NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
22876 | 2jrm | 15339 | cing | 1-original | 7 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 1H MET 1 18.432 -5.750 16.960 2 2H MET 1 2H MET 1 17.130 -5.029 17.764 3 3H MET 1 3H MET 1 18.579 -4.174 17.564 4 HA MET 1 HA MET 1 16.749 -5.040 15.411 5 1HB MET 1 2HB MET 1 16.266 -2.677 15.095 6 2HB MET 1 1HB MET 1 15.886 -3.152 16.740 7 1HG MET 1 2HG MET 1 18.377 -1.695 15.888 8 2HG MET 1 1HG MET 1 16.946 -0.943 16.587 9 1HE MET 1 1HE MET 1 16.942 -2.386 20.222 10 2HE MET 1 2HE MET 1 16.071 -3.003 18.818 11 3HE MET 1 3HE MET 1 16.171 -1.266 19.097 12 H LYS 2 H LYS 2 17.705 -5.359 13.538 13 HA LYS 2 HA LYS 2 20.093 -3.887 12.778 14 1HB LYS 2 2HB LYS 2 20.856 -5.823 14.184 15 2HB LYS 2 1HB LYS 2 20.138 -6.905 13.001 16 1HG LYS 2 2HG LYS 2 21.670 -5.984 11.293 17 2HG LYS 2 1HG LYS 2 22.432 -5.005 12.553 18 1HD LYS 2 2HD LYS 2 22.916 -7.104 13.803 19 2HD LYS 2 1HD LYS 2 22.287 -8.018 12.433 20 1HE LYS 2 2HE LYS 2 24.690 -7.946 12.304 21 2HE LYS 2 1HE LYS 2 24.007 -6.977 10.997 22 1HZ LYS 2 1HZ LYS 2 25.903 -5.911 12.141 23 2HZ LYS 2 2HZ LYS 2 24.991 -5.858 13.568 24 3HZ LYS 2 3HZ LYS 2 24.484 -4.986 12.208 25 H ARG 3 H ARG 3 17.808 -6.480 12.084 26 HA ARG 3 HA ARG 3 18.196 -6.204 9.205 27 1HB ARG 3 2HB ARG 3 17.903 -8.413 10.461 28 2HB ARG 3 1HB ARG 3 16.218 -7.963 10.663 29 1HG ARG 3 2HG ARG 3 16.403 -9.462 8.810 30 2HG ARG 3 1HG ARG 3 16.005 -7.855 8.196 31 1HD ARG 3 2HD ARG 3 18.306 -7.473 7.585 32 2HD ARG 3 1HD ARG 3 18.785 -9.011 8.304 33 HE ARG 3 HE ARG 3 16.882 -9.652 6.430 34 1HH1 ARG 3 1HH1 ARG 3 19.964 -8.011 6.411 35 2HH1 ARG 3 2HH1 ARG 3 20.374 -8.507 4.799 36 1HH2 ARG 3 1HH2 ARG 3 17.393 -10.291 4.290 37 2HH2 ARG 3 2HH2 ARG 3 18.894 -9.771 3.578 38 H GLN 4 H GLN 4 17.301 -3.838 10.140 39 HA GLN 4 HA GLN 4 14.409 -3.795 10.291 40 1HB GLN 4 2HB GLN 4 16.461 -1.594 10.488 41 2HB GLN 4 1HB GLN 4 14.729 -1.346 10.660 42 1HG GLN 4 2HG GLN 4 14.759 -2.955 12.558 43 2HG GLN 4 1HG GLN 4 16.519 -2.981 12.434 44 1HE2 GLN 4 1HE2 GLN 4 13.734 -1.106 13.285 45 2HE2 GLN 4 2HE2 GLN 4 14.577 0.173 14.095 46 H LYS 5 H LYS 5 16.299 -4.081 7.717 47 HA LYS 5 HA LYS 5 15.295 -2.040 5.997 48 1HB LYS 5 2HB LYS 5 16.686 -4.660 5.544 49 2HB LYS 5 1HB LYS 5 15.995 -3.782 4.188 50 1HG LYS 5 2HG LYS 5 17.946 -2.538 6.103 51 2HG LYS 5 1HG LYS 5 18.444 -3.395 4.642 52 1HD LYS 5 2HD LYS 5 16.565 -1.033 4.699 53 2HD LYS 5 1HD LYS 5 18.290 -0.940 4.333 54 1HE LYS 5 2HE LYS 5 17.957 -2.437 2.421 55 2HE LYS 5 1HE LYS 5 16.235 -2.522 2.789 56 1HZ LYS 5 1HZ LYS 5 16.015 -0.197 2.316 57 2HZ LYS 5 2HZ LYS 5 16.782 -0.934 1.001 58 3HZ LYS 5 3HZ LYS 5 17.686 -0.018 2.107 59 H ARG 6 H ARG 6 14.436 -5.422 6.556 60 HA ARG 6 HA ARG 6 12.244 -5.365 4.726 61 1HB ARG 6 2HB ARG 6 13.611 -7.406 5.509 62 2HB ARG 6 1HB ARG 6 12.594 -7.377 6.940 63 1HG ARG 6 2HG ARG 6 10.626 -7.428 5.287 64 2HG ARG 6 1HG ARG 6 11.831 -7.940 4.103 65 1HD ARG 6 2HD ARG 6 10.952 -9.937 4.959 66 2HD ARG 6 1HD ARG 6 12.487 -9.728 5.805 67 HE ARG 6 HE ARG 6 9.844 -9.111 6.970 68 1HH1 ARG 6 1HH1 ARG 6 13.146 -10.235 7.300 69 2HH1 ARG 6 2HH1 ARG 6 13.007 -10.507 9.014 70 1HH2 ARG 6 1HH2 ARG 6 9.654 -9.448 9.199 71 2HH2 ARG 6 2HH2 ARG 6 11.020 -10.050 10.101 72 H ASP 7 H ASP 7 12.625 -4.884 8.182 73 HA ASP 7 HA ASP 7 10.141 -5.471 9.167 74 1HB ASP 7 2HB ASP 7 12.103 -3.350 9.992 75 2HB ASP 7 1HB ASP 7 10.605 -3.615 10.874 76 H ARG 8 H ARG 8 11.119 -2.163 8.206 77 HA ARG 8 HA ARG 8 8.524 -1.143 8.750 78 1HB ARG 8 2HB ARG 8 9.352 0.956 8.137 79 2HB ARG 8 1HB ARG 8 10.762 0.119 8.763 80 1HG ARG 8 2HG ARG 8 11.374 -0.417 6.388 81 2HG ARG 8 1HG ARG 8 10.071 0.665 5.888 82 1HD ARG 8 2HD ARG 8 12.639 1.308 7.295 83 2HD ARG 8 1HD ARG 8 11.953 2.034 5.843 84 HE ARG 8 HE ARG 8 10.524 2.436 8.363 85 1HH1 ARG 8 1HH1 ARG 8 12.563 3.792 5.842 86 2HH1 ARG 8 2HH1 ARG 8 12.376 5.420 6.415 87 1HH2 ARG 8 1HH2 ARG 8 10.307 4.558 9.109 88 2HH2 ARG 8 2HH2 ARG 8 11.105 5.864 8.274 89 H LEU 9 H LEU 9 9.871 -2.703 6.020 90 HA LEU 9 HA LEU 9 7.900 -1.625 4.164 91 1HB LEU 9 2HB LEU 9 10.065 -3.695 3.811 92 2HB LEU 9 1HB LEU 9 9.015 -3.122 2.529 93 HG LEU 9 HG LEU 9 10.947 -1.385 4.069 94 1HD1 LEU 9 1HD1 LEU 9 12.089 -3.038 2.669 95 2HD1 LEU 9 2HD1 LEU 9 12.281 -1.404 2.034 96 3HD1 LEU 9 3HD1 LEU 9 11.136 -2.515 1.280 97 1HD2 LEU 9 1HD2 LEU 9 10.459 0.246 2.293 98 2HD2 LEU 9 2HD2 LEU 9 9.035 -0.147 3.257 99 3HD2 LEU 9 3HD2 LEU 9 9.232 -0.847 1.651 100 H GLU 10 H GLU 10 8.633 -4.544 5.925 101 HA GLU 10 HA GLU 10 6.768 -6.302 4.817 102 1HB GLU 10 2HB GLU 10 8.554 -7.008 6.308 103 2HB GLU 10 1HB GLU 10 7.873 -6.071 7.625 104 1HG GLU 10 2HG GLU 10 6.005 -7.544 7.795 105 2HG GLU 10 1HG GLU 10 6.488 -8.399 6.328 106 H ARG 11 H ARG 11 6.461 -3.772 7.213 107 HA ARG 11 HA ARG 11 3.667 -4.447 7.680 108 1HB ARG 11 2HB ARG 11 5.520 -2.449 8.968 109 2HB ARG 11 1HB ARG 11 3.795 -2.517 9.321 110 1HG ARG 11 2HG ARG 11 4.077 -4.895 9.959 111 2HG ARG 11 1HG ARG 11 5.815 -4.703 9.749 112 1HD ARG 11 2HD ARG 11 4.241 -2.932 11.589 113 2HD ARG 11 1HD ARG 11 4.853 -4.500 12.114 114 HE ARG 11 HE ARG 11 6.364 -2.081 11.665 115 1HH1 ARG 11 1HH1 ARG 11 6.537 -5.575 11.854 116 2HH1 ARG 11 2HH1 ARG 11 8.174 -5.596 12.423 117 1HH2 ARG 11 1HH2 ARG 11 8.514 -2.109 12.424 118 2HH2 ARG 11 2HH2 ARG 11 9.299 -3.626 12.750 119 H ALA 12 H ALA 12 5.639 -2.116 6.013 120 HA ALA 12 HA ALA 12 3.621 -0.297 5.271 121 1HB ALA 12 1HB ALA 12 5.995 -1.137 3.605 122 2HB ALA 12 2HB ALA 12 6.047 0.074 4.887 123 3HB ALA 12 3HB ALA 12 5.062 0.354 3.451 124 H GLN 13 H GLN 13 4.513 -3.466 4.143 125 HA GLN 13 HA GLN 13 3.093 -3.553 1.724 126 1HB GLN 13 2HB GLN 13 4.721 -5.269 2.479 127 2HB GLN 13 1HB GLN 13 3.568 -5.808 3.689 128 1HG GLN 13 2HG GLN 13 1.999 -6.406 1.880 129 2HG GLN 13 1HG GLN 13 3.227 -5.942 0.702 130 1HE2 GLN 13 1HE2 GLN 13 5.395 -6.984 2.393 131 2HE2 GLN 13 2HE2 GLN 13 5.334 -8.705 2.237 132 H SER 14 H SER 14 2.078 -4.237 5.042 133 HA SER 14 HA SER 14 -0.607 -4.920 4.267 134 1HB SER 14 2HB SER 14 0.430 -4.266 7.031 135 2HB SER 14 1HB SER 14 -1.015 -5.191 6.625 136 HG SER 14 HG SER 14 1.038 -6.334 5.398 137 H GLN 15 H GLN 15 1.059 -2.132 5.636 138 HA GLN 15 HA GLN 15 -1.165 -0.541 6.237 139 1HB GLN 15 2HB GLN 15 1.172 -0.093 6.972 140 2HB GLN 15 1HB GLN 15 1.568 0.380 5.326 141 1HG GLN 15 2HG GLN 15 1.220 2.361 6.568 142 2HG GLN 15 1HG GLN 15 -0.169 2.161 5.503 143 1HE2 GLN 15 1HE2 GLN 15 0.979 2.059 8.774 144 2HE2 GLN 15 2HE2 GLN 15 -0.577 2.070 9.534 145 H GLY 16 H GLY 16 0.754 -0.829 3.266 146 1HA GLY 16 2HA GLY 16 -0.506 1.200 1.792 147 2HA GLY 16 1HA GLY 16 0.319 -0.192 1.107 148 H TYR 17 H TYR 17 -1.294 -2.215 2.156 149 HA TYR 17 HA TYR 17 -3.384 -2.311 0.299 150 1HB TYR 17 2HB TYR 17 -2.309 -4.289 1.414 151 2HB TYR 17 1HB TYR 17 -3.205 -3.888 2.874 152 HD1 TYR 17 HD1 TYR 17 -5.652 -4.160 2.939 153 HD2 TYR 17 HD2 TYR 17 -3.384 -5.301 -0.472 154 HE1 TYR 17 HE1 TYR 17 -7.554 -5.482 2.128 155 HE2 TYR 17 HE2 TYR 17 -5.282 -6.623 -1.304 156 HH TYR 17 HH TYR 17 -7.309 -7.694 -0.476 157 H LYS 18 H LYS 18 -3.437 -1.704 3.805 158 HA LYS 18 HA LYS 18 -6.208 -1.207 3.993 159 1HB LYS 18 2HB LYS 18 -4.799 -1.656 5.959 160 2HB LYS 18 1HB LYS 18 -3.972 -0.122 5.723 161 1HG LYS 18 2HG LYS 18 -6.094 1.055 6.084 162 2HG LYS 18 1HG LYS 18 -6.888 -0.492 6.367 163 1HD LYS 18 2HD LYS 18 -5.331 -0.885 8.260 164 2HD LYS 18 1HD LYS 18 -4.679 0.736 8.009 165 1HE LYS 18 2HE LYS 18 -6.336 0.743 9.790 166 2HE LYS 18 1HE LYS 18 -6.901 1.686 8.411 167 1HZ LYS 18 1HZ LYS 18 -7.720 -1.081 9.117 168 2HZ LYS 18 2HZ LYS 18 -8.210 -0.264 7.716 169 3HZ LYS 18 3HZ LYS 18 -8.673 0.314 9.238 170 H ALA 19 H ALA 19 -3.468 0.870 3.256 171 HA ALA 19 HA ALA 19 -4.837 3.328 3.339 172 1HB ALA 19 1HB ALA 19 -2.396 3.140 3.322 173 2HB ALA 19 2HB ALA 19 -2.988 4.222 2.061 174 3HB ALA 19 3HB ALA 19 -2.458 2.590 1.647 175 H GLY 20 H GLY 20 -4.806 0.780 1.004 176 1HA GLY 20 2HA GLY 20 -5.819 2.230 -1.207 177 2HA GLY 20 1HA GLY 20 -6.010 0.509 -0.923 178 H LEU 21 H LEU 21 -7.403 0.537 1.468 179 HA LEU 21 HA LEU 21 -10.040 1.243 0.486 180 1HB LEU 21 2HB LEU 21 -9.201 -0.118 3.050 181 2HB LEU 21 1HB LEU 21 -10.854 0.093 2.525 182 HG LEU 21 HG LEU 21 -10.453 -2.105 1.973 183 1HD1 LEU 21 1HD1 LEU 21 -9.641 -0.595 -0.496 184 2HD1 LEU 21 2HD1 LEU 21 -11.284 -0.994 0.008 185 3HD1 LEU 21 3HD1 LEU 21 -10.164 -2.278 -0.450 186 1HD2 LEU 21 1HD2 LEU 21 -8.379 -2.981 1.051 187 2HD2 LEU 21 2HD2 LEU 21 -8.095 -2.130 2.572 188 3HD2 LEU 21 3HD2 LEU 21 -7.691 -1.356 1.039 189 H ASN 22 H ASN 22 -7.980 2.020 3.265 190 HA ASN 22 HA ASN 22 -9.965 3.933 4.217 191 1HB ASN 22 2HB ASN 22 -7.479 2.793 5.490 192 2HB ASN 22 1HB ASN 22 -8.512 3.997 6.235 193 1HD2 ASN 22 1HD2 ASN 22 -10.651 3.400 6.815 194 2HD2 ASN 22 2HD2 ASN 22 -11.054 1.734 7.100 195 H GLY 23 H GLY 23 -6.655 3.815 2.987 196 1HA GLY 23 2HA GLY 23 -6.056 6.459 4.050 197 2HA GLY 23 1HA GLY 23 -4.964 5.433 3.132 198 H ARG 24 H ARG 24 -7.526 5.264 1.344 199 HA ARG 24 HA ARG 24 -8.224 6.094 -0.632 200 1HB ARG 24 2HB ARG 24 -8.967 8.034 0.578 201 2HB ARG 24 1HB ARG 24 -7.345 8.715 0.569 202 1HG ARG 24 2HG ARG 24 -7.482 8.807 -1.924 203 2HG ARG 24 1HG ARG 24 -9.173 8.320 -1.792 204 1HD ARG 24 2HD ARG 24 -7.990 10.764 -0.481 205 2HD ARG 24 1HD ARG 24 -8.827 10.774 -2.030 206 HE ARG 24 HE ARG 24 -10.303 9.685 0.235 207 1HH1 ARG 24 1HH1 ARG 24 -9.646 12.430 -1.849 208 2HH1 ARG 24 2HH1 ARG 24 -11.136 13.241 -1.460 209 1HH2 ARG 24 1HH2 ARG 24 -12.259 10.740 0.735 210 2HH2 ARG 24 2HH2 ARG 24 -12.633 12.271 -0.006 211 H SER 25 H SER 25 -5.211 7.870 0.114 212 HA SER 25 HA SER 25 -4.447 7.488 -2.708 213 1HB SER 25 2HB SER 25 -4.222 9.904 -0.937 214 2HB SER 25 1HB SER 25 -3.313 9.759 -2.432 215 HG SER 25 HG SER 25 -5.265 10.849 -2.810 216 H GLN 26 H GLN 26 -2.099 8.186 -3.048 217 HA GLN 26 HA GLN 26 -0.376 6.488 -1.424 218 1HB GLN 26 2HB GLN 26 0.428 8.243 -3.735 219 2HB GLN 26 1HB GLN 26 1.210 6.780 -3.154 220 1HG GLN 26 2HG GLN 26 -0.543 5.417 -3.991 221 2HG GLN 26 1HG GLN 26 -1.542 6.823 -4.352 222 1HE2 GLN 26 1HE2 GLN 26 1.879 6.791 -4.982 223 2HE2 GLN 26 2HE2 GLN 26 1.766 6.739 -6.711 224 H GLU 27 H GLU 27 -1.428 9.619 -1.355 225 HA GLU 27 HA GLU 27 0.853 11.102 -0.647 226 1HB GLU 27 2HB GLU 27 -1.357 12.063 -1.260 227 2HB GLU 27 1HB GLU 27 -2.014 11.475 0.259 228 1HG GLU 27 2HG GLU 27 -0.455 12.917 1.476 229 2HG GLU 27 1HG GLU 27 0.170 13.517 -0.059 230 H ALA 28 H ALA 28 -0.903 8.693 0.980 231 HA ALA 28 HA ALA 28 0.006 9.528 3.636 232 1HB ALA 28 1HB ALA 28 -2.373 9.086 3.365 233 2HB ALA 28 2HB ALA 28 -1.640 7.908 4.459 234 3HB ALA 28 3HB ALA 28 -2.018 7.458 2.794 235 H CYS 29 H CYS 29 1.983 8.471 1.870 236 HA CYS 29 HA CYS 29 2.464 5.792 2.962 237 1HB CYS 29 2HB CYS 29 4.000 5.515 1.085 238 2HB CYS 29 1HB CYS 29 2.425 5.999 0.506 239 HG CYS 29 HG CYS 29 4.826 8.352 0.984 240 HA PRO 30 HA PRO 30 5.434 8.531 5.151 241 1HB PRO 30 2HB PRO 30 4.645 8.104 7.643 242 2HB PRO 30 1HB PRO 30 3.620 9.015 6.525 243 1HG PRO 30 2HG PRO 30 3.332 6.223 7.509 244 2HG PRO 30 1HG PRO 30 2.079 7.397 7.075 245 1HD PRO 30 2HD PRO 30 3.126 5.302 5.451 246 2HD PRO 30 1HD PRO 30 1.973 6.562 4.974 247 H TYR 31 H TYR 31 6.253 5.878 4.239 248 HA TYR 31 HA TYR 31 7.858 5.092 6.583 249 1HB TYR 31 2HB TYR 31 6.855 3.334 4.337 250 2HB TYR 31 1HB TYR 31 8.018 2.815 5.553 251 HD1 TYR 31 HD1 TYR 31 7.284 2.708 7.963 252 HD2 TYR 31 HD2 TYR 31 4.544 3.309 4.764 253 HE1 TYR 31 HE1 TYR 31 5.432 2.018 9.427 254 HE2 TYR 31 HE2 TYR 31 2.683 2.626 6.220 255 HH TYR 31 HH TYR 31 2.960 2.368 9.576 256 H GLN 32 H GLN 32 8.596 3.544 3.660 257 HA GLN 32 HA GLN 32 11.058 5.087 3.362 258 1HB GLN 32 2HB GLN 32 10.852 2.485 3.394 259 2HB GLN 32 1HB GLN 32 10.248 2.662 1.756 260 1HG GLN 32 2HG GLN 32 12.565 2.128 1.659 261 2HG GLN 32 1HG GLN 32 12.369 3.803 1.155 262 1HE2 GLN 32 1HE2 GLN 32 14.474 4.332 1.641 263 2HE2 GLN 32 2HE2 GLN 32 15.054 4.477 3.269 264 H GLN 33 H GLN 33 11.636 5.368 0.827 265 HA GLN 33 HA GLN 33 9.239 6.450 -0.440 266 1HB GLN 33 2HB GLN 33 12.159 6.869 -1.067 267 2HB GLN 33 1HB GLN 33 10.823 7.629 -1.911 268 1HG GLN 33 2HG GLN 33 10.128 8.706 0.192 269 2HG GLN 33 1HG GLN 33 11.523 7.989 0.992 270 1HE2 GLN 33 1HE2 GLN 33 12.392 9.974 1.526 271 2HE2 GLN 33 2HE2 GLN 33 13.090 11.033 0.351 272 H VAL 34 H VAL 34 12.195 5.009 -1.798 273 HA VAL 34 HA VAL 34 10.793 4.079 -4.090 274 HB VAL 34 HB VAL 34 13.565 3.346 -3.129 275 1HG1 VAL 34 1HG1 VAL 34 12.684 1.763 -4.772 276 2HG1 VAL 34 2HG1 VAL 34 14.006 2.721 -5.438 277 3HG1 VAL 34 3HG1 VAL 34 12.338 3.099 -5.874 278 1HG2 VAL 34 1HG2 VAL 34 12.644 5.500 -5.031 279 2HG2 VAL 34 2HG2 VAL 34 14.326 5.066 -4.721 280 3HG2 VAL 34 3HG2 VAL 34 13.335 5.742 -3.428 281 H ASP 35 H ASP 35 12.181 2.418 -1.285 282 HA ASP 35 HA ASP 35 11.446 -0.183 -2.176 283 1HB ASP 35 2HB ASP 35 12.123 0.778 0.611 284 2HB ASP 35 1HB ASP 35 12.004 -0.905 0.121 285 H ALA 36 H ALA 36 9.854 2.337 -0.448 286 HA ALA 36 HA ALA 36 7.705 0.691 0.510 287 1HB ALA 36 1HB ALA 36 8.293 2.704 1.722 288 2HB ALA 36 2HB ALA 36 6.631 2.800 1.133 289 3HB ALA 36 3HB ALA 36 7.916 3.688 0.306 290 H ARG 37 H ARG 37 8.419 2.552 -2.364 291 HA ARG 37 HA ARG 37 5.888 2.536 -3.519 292 1HB ARG 37 2HB ARG 37 7.595 3.753 -4.609 293 2HB ARG 37 1HB ARG 37 8.664 2.361 -4.669 294 1HG ARG 37 2HG ARG 37 7.340 1.333 -6.364 295 2HG ARG 37 1HG ARG 37 6.088 2.570 -6.204 296 1HD ARG 37 2HD ARG 37 7.471 4.233 -7.113 297 2HD ARG 37 1HD ARG 37 