ASN 56 2HB ASN 56 7.266 3.510 4.362 369 HD21 ASN 56 1HD2 ASN 56 5.518 1.664 6.766 370 HD22 ASN 56 2HD2 ASN 56 5.603 2.853 8.018 371 H GLU 57 H GLU 57 6.100 1.901 1.900 372 HA GLU 57 HA GLU 57 7.123 4.083 0.463 373 HB3 GLU 57 2HB GLU 57 6.118 1.603 -0.895 374 HG3 GLU 57 2HG GLU 57 7.323 3.416 -2.161 375 H ALA 58 H ALA 58 3.945 2.596 0.511 376 HA ALA 58 HA ALA 58 2.900 3.862 -1.787 377 HB1 ALA 58 1HB ALA 58 1.679 2.550 0.607 378 HB2 ALA 58 2HB ALA 58 0.666 3.405 -0.556 379 HB3 ALA 58 3HB ALA 58 1.656 2.042 -1.081 380 H ALA 59 H ALA 59 2.566 4.668 1.670 381 HA ALA 59 HA ALA 59 1.041 6.958 1.440 382 HB1 ALA 59 1HB ALA 59 2.585 5.694 3.468 383 HB2 ALA 59 2HB ALA 59 2.929 7.425 3.498 384 HB3 ALA 59 3HB ALA 59 1.266 6.853 3.643 385 H ARG 60 H ARG 60 4.535 6.579 1.086 386 HA ARG 60 HA ARG 60 5.235 9.286 0.983 387 HB3 ARG 60 2HB ARG 60 6.625 7.207 -0.679 388 HG3 ARG 60 2HG ARG 60 7.321 9.761 -0.181 389 HD3 ARG 60 2HD ARG 60 7.613 8.696 2.302 390 HE ARG 60 HE ARG 60 9.731 7.535 1.108 391 HH11 ARG 60 1HH1 ARG 60 9.444 10.121 3.422 392 HH12 ARG 60 2HH1 ARG 60 10.966 9.786 4.179 393 HH21 ARG 60 1HH2 ARG 60 11.736 7.084 2.098 394 HH22 ARG 60 2HH2 ARG 60 12.269 8.059 3.426 395 H ALA 61 H ALA 61 4.287 7.050 -1.603 396 HA ALA 61 HA ALA 61 4.602 8.927 -3.711 397 HB1 ALA 61 1HB ALA 61 3.162 7.281 -4.985 398 HB2 ALA 61 2HB ALA 61 4.658 6.644 -4.303 399 HB3 ALA 61 3HB ALA 61 3.118 6.320 -3.507 400 H MET 62 H MET 62 1.825 7.881 -1.776 401 HA MET 62 HA MET 62 -0.072 9.469 -3.190 402 HB3 MET 62 2HB MET 62 -1.609 8.900 -1.394 403 HG3 MET 62 2HG MET 62 -1.586 6.531 -1.450 404 HE1 MET 62 3HE MET 62 -2.912 8.325 -2.782 405 HE2 MET 62 1HE MET 62 -2.256 9.085 -4.233 406 HE3 MET 62 2HE MET 62 -3.346 7.707 -4.376 407 H GLY 63 H GLY 63 2.390 10.281 -1.078 408 HA2 GLY 63 2HA GLY 63 2.983 12.315 -0.175 409 HA3 GLY 63 3HA GLY 63 1.572 13.010 -0.957 410 H LEU 64 H LEU 64 1.969 10.525 1.565 411 HA LEU 64 HA LEU 64 0.068 12.048 3.214 412 HB3 LEU 64 2HB LEU 64 -0.636 10.040 4.196 413 HG LEU 64 HG LEU 64 -0.054 9.052 1.413 414 HD11 LEU 64 1HD1 LEU 64 -2.417 8.554 3.210 415 HD12 LEU 64 2HD1 LEU 64 -1.009 7.495 3.131 416 HD13 LEU 64 3HD1 LEU 64 -2.014 7.735 1.701 417 HD21 LEU 64 3HD2 LEU 64 -2.611 10.144 1.454 418 HD22 LEU 64 1HD2 LEU 64 -1.197 10.785 0.618 419 HD23 LEU 64 2HD2 LEU 64 -1.594 11.353 2.240 420 H SER 65 H SER 65 0.540 10.770 5.641 421 HA SER 65 HA SER 65 3.337 10.968 6.309 422 HB3 SER 65 2HB SER 65 1.373 13.040 7.311 423 HG SER 65 HG SER 65 2.991 13.703 8.677 424 H ALA 66 H ALA 66 0.414 11.578 8.233 425 HA ALA 66 HA ALA 66 1.196 9.580 10.153 426 HB1 ALA 66 1HB ALA 66 -1.489 10.507 10.544 427 HB2 ALA 66 2HB ALA 66 -0.053 10.795 11.527 428 HB3 ALA 66 3HB ALA 66 -0.428 11.868 10.178 429 H VAL 67 H VAL 67 -0.581 9.573 7.275 430 HA VAL 67 HA VAL 67 -2.583 7.681 7.811 431 HB VAL 67 HB VAL 67 -1.107 8.154 5.217 432 HG11 VAL 67 1HG1 VAL 67 -3.484 6.515 5.945 433 HG12 VAL 67 2HG1 VAL 67 -3.465 7.335 4.382 434 HG13 VAL 67 3HG1 VAL 67 -2.194 6.182 4.790 435 HG21 VAL 67 3HG2 VAL 67 -2.057 10.209 5.743 436 HG22 VAL 67 1HG2 VAL 67 -3.297 9.445 4.749 437 HG23 VAL 67 2HG2 VAL 67 -3.468 9.475 6.505 438 H ALA 68 H ALA 68 0.800 7.344 7.644 439 HA ALA 68 HA ALA 68 1.325 4.889 6.605 440 HB1 ALA 68 1HB ALA 68 2.607 5.205 9.203 441 HB2 ALA 68 2HB ALA 68 3.316 5.120 7.589 442 HB3 ALA 68 3HB ALA 68 2.696 6.654 8.201 443 H MET 69 H MET 69 0.072 3.137 6.793 444 HA MET 69 HA MET 69 -0.948 1.320 7.709 445 HB3 MET 69 2HB MET 69 -0.153 0.454 9.733 446 HG3 MET 69 2HG MET 69 2.190 2.205 9.469 447 HE1 MET 69 3HE MET 69 0.831 -0.982 8.155 448 HE2 MET 69 1HE MET 69 1.999 -2.223 8.606 449 HE3 MET 69 2HE MET 69 0.716 -1.772 9.728 450 HA PRO 70 HA PRO 70 -4.317 4.054 9.250 451 HB3 PRO 70 2HB PRO 70 -5.141 4.261 7.116 452 HG3 PRO 70 2HG PRO 70 -4.684 2.660 5.493 453 HD3 PRO 70 2HD PRO 70 -2.552 3.051 6.277 454 H THR 71 H THR 71 -4.167 0.573 8.720 455 HA THR 71 HA THR 71 -5.181 0.004 11.316 456 HB THR 71 HB THR 71 -7.309 0.571 10.128 457 HG1 THR 71 1HG THR 71 -8.328 -1.478 10.776 458 HG21 THR 71 3HG2 THR 71 -6.215 -0.919 8.061 459 HG22 THR 71 1HG2 THR 71 -7.873 -0.328 8.160 460 HG23 THR 71 2HG2 THR 71 -7.482 -1.957 8.710 461 H ASN 72 H ASN 72 -5.690 -2.464 11.468 462 HA ASN 72 HA ASN 72 -3.409 -3.893 10.908 463 HB3 ASN 72 2HB ASN 72 -6.088 -5.257 10.985 464 HD21 ASN 72 1HD2 ASN 72 -5.617 -6.748 13.187 465 HD22 ASN 72 2HD2 ASN 72 -4.270 -7.798 12.925 466 H PHE 73 H PHE 73 -2.734 -5.291 9.312 467 HA PHE 73 HA PHE 73 -4.329 -5.297 6.834 468 HB3 PHE 73 2HB PHE 73 -2.019 -5.475 5.694 469 HD1 PHE 73 2HD PHE 73 -4.093 -4.011 4.832 470 HD2 PHE 73 1HD PHE 73 -1.000 -2.654 7.423 471 HE1 PHE 73 2HE PHE 73 -4.548 -1.689 4.155 472 HE2 PHE 73 1HE PHE 73 -1.451 -0.331 6.751 473 HZ PHE 73 HZ PHE 73 -3.227 0.154 5.113 474 H ALA 74 H ALA 74 -3.054 -7.146 9.272 475 HA ALA 74 HA ALA 74 -2.152 -9.433 7.859 476 HB1 ALA 74 1HB ALA 74 -3.313 -9.474 10.631 477 HB2 ALA 74 2HB ALA 74 -2.071 -10.522 9.942 478 HB3 ALA 74 3HB ALA 74 -1.705 -8.832 10.289 479 H THR 75 H THR 75 -5.183 -8.106 8.063 480 HA THR 75 HA THR 75 -6.420 -10.649 7.284 481 HB THR 75 HB THR 75 -7.056 -10.333 9.611 482 HG1 THR 75 1HG THR 75 -8.931 -11.059 8.979 483 HG21 THR 75 3HG2 THR 75 -6.943 -7.647 9.084 484 HG22 THR 75 1HG2 THR 75 -7.641 -8.369 10.534 485 HG23 THR 75 2HG2 THR 75 -8.681 -7.936 9.175 486 H ALA 76 H ALA 76 -5.570 -7.797 6.224 487 HA ALA 76 HA ALA 76 -8.101 -7.174 4.864 488 HB1 ALA 76 1HB ALA 76 -7.308 -4.983 4.507 489 HB2 ALA 76 2HB ALA 76 -6.881 -5.380 6.172 490 HB3 ALA 76 3HB ALA 76 -5.651 -5.434 4.910 491 H THR 77 H THR 77 -7.676 -6.201 2.583 492 HA THR 77 HA THR 77 -5.799 -7.981 1.167 493 HB THR 77 HB THR 77 -7.492 -7.585 -0.795 494 HG1 THR 77 1HG THR 77 -9.506 -7.038 -0.189 495 HG21 THR 77 3HG2 THR 77 -7.755 -9.473 1.517 496 HG22 THR 77 1HG2 THR 77 -7.189 -9.790 -0.123 497 HG23 THR 77 2HG2 THR 77 -8.906 -9.530 0.182 498 H VAL 78 H VAL 78 -5.252 -7.137 -1.072 499 HA VAL 78 HA VAL 78 -3.887 -4.737 -0.907 500 HB VAL 78 HB VAL 78 -3.510 -4.868 -3.253 501 HG11 VAL 78 1HG1 VAL 78 -3.662 -7.702 -3.180 502 HG12 VAL 78 2HG1 VAL 78 -2.254 -6.669 -2.929 503 HG13 VAL 78 3HG1 VAL 78 -3.265 -7.132 -1.560 504 HG21 VAL 78 3HG2 VAL 78 -5.799 -5.034 -4.022 505 HG22 VAL 78 1HG2 VAL 78 -4.838 -6.334 -4.727 506 HG23 VAL 78 2HG2 VAL 78 -5.924 -6.673 -3.381 507 H ARG 79 H ARG 79 -7.173 -5.361 -1.994 508 HA ARG 79 HA ARG 79 -7.668 -2.798 -3.087 509 HB3 ARG 79 2HB ARG 79 -9.537 -4.909 -2.007 510 HG3 ARG 79 2HG ARG 79 -11.057 -3.563 -3.760 511 HD3 ARG 79 2HD ARG 79 -10.749 -3.034 -0.809 512 HE ARG 79 HE ARG 79 -12.524 -1.751 -2.605 513 HH11 ARG 79 1HH1 ARG 79 -12.396 -3.253 0.532 514 HH12 ARG 79 2HH1 ARG 79 -13.709 -2.323 1.175 515 HH21 ARG 79 1HH2 ARG 79 -14.254 -0.520 -1.771 516 HH22 ARG 79 2HH2 ARG 79 -14.766 -0.770 -0.136 517 H GLU 80 H GLU 80 -8.094 -4.174 0.134 518 HA GLU 80 HA GLU 80 -9.511 -2.015 1.262 519 HB3 GLU 80 2HB GLU 80 -8.616 -2.946 3.451 520 HG3 GLU 80 2HG GLU 80 -9.963 -4.820 1.525 521 H MET 81 H MET 81 -6.041 -2.796 1.262 522 HA MET 81 HA MET 81 -5.213 -0.547 2.738 523 HB3 MET 81 2HB MET 81 -3.711 -2.204 0.704 524 HG3 MET 81 2HG MET 81 -2.382 -0.695 2.901 525 HE1 MET 81 3HE MET 81 -0.922 -2.362 3.329 526 HE2 MET 81 1HE MET 81 -1.032 -3.674 2.154 527 HE3 MET 81 2HE MET 81 0.489 -2.808 2.369 528 H ALA 82 H ALA 82 -5.614 -1.079 -0.732 529 HA ALA 82 HA ALA 82 -4.530 1.418 -1.541 530 HB1 ALA 82 1HB ALA 82 -5.332 0.901 -3.713 531 HB2 ALA 82 2HB ALA 82 -4.811 -0.621 -2.989 532 HB3 ALA 82 3HB ALA 82 -6.528 -0.230 -3.076 533 H GLU 83 H GLU 83 -7.879 0.274 -1.138 534 HA GLU 83 HA GLU 83 -9.155 2.655 -1.857 535 HB3 GLU 83 2HB GLU 83 -10.933 1.655 -0.128 536 HG3 GLU 83 2HG GLU 83 -11.757 0.130 -1.848 537 H ALA 84 H ALA 84 -7.805 1.588 1.206 538 HA ALA 84 HA ALA 84 -8.892 3.698 2.775 539 HB1 ALA 84 1HB ALA 84 -8.220 2.243 4.318 540 HB2 ALA 84 2HB ALA 84 -7.138 1.434 3.184 541 HB3 ALA 84 3HB ALA 84 -6.586 2.858 4.065 542 H LEU 85 H LEU 85 -5.826 3.225 1.080 543 HA LEU 85 HA LEU 85 -4.622 5.623 2.034 544 HB3 LEU 85 2HB LEU 85 -3.194 5.186 -0.139 545 HG LEU 85 HG LEU 85 -3.106 3.227 2.156 546 HD11 LEU 85 1HD1 LEU 85 -1.835 2.221 0.499 547 HD12 LEU 85 2HD1 LEU 85 -0.644 3.170 1.389 548 HD13 LEU 85 3HD1 LEU 85 -1.273 3.763 -0.148 549 HD21 LEU 85 3HD2 LEU 85 -2.704 5.950 2.214 550 HD22 LEU 85 1HD2 LEU 85 -1.075 5.305 2.010 551 HD23 LEU 85 2HD2 LEU 85 -2.066 4.782 3.372 552 H GLU 86 H GLU 86 -6.300 4.748 -0.967 553 HA GLU 86 HA GLU 86 -5.970 7.229 -2.259 554 HB3 GLU 86 2HB GLU 86 -6.770 4.936 -3.192 555 HG3 GLU 86 2HG GLU 86 -9.412 6.201 -2.501 556 H ALA 87 H ALA 87 -8.335 6.049 0.041 557 HA ALA 87 HA ALA 87 -10.243 8.107 -0.278 558 HB1 ALA 87 1HB ALA 87 -10.673 7.380 2.254 559 HB2 ALA 87 2HB ALA 87 -11.182 6.399 0.879 560 HB3 ALA 87 3HB ALA 87 -9.690 6.011 1.735 561 H ARG 88 H ARG 88 -7.558 7.707 2.021 562 HA ARG 88 HA ARG 88 -7.955 10.038 3.494 563 HB3 ARG 88 2HB ARG 88 -5.719 9.777 4.278 564 HG3 ARG 88 2HG ARG 88 -5.731 6.980 3.852 565 HD3 ARG 88 2HD ARG 88 -5.082 7.946 5.933 566 HE ARG 88 HE ARG 88 -7.438 9.522 5.744 567 HH11 ARG 88 1HH1 ARG 88 -5.284 8.012 8.025 568 HH12 ARG 88 2HH1 ARG 88 -5.627 9.141 9.294 569 HH21 ARG 88 1HH2 ARG 88 -7.896 11.015 7.407 570 HH22 ARG 88 2HH2 ARG 88 -7.113 10.847 8.942 571 H GLU 89 H GLU 89 -5.557 9.571 0.889 572 HA GLU 89 HA GLU 89 -4.803 12.231 0.637 573 HB3 GLU 89 2HB GLU 89 -3.451 10.639 -0.447 574 HG3 GLU 89 2HG GLU 89 -5.834 9.310 -1.071 575 H ARG 90 H ARG 90 -7.562 10.535 -0.690 576 HA ARG 90 HA ARG 90 -8.335 12.443 -2.610 577 HB3 ARG 90 2HB ARG 90 -9.874 10.353 -1.080 578 HG3 ARG 90 2HG ARG 90 -11.342 10.934 -3.350 579 HD3 ARG 90 2HD ARG 90 -11.847 10.453 -0.754 580 HE ARG 90 HE ARG 90 -11.801 13.266 -0.822 581 HH11 ARG 90 1HH1 ARG 90 -13.794 10.625 0.267 582 HH12 ARG 90 2HH1 ARG 90 -14.511 11.528 1.560 583 HH21 ARG 90 1HH2 ARG 90 -12.739 14.464 0.877 584 HH22 ARG 90 2HH2 ARG 90 -13.910 13.712 1.905 585 H GLU 91 H GLU 91 -8.846 12.227 0.844 586 HA GLU 91 HA GLU 91 -10.651 14.524 0.799 587 HB3 GLU 91 2HB GLU 91 -9.737 12.839 3.137 588 HG3 GLU 91 2HG GLU 91 -11.694 15.063 2.879 589 H ALA 92 H ALA 92 -7.363 13.749 1.325 590 HA ALA 92 HA ALA 92 -6.852 16.211 2.817 591 HB1 ALA 92 1HB ALA 92 -5.486 14.747 3.834 592 HB2 ALA 92 2HB ALA 92 -5.434 13.666 2.441 593 HB3 ALA 92 3HB ALA 92 -4.407 15.099 2.484 594 HA PRO 93 HA PRO 93 -5.325 18.530 -0.581 595 HB3 PRO 93 2HB PRO 93 -4.828 20.210 0.906 596 HG3 PRO 93 2HG PRO 93 -3.981 19.730 3.018 597 HD3 PRO 93 2HD PRO 93 -5.791 18.303 2.983 598 H HIS 94 H HIS 94 -4.652 16.962 -2.057 599 HA HIS 94 HA HIS 94 -2.292 15.458 -1.884 600 HB3 HIS 94 2HB HIS 94 -3.327 16.289 -4.558 601 HD1 HIS 94 1HD HIS 94 -2.087 14.877 -6.144 602 HD2 HIS 94 2HD HIS 94 -2.728 12.924 -2.533 603 HE1 HIS 94 1HE HIS 94 -1.036 12.608 -6.411 604 H LEU 95 H LEU 95 -0.498 15.657 -3.586 605 HA LEU 95 HA LEU 95 0.846 18.129 -3.138 606 HB3 LEU 95 2HB LEU 95 2.013 15.977 -3.293 607 HG LEU 95 HG LEU 95 0.729 15.719 -5.852 608 HD11 LEU 95 1HD1 LEU 95 2.745 16.728 -6.762 609 HD12 LEU 95 2HD1 LEU 95 2.676 15.010 -7.156 610 HD13 LEU 95 3HD1 LEU 95 3.741 15.576 -5.870 611 HD21 LEU 95 3HD2 LEU 95 0.926 14.030 -4.027 612 HD22 LEU 95 1HD2 LEU 95 2.634 13.865 -4.434 613 HD23 LEU 95 2HD2 LEU 95 1.399 13.437 -5.619 614 H GLU 96 H GLU 96 2.140 18.838 -5.367 615 HA GLU 96 HA GLU 96 0.208 20.338 -6.794 616 HB3 GLU 96 2HB GLU 96 2.967 19.896 -7.866 617 HG3 GLU 96 2HG GLU 96 0.965 21.739 -8.406 618 H HIS 97 H HIS 97 -1.253 18.957 -7.780 619 HA HIS 97 HA HIS 97 -0.630 18.100 -10.388 620 HB3 HIS 97 2HB HIS 97 -1.279 15.725 -8.692 621 HD1 HIS 97 1HD HIS 97 -1.493 13.790 -10.205 622 HD2 HIS 97 2HD HIS 97 0.916 16.755 -11.836 623 HE1 HIS 97 1HE HIS 97 -0.869 12.964 -12.497 624 H HIS 98 H HIS 98 -2.483 16.950 -11.421 625 HA HIS 98 HA HIS 98 -5.010 17.166 -9.983 626 HB3 HIS 98 2HB HIS 98 -4.584 18.541 -12.643 627 HD1 HIS 98 1HD HIS 98 -6.949 19.214 -9.760 628 HD2 HIS 98 2HD HIS 98 -7.035 18.178 -13.782 629 HE1 HIS 98 1HE HIS 98 -9.374 19.296 -10.424 630 H HIS 99 H HIS 99 -6.353 15.545 -10.478 631 HA HIS 99 HA HIS 99 -6.510 14.360 -13.063 632 HB3 HIS 99 2HB HIS 99 -5.775 12.173 -11.315 633 HD1 HIS 99 1HD HIS 99 -2.862 12.290 -12.994 634 HD2 HIS 99 2HD HIS 99 -6.768 12.106 -14.398 635 HE1 HIS 99 1HE HIS 99 -2.698 11.336 -15.315 636 H HIS 100 H HIS 100 -8.624 14.047 -13.213 637 HA HIS 100 HA HIS 100 -10.761 13.426 -12.745 638 HB3 HIS 100 2HB HIS 100 -11.123 11.500 -11.329 639 HD1 HIS 100 1HD HIS 100 -10.891 11.096 -14.087 640 HD2 HIS 100 2HD HIS 100 -7.668 10.103 -11.662 641 HE1 HIS 100 1HE HIS 100 -9.496 9.504 -15.444 642 H HIS 101 H HIS 101 -12.429 13.332 -10.894 643 HA HIS 101 HA HIS 101 -11.979 15.691 -9.247 644 HB3 HIS 101 2HB HIS 101 -14.492 15.170 -8.678 645 HD1 HIS 101 1HD HIS 101 -15.612 17.262 -9.347 646 HD2 HIS 101 2HD HIS 101 -12.968 15.933 -12.264 647 HE1 HIS 101 1HE HIS 101 -15.664 19.014 -11.150 648 H HIS 102 H HIS 102 -13.193 15.531 -7.012 649 HA HIS 102 HA HIS 102 -13.021 14.790 -4.866 650 HB3 HIS 102 2HB HIS 102 -13.115 12.011 -5.044 651 HD1 HIS 102 1HD HIS 102 -14.544 11.760 -3.051 652 HD2 HIS 102 2HD HIS 102 -16.043 14.619 -5.665 653 HE1 HIS 102 1HE HIS 102 -16.706 12.538 -2.029 Start of MODEL 6 1 H1 MET 1 H MET 1 2.521 -10.400 -23.994 2 HA MET 1 HA MET 1 1.108 -7.961 -24.589 3 HB3 MET 1 2HB MET 1 -0.504 -8.931 -22.826 4 HG3 MET 1 2HG MET 1 -0.528 -9.259 -25.428 5 HE1 MET 1 3HE MET 1 -2.061 -11.747 -26.300 6 HE2 MET 1 1HE MET 1 -1.176 -13.271 -26.356 7 HE3 MET 1 2HE MET 1 -1.927 -12.742 -24.850 8 H ALA 2 H ALA 2 1.845 -6.140 -23.688 9 HA ALA 2 HA ALA 2 1.856 -5.909 -20.811 10 HB1 ALA 2 1HB ALA 2 4.391 -5.608 -22.402 11 HB2 ALA 2 2HB ALA 2 4.170 -4.887 -20.807 12 HB3 ALA 2 3HB ALA 2 4.094 -6.639 -21.001 13 H ARG 3 H ARG 3 0.429 -4.270 -20.759 14 HA ARG 3 HA ARG 3 1.184 -1.787 -22.141 15 HB3 ARG 3 2HB ARG 3 -1.185 -1.334 -22.609 16 HG3 ARG 3 2HG ARG 3 0.123 -3.730 -23.747 17 HD3 ARG 3 2HD ARG 3 -2.536 -3.038 -24.851 18 HE ARG 3 HE ARG 3 -0.733 -5.230 -25.065 19 HH11 ARG 3 1HH1 ARG 3 -4.102 -4.365 -25.199 20 HH12 ARG 3 2HH1 ARG 3 -4.533 -5.681 -26.239 21 HH21 ARG 3 1HH2 ARG 3 -1.288 -6.968 -26.434 22 HH22 ARG 3 2HH2 ARG 3 -2.932 -7.162 -26.940 23 H ALA 4 H ALA 4 -0.162 0.104 -21.222 24 HA ALA 4 HA ALA 4 0.473 0.435 -18.529 25 HB1 ALA 4 1HB ALA 4 -0.130 2.554 -18.883 26 HB2 ALA 4 2HB ALA 4 -0.423 2.066 -20.552 27 HB3 ALA 4 3HB ALA 4 -1.755 2.097 -19.395 28 H ASP 5 H ASP 5 -2.378 -0.869 -20.042 29 HA ASP 5 HA ASP 5 -4.010 -0.730 -17.676 30 HB3 ASP 5 2HB ASP 5 -5.042 -0.673 -19.894 31 H ASP 6 H ASP 6 -4.565 -2.388 -16.290 32 HA ASP 6 HA ASP 6 -2.671 -4.619 -16.226 33 HB3 ASP 6 2HB ASP 6 -2.965 -3.175 -14.205 34 H THR 7 H THR 7 -4.038 -6.475 -14.762 35 HA THR 7 HA THR 7 -5.379 -7.973 -16.646 36 HB THR 7 HB THR 7 -6.546 -8.847 -14.319 37 HG1 THR 7 1HG THR 7 -5.503 -7.395 -12.990 38 HG21 THR 7 3HG2 THR 7 -3.878 -9.466 -15.565 39 HG22 THR 7 1HG2 THR 7 -5.395 -10.346 -15.738 40 HG23 THR 7 2HG2 THR 7 -4.522 -10.387 -14.207 41 H ALA 8 H ALA 8 -7.302 -7.826 -17.585 42 HA ALA 8 HA ALA 8 -9.477 -7.300 -18.008 43 HB1 ALA 8 1HB ALA 8 -9.373 -7.609 -15.107 44 HB2 ALA 8 2HB ALA 8 -10.678 -6.561 -15.660 45 HB3 ALA 8 3HB ALA 8 -10.553 -8.210 -16.271 46 H LEU 9 H LEU 9 -9.238 -5.147 -15.224 47 HA LEU 9 HA LEU 9 -9.896 -2.890 -16.923 48 HB3 LEU 9 2HB LEU 9 -9.511 -1.914 -14.370 49 HG LEU 9 HG LEU 9 -11.552 -1.603 -15.862 50 HD11 LEU 9 1HD1 LEU 9 -12.373 -4.132 -14.443 51 HD12 LEU 9 2HD1 LEU 9 -12.136 -3.928 -16.178 52 HD13 LEU 9 3HD1 LEU 9 -13.452 -3.083 -15.362 53 HD21 LEU 9 3HD2 LEU 9 -13.063 -1.548 -13.704 54 HD22 LEU 9 1HD2 LEU 9 -11.717 -0.427 -13.908 55 HD23 LEU 9 2HD2 LEU 9 -11.525 -1.859 -12.897 56 HA PRO 10 HA PRO 10 -5.916 -1.067 -17.208 57 HB3 PRO 10 2HB PRO 10 -6.897 0.677 -18.336 58 HG3 PRO 10 2HG PRO 10 -8.983 1.490 -17.707 59 HD3 PRO 10 2HD PRO 10 -9.452 -0.763 -17.818 60 H ALA 11 H ALA 11 -4.315 0.332 -16.081 61 HA ALA 11 HA ALA 11 -4.733 0.278 -13.162 62 HB1 ALA 11 1HB ALA 11 -3.104 -1.309 -13.389 63 HB2 ALA 11 2HB ALA 11 -2.411 -0.553 -14.825 64 HB3 ALA 11 3HB ALA 11 -2.104 0.136 -13.231 65 H ALA 12 H ALA 12 -5.150 2.441 -15.211 66 HA ALA 12 HA ALA 12 -3.088 4.385 -14.638 67 HB1 ALA 12 1HB ALA 12 -3.814 4.913 -16.699 68 HB2 ALA 12 2HB ALA 12 -5.407 4.202 -16.434 69 HB3 ALA 12 3HB ALA 12 -5.050 5.820 -15.828 70 H THR 13 H THR 13 -5.614 3.215 -12.898 71 HA THR 13 HA THR 13 -7.027 5.355 -11.896 72 HB THR 13 HB THR 13 -7.624 3.125 -11.232 73 HG1 THR 13 1HG THR 13 -8.124 3.626 -9.179 74 HG21 THR 13 3HG2 THR 13 -4.987 2.597 -11.039 75 HG22 THR 13 1HG2 THR 13 -6.238 1.584 -10.319 76 HG23 THR 13 2HG2 THR 13 -5.391 2.775 -9.331 77 H GLY 14 H GLY 14 -3.851 4.159 -10.849 78 HA2 GLY 14 2HA GLY 14 -2.143 5.719 -10.178 79 HA3 GLY 14 3HA GLY 14 -3.408 6.773 -9.565 80 H ALA 15 H ALA 15 -4.572 6.077 -7.642 81 HA ALA 15 HA ALA 15 -2.853 5.268 -5.583 82 HB1 ALA 15 1HB ALA 15 -4.659 5.507 -4.142 83 HB2 ALA 15 2HB ALA 15 -5.063 6.593 -5.471 84 HB3 ALA 15 3HB ALA 15 -5.828 5.009 -5.365 85 H LEU 16 H LEU 16 -5.529 3.482 -7.122 86 HA LEU 16 HA LEU 16 -5.232 1.097 -5.716 87 HB3 LEU 16 2HB LEU 16 -5.999 0.488 -8.380 88 HG LEU 16 HG LEU 16 -8.325 0.374 -7.461 89 HD11 LEU 16 1HD1 LEU 16 -6.516 -1.453 -7.363 90 HD12 LEU 16 2HD1 LEU 16 -7.946 -1.629 -6.347 91 HD13 LEU 16 3HD1 LEU 16 -6.429 -1.067 -5.644 92 HD21 LEU 16 3HD2 LEU 16 -7.007 1.027 -4.831 93 HD22 LEU 16 1HD2 LEU 16 -8.716 0.714 -5.134 94 HD23 LEU 16 2HD2 LEU 16 -7.963 2.180 -5.765 95 H GLU 17 H GLU 17 -3.663 2.208 -8.682 96 HA GLU 17 HA GLU 17 -2.282 -0.233 -9.178 97 HB3 GLU 17 2HB GLU 17 -2.656 2.213 -10.517 98 HG3 GLU 17 2HG GLU 17 -0.433 2.853 -9.484 99 H LEU 18 H LEU 18 -1.555 2.688 -7.382 100 HA LEU 18 HA LEU 18 1.200 2.321 -7.034 101 HB3 LEU 18 2HB LEU 18 -0.453 3.476 -4.842 102 HG LEU 18 HG LEU 18 2.178 4.146 -6.075 103 HD11 LEU 18 1HD1 LEU 18 0.233 6.102 -5.778 104 HD12 LEU 18 2HD1 LEU 18 1.973 6.352 -5.912 105 HD13 LEU 18 3HD1 LEU 18 1.221 6.236 -4.322 106 HD21 LEU 18 3HD2 LEU 18 1.451 2.932 -3.762 107 HD22 LEU 18 1HD2 LEU 18 1.611 4.607 -3.231 108 HD23 LEU 18 2HD2 LEU 18 2.972 3.793 -4.004 109 H VAL 19 H VAL 19 -1.482 1.433 -4.859 110 HA VAL 19 HA VAL 19 0.132 0.074 -2.984 111 HB VAL 19 HB VAL 19 -2.809 0.062 -3.568 112 HG11 VAL 19 1HG1 VAL 19 -3.071 -1.391 -1.537 113 HG12 VAL 19 2HG1 VAL 19 -2.427 -2.209 -2.962 114 HG13 VAL 19 3HG1 VAL 19 -1.347 -1.740 -1.649 115 HG21 VAL 19 3HG2 VAL 19 -2.619 1.816 -2.196 116 HG22 VAL 19 1HG2 VAL 19 -2.374 0.634 -0.910 117 HG23 VAL 19 2HG2 VAL 19 -0.983 1.365 -1.711 118 H ARG 20 H ARG 20 -1.951 -1.161 -5.599 119 HA ARG 20 HA ARG 20 -1.442 -3.870 -5.263 120 HB3 ARG 20 2HB ARG 20 -1.801 -3.817 -7.899 121 HG3 ARG 20 2HG ARG 20 -3.802 -3.292 -5.746 122 HD3 ARG 20 2HD ARG 20 -4.530 -2.141 -7.863 123 HE ARG 20 HE ARG 20 -3.690 -4.312 -9.217 124 HH11 ARG 20 1HH1 ARG 20 -6.838 -2.912 -8.720 125 HH12 ARG 20 2HH1 ARG 20 -7.462 -3.452 -10.243 126 HH21 ARG 20 1HH2 ARG 20 -4.499 -5.029 -11.225 127 HH22 ARG 20 2HH2 ARG 20 -6.132 -4.657 -11.667 128 H HIS 21 H HIS 21 0.401 -1.422 -7.003 129 HA HIS 21 HA HIS 21 2.223 -3.184 -8.253 130 HB3 HIS 21 2HB HIS 21 2.670 -0.301 -7.453 131 HD1 HIS 21 1HD HIS 21 4.026 -3.197 -9.387 132 HD2 HIS 21 2HD HIS 21 4.787 0.855 -8.873 133 HE1 HIS 21 1HE HIS 21 6.273 -2.795 -10.444 134 H LEU 22 H LEU 22 2.705 -1.072 -5.415 135 HA LEU 22 HA LEU 22 5.191 -2.079 -4.667 136 HB3 LEU 22 2HB LEU 22 4.725 -1.140 -2.454 137 HG LEU 22 HG LEU 22 3.669 0.662 -4.633 138 HD11 LEU 22 1HD1 LEU 22 4.187 2.489 -3.112 139 HD12 LEU 22 2HD1 LEU 22 4.655 1.335 -1.864 140 HD13 LEU 22 3HD1 LEU 22 2.980 1.412 -2.412 141 HD21 LEU 22 3HD2 LEU 22 6.337 1.101 -3.507 142 HD22 LEU 22 1HD2 LEU 22 5.788 1.142 -5.183 143 HD23 LEU 22 2HD2 LEU 22 6.167 -0.401 -4.417 144 H VAL 23 H VAL 23 1.949 -3.216 -3.916 145 HA VAL 23 HA VAL 23 2.752 -5.136 -1.970 146 HB VAL 23 HB VAL 23 0.244 -4.477 -3.398 147 HG11 VAL 23 1HG1 VAL 23 -0.762 -6.626 -2.412 148 HG12 VAL 23 2HG1 VAL 23 0.133 -6.747 -3.927 149 HG13 VAL 23 3HG1 VAL 23 0.893 -7.233 -2.411 150 HG21 VAL 23 3HG2 VAL 23 1.244 -4.064 -0.887 151 HG22 VAL 23 1HG2 VAL 23 -0.457 -3.949 -1.337 152 HG23 VAL 23 2HG2 VAL 23 0.171 -5.441 -0.637 153 H ALA 24 H ALA 24 1.852 -5.381 -5.404 154 HA ALA 24 HA ALA 24 2.206 -8.149 -5.659 155 HB1 ALA 24 1HB ALA 24 2.635 -7.492 -8.137 156 HB2 ALA 24 2HB ALA 24 1.051 -7.200 -7.418 157 HB3 ALA 24 3HB ALA 24 2.197 -5.873 -7.592 158 H GLU 25 H GLU 25 4.462 -5.470 -6.262 159 HA GLU 25 HA GLU 25 6.615 -7.067 -7.131 160 HB3 GLU 25 2HB GLU 25 8.011 -5.087 -6.661 161 HG3 GLU 25 2HG GLU 25 6.083 -3.416 -7.730 162 H ARG 26 H ARG 26 5.381 -6.323 -3.985 163 HA ARG 26 HA ARG 26 7.768 -7.050 -2.559 164 HB3 ARG 26 2HB ARG 26 5.991 -7.140 -0.619 165 HG3 ARG 26 2HG ARG 26 5.831 -4.477 -0.908 166 HD3 ARG 26 2HD ARG 26 7.135 -6.022 0.739 167 HE ARG 26 HE ARG 26 9.123 -6.677 -0.188 168 HH11 ARG 26 1HH1 ARG 26 8.593 -3.307 -0.883 169 HH12 ARG 26 2HH1 ARG 26 10.173 -3.062 -1.551 170 HH21 ARG 26 1HH2 ARG 26 11.205 -6.367 -1.065 171 HH22 ARG 26 2HH2 ARG 26 11.657 -4.804 -1.656 172 H ALA 27 H ALA 27 4.925 -8.676 -3.729 173 HA ALA 27 HA ALA 27 5.440 -11.065 -2.158 174 HB1 ALA 27 1HB ALA 27 3.466 -11.960 -3.454 175 HB2 ALA 27 2HB ALA 27 3.145 -10.563 -2.424 176 HB3 ALA 27 3HB ALA 27 3.318 -10.353 -4.167 177 H GLU 28 H GLU 28 7.031 -9.840 -4.613 178 HA GLU 28 HA GLU 28 8.415 -10.674 -6.214 179 HB3 GLU 28 2HB GLU 28 7.739 -13.462 -5.318 180 HG3 GLU 28 2HG GLU 28 9.442 -12.837 -7.187 181 H LEU 29 H LEU 29 5.873 -10.049 -7.023 182 HA LEU 29 HA LEU 29 5.553 -11.856 -9.281 183 HB3 LEU 29 2HB LEU 29 3.934 -12.880 -8.010 184 HG LEU 29 HG LEU 29 3.968 -10.751 -6.285 185 HD11 LEU 29 1HD1 LEU 29 2.399 -9.482 -7.621 186 HD12 LEU 29 2HD1 LEU 29 1.635 -9.997 -6.117 187 HD13 LEU 29 3HD1 LEU 29 1.269 -10.836 -7.624 188 HD21 LEU 29 3HD2 LEU 29 2.203 -13.168 -6.514 189 HD22 LEU 29 1HD2 LEU 29 2.094 -12.067 -5.141 190 HD23 LEU 29 2HD2 LEU 29 3.606 -12.914 -5.473 191 HA PRO 30 HA PRO 30 4.758 -8.182 -11.545 192 HB3 PRO 30 2HB PRO 30 4.647 -9.486 -13.434 193 HG3 PRO 30 2HG PRO 30 3.650 -11.586 -13.386 194 HD3 PRO 30 2HD PRO 30 5.055 -11.772 -11.567 195 H VAL 31 H VAL 31 3.445 -6.415 -11.544 196 HA VAL 31 HA VAL 31 1.246 -6.350 -9.750 197 HB VAL 31 HB VAL 31 2.680 -4.392 -10.134 198 HG11 VAL 31 1HG1 VAL 31 2.790 -4.881 -12.663 199 HG12 VAL 31 2HG1 VAL 31 1.299 -3.941 -12.754 200 HG13 VAL 31 3HG1 VAL 31 2.773 -3.200 -12.129 201 HG21 VAL 31 3HG2 VAL 31 1.017 -2.860 -9.775 202 HG22 VAL 31 1HG2 VAL 31 -0.006 -3.506 -11.059 203 HG23 VAL 31 2HG2 VAL 31 0.116 -4.354 -9.517 204 H GLU 32 H GLU 32 1.483 -7.311 -12.969 205 HA GLU 32 HA GLU 32 -1.159 -6.489 -13.787 206 HB3 GLU 32 2HB GLU 32 0.829 -6.798 -15.337 207 HG3 GLU 32 2HG GLU 32 0.816 -9.404 -14.307 208 H VAL 33 H VAL 33 0.241 -9.144 -12.127 209 HA VAL 33 HA VAL 33 -2.122 -10.823 -12.589 210 HB VAL 33 HB VAL 33 0.325 -11.686 -12.755 211 HG11 VAL 33 1HG1 VAL 33 0.109 -12.370 -9.893 212 HG12 VAL 33 2HG1 VAL 33 1.535 -12.043 -10.880 213 HG13 VAL 33 3HG1 VAL 33 0.562 -10.707 -10.264 214 HG21 VAL 33 3HG2 VAL 33 -1.116 -13.544 -11.014 215 HG22 VAL 33 1HG2 VAL 33 -2.090 -12.892 -12.332 216 HG23 VAL 33 2HG2 VAL 33 -0.581 -13.736 -12.684 217 H LEU 34 H LEU 34 -1.113 -8.502 -10.484 218 HA LEU 34 HA LEU 34 -1.807 -9.628 -7.973 219 HB3 LEU 34 2HB LEU 34 -2.057 -6.707 -8.540 220 HG LEU 34 HG LEU 34 -0.700 -6.499 -6.442 221 HD11 LEU 34 1HD1 LEU 34 -2.591 -6.367 -5.235 222 HD12 LEU 34 2HD1 LEU 34 -3.076 -8.019 -5.613 223 HD13 LEU 34 3HD1 LEU 34 -3.368 -6.726 -6.777 224 HD21 LEU 34 3HD2 LEU 34 0.110 -8.269 -5.356 225 HD22 LEU 34 1HD2 LEU 34 -0.256 -9.199 -6.808 226 HD23 LEU 34 2HD2 LEU 34 -1.417 -9.144 -5.481 227 H ARG 35 H ARG 35 -3.758 -10.210 -7.314 228 HA ARG 35 HA ARG 35 -6.119 -9.152 -8.651 229 HB3 ARG 35 2HB ARG 35 -7.306 -10.969 -7.745 230 HG3 ARG 35 2HG ARG 35 -4.680 -12.354 -7.796 231 HD3 ARG 35 2HD ARG 35 -6.978 -13.457 -7.708 232 HE ARG 35 HE ARG 35 -8.370 -12.724 -9.365 233 HH11 ARG 35 1HH1 ARG 35 -5.198 -13.248 -10.701 234 HH12 ARG 35 2HH1 ARG 35 -5.702 -12.984 -12.338 235 HH21 ARG 35 1HH2 ARG 35 -9.045 -12.375 -11.516 236 HH22 ARG 35 2HH2 ARG 35 -7.890 -12.486 -12.800 237 H ASP 36 H ASP 36 -7.966 -8.399 -7.429 238 HA ASP 36 HA ASP 36 -7.200 -6.541 -5.387 239 HB3 ASP 36 2HB ASP 36 -9.430 -5.720 -5.510 240 H ASP 37 H ASP 37 -8.184 -9.778 -5.387 241 HA ASP 37 HA ASP 37 -9.236 -9.649 -2.659 242 HB3 ASP 37 2HB ASP 37 -9.860 -12.004 -3.000 243 H SER 38 H SER 38 -6.316 -10.019 -4.194 244 HA SER 38 HA SER 38 -5.091 -12.103 -2.759 245 HB3 SER 38 2HB SER 38 -3.141 -11.459 -3.790 246 HG SER 38 HG SER 38 -4.211 -9.711 -5.499 247 H ARG 39 H ARG 39 -5.081 -12.192 -0.606 248 HA ARG 39 HA ARG 39 -5.072 -9.867 1.055 249 HB3 ARG 39 2HB ARG 39 -5.211 -11.345 2.883 250 HG3 ARG 39 2HG ARG 39 -6.351 -13.306 1.004 251 HD3 ARG 39 2HD ARG 39 -6.709 -12.911 3.585 252 HE ARG 39 HE ARG 39 -7.804 -10.579 2.823 253 HH11 ARG 39 1HH1 ARG 39 -9.180 -13.504 4.116 254 HH12 ARG 39 2HH1 ARG 39 -10.490 -12.693 4.908 255 HH21 ARG 39 1HH2 ARG 39 -9.524 -9.499 3.863 256 HH22 ARG 39 2HH2 ARG 39 -10.685 -10.415 4.763 257 H PHE 40 H PHE 40 -3.447 -9.494 2.763 258 HA PHE 40 HA PHE 40 -0.793 -9.526 1.608 259 HB3 PHE 40 2HB PHE 40 -0.180 -8.031 3.401 260 HD1 PHE 40 1HD PHE 40 -0.644 -7.161 0.907 261 HD2 PHE 40 2HD PHE 40 -3.340 -6.855 4.187 262 HE1 PHE 40 1HE PHE 40 -1.773 -5.278 -0.202 263 HE2 PHE 40 2HE PHE 40 -4.474 -4.971 3.083 264 HZ PHE 40 HZ PHE 40 -3.692 -4.181 0.886 265 H LEU 41 H LEU 41 -2.106 -12.018 2.623 266 HA LEU 41 HA LEU 41 0.201 -13.062 3.997 267 HB3 LEU 41 2HB LEU 41 -1.547 -14.092 5.722 268 HG LEU 41 HG LEU 41 -0.377 -11.338 6.113 269 HD11 LEU 41 1HD1 LEU 41 -0.497 -12.208 8.564 270 HD12 LEU 41 2HD1 LEU 41 -1.780 -13.242 7.934 271 HD13 LEU 41 3HD1 LEU 41 -1.922 -11.488 7.814 272 HD21 LEU 41 3HD2 LEU 41 1.587 -12.293 6.630 273 HD22 LEU 41 1HD2 LEU 41 0.988 -13.639 5.661 274 HD23 LEU 41 2HD2 LEU 41 0.825 -13.676 7.418 275 H ASP 42 H ASP 42 -3.091 -13.586 2.838 276 HA ASP 42 HA ASP 42 -3.018 -16.395 2.740 277 HB3 ASP 42 2HB ASP 42 -4.869 -16.152 1.071 278 H ASP 43 H ASP 43 -2.565 -14.049 0.090 279 HA ASP 43 HA ASP 43 -1.151 -16.143 -1.413 280 HB3 ASP 43 2HB ASP 43 -1.561 -13.953 -3.108 281 H LEU 44 H LEU 44 -0.999 -12.616 -0.896 282 HA LEU 44 HA LEU 44 1.594 -12.255 -1.864 283 HB3 LEU 44 2HB LEU 44 1.565 -10.126 -0.793 284 HG LEU 44 HG LEU 44 -1.258 -10.838 -1.577 285 HD11 LEU 44 1HD1 LEU 44 -1.523 -8.353 -1.804 286 HD12 LEU 44 2HD1 LEU 44 -0.030 -8.180 -0.882 287 HD13 LEU 44 3HD1 LEU 44 -1.435 -8.952 -0.146 288 HD21 LEU 44 3HD2 LEU 44 0.878 -10.775 -3.175 289 HD22 LEU 44 1HD2 LEU 44 0.487 -9.054 -3.170 290 HD23 LEU 44 2HD2 LEU 44 -0.719 -10.231 -3.695 291 H HIS 45 H HIS 45 0.451 -13.447 1.188 292 HA HIS 45 HA HIS 45 1.506 -14.128 3.094 293 HB3 HIS 45 2HB HIS 45 3.870 -14.735 1.328 294 HD1 HIS 45 1HD HIS 45 3.871 -17.725 2.054 295 HD2 HIS 45 2HD HIS 45 3.430 -14.650 4.814 296 HE1 HIS 45 1HE HIS 45 4.592 -18.693 4.262 297 H MET 46 H MET 46 1.596 -11.825 3.739 298 HA MET 46 HA MET 46 4.392 -10.995 4.105 299 HB3 MET 46 2HB MET 46 4.009 -8.819 3.471 300 HG3 MET 46 2HG MET 46 2.265 -10.579 1.844 301 HE1 MET 46 3HE MET 46 3.489 -7.160 0.207 302 HE2 MET 46 1HE MET 46 3.094 -8.662 -0.629 303 HE3 MET 46 2HE MET 46 2.050 -7.252 -0.809 304 H SER 47 H SER 47 4.822 -11.139 6.201 305 HA SER 47 HA SER 47 2.930 -11.341 8.244 306 HB3 SER 47 2HB SER 47 4.797 -11.083 9.790 307 HG SER 47 HG SER 47 6.315 -12.551 8.657 308 H SER 48 H SER 48 2.587 -9.864 10.062 309 HA SER 48 HA SER 48 1.503 -7.451 9.352 310 HB3 SER 48 2HB SER 48 0.870 -8.138 11.471 311 HG SER 48 HG SER 48 2.368 -9.638 12.004 312 H ILE 49 H ILE 49 4.815 -8.111 10.371 313 HA ILE 49 HA ILE 49 5.607 -5.362 10.403 314 HB ILE 49 HB ILE 49 7.308 -7.857 10.291 315 HG13 ILE 49 2HG1 ILE 49 7.620 -7.398 12.727 316 HG21 ILE 49 1HG2 ILE 49 8.075 -5.030 11.008 317 HG22 ILE 49 2HG2 ILE 49 9.134 -6.440 11.036 318 HG23 ILE 49 3HG2 ILE 49 8.488 -5.854 9.504 319 HD11 ILE 49 3HD1 ILE 49 6.402 -4.972 12.217 320 HD12 ILE 49 1HD1 ILE 49 5.165 -5.910 13.053 321 HD13 ILE 49 2HD1 ILE 49 6.745 -5.669 13.799 322 H THR 50 H THR 50 5.789 -8.000 8.075 323 HA THR 50 HA THR 50 7.460 -6.719 6.198 324 HB THR 50 HB THR 50 5.356 -8.837 5.706 325 HG1 THR 50 1HG THR 50 6.825 -10.229 6.376 326 HG21 THR 50 3HG2 THR 50 6.266 -7.498 3.714 327 HG22 THR 50 1HG2 THR 50 6.359 -9.256 3.628 328 HG23 THR 50 2HG2 THR 50 7.795 -8.315 4.032 329 H VAL 51 H VAL 51 3.961 -6.747 6.643 330 HA VAL 51 HA VAL 51 3.263 -5.451 4.243 331 HB VAL 51 HB VAL 51 1.742 -5.161 6.825 332 HG11 VAL 51 1HG1 VAL 51 1.079 -4.996 3.911 333 HG12 VAL 51 2HG1 VAL 51 -0.169 -5.393 5.093 334 HG13 VAL 51 3HG1 VAL 51 0.702 -3.863 5.208 335 HG21 VAL 51 3HG2 VAL 51 0.851 -7.360 5.188 336 HG22 VAL 51 1HG2 VAL 51 2.525 -7.588 5.692 337 HG23 VAL 51 2HG2 VAL 51 1.266 -7.334 6.901 338 H GLY 52 H GLY 52 3.852 -4.164 7.509 339 HA2 GLY 52 2HA GLY 52 3.328 -1.473 6.945 340 HA3 GLY 52 3HA GLY 52 4.380 -2.051 8.228 341 H GLN 53 H GLN 53 6.133 -3.422 6.254 342 HA GLN 53 HA GLN 53 8.008 -1.354 5.895 343 HB3 GLN 53 2HB GLN 53 9.319 -2.989 4.655 344 HG3 GLN 53 2HG GLN 53 8.548 -5.060 6.335 345 HE21 GLN 53 1HE2 GLN 53 10.775 -4.525 5.018 346 HE22 GLN 53 2HE2 GLN 53 12.061 -4.088 6.086 347 H LEU 54 H LEU 54 5.878 -3.008 3.581 348 HA LEU 54 HA LEU 54 6.699 -1.281 1.418 349 HB3 LEU 54 2HB LEU 54 5.901 -3.762 1.343 350 HG LEU 54 HG LEU 54 3.530 -2.985 2.231 351 HD11 LEU 54 1HD1 LEU 54 3.507 -1.482 0.042 352 HD12 LEU 54 2HD1 LEU 54 2.042 -2.207 0.703 353 HD13 LEU 54 3HD1 LEU 54 2.866 -2.969 -0.657 354 HD21 LEU 54 3HD2 LEU 54 2.676 -4.867 0.499 355 HD22 LEU 54 1HD2 LEU 54 3.593 -5.222 1.964 356 HD23 LEU 54 2HD2 LEU 54 4.420 -5.123 0.408 357 H VAL 55 H VAL 55 4.041 -1.513 3.680 358 HA VAL 55 HA VAL 55 2.187 0.158 2.429 359 HB VAL 55 HB VAL 55 2.171 -1.230 4.741 360 HG11 VAL 55 1HG1 VAL 55 2.190 0.117 6.648 361 HG12 VAL 55 2HG1 VAL 55 3.587 0.673 5.724 362 HG13 VAL 55 3HG1 VAL 55 2.091 1.607 5.710 363 HG21 VAL 55 3HG2 VAL 55 -0.014 -0.191 5.182 364 HG22 VAL 55 1HG2 VAL 55 0.383 1.097 4.043 365 HG23 VAL 55 2HG2 VAL 55 0.210 -0.564 3.472 366 H ASN 56 H ASN 56 5.109 0.893 4.171 367 HA ASN 56 HA ASN 56 4.557 3.635 4.669 368 HB3 ASN 56 2HB ASN 56 7.359 3.264 4.433 369 HD21 ASN 56 1HD2 ASN 56 6.620 1.820 7.269 370 HD22 ASN 56 2HD2 ASN 56 6.439 3.213 8.273 371 H GLU 57 H GLU 57 6.179 1.900 2.053 372 HA GLU 57 HA GLU 57 7.164 4.130 0.665 373 HB3 GLU 57 2HB GLU 57 6.230 1.577 -0.638 374 HG3 GLU 57 2HG GLU 57 7.198 3.537 -1.988 375 H ALA 58 H ALA 58 4.025 2.552 0.634 376 HA ALA 58 HA ALA 58 2.968 3.850 -1.636 377 HB1 ALA 58 1HB ALA 58 1.865 2.316 0.642 378 HB2 ALA 58 2HB ALA 58 0.747 3.350 -0.248 379 HB3 ALA 58 3HB ALA 58 1.646 2.088 -1.093 380 H ALA 59 H ALA 59 2.625 4.583 1.834 381 HA ALA 59 HA ALA 59 1.040 6.847 1.624 382 HB1 ALA 59 1HB ALA 59 2.664 5.603 3.652 383 HB2 ALA 59 2HB ALA 59 2.770 7.361 3.752 384 HB3 ALA 59 3HB ALA 59 1.197 6.566 3.822 385 H ARG 60 H ARG 60 4.539 6.519 1.318 386 HA ARG 60 HA ARG 60 5.219 9.233 1.320 387 HB3 ARG 60 2HB ARG 60 6.528 6.925 -0.128 388 HG3 ARG 60 2HG ARG 60 8.540 8.627 0.525 389 HD3 ARG 60 2HD ARG 60 7.811 9.361 -2.070 390 HE ARG 60 HE ARG 60 9.910 8.038 -0.973 391 HH11 ARG 60 1HH1 ARG 60 7.878 7.477 -3.744 392 HH12 ARG 60 2HH1 ARG 60 9.116 6.676 -4.653 393 HH21 ARG 60 1HH2 ARG 60 11.549 6.985 -2.161 394 HH22 ARG 60 2HH2 ARG 60 11.204 6.397 -3.751 395 H ALA 61 H ALA 61 4.294 7.091 -1.348 396 HA ALA 61 HA ALA 61 4.630 9.036 -3.390 397 HB1 ALA 61 1HB ALA 61 3.144 7.430 -4.704 398 HB2 ALA 61 2HB ALA 61 4.679 6.804 -4.101 399 HB3 ALA 61 3HB ALA 61 3.177 6.412 -3.264 400 H MET 62 H MET 62 1.848 7.960 -1.484 401 HA MET 62 HA MET 62 -0.042 9.589 -2.863 402 HB3 MET 62 2HB MET 62 -1.576 8.995 -1.062 403 HG3 MET 62 2HG MET 62 -1.557 6.607 -1.179 404 HE1 MET 62 3HE MET 62 -3.292 8.210 -2.667 405 HE2 MET 62 1HE MET 62 -3.491 7.534 -4.284 406 HE3 MET 62 2HE MET 62 -3.460 6.467 -2.880 407 H GLY 63 H GLY 63 2.433 10.349 -0.758 408 HA2 GLY 63 2HA GLY 63 3.034 12.362 0.185 409 HA3 GLY 63 3HA GLY 63 1.603 13.071 -0.548 410 H LEU 64 H LEU 64 1.996 10.480 1.860 411 HA LEU 64 HA LEU 64 0.148 11.963 3.604 412 HB3 LEU 64 2HB LEU 64 -0.565 9.933 4.509 413 HG LEU 64 HG LEU 64 0.039 9.042 1.696 414 HD11 LEU 64 1HD1 LEU 64 -2.365 8.404 3.371 415 HD12 LEU 64 2HD1 LEU 64 -0.890 7.443 3.462 416 HD13 LEU 64 3HD1 LEU 64 -1.762 7.575 1.935 417 HD21 LEU 64 3HD2 LEU 64 -2.565 10.063 1.853 418 HD22 LEU 64 1HD2 LEU 64 -1.202 10.724 0.950 419 HD23 LEU 64 2HD2 LEU 64 -1.523 11.277 2.595 420 H SER 65 H SER 65 0.660 10.597 5.975 421 HA SER 65 HA SER 65 3.464 10.749 6.607 422 HB3 SER 65 2HB SER 65 1.543 12.866 7.580 423 HG SER 65 HG SER 65 3.897 13.237 8.663 424 H ALA 66 H ALA 66 0.577 11.355 8.587 425 HA ALA 66 HA ALA 66 1.357 9.311 10.455 426 HB1 ALA 66 1HB ALA 66 0.208 10.613 11.830 427 HB2 ALA 66 2HB ALA 66 -0.363 11.582 10.471 428 HB3 ALA 66 3HB ALA 66 -1.280 10.170 10.994 429 H VAL 67 H VAL 67 -0.429 9.364 7.589 430 HA VAL 67 HA VAL 67 -2.458 7.498 8.089 431 HB VAL 67 HB VAL 67 -0.942 7.974 5.517 432 HG11 VAL 67 1HG1 VAL 67 -3.342 6.342 6.191 433 HG12 VAL 67 2HG1 VAL 67 -3.276 7.160 4.629 434 HG13 VAL 67 3HG1 VAL 67 -2.024 6.000 5.071 435 HG21 VAL 67 3HG2 VAL 67 -1.904 10.026 6.091 436 HG22 VAL 67 1HG2 VAL 67 -3.087 9.290 5.008 437 HG23 VAL 67 2HG2 VAL 67 -3.353 9.266 6.751 438 H ALA 68 H ALA 68 0.924 7.102 7.944 439 HA ALA 68 HA ALA 68 1.434 4.655 6.903 440 HB1 ALA 68 1HB ALA 68 2.568 5.130 9.603 441 HB2 ALA 68 2HB ALA 68 3.366 4.650 8.106 442 HB3 ALA 68 3HB ALA 68 2.894 6.331 8.354 443 H MET 69 H MET 69 0.153 2.918 7.024 444 HA MET 69 HA MET 69 -0.940 1.114 7.874 445 HB3 MET 69 2HB MET 69 -0.179 0.163 9.861 446 HG3 MET 69 2HG MET 69 2.166 1.932 9.750 447 HE1 MET 69 3HE MET 69 0.781 -1.179 8.340 448 HE2 MET 69 1HE MET 69 2.043 -2.387 8.580 449 HE3 MET 69 2HE MET 69 0.799 -2.155 9.809 450 HA PRO 70 HA PRO 70 -4.256 3.906 9.443 451 HB3 PRO 70 2HB PRO 70 -5.020 4.234 7.300 452 HG3 PRO 70 2HG PRO 70 -4.576 2.691 5.619 453 HD3 PRO 70 2HD PRO 70 -2.452 2.975 6.468 454 H THR 71 H THR 71 -4.043 0.459 8.908 455 HA THR 71 HA THR 71 -5.184 -0.189 11.399 456 HB THR 71 HB THR 71 -7.285 0.480 10.251 457 HG1 THR 71 1HG THR 71 -8.213 -1.041 11.391 458 HG21 THR 71 3HG2 THR 71 -6.217 -0.777 8.057 459 HG22 THR 71 1HG2 THR 71 -7.902 -0.287 8.233 460 HG23 THR 71 2HG2 THR 71 -7.420 -1.940 8.615 461 H ASN 72 H ASN 72 -5.739 -2.636 11.470 462 HA ASN 72 HA ASN 72 -3.502 -4.108 10.867 463 HB3 ASN 72 2HB ASN 72 -6.116 -5.538 10.804 464 HD21 ASN 72 1HD2 ASN 72 -5.374 -7.529 10.617 465 HD22 ASN 72 2HD2 ASN 72 -4.108 -8.229 11.563 466 H PHE 73 H PHE 73 -2.825 -5.416 9.212 467 HA PHE 73 HA PHE 73 -4.411 -5.302 6.730 468 HB3 PHE 73 2HB PHE 73 -2.082 -5.523 5.614 469 HD1 PHE 73 2HD PHE 73 -4.135 -3.995 4.771 470 HD2 PHE 73 1HD PHE 73 -1.017 -2.761 7.393 471 HE1 PHE 73 2HE PHE 73 -4.532 -1.652 4.135 472 HE2 PHE 73 1HE PHE 73 -1.410 -0.416 6.761 473 HZ PHE 73 HZ PHE 73 -3.168 0.141 5.129 474 H ALA 74 H ALA 74 -2.754 -7.243 9.009 475 HA ALA 74 HA ALA 74 -2.051 -9.494 7.553 476 HB1 ALA 74 1HB ALA 74 -3.221 -9.536 10.328 477 HB2 ALA 74 2HB ALA 74 -2.116 -10.708 9.608 478 HB3 ALA 74 3HB ALA 74 -1.558 -9.074 9.965 479 H THR 75 H THR 75 -5.167 -8.245 8.228 480 HA THR 75 HA THR 75 -6.390 -10.724 7.201 481 HB THR 75 HB THR 75 -7.028 -10.429 9.530 482 HG1 THR 75 1HG THR 75 -8.618 -11.014 7.764 483 HG21 THR 75 3HG2 THR 75 -6.846 -7.757 9.088 484 HG22 THR 75 1HG2 THR 75 -7.657 -8.478 10.476 485 HG23 THR 75 2HG2 THR 75 -8.594 -7.980 9.068 486 H ALA 76 H ALA 76 -5.499 -7.880 6.167 487 HA ALA 76 HA ALA 76 -8.022 -7.193 4.824 488 HB1 ALA 76 1HB ALA 76 -7.201 -5.019 4.498 489 HB2 ALA 76 2HB ALA 76 -6.709 -5.447 6.137 490 HB3 ALA 76 3HB ALA 76 -5.537 -5.508 4.820 491 H THR 77 H THR 77 -7.518 -6.156 2.551 492 HA THR 77 HA THR 77 -5.696 -7.970 1.111 493 HB THR 77 HB THR 77 -7.336 -7.790 -0.820 494 HG1 THR 77 1HG THR 77 -9.287 -6.935 -0.455 495 HG21 THR 77 3HG2 THR 77 -7.188 -9.573 1.275 496 HG22 THR 77 1HG2 THR 77 -8.100 -9.810 -0.216 497 HG23 THR 77 2HG2 THR 77 -8.903 -9.168 1.217 498 H VAL 78 H VAL 78 -5.233 -7.123 -1.163 499 HA VAL 78 HA VAL 78 -3.866 -4.720 -1.029 500 HB VAL 78 HB VAL 78 -3.508 -4.868 -3.355 501 HG11 VAL 78 1HG1 VAL 78 -3.957 -7.747 -3.092 502 HG12 VAL 78 2HG1 VAL 78 -2.460 -6.850 -3.355 503 HG13 VAL 78 3HG1 VAL 78 -3.110 -7.024 -1.725 504 HG21 VAL 78 3HG2 VAL 78 -5.756 -4.882 -4.170 505 HG22 VAL 78 1HG2 VAL 78 -4.937 -6.301 -4.823 506 HG23 VAL 78 2HG2 VAL 78 -6.057 -6.473 -3.472 507 H ARG 79 H ARG 79 -7.178 -5.352 -2.044 508 HA ARG 79 HA ARG 79 -7.707 -2.778 -3.096 509 HB3 ARG 79 2HB ARG 79 -9.553 -4.899 -1.993 510 HG3 ARG 79 2HG ARG 79 -11.101 -3.564 -3.722 511 HD3 ARG 79 2HD ARG 79 -10.735 -3.015 -0.782 512 HE ARG 79 HE ARG 79 -12.352 -1.530 -2.415 513 HH11 ARG 79 1HH1 ARG 79 -12.850 -3.742 0.227 514 HH12 ARG 79 2HH1 ARG 79 -14.302 -2.970 0.771 515 HH21 ARG 79 1HH2 ARG 79 -14.264 -0.505 -1.709 516 HH22 ARG 79 2HH2 ARG 79 -15.105 -1.128 -0.331 517 H GLU 80 H GLU 80 -8.027 -4.187 0.121 518 HA GLU 80 HA GLU 80 -9.440 -2.050 1.304 519 HB3 GLU 80 2HB GLU 80 -8.466 -3.004 3.461 520 HG3 GLU 80 2HG GLU 80 -9.928 -4.812 1.558 521 H MET 81 H MET 81 -5.967 -2.815 1.220 522 HA MET 81 HA MET 81 -5.140 -0.548 2.686 523 HB3 MET 81 2HB MET 81 -3.619 -2.216 0.674 524 HG3 MET 81 2HG MET 81 -2.337 -0.724 2.913 525 HE1 MET 81 3HE MET 81 -0.874 -2.432 3.367 526 HE2 MET 81 1HE MET 81 -1.087 -3.719 2.179 527 HE3 MET 81 2HE MET 81 0.494 -2.968 2.391 528 H ALA 82 H ALA 82 -5.561 -1.141 -0.769 529 HA ALA 82 HA ALA 82 -4.460 1.331 -1.633 530 HB1 ALA 82 1HB ALA 82 -5.207 0.759 -3.786 531 HB2 ALA 82 2HB ALA 82 -4.809 -0.776 -3.013 532 HB3 ALA 82 3HB ALA 82 -6.493 -0.272 -3.156 533 H GLU 83 H GLU 83 -7.814 0.218 -1.193 534 HA GLU 83 HA GLU 83 -9.073 2.598 -1.949 535 HB3 GLU 83 2HB GLU 83 -10.911 1.684 -0.316 536 HG3 GLU 83 2HG GLU 83 -10.738 -0.469 -2.138 537 H ALA 84 H ALA 84 -7.747 1.556 1.137 538 HA ALA 84 HA ALA 84 -8.821 3.644 2.712 539 HB1 ALA 84 1HB ALA 84 -8.030 2.215 4.225 540 HB2 ALA 84 2HB ALA 84 -6.934 1.472 3.060 541 HB3 ALA 84 3HB ALA 84 -6.442 2.924 3.930 542 H LEU 85 H LEU 85 -5.735 3.284 1.002 543 HA LEU 85 HA LEU 85 -4.691 5.791 1.867 544 HB3 LEU 85 2HB LEU 85 -3.094 5.404 -0.087 545 HG LEU 85 HG LEU 85 -3.296 3.251 2.014 546 HD11 LEU 85 1HD1 LEU 85 -1.982 2.204 0.446 547 HD12 LEU 85 2HD1 LEU 85 -0.771 3.085 1.377 548 HD13 LEU 85 3HD1 LEU 85 -1.323 3.718 -0.174 549 HD21 LEU 85 3HD2 LEU 85 -2.710 5.904 2.304 550 HD22 LEU 85 1HD2 LEU 85 -1.111 5.191 2.088 551 HD23 LEU 85 2HD2 LEU 85 -2.164 4.616 3.380 552 H GLU 86 H GLU 86 -6.339 4.679 -1.062 553 HA GLU 86 HA GLU 86 -6.092 7.040 -2.554 554 HB3 GLU 86 2HB GLU 86 -7.070 4.600 -3.093 555 HG3 GLU 86 2HG GLU 86 -9.207 5.315 -1.801 556 H ALA 87 H ALA 87 -8.294 6.119 -0.007 557 HA ALA 87 HA ALA 87 -10.264 8.092 -0.416 558 HB1 ALA 87 1HB ALA 87 -10.653 7.716 2.109 559 HB2 ALA 87 2HB ALA 87 -10.916 6.371 0.998 560 HB3 ALA 87 3HB ALA 87 -9.432 6.454 1.946 561 H ARG 88 H ARG 88 -7.205 8.113 1.325 562 HA ARG 88 HA ARG 88 -7.530 10.517 2.726 563 HB3 ARG 88 2HB ARG 88 -5.238 10.425 3.165 564 HG3 ARG 88 2HG ARG 88 -4.631 8.175 3.593 565 HD3 ARG 88 2HD ARG 88 -6.483 7.378 4.777 566 HE ARG 88 HE ARG 88 -6.055 10.029 4.973 567 HH11 ARG 88 1HH1 ARG 88 -8.948 8.095 5.053 568 HH12 ARG 88 2HH1 ARG 88 -9.800 9.179 6.103 569 HH21 ARG 88 1HH2 ARG 88 -7.164 11.463 6.356 570 HH22 ARG 88 2HH2 ARG 88 -8.785 11.094 6.843 571 H GLU 89 H GLU 89 -5.737 9.990 -0.318 572 HA GLU 89 HA GLU 89 -5.375 12.726 -0.872 573 HB3 GLU 89 2HB GLU 89 -4.858 11.947 -3.192 574 HG3 GLU 89 2HG GLU 89 -3.490 9.953 -1.495 575 H ARG 90 H ARG 90 -7.958 10.483 -1.617 576 HA ARG 90 HA ARG 90 -9.275 11.981 -3.593 577 HB3 ARG 90 2HB ARG 90 -10.370 10.018 -1.573 578 HG3 ARG 90 2HG ARG 90 -11.928 9.898 -3.863 579 HD3 ARG 90 2HD ARG 90 -12.338 9.877 -1.211 580 HE ARG 90 HE ARG 90 -12.890 12.606 -1.951 581 HH11 ARG 90 1HH1 ARG 90 -13.689 9.984 0.195 582 HH12 ARG 90 2HH1 ARG 90 -14.313 11.019 1.437 583 HH21 ARG 90 1HH2 ARG 90 -13.709 13.978 -0.323 584 HH22 ARG 90 2HH2 ARG 90 -14.325 13.290 1.141 585 H GLU 91 H GLU 91 -9.076 12.367 -0.169 586 HA GLU 91 HA GLU 91 -11.307 14.268 -0.161 587 HB3 GLU 91 2HB GLU 91 -9.749 12.969 2.072 588 HG3 GLU 91 2HG GLU 91 -11.771 15.168 2.183 589 H ALA 92 H ALA 92 -7.842 14.043 0.254 590 HA ALA 92 HA ALA 92 -7.237 16.473 1.411 591 HB1 ALA 92 1HB ALA 92 -5.336 15.278 1.165 592 HB2 ALA 92 2HB ALA 92 -5.824 14.615 -0.395 593 HB3 ALA 92 3HB ALA 92 -5.181 16.254 -0.296 594 HA PRO 93 HA PRO 93 -8.202 19.679 -1.423 595 HB3 PRO 93 2HB PRO 93 -7.308 21.158 0.091 596 HG3 PRO 93 2HG PRO 93 -5.401 20.621 1.310 597 HD3 PRO 93 2HD PRO 93 -6.661 18.729 1.690 598 H HIS 94 H HIS 94 -5.506 17.685 -1.929 599 HA HIS 94 HA HIS 94 -4.326 17.096 -3.783 600 HB3 HIS 94 2HB HIS 94 -5.326 17.384 -5.933 601 HD1 HIS 94 1HD HIS 94 -8.612 18.251 -4.764 602 HD2 HIS 94 2HD HIS 94 -6.186 14.886 -4.552 603 HE1 HIS 94 1HE HIS 94 -10.156 16.343 -4.214 604 H LEU 95 H LEU 