8.921 3.258 -6.913 298 HE ARG 37 HE ARG 37 8.541 2.391 -8.966 299 1HH1 ARG 37 1HH1 ARG 37 5.463 3.573 -7.769 300 2HH1 ARG 37 2HH1 ARG 37 4.585 3.078 -9.181 301 1HH2 ARG 37 1HH2 ARG 37 7.397 1.758 -10.820 302 2HH2 ARG 37 2HH2 ARG 37 5.686 2.067 -10.926 303 H SER 38 H SER 38 8.472 0.072 -3.672 304 HA SER 38 HA SER 38 6.898 -1.686 -5.267 305 1HB SER 38 2HB SER 38 8.753 -3.335 -4.673 306 2HB SER 38 1HB SER 38 9.244 -1.863 -5.513 307 HG SER 38 HG SER 38 10.308 -2.718 -3.377 308 H TYR 39 H TYR 39 7.224 -1.193 -1.841 309 HA TYR 39 HA TYR 39 5.805 -3.675 -1.304 310 1HB TYR 39 2HB TYR 39 7.364 -1.788 0.380 311 2HB TYR 39 1HB TYR 39 6.081 -2.712 1.155 312 HD1 TYR 39 HD1 TYR 39 9.236 -3.033 -0.773 313 HD2 TYR 39 HD2 TYR 39 6.359 -4.988 1.673 314 HE1 TYR 39 HE1 TYR 39 10.734 -4.972 -0.565 315 HE2 TYR 39 HE2 TYR 39 7.850 -6.929 1.892 316 HH TYR 39 HH TYR 39 9.684 -7.962 0.895 317 H TRP 40 H TRP 40 5.490 -0.381 -0.067 318 HA TRP 40 HA TRP 40 2.887 -0.701 0.913 319 1HB TRP 40 2HB TRP 40 4.541 1.011 1.648 320 2HB TRP 40 1HB TRP 40 4.300 1.856 0.128 321 HD1 TRP 40 HD1 TRP 40 2.813 1.396 3.560 322 HE1 TRP 40 HE1 TRP 40 0.835 3.014 3.856 323 HE3 TRP 40 HE3 TRP 40 2.351 3.022 -1.261 324 HZ2 TRP 40 HZ2 TRP 40 -0.702 4.747 2.272 325 HZ3 TRP 40 HZ3 TRP 40 0.602 4.664 -1.784 326 HH2 TRP 40 HH2 TRP 40 -0.898 5.506 -0.048 327 H LEU 41 H LEU 41 4.069 0.671 -2.175 328 HA LEU 41 HA LEU 41 1.430 1.554 -2.922 329 1HB LEU 41 2HB LEU 41 4.018 2.147 -3.714 330 2HB LEU 41 1HB LEU 41 3.364 1.282 -5.089 331 HG LEU 41 HG LEU 41 2.146 3.753 -3.856 332 1HD1 LEU 41 1HD1 LEU 41 4.255 4.248 -4.958 333 2HD1 LEU 41 2HD1 LEU 41 2.905 4.858 -5.915 334 3HD1 LEU 41 3HD1 LEU 41 3.728 3.375 -6.397 335 1HD2 LEU 41 1HD2 LEU 41 1.441 2.256 -6.377 336 2HD2 LEU 41 2HD2 LEU 41 0.713 3.766 -5.828 337 3HD2 LEU 41 3HD2 LEU 41 0.485 2.287 -4.894 338 H GLY 42 H GLY 42 3.271 -1.329 -3.202 339 1HA GLY 42 2HA GLY 42 1.952 -2.495 -5.430 340 2HA GLY 42 1HA GLY 42 2.829 -3.367 -4.177 341 H GLY 43 H GLY 43 1.452 -2.790 -1.929 342 1HA GLY 43 2HA GLY 43 -0.883 -4.406 -2.154 343 2HA GLY 43 1HA GLY 43 -0.361 -3.532 -0.720 344 H TRP 44 H TRP 44 -0.300 -0.952 -1.976 345 HA TRP 44 HA TRP 44 -2.892 -0.039 -1.517 346 1HB TRP 44 2HB TRP 44 -0.840 1.373 -1.486 347 2HB TRP 44 1HB TRP 44 -0.762 1.259 -3.239 348 HD1 TRP 44 HD1 TRP 44 -2.850 2.845 -0.440 349 HE1 TRP 44 HE1 TRP 44 -4.191 4.805 -1.429 350 HE3 TRP 44 HE3 TRP 44 -1.725 2.187 -5.378 351 HZ2 TRP 44 HZ2 TRP 44 -4.703 5.928 -3.976 352 HZ3 TRP 44 HZ3 TRP 44 -2.679 3.737 -7.028 353 HH2 TRP 44 HH2 TRP 44 -4.139 5.567 -6.339 354 H ARG 45 H ARG 45 -1.222 -0.518 -4.632 355 HA ARG 45 HA ARG 45 -3.435 0.123 -6.249 356 1HB ARG 45 2HB ARG 45 -0.984 -1.545 -6.812 357 2HB ARG 45 1HB ARG 45 -2.168 -1.117 -8.037 358 1HG ARG 45 2HG ARG 45 -1.693 1.242 -7.710 359 2HG ARG 45 1HG ARG 45 -0.537 0.848 -6.436 360 1HD ARG 45 2HD ARG 45 -0.332 -0.089 -9.293 361 2HD ARG 45 1HD ARG 45 0.505 1.321 -8.647 362 HE ARG 45 HE ARG 45 1.743 -0.191 -7.197 363 1HH1 ARG 45 1HH1 ARG 45 -0.005 -1.657 -9.856 364 2HH1 ARG 45 2HH1 ARG 45 1.012 -3.060 -9.925 365 1HH2 ARG 45 1HH2 ARG 45 3.101 -2.015 -7.294 366 2HH2 ARG 45 2HH2 ARG 45 2.781 -3.266 -8.466 367 H ASP 46 H ASP 46 -2.361 -2.881 -4.804 368 HA ASP 46 HA ASP 46 -3.980 -4.622 -6.340 369 1HB ASP 46 2HB ASP 46 -1.980 -5.280 -4.943 370 2HB ASP 46 1HB ASP 46 -3.005 -5.104 -3.525 371 H ALA 47 H ALA 47 -4.381 -3.254 -3.092 372 HA ALA 47 HA ALA 47 -6.830 -4.405 -2.447 373 1HB ALA 47 1HB ALA 47 -7.055 -2.647 -0.803 374 2HB ALA 47 2HB ALA 47 -5.855 -1.666 -1.644 375 3HB ALA 47 3HB ALA 47 -5.376 -3.179 -0.872 376 H ARG 48 H ARG 48 -6.163 -1.293 -4.034 377 HA ARG 48 HA ARG 48 -8.836 -0.457 -4.225 378 1HB ARG 48 2HB ARG 48 -6.585 0.233 -6.118 379 2HB ARG 48 1HB ARG 48 -8.085 1.125 -5.911 380 1HG ARG 48 2HG ARG 48 -7.350 1.439 -3.485 381 2HG ARG 48 1HG ARG 48 -5.760 0.902 -4.036 382 1HD ARG 48 2HD ARG 48 -5.590 3.186 -4.263 383 2HD ARG 48 1HD ARG 48 -6.093 2.698 -5.882 384 HE ARG 48 HE ARG 48 -7.996 3.707 -3.861 385 1HH1 ARG 48 1HH1 ARG 48 -6.786 3.619 -7.155 386 2HH1 ARG 48 2HH1 ARG 48 -7.921 4.810 -7.720 387 1HH2 ARG 48 1HH2 ARG 48 -9.471 5.246 -4.594 388 2HH2 ARG 48 2HH2 ARG 48 -9.464 5.737 -6.267 389 H ASP 49 H ASP 49 -6.767 -2.121 -6.595 390 HA ASP 49 HA ASP 49 -8.777 -2.138 -8.604 391 1HB ASP 49 2HB ASP 49 -6.271 -2.266 -8.971 392 2HB ASP 49 1HB ASP 49 -6.374 -3.961 -8.507 393 H GLU 50 H GLU 50 -8.341 -4.043 -5.856 394 HA GLU 50 HA GLU 50 -9.475 -6.468 -6.949 395 1HB GLU 50 2HB GLU 50 -7.862 -6.569 -5.060 396 2HB GLU 50 1HB GLU 50 -9.024 -5.714 -4.051 397 1HG GLU 50 2HG GLU 50 -10.636 -7.590 -4.534 398 2HG GLU 50 1HG GLU 50 -9.275 -8.464 -5.232 399 H LYS 51 H LYS 51 -10.441 -3.724 -4.987 400 HA LYS 51 HA LYS 51 -13.156 -4.728 -4.730 401 1HB LYS 51 2HB LYS 51 -12.049 -3.374 -2.920 402 2HB LYS 51 1HB LYS 51 -12.064 -1.996 -4.011 403 1HG LYS 51 2HG LYS 51 -14.473 -2.002 -4.053 404 2HG LYS 51 1HG LYS 51 -14.517 -3.466 -3.069 405 1HD LYS 51 2HD LYS 51 -13.354 -2.208 -1.263 406 2HD LYS 51 1HD LYS 51 -13.497 -0.750 -2.249 407 1HE LYS 51 2HE LYS 51 -15.281 -0.850 -0.596 408 2HE LYS 51 1HE LYS 51 -15.932 -0.974 -2.230 409 1HZ LYS 51 1HZ LYS 51 -16.124 -3.359 -1.949 410 2HZ LYS 51 2HZ LYS 51 -16.962 -2.561 -0.718 411 3HZ LYS 51 3HZ LYS 51 -15.457 -3.269 -0.395 412 H GLN 52 H GLN 52 -11.187 -3.024 -6.815 413 HA GLN 52 HA GLN 52 -13.210 -1.444 -8.115 414 1HB GLN 52 2HB GLN 52 -10.712 -0.981 -7.990 415 2HB GLN 52 1HB GLN 52 -10.517 -2.241 -9.195 416 1HG GLN 52 2HG GLN 52 -10.497 -0.159 -10.330 417 2HG GLN 52 1HG GLN 52 -12.025 -0.953 -10.702 418 1HE2 GLN 52 1HE2 GLN 52 -11.293 1.856 -10.831 419 2HE2 GLN 52 2HE2 GLN 52 -12.411 2.701 -9.817 420 H SER 53 H SER 53 -11.653 -4.558 -8.630 421 HA SER 53 HA SER 53 -12.834 -5.089 -11.146 422 1HB SER 53 2HB SER 53 -12.152 -7.421 -10.761 423 2HB SER 53 1HB SER 53 -10.849 -6.305 -10.348 424 HG SER 53 HG SER 53 -11.635 -6.507 -8.123 425 H GLY 54 H GLY 54 -13.968 -5.326 -7.885 426 1HA GLY 54 2HA GLY 54 -16.117 -7.130 -8.288 427 2HA GLY 54 1HA GLY 54 -15.976 -5.963 -6.980 428 H LEU 55 H LEU 55 -15.702 -3.753 -8.946 429 HA LEU 55 HA LEU 55 -18.547 -3.374 -9.452 430 1HB LEU 55 2HB LEU 55 -16.180 -1.546 -9.320 431 2HB LEU 55 1HB LEU 55 -17.615 -1.038 -10.191 432 HG LEU 55 HG LEU 55 -17.641 -0.131 -7.948 433 1HD1 LEU 55 1HD1 LEU 55 -19.784 -0.697 -8.918 434 2HD1 LEU 55 2HD1 LEU 55 -19.809 -0.985 -7.179 435 3HD1 LEU 55 3HD1 LEU 55 -19.658 -2.342 -8.294 436 1HD2 LEU 55 1HD2 LEU 55 -17.519 -2.988 -6.995 437 2HD2 LEU 55 2HD2 LEU 55 -17.771 -1.570 -5.977 438 3HD2 LEU 55 3HD2 LEU 55 -16.244 -1.778 -6.832 439 H TYR 56 H TYR 56 -17.594 -5.272 -11.106 440 HA TYR 56 HA TYR 56 -16.789 -4.138 -13.620 441 1HB TYR 56 2HB TYR 56 -16.105 -6.418 -13.030 442 2HB TYR 56 1HB TYR 56 -17.790 -6.918 -12.963 443 HD1 TYR 56 HD1 TYR 56 -15.626 -5.095 -15.428 444 HD2 TYR 56 HD2 TYR 56 -18.442 -8.208 -14.741 445 HE1 TYR 56 HE1 TYR 56 -15.557 -5.679 -17.817 446 HE2 TYR 56 HE2 TYR 56 -18.380 -8.801 -17.124 447 HH TYR 56 HH TYR 56 -17.817 -7.853 -19.243 448 H LYS 57 H LYS 57 -18.618 -2.570 -13.373 449 HA LYS 57 HA LYS 57 -21.203 -3.550 -14.254 450 1HB LYS 57 2HB LYS 57 -20.602 -1.496 -12.685 451 2HB LYS 57 1HB LYS 57 -20.458 -0.644 -14.214 452 1HG LYS 57 2HG LYS 57 -22.907 -2.097 -13.236 453 2HG LYS 57 1HG LYS 57 -22.658 -0.354 -13.193 454 1HD LYS 57 2HD LYS 57 -22.481 -0.365 -15.665 455 2HD LYS 57 1HD LYS 57 -22.837 -2.094 -15.651 456 1HE LYS 57 2HE LYS 57 -24.634 0.112 -14.650 457 2HE LYS 57 1HE LYS 57 -24.844 -0.816 -16.136 458 1HZ LYS 57 1HZ LYS 57 -26.253 -1.588 -14.294 459 2HZ LYS 57 2HZ LYS 57 -24.866 -1.980 -13.403 460 3HZ LYS 57 3HZ LYS 57 -25.200 -2.796 -14.852 461 H LEU 58 H LEU 58 -18.707 -1.341 -15.478 462 HA LEU 58 HA LEU 58 -19.757 -1.610 -18.179 463 1HB LEU 58 2HB LEU 58 -17.449 0.081 -17.251 464 2HB LEU 58 1HB LEU 58 -18.385 0.255 -18.715 465 HG LEU 58 HG LEU 58 -19.456 0.747 -15.941 466 1HD1 LEU 58 1HD1 LEU 58 -17.778 2.406 -16.541 467 2HD1 LEU 58 2HD1 LEU 58 -19.393 3.115 -16.540 468 3HD1 LEU 58 3HD1 LEU 58 -18.608 2.708 -18.066 469 1HD2 LEU 58 1HD2 LEU 58 -21.360 1.744 -17.102 470 2HD2 LEU 58 2HD2 LEU 58 -21.171 0.041 -17.525 471 3HD2 LEU 58 3HD2 LEU 58 -20.652 1.294 -18.654 472 H GLU 59 H GLU 59 -18.273 -2.094 -19.933 473 HA GLU 59 HA GLU 59 -16.450 -4.235 -19.186 474 1HB GLU 59 2HB GLU 59 -16.406 -4.824 -21.500 475 2HB GLU 59 1HB GLU 59 -18.073 -4.440 -21.104 476 1HG GLU 59 2HG GLU 59 -16.185 -2.507 -22.428 477 2HG GLU 59 1HG GLU 59 -17.266 -3.582 -23.308 478 H HIS 60 H HIS 60 -16.370 -0.953 -19.931 479 HA HIS 60 HA HIS 60 -13.887 -0.743 -21.265 480 1HB HIS 60 2HB HIS 60 -15.968 0.951 -20.748 481 2HB HIS 60 1HB HIS 60 -14.735 1.570 -19.657 482 HD1 HIS 60 HD1 HIS 60 -15.906 1.864 -23.032 483 HD2 HIS 60 HD2 HIS 60 -12.197 2.138 -21.160 484 HE1 HIS 60 HE1 HIS 60 -14.419 3.107 -24.638 485 HE2 HIS 60 HE2 HIS 60 -12.148 3.100 -23.567 Start of MODEL 2 1 1H MET 1 1H MET 1 19.492 -5.432 8.612 2 2H MET 1 2H MET 1 18.283 -6.354 9.364 3 3H MET 1 3H MET 1 19.433 -7.111 8.373 4 HA MET 1 HA MET 1 19.837 -7.442 10.745 5 1HB MET 1 2HB MET 1 21.687 -7.641 9.218 6 2HB MET 1 1HB MET 1 21.897 -5.895 9.175 7 1HG MET 1 2HG MET 1 23.576 -7.024 10.567 8 2HG MET 1 1HG MET 1 22.601 -5.868 11.473 9 1HE MET 1 1HE MET 1 23.235 -8.531 14.217 10 2HE MET 1 2HE MET 1 23.240 -6.814 13.814 11 3HE MET 1 3HE MET 1 24.360 -7.912 13.009 12 H LYS 2 H LYS 2 20.760 -4.089 9.841 13 HA LYS 2 HA LYS 2 20.432 -3.422 12.690 14 1HB LYS 2 2HB LYS 2 22.130 -1.650 12.295 15 2HB LYS 2 1HB LYS 2 22.737 -3.282 12.054 16 1HG LYS 2 2HG LYS 2 22.400 -2.972 9.605 17 2HG LYS 2 1HG LYS 2 21.991 -1.286 9.933 18 1HD LYS 2 2HD LYS 2 24.184 -0.915 10.913 19 2HD LYS 2 1HD LYS 2 24.596 -2.616 10.682 20 1HE LYS 2 2HE LYS 2 25.617 -1.305 8.938 21 2HE LYS 2 1HE LYS 2 24.346 -2.306 8.243 22 1HZ LYS 2 1HZ LYS 2 22.892 -0.398 8.190 23 2HZ LYS 2 2HZ LYS 2 24.335 -0.032 7.384 24 3HZ LYS 2 3HZ LYS 2 24.064 0.567 8.945 25 H ARG 3 H ARG 3 19.031 -2.901 9.720 26 HA ARG 3 HA ARG 3 17.948 -0.339 10.669 27 1HB ARG 3 2HB ARG 3 18.775 -1.199 7.950 28 2HB ARG 3 1HB ARG 3 17.360 -0.158 8.075 29 1HG ARG 3 2HG ARG 3 20.061 0.454 9.259 30 2HG ARG 3 1HG ARG 3 19.446 1.107 7.737 31 1HD ARG 3 2HD ARG 3 17.657 2.230 8.863 32 2HD ARG 3 1HD ARG 3 18.046 1.433 10.383 33 HE ARG 3 HE ARG 3 20.233 2.729 10.204 34 1HH1 ARG 3 1HH1 ARG 3 17.229 3.841 8.816 35 2HH1 ARG 3 2HH1 ARG 3 17.551 5.525 9.083 36 1HH2 ARG 3 1HH2 ARG 3 20.691 4.956 10.589 37 2HH2 ARG 3 2HH2 ARG 3 19.532 6.155 10.099 38 H GLN 4 H GLN 4 17.200 -3.554 9.919 39 HA GLN 4 HA GLN 4 15.248 -4.731 9.787 40 1HB GLN 4 2HB GLN 4 14.610 -2.447 11.608 41 2HB GLN 4 1HB GLN 4 13.326 -3.549 11.138 42 1HG GLN 4 2HG GLN 4 14.210 -4.227 13.251 43 2HG GLN 4 1HG GLN 4 14.650 -5.423 12.037 44 1HE2 GLN 4 1HE2 GLN 4 16.343 -6.218 13.222 45 2HE2 GLN 4 2HE2 GLN 4 17.831 -5.342 13.424 46 H LYS 5 H LYS 5 15.743 -3.024 7.572 47 HA LYS 5 HA LYS 5 13.605 -1.349 6.908 48 1HB LYS 5 2HB LYS 5 14.453 -1.618 4.544 49 2HB LYS 5 1HB LYS 5 15.619 -1.039 5.726 50 1HG LYS 5 2HG LYS 5 16.571 -3.267 5.899 51 2HG LYS 5 1HG LYS 5 15.389 -3.867 4.731 52 1HD LYS 5 2HD LYS 5 16.286 -2.414 3.020 53 2HD LYS 5 1HD LYS 5 17.404 -1.689 4.178 54 1HE LYS 5 2HE LYS 5 18.480 -3.883 4.467 55 2HE LYS 5 1HE LYS 5 17.384 -4.565 3.266 56 1HZ LYS 5 1HZ LYS 5 19.120 -2.257 2.628 57 2HZ LYS 5 2HZ LYS 5 18.369 -3.349 1.564 58 3HZ LYS 5 3HZ LYS 5 19.690 -3.849 2.501 59 H ARG 6 H ARG 6 14.139 -4.788 6.149 60 HA ARG 6 HA ARG 6 11.830 -4.994 4.504 61 1HB ARG 6 2HB ARG 6 13.574 -6.709 4.375 62 2HB ARG 6 1HB ARG 6 13.248 -7.181 6.043 63 1HG ARG 6 2HG ARG 6 10.834 -7.561 5.224 64 2HG ARG 6 1HG ARG 6 11.543 -7.558 3.613 65 1HD ARG 6 2HD ARG 6 12.777 -9.486 4.024 66 2HD ARG 6 1HD ARG 6 12.633 -9.315 5.775 67 HE ARG 6 HE ARG 6 10.054 -9.590 4.846 68 1HH1 ARG 6 1HH1 ARG 6 12.965 -11.548 4.669 69 2HH1 ARG 6 2HH1 ARG 6 12.094 -13.053 4.745 70 1HH2 ARG 6 1HH2 ARG 6 8.933 -11.531 4.911 71 2HH2 ARG 6 2HH2 ARG 6 9.791 -13.042 4.842 72 H ASP 7 H ASP 7 12.431 -5.395 7.926 73 HA ASP 7 HA ASP 7 10.002 -6.531 8.724 74 1HB ASP 7 2HB ASP 7 12.009 -6.231 10.174 75 2HB ASP 7 1HB ASP 7 11.693 -4.507 10.217 76 H ARG 8 H ARG 8 11.009 -3.166 8.564 77 HA ARG 8 HA ARG 8 8.562 -2.003 9.312 78 1HB ARG 8 2HB ARG 8 10.754 -0.892 9.427 79 2HB ARG 8 1HB ARG 8 10.830 -0.864 7.672 80 1HG ARG 8 2HG ARG 8 10.177 1.299 8.621 81 2HG ARG 8 1HG ARG 8 8.933 0.615 7.566 82 1HD ARG 8 2HD ARG 8 7.619 -0.071 9.452 83 2HD ARG 8 1HD ARG 8 8.925 0.306 10.573 84 HE ARG 8 HE ARG 8 8.441 2.696 9.447 85 1HH1 ARG 8 1HH1 ARG 8 6.292 0.325 10.895 86 2HH1 ARG 8 2HH1 ARG 8 5.155 1.520 11.437 87 1HH2 ARG 8 1HH2 ARG 8 6.952 4.252 10.189 88 2HH2 ARG 8 2HH2 ARG 8 5.524 3.741 11.039 89 H LEU 9 H LEU 9 9.937 -2.830 6.170 90 HA LEU 9 HA LEU 9 7.786 -1.609 4.716 91 1HB LEU 9 2HB LEU 9 10.088 -3.360 3.893 92 2HB LEU 9 1HB LEU 9 8.892 -2.761 2.756 93 HG LEU 9 HG LEU 9 10.534 -0.943 4.508 94 1HD1 LEU 9 1HD1 LEU 9 12.034 -2.205 3.072 95 2HD1 LEU 9 2HD1 LEU 9 11.923 -0.523 2.557 96 3HD1 LEU 9 3HD1 LEU 9 11.061 -1.777 1.664 97 1HD2 LEU 9 1HD2 LEU 9 8.472 0.015 3.684 98 2HD2 LEU 9 2HD2 LEU 9 8.876 -0.479 2.039 99 3HD2 LEU 9 3HD2 LEU 9 9.853 0.741 2.859 100 H GLU 10 H GLU 10 8.443 -4.747 6.024 101 HA GLU 10 HA GLU 10 6.550 -6.305 4.669 102 1HB GLU 10 2HB GLU 10 8.289 -6.963 6.476 103 2HB GLU 10 1HB GLU 10 7.063 -6.483 7.639 104 1HG GLU 10 2HG GLU 10 6.756 -8.755 