95 -2.371 18.019 -3.665 605 HA LEU 95 HA LEU 95 -2.088 20.858 -4.333 606 HB3 LEU 95 2HB LEU 95 0.323 19.441 -3.517 607 HG LEU 95 HG LEU 95 -0.057 21.966 -3.424 608 HD11 LEU 95 1HD1 LEU 95 -0.961 22.013 -0.735 609 HD12 LEU 95 2HD1 LEU 95 -2.139 21.120 -1.696 610 HD13 LEU 95 3HD1 LEU 95 -1.689 22.762 -2.156 611 HD21 LEU 95 3HD2 LEU 95 1.248 20.195 -1.470 612 HD22 LEU 95 1HD2 LEU 95 1.029 21.867 -0.953 613 HD23 LEU 95 2HD2 LEU 95 1.914 21.513 -2.437 614 H GLU 96 H GLU 96 0.300 21.189 -5.333 615 HA GLU 96 HA GLU 96 0.105 20.173 -7.985 616 HB3 GLU 96 2HB GLU 96 2.613 21.251 -7.856 617 HG3 GLU 96 2HG GLU 96 0.155 22.972 -7.982 618 H HIS 97 H HIS 97 1.117 18.510 -8.949 619 HA HIS 97 HA HIS 97 2.235 16.537 -9.162 620 HB3 HIS 97 2HB HIS 97 4.588 16.538 -8.343 621 HD1 HIS 97 1HD HIS 97 6.383 18.639 -9.227 622 HD2 HIS 97 2HD HIS 97 2.563 18.308 -10.829 623 HE1 HIS 97 1HE HIS 97 6.474 19.836 -11.437 624 H HIS 98 H HIS 98 0.703 15.332 -7.962 625 HA HIS 98 HA HIS 98 1.575 14.633 -5.236 626 HB3 HIS 98 2HB HIS 98 -0.633 15.686 -5.260 627 HD1 HIS 98 1HD HIS 98 -2.303 12.547 -6.106 628 HD2 HIS 98 2HD HIS 98 -1.507 16.162 -7.991 629 HE1 HIS 98 1HE HIS 98 -3.851 12.628 -8.085 630 H HIS 99 H HIS 99 0.609 13.446 -8.373 631 HA HIS 99 HA HIS 99 0.988 10.675 -7.485 632 HB3 HIS 99 2HB HIS 99 -1.093 11.280 -8.745 633 HD1 HIS 99 1HD HIS 99 -0.758 13.718 -9.876 634 HD2 HIS 99 2HD HIS 99 0.520 10.443 -12.090 635 HE1 HIS 99 1HE HIS 99 -0.540 14.547 -12.241 636 H HIS 100 H HIS 100 2.365 9.257 -8.643 637 HA HIS 100 HA HIS 100 4.685 10.611 -9.773 638 HB3 HIS 100 2HB HIS 100 5.465 8.056 -9.740 639 HD1 HIS 100 1HD HIS 100 4.737 10.855 -7.346 640 HD2 HIS 100 2HD HIS 100 7.499 7.795 -7.869 641 HE1 HIS 100 1HE HIS 100 6.580 11.325 -5.701 642 H HIS 101 H HIS 101 2.864 7.653 -10.597 643 HA HIS 101 HA HIS 101 3.407 8.229 -13.434 644 HB3 HIS 101 2HB HIS 101 2.500 5.526 -12.571 645 HD1 HIS 101 1HD HIS 101 5.485 7.028 -14.407 646 HD2 HIS 101 2HD HIS 101 2.392 4.312 -14.975 647 HE1 HIS 101 1HE HIS 101 5.837 6.080 -16.710 648 H HIS 102 H HIS 102 1.699 7.334 -14.942 649 HA HIS 102 HA HIS 102 -0.997 7.591 -13.799 650 HB3 HIS 102 2HB HIS 102 -0.462 9.745 -14.793 651 HD1 HIS 102 1HD HIS 102 -1.053 8.299 -18.158 652 HD2 HIS 102 2HD HIS 102 2.087 9.970 -16.012 653 HE1 HIS 102 1HE HIS 102 0.739 8.782 -19.855 Start of MODEL 7 1 H1 MET 1 H MET 1 -8.950 -7.451 -26.651 2 HA MET 1 HA MET 1 -6.737 -8.698 -25.711 3 HB3 MET 1 2HB MET 1 -5.788 -9.651 -27.933 4 HG3 MET 1 2HG MET 1 -7.273 -10.878 -25.846 5 HE1 MET 1 3HE MET 1 -6.235 -13.545 -27.246 6 HE2 MET 1 1HE MET 1 -7.745 -14.411 -26.958 7 HE3 MET 1 2HE MET 1 -7.191 -14.131 -28.609 8 H ALA 2 H ALA 2 -5.174 -7.217 -25.761 9 HA ALA 2 HA ALA 2 -4.639 -5.639 -28.109 10 HB1 ALA 2 1HB ALA 2 -5.474 -4.136 -25.642 11 HB2 ALA 2 2HB ALA 2 -5.144 -3.494 -27.251 12 HB3 ALA 2 3HB ALA 2 -6.576 -4.485 -26.974 13 H ARG 3 H ARG 3 -2.928 -3.871 -27.476 14 HA ARG 3 HA ARG 3 -0.975 -5.199 -25.720 15 HB3 ARG 3 2HB ARG 3 -0.043 -3.114 -27.595 16 HG3 ARG 3 2HG ARG 3 0.903 -5.850 -26.802 17 HD3 ARG 3 2HD ARG 3 1.229 -4.971 -29.316 18 HE ARG 3 HE ARG 3 3.115 -3.397 -27.812 19 HH11 ARG 3 1HH1 ARG 3 2.436 -4.949 -30.854 20 HH12 ARG 3 2HH1 ARG 3 3.499 -3.925 -31.761 21 HH21 ARG 3 1HH2 ARG 3 4.516 -2.042 -28.997 22 HH22 ARG 3 2HH2 ARG 3 4.682 -2.273 -30.704 23 H ALA 4 H ALA 4 -3.114 -3.259 -24.968 24 HA ALA 4 HA ALA 4 -1.633 -0.874 -24.216 25 HB1 ALA 4 1HB ALA 4 -4.493 -1.699 -24.130 26 HB2 ALA 4 2HB ALA 4 -3.944 -0.409 -23.060 27 HB3 ALA 4 3HB ALA 4 -3.757 -0.246 -24.806 28 H ASP 5 H ASP 5 -2.646 -3.880 -22.837 29 HA ASP 5 HA ASP 5 -2.200 -2.987 -20.106 30 HB3 ASP 5 2HB ASP 5 -4.010 -4.508 -20.329 31 H ASP 6 H ASP 6 0.088 -2.445 -20.972 32 HA ASP 6 HA ASP 6 1.968 -4.468 -21.454 33 HB3 ASP 6 2HB ASP 6 3.627 -2.812 -21.196 34 H THR 7 H THR 7 4.031 -4.192 -19.698 35 HA THR 7 HA THR 7 3.525 -6.056 -17.739 36 HB THR 7 HB THR 7 5.531 -4.375 -16.671 37 HG1 THR 7 1HG THR 7 6.530 -3.540 -18.354 38 HG21 THR 7 3HG2 THR 7 5.333 -6.934 -16.936 39 HG22 THR 7 1HG2 THR 7 6.932 -6.203 -17.059 40 HG23 THR 7 2HG2 THR 7 6.065 -6.679 -18.519 41 H ALA 8 H ALA 8 4.163 -2.638 -16.954 42 HA ALA 8 HA ALA 8 3.242 -2.679 -14.357 43 HB1 ALA 8 1HB ALA 8 4.166 -0.738 -16.130 44 HB2 ALA 8 2HB ALA 8 2.584 -0.163 -15.601 45 HB3 ALA 8 3HB ALA 8 3.830 -0.538 -14.411 46 H LEU 9 H LEU 9 1.281 -1.572 -13.478 47 HA LEU 9 HA LEU 9 -1.058 -2.843 -14.427 48 HB3 LEU 9 2HB LEU 9 -1.212 -0.459 -12.648 49 HG LEU 9 HG LEU 9 -3.264 -1.766 -12.959 50 HD11 LEU 9 1HD1 LEU 9 -1.434 -3.979 -12.471 51 HD12 LEU 9 2HD1 LEU 9 -3.006 -3.960 -13.267 52 HD13 LEU 9 3HD1 LEU 9 -2.909 -4.068 -11.509 53 HD21 LEU 9 3HD2 LEU 9 -1.918 -1.552 -10.318 54 HD22 LEU 9 1HD2 LEU 9 -3.441 -2.438 -10.410 55 HD23 LEU 9 2HD2 LEU 9 -3.370 -0.750 -10.919 56 HA PRO 10 HA PRO 10 -2.120 0.085 -17.600 57 HB3 PRO 10 2HB PRO 10 -2.945 -1.716 -18.764 58 HG3 PRO 10 2HG PRO 10 -3.833 -3.557 -17.654 59 HD3 PRO 10 2HD PRO 10 -1.833 -3.342 -16.529 60 H ALA 11 H ALA 11 -3.641 -0.406 -14.613 61 HA ALA 11 HA ALA 11 -5.925 1.258 -14.960 62 HB1 ALA 11 1HB ALA 11 -4.549 0.668 -12.350 63 HB2 ALA 11 2HB ALA 11 -6.247 1.060 -12.624 64 HB3 ALA 11 3HB ALA 11 -5.602 -0.488 -13.168 65 H ALA 12 H ALA 12 -5.976 3.392 -15.155 66 HA ALA 12 HA ALA 12 -3.612 4.974 -14.643 67 HB1 ALA 12 1HB ALA 12 -4.516 5.906 -16.474 68 HB2 ALA 12 2HB ALA 12 -6.138 5.325 -16.095 69 HB3 ALA 12 3HB ALA 12 -5.519 6.783 -15.320 70 H THR 13 H THR 13 -5.988 3.842 -12.699 71 HA THR 13 HA THR 13 -7.020 5.903 -11.225 72 HB THR 13 HB THR 13 -7.702 3.704 -10.658 73 HG1 THR 13 1HG THR 13 -7.599 5.126 -8.855 74 HG21 THR 13 3HG2 THR 13 -6.194 2.021 -9.716 75 HG22 THR 13 1HG2 THR 13 -4.837 3.133 -9.890 76 HG23 THR 13 2HG2 THR 13 -5.664 2.519 -11.322 77 H GLY 14 H GLY 14 -3.777 4.506 -10.987 78 HA2 GLY 14 2HA GLY 14 -1.839 5.603 -10.291 79 HA3 GLY 14 3HA GLY 14 -2.826 6.951 -9.745 80 H ALA 15 H ALA 15 -4.189 6.487 -7.774 81 HA ALA 15 HA ALA 15 -2.542 5.753 -5.635 82 HB1 ALA 15 1HB ALA 15 -4.191 6.562 -4.357 83 HB2 ALA 15 2HB ALA 15 -4.942 7.031 -5.882 84 HB3 ALA 15 3HB ALA 15 -5.407 5.521 -5.098 85 H LEU 16 H LEU 16 -5.354 4.010 -6.974 86 HA LEU 16 HA LEU 16 -5.112 1.726 -5.379 87 HB3 LEU 16 2HB LEU 16 -6.090 1.002 -7.960 88 HG LEU 16 HG LEU 16 -8.335 1.003 -6.868 89 HD11 LEU 16 1HD1 LEU 16 -7.498 -0.673 -5.005 90 HD12 LEU 16 2HD1 LEU 16 -5.970 -0.488 -5.866 91 HD13 LEU 16 3HD1 LEU 16 -7.399 -1.068 -6.721 92 HD21 LEU 16 3HD2 LEU 16 -6.823 1.737 -4.370 93 HD22 LEU 16 1HD2 LEU 16 -8.559 1.482 -4.548 94 HD23 LEU 16 2HD2 LEU 16 -7.792 2.882 -5.299 95 H GLU 17 H GLU 17 -3.644 2.547 -8.480 96 HA GLU 17 HA GLU 17 -2.480 -0.008 -8.931 97 HB3 GLU 17 2HB GLU 17 -2.730 2.390 -10.359 98 HG3 GLU 17 2HG GLU 17 -0.441 2.937 -9.402 99 H LEU 18 H LEU 18 -1.461 2.881 -7.241 100 HA LEU 18 HA LEU 18 1.276 2.310 -7.002 101 HB3 LEU 18 2HB LEU 18 -0.236 3.664 -4.810 102 HG LEU 18 HG LEU 18 2.433 4.124 -6.094 103 HD11 LEU 18 1HD1 LEU 18 0.646 6.185 -5.548 104 HD12 LEU 18 2HD1 LEU 18 2.388 6.321 -5.781 105 HD13 LEU 18 3HD1 LEU 18 1.728 6.140 -4.156 106 HD21 LEU 18 3HD2 LEU 18 1.498 3.003 -3.667 107 HD22 LEU 18 1HD2 LEU 18 2.332 4.508 -3.278 108 HD23 LEU 18 2HD2 LEU 18 3.164 3.250 -4.192 109 H VAL 19 H VAL 19 -1.383 1.683 -4.709 110 HA VAL 19 HA VAL 19 0.166 0.291 -2.821 111 HB VAL 19 HB VAL 19 -2.762 0.449 -3.396 112 HG11 VAL 19 1HG1 VAL 19 -3.091 -1.035 -1.362 113 HG12 VAL 19 2HG1 VAL 19 -2.628 -1.842 -2.860 114 HG13 VAL 19 3HG1 VAL 19 -1.426 -1.559 -1.602 115 HG21 VAL 19 3HG2 VAL 19 -2.588 2.055 -1.869 116 HG22 VAL 19 1HG2 VAL 19 -2.114 0.842 -0.680 117 HG23 VAL 19 2HG2 VAL 19 -0.882 1.677 -1.625 118 H ARG 20 H ARG 20 -2.011 -0.963 -5.353 119 HA ARG 20 HA ARG 20 -1.555 -3.671 -4.944 120 HB3 ARG 20 2HB ARG 20 -1.979 -3.659 -7.590 121 HG3 ARG 20 2HG ARG 20 -3.858 -3.250 -5.329 122 HD3 ARG 20 2HD ARG 20 -4.563 -1.944 -7.500 123 HE ARG 20 HE ARG 20 -4.740 -4.658 -8.416 124 HH11 ARG 20 1HH1 ARG 20 -6.114 -1.468 -8.658 125 HH12 ARG 20 2HH1 ARG 20 -6.771 -1.729 -10.240 126 HH21 ARG 20 1HH2 ARG 20 -5.600 -5.013 -10.499 127 HH22 ARG 20 2HH2 ARG 20 -6.478 -3.746 -11.286 128 H HIS 21 H HIS 21 0.273 -1.335 -6.854 129 HA HIS 21 HA HIS 21 2.012 -3.174 -8.098 130 HB3 HIS 21 2HB HIS 21 2.545 -0.280 -7.391 131 HD1 HIS 21 1HD HIS 21 3.793 -3.254 -9.292 132 HD2 HIS 21 2HD HIS 21 4.673 0.784 -8.854 133 HE1 HIS 21 1HE HIS 21 6.031 -2.930 -10.393 134 H LEU 22 H LEU 22 2.431 -1.172 -5.184 135 HA LEU 22 HA LEU 22 4.995 -2.024 -4.505 136 HB3 LEU 22 2HB LEU 22 4.311 -1.407 -2.154 137 HG LEU 22 HG LEU 22 3.523 0.723 -4.135 138 HD11 LEU 22 1HD1 LEU 22 4.050 2.269 -2.448 139 HD12 LEU 22 2HD1 LEU 22 4.840 1.044 -1.455 140 HD13 LEU 22 3HD1 LEU 22 3.087 1.025 -1.649 141 HD21 LEU 22 3HD2 LEU 22 6.136 1.184 -3.413 142 HD22 LEU 22 1HD2 LEU 22 5.589 0.517 -4.952 143 HD23 LEU 22 2HD2 LEU 22 6.090 -0.564 -3.651 144 H VAL 23 H VAL 23 1.843 -3.407 -3.695 145 HA VAL 23 HA VAL 23 2.814 -5.412 -1.948 146 HB VAL 23 HB VAL 23 0.265 -5.272 -3.559 147 HG11 VAL 23 1HG1 VAL 23 0.174 -6.995 -1.242 148 HG12 VAL 23 2HG1 VAL 23 -0.296 -7.327 -2.911 149 HG13 VAL 23 3HG1 VAL 23 1.381 -7.545 -2.405 150 HG21 VAL 23 3HG2 VAL 23 1.024 -3.757 -1.431 151 HG22 VAL 23 1HG2 VAL 23 -0.647 -4.136 -1.850 152 HG23 VAL 23 2HG2 VAL 23 0.195 -5.093 -0.631 153 H ALA 24 H ALA 24 1.897 -5.499 -5.385 154 HA ALA 24 HA ALA 24 2.410 -8.194 -5.864 155 HB1 ALA 24 1HB ALA 24 2.799 -7.430 -8.253 156 HB2 ALA 24 2HB ALA 24 1.251 -6.997 -7.527 157 HB3 ALA 24 3HB ALA 24 2.530 -5.790 -7.664 158 H GLU 25 H GLU 25 4.587 -5.401 -6.232 159 HA GLU 25 HA GLU 25 6.825 -6.888 -7.089 160 HB3 GLU 25 2HB GLU 25 8.130 -4.868 -6.451 161 HG3 GLU 25 2HG GLU 25 5.865 -3.512 -7.651 162 H ARG 26 H ARG 26 5.498 -6.225 -3.947 163 HA ARG 26 HA ARG 26 7.862 -6.987 -2.497 164 HB3 ARG 26 2HB ARG 26 6.128 -7.053 -0.560 165 HG3 ARG 26 2HG ARG 26 5.819 -4.401 -0.944 166 HD3 ARG 26 2HD ARG 26 7.173 -5.818 0.773 167 HE ARG 26 HE ARG 26 9.194 -6.431 -0.109 168 HH11 ARG 26 1HH1 ARG 26 8.534 -3.120 -0.960 169 HH12 ARG 26 2HH1 ARG 26 10.107 -2.842 -1.630 170 HH21 ARG 26 1HH2 ARG 26 11.269 -6.078 -0.989 171 HH22 ARG 26 2HH2 ARG 26 11.661 -4.526 -1.647 172 H ALA 27 H ALA 27 5.326 -8.640 -4.035 173 HA ALA 27 HA ALA 27 5.693 -11.041 -2.393 174 HB1 ALA 27 1HB ALA 27 3.796 -11.750 -4.180 175 HB2 ALA 27 2HB ALA 27 3.454 -10.985 -2.628 176 HB3 ALA 27 3HB ALA 27 3.527 -10.009 -4.096 177 H GLU 28 H GLU 28 7.357 -9.749 -4.751 178 HA GLU 28 HA GLU 28 8.803 -10.540 -6.320 179 HB3 GLU 28 2HB GLU 28 8.061 -13.362 -5.632 180 HG3 GLU 28 2HG GLU 28 9.974 -12.467 -7.261 181 H LEU 29 H LEU 29 6.126 -9.954 -7.049 182 HA LEU 29 HA LEU 29 5.974 -11.500 -9.509 183 HB3 LEU 29 2HB LEU 29 3.377 -11.495 -9.070 184 HG LEU 29 HG LEU 29 5.382 -13.524 -8.428 185 HD11 LEU 29 1HD1 LEU 29 3.793 -13.197 -6.342 186 HD12 LEU 29 2HD1 LEU 29 4.263 -14.798 -6.907 187 HD13 LEU 29 3HD1 LEU 29 2.688 -14.138 -7.342 188 HD21 LEU 29 3HD2 LEU 29 4.333 -13.694 -10.509 189 HD22 LEU 29 1HD2 LEU 29 2.735 -13.380 -9.833 190 HD23 LEU 29 2HD2 LEU 29 3.534 -14.922 -9.525 191 HA PRO 30 HA PRO 30 4.871 -7.667 -11.338 192 HB3 PRO 30 2HB PRO 30 4.880 -8.743 -13.368 193 HG3 PRO 30 2HG PRO 30 4.067 -10.912 -13.578 194 HD3 PRO 30 2HD PRO 30 5.477 -11.190 -11.777 195 H VAL 31 H VAL 31 3.217 -6.094 -11.572 196 HA VAL 31 HA VAL 31 1.132 -6.308 -9.621 197 HB VAL 31 HB VAL 31 2.310 -4.179 -10.066 198 HG11 VAL 31 1HG1 VAL 31 1.939 -4.767 -12.706 199 HG12 VAL 31 2HG1 VAL 31 0.721 -3.520 -12.432 200 HG13 VAL 31 3HG1 VAL 31 2.417 -3.192 -12.075 201 HG21 VAL 31 3HG2 VAL 31 0.527 -3.011 -9.365 202 HG22 VAL 31 1HG2 VAL 31 -0.428 -3.431 -10.787 203 HG23 VAL 31 2HG2 VAL 31 -0.316 -4.559 -9.435 204 H GLU 32 H GLU 32 1.362 -7.395 -12.743 205 HA GLU 32 HA GLU 32 -1.344 -6.822 -13.574 206 HB3 GLU 32 2HB GLU 32 0.362 -6.957 -15.279 207 HG3 GLU 32 2HG GLU 32 1.354 -9.138 -13.827 208 H VAL 33 H VAL 33 0.346 -9.336 -11.903 209 HA VAL 33 HA VAL 33 -1.849 -11.231 -12.219 210 HB VAL 33 HB VAL 33 -0.460 -12.818 -11.025 211 HG11 VAL 33 1HG1 VAL 33 0.070 -12.905 -13.269 212 HG12 VAL 33 2HG1 VAL 33 0.763 -11.282 -13.278 213 HG13 VAL 33 3HG1 VAL 33 1.650 -12.617 -12.541 214 HG21 VAL 33 3HG2 VAL 33 0.724 -10.507 -9.931 215 HG22 VAL 33 1HG2 VAL 33 1.086 -12.193 -9.560 216 HG23 VAL 33 2HG2 VAL 33 1.991 -11.354 -10.820 217 H LEU 34 H LEU 34 -1.049 -8.698 -10.199 218 HA LEU 34 HA LEU 34 -1.873 -9.732 -7.684 219 HB3 LEU 34 2HB LEU 34 -2.319 -6.884 -8.028 220 HG LEU 34 HG LEU 34 -0.431 -6.686 -6.377 221 HD11 LEU 34 1HD1 LEU 34 -1.789 -7.897 -4.547 222 HD12 LEU 34 2HD1 LEU 34 -2.930 -8.244 -5.846 223 HD13 LEU 34 3HD1 LEU 34 -2.545 -6.573 -5.434 224 HD21 LEU 34 3HD2 LEU 34 0.523 -8.579 -5.386 225 HD22 LEU 34 1HD2 LEU 34 0.550 -8.932 -7.114 226 HD23 LEU 34 2HD2 LEU 34 -0.681 -9.663 -6.084 227 H ARG 35 H ARG 35 -3.847 -10.089 -6.911 228 HA ARG 35 HA ARG 35 -6.142 -9.145 -8.481 229 HB3 ARG 35 2HB ARG 35 -6.855 -11.026 -6.427 230 HG3 ARG 35 2HG ARG 35 -8.037 -10.618 -8.603 231 HD3 ARG 35 2HD ARG 35 -5.670 -10.995 -9.794 232 HE ARG 35 HE ARG 35 -5.235 -13.225 -9.946 233 HH11 ARG 35 1HH1 ARG 35 -8.679 -12.758 -10.152 234 HH12 ARG 35 2HH1 ARG 35 -9.019 -14.429 -10.452 235 HH21 ARG 35 1HH2 ARG 35 -5.670 -15.428 -10.341 236 HH22 ARG 35 2HH2 ARG 35 -7.307 -15.948 -10.557 237 H ASP 36 H ASP 36 -8.029 -8.365 -7.376 238 HA ASP 36 HA ASP 36 -7.387 -6.556 -5.261 239 HB3 ASP 36 2HB ASP 36 -9.709 -5.852 -5.411 240 H ASP 37 H ASP 37 -8.349 -9.800 -5.348 241 HA ASP 37 HA ASP 37 -9.490 -9.701 -2.649 242 HB3 ASP 37 2HB ASP 37 -10.175 -12.027 -3.058 243 H SER 38 H SER 38 -6.550 -10.114 -4.131 244 HA SER 38 HA SER 38 -5.429 -12.262 -2.682 245 HB3 SER 38 2HB SER 38 -3.471 -11.742 -3.744 246 HG SER 38 HG SER 38 -4.377 -11.517 -5.621 247 H ARG 39 H ARG 39 -5.275 -12.359 -0.546 248 HA ARG 39 HA ARG 39 -5.231 -10.003 1.095 249 HB3 ARG 39 2HB ARG 39 -5.424 -11.449 2.937 250 HG3 ARG 39 2HG ARG 39 -6.598 -13.419 1.089 251 HD3 ARG 39 2HD ARG 39 -6.965 -13.017 3.647 252 HE ARG 39 HE ARG 39 -7.915 -10.614 2.915 253 HH11 ARG 39 1HH1 ARG 39 -9.476 -13.463 4.166 254 HH12 ARG 39 2HH1 ARG 39 -10.735 -12.582 4.965 255 HH21 ARG 39 1HH2 ARG 39 -9.568 -9.442 3.963 256 HH22 ARG 39 2HH2 ARG 39 -10.787 -10.294 4.848 257 H PHE 40 H PHE 40 -3.579 -9.541 2.691 258 HA PHE 40 HA PHE 40 -0.945 -9.698 1.547 259 HB3 PHE 40 2HB PHE 40 -0.270 -8.222 3.330 260 HD1 PHE 40 1HD PHE 40 -0.566 -7.108 1.029 261 HD2 PHE 40 2HD PHE 40 -3.596 -7.210 4.017 262 HE1 PHE 40 1HE PHE 40 -1.685 -5.197 -0.043 263 HE2 PHE 40 2HE PHE 40 -4.720 -5.299 2.949 264 HZ PHE 40 HZ PHE 40 -3.764 -4.290 0.916 265 H LEU 41 H LEU 41 -2.342 -12.147 2.620 266 HA LEU 41 HA LEU 41 -0.028 -13.288 3.894 267 HB3 LEU 41 2HB LEU 41 -1.698 -14.203 5.739 268 HG LEU 41 HG LEU 41 -0.436 -11.474 5.988 269 HD11 LEU 41 1HD1 LEU 41 -0.458 -12.334 8.475 270 HD12 LEU 41 2HD1 LEU 41 -1.863 -13.237 7.910 271 HD13 LEU 41 3HD1 LEU 41 -1.839 -11.478 7.789 272 HD21 LEU 41 3HD2 LEU 41 1.510 -12.485 6.590 273 HD22 LEU 41 1HD2 LEU 41 0.900 -13.716 5.483 274 HD23 LEU 41 2HD2 LEU 41 0.701 -13.918 7.224 275 H ASP 42 H ASP 42 -3.410 -13.661 2.948 276 HA ASP 42 HA ASP 42 -3.551 -16.446 2.912 277 HB3 ASP 42 2HB ASP 42 -4.935 -14.674 0.902 278 H ASP 43 H ASP 43 -2.790 -14.235 0.220 279 HA ASP 43 HA ASP 43 -1.486 -16.501 -1.141 280 HB3 ASP 43 2HB ASP 43 -1.920 -14.614 -3.104 281 H LEU 44 H LEU 44 -1.377 -12.957 -0.808 282 HA LEU 44 HA LEU 44 1.159 -12.590 -1.934 283 HB3 LEU 44 2HB LEU 44 1.135 -10.417 -0.962 284 HG LEU 44 HG LEU 44 -1.669 -11.270 -1.641 285 HD11 LEU 44 1HD1 LEU 44 -2.452 -9.424 -0.696 286 HD12 LEU 44 2HD1 LEU 44 -1.488 -8.490 -1.839 287 HD13 LEU 44 3HD1 LEU 44 -0.828 -8.895 -0.255 288 HD21 LEU 44 3HD2 LEU 44 0.565 -10.762 -3.192 289 HD22 LEU 44 1HD2 LEU 44 -0.362 -9.263 -3.276 290 HD23 LEU 44 2HD2 LEU 44 -1.111 -10.791 -3.743 291 H HIS 45 H HIS 45 0.192 -13.736 1.182 292 HA HIS 45 HA HIS 45 1.344 -14.298 3.074 293 HB3 HIS 45 2HB HIS 45 3.453 -14.980 1.014 294 HD1 HIS 45 1HD HIS 45 4.974 -17.027 1.822 295 HD2 HIS 45 2HD HIS 45 2.916 -14.996 4.805 296 HE1 HIS 45 1HE HIS 45 6.090 -17.687 3.977 297 H MET 46 H MET 46 1.483 -12.115 3.843 298 HA MET 46 HA MET 46 4.256 -11.171 3.955 299 HB3 MET 46 2HB MET 46 3.702 -8.925 3.490 300 HG3 MET 46 2HG MET 46 2.457 -10.858 1.628 301 HE1 MET 46 3HE MET 46 3.324 -7.276 0.165 302 HE2 MET 46 1HE MET 46 1.970 -6.358 0.825 303 HE3 MET 46 2HE MET 46 3.149 -7.093 1.911 304 H SER 47 H SER 47 4.839 -11.151 6.015 305 HA SER 47 HA SER 47 3.068 -11.395 8.176 306 HB3 SER 47 2HB SER 47 4.982 -11.175 9.592 307 HG SER 47 HG SER 47 6.424 -12.572 8.582 308 H SER 48 H SER 48 2.644 -9.905 9.908 309 HA SER 48 HA SER 48 1.551 -7.504 9.161 310 HB3 SER 48 2HB SER 48 2.229 -6.988 11.764 311 HG SER 48 HG SER 48 0.109 -7.101 11.054 312 H ILE 49 H ILE 49 4.847 -8.153 10.208 313 HA ILE 49 HA ILE 49 5.630 -5.405 10.317 314 HB ILE 49 HB ILE 49 7.282 -7.928 10.178 315 HG13 ILE 49 2HG1 ILE 49 7.693 -7.439 12.573 316 HG21 ILE 49 1HG2 ILE 49 8.766 -5.797 11.273 317 HG22 ILE 49 2HG2 ILE 49 9.061 -6.671 9.770 318 HG23 ILE 49 3HG2 ILE 49 8.065 -5.215 9.762 319 HD11 ILE 49 3HD1 ILE 49 5.399 -5.549 12.604 320 HD12 ILE 49 1HD1 ILE 49 6.700 -5.768 13.774 321 HD13 ILE 49 2HD1 ILE 49 7.014 -4.937 12.250 322 H THR 50 H THR 50 5.923 -7.991 7.923 323 HA THR 50 HA THR 50 7.544 -6.627 6.081 324 HB THR 50 HB THR 50 5.465 -8.756 5.541 325 HG1 THR 50 1HG THR 50 6.929 -10.093 6.275 326 HG21 THR 50 3HG2 THR 50 6.296 -7.345 3.572 327 HG22 THR 50 1HG2 THR 50 6.449 -9.096 3.434 328 HG23 THR 50 2HG2 THR 50 7.858 -8.116 3.838 329 H VAL 51 H VAL 51 4.069 -6.617 6.599 330 HA VAL 51 HA VAL 51 3.342 -5.287 4.214 331 HB VAL 51 HB VAL 51 1.839 -5.032 6.808 332 HG11 VAL 51 1HG1 VAL 51 1.175 -4.844 3.901 333 HG12 VAL 51 2HG1 VAL 51 -0.073 -5.296 5.064 334 HG13 VAL 51 3HG1 VAL 51 0.760 -3.748 5.219 335 HG21 VAL 51 3HG2 VAL 51 0.913 -7.228 5.218 336 HG22 VAL 51 1HG2 VAL 51 2.616 -7.455 5.612 337 HG23 VAL 51 2HG2 VAL 51 1.437 -7.216 6.901 338 H GLY 52 H GLY 52 3.866 -4.059 7.521 339 HA2 GLY 52 2HA GLY 52 3.383 -1.362 7.001 340 HA3 GLY 52 3HA GLY 52 4.420 -1.968 8.283 341 H GLN 53 H GLN 53 6.189 -3.305 6.302 342 HA GLN 53 HA GLN 53 8.080 -1.246 6.007 343 HB3 GLN 53 2HB GLN 53 9.382 -2.856 4.723 344 HG3 GLN 53 2HG GLN 53 8.624 -4.975 6.322 345 HE21 GLN 53 1HE2 GLN 53 10.813 -5.223 5.691 346 HE22 GLN 53 2HE2 GLN 53 12.081 -4.451 6.573 347 H LEU 54 H LEU 54 5.936 -2.798 3.638 348 HA LEU 54 HA LEU 54 6.791 -1.018 1.530 349 HB3 LEU 54 2HB LEU 54 5.939 -3.494 1.403 350 HG LEU 54 HG LEU 54 3.559 -2.624 2.216 351 HD11 LEU 54 1HD1 LEU 54 3.752 -1.263 -0.148 352 HD12 LEU 54 2HD1 LEU 54 2.250 -1.653 0.688 353 HD13 LEU 54 3HD1 LEU 54 2.832 -2.694 -0.611 354 HD21 LEU 54 3HD2 LEU 54 2.712 -4.506 0.488 355 HD22 LEU 54 1HD2 LEU 54 3.575 -4.867 1.983 356 HD23 LEU 54 2HD2 LEU 54 4.449 -4.812 0.451 357 H VAL 55 H VAL 55 4.128 -1.282 3.779 358 HA VAL 55 HA VAL 55 2.272 0.414 2.589 359 HB VAL 55 HB VAL 55 2.866 -0.219 5.463 360 HG11 VAL 55 1HG1 VAL 55 1.175 1.953 4.390 361 HG12 VAL 55 2HG1 VAL 55 0.473 0.965 5.672 362 HG13 VAL 55 3HG1 VAL 55 1.995 1.815 5.944 363 HG21 VAL 55 3HG2 VAL 55 0.714 -1.354 5.347 364 HG22 VAL 55 1HG2 VAL 55 0.494 -0.792 3.689 365 HG23 VAL 55 2HG2 VAL 55 1.788 -1.928 4.072 366 H ASN 56 H ASN 56 5.170 1.151 4.421 367 HA ASN 56 HA ASN 56 4.644 3.904 4.827 368 HB3 ASN 56 2HB ASN 56 7.348 3.806 4.857 369 HD21 ASN 56 1HD2 ASN 56 6.622 1.452 7.087 370 HD22 ASN 56 2HD2 ASN 56 6.215 2.465 8.425 371 H GLU 57 H GLU 57 6.110 2.081 2.212 372 HA GLU 57 HA GLU 57 7.162 4.335 0.823 373 HB3 GLU 57 2HB GLU 57 6.524 1.527 -0.084 374 HG3 GLU 57 2HG GLU 57 6.536 3.071 -2.010 375 H ALA 58 H ALA 58 4.099 2.632 0.795 376 HA ALA 58 HA ALA 58 3.048 3.735 -1.576 377 HB1 ALA 58 1HB ALA 58 2.091 2.113 0.615 378 HB2 ALA 58 2HB ALA 58 0.876 3.283 0.098 379 HB3 ALA 58 3HB ALA 58 1.568 2.156 -1.069 380 H ALA 59 H ALA 59 2.612 4.697 1.827 381 HA ALA 59 HA ALA 59 1.001 6.941 1.322 382 HB1 ALA 59 1HB ALA 59 2.329 5.757 3.591 383 HB2 ALA 59 2HB ALA 59 2.442 7.517 3.638 384 HB3 ALA 59 3HB ALA 59 0.864 6.739 3.531 385 H ARG 60 H ARG 60 4.495 6.536 1.417 386 HA ARG 60 HA ARG 60 5.244 9.231 1.452 387 HB3 ARG 60 2HB ARG 60 6.847 7.282 -0.136 388 HG3 ARG 60 2HG ARG 60 8.545 8.190 1.668 389 HD3 ARG 60 2HD ARG 60 7.990 8.750 -0.985 390 HE ARG 60 HE ARG 60 7.352 10.938 -1.003 391 HH11 ARG 60 1HH1 ARG 60 9.662 10.476 1.560 392 HH12 ARG 60 2HH1 ARG 60 9.752 12.159 1.960 393 HH21 ARG 60 1HH2 ARG 60 7.461 13.157 -0.486 394 HH22 ARG 60 2HH2 ARG 60 8.498 13.683 0.796 395 