7.479 105 2HG GLU 10 1HG GLU 10 5.538 -8.121 6.373 106 H ARG 11 H ARG 11 6.328 -4.066 7.332 107 HA ARG 11 HA ARG 11 3.511 -4.412 7.787 108 1HB ARG 11 2HB ARG 11 5.632 -2.595 8.831 109 2HB ARG 11 1HB ARG 11 3.962 -2.063 8.966 110 1HG ARG 11 2HG ARG 11 4.753 -3.187 10.986 111 2HG ARG 11 1HG ARG 11 3.400 -4.035 10.240 112 1HD ARG 11 2HD ARG 11 4.849 -5.700 9.340 113 2HD ARG 11 1HD ARG 11 6.282 -4.781 9.799 114 HE ARG 11 HE ARG 11 4.470 -5.710 11.911 115 1HH1 ARG 11 1HH1 ARG 11 7.472 -5.981 10.184 116 2HH1 ARG 11 2HH1 ARG 11 8.301 -6.832 11.452 117 1HH2 ARG 11 1HH2 ARG 11 5.517 -6.856 13.601 118 2HH2 ARG 11 2HH2 ARG 11 7.177 -7.335 13.414 119 H ALA 12 H ALA 12 5.579 -2.081 6.166 120 HA ALA 12 HA ALA 12 3.686 -0.277 5.253 121 1HB ALA 12 1HB ALA 12 6.124 0.020 5.009 122 2HB ALA 12 2HB ALA 12 5.262 0.286 3.493 123 3HB ALA 12 3HB ALA 12 6.133 -1.224 3.758 124 H GLN 13 H GLN 13 4.501 -3.498 4.068 125 HA GLN 13 HA GLN 13 3.052 -3.147 1.611 126 1HB GLN 13 2HB GLN 13 4.818 -4.796 1.678 127 2HB GLN 13 1HB GLN 13 4.005 -5.670 2.972 128 1HG GLN 13 2HG GLN 13 2.297 -6.416 1.546 129 2HG GLN 13 1HG GLN 13 2.717 -5.249 0.296 130 1HE2 GLN 13 1HE2 GLN 13 2.843 -6.913 -1.225 131 2HE2 GLN 13 2HE2 GLN 13 4.198 -7.987 -1.275 132 H SER 14 H SER 14 2.315 -4.757 4.692 133 HA SER 14 HA SER 14 -0.309 -5.516 3.901 134 1HB SER 14 2HB SER 14 0.959 -6.617 5.753 135 2HB SER 14 1HB SER 14 0.761 -5.152 6.714 136 HG SER 14 HG SER 14 -1.234 -5.699 7.143 137 H GLN 15 H GLN 15 1.046 -2.705 5.564 138 HA GLN 15 HA GLN 15 -1.502 -1.556 6.158 139 1HB GLN 15 2HB GLN 15 0.760 -1.009 7.282 140 2HB GLN 15 1HB GLN 15 1.042 0.033 5.897 141 1HG GLN 15 2HG GLN 15 -0.941 1.313 6.395 142 2HG GLN 15 1HG GLN 15 -1.338 0.231 7.725 143 1HE2 GLN 15 1HE2 GLN 15 -0.907 3.102 7.723 144 2HE2 GLN 15 2HE2 GLN 15 0.362 3.399 8.861 145 H GLY 16 H GLY 16 0.711 -1.447 3.459 146 1HA GLY 16 2HA GLY 16 -0.381 0.710 2.049 147 2HA GLY 16 1HA GLY 16 0.415 -0.679 1.318 148 H TYR 17 H TYR 17 -1.233 -2.735 1.979 149 HA TYR 17 HA TYR 17 -3.348 -2.589 0.174 150 1HB TYR 17 2HB TYR 17 -2.368 -4.706 1.085 151 2HB TYR 17 1HB TYR 17 -3.180 -4.386 2.613 152 HD1 TYR 17 HD1 TYR 17 -5.659 -4.490 2.737 153 HD2 TYR 17 HD2 TYR 17 -3.549 -5.599 -0.790 154 HE1 TYR 17 HE1 TYR 17 -7.657 -5.645 1.909 155 HE2 TYR 17 HE2 TYR 17 -5.555 -6.756 -1.627 156 HH TYR 17 HH TYR 17 -7.606 -7.589 -0.999 157 H LYS 18 H LYS 18 -3.373 -2.309 3.712 158 HA LYS 18 HA LYS 18 -6.106 -1.742 3.994 159 1HB LYS 18 2HB LYS 18 -4.587 -2.390 5.842 160 2HB LYS 18 1HB LYS 18 -3.835 -0.805 5.751 161 1HG LYS 18 2HG LYS 18 -5.413 -0.857 7.563 162 2HG LYS 18 1HG LYS 18 -6.000 0.224 6.302 163 1HD LYS 18 2HD LYS 18 -7.621 -1.326 5.589 164 2HD LYS 18 1HD LYS 18 -6.868 -2.648 6.483 165 1HE LYS 18 2HE LYS 18 -8.202 -0.233 7.695 166 2HE LYS 18 1HE LYS 18 -8.898 -1.851 7.595 167 1HZ LYS 18 1HZ LYS 18 -6.477 -1.050 9.124 168 2HZ LYS 18 2HZ LYS 18 -7.010 -2.650 8.939 169 3HZ LYS 18 3HZ LYS 18 -7.975 -1.528 9.762 170 H ALA 19 H ALA 19 -3.340 0.320 3.334 171 HA ALA 19 HA ALA 19 -4.608 2.802 3.740 172 1HB ALA 19 1HB ALA 19 -2.173 2.522 3.639 173 2HB ALA 19 2HB ALA 19 -2.748 3.765 2.528 174 3HB ALA 19 3HB ALA 19 -2.294 2.175 1.916 175 H GLY 20 H GLY 20 -4.737 0.536 1.116 176 1HA GLY 20 2HA GLY 20 -5.816 2.251 -0.844 177 2HA GLY 20 1HA GLY 20 -6.127 0.530 -0.707 178 H LEU 21 H LEU 21 -7.210 0.695 1.951 179 HA LEU 21 HA LEU 21 -9.903 1.607 1.297 180 1HB LEU 21 2HB LEU 21 -8.889 0.131 3.741 181 2HB LEU 21 1HB LEU 21 -10.570 0.433 3.349 182 HG LEU 21 HG LEU 21 -10.307 -1.783 2.767 183 1HD1 LEU 21 1HD1 LEU 21 -9.661 -0.322 0.220 184 2HD1 LEU 21 2HD1 LEU 21 -11.270 -0.561 0.903 185 3HD1 LEU 21 3HD1 LEU 21 -10.332 -1.947 0.345 186 1HD2 LEU 21 1HD2 LEU 21 -7.918 -1.942 3.114 187 2HD2 LEU 21 2HD2 LEU 21 -7.623 -1.124 1.580 188 3HD2 LEU 21 3HD2 LEU 21 -8.377 -2.718 1.598 189 H ASN 22 H ASN 22 -7.288 2.183 3.519 190 HA ASN 22 HA ASN 22 -8.799 3.989 5.190 191 1HB ASN 22 2HB ASN 22 -6.286 2.530 5.338 192 2HB ASN 22 1HB ASN 22 -6.126 4.183 5.916 193 1HD2 ASN 22 1HD2 ASN 22 -9.111 2.357 6.172 194 2HD2 ASN 22 2HD2 ASN 22 -9.064 2.175 7.897 195 H GLY 23 H GLY 23 -6.106 4.258 2.868 196 1HA GLY 23 2HA GLY 23 -5.970 7.142 3.479 197 2HA GLY 23 1HA GLY 23 -4.701 6.198 2.715 198 H ARG 24 H ARG 24 -6.560 4.879 0.927 199 HA ARG 24 HA ARG 24 -7.646 5.072 -1.044 200 1HB ARG 24 2HB ARG 24 -9.137 6.653 0.009 201 2HB ARG 24 1HB ARG 24 -7.987 7.956 -0.249 202 1HG ARG 24 2HG ARG 24 -8.288 7.789 -2.648 203 2HG ARG 24 1HG ARG 24 -9.364 6.407 -2.434 204 1HD ARG 24 2HD ARG 24 -10.682 8.381 -2.815 205 2HD ARG 24 1HD ARG 24 -10.904 7.844 -1.152 206 HE ARG 24 HE ARG 24 -8.849 9.787 -1.270 207 1HH1 ARG 24 1HH1 ARG 24 -12.329 9.473 -1.528 208 2HH1 ARG 24 2HH1 ARG 24 -12.652 11.088 -0.974 209 1HH2 ARG 24 1HH2 ARG 24 -9.258 11.912 -0.547 210 2HH2 ARG 24 2HH2 ARG 24 -10.893 12.474 -0.411 211 H SER 25 H SER 25 -5.366 7.727 -0.468 212 HA SER 25 HA SER 25 -4.514 7.543 -3.278 213 1HB SER 25 2HB SER 25 -3.983 9.675 -1.214 214 2HB SER 25 1HB SER 25 -3.392 9.719 -2.869 215 HG SER 25 HG SER 25 -5.945 9.265 -3.097 216 H GLN 26 H GLN 26 -2.191 7.817 -3.718 217 HA GLN 26 HA GLN 26 -0.619 5.936 -2.204 218 1HB GLN 26 2HB GLN 26 0.423 7.769 -4.348 219 2HB GLN 26 1HB GLN 26 0.986 6.162 -3.919 220 1HG GLN 26 2HG GLN 26 -1.017 5.175 -4.824 221 2HG GLN 26 1HG GLN 26 -1.679 6.772 -5.169 222 1HE2 GLN 26 1HE2 GLN 26 -1.087 4.502 -6.931 223 2HE2 GLN 26 2HE2 GLN 26 -0.026 5.107 -8.156 224 H GLU 27 H GLU 27 -1.173 9.272 -2.164 225 HA GLU 27 HA GLU 27 1.287 10.224 -1.148 226 1HB GLU 27 2HB GLU 27 -0.555 11.562 -2.227 227 2HB GLU 27 1HB GLU 27 -1.465 11.397 -0.733 228 1HG GLU 27 2HG GLU 27 0.141 12.641 0.479 229 2HG GLU 27 1HG GLU 27 1.262 12.632 -0.883 230 H ALA 28 H ALA 28 -0.866 8.128 0.204 231 HA ALA 28 HA ALA 28 -0.584 9.016 2.955 232 1HB ALA 28 1HB ALA 28 -1.920 7.038 3.501 233 2HB ALA 28 2HB ALA 28 -1.851 6.526 1.814 234 3HB ALA 28 3HB ALA 28 -2.695 8.012 2.250 235 H CYS 29 H CYS 29 1.687 8.080 1.129 236 HA CYS 29 HA CYS 29 2.733 5.893 2.782 237 1HB CYS 29 2HB CYS 29 2.820 5.519 0.367 238 2HB CYS 29 1HB CYS 29 3.710 7.018 0.143 239 HG CYS 29 HG CYS 29 6.080 6.083 0.615 240 HA PRO 30 HA PRO 30 4.899 9.490 4.551 241 1HB PRO 30 2HB PRO 30 4.786 8.747 7.106 242 2HB PRO 30 1HB PRO 30 3.346 9.333 6.266 243 1HG PRO 30 2HG PRO 30 4.167 6.520 6.876 244 2HG PRO 30 1HG PRO 30 2.569 7.273 7.024 245 1HD PRO 30 2HD PRO 30 3.354 5.722 4.886 246 2HD PRO 30 1HD PRO 30 2.087 6.956 4.816 247 H TYR 31 H TYR 31 5.804 6.161 4.502 248 HA TYR 31 HA TYR 31 8.003 6.273 6.318 249 1HB TYR 31 2HB TYR 31 7.863 4.276 4.081 250 2HB TYR 31 1HB TYR 31 8.467 4.060 5.718 251 HD1 TYR 31 HD2 TYR 31 6.901 3.636 7.570 252 HD2 TYR 31 HD1 TYR 31 5.545 4.040 3.560 253 HE1 TYR 31 HE2 TYR 31 4.752 2.611 8.194 254 HE2 TYR 31 HE1 TYR 31 3.397 3.027 4.176 255 HH TYR 31 HH TYR 31 2.480 2.499 7.429 256 H GLN 32 H GLN 32 8.091 5.624 2.865 257 HA GLN 32 HA GLN 32 10.333 7.408 2.417 258 1HB GLN 32 2HB GLN 32 11.270 5.177 3.215 259 2HB GLN 32 1HB GLN 32 10.536 4.436 1.803 260 1HG GLN 32 2HG GLN 32 11.921 5.949 0.386 261 2HG GLN 32 1HG GLN 32 12.742 6.478 1.853 262 1HE2 GLN 32 1HE2 GLN 32 13.783 5.163 -0.497 263 2HE2 GLN 32 2HE2 GLN 32 14.494 3.670 0.033 264 H GLN 33 H GLN 33 10.859 7.093 -0.132 265 HA GLN 33 HA GLN 33 8.292 6.822 -1.436 266 1HB GLN 33 2HB GLN 33 10.914 7.916 -2.392 267 2HB GLN 33 1HB GLN 33 9.473 7.798 -3.385 268 1HG GLN 33 2HG GLN 33 8.284 9.274 -1.851 269 2HG GLN 33 1HG GLN 33 9.729 9.393 -0.849 270 1HE2 GLN 33 1HE2 GLN 33 9.846 11.614 -1.109 271 2HE2 GLN 33 2HE2 GLN 33 10.342 12.345 -2.599 272 H VAL 34 H VAL 34 11.569 5.930 -2.502 273 HA VAL 34 HA VAL 34 10.566 4.254 -4.504 274 HB VAL 34 HB VAL 34 13.301 4.368 -3.239 275 1HG1 VAL 34 1HG1 VAL 34 12.987 2.176 -4.235 276 2HG1 VAL 34 2HG1 VAL 34 14.113 3.141 -5.190 277 3HG1 VAL 34 3HG1 VAL 34 12.452 2.921 -5.742 278 1HG2 VAL 34 1HG2 VAL 34 12.638 6.402 -4.368 279 2HG2 VAL 34 2HG2 VAL 34 12.186 5.487 -5.806 280 3HG2 VAL 34 3HG2 VAL 34 13.877 5.570 -5.307 281 H ASP 35 H ASP 35 12.142 3.291 -1.446 282 HA ASP 35 HA ASP 35 11.771 0.503 -1.997 283 1HB ASP 35 2HB ASP 35 12.593 1.961 0.522 284 2HB ASP 35 1HB ASP 35 12.472 0.208 0.425 285 H ALA 36 H ALA 36 10.264 2.858 0.104 286 HA ALA 36 HA ALA 36 8.381 1.299 1.374 287 1HB ALA 36 1HB ALA 36 8.743 3.594 1.989 288 2HB ALA 36 2HB ALA 36 7.047 3.373 1.553 289 3HB ALA 36 3HB ALA 36 8.157 4.148 0.417 290 H ARG 37 H ARG 37 8.023 3.058 -1.716 291 HA ARG 37 HA ARG 37 5.386 2.147 -2.162 292 1HB ARG 37 2HB ARG 37 7.447 3.357 -3.988 293 2HB ARG 37 1HB ARG 37 5.851 2.884 -4.558 294 1HG ARG 37 2HG ARG 37 4.799 4.400 -3.001 295 2HG ARG 37 1HG ARG 37 6.370 4.825 -2.319 296 1HD ARG 37 2HD ARG 37 7.048 5.874 -4.344 297 2HD ARG 37 1HD ARG 37 5.647 5.247 -5.210 298 HE ARG 37 HE ARG 37 5.295 7.103 -2.950 299 1HH1 ARG 37 1HH1 ARG 37 4.980 6.422 -6.380 300 2HH1 ARG 37 2HH1 ARG 37 3.880 7.747 -6.658 301 1HH2 ARG 37 1HH2 ARG 37 3.887 8.832 -3.324 302 2HH2 ARG 37 2HH2 ARG 37 3.272 9.128 -4.922 303 H SER 38 H SER 38 8.443 0.636 -2.714 304 HA SER 38 HA SER 38 7.606 -1.184 -4.719 305 1HB SER 38 2HB SER 38 9.811 -1.494 -2.662 306 2HB SER 38 1HB SER 38 9.625 -2.455 -4.127 307 HG SER 38 HG SER 38 10.129 0.336 -3.962 308 H TYR 39 H TYR 39 7.492 -1.141 -1.211 309 HA TYR 39 HA TYR 39 6.144 -3.730 -1.209 310 1HB TYR 39 2HB TYR 39 7.304 -1.980 0.908 311 2HB TYR 39 1HB TYR 39 6.062 -3.144 1.355 312 HD1 TYR 39 HD1 TYR 39 9.404 -2.873 -0.274 313 HD2 TYR 39 HD2 TYR 39 6.603 -5.387 1.715 314 HE1 TYR 39 HE1 TYR 39 11.103 -4.644 -0.125 315 HE2 TYR 39 HE2 TYR 39 8.294 -7.165 1.867 316 HH TYR 39 HH TYR 39 10.340 -7.866 0.865 317 H TRP 40 H TRP 40 5.518 -0.411 -0.259 318 HA TRP 40 HA TRP 40 2.957 -0.863 0.855 319 1HB TRP 40 2HB TRP 40 4.567 0.976 1.413 320 2HB TRP 40 1HB TRP 40 4.165 1.726 -0.123 321 HD1 TRP 40 HD1 TRP 40 2.731 1.062 3.354 322 HE1 TRP 40 HE1 TRP 40 0.733 2.633 3.738 323 HE3 TRP 40 HE3 TRP 40 2.345 3.013 -1.348 324 HZ2 TRP 40 HZ2 TRP 40 -0.787 4.483 2.236 325 HZ3 TRP 40 HZ3 TRP 40 0.595 4.681 -1.793 326 HH2 TRP 40 HH2 TRP 40 -0.943 5.398 -0.038 327 H LEU 41 H LEU 41 3.953 0.640 -2.241 328 HA LEU 41 HA LEU 41 1.308 1.398 -2.931 329 1HB LEU 41 2HB LEU 41 3.670 2.244 -3.767 330 2HB LEU 41 1HB LEU 41 3.420 1.041 -5.013 331 HG LEU 41 HG LEU 41 1.441 3.255 -4.460 332 1HD1 LEU 41 1HD1 LEU 41 2.409 4.419 -6.369 333 2HD1 LEU 41 2HD1 LEU 41 3.661 3.185 -6.498 334 3HD1 LEU 41 3HD1 LEU 41 3.596 4.227 -5.077 335 1HD2 LEU 41 1HD2 LEU 41 0.654 2.746 -6.713 336 2HD2 LEU 41 2HD2 LEU 41 0.552 1.324 -5.674 337 3HD2 LEU 41 3HD2 LEU 41 1.857 1.462 -6.853 338 H GLY 42 H GLY 42 3.272 -1.430 -3.610 339 1HA GLY 42 2HA GLY 42 1.735 -2.587 -5.651 340 2HA GLY 42 1HA GLY 42 2.719 -3.476 -4.499 341 H GLY 43 H GLY 43 1.493 -2.993 -2.120 342 1HA GLY 43 2HA GLY 43 -0.847 -4.626 -2.259 343 2HA GLY 43 1HA GLY 43 -0.225 -3.820 -0.824 344 H TRP 44 H TRP 44 -0.251 -1.185 -1.969 345 HA TRP 44 HA TRP 44 -2.803 -0.315 -1.266 346 1HB TRP 44 2HB TRP 44 -0.919 1.199 -1.223 347 2HB TRP 44 1HB TRP 44 -0.686 1.029 -2.958 348 HD1 TRP 44 HD1 TRP 44 -2.911 2.778 -0.394 349 HE1 TRP 44 HE1 TRP 44 -4.259 4.617 -1.586 350 HE3 TRP 44 HE3 TRP 44 -1.664 1.698 -5.230 351 HZ2 TRP 44 HZ2 TRP 44 -4.740 5.480 -4.229 352 HZ3 TRP 44 HZ3 TRP 44 -2.617 3.074 -7.031 353 HH2 TRP 44 HH2 TRP 44 -4.126 4.924 -6.540 354 H ARG 45 H ARG 45 -1.394 -0.650 -4.539 355 HA ARG 45 HA ARG 45 -3.773 0.180 -5.847 356 1HB ARG 45 2HB ARG 45 -1.424 0.171 -6.841 357 2HB ARG 45 1HB ARG 45 -1.642 -1.560 -7.088 358 1HG ARG 45 2HG ARG 45 -3.762 -0.963 -8.348 359 2HG ARG 45 1HG ARG 45 -3.187 0.702 -8.316 360 1HD ARG 45 2HD ARG 45 -2.544 -0.245 -10.402 361 2HD ARG 45 1HD ARG 45 -1.088 -0.091 -9.417 362 HE ARG 45 HE ARG 45 -0.998 -2.425 -9.207 363 1HH1 ARG 45 1HH1 ARG 45 -3.784 -1.405 -11.079 364 2HH1 ARG 45 2HH1 ARG 45 -4.061 -2.979 -11.764 365 1HH2 ARG 45 1HH2 ARG 45 -1.359 -4.486 -10.102 366 2HH2 ARG 45 2HH2 ARG 45 -2.691 -4.735 -11.197 367 H ASP 46 H ASP 46 -2.473 -2.924 -4.895 368 HA ASP 46 HA ASP 46 -4.196 -4.596 -6.320 369 1HB ASP 46 2HB ASP 46 -2.169 -5.366 -5.119 370 2HB ASP 46 1HB ASP 46 -2.990 -5.079 -3.589 371 H ALA 47 H ALA 47 -4.506 -3.257 -3.044 372 HA ALA 47 HA ALA 47 -7.005 -4.396 -2.440 373 1HB ALA 47 1HB ALA 47 -7.159 -2.700 -0.697 374 2HB ALA 47 2HB ALA 47 -5.823 -1.815 -1.434 375 3HB ALA 47 3HB ALA 47 -5.546 -3.416 -0.748 376 H ARG 48 H ARG 48 -6.177 -1.163 -3.659 377 HA ARG 48 HA ARG 48 -8.783 -0.181 -3.790 378 1HB ARG 48 2HB ARG 48 -6.765 1.235 -3.972 379 2HB ARG 48 1HB ARG 48 -6.457 0.573 -5.573 380 1HG ARG 48 2HG ARG 48 -8.490 1.538 -6.419 381 2HG ARG 48 1HG ARG 48 -8.947 2.084 -4.808 382 1HD ARG 48 2HD ARG 48 -6.949 3.531 -4.767 383 2HD ARG 48 1HD ARG 48 -6.575 3.022 -6.415 384 HE ARG 48 HE ARG 48 -9.208 3.987 -6.358 385 1HH1 ARG 48 1HH1 ARG 48 -5.933 5.206 -6.055 386 2HH1 ARG 48 2HH1 ARG 48 -6.340 6.793 -6.634 387 1HH2 ARG 48 1HH2 ARG 48 -9.728 6.052 -7.122 388 2HH2 ARG 48 2HH2 ARG 48 -8.499 7.270 -7.245 389 H ASP 49 H ASP 49 -6.831 -1.826 -6.269 390 HA ASP 49 HA ASP 49 -8.875 -1.636 -8.261 391 1HB ASP 49 2HB ASP 49 -6.449 -1.802 -8.796 392 2HB ASP 49 1HB ASP 49 -6.467 -3.465 -8.218 393 H GLU 50 H GLU 50 -8.446 -3.682 -5.599 394 HA GLU 50 HA GLU 50 -9.482 -6.085 -6.796 395 1HB GLU 50 2HB GLU 50 -7.965 -6.129 -4.799 396 2HB GLU 50 1HB GLU 50 -9.271 -5.430 -3.847 397 1HG GLU 50 2HG GLU 50 -10.667 -7.421 -4.575 398 2HG GLU 50 