H ALA 61 H ALA 61 4.527 7.069 -1.261 396 HA ALA 61 HA ALA 61 5.142 8.955 -3.292 397 HB1 ALA 61 1HB ALA 61 3.682 7.364 -4.696 398 HB2 ALA 61 2HB ALA 61 5.180 6.743 -4.004 399 HB3 ALA 61 3HB ALA 61 3.636 6.366 -3.242 400 H MET 62 H MET 62 2.171 8.075 -1.598 401 HA MET 62 HA MET 62 0.456 9.678 -3.211 402 HB3 MET 62 2HB MET 62 -1.204 9.302 -1.415 403 HG3 MET 62 2HG MET 62 -1.306 6.875 -1.460 404 HE1 MET 62 3HE MET 62 -3.152 8.168 -2.595 405 HE2 MET 62 1HE MET 62 -2.392 9.530 -3.418 406 HE3 MET 62 2HE MET 62 -3.324 8.352 -4.342 407 H GLY 63 H GLY 63 2.564 10.323 -0.561 408 HA2 GLY 63 2HA GLY 63 3.264 12.525 -0.019 409 HA3 GLY 63 3HA GLY 63 1.733 13.134 -0.631 410 H LEU 64 H LEU 64 1.427 10.389 1.350 411 HA LEU 64 HA LEU 64 0.028 11.883 3.351 412 HB3 LEU 64 2HB LEU 64 -0.559 9.815 4.290 413 HG LEU 64 HG LEU 64 -0.132 8.875 1.471 414 HD11 LEU 64 1HD1 LEU 64 -2.501 8.520 3.287 415 HD12 LEU 64 2HD1 LEU 64 -1.125 7.416 3.289 416 HD13 LEU 64 3HD1 LEU 64 -2.091 7.618 1.827 417 HD21 LEU 64 3HD2 LEU 64 -2.582 10.044 1.411 418 HD22 LEU 64 1HD2 LEU 64 -1.105 10.779 0.786 419 HD23 LEU 64 2HD2 LEU 64 -1.679 11.190 2.403 420 H SER 65 H SER 65 0.654 10.558 5.699 421 HA SER 65 HA SER 65 3.476 10.767 6.231 422 HB3 SER 65 2HB SER 65 3.020 13.108 6.359 423 HG SER 65 HG SER 65 1.313 13.816 7.838 424 H ALA 66 H ALA 66 0.694 11.351 8.352 425 HA ALA 66 HA ALA 66 1.569 9.291 10.160 426 HB1 ALA 66 1HB ALA 66 -0.053 10.077 11.641 427 HB2 ALA 66 2HB ALA 66 0.455 11.522 10.764 428 HB3 ALA 66 3HB ALA 66 -1.059 10.722 10.343 429 H VAL 67 H VAL 67 -0.363 9.363 7.395 430 HA VAL 67 HA VAL 67 -2.380 7.515 7.992 431 HB VAL 67 HB VAL 67 -0.986 7.975 5.351 432 HG11 VAL 67 1HG1 VAL 67 -3.445 6.444 6.110 433 HG12 VAL 67 2HG1 VAL 67 -3.282 7.157 4.504 434 HG13 VAL 67 3HG1 VAL 67 -2.112 5.962 5.063 435 HG21 VAL 67 3HG2 VAL 67 -1.894 10.036 5.908 436 HG22 VAL 67 1HG2 VAL 67 -3.187 9.286 4.972 437 HG23 VAL 67 2HG2 VAL 67 -3.278 9.317 6.733 438 H ALA 68 H ALA 68 0.986 7.088 7.688 439 HA ALA 68 HA ALA 68 1.448 4.652 6.624 440 HB1 ALA 68 1HB ALA 68 2.632 5.157 9.312 441 HB2 ALA 68 2HB ALA 68 3.394 4.560 7.836 442 HB3 ALA 68 3HB ALA 68 2.992 6.270 7.991 443 H MET 69 H MET 69 0.169 2.914 6.753 444 HA MET 69 HA MET 69 -0.915 1.105 7.605 445 HB3 MET 69 2HB MET 69 -0.165 0.160 9.625 446 HG3 MET 69 2HG MET 69 2.252 1.821 9.262 447 HE1 MET 69 3HE MET 69 0.577 -1.332 8.397 448 HE2 MET 69 1HE MET 69 1.936 -2.454 8.331 449 HE3 MET 69 2HE MET 69 0.942 -2.358 9.785 450 HA PRO 70 HA PRO 70 -4.206 3.871 9.252 451 HB3 PRO 70 2HB PRO 70 -5.034 4.164 7.128 452 HG3 PRO 70 2HG PRO 70 -4.625 2.601 5.456 453 HD3 PRO 70 2HD PRO 70 -2.480 2.913 6.238 454 H THR 71 H THR 71 -3.957 0.422 8.777 455 HA THR 71 HA THR 71 -5.026 -0.201 11.303 456 HB THR 71 HB THR 71 -7.168 0.432 10.222 457 HG1 THR 71 1HG THR 71 -7.864 -1.031 11.573 458 HG21 THR 71 3HG2 THR 71 -6.155 -0.829 8.000 459 HG22 THR 71 1HG2 THR 71 -7.835 -0.344 8.224 460 HG23 THR 71 2HG2 THR 71 -7.337 -1.993 8.599 461 H ASN 72 H ASN 72 -5.547 -2.649 11.434 462 HA ASN 72 HA ASN 72 -3.317 -4.109 10.769 463 HB3 ASN 72 2HB ASN 72 -6.071 -5.328 10.983 464 HD21 ASN 72 1HD2 ASN 72 -3.734 -6.033 13.313 465 HD22 ASN 72 2HD2 ASN 72 -3.215 -7.558 12.688 466 H PHE 73 H PHE 73 -2.670 -5.391 9.095 467 HA PHE 73 HA PHE 73 -4.360 -5.346 6.680 468 HB3 PHE 73 2HB PHE 73 -2.074 -5.582 5.483 469 HD1 PHE 73 2HD PHE 73 -4.155 -4.069 4.691 470 HD2 PHE 73 1HD PHE 73 -0.948 -2.793 7.183 471 HE1 PHE 73 2HE PHE 73 -4.577 -1.736 4.035 472 HE2 PHE 73 1HE PHE 73 -1.366 -0.458 6.532 473 HZ PHE 73 HZ PHE 73 -3.181 0.074 4.954 474 H ALA 74 H ALA 74 -2.685 -7.256 8.952 475 HA ALA 74 HA ALA 74 -1.995 -9.528 7.517 476 HB1 ALA 74 1HB ALA 74 -3.135 -9.540 10.304 477 HB2 ALA 74 2HB ALA 74 -2.024 -10.709 9.587 478 HB3 ALA 74 3HB ALA 74 -1.480 -9.065 9.922 479 H THR 75 H THR 75 -5.096 -8.256 8.182 480 HA THR 75 HA THR 75 -6.334 -10.743 7.196 481 HB THR 75 HB THR 75 -6.932 -10.456 9.537 482 HG1 THR 75 1HG THR 75 -9.038 -10.822 9.187 483 HG21 THR 75 3HG2 THR 75 -6.776 -7.778 9.085 484 HG22 THR 75 1HG2 THR 75 -7.530 -8.508 10.501 485 HG23 THR 75 2HG2 THR 75 -8.522 -8.019 9.127 486 H ALA 76 H ALA 76 -5.464 -7.906 6.141 487 HA ALA 76 HA ALA 76 -8.014 -7.228 4.842 488 HB1 ALA 76 1HB ALA 76 -7.266 -5.041 4.576 489 HB2 ALA 76 2HB ALA 76 -6.651 -5.492 6.166 490 HB3 ALA 76 3HB ALA 76 -5.572 -5.494 4.771 491 H THR 77 H THR 77 -7.664 -6.280 2.562 492 HA THR 77 HA THR 77 -5.813 -8.044 1.093 493 HB THR 77 HB THR 77 -7.421 -7.951 -0.799 494 HG1 THR 77 1HG THR 77 -9.146 -6.723 -0.667 495 HG21 THR 77 3HG2 THR 77 -7.452 -9.611 1.315 496 HG22 THR 77 1HG2 THR 77 -8.564 -9.761 -0.045 497 HG23 THR 77 2HG2 THR 77 -9.083 -8.952 1.435 498 H VAL 78 H VAL 78 -5.307 -7.187 -1.148 499 HA VAL 78 HA VAL 78 -3.937 -4.785 -0.991 500 HB VAL 78 HB VAL 78 -3.603 -4.903 -3.351 501 HG11 VAL 78 1HG1 VAL 78 -3.711 -7.747 -3.237 502 HG12 VAL 78 2HG1 VAL 78 -2.312 -6.686 -3.064 503 HG13 VAL 78 3HG1 VAL 78 -3.261 -7.135 -1.645 504 HG21 VAL 78 3HG2 VAL 78 -5.907 -5.125 -4.071 505 HG22 VAL 78 1HG2 VAL 78 -4.928 -6.400 -4.795 506 HG23 VAL 78 2HG2 VAL 78 -5.978 -6.765 -3.426 507 H ARG 79 H ARG 79 -7.238 -5.415 -2.024 508 HA ARG 79 HA ARG 79 -7.764 -2.872 -3.134 509 HB3 ARG 79 2HB ARG 79 -9.662 -4.874 -1.899 510 HG3 ARG 79 2HG ARG 79 -11.129 -3.703 -3.794 511 HD3 ARG 79 2HD ARG 79 -10.816 -2.589 -1.009 512 HE ARG 79 HE ARG 79 -12.544 -1.691 -2.875 513 HH11 ARG 79 1HH1 ARG 79 -12.959 -3.546 0.042 514 HH12 ARG 79 2HH1 ARG 79 -14.549 -2.935 0.359 515 HH21 ARG 79 1HH2 ARG 79 -14.637 -0.879 -2.468 516 HH22 ARG 79 2HH2 ARG 79 -15.503 -1.419 -1.070 517 H GLU 80 H GLU 80 -8.099 -4.180 0.127 518 HA GLU 80 HA GLU 80 -9.457 -1.974 1.245 519 HB3 GLU 80 2HB GLU 80 -8.545 -2.888 3.431 520 HG3 GLU 80 2HG GLU 80 -9.977 -4.734 1.543 521 H MET 81 H MET 81 -6.007 -2.828 1.166 522 HA MET 81 HA MET 81 -5.105 -0.564 2.585 523 HB3 MET 81 2HB MET 81 -3.654 -2.292 0.572 524 HG3 MET 81 2HG MET 81 -2.361 -0.712 2.761 525 HE1 MET 81 3HE MET 81 -0.882 -2.330 3.464 526 HE2 MET 81 1HE MET 81 -1.215 -3.747 2.468 527 HE3 MET 81 2HE MET 81 0.423 -3.099 2.559 528 H ALA 82 H ALA 82 -5.514 -1.199 -0.872 529 HA ALA 82 HA ALA 82 -4.400 1.254 -1.758 530 HB1 ALA 82 1HB ALA 82 -4.886 0.546 -3.861 531 HB2 ALA 82 2HB ALA 82 -5.011 -1.002 -3.023 532 HB3 ALA 82 3HB ALA 82 -6.469 -0.084 -3.404 533 H GLU 83 H GLU 83 -7.773 0.181 -1.351 534 HA GLU 83 HA GLU 83 -8.977 2.599 -2.107 535 HB3 GLU 83 2HB GLU 83 -10.902 1.704 -0.625 536 HG3 GLU 83 2HG GLU 83 -10.674 -0.528 -2.306 537 H ALA 84 H ALA 84 -7.729 1.473 0.979 538 HA ALA 84 HA ALA 84 -8.832 3.469 2.621 539 HB1 ALA 84 1HB ALA 84 -7.978 1.883 3.970 540 HB2 ALA 84 2HB ALA 84 -6.682 1.475 2.847 541 HB3 ALA 84 3HB ALA 84 -6.526 2.882 3.900 542 H LEU 85 H LEU 85 -5.708 3.303 0.935 543 HA LEU 85 HA LEU 85 -4.816 5.849 1.844 544 HB3 LEU 85 2HB LEU 85 -3.111 5.606 0.045 545 HG LEU 85 HG LEU 85 -3.408 3.078 1.665 546 HD11 LEU 85 1HD1 LEU 85 -1.522 2.379 0.737 547 HD12 LEU 85 2HD1 LEU 85 -0.719 3.898 1.130 548 HD13 LEU 85 3HD1 LEU 85 -1.606 3.737 -0.386 549 HD21 LEU 85 3HD2 LEU 85 -2.744 5.804 2.397 550 HD22 LEU 85 1HD2 LEU 85 -1.445 4.675 2.786 551 HD23 LEU 85 2HD2 LEU 85 -3.069 4.405 3.422 552 H GLU 86 H GLU 86 -6.274 4.705 -1.183 553 HA GLU 86 HA GLU 86 -6.182 7.143 -2.566 554 HB3 GLU 86 2HB GLU 86 -6.895 4.650 -3.255 555 HG3 GLU 86 2HG GLU 86 -9.503 6.140 -3.058 556 H ALA 87 H ALA 87 -8.464 5.867 -0.232 557 HA ALA 87 HA ALA 87 -10.533 7.746 -0.655 558 HB1 ALA 87 1HB ALA 87 -10.945 7.088 1.895 559 HB2 ALA 87 2HB ALA 87 -11.338 6.005 0.559 560 HB3 ALA 87 3HB ALA 87 -9.834 5.790 1.455 561 H ARG 88 H ARG 88 -7.666 7.754 1.395 562 HA ARG 88 HA ARG 88 -8.305 10.044 2.909 563 HB3 ARG 88 2HB ARG 88 -6.061 10.016 3.649 564 HG3 ARG 88 2HG ARG 88 -5.808 7.215 3.047 565 HD3 ARG 88 2HD ARG 88 -4.909 8.165 5.052 566 HE ARG 88 HE ARG 88 -6.121 9.846 6.000 567 HH11 ARG 88 1HH1 ARG 88 -8.257 7.183 5.314 568 HH12 ARG 88 2HH1 ARG 88 -9.625 7.909 6.091 569 HH21 ARG 88 1HH2 ARG 88 -7.915 10.814 7.026 570 HH22 ARG 88 2HH2 ARG 88 -9.429 9.975 7.064 571 H GLU 89 H GLU 89 -6.180 9.691 0.066 572 HA GLU 89 HA GLU 89 -5.719 12.465 -0.239 573 HB3 GLU 89 2HB GLU 89 -4.892 11.842 -2.504 574 HG3 GLU 89 2HG GLU 89 -3.513 9.713 -1.377 575 H ARG 90 H ARG 90 -8.192 10.297 -1.435 576 HA ARG 90 HA ARG 90 -9.251 11.909 -3.470 577 HB3 ARG 90 2HB ARG 90 -10.519 9.817 -1.706 578 HG3 ARG 90 2HG ARG 90 -11.693 11.012 -4.208 579 HD3 ARG 90 2HD ARG 90 -12.345 8.670 -2.497 580 HE ARG 90 HE ARG 90 -14.356 10.557 -3.298 581 HH11 ARG 90 1HH1 ARG 90 -13.658 7.196 -2.718 582 HH12 ARG 90 2HH1 ARG 90 -15.309 6.773 -2.403 583 HH21 ARG 90 1HH2 ARG 90 -16.533 10.013 -2.887 584 HH22 ARG 90 2HH2 ARG 90 -16.942 8.375 -2.501 585 H GLU 91 H GLU 91 -9.439 12.153 -0.038 586 HA GLU 91 HA GLU 91 -11.627 14.101 -0.218 587 HB3 GLU 91 2HB GLU 91 -10.418 13.023 2.321 588 HG3 GLU 91 2HG GLU 91 -12.849 14.549 1.625 589 H ALA 92 H ALA 92 -8.247 13.762 0.497 590 HA ALA 92 HA ALA 92 -7.696 16.039 1.956 591 HB1 ALA 92 1HB ALA 92 -5.826 14.771 1.712 592 HB2 ALA 92 2HB ALA 92 -6.163 14.395 0.022 593 HB3 ALA 92 3HB ALA 92 -5.503 15.970 0.460 594 HA PRO 93 HA PRO 93 -8.385 19.551 -0.583 595 HB3 PRO 93 2HB PRO 93 -7.589 20.839 1.144 596 HG3 PRO 93 2HG PRO 93 -5.793 20.131 2.440 597 HD3 PRO 93 2HD PRO 93 -7.109 18.239 2.518 598 H HIS 94 H HIS 94 -8.189 18.790 -2.691 599 HA HIS 94 HA HIS 94 -5.901 19.733 -4.139 600 HB3 HIS 94 2HB HIS 94 -5.166 17.476 -3.288 601 HD1 HIS 94 1HD HIS 94 -8.313 16.929 -3.189 602 HD2 HIS 94 2HD HIS 94 -5.526 14.966 -5.565 603 HE1 HIS 94 1HE HIS 94 -9.343 14.700 -3.730 604 H LEU 95 H LEU 95 -6.145 19.225 -6.532 605 HA LEU 95 HA LEU 95 -8.599 20.133 -7.455 606 HB3 LEU 95 2HB LEU 95 -7.333 18.499 -9.448 607 HG LEU 95 HG LEU 95 -6.840 20.560 -10.609 608 HD11 LEU 95 1HD1 LEU 95 -9.173 19.659 -10.556 609 HD12 LEU 95 2HD1 LEU 95 -9.055 21.385 -10.894 610 HD13 LEU 95 3HD1 LEU 95 -9.533 20.832 -9.288 611 HD21 LEU 95 3HD2 LEU 95 -7.984 22.285 -8.503 612 HD22 LEU 95 1HD2 LEU 95 -6.697 22.607 -9.665 613 HD23 LEU 95 2HD2 LEU 95 -6.358 21.667 -8.213 614 H GLU 96 H GLU 96 -10.499 19.156 -7.240 615 HA GLU 96 HA GLU 96 -10.752 16.376 -8.117 616 HB3 GLU 96 2HB GLU 96 -10.527 16.295 -5.670 617 HG3 GLU 96 2HG GLU 96 -12.815 18.219 -5.738 618 H HIS 97 H HIS 97 -13.288 15.837 -7.914 619 HA HIS 97 HA HIS 97 -14.561 17.798 -9.631 620 HB3 HIS 97 2HB HIS 97 -16.329 16.080 -9.879 621 HD1 HIS 97 1HD HIS 97 -14.935 16.544 -12.144 622 HD2 HIS 97 2HD HIS 97 -13.575 13.445 -9.735 623 HE1 HIS 97 1HE HIS 97 -13.433 15.161 -13.612 624 H HIS 98 H HIS 98 -17.085 17.938 -9.205 625 HA HIS 98 HA HIS 98 -17.448 18.652 -6.369 626 HB3 HIS 98 2HB HIS 98 -19.212 20.184 -7.996 627 HD1 HIS 98 1HD HIS 98 -15.912 21.735 -7.432 628 HD2 HIS 98 2HD HIS 98 -19.448 21.178 -5.323 629 HE1 HIS 98 1HE HIS 98 -15.783 23.309 -5.474 630 H HIS 99 H HIS 99 -19.994 19.107 -6.081 631 HA HIS 99 HA HIS 99 -21.319 16.654 -7.030 632 HB3 HIS 99 2HB HIS 99 -22.261 18.187 -4.634 633 HD1 HIS 99 1HD HIS 99 -21.414 14.840 -3.781 634 HD2 HIS 99 2HD HIS 99 -24.567 16.623 -5.816 635 HE1 HIS 99 1HE HIS 99 -23.281 13.155 -3.738 636 H HIS 100 H HIS 100 -23.146 16.809 -8.180 637 HA HIS 100 HA HIS 100 -24.560 19.385 -8.238 638 HB3 HIS 100 2HB HIS 100 -24.856 18.335 -10.803 639 HD1 HIS 100 1HD HIS 100 -25.561 20.673 -11.401 640 HD2 HIS 100 2HD HIS 100 -21.714 20.507 -9.841 641 HE1 HIS 100 1HE HIS 100 -24.601 22.973 -11.734 642 H HIS 101 H HIS 101 -26.775 19.282 -8.498 643 HA HIS 101 HA HIS 101 -28.870 18.405 -8.363 644 HB3 HIS 101 2HB HIS 101 -27.711 15.904 -9.600 645 HD1 HIS 101 1HD HIS 101 -30.302 17.068 -11.643 646 HD2 HIS 101 2HD HIS 101 -30.220 15.160 -7.954 647 HE1 HIS 101 1HE HIS 101 -32.580 16.041 -11.367 648 H HIS 102 H HIS 102 -29.275 18.195 -6.232 649 HA HIS 102 HA HIS 102 -28.256 15.832 -4.825 650 HB3 HIS 102 2HB HIS 102 -29.716 18.150 -3.566 651 HD1 HIS 102 1HD HIS 102 -28.785 18.453 -1.031 652 HD2 HIS 102 2HD HIS 102 -28.109 14.780 -2.851 653 HE1 HIS 102 1HE HIS 102 -28.251 16.862 0.843 Start of MODEL 8 1 H1 MET 1 H MET 1 -8.491 -15.928 -12.706 2 HA MET 1 HA MET 1 -10.547 -14.596 -13.086 3 HB3 MET 1 2HB MET 1 -10.409 -13.293 -10.826 4 HG3 MET 1 2HG MET 1 -9.900 -16.238 -10.615 5 HE1 MET 1 3HE MET 1 -13.313 -15.286 -9.889 6 HE2 MET 1 1HE MET 1 -12.851 -16.829 -9.170 7 HE3 MET 1 2HE MET 1 -13.391 -15.503 -8.140 8 H ALA 2 H ALA 2 -10.758 -13.086 -14.644 9 HA ALA 2 HA ALA 2 -10.783 -11.042 -15.645 10 HB1 ALA 2 1HB ALA 2 -10.938 -9.171 -14.311 11 HB2 ALA 2 2HB ALA 2 -11.328 -10.453 -13.164 12 HB3 ALA 2 3HB ALA 2 -9.714 -9.744 -13.178 13 H ARG 3 H ARG 3 -9.095 -11.602 -17.067 14 HA ARG 3 HA ARG 3 -6.362 -10.970 -16.322 15 HB3 ARG 3 2HB ARG 3 -5.846 -11.747 -18.644 16 HG3 ARG 3 2HG ARG 3 -7.598 -13.869 -17.542 17 HD3 ARG 3 2HD ARG 3 -4.734 -14.322 -17.831 18 HE ARG 3 HE ARG 3 -7.143 -15.747 -18.411 19 HH11 ARG 3 1HH1 ARG 3 -3.748 -15.529 -19.151 20 HH12 ARG 3 2HH1 ARG 3 -3.609 -17.192 -19.617 21 HH21 ARG 3 1HH2 ARG 3 -6.974 -17.938 -19.022 22 HH22 ARG 3 2HH2 ARG 3 -5.445 -18.562 -19.544 23 H ALA 4 H ALA 4 -7.551 -8.672 -16.046 24 HA ALA 4 HA ALA 4 -7.601 -7.152 -18.511 25 HB1 ALA 4 1HB ALA 4 -9.069 -5.980 -17.329 26 HB2 ALA 4 2HB ALA 4 -8.624 -6.825 -15.847 27 HB3 ALA 4 3HB ALA 4 -7.734 -5.386 -16.342 28 H ASP 5 H ASP 5 -5.408 -7.791 -15.901 29 HA ASP 5 HA ASP 5 -3.732 -5.594 -15.966 30 HB3 ASP 5 2HB ASP 5 -1.945 -7.144 -15.199 31 H ASP 6 H ASP 6 -2.786 -8.647 -17.520 32 HA ASP 6 HA ASP 6 -1.502 -9.062 -19.358 33 HB3 ASP 6 2HB ASP 6 -3.133 -6.751 -20.429 34 H THR 7 H THR 7 0.248 -8.136 -17.876 35 HA THR 7 HA THR 7 2.161 -6.930 -17.607 36 HB THR 7 HB THR 7 2.433 -5.791 -20.239 37 HG1 THR 7 1HG THR 7 1.723 -8.551 -20.115 38 HG21 THR 7 3HG2 THR 7 3.833 -7.739 -18.487 39 HG22 THR 7 1HG2 THR 7 4.440 -6.278 -19.265 40 HG23 THR 7 2HG2 THR 7 4.225 -7.755 -20.206 41 H ALA 8 H ALA 8 3.190 -4.646 -18.263 42 HA ALA 8 HA ALA 8 3.082 -2.416 -17.789 43 HB1 ALA 8 1HB ALA 8 0.501 -2.050 -19.149 44 HB2 ALA 8 2HB ALA 8 2.055 -1.263 -19.425 45 HB3 ALA 8 3HB ALA 8 1.747 -2.865 -20.096 46 H LEU 9 H LEU 9 1.051 -0.636 -17.349 47 HA LEU 9 HA LEU 9 0.333 -1.200 -14.676 48 HB3 LEU 9 2HB LEU 9 -1.237 0.853 -15.137 49 HG LEU 9 HG LEU 9 0.804 1.131 -13.832 50 HD11 LEU 9 1HD1 LEU 9 2.842 1.925 -15.236 51 HD12 LEU 9 2HD1 LEU 9 2.083 0.992 -16.527 52 HD13 LEU 9 3HD1 LEU 9 2.545 0.199 -15.022 53 HD21 LEU 9 3HD2 LEU 9 0.491 3.225 -15.980 54 HD22 LEU 9 1HD2 LEU 9 1.275 3.454 -14.418 55 HD23 LEU 9 2HD2 LEU 9 -0.454 3.114 -14.494 56 HA PRO 10 HA PRO 10 -3.295 -3.639 -15.493 57 HB3 PRO 10 2HB PRO 10 -2.738 -4.813 -13.599 58 HG3 PRO 10 2HG PRO 10 -1.632 -3.784 -11.832 59 HD3 PRO 10 2HD PRO 10 -0.287 -3.119 -13.582 60 H ALA 11 H ALA 11 -3.298 -0.745 -13.464 61 HA ALA 11 HA ALA 11 -5.852 0.040 -14.620 62 HB1 ALA 11 1HB ALA 11 -6.376 0.727 -12.061 63 HB2 ALA 11 2HB ALA 11 -6.949 -0.758 -12.824 64 HB3 ALA 11 3HB ALA 11 -5.500 -0.785 -11.819 65 H ALA 12 H ALA 12 -6.005 2.194 -14.930 66 HA ALA 12 HA ALA 12 -3.688 3.810 -14.310 67 HB1 ALA 12 1HB ALA 12 -4.257 4.772 -16.224 68 HB2 ALA 12 2HB ALA 12 -5.754 3.839 -16.276 69 HB3 ALA 12 3HB ALA 12 -5.718 5.401 -15.460 70 H THR 13 H THR 13 -6.296 2.953 -12.554 71 HA THR 13 HA THR 13 -7.540 5.133 -11.520 72 HB THR 13 HB THR 13 -6.457 2.830 -9.884 73 HG1 THR 13 1HG THR 13 -8.452 1.874 -10.342 74 HG21 THR 13 3HG2 THR 13 -7.147 4.410 -8.312 75 HG22 THR 13 1HG2 THR 13 -8.580 3.405 -8.526 76 HG23 THR 13 2HG2 THR 13 -8.477 4.975 -9.322 77 H GLY 14 H GLY 14 -4.254 4.058 -10.801 78 HA2 GLY 14 2HA GLY 14 -2.500 5.543 -10.234 79 HA3 GLY 14 3HA GLY 14 -3.697 6.714 -9.701 80 H ALA 15 H ALA 15 -4.852 6.240 -7.685 81 HA ALA 15 HA ALA 15 -3.061 5.553 -5.615 82 HB1 ALA 15 1HB ALA 15 -4.641 6.345 -4.208 83 HB2 ALA 15 2HB ALA 15 -5.329 6.983 -5.702 84 HB3 ALA 15 3HB ALA 15 -5.950 5.482 -5.016 85 H LEU 16 H LEU 16 -5.692 3.789 -7.177 86 HA LEU 16 HA LEU 16 -5.632 1.563 -5.410 87 HB3 LEU 16 2HB LEU 16 -6.537 1.311 -8.240 88 HG LEU 16 HG LEU 16 -8.432 0.125 -7.361 89 HD11 LEU 16 1HD1 LEU 16 -5.990 -0.883 -7.472 90 HD12 LEU 16 2HD1 LEU 16 -7.356 -1.820 -6.870 91 HD13 LEU 16 3HD1 LEU 16 -6.245 -1.053 -5.736 92 HD21 LEU 16 3HD2 LEU 16 -7.374 1.030 -4.700 93 HD22 LEU 16 1HD2 LEU 16 -8.459 -0.352 -4.853 94 HD23 LEU 16 2HD2 LEU 16 -8.989 1.245 -5.380 95 H GLU 17 H GLU 17 -4.189 2.200 -8.585 96 HA GLU 17 HA GLU 17 -2.983 -0.367 -8.828 97 HB3 GLU 17 2HB GLU 17 -3.503 1.310 -10.693 98 HG3 GLU 17 2HG GLU 17 -0.881 2.432 -9.742 99 H LEU 18 H LEU 18 -1.975 2.703 -7.474 100 HA LEU 18 HA LEU 18 0.768 2.273 -7.266 101 HB3 LEU 18 2HB LEU 18 -1.046 3.737 -5.354 102 HG LEU 18 HG LEU 18 1.917 3.695 -5.565 103 HD11 LEU 18 1HD1 LEU 18 0.487 6.077 -6.013 104 HD12 LEU 18 2HD1 LEU 18 2.212 5.886 -5.695 105 HD13 LEU 18 3HD1 LEU 18 1.093 6.150 -4.358 106 HD21 LEU 18 3HD2 LEU 18 0.122 3.013 -3.638 107 HD22 LEU 18 1HD2 LEU 18 0.549 4.655 -3.156 108 HD23 LEU 18 2HD2 LEU 18 1.809 3.434 -3.340 109 H VAL 19 H VAL 19 -1.778 1.563 -4.878 110 HA VAL 19 HA VAL 19 -0.086 0.372 -2.972 111 HB VAL 19 HB VAL 19 -3.028 0.339 -3.466 112 HG11 VAL 19 1HG1 VAL 19 -3.269 -1.151 -1.450 113 HG12 VAL 19 2HG1 VAL 19 -2.711 -1.950 -2.920 114 HG13 VAL 19 3HG1 VAL 19 -1.563 -1.555 -1.640 115 HG21 VAL 19 3HG2 VAL 19 -2.799 2.032 -2.033 116 HG22 VAL 19 1HG2 VAL 19 -2.470 0.822 -0.794 117 HG23 VAL 19 2HG2 VAL 19 -1.135 1.585 -1.658 118 H ARG 20 H ARG 20 -2.264 -1.161 -5.348 119 HA ARG 20 HA ARG 20 -1.567 -3.802 -4.844 120 HB3 ARG 20 2HB ARG 20 -2.112 -3.927 -7.477 121 HG3 ARG 20 2HG ARG 20 -3.956 -3.563 -5.159 122 HD3 ARG 20 2HD ARG 20 -4.733 -2.770 -7.660 123 HE ARG 20 HE ARG 20 -6.063 -5.337 -7.540 124 HH11 ARG 20 1HH1 ARG 20 -3.548 -3.419 -8.995 125 HH12 ARG 20 2HH1 ARG 20 -3.438 -4.405 -10.415 126 HH21 ARG 20 1HH2 ARG 20 -5.928 -6.642 -9.406 127 HH22 ARG 20 2HH2 ARG 20 -4.793 -6.238 -10.649 128 H HIS 21 H HIS 21 -0.031 -1.418 -6.942 129 HA HIS 21 HA HIS 21 1.771 -3.140 -8.237 130 HB3 HIS 21 2HB HIS 21 2.261 -0.237 -7.549 131 HD1 HIS 21 1HD HIS 21 3.032 -3.008 -10.020 132 HD2 HIS 21 2HD HIS 21 4.415 0.746 -8.898 133 HE1 HIS 21 1HE HIS 21 5.164 -2.664 -11.309 134 H LEU 22 H LEU 22 2.387 -0.944 -5.489 135 HA LEU 22 HA LEU 22 4.965 -1.805 -4.919 136 HB3 LEU 22 2HB LEU 22 4.594 -0.895 -2.665 137 HG LEU 22 HG LEU 22 3.376 0.834 -4.815 138 HD11 LEU 22 1HD1 LEU 22 3.662 2.696 -3.352 139 HD12 LEU 22 2HD1 LEU 22 4.426 1.686 -2.125 140 HD13 LEU 22 3HD1 LEU 22 2.715 1.479 -2.496 141 HD21 LEU 22 3HD2 LEU 22 6.113 1.069 -3.613 142 HD22 LEU 22 1HD2 LEU 22 5.503 1.739 -5.127 143 HD23 LEU 22 2HD2 LEU 22 5.799 0.005 -4.986 144 H VAL 23 H VAL 23 1.864 -3.032 -3.735 145 HA VAL 23 HA VAL 23 2.870 -4.883 -1.881 146 HB VAL 23 HB VAL 23 0.315 -4.995 -3.490 147 HG11 VAL 23 1HG1 VAL 23 0.546 -6.365 -0.878 148 HG12 VAL 23 2HG1 VAL 23 -0.372 -6.810 -2.319 149 HG13 VAL 23 3HG1 VAL 23 1.363 -7.119 -2.247 150 HG21 VAL 23 3HG2 VAL 23 -0.715 -3.795 -1.822 151 HG22 VAL 23 1HG2 VAL 23 0.469 -4.269 -0.602 152 HG23 VAL 23 2HG2 VAL 23 0.887 -3.057 -1.813 153 H ALA 24 H ALA 24 2.056 -5.243 -5.316 154 HA ALA 24 HA ALA 24 2.590 -7.998 -5.508 155 HB1 ALA 24 1HB ALA 24 2.945 -7.414 -7.987 156 HB2 ALA 24 2HB ALA 24 1.362 -7.106 -7.274 157 HB3 ALA 24 3HB ALA 24 2.493 -5.776 -7.516 158 H GLU 25 H GLU 25 4.642 -5.179 -6.225 159 HA GLU 25 HA GLU 25 6.909 -6.577 -7.060 160 HB3 GLU 25 2HB GLU 25 8.151 -4.537 -6.613 161 HG3 GLU 25 2HG GLU 25 5.404 -4.185 -7.727 162 H ARG 26 H ARG 26 5.626 -6.020 -3.889 163 HA ARG 26 HA ARG 26 8.056 -6.656 -2.490 164 HB3 ARG 26 2HB ARG 26 6.350 -6.870 -0.531 165 HG3 ARG 26 2HG ARG 26 5.898 -4.201 -0.970 166 HD3 ARG 26 2HD ARG 26 7.226 -5.674 0.830 167 HE ARG 26 HE ARG 26 9.410 -5.825 0.187 168 HH11 ARG 26 1HH1 ARG 26 8.204 -2.680 -0.688 169 HH12 ARG 26 2HH1 ARG 26 9.747 -2.089 -1.210 170 HH21 ARG 26 1HH2 ARG 26 11.448 -5.060 -0.495 171 HH22 ARG 26 2HH2 ARG 26 11.591 -3.444 -1.100 172 H ALA 27 H ALA 27 5.544 -8.434 -3.964 173 HA ALA 27 HA ALA 27 6.153 -10.841 -2.402 174 HB1 ALA 27 1HB ALA 27 4.190 -11.626 -4.084 175 HB2 ALA 27 2HB ALA 27 3.905 -10.918 -2.493 176 HB3 ALA 27 3HB ALA 27 3.823 -9.908 -3.936 177 H GLU 28 H GLU 28 7.472 -9.364 -4.925 178 HA GLU 28 HA GLU 28 8.815 -10.013 -6.643 179 HB3 GLU 28 2HB GLU 28 8.538 -12.868 -5.755 180 HG3 GLU 28 2HG GLU 28 10.051 -11.921 -7.707 181 H LEU 29 H LEU 29 6.627 -9.463 -7.717 182 HA LEU 29 HA LEU 29 6.049 -11.632 -9.583 183 HB3 LEU 29 2HB LEU 29 3.571 -10.899 -9.403 184 HG LEU 29 HG LEU 29 4.795 -12.566 -7.208 185 HD11 LEU 29 1HD1 LEU 29 2.815 -12.414 -6.200 