1HG GLU 50 -9.162 -8.130 -5.151 399 H LYS 51 H LYS 51 -10.650 -3.412 -4.866 400 HA LYS 51 HA LYS 51 -13.352 -4.527 -4.851 401 1HB LYS 51 2HB LYS 51 -12.451 -1.848 -3.775 402 2HB LYS 51 1HB LYS 51 -13.938 -2.708 -3.395 403 1HG LYS 51 2HG LYS 51 -12.499 -4.517 -2.392 404 2HG LYS 51 1HG LYS 51 -11.137 -3.405 -2.557 405 1HD LYS 51 2HD LYS 51 -11.904 -3.087 -0.361 406 2HD LYS 51 1HD LYS 51 -12.582 -1.733 -1.271 407 1HE LYS 51 2HE LYS 51 -14.311 -2.587 0.126 408 2HE LYS 51 1HE LYS 51 -14.677 -3.081 -1.524 409 1HZ LYS 51 1HZ LYS 51 -13.747 -5.266 -1.037 410 2HZ LYS 51 2HZ LYS 51 -15.016 -4.894 0.028 411 3HZ LYS 51 3HZ LYS 51 -13.410 -4.780 0.553 412 H GLN 52 H GLN 52 -11.292 -2.488 -6.570 413 HA GLN 52 HA GLN 52 -13.231 -0.793 -7.813 414 1HB GLN 52 2HB GLN 52 -10.692 -0.492 -7.598 415 2HB GLN 52 1HB GLN 52 -10.568 -1.603 -8.950 416 1HG GLN 52 2HG GLN 52 -10.417 0.641 -9.766 417 2HG GLN 52 1HG GLN 52 -11.935 -0.067 -10.311 418 1HE2 GLN 52 1HE2 GLN 52 -12.802 2.004 -10.632 419 2HE2 GLN 52 2HE2 GLN 52 -13.313 2.990 -9.310 420 H SER 53 H SER 53 -11.398 -3.607 -8.934 421 HA SER 53 HA SER 53 -13.046 -3.976 -11.262 422 1HB SER 53 2HB SER 53 -10.916 -5.758 -10.041 423 2HB SER 53 1HB SER 53 -11.628 -5.959 -11.643 424 HG SER 53 HG SER 53 -9.588 -4.379 -10.884 425 H GLY 54 H GLY 54 -13.396 -4.720 -8.013 426 1HA GLY 54 2HA GLY 54 -14.684 -7.247 -8.148 427 2HA GLY 54 1HA GLY 54 -14.843 -6.077 -6.842 428 H LEU 55 H LEU 55 -15.702 -4.015 -8.796 429 HA LEU 55 HA LEU 55 -17.564 -3.144 -9.721 430 1HB LEU 55 2HB LEU 55 -18.207 -6.018 -10.385 431 2HB LEU 55 1HB LEU 55 -19.014 -4.617 -11.061 432 HG LEU 55 HG LEU 55 -16.098 -5.301 -11.441 433 1HD1 LEU 55 1HD1 LEU 55 -17.547 -6.852 -12.615 434 2HD1 LEU 55 2HD1 LEU 55 -16.763 -5.763 -13.760 435 3HD1 LEU 55 3HD1 LEU 55 -18.450 -5.509 -13.314 436 1HD2 LEU 55 1HD2 LEU 55 -16.569 -2.883 -11.455 437 2HD2 LEU 55 2HD2 LEU 55 -17.775 -3.142 -12.715 438 3HD2 LEU 55 3HD2 LEU 55 -16.074 -3.482 -13.037 439 H TYR 56 H TYR 56 -17.967 -2.827 -7.282 440 HA TYR 56 HA TYR 56 -20.351 -4.174 -6.348 441 1HB TYR 56 2HB TYR 56 -20.153 -2.624 -4.416 442 2HB TYR 56 1HB TYR 56 -18.708 -3.583 -4.684 443 HD1 TYR 56 HD1 TYR 56 -20.169 -0.204 -5.111 444 HD2 TYR 56 HD2 TYR 56 -16.615 -2.543 -5.061 445 HE1 TYR 56 HE1 TYR 56 -18.820 1.851 -5.082 446 HE2 TYR 56 HE2 TYR 56 -15.260 -0.494 -5.043 447 HH TYR 56 HH TYR 56 -15.504 1.878 -5.708 448 H LYS 57 H LYS 57 -20.047 -2.345 -8.769 449 HA LYS 57 HA LYS 57 -21.435 -1.115 -10.024 450 1HB LYS 57 2HB LYS 57 -23.273 -1.095 -7.631 451 2HB LYS 57 1HB LYS 57 -23.665 -0.401 -9.201 452 1HG LYS 57 2HG LYS 57 -23.204 -2.706 -10.162 453 2HG LYS 57 1HG LYS 57 -23.227 -3.283 -8.497 454 1HD LYS 57 2HD LYS 57 -25.496 -2.387 -8.230 455 2HD LYS 57 1HD LYS 57 -25.471 -1.849 -9.911 456 1HE LYS 57 2HE LYS 57 -25.303 -4.687 -8.907 457 2HE LYS 57 1HE LYS 57 -26.656 -3.944 -9.760 458 1HZ LYS 57 1HZ LYS 57 -23.940 -4.426 -10.874 459 2HZ LYS 57 2HZ LYS 57 -25.219 -3.676 -11.702 460 3HZ LYS 57 3HZ LYS 57 -25.343 -5.307 -11.247 461 H LEU 58 H LEU 58 -19.813 0.324 -10.106 462 HA LEU 58 HA LEU 58 -19.482 2.506 -8.328 463 1HB LEU 58 2HB LEU 58 -18.711 2.162 -11.229 464 2HB LEU 58 1HB LEU 58 -18.184 3.488 -10.214 465 HG LEU 58 HG LEU 58 -17.556 0.587 -9.675 466 1HD1 LEU 58 1HD1 LEU 58 -15.800 2.728 -10.870 467 2HD1 LEU 58 2HD1 LEU 58 -16.509 1.374 -11.750 468 3HD1 LEU 58 3HD1 LEU 58 -15.320 1.077 -10.482 469 1HD2 LEU 58 1HD2 LEU 58 -16.519 3.141 -8.450 470 2HD2 LEU 58 2HD2 LEU 58 -15.893 1.527 -8.118 471 3HD2 LEU 58 3HD2 LEU 58 -17.547 1.940 -7.669 472 H GLU 59 H GLU 59 -21.204 2.062 -11.365 473 HA GLU 59 HA GLU 59 -22.266 4.700 -11.493 474 1HB GLU 59 2HB GLU 59 -22.066 3.140 -13.447 475 2HB GLU 59 1HB GLU 59 -23.375 2.185 -12.760 476 1HG GLU 59 2HG GLU 59 -24.839 4.175 -12.889 477 2HG GLU 59 1HG GLU 59 -23.529 5.044 -13.689 478 H HIS 60 H HIS 60 -24.109 5.513 -10.660 479 HA HIS 60 HA HIS 60 -25.094 4.229 -8.329 480 1HB HIS 60 2HB HIS 60 -25.908 6.762 -9.741 481 2HB HIS 60 1HB HIS 60 -26.693 6.200 -8.267 482 HD1 HIS 60 HD1 HIS 60 -24.437 8.643 -9.077 483 HD2 HIS 60 HD2 HIS 60 -24.224 5.457 -6.409 484 HE1 HIS 60 HE1 HIS 60 -22.670 9.271 -7.398 485 HE2 HIS 60 HE2 HIS 60 -22.391 7.223 -5.961 Start of MODEL 3 1 1H MET 1 1H MET 1 17.708 -0.870 16.229 2 2H MET 1 2H MET 1 17.364 -2.458 16.708 3 3H MET 1 3H MET 1 17.814 -1.306 17.864 4 HA MET 1 HA MET 1 15.468 -1.651 18.006 5 1HB MET 1 2HB MET 1 16.338 0.644 18.330 6 2HB MET 1 1HB MET 1 16.113 0.965 16.615 7 1HG MET 1 2HG MET 1 13.709 0.664 16.863 8 2HG MET 1 1HG MET 1 13.923 0.307 18.575 9 1HE MET 1 1HE MET 1 12.209 3.816 18.685 10 2HE MET 1 2HE MET 1 12.172 2.156 19.280 11 3HE MET 1 3HE MET 1 11.877 2.487 17.573 12 H LYS 2 H LYS 2 13.439 -1.845 17.022 13 HA LYS 2 HA LYS 2 13.552 -2.783 14.312 14 1HB LYS 2 2HB LYS 2 11.625 -2.900 16.530 15 2HB LYS 2 1HB LYS 2 10.899 -2.818 14.930 16 1HG LYS 2 2HG LYS 2 12.083 -4.796 14.236 17 2HG LYS 2 1HG LYS 2 12.972 -4.843 15.759 18 1HD LYS 2 2HD LYS 2 11.059 -6.452 15.613 19 2HD LYS 2 1HD LYS 2 10.994 -5.353 16.990 20 1HE LYS 2 2HE LYS 2 8.800 -5.615 15.929 21 2HE LYS 2 1HE LYS 2 9.382 -3.955 15.831 22 1HZ LYS 2 1HZ LYS 2 9.287 -5.975 13.660 23 2HZ LYS 2 2HZ LYS 2 10.173 -4.534 13.533 24 3HZ LYS 2 3HZ LYS 2 8.495 -4.478 13.736 25 H ARG 3 H ARG 3 14.086 -0.921 13.172 26 HA ARG 3 HA ARG 3 11.714 0.297 12.091 27 1HB ARG 3 2HB ARG 3 12.548 1.859 13.968 28 2HB ARG 3 1HB ARG 3 13.926 2.177 12.922 29 1HG ARG 3 2HG ARG 3 12.386 2.933 11.159 30 2HG ARG 3 1HG ARG 3 11.033 2.673 12.258 31 1HD ARG 3 2HD ARG 3 12.018 4.316 13.809 32 2HD ARG 3 1HD ARG 3 13.309 4.610 12.644 33 HE ARG 3 HE ARG 3 10.595 4.965 11.663 34 1HH1 ARG 3 1HH1 ARG 3 13.478 6.474 12.951 35 2HH1 ARG 3 2HH1 ARG 3 13.055 8.065 12.398 36 1HH2 ARG 3 1HH2 ARG 3 10.030 7.050 10.930 37 2HH2 ARG 3 2HH2 ARG 3 11.060 8.399 11.293 38 H GLN 4 H GLN 4 13.414 -1.615 11.167 39 HA GLN 4 HA GLN 4 15.599 -0.605 9.613 40 1HB GLN 4 2HB GLN 4 14.236 -3.278 9.339 41 2HB GLN 4 1HB GLN 4 15.900 -2.876 8.943 42 1HG GLN 4 2HG GLN 4 16.571 -2.904 11.144 43 2HG GLN 4 1HG GLN 4 14.941 -2.613 11.756 44 1HE2 GLN 4 1HE2 GLN 4 16.869 -4.698 12.450 45 2HE2 GLN 4 2HE2 GLN 4 16.073 -6.201 12.150 46 H LYS 5 H LYS 5 15.620 -1.622 7.228 47 HA LYS 5 HA LYS 5 13.608 -0.402 5.659 48 1HB LYS 5 2HB LYS 5 15.891 -2.217 5.146 49 2HB LYS 5 1HB LYS 5 14.599 -2.240 3.957 50 1HG LYS 5 2HG LYS 5 16.270 -0.702 3.241 51 2HG LYS 5 1HG LYS 5 14.840 0.209 3.720 52 1HD LYS 5 2HD LYS 5 15.866 0.789 5.827 53 2HD LYS 5 1HD LYS 5 17.265 -0.225 5.460 54 1HE LYS 5 2HE LYS 5 16.388 2.230 3.940 55 2HE LYS 5 1HE LYS 5 17.755 2.132 5.051 56 1HZ LYS 5 1HZ LYS 5 18.631 0.342 3.512 57 2HZ LYS 5 2HZ LYS 5 18.664 1.927 2.916 58 3HZ LYS 5 3HZ LYS 5 17.458 0.852 2.393 59 H ARG 6 H ARG 6 14.343 -3.872 5.949 60 HA ARG 6 HA ARG 6 11.952 -4.798 4.868 61 1HB ARG 6 2HB ARG 6 13.686 -6.390 5.074 62 2HB ARG 6 1HB ARG 6 13.896 -6.067 6.792 63 1HG ARG 6 2HG ARG 6 11.900 -7.199 7.345 64 2HG ARG 6 1HG ARG 6 11.380 -7.258 5.661 65 1HD ARG 6 2HD ARG 6 13.873 -8.626 6.647 66 2HD ARG 6 1HD ARG 6 12.292 -9.409 6.654 67 HE ARG 6 HE ARG 6 13.300 -8.299 4.141 68 1HH1 ARG 6 1HH1 ARG 6 12.533 -11.115 6.092 69 2HH1 ARG 6 2HH1 ARG 6 12.524 -12.201 4.733 70 1HH2 ARG 6 1HH2 ARG 6 13.275 -9.745 2.358 71 2HH2 ARG 6 2HH2 ARG 6 12.932 -11.422 2.628 72 H ASP 7 H ASP 7 12.727 -3.842 8.125 73 HA ASP 7 HA ASP 7 10.591 -4.867 9.552 74 1HB ASP 7 2HB ASP 7 12.588 -3.622 10.446 75 2HB ASP 7 1HB ASP 7 11.809 -2.131 9.938 76 H ARG 8 H ARG 8 10.768 -1.509 8.354 77 HA ARG 8 HA ARG 8 7.953 -1.207 8.849 78 1HB ARG 8 2HB ARG 8 8.252 1.099 8.410 79 2HB ARG 8 1HB ARG 8 9.666 0.563 9.303 80 1HG ARG 8 2HG ARG 8 10.858 0.397 7.090 81 2HG ARG 8 1HG ARG 8 9.471 1.233 6.381 82 1HD ARG 8 2HD ARG 8 9.826 3.005 8.171 83 2HD ARG 8 1HD ARG 8 11.374 2.228 8.488 84 HE ARG 8 HE ARG 8 10.612 3.672 6.046 85 1HH1 ARG 8 1HH1 ARG 8 13.055 1.993 7.913 86 2HH1 ARG 8 2HH1 ARG 8 14.379 2.689 7.040 87 1HH2 ARG 8 1HH2 ARG 8 12.352 4.586 4.897 88 2HH2 ARG 8 2HH2 ARG 8 13.987 4.156 5.306 89 H LEU 9 H LEU 9 9.803 -2.266 6.236 90 HA LEU 9 HA LEU 9 7.851 -1.614 4.206 91 1HB LEU 9 2HB LEU 9 10.272 -3.404 4.252 92 2HB LEU 9 1HB LEU 9 9.214 -3.303 2.860 93 HG LEU 9 HG LEU 9 10.781 -1.014 4.054 94 1HD1 LEU 9 1HD1 LEU 9 12.171 -2.665 2.891 95 2HD1 LEU 9 2HD1 LEU 9 12.118 -1.120 2.041 96 3HD1 LEU 9 3HD1 LEU 9 11.164 -2.485 1.454 97 1HD2 LEU 9 1HD2 LEU 9 10.036 0.239 2.085 98 2HD2 LEU 9 2HD2 LEU 9 8.685 -0.243 3.109 99 3HD2 LEU 9 3HD2 LEU 9 9.014 -1.120 1.614 100 H GLU 10 H GLU 10 8.662 -4.305 6.281 101 HA GLU 10 HA GLU 10 6.888 -6.246 5.318 102 1HB GLU 10 2HB GLU 10 8.591 -6.768 6.949 103 2HB GLU 10 1HB GLU 10 7.915 -5.625 8.095 104 1HG GLU 10 2HG GLU 10 5.883 -7.060 8.204 105 2HG GLU 10 1HG GLU 10 6.743 -8.244 7.219 106 H ARG 11 H ARG 11 6.490 -3.530 7.482 107 HA ARG 11 HA ARG 11 3.721 -4.192 8.039 108 1HB ARG 11 2HB ARG 11 5.239 -1.703 8.830 109 2HB ARG 11 1HB ARG 11 3.738 -2.298 9.530 110 1HG ARG 11 2HG ARG 11 6.399 -3.690 9.671 111 2HG ARG 11 1HG ARG 11 5.675 -2.732 10.959 112 1HD ARG 11 2HD ARG 11 3.900 -4.288 11.231 113 2HD ARG 11 1HD ARG 11 4.345 -5.145 9.754 114 HE ARG 11 HE ARG 11 6.250 -6.037 10.877 115 1HH1 ARG 11 1HH1 ARG 11 4.040 -4.282 12.979 116 2HH1 ARG 11 2HH1 ARG 11 4.660 -5.018 14.435 117 1HH2 ARG 11 1HH2 ARG 11 7.048 -6.976 12.792 118 2HH2 ARG 11 2HH2 ARG 11 6.363 -6.526 14.328 119 H ALA 12 H ALA 12 5.594 -1.973 6.079 120 HA ALA 12 HA ALA 12 3.546 -0.361 5.075 121 1HB ALA 12 1HB ALA 12 5.966 0.009 4.665 122 2HB ALA 12 2HB ALA 12 4.995 0.080 3.197 123 3HB ALA 12 3HB ALA 12 5.955 -1.357 3.548 124 H GLN 13 H GLN 13 4.548 -3.635 4.292 125 HA GLN 13 HA GLN 13 3.040 -3.945 1.916 126 1HB GLN 13 2HB GLN 13 4.765 -5.557 2.663 127 2HB GLN 13 1HB GLN 13 3.721 -6.042 3.994 128 1HG GLN 13 2HG GLN 13 2.037 -6.787 2.339 129 2HG GLN 13 1HG GLN 13 3.180 -6.401 1.053 130 1HE2 GLN 13 1HE2 GLN 13 3.260 -8.505 0.329 131 2HE2 GLN 13 2HE2 GLN 13 4.047 -9.770 1.211 132 H SER 14 H SER 14 2.270 -4.621 5.288 133 HA SER 14 HA SER 14 -0.412 -5.419 4.806 134 1HB SER 14 2HB SER 14 0.994 -4.499 7.337 135 2HB SER 14 1HB SER 14 -0.599 -5.272 7.286 136 HG SER 14 HG SER 14 0.731 -6.944 5.986 137 H GLN 15 H GLN 15 1.101 -2.395 5.846 138 HA GLN 15 HA GLN 15 -1.238 -0.908 6.276 139 1HB GLN 15 2HB GLN 15 0.942 -0.130 7.037 140 2HB GLN 15 1HB GLN 15 1.512 -0.027 5.382 141 1HG GLN 15 2HG GLN 15 1.059 2.174 6.056 142 2HG GLN 15 1HG GLN 15 -0.241 1.710 4.968 143 1HE2 GLN 15 1HE2 GLN 15 -1.630 0.134 7.029 144 2HE2 GLN 15 2HE2 GLN 15 -2.369 1.293 8.079 145 H GLY 16 H GLY 16 0.717 -1.426 3.376 146 1HA GLY 16 2HA GLY 16 -0.539 0.389 1.672 147 2HA GLY 16 1HA GLY 16 0.280 -1.076 1.157 148 H TYR 17 H TYR 17 -1.357 -3.018 2.325 149 HA TYR 17 HA TYR 17 -3.422 -3.153 0.410 150 1HB TYR 17 2HB TYR 17 -2.371 -5.138 1.493 151 2HB TYR 17 1HB TYR 17 -3.221 -4.730 2.983 152 HD1 TYR 17 HD2 TYR 17 -3.738 -5.643 -0.570 153 HD2 TYR 17 HD1 TYR 17 -5.447 -5.420 3.318 154 HE1 TYR 17 HE2 TYR 17 -5.702 -6.876 -1.371 155 HE2 TYR 17 HE1 TYR 17 -7.421 -6.650 2.523 156 HH TYR 17 HH TYR 17 -7.506 -8.161 -0.593 157 H LYS 18 H LYS 18 -3.381 -2.209 3.805 158 HA LYS 18 HA LYS 18 -6.220 -1.874 3.995 159 1HB LYS 18 2HB LYS 18 -4.498 -2.261 5.878 160 2HB LYS 18 1HB LYS 18 -4.184 -0.541 5.767 161 1HG LYS 18 2HG LYS 18 -6.422 -0.025 6.399 162 2HG LYS 18 1HG LYS 18 -6.900 -1.723 6.287 163 1HD LYS 18 2HD LYS 18 -5.169 -2.193 8.068 164 2HD LYS 18 1HD LYS 18 -5.043 -0.449 8.284 165 1HE LYS 18 2HE LYS 18 -7.377 -0.314 8.886 166 2HE LYS 18 1HE LYS 18 -7.591 -2.034 8.548 167 1HZ LYS 18 1HZ LYS 18 -7.366 -1.784 10.880 168 2HZ LYS 18 2HZ LYS 18 -5.984 -0.814 10.724 169 3HZ LYS 18 3HZ LYS 18 -5.913 -2.458 10.323 170 H ALA 19 H ALA 19 -3.698 -0.092 2.635 171 HA ALA 19 HA ALA 19 -4.859 2.524 3.088 172 1HB ALA 19 1HB ALA 19 -2.460 1.740 1.439 173 2HB ALA 19 2HB ALA 19 -2.425 2.255 3.126 174 3HB ALA 19 3HB ALA 19 -2.940 3.381 1.869 175 H GLY 20 H GLY 20 -4.775 0.073 0.619 176 1HA GLY 20 2HA GLY 20 -5.767 1.645 -1.514 177 2HA GLY 20 1HA GLY 20 -6.000 -0.084 -1.313 178 H LEU 21 H LEU 21 -7.284 0.029 1.186 179 HA LEU 21 HA LEU 21 -9.968 0.674 0.337 180 1HB LEU 21 2HB LEU 21 -9.522 -0.081 3.150 181 2HB LEU 21 1HB LEU 21 -10.662 -0.722 1.986 182 HG LEU 21 HG LEU 21 -7.738 -1.466 2.128 183 1HD1 LEU 21 1HD1 LEU 21 -8.958 -2.271 4.074 184 2HD1 LEU 21 2HD1 LEU 21 -8.535 -3.605 3.002 185 3HD1 LEU 21 3HD1 LEU 21 -10.185 -2.983 3.025 186 1HD2 LEU 21 1HD2 LEU 21 -8.637 -1.674 -0.119 187 2HD2 LEU 21 2HD2 LEU 21 -9.999 -2.617 0.493 188 3HD2 LEU 21 3HD2 LEU 21 -8.359 -3.265 0.590 189 H ASN 22 H ASN 22 -7.804 1.562 2.994 190 HA ASN 22 HA ASN 22 -9.694 3.587 3.891 191 1HB ASN 22 2HB ASN 22 -7.364 2.162 5.119 192 2HB ASN 22 1HB ASN 22 -7.922 3.688 5.800 193 1HD2 ASN 22 1HD2 ASN 22 -8.598 0.345 5.327 194 2HD2 ASN 22 2HD2 ASN 22 -9.998 0.255 6.343 195 H GLY 23 H GLY 23 -6.426 3.364 2.571 196 1HA GLY 23 2HA GLY 23 -5.751 6.051 3.464 197 2HA GLY 23 1HA GLY 23 -4.734 4.979 2.509 198 H ARG 24 H ARG 24 -7.141 4.585 0.758 199 HA ARG 24 HA ARG 24 -7.863 5.189 -1.239 200 1HB ARG 24 2HB ARG 24 -7.673 7.986 -0.166 201 2HB ARG 24 1HB ARG 24 -8.648 7.417 -1.500 202 1HG ARG 24 2HG ARG 24 -8.978 6.671 1.382 203 2HG ARG 24 1HG ARG 24 -10.044 7.708 0.430 204 1HD ARG 24 2HD ARG 24 -9.490 4.800 -0.156 205 2HD ARG 24 1HD ARG 24 -10.901 5.397 0.718 206 HE ARG 24 HE ARG 24 -11.241 6.748 -1.476 207 1HH1 ARG 24 1HH1 ARG 24 -10.000 3.465 -1.258 208 2HH1 ARG 24 2HH1 ARG 24 -10.673 2.973 -2.782 209 1HH2 ARG 24 1HH2 ARG 24 -12.124 6.101 -3.474 210 2HH2 ARG 24 2HH2 ARG 24 -11.905 4.475 -4.039 211 H SER 25 H SER 25 -5.456 7.700 -0.439 212 HA SER 25 HA SER 25 -4.514 7.542 -3.214 213 1HB SER 25 2HB SER 25 -3.979 9.622 -1.083 214 2HB SER 25 1HB SER 25 -3.443 9.714 -2.757 215 HG SER 25 HG SER 25 -5.967 10.106 -1.657 216 H GLN 26 H GLN 26 -2.133 7.890 -3.526 217 HA GLN 26 HA GLN 26 -0.640 5.941 -2.013 218 1HB GLN 26 2HB GLN 26 0.599 7.828 -3.983 219 2HB GLN 26 1HB GLN 26 1.000 6.149 -3.654 220 1HG GLN 26 2HG GLN 26 -0.975 5.389 -4.787 221 2HG GLN 26 1HG GLN 26 -1.539 7.046 -4.993 222 1HE2 GLN 26 1HE2 GLN 26 0.648 4.607 -6.086 223 2HE2 GLN 26 2HE2 GLN 26 1.171 5.424 -7.522 224 H GLU 27 H GLU 27 -1.312 9.209 -1.720 225 HA GLU 27 HA GLU 27 1.185 10.104 -0.643 226 1HB GLU 27 2HB GLU 27 -0.747 11.431 -1.822 227 2HB GLU 27 1HB GLU 27 -1.422 11.513 -0.200 228 1HG GLU 27 2HG GLU 27 -0.111 13.497 -0.787 229 2HG GLU 27 1HG GLU 27 0.545 12.640 0.607 230 H ALA 28 H ALA 28 -0.588 7.857 0.531 231 HA ALA 28 HA ALA 28 -0.640 8.799 3.313 232 1HB ALA 28 1HB ALA 28 -2.778 7.961 2.484 233 2HB ALA 28 2HB ALA 28 -2.133 6.900 3.738 234 3HB ALA 28 3HB ALA 28 -2.015 6.432 2.043 235 H CYS 29 H CYS 29 1.691 7.865 1.670 236 HA CYS 29 HA CYS 29 2.429 5.425 3.122 237 1HB CYS 29 2HB CYS 29 2.679 5.221 0.739 238 2HB CYS 29 1HB CYS 29 3.588 6.724 0.650 239 HG CYS 29 HG CYS 29 5.880 5.585 0.781 240 HA PRO 30 HA PRO 30 5.085 8.364 5.388 241 1HB PRO 30 2HB PRO 30 4.510 7.564 7.841 242 2HB PRO 30 1HB PRO 30 3.308 8.457 6.900 243 1HG PRO 30 2HG PRO 30 3.490 5.519 7.438 244 2HG PRO 30 1HG PRO 30 2.060 6.567 7.425 245 1HD PRO 30 2HD PRO 30 2.900 4.951 5.308 246 2HD PRO 30 1HD PRO 30 1.775 6.314 5.184 247 H TYR 31 H TYR 31 5.827 5.608 4.242 248 HA TYR 31 HA TYR 31 7.610 4.715 6.402 249 1HB TYR 31 2HB TYR 31 6.561 3.179 4.028 250 2HB TYR 31 1HB TYR 31 7.721 2.549 5.191 251 HD1 TYR 31 HD2 TYR 31 6.988 2.460 7.650 252 HD2 TYR 31 HD1 TYR 31 4.279 2.971 4.413 253 HE1 TYR 31 HE2 TYR 31 5.141 1.708 9.086 254 HE2 TYR 31 HE1 TYR 31 2.427 2.224 5.841 255 HH TYR 31 HH TYR 31 2.579 2.066 9.124 256 H GLN 32 H GLN 32 7.541 5.345 2.913 257 HA GLN 32 HA GLN 32 10.211 6.186 2.720 258 1HB GLN 32 2HB GLN 32 10.631 3.780 3.275 259 2HB GLN 32 1HB GLN 32 9.726 3.320 1.847 260 1HG GLN 32 2HG GLN 32 12.058 3.127 1.398 261 2HG GLN 32 1HG GLN 32 11.408 4.457 0.455 262 1HE2 GLN 32 1HE2 GLN 32 14.131 3.853 1.296 263 2HE2 GLN 32 2HE2 GLN 32 14.683 5.243 2.179 264 H GLN 33 H GLN 33 10.866 6.111 0.246 265 HA GLN 33 HA GLN 33 8.440 6.586 -1.299 266 1HB GLN 33 2HB GLN 33 11.301 7.379 -1.748 267 2HB GLN 33 1HB GLN 33 10.033 7.614 -2.932 268 1HG GLN 33 2HG GLN 33 8.796 8.970 -1.258 269 2HG GLN 33 1HG GLN 33 10.197 8.839 -0.195 270 1HE2 GLN 33 1HE2 GLN 33 8.946 10.162 -3.149 271 2HE2 GLN 33 2HE2 GLN 33 10.193 11.346 -3.383 272 H VAL 34 H VAL 34 11.672 5.350 -2.196 273 HA VAL 34 HA VAL 34 10.564 3.960 -4.433 274 HB VAL 34 HB VAL 34 13.330 3.653 -3.251 275 1HG1 VAL 34 1HG1 VAL 34 12.738 1.884 -4.822 276 2HG1 VAL 34 2HG1 VAL 34 13.962 2.950 -5.511 277 3HG1 VAL 34 3HG1 VAL 34 12.281 3.090 -6.024 278 1HG2 VAL 34 1HG2 VAL 34 12.910 5.988 -3.723 279 2HG2 VAL 34 2HG2 VAL 34 12.321 5.584 -5.337 280 3HG2 VAL 34 3HG2 VAL 34 14.018 5.327 -4.926 281 H ASP 35 H ASP 35 11.970 2.907 -1.353 282 HA ASP 35 HA ASP 35 11.676 0.121 -1.851 283 1HB ASP 35 2HB ASP 35 11.783 1.452 0.868 284 2HB ASP 35 1HB ASP 35 12.239 -0.199 0.470 285 H ALA 36 H ALA 36 9.726 2.558 -0.271 286 HA ALA 36 HA ALA 36 7.676 0.796 0.615 287 1HB ALA 36 1HB ALA 36 7.958 2.903 1.708 288 2HB ALA 36 2HB ALA 36 6.377 2.896 0.927 289 3HB ALA 36 3HB ALA 36 7.723 3.780 0.194 290 H ARG 37 H ARG 37 8.372 2.448 -2.361 291 HA ARG 37 HA ARG 37 5.814 2.363 -3.507 292 1HB ARG 37 2HB ARG 37 8.061 3.461 -4.309 293 2HB ARG 37 1HB ARG 37 8.290 1.929 -5.136 294 1HG ARG 37 2HG ARG 37 6.310 2.247 -6.428 295 2HG ARG 37 1HG ARG 37 5.867 3.675 -5.487 296 1HD ARG 37 2HD ARG 37 7.963 4.756 -6.246 297 2HD ARG 37 1HD ARG 37 8.274 3.360 -7.272 298 HE ARG 37 HE ARG 37 5.853 5.014 -7.620 299 1HH1 ARG 37 1HH1 ARG 37 8.762 3.523 -8.866 300 2HH1 ARG 37 2HH1 ARG 37 8.463 3.993 -10.514 301 1HH2 ARG 37 1HH2 ARG 37 5.452 5.656 -9.786 302 2HH2 ARG 37 2HH2 ARG 37 6.578 5.209 -11.032 303 H SER 38 H SER 38 8.508 0.040 -3.570 304 HA SER 38 HA SER 38 7.135 -1.793 -5.255 305 1HB SER 38 2HB SER 38 9.063 -3.331 -4.497 306 2HB SER 38 1HB SER 38 9.475 -1.873 -5.405 307 HG SER 38 HG SER 38 10.320 -2.582 -3.000 308 H TYR 39 H TYR 39 7.404 -1.396 -1.769 309 HA TYR 39 HA TYR 39 6.024 -3.931 -1.381 310 1HB TYR 39 2HB TYR 39 7.403 -2.040 0.474 311 2HB TYR 39 1HB TYR 39 6.247 -3.201 1.115 312 HD1 TYR 39 HD1 TYR 39 6.687 -5.616 0.928 313 HD2 TYR 39 HD2 TYR 39 9.576 -2.743 -0.289 314 HE1 TYR 39 HE1 TYR 39 8.419 -7.357 0.960 315 HE2 TYR 39 HE2 TYR 39 11.319 -4.479 -0.263 316 HH TYR 39 HH TYR 39 10.589 -7.811 -0.039 317 H TRP 40 H TRP 40 5.568 -0.618 -0.198 318 HA TRP 40 HA TRP 40 2.991 -1.086 0.843 319 1HB TRP 40 2HB TRP 40 4.519 0.703 1.600 320 2HB TRP 40 1HB TRP 40 4.302 1.522 0.063 321 HD1 TRP 40 HD1 TRP 40 2.579 0.916 3.398 322 HE1 TRP 40 HE1 TRP 40 0.569 2.509 3.599 323 HE3 TRP 40 HE3 TRP 40 2.528 2.773 -1.365 324 HZ2 TRP 40 HZ2 TRP 40 -0.842 4.312 1.972 325 HZ3 TRP 40 HZ3 TRP 40 0.808 4.428 -1.962 326 HH2 TRP 40 HH2 TRP 40 -0.844 5.180 -0.330 327 H LEU 41 H LEU 41 4.085 0.373 -2.244 328 HA LEU 41 HA LEU 41 1.403 1.160 -2.936 329 1HB LEU 41 2HB LEU 41 3.817 2.072 -3.663 330 2HB LEU 41 1HB LEU 41 3.531 0.980 -5.002 331 HG LEU 41 HG LEU 41 1.598 3.168 -4.237 332 1HD1 LEU 41 1HD1 LEU 41 3.748 4.168 -4.789 333 2HD1 LEU 41 2HD1 LEU 41 2.570 4.465 -6.070 334 3HD1 LEU 41 3HD1 LEU 41 3.813 3.230 -6.281 335 1HD2 LEU 41 1HD2 LEU 41 0.656 1.368 -5.591 336 2HD2 LEU 41 2HD2 LEU 41 1.960 1.555 -6.763 337 3HD2 LEU 41 3HD2 LEU 41 0.790 2.856 -6.531 338 H GLY 42 H GLY 42 3.451 -1.586 -3.446 339 1HA GLY 42 2HA GLY 42 2.052 -2.830 -5.548 340 2HA GLY 42 1HA GLY 42 3.014 -3.659 -4.333 341 H GLY 43 H GLY 43 1.708 -3.190 -2.019 342 1HA GLY 43 2HA GLY 43 -0.589 -4.867 -2.193 343 2HA GLY 43 1HA GLY 43 -0.045 -4.005 -0.761 344 H TRP 44 H TRP 44 -0.095 -1.405 -1.912 345 HA TRP 44 HA TRP 44 -2.709 -0.562 -1.466 346 1HB TRP 44 2HB TRP 44 -0.791 0.959 -1.372 347 2HB TRP 44 1HB TRP 44 -0.524 0.760 -3.098 348 HD1 TRP 44 HD1 TRP 44 -2.839 2.510 -0.607 349 HE1 TRP 44 HE1 TRP 44 -4.142 4.352 -1.847 350 HE3 TRP 44 HE3 TRP 44 -1.412 1.431 -5.398 351 HZ2 TRP 44 HZ2 TRP 44 -4.515 5.228 -4.508 352 HZ3 TRP 44 HZ3 TRP 44 -2.288 2.814 -7.232 353 HH2 TRP 44 HH2 TRP 44 -3.808 4.674 -6.794 354 H ARG 45 H ARG 45 -1.006 -1.116 -4.534 355 HA ARG 45 HA ARG 45 -3.070 -0.347 -6.255 356 1HB ARG 45 2HB ARG 45 -0.571 -0.877 -6.723 357 2HB ARG 45 1HB ARG 45 -1.112 -2.534 -6.926 358 1HG ARG 45 2HG ARG 45 -2.214 -0.217 -8.498 359 2HG ARG 45 1HG ARG 45 -0.864 -1.216 -9.033 360 1HD ARG 45 2HD ARG 45 -2.333 -3.199 -8.924 361 2HD ARG 45 1HD ARG 45 -3.675 -2.150 -8.466 362 HE ARG 45 HE ARG 45 -2.468 -1.280 -10.886 363 1HH1 ARG 45 1HH1 ARG 45 -4.622 -3.734 -9.600 364 2HH1 ARG 45 2HH1 ARG 45 -5.499 -3.908 -11.089 365 1HH2 ARG 45 1HH2 ARG 45 -3.604 -1.542 -12.847 366 2HH2 ARG 45 2HH2 ARG 45 -4.883 -2.724 -12.945 367 H ASP 46 H ASP 46 -2.252 -3.540 -4.927 368 HA ASP 46 HA ASP 46 -4.143 -5.067 -6.282 369 1HB ASP 46 2HB ASP 46 -2.323 -5.970 -4.805 370 2HB ASP 46 1HB ASP 46 -3.288 -5.495 -3.410 371 H ALA 47 H ALA 47 -4.445 -3.682 -3.023 372 HA ALA 47 HA ALA 47 -7.152 -4.362 -2.672 373 1HB ALA 47 1HB ALA 47 -7.099 -2.842 -0.784 374 2HB ALA 47 2HB ALA 47 -5.595 -2.137 -1.372 375 3HB ALA 47 3HB ALA 47 -5.629 -3.817 -0.834 376 H ARG 48 H ARG 48 -5.609 -1.419 -3.852 377 HA ARG 48 HA ARG 48 -7.783 0.298 -3.906 378 1HB ARG 48 2HB ARG 48 -5.429 0.936 -4.335 379 2HB ARG 48 1HB ARG 48 -5.511 0.140 -5.896 380 1HG ARG 48 2HG ARG 48 -5.730 2.509 -6.187 381 2HG ARG 48 1HG ARG 48 -7.265 1.733 -6.580 382 1HD ARG 48 2HD ARG 48 -8.259 2.454 -4.569 383 2HD ARG 48 1HD ARG 48 -6.703 2.889 -3.862 384 HE ARG 48 HE ARG 48 -6.625 4.792 -5.299 385 1HH1 ARG 48 1HH1 ARG 48 -9.678 3.085 -5.330 386 2HH1 ARG 48 2HH1 ARG 48 -10.559 4.417 -6.028 387 1HH2 ARG 48 1HH2 ARG 48 -7.752 6.531 -6.198 388 2HH2 ARG 48 2HH2 ARG 48 -9.463 6.392 -6.508 389 H ASP 49 H ASP 49 -6.616 -1.817 -6.539 390 HA ASP 49 HA ASP 49 -8.878 -1.089 -8.178 391 1HB ASP 49 2HB ASP 49 -6.649 -1.455 -9.171 392 2HB ASP 49 1HB ASP 49 -6.731 -3.148 -8.692 393 H GLU 50 H GLU 50 -8.396 -3.362 -5.759 394 HA GLU 50 HA GLU 50 -10.197 -5.340 -6.898 395 1HB GLU 50 2HB GLU 50 -8.269 -5.998 -5.406 396 2HB GLU 50 1HB GLU 50 -9.124 -5.237 -4.071 397 1HG GLU 50 2HG GLU 50 -10.980 -6.775 -4.362 398 2HG GLU 50 1HG GLU 50 -10.161 -7.521 -5.732 399 H LYS 51 H LYS 51 -10.172 -2.627 -4.793 400 HA LYS 51 HA LYS 51 -12.926 -3.020 -3.937 401 1HB LYS 51 2HB LYS 51 -11.281 -1.980 -2.395 402 2HB LYS 51 1HB LYS 51 -11.024 -0.685 -3.552 403 1HG LYS 51 2HG LYS 51 -13.347 0.018 -3.282 404 2HG LYS 51 1HG LYS 51 -13.597 -1.280 -2.111 405 1HD LYS 51 2HD LYS 51 -11.921 -0.298 -0.641 406 2HD LYS 51 1HD LYS 51 -11.605 0.972 -1.825 407 1HE LYS 51 2HE LYS 51 -13.051 1.787 -0.046 408 2HE LYS 51 1HE LYS 51 -13.910 1.761 -1.586 409 1HZ LYS 51 1HZ LYS 51 -14.130 -0.288 0.552 410 2HZ LYS 51 2HZ LYS 51 -14.958 -0.308 -0.925 411 3HZ LYS 51 3HZ LYS 51 -15.281 0.908 0.207 412 H GLN 52 H GLN 52 -11.045 -1.719 -6.407 413 HA GLN 52 HA GLN 52 -12.973 0.236 -7.334 414 1HB GLN 52 2HB GLN 52 -10.383 0.257 -7.524 415 2HB GLN 52 1HB GLN 52 -10.631 -0.797 -8.906 416 1HG GLN 52 2HG GLN 52 -12.047 1.833 -8.722 417 2HG GLN 52 1HG GLN 52 -10.385 1.738 -9.296 418 1HE2 GLN 52 1HE2 GLN 52 -10.673 -0.782 -10.639 419 2HE2 GLN 52 2HE2 GLN 52 -11.673 -0.514 -12.026 420 H SER 53 H SER 53 -11.550 -2.676 -8.802 421 HA SER 53 HA SER 53 -13.607 -2.823 -10.790 422 1HB SER 53 2HB SER 53 -11.395 -4.755 -10.068 423 2HB SER 53 1HB SER 53 -12.436 -4.895 -11.486 424 HG SER 53 HG SER 53 -10.331 -3.138 -10.975 425 H GLY 54 H GLY 54 -13.208 -4.063 -7.613 426 1HA GLY 54 2HA GLY 54 -14.701 -6.431 -7.745 427 2HA GLY 54 1HA GLY 54 -14.506 -5.433 -6.312 428 H LEU 55 H LEU 55 -15.739 -3.117 -7.057 429 HA LEU 55 HA LEU 55 -18.517 -3.991 -7.504 430 1HB LEU 55 2HB LEU 55 -17.385 -1.786 -5.802 431 2HB LEU 55 1HB LEU 55 -19.052 -1.756 -6.346 432 HG LEU 55 HG LEU 55 -19.026 -2.611 -4.117 433 1HD1 LEU 55 1HD1 LEU 55 -20.013 -4.818 -4.404 434 2HD1 LEU 55 2HD1 LEU 55 -19.363 -4.903 -6.042 435 3HD1 LEU 55 3HD1 LEU 55 -20.584 -3.695 -5.640 436 1HD2 LEU 55 1HD2 LEU 55 -17.748 -4.596 -3.465 437 2HD2 LEU 55 2HD2 LEU 55 -16.693 -3.276 -3.972 438 3HD2 LEU 55 3HD2 LEU 55 -16.996 -4.631 -5.059 439 H TYR 56 H TYR 56 -16.642 -3.366 -9.571 440 HA TYR 56 HA TYR 56 -17.114 -0.725 -10.535 441 1HB TYR 56 2HB TYR 56 -15.105 -2.076 -11.129 442 2HB TYR 56 1HB TYR 56 -16.139 -3.153 -12.056 443 HD1 TYR 56 HD1 TYR 56 -15.294 0.484 -11.813 444 HD2 TYR 56 HD2 TYR 56 -16.333 -2.788 -14.327 445 HE1 TYR 56 HE1 TYR 56 -14.996 1.912 -13.794 446 HE2 TYR 56 HE2 TYR 56 -16.042 -1.367 -16.308 447 HH TYR 56 HH TYR 56 -15.900 0.832 -17.000 448 H LYS 57 H LYS 57 -19.529 -1.145 -10.040 449 HA LYS 57 HA LYS 57 -20.811 -2.173 -12.486 450 1HB LYS 57 2HB LYS 57 -21.475 -3.001 -10.124 451 2HB LYS 57 1HB LYS 57 -22.288 -1.447 -9.967 452 1HG LYS 57 2HG LYS 57 -23.730 -1.931 -11.800 453 2HG LYS 57 1HG LYS 57 -22.810 -3.379 -12.212 454 1HD LYS 57 2HD LYS 57 -23.436 -4.302 -9.968 455 2HD LYS 57 1HD LYS 57 -24.510 -2.916 -9.767 456 1HE LYS 57 2HE LYS 57 -25.743 -4.849 -10.584 457 2HE LYS 57 1HE LYS 57 -25.725 -3.562 -11.789 458 1HZ LYS 57 1HZ LYS 57 -25.305 -5.685 -12.827 459 2HZ LYS 57 2HZ LYS 57 -23.995 -5.980 -11.787 460 3HZ LYS 57 3HZ LYS 57 -23.906 -4.728 -12.922 461 H LEU 58 H LEU 58 -19.554 0.568 -11.521 462 HA LEU 58 HA LEU 58 -21.615 2.449 -12.079 463 1HB LEU 58 2HB LEU 58 -19.719 4.059 -12.345 464 2HB LEU 58 1HB LEU 58 -19.779 3.242 -10.801 465 HG LEU 58 HG LEU 58 -18.039 2.003 -12.851 466 1HD1 LEU 58 1HD1 LEU 58 -17.322 4.605 -11.505 467 2HD1 LEU 58 2HD1 LEU 58 -17.609 4.379 -13.231 468 3HD1 LEU 58 3HD1 LEU 58 -16.232 3.595 -12.456 469 1HD2 LEU 58 1HD2 LEU 58 -17.701 2.663 -9.922 470 2HD2 LEU 58 2HD2 LEU 58 -16.578 1.719 -10.901 471 3HD2 LEU 58 3HD2 LEU 58 -18.197 1.106 -10.580 472 H GLU 59 H GLU 59 -21.121 4.087 -13.957 473 HA GLU 59 HA GLU 59 -21.253 4.491 -16.183 474 1HB GLU 59 2HB GLU 59 -19.008 3.415 -16.311 475 2HB GLU 59 1HB GLU 59 -19.796 1.868 -16.580 476 1HG GLU 59 2HG GLU 59 -20.697 2.632 -18.670 477 2HG GLU 59 1HG GLU 59 -20.086 4.260 -18.385 478 H HIS 60 H HIS 60 -22.771 2.123 -14.572 479 HA HIS 60 HA HIS 60 -24.575 1.622 -16.832 480 1HB HIS 60 2HB HIS 60 -23.769 -0.216 -14.587 481 2HB HIS 60 1HB HIS 60 -25.282 -0.453 -15.460 482 HD1 HIS 60 HD1 HIS 60 -21.739 -1.281 -15.626 483 HD2 HIS 60 HD2 HIS 60 -24.850 -0.762 -18.336 484 HE1 HIS 60 HE1 HIS 60 -20.963 -2.350 -17.765 485 HE2 HIS 60 HE2 HIS 60 -22.774 -1.822 -19.440 Start of MODEL 4 1 1H MET 1 1H MET 1 24.400 -4.848 12.816 2 2H MET 1 2H MET 1 23.765 -4.608 14.368 3 3H MET 1 3H MET 1 25.085 -3.688 13.840 4 HA MET 1 HA MET 1 22.993 -2.451 13.821 5 1HB MET 1 2HB MET 1 24.776 -1.763 12.329 6 2HB MET 1 1HB MET 1 24.303 -2.977 11.148 7 1HG MET 1 2HG MET 1 23.576 -0.749 10.496 8 2HG MET 1 1HG MET 1 22.207 -1.826 10.763 9 1HE MET 1 1HE MET 1 21.896 1.333 10.564 10 2HE MET 1 2HE MET 1 20.784 1.638 