186 HD12 LEU 29 2HD1 LEU 29 2.179 -13.363 -7.543 187 HD13 LEU 29 3HD1 LEU 29 2.081 -11.603 -7.584 188 HD21 LEU 29 3HD2 LEU 29 4.725 -13.106 -9.849 189 HD22 LEU 29 1HD2 LEU 29 3.162 -13.754 -9.350 190 HD23 LEU 29 2HD2 LEU 29 4.642 -14.339 -8.589 191 HA PRO 30 HA PRO 30 6.024 -8.476 -12.631 192 HB3 PRO 30 2HB PRO 30 5.698 -10.124 -14.198 193 HG3 PRO 30 2HG PRO 30 4.309 -11.938 -13.758 194 HD3 PRO 30 2HD PRO 30 5.617 -11.971 -11.860 195 H VAL 31 H VAL 31 3.576 -8.760 -10.454 196 HA VAL 31 HA VAL 31 2.052 -7.224 -9.702 197 HB VAL 31 HB VAL 31 2.774 -5.619 -12.158 198 HG11 VAL 31 1HG1 VAL 31 0.536 -5.158 -11.093 199 HG12 VAL 31 2HG1 VAL 31 1.419 -4.657 -9.649 200 HG13 VAL 31 3HG1 VAL 31 1.642 -3.787 -11.167 201 HG21 VAL 31 3HG2 VAL 31 3.648 -4.735 -9.491 202 HG22 VAL 31 1HG2 VAL 31 4.439 -6.187 -10.107 203 HG23 VAL 31 2HG2 VAL 31 4.495 -4.690 -11.037 204 H GLU 32 H GLU 32 1.996 -7.827 -13.194 205 HA GLU 32 HA GLU 32 -0.720 -7.373 -13.644 206 HB3 GLU 32 2HB GLU 32 1.033 -7.718 -15.400 207 HG3 GLU 32 2HG GLU 32 1.435 -10.175 -14.170 208 H VAL 33 H VAL 33 0.834 -9.889 -11.934 209 HA VAL 33 HA VAL 33 -1.414 -11.728 -12.186 210 HB VAL 33 HB VAL 33 -0.109 -13.325 -11.001 211 HG11 VAL 33 1HG1 VAL 33 0.952 -13.631 -12.931 212 HG12 VAL 33 2HG1 VAL 33 0.992 -11.896 -13.258 213 HG13 VAL 33 3HG1 VAL 33 2.262 -12.643 -12.287 214 HG21 VAL 33 3HG2 VAL 33 1.222 -10.945 -9.942 215 HG22 VAL 33 1HG2 VAL 33 1.001 -12.539 -9.219 216 HG23 VAL 33 2HG2 VAL 33 2.325 -12.260 -10.351 217 H LEU 34 H LEU 34 -0.519 -9.132 -10.256 218 HA LEU 34 HA LEU 34 -1.448 -9.993 -7.722 219 HB3 LEU 34 2HB LEU 34 -1.607 -7.138 -8.567 220 HG LEU 34 HG LEU 34 -0.482 -6.687 -6.428 221 HD11 LEU 34 1HD1 LEU 34 -2.364 -7.076 -5.032 222 HD12 LEU 34 2HD1 LEU 34 -2.893 -8.440 -6.016 223 HD13 LEU 34 3HD1 LEU 34 -2.976 -6.802 -6.664 224 HD21 LEU 34 3HD2 LEU 34 0.311 -8.274 -5.029 225 HD22 LEU 34 1HD2 LEU 34 0.434 -9.206 -6.521 226 HD23 LEU 34 2HD2 LEU 34 -0.950 -9.434 -5.451 227 H ARG 35 H ARG 35 -3.455 -10.406 -7.100 228 HA ARG 35 HA ARG 35 -5.684 -9.520 -8.755 229 HB3 ARG 35 2HB ARG 35 -6.414 -11.059 -6.407 230 HG3 ARG 35 2HG ARG 35 -7.202 -10.871 -9.082 231 HD3 ARG 35 2HD ARG 35 -7.324 -13.549 -9.261 232 HE ARG 35 HE ARG 35 -5.647 -11.611 -10.550 233 HH11 ARG 35 1HH1 ARG 35 -6.445 -14.991 -10.324 234 HH12 ARG 35 2HH1 ARG 35 -5.884 -15.364 -11.921 235 HH21 ARG 35 1HH2 ARG 35 -4.904 -12.088 -12.653 236 HH22 ARG 35 2HH2 ARG 35 -5.007 -13.712 -13.244 237 H ASP 36 H ASP 36 -7.587 -8.559 -7.812 238 HA ASP 36 HA ASP 36 -6.933 -6.452 -5.986 239 HB3 ASP 36 2HB ASP 36 -9.167 -5.656 -6.364 240 H ASP 37 H ASP 37 -8.018 -9.641 -5.624 241 HA ASP 37 HA ASP 37 -9.055 -9.072 -2.927 242 HB3 ASP 37 2HB ASP 37 -10.201 -11.227 -3.048 243 H SER 38 H SER 38 -6.216 -9.476 -3.987 244 HA SER 38 HA SER 38 -5.340 -11.927 -2.762 245 HB3 SER 38 2HB SER 38 -3.218 -11.422 -3.588 246 HG SER 38 HG SER 38 -4.080 -11.430 -5.510 247 H ARG 39 H ARG 39 -5.389 -12.112 -0.619 248 HA ARG 39 HA ARG 39 -5.315 -9.941 1.186 249 HB3 ARG 39 2HB ARG 39 -5.252 -11.596 2.930 250 HG3 ARG 39 2HG ARG 39 -6.734 -13.278 1.047 251 HD3 ARG 39 2HD ARG 39 -6.812 -12.764 3.720 252 HE ARG 39 HE ARG 39 -8.229 -10.637 2.784 253 HH11 ARG 39 1HH1 ARG 39 -9.029 -13.490 4.613 254 HH12 ARG 39 2HH1 ARG 39 -10.326 -12.731 5.476 255 HH21 ARG 39 1HH2 ARG 39 -9.934 -9.627 3.913 256 HH22 ARG 39 2HH2 ARG 39 -10.840 -10.534 5.077 257 H PHE 40 H PHE 40 -3.691 -9.483 2.799 258 HA PHE 40 HA PHE 40 -1.037 -9.481 1.658 259 HB3 PHE 40 2HB PHE 40 -0.452 -8.000 3.489 260 HD1 PHE 40 1HD PHE 40 -0.696 -6.967 1.112 261 HD2 PHE 40 2HD PHE 40 -3.778 -6.987 4.047 262 HE1 PHE 40 1HE PHE 40 -1.791 -5.082 -0.030 263 HE2 PHE 40 2HE PHE 40 -4.879 -5.104 2.910 264 HZ PHE 40 HZ PHE 40 -3.887 -4.149 0.868 265 H LEU 41 H LEU 41 -2.313 -11.997 2.678 266 HA LEU 41 HA LEU 41 0.017 -12.998 4.053 267 HB3 LEU 41 2HB LEU 41 -1.699 -14.081 5.764 268 HG LEU 41 HG LEU 41 -0.646 -11.279 6.153 269 HD11 LEU 41 1HD1 LEU 41 -0.773 -12.233 8.616 270 HD12 LEU 41 2HD1 LEU 41 -2.099 -13.165 7.924 271 HD13 LEU 41 3HD1 LEU 41 -2.137 -11.404 7.868 272 HD21 LEU 41 3HD2 LEU 41 1.342 -12.162 6.704 273 HD22 LEU 41 1HD2 LEU 41 0.800 -13.547 5.755 274 HD23 LEU 41 2HD2 LEU 41 0.615 -13.553 7.510 275 H ASP 42 H ASP 42 -3.249 -13.594 2.859 276 HA ASP 42 HA ASP 42 -3.049 -16.410 2.722 277 HB3 ASP 42 2HB ASP 42 -4.748 -14.901 0.781 278 H ASP 43 H ASP 43 -2.829 -13.972 0.126 279 HA ASP 43 HA ASP 43 -1.424 -15.951 -1.525 280 HB3 ASP 43 2HB ASP 43 -1.882 -13.666 -3.071 281 H LEU 44 H LEU 44 -1.243 -12.472 -0.753 282 HA LEU 44 HA LEU 44 1.340 -12.082 -1.784 283 HB3 LEU 44 2HB LEU 44 1.326 -9.984 -0.659 284 HG LEU 44 HG LEU 44 -1.477 -10.706 -1.486 285 HD11 LEU 44 1HD1 LEU 44 -1.673 -8.119 -1.560 286 HD12 LEU 44 2HD1 LEU 44 -0.395 -8.165 -0.345 287 HD13 LEU 44 3HD1 LEU 44 -1.934 -8.968 -0.037 288 HD21 LEU 44 3HD2 LEU 44 0.319 -10.629 -3.207 289 HD22 LEU 44 1HD2 LEU 44 0.587 -8.936 -2.788 290 HD23 LEU 44 2HD2 LEU 44 -0.964 -9.443 -3.458 291 H HIS 45 H HIS 45 0.219 -13.377 1.229 292 HA HIS 45 HA HIS 45 1.286 -14.110 3.111 293 HB3 HIS 45 2HB HIS 45 3.637 -14.679 1.316 294 HD1 HIS 45 1HD HIS 45 2.292 -17.713 2.478 295 HD2 HIS 45 2HD HIS 45 4.520 -14.692 4.259 296 HE1 HIS 45 1HE HIS 45 3.338 -18.759 4.512 297 H MET 46 H MET 46 1.373 -11.694 3.614 298 HA MET 46 HA MET 46 4.181 -10.959 4.101 299 HB3 MET 46 2HB MET 46 3.758 -8.681 3.623 300 HG3 MET 46 2HG MET 46 2.070 -9.200 1.430 301 HE1 MET 46 3HE MET 46 2.451 -7.620 0.124 302 HE2 MET 46 1HE MET 46 3.934 -6.744 -0.254 303 HE3 MET 46 2HE MET 46 3.540 -8.226 -1.124 304 H SER 47 H SER 47 4.446 -11.311 6.216 305 HA SER 47 HA SER 47 2.478 -11.310 8.178 306 HB3 SER 47 2HB SER 47 5.304 -11.629 8.074 307 HG SER 47 HG SER 47 5.654 -10.661 10.242 308 H SER 48 H SER 48 2.268 -9.817 10.033 309 HA SER 48 HA SER 48 1.393 -7.323 9.325 310 HB3 SER 48 2HB SER 48 1.022 -8.502 11.531 311 HG SER 48 HG SER 48 2.545 -8.395 13.062 312 H ILE 49 H ILE 49 4.654 -8.315 10.115 313 HA ILE 49 HA ILE 49 5.706 -5.656 10.301 314 HB ILE 49 HB ILE 49 7.270 -8.182 9.783 315 HG13 ILE 49 2HG1 ILE 49 7.454 -8.483 12.167 316 HG21 ILE 49 1HG2 ILE 49 8.030 -5.569 11.082 317 HG22 ILE 49 2HG2 ILE 49 9.082 -6.969 10.889 318 HG23 ILE 49 3HG2 ILE 49 8.502 -6.101 9.469 319 HD11 ILE 49 3HD1 ILE 49 6.168 -5.824 12.310 320 HD12 ILE 49 1HD1 ILE 49 5.728 -7.011 13.537 321 HD13 ILE 49 2HD1 ILE 49 7.416 -6.542 13.328 322 H THR 50 H THR 50 5.762 -8.202 7.827 323 HA THR 50 HA THR 50 7.321 -6.841 5.937 324 HB THR 50 HB THR 50 5.148 -8.886 5.441 325 HG1 THR 50 1HG THR 50 7.130 -10.246 5.280 326 HG21 THR 50 3HG2 THR 50 6.011 -7.432 3.485 327 HG22 THR 50 1HG2 THR 50 5.990 -9.183 3.285 328 HG23 THR 50 2HG2 THR 50 7.502 -8.356 3.659 329 H VAL 51 H VAL 51 3.858 -6.784 6.577 330 HA VAL 51 HA VAL 51 3.065 -5.364 4.276 331 HB VAL 51 HB VAL 51 1.698 -5.121 6.945 332 HG11 VAL 51 1HG1 VAL 51 0.926 -4.804 4.084 333 HG12 VAL 51 2HG1 VAL 51 -0.293 -5.321 5.250 334 HG13 VAL 51 3HG1 VAL 51 0.547 -3.785 5.473 335 HG21 VAL 51 3HG2 VAL 51 0.650 -7.258 5.331 336 HG22 VAL 51 1HG2 VAL 51 2.353 -7.539 5.696 337 HG23 VAL 51 2HG2 VAL 51 1.201 -7.288 7.007 338 H GLY 52 H GLY 52 3.807 -4.226 7.571 339 HA2 GLY 52 2HA GLY 52 3.367 -1.506 7.143 340 HA3 GLY 52 3HA GLY 52 4.466 -2.168 8.344 341 H GLN 53 H GLN 53 6.067 -3.503 6.219 342 HA GLN 53 HA GLN 53 7.953 -1.430 5.822 343 HB3 GLN 53 2HB GLN 53 9.255 -3.061 4.623 344 HG3 GLN 53 2HG GLN 53 8.388 -5.186 6.203 345 HE21 GLN 53 1HE2 GLN 53 9.601 -3.978 8.658 346 HE22 GLN 53 2HE2 GLN 53 11.292 -3.899 8.317 347 H LEU 54 H LEU 54 5.685 -3.062 3.635 348 HA LEU 54 HA LEU 54 6.451 -1.417 1.395 349 HB3 LEU 54 2HB LEU 54 5.506 -3.862 1.456 350 HG LEU 54 HG LEU 54 3.217 -2.865 2.368 351 HD11 LEU 54 1HD1 LEU 54 3.150 -1.420 0.224 352 HD12 LEU 54 2HD1 LEU 54 1.679 -2.234 0.758 353 HD13 LEU 54 3HD1 LEU 54 2.630 -2.910 -0.564 354 HD21 LEU 54 3HD2 LEU 54 2.434 -4.816 0.466 355 HD22 LEU 54 1HD2 LEU 54 2.745 -5.023 2.190 356 HD23 LEU 54 2HD2 LEU 54 4.056 -5.226 1.029 357 H VAL 55 H VAL 55 3.920 -1.469 3.809 358 HA VAL 55 HA VAL 55 2.079 0.264 2.627 359 HB VAL 55 HB VAL 55 2.749 -0.327 5.494 360 HG11 VAL 55 1HG1 VAL 55 1.107 1.887 4.425 361 HG12 VAL 55 2HG1 VAL 55 0.424 0.966 5.766 362 HG13 VAL 55 3HG1 VAL 55 1.988 1.759 5.946 363 HG21 VAL 55 3HG2 VAL 55 0.532 -1.355 5.476 364 HG22 VAL 55 1HG2 VAL 55 0.303 -0.844 3.804 365 HG23 VAL 55 2HG2 VAL 55 1.552 -2.025 4.203 366 H ASN 56 H ASN 56 5.090 0.908 4.295 367 HA ASN 56 HA ASN 56 4.708 3.682 4.700 368 HB3 ASN 56 2HB ASN 56 7.457 3.284 4.396 369 HD21 ASN 56 1HD2 ASN 56 6.849 1.600 7.129 370 HD22 ASN 56 2HD2 ASN 56 6.678 2.904 8.249 371 H GLU 57 H GLU 57 5.882 1.786 1.997 372 HA GLU 57 HA GLU 57 6.942 3.976 0.517 373 HB3 GLU 57 2HB GLU 57 5.944 1.413 -0.702 374 HG3 GLU 57 2HG GLU 57 6.871 3.101 -2.225 375 H ALA 58 H ALA 58 3.802 2.417 0.705 376 HA ALA 58 HA ALA 58 2.662 3.679 -1.567 377 HB1 ALA 58 1HB ALA 58 1.787 1.900 0.539 378 HB2 ALA 58 2HB ALA 58 0.564 3.115 0.160 379 HB3 ALA 58 3HB ALA 58 1.194 2.071 -1.113 380 H ALA 59 H ALA 59 2.360 4.353 1.921 381 HA ALA 59 HA ALA 59 0.738 6.597 1.758 382 HB1 ALA 59 1HB ALA 59 2.322 5.307 3.761 383 HB2 ALA 59 2HB ALA 59 2.525 7.054 3.883 384 HB3 ALA 59 3HB ALA 59 0.912 6.348 3.955 385 H ARG 60 H ARG 60 4.286 6.406 1.702 386 HA ARG 60 HA ARG 60 4.820 9.143 1.608 387 HB3 ARG 60 2HB ARG 60 6.549 7.303 0.034 388 HG3 ARG 60 2HG ARG 60 6.914 9.778 1.204 389 HD3 ARG 60 2HD ARG 60 7.224 8.076 3.290 390 HE ARG 60 HE ARG 60 9.508 7.541 1.861 391 HH11 ARG 60 1HH1 ARG 60 8.754 8.894 4.979 392 HH12 ARG 60 2HH1 ARG 60 10.217 8.336 5.720 393 HH21 ARG 60 1HH2 ARG 60 11.438 6.800 2.826 394 HH22 ARG 60 2HH2 ARG 60 11.743 7.145 4.494 395 H ALA 61 H ALA 61 3.998 6.874 -0.951 396 HA ALA 61 HA ALA 61 4.542 8.625 -3.120 397 HB1 ALA 61 1HB ALA 61 3.317 7.027 -4.479 398 HB2 ALA 61 2HB ALA 61 4.415 6.190 -3.380 399 HB3 ALA 61 3HB ALA 61 2.688 6.247 -3.027 400 H MET 62 H MET 62 1.602 7.841 -1.301 401 HA MET 62 HA MET 62 -0.110 9.481 -2.879 402 HB3 MET 62 2HB MET 62 -1.764 9.106 -1.125 403 HG3 MET 62 2HG MET 62 -1.883 6.718 -1.072 404 HE1 MET 62 3HE MET 62 -3.586 7.860 -2.552 405 HE2 MET 62 1HE MET 62 -2.702 9.185 -3.310 406 HE3 MET 62 2HE MET 62 -3.497 7.971 -4.311 407 H GLY 63 H GLY 63 2.251 10.198 -0.586 408 HA2 GLY 63 2HA GLY 63 2.928 12.423 -0.122 409 HA3 GLY 63 3HA GLY 63 1.287 12.962 -0.444 410 H LEU 64 H LEU 64 1.410 10.189 1.496 411 HA LEU 64 HA LEU 64 0.400 11.642 3.760 412 HB3 LEU 64 2HB LEU 64 0.072 9.489 4.776 413 HG LEU 64 HG LEU 64 -0.497 8.823 1.913 414 HD11 LEU 64 1HD1 LEU 64 -2.382 8.551 4.203 415 HD12 LEU 64 2HD1 LEU 64 -1.039 7.417 4.056 416 HD13 LEU 64 3HD1 LEU 64 -2.216 7.563 2.751 417 HD21 LEU 64 3HD2 LEU 64 -2.534 10.196 2.061 418 HD22 LEU 64 1HD2 LEU 64 -1.065 11.171 2.108 419 HD23 LEU 64 2HD2 LEU 64 -1.962 10.856 3.594 420 H SER 65 H SER 65 1.370 10.288 5.931 421 HA SER 65 HA SER 65 4.239 10.274 5.974 422 HB3 SER 65 2HB SER 65 4.018 12.656 6.063 423 HG SER 65 HG SER 65 2.538 13.677 7.268 424 H ALA 66 H ALA 66 1.872 11.162 8.471 425 HA ALA 66 HA ALA 66 2.868 9.080 10.205 426 HB1 ALA 66 1HB ALA 66 0.952 10.001 11.691 427 HB2 ALA 66 2HB ALA 66 2.376 11.000 11.396 428 HB3 ALA 66 3HB ALA 66 0.888 11.299 10.500 429 H VAL 67 H VAL 67 0.522 9.276 7.800 430 HA VAL 67 HA VAL 67 -1.540 7.667 8.830 431 HB VAL 67 HB VAL 67 -0.646 7.878 5.951 432 HG11 VAL 67 1HG1 VAL 67 -2.773 6.427 7.264 433 HG12 VAL 67 2HG1 VAL 67 -3.407 7.573 6.080 434 HG13 VAL 67 3HG1 VAL 67 -2.229 6.356 5.588 435 HG21 VAL 67 3HG2 VAL 67 -1.086 10.075 6.457 436 HG22 VAL 67 1HG2 VAL 67 -2.695 9.520 5.995 437 HG23 VAL 67 2HG2 VAL 67 -2.269 9.667 7.700 438 H ALA 68 H ALA 68 1.655 6.895 8.044 439 HA ALA 68 HA ALA 68 1.840 4.494 6.916 440 HB1 ALA 68 1HB ALA 68 3.121 4.679 9.598 441 HB2 ALA 68 2HB ALA 68 3.792 4.135 8.061 442 HB3 ALA 68 3HB ALA 68 3.560 5.857 8.362 443 H MET 69 H MET 69 0.423 2.868 6.966 444 HA MET 69 HA MET 69 -0.787 1.099 7.731 445 HB3 MET 69 2HB MET 69 -0.136 0.012 9.705 446 HG3 MET 69 2HG MET 69 2.380 1.552 9.481 447 HE1 MET 69 3HE MET 69 0.569 -1.480 8.465 448 HE2 MET 69 1HE MET 69 1.889 -2.646 8.362 449 HE3 MET 69 2HE MET 69 0.869 -2.594 9.800 450 HA PRO 70 HA PRO 70 -3.906 4.025 9.415 451 HB3 PRO 70 2HB PRO 70 -4.693 4.406 7.290 452 HG3 PRO 70 2HG PRO 70 -4.373 2.847 5.596 453 HD3 PRO 70 2HD PRO 70 -2.219 3.006 6.400 454 H THR 71 H THR 71 -3.855 0.578 8.907 455 HA THR 71 HA THR 71 -5.009 -0.004 11.406 456 HB THR 71 HB THR 71 -7.089 0.750 10.285 457 HG1 THR 71 1HG THR 71 -7.648 -0.694 11.771 458 HG21 THR 71 3HG2 THR 71 -6.111 -0.493 8.064 459 HG22 THR 71 1HG2 THR 71 -7.791 -0.008 8.284 460 HG23 THR 71 2HG2 THR 71 -7.299 -1.666 8.631 461 H ASN 72 H ASN 72 -5.657 -2.419 11.511 462 HA ASN 72 HA ASN 72 -3.494 -3.992 10.878 463 HB3 ASN 72 2HB ASN 72 -6.175 -5.300 10.895 464 HD21 ASN 72 1HD2 ASN 72 -5.601 -7.342 10.773 465 HD22 ASN 72 2HD2 ASN 72 -4.319 -8.093 11.655 466 H PHE 73 H PHE 73 -2.899 -5.322 9.216 467 HA PHE 73 HA PHE 73 -4.546 -5.191 6.776 468 HB3 PHE 73 2HB PHE 73 -2.251 -5.488 5.605 469 HD1 PHE 73 2HD PHE 73 -4.328 -3.919 4.837 470 HD2 PHE 73 1HD PHE 73 -1.039 -2.734 7.263 471 HE1 PHE 73 2HE PHE 73 -4.686 -1.577 4.171 472 HE2 PHE 73 1HE PHE 73 -1.392 -0.389 6.602 473 HZ PHE 73 HZ PHE 73 -3.217 0.191 5.053 474 H ALA 74 H ALA 74 -2.927 -7.153 9.049 475 HA ALA 74 HA ALA 74 -2.291 -9.437 7.612 476 HB1 ALA 74 1HB ALA 74 -3.473 -9.473 10.379 477 HB2 ALA 74 2HB ALA 74 -2.331 -10.614 9.668 478 HB3 ALA 74 3HB ALA 74 -1.816 -8.969 10.043 479 H THR 75 H THR 75 -5.372 -8.104 8.308 480 HA THR 75 HA THR 75 -6.665 -10.553 7.297 481 HB THR 75 HB THR 75 -7.285 -10.218 9.628 482 HG1 THR 75 1HG THR 75 -8.949 -11.019 8.377 483 HG21 THR 75 3HG2 THR 75 -7.059 -7.544 9.125 484 HG22 THR 75 1HG2 THR 75 -7.823 -8.238 10.554 485 HG23 THR 75 2HG2 THR 75 -8.810 -7.751 9.176 486 H ALA 76 H ALA 76 -5.701 -7.744 6.235 487 HA ALA 76 HA ALA 76 -8.209 -7.027 4.872 488 HB1 ALA 76 1HB ALA 76 -7.376 -4.854 4.565 489 HB2 ALA 76 2HB ALA 76 -6.916 -5.287 6.213 490 HB3 ALA 76 3HB ALA 76 -5.720 -5.347 4.917 491 H THR 77 H THR 77 -7.817 -6.126 2.596 492 HA THR 77 HA THR 77 -5.902 -7.870 1.187 493 HB THR 77 HB THR 77 -7.562 -7.705 -0.756 494 HG1 THR 77 1HG THR 77 -9.029 -6.214 -0.147 495 HG21 THR 77 3HG2 THR 77 -7.404 -9.464 1.456 496 HG22 THR 77 1HG2 THR 77 -7.988 -9.811 -0.171 497 HG23 THR 77 2HG2 THR 77 -9.112 -9.258 1.070 498 H VAL 78 H VAL 78 -5.510 -7.033 -1.126 499 HA VAL 78 HA VAL 78 -4.159 -4.622 -1.029 500 HB VAL 78 HB VAL 78 -3.996 -4.708 -3.431 501 HG11 VAL 78 1HG1 VAL 78 -3.878 -7.530 -3.322 502 HG12 VAL 78 2HG1 VAL 78 -2.557 -6.373 -3.146 503 HG13 VAL 78 3HG1 VAL 78 -3.446 -6.923 -1.724 504 HG21 VAL 78 3HG2 VAL 78 -6.295 -5.076 -4.031 505 HG22 VAL 78 1HG2 VAL 78 -5.315 -6.363 -4.734 506 HG23 VAL 78 2HG2 VAL 78 -6.276 -6.676 -3.289 507 H ARG 79 H ARG 79 -7.500 -5.269 -1.920 508 HA ARG 79 HA ARG 79 -8.085 -2.711 -2.976 509 HB3 ARG 79 2HB ARG 79 -9.993 -4.651 -1.660 510 HG3 ARG 79 2HG ARG 79 -10.721 -2.237 -2.355 511 HD3 ARG 79 2HD ARG 79 -9.683 -2.656 -4.679 512 HE ARG 79 HE ARG 79 -10.644 -4.430 -5.746 513 HH11 ARG 79 1HH1 ARG 79 -13.129 -2.632 -4.100 514 HH12 ARG 79 2HH1 ARG 79 -14.428 -3.560 -4.773 515 HH21 ARG 79 1HH2 ARG 79 -12.346 -5.659 -6.638 516 HH22 ARG 79 2HH2 ARG 79 -13.981 -5.283 -6.215 517 H GLU 80 H GLU 80 -8.265 -4.074 0.272 518 HA GLU 80 HA GLU 80 -9.609 -1.898 1.477 519 HB3 GLU 80 2HB GLU 80 -8.369 -2.884 3.584 520 HG3 GLU 80 2HG GLU 80 -10.111 -4.947 2.395 521 H MET 81 H MET 81 -6.157 -2.742 1.300 522 HA MET 81 HA MET 81 -5.232 -0.480 2.707 523 HB3 MET 81 2HB MET 81 -3.813 -2.185 0.653 524 HG3 MET 81 2HG MET 81 -2.500 -0.630 2.849 525 HE1 MET 81 3HE MET 81 -1.020 -2.320 3.514 526 HE2 MET 81 1HE MET 81 -1.451 -3.682 2.478 527 HE3 MET 81 2HE MET 81 0.223 -3.130 2.558 528 H ALA 82 H ALA 82 -5.705 -1.105 -0.744 529 HA ALA 82 HA ALA 82 -4.622 1.362 -1.636 530 HB1 ALA 82 1HB ALA 82 -5.200 0.695 -3.751 531 HB2 ALA 82 2HB ALA 82 -5.155 -0.863 -2.925 532 HB3 ALA 82 3HB ALA 82 -6.700 -0.067 -3.221 533 H GLU 83 H GLU 83 -7.938 0.264 -1.000 534 HA GLU 83 HA GLU 83 -9.258 2.591 -1.829 535 HB3 GLU 83 2HB GLU 83 -11.016 1.767 -0.087 536 HG3 GLU 83 2HG GLU 83 -11.365 -0.394 -1.536 537 H ALA 84 H ALA 84 -7.925 1.673 1.316 538 HA ALA 84 HA ALA 84 -8.881 3.861 2.789 539 HB1 ALA 84 1HB ALA 84 -8.019 2.548 4.362 540 HB2 ALA 84 2HB ALA 84 -7.017 1.693 3.189 541 HB3 ALA 84 3HB ALA 84 -6.434 3.185 3.926 542 H LEU 85 H LEU 85 -5.882 3.414 0.956 543 HA LEU 85 HA LEU 85 -4.779 5.943 1.660 544 HB3 LEU 85 2HB LEU 85 -3.455 5.375 -0.578 545 HG LEU 85 HG LEU 85 -3.093 4.243 2.142 546 HD11 LEU 85 1HD1 LEU 85 -2.654 2.370 0.529 547 HD12 LEU 85 2HD1 LEU 85 -1.278 2.847 1.522 548 HD13 LEU 85 3HD1 LEU 85 -1.369 3.361 -0.162 549 HD21 LEU 85 3HD2 LEU 85 -2.285 6.514 1.092 550 HD22 LEU 85 1HD2 LEU 85 -0.981 5.505 0.465 551 HD23 LEU 85 2HD2 LEU 85 -1.256 5.611 2.204 552 H GLU 86 H GLU 86 -6.535 4.731 -1.173 553 HA GLU 86 HA GLU 86 -6.387 7.076 -2.711 554 HB3 GLU 86 2HB GLU 86 -7.322 4.591 -3.171 555 HG3 GLU 86 2HG GLU 86 -9.450 5.288 -1.879 556 H ALA 87 H ALA 87 -8.539 6.103 -0.128 557 HA ALA 87 HA ALA 87 -10.523 8.081 -0.523 558 HB1 ALA 87 1HB ALA 87 -10.828 7.610 2.059 559 HB2 ALA 87 2HB ALA 87 -11.301 6.425 0.841 560 HB3 ALA 87 3HB ALA 87 -9.767 6.250 1.692 561 H ARG 88 H ARG 88 -7.509 8.022 1.302 562 HA ARG 88 HA ARG 88 -7.857 10.389 2.759 563 HB3 ARG 88 2HB ARG 88 -5.547 10.298 3.217 564 HG3 ARG 88 2HG ARG 88 -5.380 7.499 2.658 565 HD3 ARG 88 2HD ARG 88 -4.338 8.435 4.579 566 HE ARG 88 HE ARG 88 -5.415 10.197 5.548 567 HH11 ARG 88 1HH1 ARG 88 -7.693 7.600 5.112 568 HH12 ARG 88 2HH1 ARG 88 -8.972 8.406 5.959 569 HH21 ARG 88 1HH2 ARG 88 -7.091 11.268 6.665 570 HH22 ARG 88 2HH2 ARG 88 -8.629 10.493 6.841 571 H GLU 89 H GLU 89 -6.084 9.897 -0.299 572 HA GLU 89 HA GLU 89 -5.648 12.660 -0.748 573 HB3 GLU 89 2HB GLU 89 -5.257 11.799 -3.171 574 HG3 GLU 89 2HG GLU 89 -3.354 10.231 -1.742 575 H ARG 90 H ARG 90 -8.211 10.445 -1.626 576 HA ARG 90 HA ARG 90 -9.465 11.982 -3.609 577 HB3 ARG 90 2HB ARG 90 -10.582 9.970 -1.656 578 HG3 ARG 90 2HG ARG 90 -11.911 11.100 -4.110 579 HD3 ARG 90 2HD ARG 90 -12.534 8.782 -2.314 580 HE ARG 90 HE ARG 90 -14.689 9.575 -2.351 581 HH11 ARG 90 1HH1 ARG 90 -13.260 9.929 -5.505 582 HH12 ARG 90 2HH1 ARG 90 -14.751 10.355 -6.277 583 HH21 ARG 90 1HH2 ARG 90 -16.659 10.135 -3.355 584 HH22 ARG 90 2HH2 ARG 90 -16.684 10.474 -5.052 585 H GLU 91 H GLU 91 -9.556 12.157 -0.119 586 HA GLU 91 HA GLU 91 -11.393 14.453 -0.330 587 HB3 GLU 91 2HB GLU 91 -11.060 12.749 2.133 588 HG3 GLU 91 2HG GLU 91 -12.329 15.137 1.841 589 H ALA 92 H ALA 92 -8.468 14.415 -0.527 590 HA ALA 92 HA ALA 92 -7.375 15.386 1.926 591 HB1 ALA 92 1HB ALA 92 -6.386 14.626 -0.616 592 HB2 ALA 92 2HB ALA 92 -5.822 16.265 -0.289 593 HB3 ALA 92 3HB ALA 92 -5.478 14.969 0.857 594 HA PRO 93 HA PRO 93 -8.361 19.659 1.815 595 HB3 PRO 93 2HB PRO 93 -7.118 19.900 3.732 596 HG3 PRO 93 2HG PRO 93 -5.134 18.724 4.030 597 HD3 PRO 93 2HD PRO 93 -6.527 16.998 3.403 598 H HIS 94 H HIS 94 -7.942 21.701 0.778 599 HA HIS 94 HA HIS 94 -7.456 22.999 -1.025 600 HB3 HIS 94 2HB HIS 94 -5.178 23.091 -1.760 601 HD1 HIS 94 1HD HIS 94 -3.487 21.462 0.832 602 HD2 HIS 94 2HD HIS 94 -6.069 24.715 0.718 603 HE1 HIS 94 1HE HIS 94 -3.048 22.744 2.950 604 H LEU 95 H LEU 95 -9.207 21.696 -2.046 605 HA LEU 95 HA LEU 95 -8.234 19.902 -4.153 606 HB3 LEU 95 2HB LEU 95 -10.485 19.121 -4.365 607 HG LEU 95 HG LEU 95 -9.292 19.090 -1.710 608 HD11 LEU 95 1HD1 LEU 95 -11.122 19.590 -0.531 609 HD12 LEU 95 2HD1 LEU 95 -11.728 18.020 -1.060 610 HD13 LEU 95 3HD1 LEU 95 -12.174 19.480 -1.942 611 HD21 LEU 95 3HD2 LEU 95 -10.937 16.837 -2.512 612 HD22 LEU 95 1HD2 LEU 95 -9.208 16.912 -2.174 613 HD23 LEU 95 2HD2 LEU 95 -9.812 17.330 -3.777 614 H GLU 96 H GLU 96 -9.851 20.059 -6.164 615 HA GLU 96 HA GLU 96 -9.767 22.878 -7.011 616 HB3 GLU 96 2HB GLU 96 -10.052 20.902 -9.140 617 HG3 GLU 96 2HG GLU 96 -7.664 22.637 -8.849 618 H HIS 97 H HIS 97 -11.785 23.591 -6.484 619 HA HIS 97 HA HIS 97 -14.006 22.352 -7.951 620 HB3 HIS 97 2HB HIS 97 -14.326 21.567 -5.716 621 HD1 HIS 97 1HD HIS 97 -13.366 21.691 -3.455 622 HD2 HIS 97 2HD HIS 97 -14.108 25.471 -5.010 623 HE1 HIS 97 1HE HIS 97 -12.621 23.307 -1.678 624 H HIS 98 H HIS 98 -16.032 23.984 -7.480 625 HA HIS 98 HA HIS 98 -15.073 26.725 -7.913 626 HB3 HIS 98 2HB HIS 98 -17.384 25.770 -9.540 627 HD1 HIS 98 1HD HIS 98 -14.724 26.856 -11.637 628 HD2 HIS 98 2HD HIS 98 -17.465 28.773 -9.173 629 HE1 HIS 98 1HE HIS 98 -14.780 29.243 -12.423 630 H HIS 99 H HIS 99 -15.761 27.273 -5.832 631 HA HIS 99 HA HIS 99 -18.580 27.872 -5.635 632 HB3 HIS 99 2HB HIS 99 -18.129 26.778 -3.118 633 HD1 HIS 99 1HD HIS 99 -19.081 23.786 -4.355 634 HD2 HIS 99 2HD HIS 99 -20.831 27.537 -4.715 635 HE1 HIS 99 1HE HIS 99 -21.501 23.351 -4.881 636 H HIS 100 H HIS 100 -19.071 29.303 -3.835 637 HA HIS 100 HA HIS 100 -16.744 30.945 -3.141 638 HB3 HIS 100 2HB HIS 100 -19.555 31.809 -2.601 639 HD1 HIS 100 1HD HIS 100 -19.492 34.158 -1.843 640 HD2 HIS 100 2HD HIS 100 -16.114 33.157 -4.046 641 HE1 HIS 100 1HE HIS 100 -18.020 36.196 -1.780 642 H HIS 101 H HIS 101 -17.443 28.432 -1.772 643 HA HIS 101 HA HIS 101 -17.878 29.516 0.935 644 HB3 HIS 101 2HB HIS 101 -18.477 26.855 1.180 645 HD1 HIS 101 1HD HIS 101 -21.311 28.295 -0.585 646 HD2 HIS 101 2HD HIS 101 -19.664 28.594 3.218 647 HE1 HIS 101 1HE HIS 101 -23.114 29.300 0.851 648 H HIS 102 H HIS 102 -16.996 27.872 2.630 649 HA HIS 102 HA HIS 102 -15.132 27.030 3.630 650 HB3 HIS 102 2HB HIS 102 -13.995 25.232 2.488 651 HD1 HIS 102 1HD HIS 102 -16.019 24.441 4.167 652 HD2 HIS 102 2HD HIS 102 -16.859 24.603 0.101 653 HE1 HIS 102 1HE HIS 102 -18.075 23.028 3.848 Start of MODEL 9 1 H1 MET 1 H MET 1 -8.446 -11.199 -15.512 2 HA MET 1 HA MET 1 -8.405 -12.336 -17.525 3 HB3 MET 1 2HB MET 1 -10.730 -12.653 -18.685 4 HG3 MET 1 2HG MET 1 -9.608 -14.110 -16.371 5 HE1 MET 1 3HE MET 1 -10.203 -16.363 -15.792 6 HE2 MET 1 1HE MET 1 -11.223 -15.738 -14.496 7 HE3 MET 1 2HE MET 1 -11.834 -16.997 -15.568 8 H ALA 2 H ALA 2 -7.313 -10.513 -18.309 9 HA ALA 2 HA ALA 2 -8.600 -9.174 -20.459 10 HB1 ALA 2 1HB ALA 2 -8.831 -7.007 -19.703 11 HB2 ALA 2 2HB ALA 2 -9.343 -7.937 -18.295 12 HB3 ALA 2 3HB ALA 2 -7.721 -7.247 -18.353 13 H ARG 3 H ARG 3 -6.989 -7.030 -20.874 14 HA ARG 3 HA ARG 3 -4.225 -7.915 -20.557 15 HB3 ARG 3 2HB ARG 3 -4.670 -8.927 -22.633 16 HG3 ARG 3 2HG ARG 3 -6.224 -6.455 -23.301 17 HD3 ARG 3 2HD ARG 3 -4.474 -7.647 -25.072 18 HE ARG 3 HE ARG 3 -5.615 -9.501 -25.792 19 HH11 ARG 3 1HH1 ARG 3 -7.833 -6.841 -25.448 20 HH12 ARG 3 2HH1 ARG 3 -9.152 -7.672 -26.204 21 HH21 ARG 3 1HH2 ARG 3 -7.344 -10.606 -26.790 22 HH22 ARG 3 2HH2 ARG 3 -8.872 -9.814 -26.966 23 H ALA 4 H ALA 4 -5.973 -5.680 -19.622 24 HA ALA 4 HA ALA 4 -4.847 -3.344 -20.935 25 HB1 ALA 4 1HB ALA 4 -7.025 -2.881 -20.400 26 HB2 ALA 4 2HB ALA 4 -6.970 -3.808 -18.900 27 HB3 ALA 4 3HB ALA 4 -6.204 -2.221 -18.985 28 H ASP 5 H ASP 5 -4.350 -5.259 -18.085 29 HA ASP 5 HA ASP 5 -2.478 -3.268 -17.011 30 HB3 ASP 5 2HB ASP 5 -4.159 -4.082 -15.431 31 H ASP 6 H ASP 6 -2.192 -5.372 -19.269 32 HA ASP 6 HA ASP 6 -0.269 -7.259 -18.426 33 HB3 ASP 6 2HB ASP 6 -0.197 -6.239 -21.223 34 H THR 7 H THR 7 1.324 -6.269 -17.209 35 HA THR 7 HA THR 7 3.264 -5.160 -16.771 36 HB THR 7 HB THR 7 4.287 -4.737 -19.414 37 HG1 THR 7 1HG THR 7 3.947 -6.692 -20.347 38 HG21 THR 7 3HG2 THR 7 4.916 -6.687 -17.202 39 HG22 THR 7 1HG2 THR 7 5.726 -5.161 -17.554 40 HG23 THR 7 2HG2 THR 7 5.889 -6.522 -18.664 41 H ALA 8 H ALA 8 4.671 -3.181 -17.606 42 HA ALA 8 HA ALA 8 4.720 -0.900 -17.687 43 HB1 ALA 8 1HB ALA 8 4.080 -1.802 -20.116 44 HB2 ALA 8 2HB ALA 8 2.646 -0.824 -19.796 45 HB3 ALA 8 3HB ALA 8 4.247 -0.085 -19.748 46 H LEU 9 H LEU 9 2.855 1.032 -18.294 47 HA LEU 9 HA LEU 9 1.416 1.233 -15.873 48 HB3 LEU 9 2HB LEU 9 2.236 3.163 -17.159 49 HG LEU 9 HG LEU 9 1.019 2.121 -19.391 50 HD11 LEU 9 1HD1 LEU 9 -1.034 3.382 -18.041 51 HD12 LEU 9 2HD1 LEU 9 -1.002 2.978 -19.757 52 HD13 LEU 9 3HD1 LEU 9 -0.504 4.582 -19.220 53 HD21 LEU 9 3HD2 LEU 9 2.906 3.791 -19.122 54 HD22 LEU 9 1HD2 LEU 9 1.661 5.038 -19.035 55 HD23 LEU 9 2HD2 LEU 9 1.820 4.050 -20.488 56 HA PRO 10 HA PRO 10 -2.114 -1.214 -17.034 57 HB3 PRO 10 2HB PRO 10 -2.173 -1.885 -14.838 58 HG3 PRO 10 2HG PRO 10 -1.446 -0.480 -13.134 59 HD3 PRO 10 2HD PRO 10 0.355 -0.333 -14.565 60 H ALA 11 H ALA 11 -2.653 1.937 -15.445 61 HA ALA 11 HA ALA 11 -4.040 3.100 -17.571 62 HB1 ALA 11 1HB ALA 11 -6.195 2.542 -17.369 63 HB2 ALA 11 2HB ALA 11 -5.612 1.170 -16.428 64 HB3 ALA 11 3HB ALA 11 -6.150 2.636 -15.609 65 H ALA 12 H ALA 12 -5.918 4.662 -16.187 66 HA ALA 12 HA ALA 12 -4.167 6.534 -14.908 67 HB1 ALA 12 1HB ALA 12 -5.719 7.802 -15.907 68 HB2 ALA 12 2HB ALA 12 -6.923 6.512 -15.891 69 HB3 ALA 12 3HB ALA 12 -6.674 7.504 -14.454 70 H THR 13 H THR 13 -5.515 3.779 -13.782 71 HA THR 13 HA THR 13 -6.845 3.920 -11.539 72 HB THR 13 HB THR 13 -4.557 2.619 -10.569 73 HG1 THR 13 1HG THR 13 -4.906 1.747 -13.221 74 HG21 THR 13 3HG2 THR 13 -5.876 0.717 -10.680 75 HG22 THR 13 1HG2 THR 13 -6.626 1.200 -12.200 76 HG23 THR 13 2HG2 THR 13 -7.087 1.998 -10.697 77 H GLY 14 H GLY 14 -3.329 4.429 -11.203 78 HA2 GLY 14 2HA GLY 14 -2.234 6.171 -10.089 79 HA3 GLY 14 3HA GLY 14 -3.794 6.789 -9.568 80 H ALA 15 H ALA 15 -4.572 6.247 -7.588 81 HA ALA 15 HA ALA 15 -2.784 5.310 -5.633 82 HB1 ALA 15 1HB ALA 15 -5.142 6.653 -5.579 83 HB2 ALA 15 2HB ALA 15 -5.634 5.068 -4.981 84 HB3 ALA 15 3HB ALA 15 -4.352 5.959 -4.162 85 H LEU 16 H LEU 16 -5.449 3.711 -7.333 86 HA LEU 16 HA LEU 16 -5.419 1.303 -5.895 87 HB3 LEU 16 2HB LEU 16 -6.028 1.040 -8.742 88 HG LEU 16 HG LEU 16 -8.266 0.375 -7.966 89 HD11 LEU 16 1HD1 LEU 16 -5.796 -0.949 -7.483 90 HD12 LEU 16 2HD1 LEU 16 -7.373 -1.647 -7.850 91 HD13 LEU 16 3HD1 LEU 16 -6.912 -1.346 -6.175 92 HD21 LEU 16 3HD2 LEU 16 -7.192 0.723 -5.174 93 HD22 LEU 16 1HD2 LEU 16 -8.822 0.251 -5.657 94 HD23 LEU 16 2HD2 LEU 16 -8.252 1.891 -5.966 95 H GLU 17 H GLU 17 -3.740 2.236 -8.883 96 HA GLU 17 HA GLU 17 -2.424 -0.270 -9.197 97 HB3 GLU 17 2HB GLU 17 -2.867 1.453 -11.010 98 HG3 GLU 17 2HG GLU 17 -0.489 2.749 -9.712 99 H LEU 18 H LEU 18 -1.649 2.728 -7.566 100 HA LEU 18 HA LEU 18 1.094 2.377 -7.189 101 HB3 LEU 18 2HB LEU 18 -0.732 3.594 -5.138 102 HG LEU 18 HG LEU 18 2.124 4.019 -5.860 103 HD11 LEU 18 1HD1 LEU 18 0.293 6.149 -5.886 104 HD12 LEU 18 2HD1 LEU 18 2.054 6.233 -5.869 105 HD13 LEU 18 3HD1 LEU 18 1.157 6.249 -4.352 106 HD21 LEU 18 3HD2 LEU 18 0.927 2.912 -3.733 107 HD22 LEU 18 1HD2 LEU 18 0.999 4.588 -3.189 108 HD23 LEU 18 2HD2 LEU 18 2.480 3.745 -3.644 109 H VAL 19 H VAL 19 -1.591 1.470 -5.027 110 HA VAL 19 HA VAL 19 0.034 0.182 -3.107 111 HB VAL 19 HB VAL 19 -2.886 0.233 -3.696 112 HG11 VAL 19 1HG1 VAL 19 -3.216 -1.393 -1.790 113 HG12 VAL 19 2HG1 VAL 19 -2.662 -2.092 -3.313 114 HG13 VAL 19 3HG1 VAL 19 -1.522 -1.837 -1.992 115 HG21 VAL 19 3HG2 VAL 19 -2.638 1.826 -2.149 116 HG22 VAL 19 1HG2 VAL 19 -2.451 0.513 -0.988 117 HG23 VAL 19 2HG2 VAL 19 -1.026 1.262 -1.708 118 H ARG 20 H ARG 20 -2.027 -1.161 -5.689 119 HA ARG 20 HA ARG 20 -1.444 -3.844 -5.309 120 HB3 ARG 20 2HB ARG 20 -1.849 -3.932 -7.896 121 HG3 ARG 20 2HG ARG 20 -3.858 -3.046 -5.859 122 HD3 ARG 20 2HD ARG 20 -4.439 -2.253 -8.208 123 HE ARG 20 HE ARG 20 -4.128 -5.040 -8.806 124 HH11 ARG 20 1HH1 ARG 20 -5.844 -2.126 -9.633 125 HH12 ARG 20 2HH1 ARG 20 -6.196 -2.636 -11.251 126 HH21 ARG 20 1HH2 ARG 20 -4.585 -5.724 -10.933 127 HH22 ARG 20 2HH2 ARG 20 -5.480 -4.684 -11.989 128 H HIS 21 H HIS 21 0.336 -1.391 -7.112 129 HA HIS 21 HA HIS 21 2.209 -3.141 -8.304 130 HB3 HIS 21 2HB HIS 21 2.576 -0.222 -7.604 131 HD1 HIS 21 1HD HIS 21 3.947 -3.123 -9.549 132 HD2 HIS 21 2HD HIS 21 4.704 0.923 -8.980 133 HE1 HIS 21 1HE HIS 21 6.189 -2.702 -10.609 134 H LEU 22 H LEU 22 2.443 -1.070 -5.415 135 HA LEU 22 HA LEU 22 5.023 -1.863 -4.657 136 HB3 LEU 22 2HB LEU 22 4.324 -1.076 -2.375 137 HG LEU 22 HG LEU 22 3.543 0.879 -4.536 138 HD11 LEU 22 1HD1 LEU 22 2.976 2.065 -2.715 139 HD12 LEU 22 2HD1 LEU 22 4.716 2.302 -2.560 140 HD13 LEU 22 3HD1 LEU 22 3.911 1.042 -1.625 141 HD21 LEU 22 3HD2 LEU 22 6.140 1.381 -3.598 142 HD22 LEU 22 1HD2 LEU 22 5.659 0.828 -5.202 143 HD23 LEU 22 2HD2 LEU 22 6.071 -0.346 -3.952 144 H VAL 23 H VAL 23 1.847 -3.192 -3.872 145 HA VAL 23 HA VAL 23 2.795 -5.099 -1.984 146 HB VAL 23 HB VAL 23 0.236 -5.104 -3.590 147 HG11 VAL 23 1HG1 VAL 23 0.721 -6.538 -0.997 148 HG12 VAL 23 2HG1 VAL 23 -0.596 -6.757 -2.151 149 HG13 VAL 23 3HG1 VAL 23 1.032 -7.301 -2.557 150 HG21 VAL 23 3HG2 VAL 23 -0.779 -3.908 -1.889 151 HG22 VAL 23 1HG2 VAL 23 0.461 -4.334 -0.710 152 HG23 VAL 23 2HG2 VAL 23 0.812 -3.153 -1.971 153 H ALA 24 H ALA 24 1.844 -5.341 -5.403 154 HA ALA 24 HA ALA 24 2.316 -8.078 -5.724 155 HB1 ALA 24 1HB ALA 24 2.676 -7.405 -8.179 156 HB2 ALA 24 2HB ALA 24 1.110 -7.069 -7.440 157 HB3 ALA 24 3HB ALA 24 2.288 -5.771 -7.636 158 H GLU 25 H GLU 25 4.474 -5.309 -6.290 159 HA GLU 25 HA GLU 25 6.683 -6.829 -7.165 160 HB3 GLU 25 2HB GLU 25 8.006 -4.794 -6.700 161 HG3 GLU 25 2HG GLU 25 6.035 -3.200 -7.794 162 H ARG 26 H ARG 26 5.461 -6.042 -4.010 163 HA ARG 26 HA ARG 26 7.872 -6.740 -2.607 164 HB3 ARG 26 2HB ARG 26 6.121 -6.780 -0.638 165 HG3 ARG 26 2HG ARG 26 5.984 -4.091 -1.109 166 HD3 ARG 26 2HD ARG 26 7.169 -5.706 0.688 167 HE ARG 26 HE ARG 26 9.235 -5.485 -1.043 168 HH11 ARG 26 1HH1 ARG 26 8.653 -4.243 2.157 169 HH12 ARG 26 2HH1 ARG 26 10.328 -4.244 2.603 170 HH21 ARG 26 1HH2 ARG 26 11.442 -5.491 -0.468 171 HH22 ARG 26 2HH2 ARG 26 11.913 -4.954 1.109 172 H ALA 27 H ALA 27 5.071 -8.401 -3.773 173 HA ALA 27 HA ALA 27 5.549 -10.743 -2.114 174 HB1 ALA 27 1HB ALA 27 3.608 -11.671 -3.463 175 HB2 ALA 27 2HB ALA 27 3.261 -10.286 -2.426 176 HB3 ALA 27 3HB ALA 27 3.460 -10.060 -4.164 177 H GLU 28 H GLU 28 7.208 -9.592 -4.549 178 HA GLU 28 HA GLU 28 8.623 -10.467 -6.100 179 HB3 GLU 28 2HB GLU 28 7.988 -13.271 -5.320 180 HG3 GLU 28 2HG GLU 28 9.901 -12.534 -6.849 181 H LEU 29 H LEU 29 6.038 -9.893 -6.928 182 HA LEU 29 HA LEU 29 5.804 -11.711 -9.188 183 HB3 LEU 29 2HB LEU 29 4.218 -12.766 -7.866 184 HG LEU 29 HG LEU 29 4.077 -10.568 -6.259 185 HD11 LEU 29 1HD1 LEU 29 2.568 -9.373 -7.695 186 HD12 LEU 29 2HD1 LEU 29 1.693 -9.901 -6.258 187 HD13 LEU 29 3HD1 LEU 29 1.485 -10.762 -7.783 188 HD21 LEU 29 3HD2 LEU 29 2.340 -13.012 -6.463 189 HD22 LEU 29 1HD2 LEU 29 2.203 -11.863 -5.131 190 HD23 LEU 29 2HD2 LEU 29 3.717 -12.727 -5.397 191 HA PRO 30 HA PRO 30 4.950 -8.055 -11.461 192 HB3 PRO 30 2HB PRO 30 4.954 -9.356 -13.355 193 HG3 PRO 30 2HG PRO 30 4.045 -11.495 -13.344 194 HD3 PRO 30 2HD PRO 30 5.397 -11.629 -11.482 195 H VAL 31 H VAL 31 3.533 -6.356 -11.578 196 HA VAL 31 HA VAL 31 1.299 -6.367 -9.822 197 HB VAL 31 HB VAL 31 2.641 -4.346 -10.202 198 HG11 VAL 31 1HG1 VAL 31 2.825 -4.887 -12.728 199 HG12 VAL 31 2HG1 VAL 31 1.315 -3.982 -12.860 200 HG13 VAL 31 3HG1 VAL 31 2.759 -3.201 -12.213 201 HG21 VAL 31 3HG2 VAL 31 0.898 -2.973 -9.786 202 HG22 VAL 31 1HG2 VAL 31 0.020 -3.477 -11.231 203 HG23 VAL 31 2HG2 VAL 31 -0.021 -4.478 -9.780 204 H GLU 32 H GLU 32 1.660 -7.365 -13.018 205 HA GLU 32 HA GLU 32 -0.994 -6.685 -13.918 206 HB3 GLU 32 2HB GLU 32 1.049 -6.944 -15.407 207 HG3 GLU 32 2HG GLU 32 1.139 -9.511 -14.316 208 H VAL 33 H VAL 33 0.477 -9.243 -12.166 209 HA VAL 33 HA VAL 33 -1.819 -11.014 -12.630 210 HB VAL 33 HB VAL 33 0.644 -11.807 -12.796 211 HG11 VAL 33 1HG1 VAL 33 0.487 -12.448 -9.923 212 HG12 VAL 33 2HG1 VAL 33 1.888 -12.081 -10.931 213 HG13 VAL 33 3HG1 VAL 33 0.872 -10.774 -10.322 214 HG21 VAL 33 3HG2 VAL 33 -0.648 -13.712 -11.023 215 HG22 VAL 33 1HG2 VAL 33 -1.746 -13.074 -12.246 216 HG23 VAL 33 2HG2 VAL 33 -0.242 -13.856 -12.733 217 H LEU 34 H LEU 34 -0.943 -8.622 -10.572 218 HA LEU 34 HA LEU 34 -1.555 -9.735 -8.034 219 HB3 LEU 34 2HB LEU 34 -1.961 -6.847 -8.704 220 HG LEU 34 HG LEU 34 -0.613 -6.551 -6.561 221 HD11 LEU 34 1HD1 LEU 34 -2.562 -6.206 -5.519 222 HD12 LEU 34 2HD1 LEU 34 -3.081 -7.878 -5.726 223 HD13 LEU 34 3HD1 LEU 34 -3.294 -6.720 -7.039 224 HD21 LEU 34 3HD2 LEU 34 -0.144 -8.299 -5.198 225 HD22 LEU 34 1HD2 LEU 34 -0.105 -9.168 -6.731 226 HD23 LEU 34 2HD2 LEU 34 -1.549 -9.229 -5.720 227 H ARG 35 H ARG 35 -3.462 -10.440 -7.371 228 HA ARG 35 HA ARG 35 -5.890 -9.605 -8.726 229 HB3 ARG 35 2HB ARG 35 -6.976 -11.390 -7.554 230 HG3 ARG 35 2HG ARG 35 -4.306 -12.644 -7.941 231 HD3 ARG 35 2HD ARG 35 -6.543 -13.682 -9.439 232 HE ARG 35 HE ARG 35 -4.400 -14.765 -8.138 233 HH11 ARG 35 1HH1 ARG 35 -7.832 -15.346 -8.150 234 HH12 ARG 35 2HH1 ARG 35 -7.680 -17.035 -7.794 235 HH21 ARG 35 1HH2 ARG 35 -4.186 -16.987 -7.670 236 HH22 ARG 35 2HH2 ARG 35 -5.605 -17.967 -7.521 237 H ASP 36 H ASP 36 -7.751 -8.811 -7.608 238 HA ASP 36 HA ASP 36 -7.100 -6.823 -5.651 239 HB3 ASP 36 2HB ASP 36 -9.466 -6.214 -5.782 240 H ASP 37 H ASP 37 -7.999 -10.085 -5.502 241 HA ASP 37 HA ASP 37 -9.098 -9.832 -2.798 242 HB3 ASP 37 2HB ASP 37 -9.906 -12.054 -3.027 243 H SER 38 H SER 38 -6.187 -9.600 -3.737 244 HA SER 38 HA SER 38 -4.910 -11.828 -2.398 245 HB3 SER 38 2HB SER 38 -4.136 -9.930 -4.355 246 HG SER 38 HG SER 38 -2.243 -9.120 -3.491 247 H ARG 39 H ARG 39 -4.627 -11.897 -0.280 248 HA ARG 39 HA ARG 39 -4.761 -9.427 1.274 249 HB3 ARG 39 2HB ARG 39 -5.216 -10.774 3.166 250 HG3 ARG 39 2HG ARG 39 -6.493 -12.524 1.120 251 HD3 ARG 39 2HD ARG 39 -6.929 -11.742 3.866 252 HE ARG 39 HE ARG 39 -8.914 -10.769 2.079 253 HH11 ARG 39 1HH1 ARG 39 -8.476 -12.391 5.128 254 HH12 ARG 39 2HH1 ARG 39 -9.979 -11.836 5.787 255 HH21 ARG 39 1HH2 ARG 39 -10.895 -10.033 2.936 256 HH22 ARG 39 2HH2 ARG 39 -11.355 -10.496 4.539 257 H PHE 40 H PHE 40 -3.147 -8.734 2.646 258 HA PHE 40 HA PHE 40 -0.478 -9.600 1.952 259 HB3 PHE 40 2HB PHE 40 0.235 -7.589 2.759 260 HD1 PHE 40 1HD PHE 40 -0.558 -6.829 0.553 261 HD2 PHE 40 2HD PHE 40 -3.014 -6.614 4.023 262 HE1 PHE 40 1HE PHE 40 -2.042 -5.242 -0.600 263 HE2 PHE 40 2HE PHE 40 -4.502 -5.027 2.876 264 HZ PHE 40 HZ PHE 40 -4.019 -4.340 0.561 265 H LEU 41 H LEU 41 -1.455 -11.756 3.042 266 HA LEU 41 HA LEU 41 0.200 -12.338 5.209 267 HB3 LEU 41 2HB LEU 41 -2.471 -12.573 6.346 268 HG LEU 41 HG LEU 41 -1.535 -12.030 8.361 269 HD11 LEU 41 1HD1 LEU 41 -0.190 -13.834 6.960 270 HD12 LEU 41 2HD1 LEU 41 0.299 -13.353 8.584 271 HD13 LEU 41 3HD1 LEU 41 1.110 -12.662 7.180 272 HD21 LEU 41 3HD2 LEU 41 0.865 -10.612 7.398 273 HD22 LEU 41 1HD2 LEU 41 -0.184 -10.272 8.775 274 HD23 LEU 41 2HD2 LEU 41 -0.675 -9.787 7.151 275 H ASP 42 H ASP 42 -2.905 -13.071 3.684 276 HA ASP 42 HA ASP 42 -2.739 -15.880 4.274 277 HB3 ASP 42 2HB ASP 42 -4.532 -14.580 2.226 278 H ASP 43 H ASP 43 -2.820 -14.122 1.170 279 HA ASP 43 HA ASP 43 -1.483 -16.360 -0.124 280 HB3 ASP 43 2HB ASP 43 -1.792 -14.314 -2.000 281 H LEU 44 H LEU 44 -1.004 -12.822 -0.154 282 HA LEU 44 HA LEU 44 1.548 -12.799 -1.214 283 HB3 LEU 44 2HB LEU 44 1.770 -10.585 -0.378 284 HG LEU 44 HG LEU 44 -1.161 -11.107 -0.861 285 HD11 LEU 44 1HD1 LEU 44 -0.983 -8.556 -1.445 286 HD12 LEU 44 2HD1 LEU 44 0.335 -8.598 -0.275 287 HD13 LEU 44 3HD1 LEU 44 -1.289 -9.085 0.209 288 HD21 LEU 44 3HD2 LEU 44 -0.561 -11.242 -2.992 289 HD22 LEU 44 1HD2 LEU 44 1.128 -10.982 -2.559 290 HD23 LEU 44 2HD2 LEU 44 0.084 -9.603 -2.903 291 H HIS 45 H HIS 45 0.516 -13.673 1.965 292 HA HIS 45 HA HIS 45 1.619 -14.487 3.781 293 HB3 HIS 45 2HB HIS 45 4.177 -14.764 2.277 294 HD1 HIS 45 1HD HIS 45 3.000 -15.166 5.368 295 HD2 HIS 45 2HD HIS 45 4.212 -18.021 2.604 296 HE1 HIS 45 1HE HIS 45 3.601 -17.199 6.722 297 H MET 46 H MET 46 1.910 -11.594 2.803 298 HA MET 46 HA MET 46 4.436 -10.703 3.803 299 HB3 MET 46 2HB MET 46 3.666 -8.505 3.368 300 HG3 MET 46 2HG MET 46 1.944 -9.241 1.281 301 HE1 MET 46 3HE MET 46 2.098 -7.480 0.063 302 HE2 MET 46 1HE MET 46 3.500 -6.613 -0.566 303 HE3 MET 46 2HE MET 46 3.012 -8.145 -1.292 304 H SER 47 H SER 47 4.818 -11.190 5.900 305 HA SER 47 HA SER 47 3.000 -11.327 7.980 306 HB3 SER 47 2HB SER 47 4.892 -11.186 9.484 307 HG SER 47 HG SER 47 4.939 -13.093 8.382 308 H SER 48 H SER 48 2.713 -9.886 9.829 309 HA SER 48 HA SER 48 1.663 -7.441 9.206 310 HB3 SER 48 2HB SER 48 1.110 -8.220 11.336 311 HG SER 48 HG SER 48 2.461 -9.449 12.350 312 H ILE 49 H ILE 49 5.000 -8.193 10.029 313 HA ILE 49 HA ILE 49 5.857 -5.467 10.148 314 HB ILE 49 HB ILE 49 7.495 -7.980 9.783 315 HG13 ILE 49 2HG1 ILE 49 6.352 -6.584 12.151 316 HG21 ILE 49 1HG2 ILE 49 8.772 -5.695 11.052 317 HG22 ILE 49 2HG2 ILE 49 9.348 -6.736 9.751 318 HG23 ILE 49 3HG2 ILE 49 8.289 -5.374 9.386 319 HD11 ILE 49 3HD1 ILE 49 7.040 -9.165 12.833 320 HD12 ILE 49 1HD1 ILE 49 5.443 -8.595 12.349 321 HD13 ILE 49 2HD1 ILE 49 6.533 -9.290 11.148 322 H THR 50 H THR 50 5.930 -8.006 7.688 323 HA THR 50 HA THR 50 7.456 -6.599 5.780 324 HB THR 50 HB THR 50 5.401 -8.778 5.362 325 HG1 THR 50 1HG THR 50 8.166 -8.738 5.918 326 HG21 THR 50 3HG2 THR 50 5.994 -7.326 3.346 327 HG22 THR 50 1HG2 THR 50 6.226 -9.065 3.174 328 HG23 THR 50 2HG2 THR 50 7.612 -8.015 3.470 329 H VAL 51 H VAL 51 3.970 -6.807 6.349 330 HA VAL 51 HA VAL 51 3.085 -5.444 4.079 331 HB VAL 51 HB VAL 51 1.755 -5.159 6.762 332 HG11 VAL 51 1HG1 VAL 51 0.870 -5.125 3.900 333 HG12 VAL 51 2HG1 VAL 51 -0.271 -5.477 5.199 334 HG13 VAL 51 3HG1 VAL 51 0.584 -3.933 5.168 335 HG21 VAL 51 3HG2 VAL 51 0.691 -7.400 5.425 336 HG22 VAL 51 1HG2 VAL 51 2.442 -7.605 5.451 337 HG23 VAL 51 2HG2 VAL 51 1.561 -7.363 6.959 338 H GLY 52 H GLY 52 3.860 -4.169 7.316 339 HA2 GLY 52 2HA GLY 52 3.285 -1.482 6.802 340 HA3 GLY 52 3HA GLY 52 4.421 -2.057 8.013 341 H GLN 53 H GLN 53 6.161 -3.367 6.086 342 HA GLN 53 HA GLN 53 7.941 -1.278 5.568 343 HB3 GLN 53 2HB GLN 53 9.224 -2.892 4.280 344 HG3 GLN 53 2HG GLN 53 8.598 -4.986 5.964 345 HE21 GLN 53 1HE2 GLN 53 10.449 -5.605 6.871 346 HE22 GLN 53 2HE2 GLN 53 11.854 -4.615 7.044 347 H LEU 54 H LEU 54 5.690 -2.952 3.394 348 HA LEU 54 HA LEU 54 6.389 -1.268 1.161 349 HB3 LEU 54 2HB LEU 54 5.539 -3.731 1.178 350 HG LEU 54 HG LEU 54 3.234 -2.834 2.191 351 HD11 LEU 54 1HD1 LEU 54 2.942 -1.380 0.137 352 HD12 LEU 54 2HD1 LEU 54 1.584 -2.423 0.561 353 HD13 LEU 54 3HD1 LEU 54 2.662 -2.873 -0.760 354 HD21 LEU 54 3HD2 LEU 54 2.416 -4.840 0.421 355 HD22 LEU 54 1HD2 LEU 54 2.985 -5.038 2.079 356 HD23 LEU 54 2HD2 LEU 54 4.124 -5.151 0.737 357 H VAL 55 H VAL 55 3.865 -1.424 3.581 358 HA VAL 55 HA VAL 55 1.994 0.299 2.415 359 HB VAL 55 HB VAL 55 2.625 -0.358 5.279 360 HG11 VAL 55 1HG1 VAL 55 0.944 1.827 4.227 361 HG12 VAL 55 2HG1 VAL 55 0.227 0.833 5.496 362 HG13 VAL 55 3HG1 VAL 55 1.755 1.665 5.784 363 HG21 VAL 55 3HG2 VAL 55 0.538 -1.548 5.203 364 HG22 VAL 55 1HG2 VAL 55 0.177 -0.899 3.603 365 HG23 VAL 55 2HG2 VAL 55 1.511 -2.033 3.814 366 H ASN 56 H ASN 56 4.912 0.954 4.262 367 HA ASN 56 HA ASN 56 4.455 3.715 4.677 368 HB3 ASN 56 2HB ASN 56 7.189 3.482 4.637 369 HD21 ASN 56 1HD2 ASN 56 6.096 1.348 7.012 370 HD22 ASN 56 2HD2 ASN 56 5.878 2.492 8.288 371 H GLU 57 H GLU 57 5.850 1.879 2.038 372 HA GLU 57 HA GLU 57 6.990 4.088 0.663 373 HB3 GLU 57 2HB GLU 57 6.058 1.518 -0.606 374 HG3 GLU 57 2HG GLU 57 6.947 3.227 -2.131 375 H ALA 58 H ALA 58 3.841 2.531 0.603 376 HA ALA 58 HA ALA 58 2.861 3.887 -1.695 377 HB1 ALA 58 1HB ALA 58 1.699 2.192 0.438 378 HB2 ALA 58 2HB ALA 58 0.596 3.235 -0.460 379 HB3 ALA 58 3HB ALA 58 1.582 2.049 -1.316 380 H ALA 59 H ALA 59 2.258 4.374 1.787 381 HA ALA 59 HA ALA 59 0.617 6.570 1.682 382 HB1 ALA 59 1HB ALA 59 2.415 5.400 3.652 383 HB2 ALA 59 2HB ALA 59 2.210 7.141 3.848 384 HB3 ALA 59 3HB ALA 59 0.800 6.081 3.853 385 H ARG 60 H ARG 60 4.163 6.527 1.569 386 HA ARG 60 HA ARG 60 4.584 9.290 1.581 387 HB3 ARG 60 2HB ARG 60 6.207 7.093 0.289 388 HG3 ARG 60 2HG ARG 60 7.966 9.050 1.058 389 HD3 ARG 60 2HD ARG 60 7.489 9.499 -1.654 390 HE ARG 60 HE ARG 60 9.525 8.360 -0.161 391 HH11 ARG 60 1HH1 ARG 60 8.063 7.909 -3.289 392 HH12 ARG 60 2HH1 ARG 60 9.516 7.318 -4.027 393 HH21 ARG 60 1HH2 ARG 60 11.443 7.584 -1.122 394 HH22 ARG 60 2HH2 ARG 60 11.437 7.133 -2.793 395 H ALA 61 H ALA 61 3.972 7.059 -1.091 396 HA ALA 61 HA ALA 61 4.338 8.975 -3.156 397 HB1 ALA 61 1HB ALA 61 3.266 7.315 -4.608 398 HB2 ALA 61 2HB ALA 61 4.516 6.591 -3.594 399 HB3 ALA 61 3HB ALA 61 2.815 6.373 -3.185 400 H MET 62 H MET 62 1.536 7.853 -1.328 401 HA MET 62 HA MET 62 -0.388 9.270 -2.880 402 HB3 MET 62 2HB MET 62 -1.946 8.735 -1.075 403 HG3 MET 62 2HG MET 62 -1.856 6.371 -1.069 404 HE1 MET 62 3HE MET 62 -3.224 8.102 -2.567 405 HE2 MET 62 1HE MET 62 -2.261 8.995 -3.745 406 HE3 MET 62 2HE MET 62 -3.372 7.737 -4.287 407 H GLY 63 H GLY 63 1.779 10.152 -0.354 408 HA2 GLY 63 2HA GLY 63 2.208 12.557 -0.135 409 HA3 GLY 63 3HA GLY 63 0.469 12.796 -0.204 410 H LEU 64 H LEU 64 0.512 10.177 1.559 411 HA LEU 64 HA LEU 64 -0.023 11.462 3.997 412 HB3 LEU 64 2HB LEU 64 -0.304 9.325 4.924 413 HG LEU 64 HG LEU 64 -0.765 8.703 2.013 414 HD11 LEU 64 1HD1 LEU 64 -2.250 7.822 4.481 415 HD12 LEU 64 2HD1 LEU 64 -0.997 6.872 3.681 416 HD13 LEU 64 3HD1 LEU 64 -2.491 7.258 2.827 417 HD21 LEU 64 3HD2 LEU 64 -2.260 10.336 1.898 418 HD22 LEU 64 1HD2 LEU 64 -1.852 10.843 3.537 419 HD23 LEU 64 2HD2 LEU 64 -3.119 