11.900 11 3HE MET 1 3HE MET 1 20.546 0.235 10.858 12 H LYS 2 H LYS 2 20.908 -2.757 13.796 13 HA LYS 2 HA LYS 2 19.741 -4.992 12.384 14 1HB LYS 2 2HB LYS 2 19.025 -4.359 14.672 15 2HB LYS 2 1HB LYS 2 18.436 -2.827 14.046 16 1HG LYS 2 2HG LYS 2 16.751 -3.952 12.746 17 2HG LYS 2 1HG LYS 2 17.396 -5.528 13.213 18 1HD LYS 2 2HD LYS 2 16.887 -5.008 15.568 19 2HD LYS 2 1HD LYS 2 16.196 -3.469 15.062 20 1HE LYS 2 2HE LYS 2 15.201 -6.129 14.071 21 2HE LYS 2 1HE LYS 2 14.552 -5.329 15.501 22 1HZ LYS 2 1HZ LYS 2 14.048 -3.392 14.042 23 2HZ LYS 2 2HZ LYS 2 13.171 -4.790 13.673 24 3HZ LYS 2 3HZ LYS 2 14.479 -4.342 12.700 25 H ARG 3 H ARG 3 19.264 -4.826 10.297 26 HA ARG 3 HA ARG 3 18.778 -2.252 9.091 27 1HB ARG 3 2HB ARG 3 18.997 -5.031 7.964 28 2HB ARG 3 1HB ARG 3 18.378 -3.703 6.993 29 1HG ARG 3 2HG ARG 3 20.611 -3.727 6.431 30 2HG ARG 3 1HG ARG 3 20.552 -2.489 7.686 31 1HD ARG 3 2HD ARG 3 22.386 -3.727 8.325 32 2HD ARG 3 1HD ARG 3 21.105 -4.472 9.282 33 HE ARG 3 HE ARG 3 21.620 -5.703 6.710 34 1HH1 ARG 3 1HH1 ARG 3 22.283 -5.708 10.138 35 2HH1 ARG 3 2HH1 ARG 3 22.876 -7.341 10.154 36 1HH2 ARG 3 1HH2 ARG 3 22.446 -7.819 6.693 37 2HH2 ARG 3 2HH2 ARG 3 23.011 -8.534 8.181 38 H GLN 4 H GLN 4 17.020 -1.929 10.521 39 HA GLN 4 HA GLN 4 14.626 -3.426 10.432 40 1HB GLN 4 2HB GLN 4 13.671 -1.452 11.631 41 2HB GLN 4 1HB GLN 4 15.093 -2.164 12.371 42 1HG GLN 4 2HG GLN 4 16.411 -0.346 11.145 43 2HG GLN 4 1HG GLN 4 14.846 0.434 10.907 44 1HE2 GLN 4 1HE2 GLN 4 15.373 2.190 12.212 45 2HE2 GLN 4 2HE2 GLN 4 15.496 2.048 13.938 46 H LYS 5 H LYS 5 15.796 -1.910 7.914 47 HA LYS 5 HA LYS 5 13.675 -0.379 6.884 48 1HB LYS 5 2HB LYS 5 15.660 -2.150 5.444 49 2HB LYS 5 1HB LYS 5 14.615 -0.972 4.664 50 1HG LYS 5 2HG LYS 5 16.635 -0.273 6.771 51 2HG LYS 5 1HG LYS 5 16.968 -0.229 5.034 52 1HD LYS 5 2HD LYS 5 14.959 1.318 4.847 53 2HD LYS 5 1HD LYS 5 15.016 1.437 6.608 54 1HE LYS 5 2HE LYS 5 17.218 2.175 4.687 55 2HE LYS 5 1HE LYS 5 16.194 3.292 5.588 56 1HZ LYS 5 1HZ LYS 5 18.166 1.382 6.735 57 2HZ LYS 5 2HZ LYS 5 17.109 2.336 7.653 58 3HZ LYS 5 3HZ LYS 5 18.296 3.076 6.696 59 H ARG 6 H ARG 6 14.423 -3.818 6.760 60 HA ARG 6 HA ARG 6 12.326 -4.658 5.117 61 1HB ARG 6 2HB ARG 6 14.335 -5.999 5.840 62 2HB ARG 6 1HB ARG 6 13.542 -6.231 7.391 63 1HG ARG 6 2HG ARG 6 11.616 -7.019 5.606 64 2HG ARG 6 1HG ARG 6 13.108 -7.573 4.845 65 1HD ARG 6 2HD ARG 6 12.462 -9.359 6.205 66 2HD ARG 6 1HD ARG 6 13.706 -8.527 7.142 67 HE ARG 6 HE ARG 6 10.808 -8.497 7.660 68 1HH1 ARG 6 1HH1 ARG 6 14.076 -7.680 8.654 69 2HH1 ARG 6 2HH1 ARG 6 13.625 -7.285 10.283 70 1HH2 ARG 6 1HH2 ARG 6 10.203 -7.970 9.804 71 2HH2 ARG 6 2HH2 ARG 6 11.404 -7.404 10.928 72 H ASP 7 H ASP 7 12.505 -4.176 8.603 73 HA ASP 7 HA ASP 7 10.072 -5.309 9.363 74 1HB ASP 7 2HB ASP 7 11.499 -2.924 10.568 75 2HB ASP 7 1HB ASP 7 10.176 -3.796 11.336 76 H ARG 8 H ARG 8 10.769 -1.886 8.684 77 HA ARG 8 HA ARG 8 8.029 -1.135 8.863 78 1HB ARG 8 2HB ARG 8 8.816 1.062 7.976 79 2HB ARG 8 1HB ARG 8 9.690 0.509 9.394 80 1HG ARG 8 2HG ARG 8 11.469 -0.342 7.829 81 2HG ARG 8 1HG ARG 8 10.628 0.520 6.541 82 1HD ARG 8 2HD ARG 8 11.591 1.826 9.078 83 2HD ARG 8 1HD ARG 8 12.536 1.766 7.595 84 HE ARG 8 HE ARG 8 10.695 3.056 6.555 85 1HH1 ARG 8 1HH1 ARG 8 10.991 3.080 10.047 86 2HH1 ARG 8 2HH1 ARG 8 10.338 4.690 10.214 87 1HH2 ARG 8 1HH2 ARG 8 9.840 5.172 6.775 88 2HH2 ARG 8 2HH2 ARG 8 9.668 5.867 8.360 89 H LEU 9 H LEU 9 9.974 -2.379 6.297 90 HA LEU 9 HA LEU 9 8.275 -1.424 4.195 91 1HB LEU 9 2HB LEU 9 10.513 -3.419 4.302 92 2HB LEU 9 1HB LEU 9 9.547 -3.207 2.851 93 HG LEU 9 HG LEU 9 11.070 -0.979 4.197 94 1HD1 LEU 9 1HD1 LEU 9 12.579 -2.706 3.289 95 2HD1 LEU 9 2HD1 LEU 9 12.697 -1.173 2.426 96 3HD1 LEU 9 3HD1 LEU 9 11.806 -2.522 1.715 97 1HD2 LEU 9 1HD2 LEU 9 10.633 0.212 2.102 98 2HD2 LEU 9 2HD2 LEU 9 9.142 -0.228 2.935 99 3HD2 LEU 9 3HD2 LEU 9 9.676 -1.158 1.534 100 H GLU 10 H GLU 10 8.608 -4.536 5.913 101 HA GLU 10 HA GLU 10 6.478 -5.752 4.458 102 1HB GLU 10 2HB GLU 10 7.627 -6.443 7.167 103 2HB GLU 10 1HB GLU 10 6.478 -7.439 6.284 104 1HG GLU 10 2HG GLU 10 8.150 -7.528 4.416 105 2HG GLU 10 1HG GLU 10 9.305 -6.774 5.515 106 H ARG 11 H ARG 11 6.654 -3.569 7.093 107 HA ARG 11 HA ARG 11 3.948 -3.912 7.983 108 1HB ARG 11 2HB ARG 11 6.103 -1.890 8.481 109 2HB ARG 11 1HB ARG 11 4.445 -1.519 8.936 110 1HG ARG 11 2HG ARG 11 5.928 -3.972 9.841 111 2HG ARG 11 1HG ARG 11 5.824 -2.471 10.767 112 1HD ARG 11 2HD ARG 11 3.434 -2.658 10.901 113 2HD ARG 11 1HD ARG 11 3.441 -4.053 9.824 114 HE ARG 11 HE ARG 11 4.752 -5.178 11.659 115 1HH1 ARG 11 1HH1 ARG 11 2.548 -2.541 12.334 116 2HH1 ARG 11 2HH1 ARG 11 2.116 -3.145 13.906 117 1HH2 ARG 11 1HH2 ARG 11 4.211 -5.960 13.710 118 2HH2 ARG 11 2HH2 ARG 11 3.078 -5.092 14.705 119 H ALA 12 H ALA 12 5.696 -1.757 5.832 120 HA ALA 12 HA ALA 12 3.515 -0.195 4.987 121 1HB ALA 12 1HB ALA 12 5.961 0.274 4.601 122 2HB ALA 12 2HB ALA 12 4.908 0.532 3.217 123 3HB ALA 12 3HB ALA 12 5.904 -0.920 3.304 124 H GLN 13 H GLN 13 4.734 -3.330 4.024 125 HA GLN 13 HA GLN 13 3.278 -3.698 1.653 126 1HB GLN 13 2HB GLN 13 5.093 -5.185 2.441 127 2HB GLN 13 1HB GLN 13 4.040 -5.772 3.720 128 1HG GLN 13 2HG GLN 13 2.497 -6.640 2.007 129 2HG GLN 13 1HG GLN 13 3.631 -6.119 0.762 130 1HE2 GLN 13 1HE2 GLN 13 3.964 -8.199 0.010 131 2HE2 GLN 13 2HE2 GLN 13 4.880 -9.373 0.890 132 H SER 14 H SER 14 2.439 -4.510 5.004 133 HA SER 14 HA SER 14 -0.176 -5.462 4.332 134 1HB SER 14 2HB SER 14 1.136 -6.234 6.326 135 2HB SER 14 1HB SER 14 0.912 -4.640 7.045 136 HG SER 14 HG SER 14 -0.785 -6.762 6.944 137 H GLN 15 H GLN 15 1.168 -2.467 5.646 138 HA GLN 15 HA GLN 15 -1.241 -1.153 6.209 139 1HB GLN 15 2HB GLN 15 1.064 -0.405 6.901 140 2HB GLN 15 1HB GLN 15 1.316 0.149 5.252 141 1HG GLN 15 2HG GLN 15 0.702 2.063 6.435 142 2HG GLN 15 1HG GLN 15 -0.763 1.580 5.580 143 1HE2 GLN 15 1HE2 GLN 15 0.526 0.036 8.442 144 2HE2 GLN 15 2HE2 GLN 15 -0.768 0.482 9.508 145 H GLY 16 H GLY 16 0.681 -1.364 3.257 146 1HA GLY 16 2HA GLY 16 -0.670 0.551 1.730 147 2HA GLY 16 1HA GLY 16 0.227 -0.816 1.085 148 H TYR 17 H TYR 17 -1.325 -2.922 2.114 149 HA TYR 17 HA TYR 17 -3.386 -3.014 0.184 150 1HB TYR 17 2HB TYR 17 -2.257 -5.032 1.059 151 2HB TYR 17 1HB TYR 17 -3.026 -4.771 2.622 152 HD1 TYR 17 HD1 TYR 17 -3.877 -5.253 -0.979 153 HD2 TYR 17 HD2 TYR 17 -5.055 -5.809 3.072 154 HE1 TYR 17 HE1 TYR 17 -5.830 -6.544 -1.731 155 HE2 TYR 17 HE2 TYR 17 -7.006 -7.104 2.331 156 HH TYR 17 HH TYR 17 -7.379 -8.193 -0.902 157 H LYS 18 H LYS 18 -3.371 -2.309 3.634 158 HA LYS 18 HA LYS 18 -6.226 -2.046 3.795 159 1HB LYS 18 2HB LYS 18 -4.877 -2.641 5.750 160 2HB LYS 18 1HB LYS 18 -4.051 -1.096 5.670 161 1HG LYS 18 2HG LYS 18 -6.048 0.072 6.255 162 2HG LYS 18 1HG LYS 18 -7.009 -1.404 6.116 163 1HD LYS 18 2HD LYS 18 -5.847 -2.386 7.993 164 2HD LYS 18 1HD LYS 18 -4.757 -0.999 8.083 165 1HE LYS 18 2HE LYS 18 -7.746 -0.848 8.455 166 2HE LYS 18 1HE LYS 18 -6.587 -0.987 9.776 167 1HZ LYS 18 1HZ LYS 18 -5.572 1.096 9.032 168 2HZ LYS 18 2HZ LYS 18 -7.203 1.301 9.451 169 3HZ LYS 18 3HZ LYS 18 -6.748 1.240 7.819 170 H ALA 19 H ALA 19 -3.624 -0.045 2.819 171 HA ALA 19 HA ALA 19 -4.939 2.469 3.330 172 1HB ALA 19 1HB ALA 19 -2.441 1.896 1.742 173 2HB ALA 19 2HB ALA 19 -2.499 2.286 3.462 174 3HB ALA 19 3HB ALA 19 -3.001 3.484 2.269 175 H GLY 20 H GLY 20 -4.764 0.179 0.751 176 1HA GLY 20 2HA GLY 20 -5.684 1.922 -1.305 177 2HA GLY 20 1HA GLY 20 -5.816 0.173 -1.290 178 H LEU 21 H LEU 21 -7.158 0.433 1.394 179 HA LEU 21 HA LEU 21 -9.857 0.923 0.355 180 1HB LEU 21 2HB LEU 21 -9.566 -0.157 3.076 181 2HB LEU 21 1HB LEU 21 -10.612 -0.675 1.772 182 HG LEU 21 HG LEU 21 -7.688 -1.380 2.032 183 1HD1 LEU 21 1HD1 LEU 21 -10.152 -3.032 2.549 184 2HD1 LEU 21 2HD1 LEU 21 -9.022 -2.435 3.764 185 3HD1 LEU 21 3HD1 LEU 21 -8.491 -3.621 2.572 186 1HD2 LEU 21 1HD2 LEU 21 -8.147 -2.990 0.251 187 2HD2 LEU 21 2HD2 LEU 21 -8.404 -1.332 -0.287 188 3HD2 LEU 21 3HD2 LEU 21 -9.788 -2.358 0.098 189 H ASN 22 H ASN 22 -7.767 1.574 3.116 190 HA ASN 22 HA ASN 22 -9.645 3.508 4.225 191 1HB ASN 22 2HB ASN 22 -7.235 2.047 5.221 192 2HB ASN 22 1HB ASN 22 -7.712 3.549 6.009 193 1HD2 ASN 22 1HD2 ASN 22 -10.052 1.399 4.587 194 2HD2 ASN 22 2HD2 ASN 22 -10.732 0.831 6.071 195 H GLY 23 H GLY 23 -6.446 3.414 2.731 196 1HA GLY 23 2HA GLY 23 -5.784 6.053 3.774 197 2HA GLY 23 1HA GLY 23 -4.755 5.034 2.779 198 H ARG 24 H ARG 24 -7.288 4.776 1.048 199 HA ARG 24 HA ARG 24 -8.014 5.521 -0.910 200 1HB ARG 24 2HB ARG 24 -7.578 8.207 0.368 201 2HB ARG 24 1HB ARG 24 -8.514 7.879 -1.071 202 1HG ARG 24 2HG ARG 24 -10.074 6.532 0.181 203 2HG ARG 24 1HG ARG 24 -9.118 6.773 1.643 204 1HD ARG 24 2HD ARG 24 -9.585 9.135 1.623 205 2HD ARG 24 1HD ARG 24 -10.404 8.997 0.066 206 HE ARG 24 HE ARG 24 -11.890 7.357 1.505 207 1HH1 ARG 24 1HH1 ARG 24 -10.630 10.510 2.369 208 2HH1 ARG 24 2HH1 ARG 24 -11.948 10.888 3.436 209 1HH2 ARG 24 1HH2 ARG 24 -13.616 7.844 2.932 210 2HH2 ARG 24 2HH2 ARG 24 -13.630 9.367 3.769 211 H SER 25 H SER 25 -5.502 7.928 -0.137 212 HA SER 25 HA SER 25 -4.613 7.810 -2.922 213 1HB SER 25 2HB SER 25 -3.690 9.705 -0.763 214 2HB SER 25 1HB SER 25 -3.524 9.901 -2.500 215 HG SER 25 HG SER 25 -5.312 11.046 -1.283 216 H GLN 26 H GLN 26 -2.183 8.155 -3.219 217 HA GLN 26 HA GLN 26 -0.698 6.126 -1.755 218 1HB GLN 26 2HB GLN 26 0.336 8.030 -3.866 219 2HB GLN 26 1HB GLN 26 1.053 6.508 -3.361 220 1HG GLN 26 2HG GLN 26 -0.778 5.276 -4.316 221 2HG GLN 26 1HG GLN 26 -1.611 6.774 -4.731 222 1HE2 GLN 26 1HE2 GLN 26 -1.655 6.189 -6.917 223 2HE2 GLN 26 2HE2 GLN 26 -0.242 6.249 -7.917 224 H GLU 27 H GLU 27 -1.420 9.347 -1.433 225 HA GLU 27 HA GLU 27 0.978 10.434 -0.381 226 1HB GLU 27 2HB GLU 27 -1.224 11.570 -1.222 227 2HB GLU 27 1HB GLU 27 -1.760 11.355 0.437 228 1HG GLU 27 2HG GLU 27 -0.888 13.557 0.183 229 2HG GLU 27 1HG GLU 27 0.218 12.627 1.196 230 H ALA 28 H ALA 28 -1.103 8.098 0.761 231 HA ALA 28 HA ALA 28 -0.896 8.719 3.580 232 1HB ALA 28 1HB ALA 28 -2.952 7.760 2.654 233 2HB ALA 28 2HB ALA 28 -2.248 6.726 3.899 234 3HB ALA 28 3HB ALA 28 -2.063 6.307 2.196 235 H CYS 29 H CYS 29 1.452 7.917 1.737 236 HA CYS 29 HA CYS 29 2.414 5.571 3.217 237 1HB CYS 29 2HB CYS 29 2.515 5.394 0.777 238 2HB CYS 29 1HB CYS 29 3.472 6.868 0.692 239 HG CYS 29 HG CYS 29 5.707 5.614 0.698 240 HA PRO 30 HA PRO 30 5.016 8.718 5.233 241 1HB PRO 30 2HB PRO 30 4.804 7.817 7.722 242 2HB PRO 30 1HB PRO 30 3.448 8.660 6.958 243 1HG PRO 30 2HG PRO 30 3.870 5.721 7.356 244 2HG PRO 30 1HG PRO 30 2.394 6.677 7.576 245 1HD PRO 30 2HD PRO 30 2.987 5.187 5.312 246 2HD PRO 30 1HD PRO 30 1.848 6.543 5.368 247 H TYR 31 H TYR 31 5.395 5.482 4.511 248 HA TYR 31 HA TYR 31 7.481 4.818 6.363 249 1HB TYR 31 2HB TYR 31 6.415 3.390 3.931 250 2HB TYR 31 1HB TYR 31 7.685 2.740 4.962 251 HD1 TYR 31 HD1 TYR 31 7.186 2.084 7.286 252 HD2 TYR 31 HD2 TYR 31 4.110 3.386 4.646 253 HE1 TYR 31 HE1 TYR 31 5.495 1.128 8.792 254 HE2 TYR 31 HE2 TYR 31 2.413 2.431 6.148 255 HH TYR 31 HH TYR 31 3.098 1.445 9.305 256 H GLN 32 H GLN 32 7.523 5.062 2.791 257 HA GLN 32 HA GLN 32 10.006 6.446 2.741 258 1HB GLN 32 2HB GLN 32 10.585 3.992 3.399 259 2HB GLN 32 1HB GLN 32 10.188 3.609 1.734 260 1HG GLN 32 2HG GLN 32 12.034 4.658 0.893 261 2HG GLN 32 1HG GLN 32 12.138 5.793 2.244 262 1HE2 GLN 32 1HE2 GLN 32 13.059 2.689 1.036 263 2HE2 GLN 32 2HE2 GLN 32 14.118 2.273 2.333 264 H GLN 33 H GLN 33 10.879 6.075 0.227 265 HA GLN 33 HA GLN 33 8.456 6.440 -1.350 266 1HB GLN 33 2HB GLN 33 11.283 7.352 -1.764 267 2HB GLN 33 1HB GLN 33 10.064 7.451 -3.021 268 1HG GLN 33 2HG GLN 33 9.920 8.778 -0.327 269 2HG GLN 33 1HG GLN 33 10.323 9.570 -1.850 270 1HE2 GLN 33 1HE2 GLN 33 8.111 10.001 0.069 271 2HE2 GLN 33 2HE2 GLN 33 6.666 9.875 -0.875 272 H VAL 34 H VAL 34 11.700 5.336 -2.249 273 HA VAL 34 HA VAL 34 10.762 3.935 -4.495 274 HB VAL 34 HB VAL 34 13.358 3.686 -2.973 275 1HG1 VAL 34 1HG1 VAL 34 12.679 2.627 -5.710 276 2HG1 VAL 34 2HG1 VAL 34 12.933 1.658 -4.258 277 3HG1 VAL 34 3HG1 VAL 34 14.268 2.588 -4.940 278 1HG2 VAL 34 1HG2 VAL 34 12.954 5.890 -3.926 279 2HG2 VAL 34 2HG2 VAL 34 12.652 5.163 -5.504 280 3HG2 VAL 34 3HG2 VAL 34 14.258 5.065 -4.781 281 H ASP 35 H ASP 35 12.023 2.668 -1.439 282 HA ASP 35 HA ASP 35 11.537 -0.048 -2.154 283 1HB ASP 35 2HB ASP 35 12.014 1.127 0.598 284 2HB ASP 35 1HB ASP 35 12.180 -0.567 0.150 285 H ALA 36 H ALA 36 9.810 2.415 -0.425 286 HA ALA 36 HA ALA 36 7.795 0.719 0.654 287 1HB ALA 36 1HB ALA 36 8.255 2.852 1.680 288 2HB ALA 36 2HB ALA 36 6.589 2.818 1.100 289 3HB ALA 36 3HB ALA 36 7.824 3.692 0.188 290 H ARG 37 H ARG 37 8.234 2.392 -2.414 291 HA ARG 37 HA ARG 37 5.570 2.111 -3.283 292 1HB ARG 37 2HB ARG 37 8.166 2.335 -4.780 293 2HB ARG 37 1HB ARG 37 6.639 2.105 -5.623 294 1HG ARG 37 2HG ARG 37 5.764 4.145 -4.611 295 2HG ARG 37 1HG ARG 37 7.293 4.375 -3.762 296 1HD ARG 37 2HD ARG 37 8.450 4.534 -5.917 297 2HD ARG 37 1HD ARG 37 6.907 4.337 -6.749 298 HE ARG 37 HE ARG 37 6.449 6.462 -5.147 299 1HH1 ARG 37 1HH1 ARG 37 8.978 5.691 -7.442 300 2HH1 ARG 37 2HH1 ARG 37 9.309 7.354 -7.838 301 1HH2 ARG 37 1HH2 ARG 37 6.862 8.647 -5.653 302 2HH2 ARG 37 2HH2 ARG 37 8.110 9.042 -6.801 303 H SER 38 H SER 38 8.391 -0.021 -3.552 304 HA SER 38 HA SER 38 7.121 -1.985 -5.128 305 1HB SER 38 2HB SER 38 9.491 -2.229 -3.258 306 2HB SER 38 1HB SER 38 9.015 -3.435 -4.457 307 HG SER 38 HG SER 38 9.191 -1.596 -6.004 308 H TYR 39 H TYR 39 7.255 -1.439 -1.671 309 HA TYR 39 HA TYR 39 5.893 -3.950 -1.181 310 1HB TYR 39 