9.644 3.276 420 H SER 65 H SER 65 1.283 9.973 5.944 421 HA SER 65 HA SER 65 4.111 10.039 5.669 422 HB3 SER 65 2HB SER 65 3.040 12.194 7.484 423 HG SER 65 HG SER 65 5.362 12.833 6.595 424 H ALA 66 H ALA 66 1.823 10.821 8.295 425 HA ALA 66 HA ALA 66 3.086 8.798 9.971 426 HB1 ALA 66 1HB ALA 66 1.310 9.779 11.635 427 HB2 ALA 66 2HB ALA 66 2.780 10.675 11.251 428 HB3 ALA 66 3HB ALA 66 1.259 11.099 10.465 429 H VAL 67 H VAL 67 0.508 9.009 7.835 430 HA VAL 67 HA VAL 67 -1.452 7.438 9.124 431 HB VAL 67 HB VAL 67 -0.970 7.565 6.148 432 HG11 VAL 67 1HG1 VAL 67 -2.891 6.240 7.741 433 HG12 VAL 67 2HG1 VAL 67 -3.713 7.571 6.922 434 HG13 VAL 67 3HG1 VAL 67 -2.830 6.367 5.984 435 HG21 VAL 67 3HG2 VAL 67 -1.023 9.827 6.861 436 HG22 VAL 67 1HG2 VAL 67 -2.630 9.462 6.233 437 HG23 VAL 67 2HG2 VAL 67 -2.356 9.517 7.975 438 H ALA 68 H ALA 68 1.618 6.620 8.072 439 HA ALA 68 HA ALA 68 1.706 4.271 6.847 440 HB1 ALA 68 1HB ALA 68 3.080 4.517 9.507 441 HB2 ALA 68 2HB ALA 68 3.637 3.686 8.054 442 HB3 ALA 68 3HB ALA 68 3.581 5.449 8.096 443 H MET 69 H MET 69 0.263 2.667 6.879 444 HA MET 69 HA MET 69 -0.933 0.874 7.612 445 HB3 MET 69 2HB MET 69 -0.290 -0.252 9.593 446 HG3 MET 69 2HG MET 69 2.289 1.149 9.208 447 HE1 MET 69 3HE MET 69 0.273 -1.796 8.332 448 HE2 MET 69 1HE MET 69 1.528 -3.023 8.164 449 HE3 MET 69 2HE MET 69 0.592 -2.918 9.654 450 HA PRO 70 HA PRO 70 -3.998 3.764 9.439 451 HB3 PRO 70 2HB PRO 70 -4.839 4.187 7.343 452 HG3 PRO 70 2HG PRO 70 -4.566 2.660 5.611 453 HD3 PRO 70 2HD PRO 70 -2.392 2.797 6.364 454 H THR 71 H THR 71 -4.607 0.402 8.421 455 HA THR 71 HA THR 71 -5.569 -0.227 11.093 456 HB THR 71 HB THR 71 -7.584 0.518 9.803 457 HG1 THR 71 1HG THR 71 -8.799 -1.133 10.632 458 HG21 THR 71 3HG2 THR 71 -6.462 -1.048 7.778 459 HG22 THR 71 1HG2 THR 71 -8.039 -0.260 7.762 460 HG23 THR 71 2HG2 THR 71 -7.893 -1.931 8.306 461 H ASN 72 H ASN 72 -6.324 -2.680 11.033 462 HA ASN 72 HA ASN 72 -4.099 -4.246 10.626 463 HB3 ASN 72 2HB ASN 72 -6.884 -5.364 10.364 464 HD21 ASN 72 1HD2 ASN 72 -6.991 -7.300 11.894 465 HD22 ASN 72 2HD2 ASN 72 -5.634 -8.369 11.848 466 H PHE 73 H PHE 73 -3.323 -5.546 9.009 467 HA PHE 73 HA PHE 73 -4.655 -5.309 6.390 468 HB3 PHE 73 2HB PHE 73 -2.207 -5.646 5.533 469 HD1 PHE 73 2HD PHE 73 -4.278 -4.076 4.574 470 HD2 PHE 73 1HD PHE 73 -1.143 -2.889 7.196 471 HE1 PHE 73 2HE PHE 73 -4.549 -1.745 3.837 472 HE2 PHE 73 1HE PHE 73 -1.410 -0.554 6.464 473 HZ PHE 73 HZ PHE 73 -3.114 0.019 4.781 474 H ALA 74 H ALA 74 -3.350 -7.370 8.778 475 HA ALA 74 HA ALA 74 -2.603 -9.622 7.324 476 HB1 ALA 74 1HB ALA 74 -4.012 -9.718 9.982 477 HB2 ALA 74 2HB ALA 74 -2.829 -10.856 9.334 478 HB3 ALA 74 3HB ALA 74 -2.327 -9.230 9.801 479 H THR 75 H THR 75 -5.704 -8.243 7.779 480 HA THR 75 HA THR 75 -6.947 -10.637 6.587 481 HB THR 75 HB THR 75 -7.753 -10.397 8.868 482 HG1 THR 75 1HG THR 75 -9.816 -9.426 7.176 483 HG21 THR 75 3HG2 THR 75 -7.451 -7.696 8.486 484 HG22 THR 75 1HG2 THR 75 -8.279 -8.447 9.849 485 HG23 THR 75 2HG2 THR 75 -9.203 -7.892 8.453 486 H ALA 76 H ALA 76 -5.880 -7.772 5.754 487 HA ALA 76 HA ALA 76 -8.256 -6.980 4.211 488 HB1 ALA 76 1HB ALA 76 -7.357 -4.801 4.047 489 HB2 ALA 76 2HB ALA 76 -7.130 -5.299 5.724 490 HB3 ALA 76 3HB ALA 76 -5.770 -5.334 4.603 491 H THR 77 H THR 77 -8.023 -6.451 1.980 492 HA THR 77 HA THR 77 -5.873 -7.975 0.680 493 HB THR 77 HB THR 77 -7.274 -8.209 -1.232 494 HG1 THR 77 1HG THR 77 -8.849 -6.211 0.025 495 HG21 THR 77 3HG2 THR 77 -8.034 -9.142 1.293 496 HG22 THR 77 1HG2 THR 77 -8.512 -9.798 -0.272 497 HG23 THR 77 2HG2 THR 77 -9.526 -8.597 0.528 498 H VAL 78 H VAL 78 -5.301 -7.089 -1.569 499 HA VAL 78 HA VAL 78 -3.955 -4.692 -1.330 500 HB VAL 78 HB VAL 78 -3.719 -4.690 -3.761 501 HG11 VAL 78 1HG1 VAL 78 -3.313 -7.432 -3.751 502 HG12 VAL 78 2HG1 VAL 78 -2.153 -6.195 -3.260 503 HG13 VAL 78 3HG1 VAL 78 -3.182 -6.969 -2.054 504 HG21 VAL 78 3HG2 VAL 78 -5.955 -5.223 -4.449 505 HG22 VAL 78 1HG2 VAL 78 -4.868 -6.454 -5.093 506 HG23 VAL 78 2HG2 VAL 78 -5.864 -6.808 -3.681 507 H ARG 79 H ARG 79 -7.230 -5.284 -2.478 508 HA ARG 79 HA ARG 79 -7.728 -2.694 -3.488 509 HB3 ARG 79 2HB ARG 79 -9.603 -4.819 -2.446 510 HG3 ARG 79 2HG ARG 79 -11.123 -3.452 -4.171 511 HD3 ARG 79 2HD ARG 79 -10.772 -3.115 -1.211 512 HE ARG 79 HE ARG 79 -12.248 -1.329 -2.784 513 HH11 ARG 79 1HH1 ARG 79 -12.649 -3.379 0.001 514 HH12 ARG 79 2HH1 ARG 79 -13.872 -2.385 0.719 515 HH21 ARG 79 1HH2 ARG 79 -13.857 -0.012 -1.848 516 HH22 ARG 79 2HH2 ARG 79 -14.559 -0.470 -0.334 517 H GLU 80 H GLU 80 -8.167 -4.147 -0.299 518 HA GLU 80 HA GLU 80 -9.560 -1.994 0.875 519 HB3 GLU 80 2HB GLU 80 -8.717 -2.997 3.043 520 HG3 GLU 80 2HG GLU 80 -9.985 -4.881 1.069 521 H MET 81 H MET 81 -6.105 -2.843 0.903 522 HA MET 81 HA MET 81 -5.251 -0.643 2.431 523 HB3 MET 81 2HB MET 81 -3.742 -2.248 0.360 524 HG3 MET 81 2HG MET 81 -2.504 -0.806 2.669 525 HE1 MET 81 3HE MET 81 -1.037 -2.516 3.255 526 HE2 MET 81 1HE MET 81 -1.385 -3.821 2.121 527 HE3 MET 81 2HE MET 81 0.264 -3.220 2.295 528 H ALA 82 H ALA 82 -5.711 -1.068 -1.037 529 HA ALA 82 HA ALA 82 -4.545 1.419 -1.788 530 HB1 ALA 82 1HB ALA 82 -5.258 0.945 -3.967 531 HB2 ALA 82 2HB ALA 82 -4.933 -0.636 -3.254 532 HB3 ALA 82 3HB ALA 82 -6.595 -0.061 -3.406 533 H GLU 83 H GLU 83 -7.920 0.334 -1.438 534 HA GLU 83 HA GLU 83 -9.148 2.752 -2.098 535 HB3 GLU 83 2HB GLU 83 -10.911 1.722 -0.329 536 HG3 GLU 83 2HG GLU 83 -11.919 0.456 -2.097 537 H ALA 84 H ALA 84 -7.818 1.603 0.945 538 HA ALA 84 HA ALA 84 -8.866 3.687 2.565 539 HB1 ALA 84 1HB ALA 84 -8.184 2.178 4.054 540 HB2 ALA 84 2HB ALA 84 -7.086 1.421 2.899 541 HB3 ALA 84 3HB ALA 84 -6.560 2.827 3.824 542 H LEU 85 H LEU 85 -5.874 3.277 0.745 543 HA LEU 85 HA LEU 85 -4.623 5.632 1.760 544 HB3 LEU 85 2HB LEU 85 -3.367 5.194 -0.597 545 HG LEU 85 HG LEU 85 -2.933 3.887 2.055 546 HD11 LEU 85 1HD1 LEU 85 -2.382 2.151 0.444 547 HD12 LEU 85 2HD1 LEU 85 -0.920 2.803 1.184 548 HD13 LEU 85 3HD1 LEU 85 -1.370 3.284 -0.452 549 HD21 LEU 85 3HD2 LEU 85 -2.241 6.300 1.122 550 HD22 LEU 85 1HD2 LEU 85 -0.845 5.369 0.580 551 HD23 LEU 85 2HD2 LEU 85 -1.270 5.404 2.290 552 H GLU 86 H GLU 86 -6.347 4.852 -1.245 553 HA GLU 86 HA GLU 86 -6.055 7.367 -2.465 554 HB3 GLU 86 2HB GLU 86 -6.907 5.106 -3.433 555 HG3 GLU 86 2HG GLU 86 -9.505 6.373 -2.596 556 H ALA 87 H ALA 87 -8.359 6.146 -0.125 557 HA ALA 87 HA ALA 87 -10.265 8.215 -0.327 558 HB1 ALA 87 1HB ALA 87 -10.759 7.478 2.113 559 HB2 ALA 87 2HB ALA 87 -11.047 6.347 0.789 560 HB3 ALA 87 3HB ALA 87 -9.592 6.199 1.775 561 H ARG 88 H ARG 88 -7.267 7.906 1.474 562 HA ARG 88 HA ARG 88 -7.622 10.101 3.204 563 HB3 ARG 88 2HB ARG 88 -5.333 9.888 3.729 564 HG3 ARG 88 2HG ARG 88 -5.257 7.150 2.881 565 HD3 ARG 88 2HD ARG 88 -4.202 7.855 4.898 566 HE ARG 88 HE ARG 88 -5.239 9.532 6.044 567 HH11 ARG 88 1HH1 ARG 88 -7.589 7.074 5.296 568 HH12 ARG 88 2HH1 ARG 88 -8.857 7.824 6.210 569 HH21 ARG 88 1HH2 ARG 88 -6.900 10.529 7.250 570 HH22 ARG 88 2HH2 ARG 88 -8.463 9.788 7.319 571 H GLU 89 H GLU 89 -5.702 9.876 0.202 572 HA GLU 89 HA GLU 89 -5.108 12.612 0.035 573 HB3 GLU 89 2HB GLU 89 -3.824 11.032 -1.238 574 HG3 GLU 89 2HG GLU 89 -5.870 9.514 -1.676 575 H ARG 90 H ARG 90 -7.880 10.759 -1.011 576 HA ARG 90 HA ARG 90 -9.015 12.637 -2.769 577 HB3 ARG 90 2HB ARG 90 -10.272 10.485 -1.066 578 HG3 ARG 90 2HG ARG 90 -11.561 11.924 -3.373 579 HD3 ARG 90 2HD ARG 90 -12.212 9.545 -1.742 580 HE ARG 90 HE ARG 90 -14.062 11.645 -1.775 581 HH11 ARG 90 1HH1 ARG 90 -13.875 8.251 -2.527 582 HH12 ARG 90 2HH1 ARG 90 -15.546 7.950 -2.185 583 HH21 ARG 90 1HH2 ARG 90 -16.265 11.261 -1.323 584 HH22 ARG 90 2HH2 ARG 90 -16.905 9.663 -1.500 585 H GLU 91 H GLU 91 -8.861 12.499 0.682 586 HA GLU 91 HA GLU 91 -10.866 14.628 0.929 587 HB3 GLU 91 2HB GLU 91 -10.035 13.978 3.491 588 HG3 GLU 91 2HG GLU 91 -12.346 13.019 1.845 589 H ALA 92 H ALA 92 -7.484 14.000 1.097 590 HA ALA 92 HA ALA 92 -6.532 15.962 2.783 591 HB1 ALA 92 1HB ALA 92 -4.792 14.727 2.049 592 HB2 ALA 92 2HB ALA 92 -5.468 14.538 0.430 593 HB3 ALA 92 3HB ALA 92 -4.645 16.033 0.873 594 HA PRO 93 HA PRO 93 -7.332 19.889 0.998 595 HB3 PRO 93 2HB PRO 93 -6.172 20.818 2.751 596 HG3 PRO 93 2HG PRO 93 -4.255 19.803 3.592 597 HD3 PRO 93 2HD PRO 93 -5.688 17.999 3.585 598 H HIS 94 H HIS 94 -7.483 20.322 -1.103 599 HA HIS 94 HA HIS 94 -5.068 20.537 -2.713 600 HB3 HIS 94 2HB HIS 94 -5.877 18.186 -2.974 601 HD1 HIS 94 1HD HIS 94 -8.422 18.361 -1.757 602 HD2 HIS 94 2HD HIS 94 -8.127 18.742 -5.884 603 HE1 HIS 94 1HE HIS 94 -10.722 17.863 -2.644 604 H LEU 95 H LEU 95 -6.128 20.940 -5.175 605 HA LEU 95 HA LEU 95 -6.994 23.572 -5.117 606 HB3 LEU 95 2HB LEU 95 -8.024 22.451 -7.478 607 HG LEU 95 HG LEU 95 -5.260 23.597 -7.083 608 HD11 LEU 95 1HD1 LEU 95 -5.359 24.066 -9.472 609 HD12 LEU 95 2HD1 LEU 95 -6.928 23.269 -9.573 610 HD13 LEU 95 3HD1 LEU 95 -5.490 22.335 -9.160 611 HD21 LEU 95 3HD2 LEU 95 -6.918 25.175 -6.342 612 HD22 LEU 95 1HD2 LEU 95 -7.882 24.904 -7.794 613 HD23 LEU 95 2HD2 LEU 95 -6.305 25.685 -7.917 614 H GLU 96 H GLU 96 -9.078 24.417 -6.019 615 HA GLU 96 HA GLU 96 -11.218 23.803 -4.389 616 HB3 GLU 96 2HB GLU 96 -12.268 24.760 -6.856 617 HG3 GLU 96 2HG GLU 96 -13.010 25.492 -4.639 618 H HIS 97 H HIS 97 -12.639 22.196 -4.305 619 HA HIS 97 HA HIS 97 -13.799 20.956 -6.557 620 HB3 HIS 97 2HB HIS 97 -12.339 18.802 -5.239 621 HD1 HIS 97 1HD HIS 97 -12.987 16.952 -6.729 622 HD2 HIS 97 2HD HIS 97 -12.256 20.447 -8.854 623 HE1 HIS 97 1HE HIS 97 -13.317 16.349 -9.148 624 H HIS 98 H HIS 98 -12.748 20.025 -3.275 625 HA HIS 98 HA HIS 98 -15.540 19.879 -2.450 626 HB3 HIS 98 2HB HIS 98 -14.270 17.589 -1.334 627 HD1 HIS 98 1HD HIS 98 -16.406 18.106 -4.452 628 HD2 HIS 98 2HD HIS 98 -16.575 16.356 -0.688 629 HE1 HIS 98 1HE HIS 98 -18.669 17.019 -4.317 630 H HIS 99 H HIS 99 -15.426 18.988 0.022 631 HA HIS 99 HA HIS 99 -13.155 19.989 1.480 632 HB3 HIS 99 2HB HIS 99 -14.299 22.093 1.038 633 HD1 HIS 99 1HD HIS 99 -16.478 21.996 -0.366 634 HD2 HIS 99 2HD HIS 99 -17.007 21.188 3.676 635 HE1 HIS 99 1HE HIS 99 -18.960 22.116 0.026 636 H HIS 100 H HIS 100 -13.032 19.146 3.517 637 HA HIS 100 HA HIS 100 -15.163 18.233 5.074 638 HB3 HIS 100 2HB HIS 100 -13.905 15.733 4.307 639 HD1 HIS 100 1HD HIS 100 -15.405 14.612 5.990 640 HD2 HIS 100 2HD HIS 100 -17.507 16.918 3.248 641 HE1 HIS 100 1HE HIS 100 -17.831 14.080 6.383 642 H HIS 101 H HIS 101 -14.443 18.006 7.100 643 HA HIS 101 HA HIS 101 -11.573 18.051 7.553 644 HB3 HIS 101 2HB HIS 101 -13.518 18.024 9.812 645 HD1 HIS 101 1HD HIS 101 -11.508 17.682 11.367 646 HD2 HIS 101 2HD HIS 101 -11.172 21.014 8.907 647 HE1 HIS 101 1HE HIS 101 -9.568 18.998 12.279 648 H HIS 102 H HIS 102 -14.275 16.250 9.037 649 HA HIS 102 HA HIS 102 -12.817 13.763 8.780 650 HB3 HIS 102 2HB HIS 102 -13.664 14.548 11.557 651 HD1 HIS 102 1HD HIS 102 -10.420 13.400 11.863 652 HD2 HIS 102 2HD HIS 102 -13.979 11.498 10.875 653 HE1 HIS 102 1HE HIS 102 -10.040 10.963 12.356 Start of MODEL 10 1 H1 MET 1 H MET 1 12.532 -6.538 -12.776 2 HA MET 1 HA MET 1 9.689 -6.992 -12.939 3 HB3 MET 1 2HB MET 1 9.196 -6.478 -10.615 4 HG3 MET 1 2HG MET 1 10.387 -8.411 -9.449 5 HE1 MET 1 3HE MET 1 9.920 -11.253 -10.545 6 HE2 MET 1 1HE MET 1 9.158 -10.586 -9.100 7 HE3 MET 1 2HE MET 1 8.177 -11.410 -10.313 8 H ALA 2 H ALA 2 9.062 -5.239 -14.006 9 HA ALA 2 HA ALA 2 9.265 -2.644 -12.932 10 HB1 ALA 2 1HB ALA 2 10.995 -1.650 -13.985 11 HB2 ALA 2 2HB ALA 2 11.631 -3.294 -14.032 12 HB3 ALA 2 3HB ALA 2 10.810 -2.625 -15.444 13 H ARG 3 H ARG 3 9.012 -1.046 -15.121 14 HA ARG 3 HA ARG 3 7.522 -0.333 -16.686 15 HB3 ARG 3 2HB ARG 3 6.789 -1.881 -18.379 16 HG3 ARG 3 2HG ARG 3 9.534 -2.584 -17.374 17 HD3 ARG 3 2HD ARG 3 8.815 -4.415 -18.744 18 HE ARG 3 HE ARG 3 7.497 -2.437 -20.358 19 HH11 ARG 3 1HH1 ARG 3 8.842 -5.648 -20.295 20 HH12 ARG 3 2HH1 ARG 3 7.868 -6.223 -21.608 21 HH21 ARG 3 1HH2 ARG 3 6.210 -3.182 -22.088 22 HH22 ARG 3 2HH2 ARG 3 6.371 -4.819 -22.628 23 H ALA 4 H ALA 4 6.141 0.369 -14.961 24 HA ALA 4 HA ALA 4 4.030 -1.325 -14.008 25 HB1 ALA 4 1HB ALA 4 3.378 0.465 -12.659 26 HB2 ALA 4 2HB ALA 4 5.128 0.641 -12.783 27 HB3 ALA 4 3HB ALA 4 4.068 1.663 -13.753 28 H ASP 5 H ASP 5 4.489 0.721 -16.721 29 HA ASP 5 HA ASP 5 1.826 1.485 -17.235 30 HB3 ASP 5 2HB ASP 5 3.811 2.492 -18.337 31 H ASP 6 H ASP 6 3.364 -1.538 -17.405 32 HA ASP 6 HA ASP 6 2.151 -2.830 -19.521 33 HB3 ASP 6 2HB ASP 6 3.887 -3.774 -17.951 34 H THR 7 H THR 7 0.426 -4.586 -19.279 35 HA THR 7 HA THR 7 -1.812 -5.006 -19.138 36 HB THR 7 HB THR 7 -2.474 -4.135 -16.541 37 HG1 THR 7 1HG THR 7 -0.497 -3.887 -15.750 38 HG21 THR 7 3HG2 THR 7 -2.442 -6.522 -16.026 39 HG22 THR 7 1HG2 THR 7 -1.512 -6.836 -17.490 40 HG23 THR 7 2HG2 THR 7 -3.167 -6.235 -17.607 41 H ALA 8 H ALA 8 -2.564 -3.450 -20.594 42 HA ALA 8 HA ALA 8 -3.900 -1.734 -21.268 43 HB1 ALA 8 1HB ALA 8 -4.681 -0.853 -18.577 44 HB2 ALA 8 2HB ALA 8 -5.677 -1.286 -19.967 45 HB3 ALA 8 3HB ALA 8 -5.007 -2.551 -18.935 46 H LEU 9 H LEU 9 -4.441 0.753 -20.292 47 HA LEU 9 HA LEU 9 -2.016 2.127 -20.761 48 HB3 LEU 9 2HB LEU 9 -3.556 4.060 -19.733 49 HG LEU 9 HG LEU 9 -2.858 3.783 -22.177 50 HD11 LEU 9 1HD1 LEU 9 -5.192 3.178 -23.403 51 HD12 LEU 9 2HD1 LEU 9 -5.229 2.052 -22.048 52 HD13 LEU 9 3HD1 LEU 9 -3.867 2.038 -23.169 53 HD21 LEU 9 3HD2 LEU 9 -5.466 5.027 -21.337 54 HD22 LEU 9 1HD2 LEU 9 -4.754 5.269 -22.933 55 HD23 LEU 9 2HD2 LEU 9 -3.888 5.800 -21.491 56 HA PRO 10 HA PRO 10 -0.220 2.477 -16.770 57 HB3 PRO 10 2HB PRO 10 1.573 3.476 -17.803 58 HG3 PRO 10 2HG PRO 10 1.272 4.910 -19.608 59 HD3 PRO 10 2HD PRO 10 -0.001 3.120 -20.307 60 H ALA 11 H ALA 11 -0.709 3.220 -14.759 61 HA ALA 11 HA ALA 11 -1.976 4.170 -13.117 62 HB1 ALA 11 1HB ALA 11 -2.004 6.581 -13.073 63 HB2 ALA 11 2HB ALA 11 -0.445 6.027 -13.685 64 HB3 ALA 11 3HB ALA 11 -1.660 6.651 -14.802 65 H ALA 12 H ALA 12 -3.772 2.813 -14.010 66 HA ALA 12 HA ALA 12 -5.803 4.114 -15.573 67 HB1 ALA 12 1HB ALA 12 -7.053 1.939 -14.565 68 HB2 ALA 12 2HB ALA 12 -6.026 1.916 -15.999 69 HB3 ALA 12 3HB ALA 12 -5.367 1.438 -14.435 70 H THR 13 H THR 13 -5.106 3.697 -12.198 71 HA THR 13 HA THR 13 -7.565 5.180 -11.547 72 HB THR 13 HB THR 13 -6.372 2.908 -9.948 73 HG1 THR 13 1HG THR 13 -8.992 3.102 -11.022 74 HG21 THR 13 3HG2 THR 13 -7.167 4.186 -8.237 75 HG22 THR 13 1HG2 THR 13 -8.677 3.403 -8.703 76 HG23 THR 13 2HG2 THR 13 -8.321 5.037 -9.263 77 H GLY 14 H GLY 14 -4.362 4.213 -10.317 78 HA2 GLY 14 2HA GLY 14 -2.806 6.080 -9.839 79 HA3 GLY 14 3HA GLY 14 -4.167 6.890 -9.076 80 H ALA 15 H ALA 15 -4.781 6.325 -7.006 81 HA ALA 15 HA ALA 15 -2.766 5.291 -5.322 82 HB1 ALA 15 1HB ALA 15 -4.943 6.830 -4.917 83 HB2 ALA 15 2HB ALA 15 -5.520 5.290 -4.279 84 HB3 ALA 15 3HB ALA 15 -4.055 6.022 -3.624 85 H LEU 16 H LEU 16 -5.572 3.847 -6.842 86 HA LEU 16 HA LEU 16 -5.654 1.474 -5.311 87 HB3 LEU 16 2HB LEU 16 -6.461 1.506 -8.182 88 HG LEU 16 HG LEU 16 -8.459 0.370 -7.457 89 HD11 LEU 16 1HD1 LEU 16 -6.040 -0.749 -7.585 90 HD12 LEU 16 2HD1 LEU 16 -7.498 -1.664 -7.201 91 HD13 LEU 16 3HD1 LEU 16 -6.431 -1.121 -5.906 92 HD21 LEU 16 3HD2 LEU 16 -7.386 0.842 -4.683 93 HD22 LEU 16 1HD2 LEU 16 -8.665 -0.315 -5.052 94 HD23 LEU 16 2HD2 LEU 16 -8.914 1.402 -5.364 95 H GLU 17 H GLU 17 -4.151 2.218 -8.447 96 HA GLU 17 HA GLU 17 -3.003 -0.376 -8.745 97 HB3 GLU 17 2HB GLU 17 -3.289 1.951 -10.332 98 HG3 GLU 17 2HG GLU 17 -0.909 2.416 -9.607 99 H LEU 18 H LEU 18 -1.938 2.661 -7.366 100 HA LEU 18 HA LEU 18 0.807 2.188 -7.215 101 HB3 LEU 18 2HB LEU 18 -1.031 3.726 -5.391 102 HG LEU 18 HG LEU 18 1.885 3.372 -5.170 103 HD11 LEU 18 1HD1 LEU 18 0.931 5.869 -6.019 104 HD12 LEU 18 2HD1 LEU 18 2.529 5.481 -5.385 105 HD13 LEU 18 3HD1 LEU 18 1.257 6.026 -4.293 106 HD21 LEU 18 3HD2 LEU 18 0.605 2.727 -3.313 107 HD22 LEU 18 1HD2 LEU 18 -0.389 4.183 -3.385 108 HD23 LEU 18 2HD2 LEU 18 1.294 4.290 -2.866 109 H VAL 19 H VAL 19 -1.709 1.530 -4.777 110 HA VAL 19 HA VAL 19 -0.034 0.321 -2.885 111 HB VAL 19 HB VAL 19 -2.964 0.311 -3.393 112 HG11 VAL 19 1HG1 VAL 19 -3.240 -1.261 -1.438 113 HG12 VAL 19 2HG1 VAL 19 -2.705 -2.002 -2.948 114 HG13 VAL 19 3HG1 VAL 19 -1.545 -1.694 -1.656 115 HG21 VAL 19 3HG2 VAL 19 -2.731 1.927 -1.876 116 HG22 VAL 19 1HG2 VAL 19 -2.407 0.659 -0.694 117 HG23 VAL 19 2HG2 VAL 19 -1.069 1.452 -1.526 118 H ARG 20 H ARG 20 -2.174 -1.223 -5.285 119 HA ARG 20 HA ARG 20 -1.424 -3.858 -4.778 120 HB3 ARG 20 2HB ARG 20 -2.209 -4.288 -7.137 121 HG3 ARG 20 2HG ARG 20 -3.979 -2.618 -5.369 122 HD3 ARG 20 2HD ARG 20 -4.876 -2.563 -7.609 123 HE ARG 20 HE ARG 20 -5.040 -5.464 -7.833 124 HH11 ARG 20 1HH1 ARG 20 -3.572 -2.482 -8.866 125 HH12 ARG 20 2HH1 ARG 20 -2.940 -3.149 -10.334 126 HH21 ARG 20 1HH2 ARG 20 -4.213 -6.355 -9.763 127 HH22 ARG 20 2HH2 ARG 20 -3.306 -5.352 -10.845 128 H HIS 21 H HIS 21 0.013 -1.437 -6.901 129 HA HIS 21 HA HIS 21 1.824 -3.120 -8.237 130 HB3 HIS 21 2HB HIS 21 2.183 -0.191 -7.570 131 HD1 HIS 21 1HD HIS 21 3.155 -2.895 -10.058 132 HD2 HIS 21 2HD HIS 21 4.391 0.851 -8.754 133 HE1 HIS 21 1HE HIS 21 5.329 -2.455 -11.242 134 H LEU 22 H LEU 22 2.451 -0.899 -5.515 135 HA LEU 22 HA LEU 22 5.061 -1.705 -5.001 136 HB3 LEU 22 2HB LEU 22 4.829 -0.675 -2.852 137 HG LEU 22 HG LEU 22 3.461 0.720 -5.082 138 HD11 LEU 22 1HD1 LEU 22 1.958 1.231 -3.257 139 HD12 LEU 22 2HD1 LEU 22 2.941 2.644 -3.640 140 HD13 LEU 22 3HD1 LEU 22 3.319 1.665 -2.222 141 HD21 LEU 22 3HD2 LEU 22 5.907 0.962 -3.437 142 HD22 LEU 22 1HD2 LEU 22 5.186 2.464 -4.017 143 HD23 LEU 22 2HD2 LEU 22 5.668 1.215 -5.167 144 H VAL 23 H VAL 23 2.020 -2.926 -3.640 145 HA VAL 23 HA VAL 23 3.145 -4.775 -1.852 146 HB VAL 23 HB VAL 23 0.481 -4.898 -3.270 147 HG11 VAL 23 1HG1 VAL 23 1.406 -6.352 -0.795 148 HG12 VAL 23 2HG1 VAL 23 -0.207 -6.424 -1.509 149 HG13 VAL 23 3HG1 VAL 23 1.177 -7.080 -2.384 150 HG21 VAL 23 3HG2 VAL 23 -0.428 -3.651 -1.564 151 HG22 VAL 23 1HG2 VAL 23 0.846 -4.086 -0.424 152 HG23 VAL 23 2HG2 VAL 23 1.168 -2.912 -1.701 153 H ALA 24 H ALA 24 2.121 -5.121 -5.227 154 HA ALA 24 HA ALA 24 2.551 -7.881 -5.471 155 HB1 ALA 24 1HB ALA 24 2.786 -7.356 -7.935 156 HB2 ALA 24 2HB ALA 24 1.297 -6.811 -7.162 157 HB3 ALA 24 3HB ALA 24 2.589 -5.659 -7.497 158 H GLU 25 H GLU 25 4.709 -5.142 -6.177 159 HA GLU 25 HA GLU 25 6.889 -6.643 -7.095 160 HB3 GLU 25 2HB GLU 25 8.230 -4.657 -6.684 161 HG3 GLU 25 2HG GLU 25 5.476 -4.188 -7.737 162 H ARG 26 H ARG 26 5.707 -6.042 -3.898 163 HA ARG 26 HA ARG 26 8.134 -6.723 -2.533 164 HB3 ARG 26 2HB ARG 26 6.428 -6.988 -0.572 165 HG3 ARG 26 2HG ARG 26 5.995 -4.325 -0.870 166 HD3 ARG 26 2HD ARG 26 7.384 -5.802 0.814 167 HE ARG 26 HE ARG 26 9.373 -5.237 -1.124 168 HH11 ARG 26 1HH1 ARG 26 8.832 -5.350 2.313 169 HH12 ARG 26 2HH1 ARG 26 10.490 -5.685 2.694 170 HH21 ARG 26 1HH2 ARG 26 11.557 -5.676 -0.636 171 HH22 ARG 26 2HH2 ARG 26 12.038 -5.869 1.015 172 H ALA 27 H ALA 27 5.531 -8.479 -3.934 173 HA ALA 27 HA ALA 27 6.209 -10.912 -2.452 174 HB1 ALA 27 1HB ALA 27 4.218 -11.830 -3.780 175 HB2 ALA 27 2HB ALA 27 3.891 -10.647 -2.512 176 HB3 ALA 27 3HB ALA 27 3.899 -10.148 -4.204 177 H GLU 28 H GLU 28 7.522 -9.413 -4.935 178 HA GLU 28 HA GLU 28 8.811 -10.029 -6.706 179 HB3 GLU 28 2HB GLU 28 8.545 -12.905 -5.897 180 HG3 GLU 28 2HG GLU 28 10.013 -12.071 -7.830 181 H LEU 29 H LEU 29 6.627 -9.445 -7.749 182 HA LEU 29 HA LEU 29 5.980 -11.594 -9.617 183 HB3 LEU 29 2HB LEU 29 3.526 -10.792 -9.410 184 HG LEU 29 HG LEU 29 4.726 -12.499 -7.233 185 HD11 LEU 29 1HD1 LEU 29 2.758 -12.479 -6.217 186 HD12 LEU 29 2HD1 LEU 29 2.013 -13.120 -7.681 187 HD13 LEU 29 3HD1 LEU 29 2.110 -11.377 -7.432 188 HD21 LEU 29 3HD2 LEU 29 4.497 -14.266 -8.615 189 HD22 LEU 29 1HD2 LEU 29 4.626 -13.034 -9.870 190 HD23 LEU 29 2HD2 LEU 29 3.040 -13.625 -9.373 191 HA PRO 30 HA PRO 30 6.015 -8.436 -12.662 192 HB3 PRO 30 2HB PRO 30 5.638 -10.075 -14.227 193 HG3 PRO 30 2HG PRO 30 4.210 -11.855 -13.779 194 HD3 PRO 30 2HD PRO 30 5.530 -11.920 -11.891 195 H VAL 31 H VAL 31 3.563 -8.674 -10.477 196 HA VAL 31 HA VAL 31 2.080 -7.104 -9.712 197 HB VAL 31 HB VAL 31 2.838 -5.501 -12.160 198 HG11 VAL 31 1HG1 VAL 31 0.612 -5.001 -11.070 199 HG12 VAL 31 2HG1 VAL 31 1.524 -4.508 -9.642 200 HG13 VAL 31 3HG1 VAL 31 1.745 -3.654 -11.170 201 HG21 VAL 31 3HG2 VAL 31 3.742 -4.623 -9.510 202 HG22 VAL 31 1HG2 VAL 31 4.472 -6.125 -10.079 203 HG23 VAL 31 2HG2 VAL 31 4.601 -4.658 -11.049 204 H GLU 32 H GLU 32 2.007 -7.715 -13.200 205 HA GLU 32 HA GLU 32 -0.698 -7.180 -13.648 206 HB3 GLU 32 2HB GLU 32 1.050 -7.562 -15.405 207 HG3 GLU 32 2HG GLU 32 1.334 -10.063 -14.192 208 H VAL 33 H VAL 33 0.788 -9.726 -11.934 209 HA VAL 33 HA VAL 33 -1.487 -11.528 -12.206 210 HB VAL 33 HB VAL 33 -0.225 -13.132 -10.974 211 HG11 VAL 33 1HG1 VAL 33 0.840 -13.494 -12.893 212 HG12 VAL 33 2HG1 VAL 33 0.904 -11.768 -13.254 213 HG13 VAL 33 3HG1 VAL 33 2.162 -12.511 -12.266 214 HG21 VAL 33 3HG2 VAL 33 1.140 -10.761 -9.948 215 HG22 VAL 33 1HG2 VAL 33 0.899 -12.343 -9.205 216 HG23 VAL 33 2HG2 VAL 33 2.227 -12.093 -10.339 217 H LEU 34 H LEU 34 -0.712 -8.886 -10.357 218 HA LEU 34 HA LEU 34 -1.594 -9.696 -7.787 219 HB3 LEU 34 2HB LEU 34 -1.944 -6.882 -8.658 220 HG LEU 34 HG LEU 34 -0.571 -6.402 -6.621 221 HD11 LEU 34 1HD1 LEU 34 -2.396 -7.072 -5.026 222 HD12 LEU 34 2HD1 LEU 34 -3.157 -7.919 -6.371 223 HD13 LEU 34 3HD1 LEU 34 -2.924 -6.173 -6.448 224 HD21 LEU 34 3HD2 LEU 34 0.295 -8.010 -5.310 225 HD22 LEU 34 1HD2 LEU 34 0.174 -9.005 -6.761 226 HD23 LEU 34 2HD2 LEU 34 -1.088 -9.081 -5.531 227 H ARG 35 H ARG 35 -3.578 -10.204 -7.167 228 HA ARG 35 HA ARG 35 -5.847 -9.460 -8.839 229 HB3 ARG 35 2HB ARG 35 -6.413 -11.013 -6.424 230 HG3 ARG 35 2HG ARG 35 -7.913 -10.833 -8.412 231 HD3 ARG 35 2HD ARG 35 -5.767 -11.279 -9.931 232 HE ARG 35 HE ARG 35 -6.384 -13.893 -9.085 233 HH11 ARG 35 1HH1 ARG 35 -5.690 -12.078 -11.973 234 HH12 ARG 35 2HH1 ARG 35 -5.020 -13.432 -12.821 235 HH21 ARG 35 1HH2 ARG 35 -5.503 -15.685 -10.189 236 HH22 ARG 35 2HH2 ARG 35 -4.915 -15.483 -11.806 237 H ASP 36 H ASP 36 -7.819 -8.623 -7.873 238 HA ASP 36 HA ASP 36 -7.280 -6.415 -6.140 239 HB3 ASP 36 2HB ASP 36 -9.433 -5.686 -6.626 240 H ASP 37 H ASP 37 -8.420 -9.648 -5.710 241 HA ASP 37 HA ASP 37 -9.240 -9.053 -2.952 242 HB3 ASP 37 2HB ASP 37 -10.324 -11.263 -2.983 243 H SER 38 H SER 38 -6.454 -9.439 -4.159 244 HA SER 38 HA SER 38 -5.447 -11.857 -3.017 245 HB3 SER 38 2HB SER 38 -4.369 -9.579 -4.525 246 HG SER 38 HG SER 38 -2.252 -10.793 -3.462 247 H ARG 39 H ARG 39 -5.401 -12.166 -0.892 248 HA ARG 39 HA ARG 39 -5.391 -10.070 1.018 249 HB3 ARG 39 2HB ARG 39 -5.360 -11.770 2.670 250 HG3 ARG 39 2HG ARG 39 -6.578 -13.359 0.463 251 HD3 ARG 39 2HD ARG 39 -6.658 -13.395 3.264 252 HE ARG 39 HE ARG 39 -8.494 -12.123 3.730 253 HH11 ARG 39 1HH1 ARG 39 -9.029 -13.810 0.732 254 HH12 ARG 39 2HH1 ARG 39 -10.679 -13.299 0.588 255 HH21 ARG 39 1HH2 ARG 39 -10.665 -11.444 3.552 256 HH22 ARG 39 2HH2 ARG 39 -11.608 -11.953 2.192 257 H PHE 40 H PHE 40 -3.749 -9.738 2.686 258 HA PHE 40 HA PHE 40 -1.123 -9.541 1.492 259 HB3 PHE 40 2HB PHE 40 -0.543 -8.242 3.486 260 HD1 PHE 40 1HD PHE 40 -0.864 -7.187 1.029 261 HD2 PHE 40 2HD PHE 40 -3.722 -7.092 4.181 262 HE1 PHE 40 1HE PHE 40 -1.917 -5.210 0.010 263 HE2 PHE 40 2HE PHE 40 -4.780 -5.116 3.167 264 HZ PHE 40 HZ PHE 40 -3.879 -4.173 1.078 265 H LEU 41 H LEU 41 -2.493 -12.109 2.604 266 HA LEU 41 HA LEU 41 -0.037 -13.211 3.690 267 HB3 LEU 41 2HB LEU 41 -0.940 -14.041 5.693 268 HG LEU 41 HG LEU 41 -0.686 -11.410 5.579 269 HD11 LEU 41 1HD1 LEU 41 -3.622 -11.797 6.139 270 HD12 LEU 41 2HD1 LEU 41 -2.929 -10.994 4.732 271 HD13 LEU 41 3HD1 LEU 41 -2.723 -10.293 6.337 272 HD21 LEU 41 3HD2 LEU 41 -0.239 -11.959 7.687 273 HD22 LEU 41 1HD2 LEU 41 -1.349 -13.329 7.636 274 HD23 LEU 41 2HD2 LEU 41 -1.952 -11.720 8.033 275 H ASP 42 H ASP 42 -3.414 -13.769 2.792 276 HA ASP 42 HA ASP 42 -3.336 -16.540 2.523 277 HB3 ASP 42 2HB ASP 42 -4.919 -14.715 0.715 278 H ASP 43 H ASP 43 -2.754 -14.046 0.051 279 HA ASP 43 HA ASP 43 -1.471 -16.112 -1.610 280 HB3 ASP 43 2HB ASP 43 -1.880 -13.802 -3.167 281 H LEU 44 H LEU 44 -1.230 -12.660 -0.761 282 HA LEU 44 HA LEU 44 1.355 -12.282 -1.808 283 HB3 LEU 44 2HB LEU 44 1.402 -10.240 -0.479 284 HG LEU 44 HG LEU 44 -1.326 -10.725 -1.668 285 HD11 LEU 44 1HD1 LEU 44 -1.213 -8.123 -1.754 286 HD12 LEU 44 2HD1 LEU 44 -0.114 -8.316 -0.389 287 HD13 LEU 44 3HD1 LEU 44 -1.763 -8.935 -0.288 288 HD21 LEU 44 3HD2 LEU 44 0.675 -10.841 -3.172 289 HD22 LEU 44 1HD2 LEU 44 1.008 -9.162 -2.752 290 HD23 LEU 44 2HD2 LEU 44 -0.489 -9.581 -3.582 291 H HIS 45 H HIS 45 0.232 -13.706 1.127 292 HA HIS 45 HA HIS 45 1.284 -14.519 2.983 293 HB3 HIS 45 2HB HIS 45 3.666 -14.953 1.189 294 HD1 HIS 45 1HD HIS 45 3.077 -15.033 4.487 295 HD2 HIS 45 2HD HIS 45 3.814 -18.140 1.830 296 HE1 HIS 45 1HE HIS 45 3.946 -16.928 5.893 297 H MET 46 H MET 46 1.339 -11.936 3.277 298 HA MET 46 HA MET 46 4.125 -11.222 3.913 299 HB3 MET 46 2HB MET 46 3.605 -8.940 3.578 300 HG3 MET 46 2HG MET 46 2.074 -9.068 1.385 301 HE1 MET 46 3HE MET 46 3.006 -7.499 0.454 302 HE2 MET 46 1HE MET 46 4.708 -7.035 0.462 303 HE3 MET 46 2HE MET 46 4.056 -7.971 -0.883 304 H SER 47 H SER 47 4.643 -11.012 5.988 305 HA SER 47 HA SER 47 2.704 -11.464 8.033 306 HB3 SER 47 2HB SER 47 4.548 -11.346 9.576 307 HG SER 47 HG SER 47 5.078 -13.178 8.701 308 H SER 48 H SER 48 2.301 -10.045 9.856 309 HA SER 48 HA SER 48 1.276 -7.594 9.207 310 HB3 SER 48 2HB SER 48 1.239 -9.046 11.449 311 HG SER 48 HG SER 48 2.315 -7.723 13.070 312 H ILE 49 H ILE 49 4.554 -8.346 10.250 313 HA ILE 49 HA ILE 49 5.387 -5.615 10.438 314 HB ILE 49 HB ILE 49 7.072 -8.111 10.194 315 HG13 ILE 49 2HG1 ILE 49 5.695 -6.778 12.465 316 HG21 ILE 49 1HG2 ILE 49 8.186 -5.804 11.587 317 HG22 ILE 49 2HG2 ILE 49 8.909 -6.850 10.366 318 HG23 ILE 49 3HG2 ILE 49 7.873 -5.509 9.878 319 HD11 ILE 49 3HD1 ILE 49 6.118 -9.483 11.486 320 HD12 ILE 49 1HD1 ILE 49 6.369 -9.319 13.223 321 HD13 ILE 49 2HD1 ILE 49 4.835 -8.828 12.503 322 H THR 50 H THR 50 5.639 -8.151 7.991 323 HA THR 50 HA THR 50 7.323 -6.779 6.205 324 HB THR 50 HB THR 50 5.233 -8.887 5.625 325 HG1 THR 50 1HG THR 50 6.980 -9.516 7.027 326 HG21 THR 50 3HG2 THR 50 6.002 -7.447 3.665 327 HG22 THR 50 1HG2 THR 50 6.202 -9.191 3.497 328 HG23 THR 50 2HG2 THR 50 7.590 -8.177 3.895 329 H VAL 51 H VAL 51 3.816 -6.811 6.584 330 HA VAL 51 HA VAL 51 3.149 -5.411 4.244 331 HB VAL 51 HB VAL 51 1.612 -5.135 6.814 332 HG11 VAL 51 1HG1 VAL 51 1.002 -4.969 3.895 333 HG12 VAL 51 2HG1 VAL 51 -0.270 -5.416 5.033 334 HG13 VAL 51 3HG1 VAL 51 0.559 -3.868 5.199 335 HG21 VAL 51 3HG2 VAL 51 0.571 -7.316 5.402 336 HG22 VAL 51 1HG2 VAL 51 2.313 -7.578 5.470 337 HG23 VAL 51 2HG2 VAL 51 1.398 -7.344 6.958 338 H GLY 52 H GLY 52 3.677 -4.223 7.563 339 HA2 GLY 52 2HA GLY 52 3.230 -1.513 7.064 340 HA3 GLY 52 3HA GLY 52 4.246 -2.145 8.351 341 H GLN 53 H GLN 53 5.989 -3.497 6.328 342 HA GLN 53 HA GLN 53 7.906 -1.436 6.067 343 HB3 GLN 53 2HB GLN 53 9.236 -3.069 4.849 344 HG3 GLN 53 2HG GLN 53 8.445 -5.163 6.460 345 HE21 GLN 53 1HE2 GLN 53 9.497 -4.007 8.949 346 HE22 GLN 53 2HE2 GLN 53 11.183 -3.757 8.670 347 H LEU 54 H LEU 54 5.808 -3.045 3.694 348 HA LEU 54 HA LEU 54 6.693 -1.304 1.566 349 HB3 LEU 54 2HB LEU 54 5.853 -3.789 1.477 350 HG LEU 54 HG LEU 54 3.465 -2.958 2.234 351 HD11 LEU 54 1HD1 LEU 54 3.618 -1.440 0.044 352 HD12 LEU 54 2HD1 LEU 54 2.096 -2.080 0.662 353 HD13 LEU 54 3HD1 LEU 54 2.918 -2.893 -0.670 354 HD21 LEU 54 3HD2 LEU 54 2.612 -4.791 0.487 355 HD22 LEU 54 1HD2 LEU 54 3.536 -5.203 1.932 356 HD23 LEU 54 2HD2 LEU 54 4.350 -5.081 0.371 357 H VAL 55 H VAL 55 3.990 -1.538 3.771 358 HA VAL 55 HA VAL 55 2.162 0.143 2.499 359 HB VAL 55 HB VAL 55 2.094 -1.248 4.799 360 HG11 VAL 55 1HG1 VAL 55 2.126 0.080 6.722 361 HG12 VAL 55 2HG1 VAL 55 3.549 0.602 5.817 362 HG13 VAL 55 3HG1 VAL 55 2.081 1.580 5.797 363 HG21 VAL 55 3HG2 VAL 55 -0.069 -0.167 5.237 364 HG22 VAL 55 1HG2 VAL 55 0.365 1.130 4.123 365 HG23 VAL 55 2HG2 VAL 55 0.157 -0.515 3.523 366 H ASN 56 H ASN 56 5.061 0.870 4.290 367 HA ASN 56 HA ASN 56 4.512 3.616 4.770 368 HB3 ASN 56 2HB ASN 56 7.290 3.344 4.637 369 HD21 ASN 56 1HD2 ASN 56 6.711 1.603 7.296 370 HD22 ASN 56 2HD2 ASN 56 6.362 2.862 8.426 371 H GLU 57 H GLU 57 5.959 1.840 2.115 372 HA GLU 57 HA GLU 57 7.023 4.094 0.753 373 HB3 GLU 57 2HB GLU 57 6.162 1.607 -0.677 374 HG3 GLU 57 2HG GLU 57 7.459 3.583 -1.725 375 H ALA 58 H ALA 58 3.927 2.427 0.675 376 HA ALA 58 HA ALA 58 2.873 3.676 -1.620 377 HB1 ALA 58 1HB ALA 58 1.860 2.023 0.566 378 HB2 ALA 58 2HB ALA 58 0.672 3.156 -0.084 379 HB3 ALA 58 3HB ALA 58 1.467 2.000 -1.154 380 H ALA 59 H ALA 59 2.409 4.432 1.833 381 HA ALA 59 HA ALA 59 0.804 6.678 1.532 382 HB1 ALA 59 1HB ALA 59 2.092 5.366 3.647 383 HB2 ALA 59 2HB ALA 59 2.608 7.051 3.733 384 HB3 ALA 59 3HB ALA 59 0.889 6.654 3.749 385 H ARG 60 H ARG 60 4.334 6.416 1.529 386 HA ARG 60 HA ARG 60 4.960 9.133 1.508 387 HB3 ARG 60 2HB ARG 60 6.637 7.335 -0.151 388 HG3 ARG 60 2HG ARG 60 8.311 8.160 1.672 389 HD3 ARG 60 2HD ARG 60 7.724 8.961 -0.860 390 HE ARG 60 HE ARG 60 6.673 11.034 0.629 391 HH11 ARG 60 1HH1 ARG 60 9.167 10.620 -1.764 392 HH12 ARG 60 2HH1 ARG 60 9.005 12.223 -2.400 393 HH21 ARG 60 1HH2 ARG 60 6.448 13.146 -0.201 394 HH22 ARG 60 2HH2 ARG 60 7.458 13.659 -1.510 395 H ALA 61 H ALA 61 4.226 6.936 -1.168 396 HA ALA 61 HA ALA 61 4.715 8.825 -3.231 397 HB1 ALA 61 1HB ALA 61 3.353 7.206 -4.622 398 HB2 ALA 61 2HB ALA 61 4.789 6.546 -3.838 399 HB3 ALA 61 3HB ALA 61 3.192 6.234 -3.159 400 H MET 62 H MET 62 1.816 7.842 -1.461 401 HA MET 62 HA MET 62 0.018 9.414 -3.014 402 HB3 MET 62 2HB MET 62 -1.602 8.944 -1.226 403 HG3 MET 62 2HG MET 62 -1.659 6.558 -1.299 404 HE1 MET 62 3HE MET 62 -3.316 7.984 -2.697 405 HE2 MET 62 1HE MET 62 -2.351 9.237 -3.478 406 HE3 MET 62 2HE MET 62 -3.270 8.095 -4.458 407 H GLY 63 H GLY 63 2.343 10.221 -0.717 408 HA2 GLY 63 2HA GLY 63 2.928 12.388 -0.068 409 HA3 GLY 63 3HA GLY 63 1.359 12.954 -0.624 410 H LEU 64 H LEU 64 2.016 10.323 1.645 411 HA LEU 64 HA LEU 64 0.423 11.767 3.644 412 HB3 LEU 64 2HB LEU 64 -0.009 9.642 4.667 413 HG LEU 64 HG LEU 64 -0.240 8.907 1.771 414 HD11 LEU 64 1HD1 LEU 64 -2.217 8.588 4.011 415 HD12 LEU 64 2HD1 LEU 64 -0.958 7.399 3.677 416 HD13 LEU 64 3HD1 LEU 64 -2.178 7.759 2.455 417 HD21 LEU 64 3HD2 LEU 64 -2.323 10.229 1.693 418 HD22 LEU 64 1HD2 LEU 64 -0.882 11.234 1.852 419 HD23 LEU 64 2HD2 LEU 64 -1.907 10.936 3.255 420 H SER 65 H SER 65 1.186 10.432 5.926 421 HA SER 65 HA SER 65 4.035 10.468 6.255 422 HB3 SER 65 2HB SER 65 2.368 12.749 7.319 423 HG SER 65 HG SER 65 4.458 13.276 8.379 424 H ALA 66 H ALA 66 1.455 11.369 8.521 425 HA ALA 66 HA ALA 66 2.295 9.331 10.372 426 HB1 ALA 66 1HB ALA 66 0.843 10.308 11.914 427 HB2 ALA 66 2HB ALA 66 1.398 11.667 10.935 428 HB3 ALA 66 3HB ALA 66 -0.198 10.972 10.653 429 H VAL 67 H VAL 67 0.189 9.433 7.738 430 HA VAL 67 HA VAL 67 -1.895 7.742 8.586 431 HB VAL 67 HB VAL 67 -0.757 8.075 5.807 432 HG11 VAL 67 1HG1 VAL 67 -3.163 6.669 6.871 433 HG12 VAL 67 2HG1 VAL 67 -3.239 7.437 5.284 434 HG13 VAL 67 3HG1 VAL 67 -2.044 6.179 5.600 435 HG21 VAL 67 3HG2 VAL 67 -1.456 10.203 6.428 436 HG22 VAL 67 1HG2 VAL 67 -2.877 9.540 5.621 437 HG23 VAL 67 2HG2 VAL 67 -2.806 9.589 7.382 438 H ALA 68 H ALA 68 1.386 7.104 8.048 439 HA ALA 68 HA ALA 68 1.676 4.673 6.943 440 HB1 ALA 68 1HB ALA 68 2.994 4.798 9.561 441 HB2 ALA 68 2HB ALA 68 3.683 4.611 7.948 442 HB3 ALA 68 3HB ALA 68 3.244 6.213 8.541 443 H MET 69 H MET 69 0.376 2.962 7.060 444 HA MET 69 HA MET 69 -0.755 1.173 7.895 445 HB3 MET 69 2HB MET 69 -0.053 0.204 9.898 446 HG3 MET 69 2HG MET 69 2.359 1.859 9.856 447 HE1 MET 69 3HE MET 69 1.014 -1.174 8.126 448 HE2 MET 69 1HE MET 69 1.961 -2.537 8.722 449 HE3 MET 69 2HE MET 69 0.605 -1.925 9.669 450 HA PRO 70 HA PRO 70 -4.011 4.060 9.427 451 HB3 PRO 70 2HB PRO 70 -4.724 4.435 7.275 452 HG3 PRO 70 2HG PRO 70 -4.297 2.897 5.584 453 HD3 PRO 70 2HD PRO 70 -2.182 3.104 6.475 454 H THR 71 H THR 71 -3.775 0.629 8.984 455 HA THR 71 HA THR 71 -5.048 0.010 11.402 456 HB THR 71 HB THR 71 -7.124 0.644 10.306 457 HG1 THR 71 1HG THR 71 -7.744 -0.990 11.517 458 HG21 THR 71 3HG2 THR 71 -5.996 -0.216 7.993 459 HG22 THR 71 1HG2 THR 71 -7.722 0.074 8.204 460 HG23 THR 71 2HG2 THR 71 -7.077 -1.561 8.356 461 H ASN 72 H ASN 72 -5.473 -2.387 11.609 462 HA ASN 72 HA ASN 72 -3.255 -3.868 10.980 463 HB3 ASN 72 2HB ASN 72 -5.972 -5.153 11.175 464 HD21 ASN 72 1HD2 ASN 72 -5.905 -7.189 12.128 465 HD22 ASN 72 2HD2 ASN 72 -4.438 -8.092 12.253 466 H PHE 73 H PHE 73 -2.652 -5.292 9.378 467 HA PHE 73 HA PHE 73 -4.333 -5.311 6.958 468 HB3 PHE 73 2HB PHE 73 -2.088 -5.494 5.720 469 HD1 PHE 73 2HD PHE 73 -4.082 -3.991 4.872 470 HD2 PHE 73 1HD PHE 73 -1.021 -2.703 7.535 471 HE1 PHE 73 2HE PHE 73 -4.526 -1.653 4.246 472 HE2 PHE 73 1HE PHE 73 -1.460 -0.363 6.914 473 HZ PHE 73 HZ PHE 73 -3.213 0.164 5.266 474 H ALA 74 H ALA 74 -2.898 -7.128 9.356 475 HA ALA 74 HA ALA 74 -2.069 -9.434 7.954 476 HB1 ALA 74 1HB ALA 74 -3.176 -9.486 10.742 477 HB2 ALA 74 2HB ALA 74 -1.908 -10.487 10.037 478 HB3 ALA 74 3HB ALA 74 -1.597 -8.786 10.383 479 H THR 75 H THR 75 -5.113 -8.113 8.287 480 HA THR 75 HA THR 75 -6.357 -10.656 7.515 481 HB THR 75 HB THR 75 -6.913 -10.360 9.867 482 HG1 THR 75 1HG THR 75 -8.712 -11.197 9.113 483 HG21 THR 75 3HG2 THR 75 -6.873 -7.662 9.322 484 HG22 THR 75 1HG2 THR 75 -7.448 -8.400 10.816 485 HG23 THR 75 2HG2 THR 75 -8.591 -7.996 9.535 486 H ALA 76 H ALA 76 -5.564 -7.783 6.459 487 HA ALA 76 HA ALA 76 -8.147 -7.122 5.227 488 HB1 ALA 76 1HB ALA 76 -7.336 -4.961 4.830 489 HB2 ALA 76 2HB ALA 76 -6.730 -5.373 6.434 490 HB3 ALA 76 3HB ALA 76 -5.657 -5.457 5.037 491 H THR 77 H THR 77 -7.657 -6.038 2.918 492 HA THR 77 HA THR 77 -5.984 -7.929 1.400 493 HB THR 77 HB THR 77 -7.834 -7.468 -0.444 494 HG1 THR 77 1HG THR 77 -9.180 -6.153 0.769 495 HG21 THR 77 3HG2 THR 77 -7.269 -9.561 1.387 496 HG22 THR 77 1HG2 THR 77 -8.025 -9.673 -0.201 497 HG23 THR 77 2HG2 THR 77 -9.021 -9.440 1.235 498 H VAL 78 H VAL 78 -5.605 -7.110 -0.893 499 HA VAL 78 HA VAL 78 -4.189 -4.738 -0.853 500 HB VAL 78 HB VAL 78 -4.124 -4.836 -3.275 501 HG11 VAL 78 1HG1 VAL 78 -2.623 -6.431 -2.883 502 HG12 VAL 78 2HG1 VAL 78 -3.579 -7.095 -1.556 503 HG13 VAL 78 3HG1 VAL 78 -3.896 -7.606 -3.215 504 HG21 VAL 78 3HG2 VAL 78 -6.449 -5.250 -3.760 505 HG22 VAL 78 1HG2 VAL 78 -5.472 -6.519 -4.496 506 HG23 VAL 78 2HG2 VAL 78 -6.361 -6.842 -3.008 507 H ARG 79 H ARG 79 -7.559 -5.301 -1.711 508 HA ARG 79 HA ARG 79 -8.086 -2.724 -2.746 509 HB3 ARG 79 2HB ARG 79 -10.179 -4.377 -1.372 510 HG3 ARG 79 2HG ARG 79 -10.652 -2.180 -2.613 511 HD3 ARG 79 2HD ARG 79 -9.261 -3.380 -4.633 512 HE ARG 79 HE ARG 79 -11.677 -4.594 -4.916 513 HH11 ARG 79 1HH1 ARG 79 -9.889 -2.263 -6.783 514 HH12 ARG 79 2HH1 ARG 79 -10.546 -2.780 -8.300 515 HH21 ARG 79 1HH2 ARG 79 -12.550 -5.284 -6.908 516 HH22 ARG 79 2HH2 ARG 79 -12.060 -4.498 -8.370 517 H GLU 80 H GLU 80 -8.240 -4.091 0.497 518 HA GLU 80 HA GLU 80 -9.548 -1.915 1.734 519 HB3 GLU 80 2HB GLU 80 -8.459 -2.871 3.842 520 HG3 GLU 80 2HG GLU 80 -9.977 -4.830 2.135 521 H MET 81 H MET 81 -6.102 -2.754 1.458 522 HA MET 81 HA MET 81 -5.151 -0.486 2.850 523 HB3 MET 81 2HB MET 81 -3.763 -2.205 0.785 524 HG3 MET 81 2HG MET 81 -2.338 -0.768 2.966 525 HE1 MET 81 3HE MET 81 -0.865 -2.418 3.330 526 HE2 MET 81 1HE MET 81 -1.040 -3.732 2.166 527 HE3 MET 81 2HE MET 81 0.498 -2.882 2.310 528 H ALA 82 H ALA 82 -5.643 -1.147 -0.595 529 HA ALA 82 HA ALA 82 -4.580 1.305 -1.530 530 HB1 ALA 82 1HB ALA 82 -5.133 0.581 -3.610 531 HB2 ALA 82 2HB ALA 82 -5.237 -0.962 -2.758 532 HB3 ALA 82 3HB ALA 82 -6.702 -0.041 -3.099 533 H GLU 83 H GLU 83 -7.874 0.252 -0.750 534 HA GLU 83 HA GLU 83 -9.237 2.533 -1.613 535 HB3 GLU 83 2HB GLU 83 -10.855 1.805 0.334 536 HG3 GLU 83 2HG GLU 83 -11.458 -0.310 -1.025 537 H ALA 84 H ALA 84 -7.685 1.810 1.479 538 HA ALA 84 HA ALA 84 -8.567 4.061 2.899 539 HB1 ALA 84 1HB ALA 84 -7.520 2.931 4.495 540 HB2 ALA 84 2HB ALA 84 -6.703 1.926 3.297 541 HB3 ALA 84 3HB ALA 84 -5.979 3.449 3.813 542 H LEU 85 H LEU 85 -5.620 3.556 0.976 543 HA LEU 85 HA LEU 85 -4.617 6.188 1.406 544 HB3 LEU 85 2HB LEU 85 -3.241 5.522 -0.714 545 HG LEU 85 HG LEU 85 -2.965 4.407 2.019 546 HD11 LEU 85 1HD1 LEU 85 -2.516 2.475 0.535 547 HD12 LEU 85 2HD1 LEU 85 -1.096 3.016 1.430 548 HD13 LEU 85 3HD1 LEU 85 -1.274 3.429 -0.275 549 HD21 LEU 85 3HD2 LEU 85 -2.066 6.635 0.864 550 HD22 LEU 85 1HD2 LEU 85 -0.737 5.554 0.444 551 HD23 LEU 85 2HD2 LEU 85 -1.175 5.796 2.135 552 H GLU 86 H GLU 86 -6.587 4.669 -1.081 553 HA GLU 86 HA GLU 86 -6.500 6.772 -2.959 554 HB3 GLU 86 2HB GLU 86 -8.959 5.111 -2.714 555 HG3 GLU 86 2HG GLU 86 -9.042 5.172 -4.975 556 H ALA 87 H ALA 87 -8.594 6.123 -0.202 557 HA ALA 87 HA ALA 87 -10.494 8.150 -0.712 558 HB1 ALA 87 1HB ALA 87 -10.664 7.913 1.946 559 HB2 ALA 87 2HB ALA 87 -11.344 6.728 0.831 560 HB3 ALA 87 3HB ALA 87 -9.777 6.432 1.585 561 H ARG 88 H ARG 88 -7.461 8.112 1.100 562 HA ARG 88 HA ARG 88 -7.630 10.574 2.363 563 HB3 ARG 88 2HB ARG 88 -5.256 10.497 2.583 564 HG3 ARG 88 2HG ARG 88 -5.136 7.691 2.473 565 HD3 ARG 88 2HD ARG 88 -4.176 8.854 4.282 566 HE ARG 88 HE ARG 88 -5.231 10.787 4.883 567 HH11 ARG 88 1HH1 ARG 88 -7.556 8.196 4.867 568 HH12 ARG 88 2HH1 ARG 88 -8.829 9.161 5.537 569 HH21 ARG 88 1HH2 ARG 88 -6.899 12.067 5.766 570 HH22 ARG 88 2HH2 ARG 88 -8.456 11.362 6.047 571 H GLU 89 H GLU 89 -6.108 9.874 -0.787 572 HA GLU 89 HA GLU 89 -5.711 12.626 -1.411 573 HB3 GLU 89 2HB GLU 89 -5.396 11.597 -3.790 574 HG3 GLU 89 2HG GLU 89 -3.414 10.263 -2.135 575 H ARG 90 H ARG 90 -8.240 10.293 -2.051 576 HA ARG 90 HA ARG 90 -9.602 11.655 -4.087 577 HB3 ARG 90 2HB ARG 90 -10.563 9.742 -1.964 578 HG3 ARG 90 2HG ARG 90 -12.089 10.813 -4.326 579 HD3 ARG 90 2HD ARG 90 -12.546 8.421 -2.568 580 HE ARG 90 HE ARG 90 -14.597 10.071 -3.118 581 HH11 ARG 90 1HH1 ARG 90 -13.696 6.945 -4.360 582 HH12 ARG 90 2HH1 ARG 90 -15.327 6.458 -4.681 583 HH21 ARG 90 1HH2 ARG 90 -16.749 9.439 -3.536 584 HH22 ARG 90 2HH2 ARG 90 -17.063 7.877 -4.213 585 H GLU 91 H GLU 91 -9.566 12.090 -0.622 586 HA GLU 91 HA GLU 91 -11.257 14.467 -0.957 587 HB3 GLU 91 2HB GLU 91 -11.501 12.854 1.545 588 HG3 GLU 91 2HG GLU 91 -13.788 14.112 0.140 589 H ALA 92 H ALA 92 -8.608 14.746 -0.993 590 HA ALA 92 HA ALA 92 -7.762 15.410 1.739 591 HB1 ALA 92 1HB ALA 92 -6.409 14.331 -0.519 592 HB2 ALA 92 2HB ALA 92 -5.673 15.883 -0.113 593 HB3 ALA 92 3HB ALA 92 -5.790 14.617 1.109 594 HA PRO 93 HA PRO 93 -8.067 19.750 1.165 595 HB3 PRO 93 2HB PRO 93 -7.216 19.994 3.285 596 HG3 PRO 93 2HG PRO 93 -5.529 18.598 4.068 597 HD3 PRO 93 2HD PRO 93 -7.005 17.022 3.263 598 H HIS 94 H HIS 94 -5.043 18.240 0.195 599 HA HIS 94 HA HIS 94 -4.662 20.388 -1.787 600 HB3 HIS 94 2HB HIS 94 -2.819 20.397 -0.234 601 HD1 HIS 94 1HD HIS 94 -2.006 17.064 -1.841 602 HD2 HIS 94 2HD HIS 94 -2.410 18.776 1.924 603 HE1 HIS 94 1HE HIS 94 -1.238 15.305 -0.216 604 H LEU 95 H LEU 95 -4.045 19.806 -3.892 605 HA LEU 95 HA LEU 95 -4.727 17.036 -4.597 606 HB3 LEU 95 2HB LEU 95 -4.487 18.862 -6.829 607 HG LEU 95 HG LEU 95 -6.869 17.341 -5.770 608 HD11 LEU 95 1HD1 LEU 95 -6.858 19.526 -7.501 609 HD12 LEU 95 2HD1 LEU 95 -8.164 18.368 -7.249 610 HD13 LEU 95 3HD1 LEU 95 -6.994 18.110 -8.542 611 HD21 LEU 95 3HD2 LEU 95 -6.398 16.024 -7.909 612 HD22 LEU 95 1HD2 LEU 95 -5.315 15.769 -6.540 613 HD23 LEU 95 2HD2 LEU 95 -4.811 16.793 -7.885 614 H GLU 96 H GLU 96 -3.229 15.714 -5.403 615 HA GLU 96 HA GLU 96 -1.006 16.650 -6.949 616 HB3 GLU 96 2HB GLU 96 -0.217 17.156 -4.663 617 HG3 GLU 96 2HG GLU 96 -1.439 14.897 -3.833 618 H HIS 97 H HIS 97 -0.498 15.122 -8.377 619 HA HIS 97 HA HIS 97 -0.321 12.360 -7.770 620 HB3 HIS 97 2HB HIS 97 -2.733 13.219 -9.383 621 HD1 HIS 97 1HD HIS 97 -2.515 11.645 -11.359 622 HD2 HIS 97 2HD HIS 97 -2.114 9.729 -7.695 623 HE1 HIS 97 1HE HIS 97 -2.563 9.185 -11.879 624 H HIS 98 H HIS 98 1.510 12.102 -8.893 625 HA HIS 98 HA HIS 98 1.433 12.695 -11.773 626 HB3 HIS 98 2HB HIS 98 3.772 13.409 -11.699 627 HD1 HIS 98 1HD HIS 98 3.243 15.079 -8.524 628 HD2 HIS 98 2HD HIS 98 1.918 15.573 -12.431 629 HE1 HIS 98 1HE HIS 98 2.346 17.426 -8.638 630 H HIS 99 H HIS 99 0.813 10.225 -10.651 631 HA HIS 99 HA HIS 99 3.151 8.532 -10.736 632 HB3 HIS 99 2HB HIS 99 0.301 7.565 -10.776 633 HD1 HIS 99 1HD HIS 99 2.932 6.763 -8.230 634 HD2 HIS 99 2HD HIS 99 1.147 5.028 -11.556 635 HE1 HIS 99 1HE HIS 99 3.676 4.361 -8.215 636 H HIS 100 H HIS 100 3.322 9.701 -13.048 637 HA HIS 100 HA HIS 100 1.900 8.182 -15.088 638 HB3 HIS 100 2HB HIS 100 4.015 10.177 -15.765 639 HD1 HIS 100 1HD HIS 100 3.994 9.473 -18.193 640 HD2 HIS 100 2HD HIS 100 0.199 10.274 -16.702 641 HE1 HIS 100 1HE HIS 100 2.471 9.475 -20.195 642 H HIS 101 H HIS 101 2.700 6.373 -15.905 643 HA HIS 101 HA HIS 101 4.143 4.750 -16.585 644 HB3 HIS 101 2HB HIS 101 6.445 6.663 -16.525 645 HD1 HIS 101 1HD HIS 101 8.288 5.244 -17.345 646 HD2 HIS 101 2HD HIS 101 4.713 4.395 -19.285 647 HE1 HIS 101 1HE HIS 101 8.856 3.503 -19.069 648 H HIS 102 H HIS 102 5.949 3.410 -15.867 649 HA HIS 102 HA HIS 102 6.976 2.254 -14.191 650 HB3 HIS 102 2HB HIS 102 7.804 4.792 -12.867 651 HD1 HIS 102 1HD HIS 102 9.284 3.845 -11.126 652 HD2 HIS 102 2HD HIS 102 9.755 1.917 -14.776 653 HE1 HIS 102 1HE HIS 102 11.163 2.211 -10.785
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