2HB TYR 39 7.242 -1.956 0.587 311 2HB TYR 39 1HB TYR 39 6.067 -3.070 1.278 312 HD1 TYR 39 HD1 TYR 39 9.377 -2.777 -0.283 313 HD2 TYR 39 HD2 TYR 39 6.537 -5.436 1.436 314 HE1 TYR 39 HE1 TYR 39 11.109 -4.514 -0.114 315 HE2 TYR 39 HE2 TYR 39 8.260 -7.178 1.607 316 HH TYR 39 HH TYR 39 10.386 -7.772 0.579 317 H TRP 40 H TRP 40 5.409 -0.617 -0.101 318 HA TRP 40 HA TRP 40 2.782 -1.008 0.846 319 1HB TRP 40 2HB TRP 40 4.392 0.758 1.587 320 2HB TRP 40 1HB TRP 40 4.140 1.575 0.060 321 HD1 TRP 40 HD1 TRP 40 2.517 0.968 3.438 322 HE1 TRP 40 HE1 TRP 40 0.539 2.589 3.711 323 HE3 TRP 40 HE3 TRP 40 2.331 2.847 -1.325 324 HZ2 TRP 40 HZ2 TRP 40 -0.894 4.418 2.135 325 HZ3 TRP 40 HZ3 TRP 40 0.618 4.535 -1.854 326 HH2 TRP 40 HH2 TRP 40 -0.963 5.301 -0.159 327 H LEU 41 H LEU 41 4.040 0.460 -2.167 328 HA LEU 41 HA LEU 41 1.397 1.310 -2.943 329 1HB LEU 41 2HB LEU 41 3.857 2.225 -3.522 330 2HB LEU 41 1HB LEU 41 3.596 1.227 -4.935 331 HG LEU 41 HG LEU 41 1.727 3.432 -4.062 332 1HD1 LEU 41 1HD1 LEU 41 3.897 3.474 -6.150 333 2HD1 LEU 41 2HD1 LEU 41 3.920 4.332 -4.611 334 3HD1 LEU 41 3HD1 LEU 41 2.732 4.761 -5.842 335 1HD2 LEU 41 1HD2 LEU 41 0.862 3.258 -6.339 336 2HD2 LEU 41 2HD2 LEU 41 0.682 1.735 -5.467 337 3HD2 LEU 41 3HD2 LEU 41 1.967 1.923 -6.661 338 H GLY 42 H GLY 42 3.563 -1.349 -3.674 339 1HA GLY 42 2HA GLY 42 2.154 -2.526 -5.794 340 2HA GLY 42 1HA GLY 42 3.135 -3.401 -4.622 341 H GLY 43 H GLY 43 1.808 -2.993 -2.281 342 1HA GLY 43 2HA GLY 43 -0.454 -4.712 -2.489 343 2HA GLY 43 1HA GLY 43 0.059 -3.847 -1.047 344 H TRP 44 H TRP 44 -0.042 -1.243 -2.183 345 HA TRP 44 HA TRP 44 -2.690 -0.492 -1.722 346 1HB TRP 44 2HB TRP 44 -0.767 1.039 -1.544 347 2HB TRP 44 1HB TRP 44 -0.552 0.975 -3.289 348 HD1 TRP 44 HD1 TRP 44 -2.898 2.412 -0.616 349 HE1 TRP 44 HE1 TRP 44 -4.258 4.330 -1.663 350 HE3 TRP 44 HE3 TRP 44 -1.433 1.885 -5.481 351 HZ2 TRP 44 HZ2 TRP 44 -4.648 5.473 -4.214 352 HZ3 TRP 44 HZ3 TRP 44 -2.340 3.430 -7.160 353 HH2 TRP 44 HH2 TRP 44 -3.916 5.187 -6.542 354 H ARG 45 H ARG 45 -0.963 -1.083 -4.767 355 HA ARG 45 HA ARG 45 -3.132 -0.315 -6.435 356 1HB ARG 45 2HB ARG 45 -0.756 -2.074 -7.059 357 2HB ARG 45 1HB ARG 45 -1.882 -1.442 -8.253 358 1HG ARG 45 2HG ARG 45 -1.250 0.849 -7.571 359 2HG ARG 45 1HG ARG 45 -0.039 0.158 -6.493 360 1HD ARG 45 2HD ARG 45 1.139 0.724 -8.440 361 2HD ARG 45 1HD ARG 45 0.884 -1.015 -8.560 362 HE ARG 45 HE ARG 45 -1.024 0.763 -9.890 363 1HH1 ARG 45 1HH1 ARG 45 1.642 -1.500 -10.139 364 2HH1 ARG 45 2HH1 ARG 45 1.406 -1.779 -11.839 365 1HH2 ARG 45 1HH2 ARG 45 -1.326 0.399 -12.120 366 2HH2 ARG 45 2HH2 ARG 45 -0.244 -0.665 -12.979 367 H ASP 46 H ASP 46 -2.161 -3.386 -4.993 368 HA ASP 46 HA ASP 46 -4.075 -4.969 -6.393 369 1HB ASP 46 2HB ASP 46 -2.106 -5.885 -5.100 370 2HB ASP 46 1HB ASP 46 -2.983 -5.506 -3.623 371 H ALA 47 H ALA 47 -4.083 -3.315 -3.273 372 HA ALA 47 HA ALA 47 -6.690 -3.945 -2.471 373 1HB ALA 47 1HB ALA 47 -6.519 -1.991 -1.020 374 2HB ALA 47 2HB ALA 47 -5.116 -1.430 -1.932 375 3HB ALA 47 3HB ALA 47 -5.023 -2.924 -0.999 376 H ARG 48 H ARG 48 -5.444 -1.241 -4.417 377 HA ARG 48 HA ARG 48 -7.842 0.065 -4.960 378 1HB ARG 48 2HB ARG 48 -5.388 -0.356 -6.661 379 2HB ARG 48 1HB ARG 48 -6.741 0.619 -7.201 380 1HG ARG 48 2HG ARG 48 -5.275 1.165 -4.641 381 2HG ARG 48 1HG ARG 48 -4.786 1.848 -6.191 382 1HD ARG 48 2HD ARG 48 -6.122 3.502 -5.189 383 2HD ARG 48 1HD ARG 48 -7.163 2.729 -6.380 384 HE ARG 48 HE ARG 48 -7.308 1.825 -3.603 385 1HH1 ARG 48 1HH1 ARG 48 -8.746 3.554 -6.287 386 2HH1 ARG 48 2HH1 ARG 48 -10.319 3.621 -5.556 387 1HH2 ARG 48 1HH2 ARG 48 -9.375 1.957 -2.632 388 2HH2 ARG 48 2HH2 ARG 48 -10.677 2.732 -3.493 389 H ASP 49 H ASP 49 -6.328 -2.661 -6.612 390 HA ASP 49 HA ASP 49 -8.224 -3.012 -8.645 391 1HB ASP 49 2HB ASP 49 -5.998 -4.000 -8.712 392 2HB ASP 49 1HB ASP 49 -6.378 -5.012 -7.325 393 H GLU 50 H GLU 50 -8.353 -3.803 -5.321 394 HA GLU 50 HA GLU 50 -10.318 -5.907 -5.550 395 1HB GLU 50 2HB GLU 50 -8.819 -6.148 -3.728 396 2HB GLU 50 1HB GLU 50 -9.017 -4.474 -3.239 397 1HG GLU 50 2HG GLU 50 -10.095 -5.965 -1.676 398 2HG GLU 50 1HG GLU 50 -11.285 -4.954 -2.487 399 H LYS 51 H LYS 51 -10.177 -2.485 -4.853 400 HA LYS 51 HA LYS 51 -13.054 -2.396 -4.334 401 1HB LYS 51 2HB LYS 51 -10.943 -0.224 -4.301 402 2HB LYS 51 1HB LYS 51 -12.648 0.043 -3.959 403 1HG LYS 51 2HG LYS 51 -12.468 -1.545 -2.070 404 2HG LYS 51 1HG LYS 51 -10.737 -1.662 -2.385 405 1HD LYS 51 2HD LYS 51 -11.197 -0.074 -0.583 406 2HD LYS 51 1HD LYS 51 -10.484 0.731 -1.983 407 1HE LYS 51 2HE LYS 51 -12.289 2.080 -1.109 408 2HE LYS 51 1HE LYS 51 -12.742 1.441 -2.686 409 1HZ LYS 51 1HZ LYS 51 -13.629 0.404 -0.047 410 2HZ LYS 51 2HZ LYS 51 -14.017 -0.298 -1.543 411 3HZ LYS 51 3HZ LYS 51 -14.572 1.258 -1.169 412 H GLN 52 H GLN 52 -10.847 -2.324 -6.789 413 HA GLN 52 HA GLN 52 -12.340 -0.569 -8.562 414 1HB GLN 52 2HB GLN 52 -9.828 -0.835 -8.546 415 2HB GLN 52 1HB GLN 52 -10.069 -2.423 -9.253 416 1HG GLN 52 2HG GLN 52 -9.524 -0.849 -10.983 417 2HG GLN 52 1HG GLN 52 -11.191 -1.385 -11.177 418 1HE2 GLN 52 1HE2 GLN 52 -9.845 1.027 -12.145 419 2HE2 GLN 52 2HE2 GLN 52 -10.761 2.361 -11.527 420 H SER 53 H SER 53 -11.873 -4.006 -8.025 421 HA SER 53 HA SER 53 -13.308 -4.907 -10.293 422 1HB SER 53 2HB SER 53 -12.823 -6.265 -7.630 423 2HB SER 53 1HB SER 53 -13.434 -7.065 -9.079 424 HG SER 53 HG SER 53 -10.890 -5.867 -8.675 425 H GLY 54 H GLY 54 -14.277 -3.668 -7.209 426 1HA GLY 54 2HA GLY 54 -17.023 -4.559 -7.500 427 2HA GLY 54 1HA GLY 54 -16.382 -3.541 -6.217 428 H LEU 55 H LEU 55 -15.083 -1.993 -8.530 429 HA LEU 55 HA LEU 55 -15.415 -0.158 -9.789 430 1HB LEU 55 2HB LEU 55 -18.241 -1.188 -9.992 431 2HB LEU 55 1HB LEU 55 -17.614 0.171 -10.904 432 HG LEU 55 HG LEU 55 -16.593 -2.663 -11.106 433 1HD1 LEU 55 1HD1 LEU 55 -18.300 -1.053 -12.996 434 2HD1 LEU 55 2HD1 LEU 55 -18.850 -2.408 -12.011 435 3HD1 LEU 55 3HD1 LEU 55 -17.666 -2.672 -13.292 436 1HD2 LEU 55 1HD2 LEU 55 -15.940 -0.197 -12.714 437 2HD2 LEU 55 2HD2 LEU 55 -15.354 -1.828 -13.039 438 3HD2 LEU 55 3HD2 LEU 55 -14.869 -0.994 -11.563 439 H TYR 56 H TYR 56 -18.277 -0.596 -7.777 440 HA TYR 56 HA TYR 56 -17.905 1.957 -6.487 441 1HB TYR 56 2HB TYR 56 -18.939 2.706 -8.555 442 2HB TYR 56 1HB TYR 56 -20.208 1.498 -8.401 443 HD1 TYR 56 HD1 TYR 56 -18.869 4.627 -6.951 444 HD2 TYR 56 HD2 TYR 56 -22.146 1.921 -7.104 445 HE1 TYR 56 HE1 TYR 56 -20.266 6.258 -5.751 446 HE2 TYR 56 HE2 TYR 56 -23.550 3.540 -5.899 447 HH TYR 56 HH TYR 56 -22.822 6.726 -5.579 448 H LYS 57 H LYS 57 -20.496 -0.354 -7.258 449 HA LYS 57 HA LYS 57 -20.629 -1.284 -4.551 450 1HB LYS 57 2HB LYS 57 -21.906 0.842 -4.406 451 2HB LYS 57 1HB LYS 57 -22.996 0.251 -5.653 452 1HG LYS 57 2HG LYS 57 -23.609 -1.628 -4.150 453 2HG LYS 57 1HG LYS 57 -22.611 -0.894 -2.896 454 1HD LYS 57 2HD LYS 57 -23.997 1.078 -2.875 455 2HD LYS 57 1HD LYS 57 -24.931 0.475 -4.245 456 1HE LYS 57 2HE LYS 57 -26.186 0.109 -2.230 457 2HE LYS 57 1HE LYS 57 -25.646 -1.448 -2.856 458 1HZ LYS 57 1HZ LYS 57 -24.466 0.063 -0.587 459 2HZ LYS 57 2HZ LYS 57 -23.797 -1.350 -1.236 460 3HZ LYS 57 3HZ LYS 57 -25.323 -1.397 -0.505 461 H LEU 58 H LEU 58 -20.052 -3.038 -6.099 462 HA LEU 58 HA LEU 58 -22.414 -4.282 -7.283 463 1HB LEU 58 2HB LEU 58 -19.466 -4.911 -7.454 464 2HB LEU 58 1HB LEU 58 -20.706 -5.951 -8.117 465 HG LEU 58 HG LEU 58 -20.158 -3.111 -8.974 466 1HD1 LEU 58 1HD1 LEU 58 -18.421 -4.657 -9.679 467 2HD1 LEU 58 2HD1 LEU 58 -19.399 -4.147 -11.056 468 3HD1 LEU 58 3HD1 LEU 58 -19.640 -5.743 -10.345 469 1HD2 LEU 58 1HD2 LEU 58 -21.774 -3.579 -10.763 470 2HD2 LEU 58 2HD2 LEU 58 -22.521 -3.669 -9.167 471 3HD2 LEU 58 3HD2 LEU 58 -22.113 -5.150 -10.034 472 H GLU 59 H GLU 59 -21.676 -6.950 -7.000 473 HA GLU 59 HA GLU 59 -22.447 -7.536 -4.335 474 1HB GLU 59 2HB GLU 59 -22.947 -9.031 -6.228 475 2HB GLU 59 1HB GLU 59 -21.230 -9.354 -6.427 476 1HG GLU 59 2HG GLU 59 -21.206 -10.268 -4.116 477 2HG GLU 59 1HG GLU 59 -22.958 -10.086 -4.084 478 H HIS 60 H HIS 60 -21.232 -7.813 -2.538 479 HA HIS 60 HA HIS 60 -18.348 -7.612 -2.756 480 1HB HIS 60 2HB HIS 60 -19.754 -6.510 -0.916 481 2HB HIS 60 1HB HIS 60 -19.901 -8.121 -0.215 482 HD1 HIS 60 HD1 HIS 60 -18.243 -8.502 1.569 483 HD2 HIS 60 HD2 HIS 60 -16.777 -5.969 -1.383 484 HE1 HIS 60 HE1 HIS 60 -15.904 -7.908 2.282 485 HE2 HIS 60 HE2 HIS 60 -14.966 -6.581 0.352 Start of MODEL 5 1 1H MET 1 1H MET 1 22.842 -4.337 15.018 2 2H MET 1 2H MET 1 23.784 -3.630 16.234 3 3H MET 1 3H MET 1 23.731 -2.933 14.686 4 HA MET 1 HA MET 1 21.451 -3.149 16.567 5 1HB MET 1 2HB MET 1 23.120 -0.775 15.711 6 2HB MET 1 1HB MET 1 21.604 -0.649 16.588 7 1HG MET 1 2HG MET 1 22.601 -1.906 18.448 8 2HG MET 1 1HG MET 1 24.131 -1.955 17.570 9 1HE MET 1 1HE MET 1 25.343 -0.883 19.679 10 2HE MET 1 2HE MET 1 23.816 -0.785 20.558 11 3HE MET 1 3HE MET 1 24.853 0.637 20.428 12 H LYS 2 H LYS 2 19.485 -2.584 15.769 13 HA LYS 2 HA LYS 2 17.856 -1.775 14.412 14 1HB LYS 2 2HB LYS 2 19.478 0.219 14.681 15 2HB LYS 2 1HB LYS 2 19.952 -0.124 13.025 16 1HG LYS 2 2HG LYS 2 17.830 0.420 12.190 17 2HG LYS 2 1HG LYS 2 17.092 0.370 13.795 18 1HD LYS 2 2HD LYS 2 18.490 2.301 14.454 19 2HD LYS 2 1HD LYS 2 19.122 2.373 12.809 20 1HE LYS 2 2HE LYS 2 16.975 2.904 11.930 21 2HE LYS 2 1HE LYS 2 16.200 2.581 13.480 22 1HZ LYS 2 1HZ LYS 2 17.280 4.476 14.432 23 2HZ LYS 2 2HZ LYS 2 16.502 4.971 13.008 24 3HZ LYS 2 3HZ LYS 2 18.179 4.747 13.021 25 H ARG 3 H ARG 3 18.037 -4.049 13.554 26 HA ARG 3 HA ARG 3 19.005 -4.139 10.778 27 1HB ARG 3 2HB ARG 3 18.349 -6.296 12.777 28 2HB ARG 3 1HB ARG 3 18.609 -6.641 11.074 29 1HG ARG 3 2HG ARG 3 20.865 -5.756 11.216 30 2HG ARG 3 1HG ARG 3 20.606 -5.345 12.914 31 1HD ARG 3 2HD ARG 3 20.406 -7.642 13.519 32 2HD ARG 3 1HD ARG 3 20.368 -8.145 11.829 33 HE ARG 3 HE ARG 3 22.743 -7.086 11.848 34 1HH1 ARG 3 1HH1 ARG 3 21.283 -8.902 14.459 35 2HH1 ARG 3 2HH1 ARG 3 22.794 -9.554 15.024 36 1HH2 ARG 3 1HH2 ARG 3 24.724 -7.927 12.574 37 2HH2 ARG 3 2HH2 ARG 3 24.763 -8.985 13.956 38 H GLN 4 H GLN 4 16.451 -2.904 11.739 39 HA GLN 4 HA GLN 4 14.435 -4.674 10.600 40 1HB GLN 4 2HB GLN 4 14.235 -2.026 12.026 41 2HB GLN 4 1HB GLN 4 12.852 -2.852 11.323 42 1HG GLN 4 2HG GLN 4 13.119 -4.707 12.808 43 2HG GLN 4 1HG GLN 4 14.637 -4.055 13.423 44 1HE2 GLN 4 1HE2 GLN 4 14.604 -2.345 14.839 45 2HE2 GLN 4 2HE2 GLN 4 13.162 -1.796 15.623 46 H LYS 5 H LYS 5 15.097 -4.596 8.427 47 HA LYS 5 HA LYS 5 14.525 -2.047 7.065 48 1HB LYS 5 2HB LYS 5 15.988 -4.509 6.091 49 2HB LYS 5 1HB LYS 5 15.617 -3.117 5.088 50 1HG LYS 5 2HG LYS 5 17.008 -1.707 6.535 51 2HG LYS 5 1HG LYS 5 17.389 -3.118 7.525 52 1HD LYS 5 2HD LYS 5 19.185 -2.671 5.932 53 2HD LYS 5 1HD LYS 5 18.398 -4.210 5.576 54 1HE LYS 5 2HE LYS 5 16.987 -2.973 3.898 55 2HE LYS 5 1HE LYS 5 18.042 -1.584 4.150 56 1HZ LYS 5 1HZ LYS 5 19.904 -2.842 3.366 57 2HZ LYS 5 2HZ LYS 5 18.660 -2.960 2.220 58 3HZ LYS 5 3HZ LYS 5 18.971 -4.259 3.262 59 H ARG 6 H ARG 6 14.114 -5.526 6.645 60 HA ARG 6 HA ARG 6 12.016 -5.246 4.719 61 1HB ARG 6 2HB ARG 6 13.629 -7.116 4.727 62 2HB ARG 6 1HB ARG 6 12.982 -7.660 6.265 63 1HG ARG 6 2HG ARG 6 10.832 -8.116 5.204 64 2HG ARG 6 1HG ARG 6 11.479 -7.561 3.658 65 1HD ARG 6 2HD ARG 6 13.152 -9.318 3.702 66 2HD ARG 6 1HD ARG 6 12.581 -9.848 5.282 67 HE ARG 6 HE ARG 6 10.549 -9.875 3.244 68 1HH1 ARG 6 1HH1 ARG 6 13.139 -11.662 4.771 69 2HH1 ARG 6 2HH1 ARG 6 12.529 -13.221 4.282 70 1HH2 ARG 6 1HH2 ARG 6 9.733 -11.909 2.602 71 2HH2 ARG 6 2HH2 ARG 6 10.583 -13.352 3.048 72 H ASP 7 H ASP 7 12.263 -5.684 8.146 73 HA ASP 7 HA ASP 7 9.787 -6.629 8.884 74 1HB ASP 7 2HB ASP 7 11.407 -4.465 10.254 75 2HB ASP 7 1HB ASP 7 10.100 -5.377 10.998 76 H ARG 8 H ARG 8 10.691 -3.200 8.651 77 HA ARG 8 HA ARG 8 8.041 -2.269 9.046 78 1HB ARG 8 2HB ARG 8 8.952 -0.055 8.470 79 2HB ARG 8 1HB ARG 8 9.944 -0.892 9.657 80 1HG ARG 8 2HG ARG 8 11.548 -1.481 7.947 81 2HG ARG 8 1HG ARG 8 10.533 -0.739 6.709 82 1HD ARG 8 2HD ARG 8 12.377 0.724 7.377 83 2HD ARG 8 1HD ARG 8 10.806 1.431 7.750 84 HE ARG 8 HE ARG 8 11.283 0.481 10.091 85 1HH1 ARG 8 1HH1 ARG 8 13.705 1.709 7.894 86 2HH1 ARG 8 2HH1 ARG 8 14.795 2.200 9.154 87 1HH2 ARG 8 1HH2 ARG 8 12.689 1.165 11.769 88 2HH2 ARG 8 2HH2 ARG 8 14.192 1.933 11.352 89 H LEU 9 H LEU 9 9.843 -3.173 6.201 90 HA LEU 9 HA LEU 9 8.171 -1.727 4.389 91 1HB LEU 9 2HB LEU 9 10.339 -3.747 4.099 92 2HB LEU 9 1HB LEU 9 9.293 -3.422 2.729 93 HG LEU 9 HG LEU 9 10.882 -1.303 4.186 94 1HD1 LEU 9 1HD1 LEU 9 12.388 -2.846 3.062 95 2HD1 LEU 9 2HD1 LEU 9 12.326 -1.311 2.197 96 3HD1 LEU 9 3HD1 LEU 9 11.446 -2.707 1.575 97 1HD2 LEU 9 1HD2 LEU 9 8.872 -0.459 3.116 98 2HD2 LEU 9 2HD2 LEU 9 9.335 -1.237 1.603 99 3HD2 LEU 9 3HD2 LEU 9 10.310 0.080 2.255 100 H GLU 10 H GLU 10 8.264 -5.103 5.523 101 HA GLU 10 HA GLU 10 6.070 -5.944 3.924 102 1HB GLU 10 2HB GLU 10 7.573 -7.539 5.055 103 2HB GLU 10 1HB GLU 10 6.973 -6.994 6.615 104 1HG GLU 10 2HG GLU 10 4.723 -7.770 5.994 105 2HG GLU 10 1HG GLU 10 5.375 -8.376 4.473 106 H ARG 11 H ARG 11 6.382 -4.234 6.911 107 HA ARG 11 HA ARG 11 3.663 -4.408 7.748 108 1HB ARG 11 2HB ARG 11 5.778 -3.757 9.104 109 2HB ARG 11 1HB ARG 11 5.541 -2.155 8.423 110 1HG ARG 11 2HG ARG 11 4.571 -2.286 10.632 111 2HG ARG 11 1HG ARG 11 3.308 -2.065 9.420 112 1HD ARG 11 2HD ARG 11 2.517 -4.214 9.651 113 2HD ARG 11 1HD ARG 11 4.051 -4.823 10.278 114 HE ARG 11 HE ARG 11 3.075 -3.004 12.134 115 1HH1 ARG 11 1HH1 ARG 11 2.010 -6.022 10.728 116 2HH1 ARG 11 2HH1 ARG 11 1.284 -6.602 12.199 117 1HH2 ARG 11 1HH2 ARG 11 2.136 -3.733 14.068 118 2HH2 ARG 11 2HH2 ARG 11 1.366 -5.300 14.117 119 H ALA 12 H ALA 12 5.606 -2.118 5.909 120 HA ALA 12 HA ALA 12 3.595 -0.253 5.306 121 1HB ALA 12 1HB ALA 12 6.021 0.123 4.951 122 2HB ALA 12 2HB ALA 12 5.045 0.503 3.532 123 3HB ALA 12 3HB ALA 12 5.964 -1.004 3.591 124 H GLN 13 H GLN 13 4.428 -3.370 3.947 125 HA GLN 13 HA GLN 13 2.899 -3.179 1.577 126 1HB GLN 13 2HB GLN 13 4.544 -4.954 1.901 127 2HB GLN 13 1HB GLN 13 3.606 -5.612 3.235 128 1HG GLN 13 2HG GLN 13 1.784 -6.132 1.700 129 2HG GLN 13 1HG GLN 13 2.721 -5.470 0.361 130 1HE2 GLN 13 1HE2 GLN 13 2.406 -8.073 2.639 131 2HE2 GLN 13 2HE2 GLN 13 3.470 -9.173 1.829 132 H SER 14 H SER 14 2.101 -4.548 4.768 133 HA SER 14 HA SER 14 -0.612 -5.065 4.176 134 1HB SER 14 2HB SER 14 0.568 -4.459 6.898 135 2HB SER 14 1HB SER 14 -0.884 -5.396 6.550 136 HG SER 14 HG SER 14 0.843 -6.675 5.213 137 H GLN 15 H GLN 15 1.077 -2.268 5.488 138 HA GLN 15 HA GLN 15 -1.193 -0.741 6.186 139 1HB GLN 15 2HB GLN 15 1.085 -0.230 6.984 140 2HB GLN 15 1HB GLN 15 1.554 0.215 5.351 141 1HG GLN 15 2HG GLN 15 1.126 2.190 6.656 142 2HG GLN 15 1HG GLN 15 -0.085 2.035 5.384 143 1HE2 GLN 15 1HE2 GLN 15 -1.567 3.312 6.447 144 2HE2 GLN 15 2HE2 GLN 15 -2.416 2.771 7.861 145 H GLY 16 H GLY 16 0.730 -0.918 3.216 146 1HA GLY 16 2HA GLY 16 -0.597 1.153 1.832 147 2HA GLY 16 1HA GLY 16 0.343 -0.138 1.098 148 H TYR 17 H TYR 17 -1.195 -2.315 2.041 149 HA TYR 17 HA TYR 17 -3.246 -2.405 0.107 150 1HB TYR 17 2HB TYR 17 -1.969 -4.349 1.249 151 2HB TYR 17 1HB TYR 17 -3.169 -4.197 2.527 152 HD1 TYR 17 HD2 TYR 17 -2.774 -4.812 -1.113 153 HD2 TYR 17 HD1 TYR 17 -5.291 -5.182 2.299 154 HE1 TYR 17 HE2 TYR 17 -4.314 -6.228 -2.410 155 HE2 TYR 17 HE1 TYR 17 -6.833 -6.599 1.012 156 HH TYR 17 HH TYR 17 -6.028 -7.812 -2.144 157 H LYS 18 H LYS 18 -3.246 -1.852 3.593 158 HA LYS 18 HA LYS 18 -6.049 -1.489 3.877 159 1HB LYS 18 2HB LYS 18 -4.541 -1.977 5.760 160 2HB LYS 18 1HB LYS 18 -3.757 -0.425 5.545 161 1HG LYS 18 2HG LYS 18 -5.877 0.684 6.111 162 2HG LYS 18 1HG LYS 18 -6.610 -0.901 6.382 163 1HD LYS 18 2HD LYS 18 -4.860 -1.352 8.088 164 2HD LYS 18 1HD LYS 18 -4.270 0.294 7.868 165 1HE LYS 18 2HE LYS 18 -6.432 1.171 8.596 166 2HE LYS 18 1HE LYS 18 -7.033 -0.475 8.801 167 1HZ LYS 18 1HZ LYS 18 -5.225 -0.826 10.434 168 2HZ LYS 18 2HZ LYS 18 -6.346 0.344 10.918 169 3HZ LYS 18 3HZ LYS 18 -4.833 0.822 10.318 170 H ALA 19 H ALA 19 -3.426 0.554 2.887 171 HA ALA 19 HA ALA 19 -4.804 3.043 3.262 172 1HB ALA 19 1HB ALA 19 -2.304 2.433 1.682 173 2HB ALA 19 2HB ALA 19 -2.363 2.924 3.376 174 3HB ALA 19 3HB ALA 19 -2.889 4.038 2.114 175 H GLY 20 H GLY 20 -4.557 0.667 0.764 176 1HA GLY 20 2HA GLY 20 -5.518 2.267 -1.380 177 2HA GLY 20 1HA GLY 20 -5.594 0.521 -1.271 178 H LEU 21 H LEU 21 -7.018 0.774 1.332 179 HA LEU 21 HA LEU 21 -9.700 1.208 0.236 180 1HB LEU 21 2HB LEU 21 -9.519 0.278 3.001 181 2HB LEU 21 1HB LEU 21 -10.432 -0.383 1.661 182 HG LEU 21 HG LEU 21 -7.494 -0.897 2.141 183 1HD1 LEU 21 1HD1 LEU 21 -9.885 -2.636 2.723 184 2HD1 LEU 21 2HD1 LEU 21 -8.854 -1.852 3.921 185 3HD1 LEU 21 3HD1 LEU 21 -8.193 -3.114 2.880 186 1HD2 LEU 21 1HD2 LEU 21 -7.792 -2.686 0.510 187 2HD2 LEU 21 2HD2 LEU 21 -8.146 -1.107 -0.191 188 3HD2 LEU 21 3HD2 LEU 21 -9.466 -2.188 0.263 189 H ASN 22 H ASN 22 -7.622 2.067 2.937 190 HA ASN 22 HA ASN 22 -9.607 3.944 3.959 191 1HB ASN 22 2HB ASN 22 -7.166 2.632 5.133 192 2HB ASN 22 1HB ASN 22 -8.000 3.964 5.928 193 1HD2 ASN 22 1HD2 ASN 22 -8.127 0.638 5.005 194 2HD2 ASN 22 2HD2 ASN 22 -9.517 0.205 5.943 195 H GLY 23 H GLY 23 -6.307 3.851 2.716 196 1HA GLY 23 2HA GLY 23 -5.677 6.468 3.787 197 2HA GLY 23 1HA GLY 23 -4.653 5.492 2.743 198 H ARG 24 H ARG 24 -7.022 5.179 0.953 199 HA ARG 24 HA ARG 24 -7.885 6.067 -0.935 200 1HB ARG 24 2HB ARG 24 -8.993 7.658 0.443 201 2HB ARG 24 1HB ARG 24 -7.536 8.626 0.603 202 1HG ARG 24 2HG ARG 24 -7.664 9.325 -1.675 203 2HG ARG 24 1HG ARG 24 -8.974 8.190 -2.003 204 1HD ARG 24 2HD ARG 24 -9.629 10.616 -1.663 205 2HD ARG 24 1HD ARG 24 -10.508 9.419 -0.715 206 HE ARG 24 HE ARG 24 -8.938 10.041 1.144 207 1HH1 ARG 24 1HH1 ARG 24 -9.645 12.284 -1.441 208 2HH1 ARG 24 2HH1 ARG 24 -9.427 13.694 -0.457 209 1HH2 ARG 24 1HH2 ARG 24 -8.672 11.889 2.461 210 2HH2 ARG 24 2HH2 ARG 24 -8.876 13.477 1.767 211 H SER 25 H SER 25 -5.266 8.282 0.019 212 HA SER 25 HA SER 25 -4.396 8.344 -2.793 213 1HB SER 25 2HB SER 25 -3.682 10.244 -0.557 214 2HB SER 25 1HB SER 25 -3.350 10.460 -2.265 215 HG SER 25 HG SER 25 -5.479 11.258 -0.950 216 H GLN 26 H GLN 26 -1.977 8.763 -3.047 217 HA GLN 26 HA GLN 26 -0.465 6.748 -1.622 218 1HB GLN 26 2HB GLN 26 0.649 8.811 -3.516 219 2HB GLN 26 1HB GLN 26 1.298 7.220 -3.143 220 1HG GLN 26 2HG GLN 26 -0.622 6.194 -4.272 221 2HG GLN 26 1HG GLN 26 -1.223 7.803 -4.677 222 1HE2 GLN 26 1HE2 GLN 26 1.513 8.818 -5.093 223 2HE2 GLN 26 2HE2 GLN 26 2.015 8.192 -6.625 224 H GLU 27 H GLU 27 -1.217 9.993 -1.311 225 HA GLU 27 HA GLU 27 0.963 11.170 -0.059 226 1HB GLU 27 2HB GLU 27 -1.141 12.271 -0.844 227 2HB GLU 27 1HB GLU 27 -1.973 11.583 0.539 228 1HG GLU 27 2HG GLU 27 -0.468 12.854 2.025 229 2HG GLU 27 1HG GLU 27 0.254 13.602 0.599 230 H ALA 28 H ALA 28 -0.825 8.538 0.953 231 HA ALA 28 HA ALA 28 -0.611 9.036 3.809 232 1HB ALA 28 1HB ALA 28 -1.775 6.691 2.316 233 2HB ALA 28 2HB ALA 28 -2.677 8.111 2.840 234 3HB ALA 28 3HB ALA 28 -1.954 7.034 4.039 235 H CYS 29 H CYS 29 1.779 8.458 1.965 236 HA CYS 29 HA CYS 29 2.733 6.022 3.325 237 1HB CYS 29 2HB CYS 29 2.787 5.899 0.864 238 2HB CYS 29 1HB CYS 29 3.820 7.324 0.816 239 HG CYS 29 HG CYS 29 5.860 5.752 0.556 240 HA PRO 30 HA PRO 30 5.327 9.215 5.319 241 1HB PRO 30 2HB PRO 30 4.945 8.481 7.838 242 2HB PRO 30 1HB PRO 30 3.655 9.298 6.943 243 1HG PRO 30 2HG PRO 30 3.983 6.383 7.557 244 2HG PRO 30 1HG PRO 30 2.517 7.379 7.615 245 1HD PRO 30 2HD PRO 30 3.245 5.725 5.498 246 2HD PRO 30 1HD PRO 30 2.101 7.075 5.394 247 H TYR 31 H TYR 31 6.006 6.261 4.393 248 HA TYR 31 HA TYR 31 7.940 5.582 6.492 249 1HB TYR 31 2HB TYR 31 6.943 3.882 4.199 250 2HB TYR 31 1HB TYR 31 7.994 3.346 5.506 251 HD1 TYR 31 HD1 TYR 31 7.050 3.570 7.907 252 HD2 TYR 31 HD2 TYR 31 4.640 3.653 4.404 253 HE1 TYR 31 HE1 TYR 31 5.081 2.985 9.255 254 HE2 TYR 31 HE2 TYR 31 2.666 3.070 5.745 255 HH TYR 31 HH TYR 31 2.623 3.265 9.106 256 H GLN 32 H GLN 32 7.883 5.253 2.947 257 HA GLN 32 HA GLN 32 10.489 6.467 2.684 258 1HB GLN 32 2HB GLN 32 11.080 4.182 3.400 259 2HB GLN 32 1HB GLN 32 10.075 3.506 2.130 260 1HG GLN 32 2HG GLN 32 12.457 3.395 1.594 261 2HG GLN 32 1HG GLN 32 11.564 4.380 0.439 262 1HE2 GLN 32 1HE2 GLN 32 13.949 4.350 2.942 263 2HE2 GLN 32 2HE2 GLN 32 14.507 5.973 2.711 264 H GLN 33 H GLN 33 11.136 6.197 0.202 265 HA GLN 33 HA GLN 33 8.668 6.566 -1.308 266 1HB GLN 33 2HB GLN 33 10.318 8.386 -1.380 267 2HB GLN 33 1HB GLN 33 11.484 7.272 -2.081 268 1HG GLN 33 2HG GLN 33 10.458 8.697 -3.772 269 2HG GLN 33 1HG GLN 33 10.095 6.991 -4.032 270 1HE2 GLN 33 1HE2 GLN 33 8.793 10.073 -3.027 271 2HE2 GLN 33 2HE2 GLN 33 7.122 9.625 -3.173 272 H VAL 34 H VAL 34 11.863 5.345 -2.298 273 HA VAL 34 HA VAL 34 10.775 3.865 -4.435 274 HB VAL 34 HB VAL 34 13.453 3.413 -3.119 275 1HG1 VAL 34 1HG1 VAL 34 12.815 1.659 -4.680 276 2HG1 VAL 34 2HG1 VAL 34 14.141 2.624 -5.329 277 3HG1 VAL 34 3HG1 VAL 34 12.498 2.866 -5.926 278 1HG2 VAL 34 1HG2 VAL 34 12.705 5.361 -5.294 279 2HG2 VAL 34 2HG2 VAL 34 14.346 5.014 -4.751 280 3HG2 VAL 34 3HG2 VAL 34 13.194 5.768 -3.649 281 H ASP 35 H ASP 35 12.163 2.763 -1.365 282 HA ASP 35 HA ASP 35 11.685 0.012 -1.787 283 1HB ASP 35 2HB ASP 35 11.866 1.443 0.877 284 2HB ASP 35 1HB ASP 35 12.171 -0.264 0.575 285 H ALA 36 H ALA 36 9.895 2.544 -0.186 286 HA ALA 36 HA ALA 36 7.801 0.896 0.787 287 1HB ALA 36 1HB ALA 36 8.303 2.969 1.869 288 2HB ALA 36 2HB ALA 36 6.666 3.058 1.209 289 3HB ALA 36 3HB ALA 36 8.001 3.871 0.379 290 H ARG 37 H ARG 37 8.356 2.645 -2.212 291 HA ARG 37 HA ARG 37 5.782 2.543 -3.267 292 1HB ARG 37 2HB ARG 37 7.465 3.783 -4.414 293 2HB ARG 37 1HB ARG 37 8.496 2.371 -4.571 294 1HG ARG 37 2HG ARG 37 7.036 1.396 -6.187 295 2HG ARG 37 1HG ARG 37 5.825 2.654 -5.921 296 1HD ARG 37 2HD ARG 37 7.222 4.321 -6.867 297 2HD ARG 37 1HD ARG 37 8.616 3.242 -6.873 298 HE ARG 37 HE ARG 37 7.682 2.067 -8.700 299 1HH1 ARG 37 1HH1 ARG 37 5.846 4.925 -7.820 300 2HH1 ARG 37 2HH1 ARG 37 5.016 5.012 -9.346 301 1HH2 ARG 37 1HH2 ARG 37 6.606 2.189 -10.693 302 2HH2 ARG 37 2HH2 ARG 37 5.410 3.421 -10.960 303 H SER 38 H SER 38 8.380 0.128 -3.359 304 HA SER 38 HA SER 38 7.018 -1.694 -5.023 305 1HB SER 38 2HB SER 38 9.480 -1.696 -4.643 306 2HB SER 38 1HB SER 38 9.199 -2.282 -3.005 307 HG SER 38 HG SER 38 7.875 -3.849 -4.733 308 H TYR 39 H TYR 39 7.253 -1.366 -1.507 309 HA TYR 39 HA TYR 39 5.611 -3.717 -1.166 310 1HB TYR 39 2HB TYR 39 7.052 -1.918 0.754 311 2HB TYR 39 1HB TYR 39 5.886 -3.109 1.324 312 HD1 TYR 39 HD1 TYR 39 9.135 -2.679 -0.393 313 HD2 TYR 39 HD2 TYR 39 6.413 -5.427 1.379 314 HE1 TYR 39 HE1 TYR 39 10.868 -4.423 -0.442 315 HE2 TYR 39 HE2 TYR 39 8.139 -7.173 1.336 316 HH TYR 39 HH TYR 39 11.424 -6.492 0.649 317 H TRP 40 H TRP 40 5.386 -0.358 -0.071 318 HA TRP 40 HA TRP 40 2.737 -0.642 0.920 319 1HB TRP 40 2HB TRP 40 4.436 0.959 1.798 320 2HB TRP 40 1HB TRP 40 4.311 1.872 0.303 321 HD1 TRP 40 HD1 TRP 40 2.578 1.310 3.625 322 HE1 TRP 40 HE1 TRP 40 0.678 3.025 3.882 323 HE3 TRP 40 HE3 TRP 40 2.548 3.243 -1.122 324 HZ2 TRP 40 HZ2 TRP 40 -0.639 4.939 2.308 325 HZ3 TRP 40 HZ3 TRP 40 0.927 5.012 -1.658 326 HH2 TRP 40 HH2 TRP 40 -0.637 5.839 0.024 327 H LEU 41 H LEU 41 4.104 0.909 -2.014 328 HA LEU 41 HA LEU 41 1.534 2.007 -2.710 329 1HB LEU 41 2HB LEU 41 4.010 2.844 -3.202 330 2HB LEU 41 1HB LEU 41 3.791 1.898 -4.657 331 HG LEU 41 HG LEU 41 1.906 4.101 -3.831 332 1HD1 LEU 41 1HD1 LEU 41 4.259 4.214 -5.713 333 2HD1 LEU 41 2HD1 LEU 41 4.127 5.036 -4.159 334 3HD1 LEU 41 3HD1 LEU 41 3.062 5.489 -5.488 335 1HD2 LEU 41 1HD2 LEU 41 0.994 2.454 -5.397 336 2HD2 LEU 41 2HD2 LEU 41 2.363 2.726 -6.475 337 3HD2 LEU 41 3HD2 LEU 41 1.213 4.027 -6.164 338 H GLY 42 H GLY 42 3.525 -0.708 -3.716 339 1HA GLY 42 2HA GLY 42 2.013 -1.602 -5.898 340 2HA GLY 42 1HA GLY 42 2.971 -2.633 -4.841 341 H GLY 43 H GLY 43 1.672 -2.275 -2.434 342 1HA GLY 43 2HA GLY 43 -0.587 -3.982 -2.701 343 2HA GLY 43 1HA GLY 43 -0.069 -3.176 -1.228 344 H TRP 44 H TRP 44 -0.196 -0.522 -2.215 345 HA TRP 44 HA TRP 44 -2.839 0.215 -1.747 346 1HB TRP 44 2HB TRP 44 -0.972 1.773 -1.525 347 2HB TRP 44 1HB TRP 44 -0.662 1.691 -3.255 348 HD1 TRP 44 HD1 TRP 44 -3.199 3.129 -0.743 349 HE1 TRP 44 HE1 TRP 44 -4.467 5.059 -1.888 350 HE3 TRP 44 HE3 TRP 44 -1.332 2.629 -5.475 351 HZ2 TRP 44 HZ2 TRP 44 -4.641 6.218 -4.459 352 HZ3 TRP 44 HZ3 TRP 44 -2.094 4.188 -7.217 353 HH2 TRP 44 HH2 TRP 44 -3.714 5.944 -6.719 354 H ARG 45 H ARG 45 -1.115 -0.146 -4.839 355 HA ARG 45 HA ARG 45 -3.330 0.531 -6.467 356 1HB ARG 45 2HB ARG 45 -0.826 -1.042 -7.089 357 2HB ARG 45 1HB ARG 45 -2.020 -0.596 -8.301 358 1HG ARG 45 2HG ARG 45 -1.638 1.799 -7.643 359 2HG ARG 45 1HG ARG 45 -0.273 1.230 -6.679 360 1HD ARG 45 2HD ARG 45 0.781 0.308 -8.654 361 2HD ARG 45 1HD ARG 45 -0.609 0.760 -9.640 362 HE ARG 45 HE ARG 45 1.397 2.577 -8.517 363 1HH1 ARG 45 1HH1 ARG 45 -1.445 2.073 -10.491 364 2HH1 ARG 45 2HH1 ARG 45 -1.333 3.618 -11.284 365 1HH2 ARG 45 1HH2 ARG 45 1.552 4.621 -9.534 366 2HH2 ARG 45 2HH2 ARG 45 0.375 5.067 -10.733 367 H ASP 46 H ASP 46 -2.179 -2.515 -5.143 368 HA ASP 46 HA ASP 46 -3.889 -4.155 -6.731 369 1HB ASP 46 2HB ASP 46 -1.795 -4.955 -5.605 370 2HB ASP 46 1HB ASP 46 -2.642 -4.841 -4.066 371 H ALA 47 H ALA 47 -4.092 -2.788 -3.482 372 HA ALA 47 HA ALA 47 -6.493 -3.944 -2.647 373 1HB ALA 47 1HB ALA 47 -5.060 -2.687 -1.150 374 2HB ALA 47 2HB ALA 47 -6.685 -2.004 -1.144 375 3HB ALA 47 3HB ALA 47 -5.394 -1.202 -2.038 376 H ARG 48 H ARG 48 -5.902 -1.017 -4.548 377 HA ARG 48 HA ARG 48 -8.506 -0.111 -4.886 378 1HB ARG 48 2HB ARG 48 -6.203 -0.121 -6.846 379 2HB ARG 48 1HB ARG 48 -7.699 0.761 -7.100 380 1HG ARG 48 2HG ARG 48 -6.041 1.233 -4.656 381 2HG ARG 48 1HG ARG 48 -5.652 2.014 -6.189 382 1HD ARG 48 2HD ARG 48 -6.997 3.570 -5.097 383 2HD ARG 48 1HD ARG 48 -8.098 2.763 -6.210 384 HE ARG 48 HE ARG 48 -7.952 1.962 -3.378 385 1HH1 ARG 48 1HH1 ARG 48 -9.793 2.994 -6.176 386 2HH1 ARG 48 2HH1 ARG 48 -11.304 3.024 -5.319 387 1HH2 ARG 48 1HH2 ARG 48 -9.943 1.993 -2.257 388 2HH2 ARG 48 2HH2 ARG 48 -11.400 2.448 -3.101 389 H ASP 49 H ASP 49 -6.685 -2.441 -6.848 390 HA ASP 49 HA ASP 49 -8.818 -2.974 -8.653 391 1HB ASP 49 2HB ASP 49 -6.456 -3.256 -9.263 392 2HB ASP 49 1HB ASP 49 -6.305 -4.560 -8.091 393 H GLU 50 H GLU 50 -8.283 -4.000 -5.494 394 HA GLU 50 HA GLU 50 -9.526 -6.617 -5.787 395 1HB GLU 50 2HB GLU 50 -7.756 -6.481 -4.149 396 2HB GLU 50 1HB GLU 50 -8.509 -5.097 -3.370 397 1HG GLU 50 2HG GLU 50 -8.924 -6.939 -1.974 398 2HG GLU 50 1HG GLU 50 -10.441 -6.614 -2.805 399 H LYS 51 H LYS 51 -10.266 -3.368 -4.902 400 HA LYS 51 HA LYS 51 -12.935 -4.116 -3.966 401 1HB LYS 51 2HB LYS 51 -11.666 -2.386 -2.719 402 2HB LYS 51 1HB LYS 51 -11.617 -1.393 -4.169 403 1HG LYS 51 2HG LYS 51 -13.951 -1.026 -4.104 404 2HG LYS 51 1HG LYS 51 -14.181 -2.269 -2.874 405 1HD LYS 51 2HD LYS 51 -12.842 -0.904 -1.305 406 2HD LYS 51 1HD LYS 51 -12.737 0.358 -2.533 407 1HE LYS 51 2HE LYS 51 -14.508 0.773 -0.859 408 2HE LYS 51 1HE LYS 51 -15.127 0.652 -2.504 409 1HZ LYS 51 1HZ LYS 51 -15.941 -1.512 -2.088 410 2HZ LYS 51 2HZ LYS 51 -16.434 -0.560 -0.773 411 3HZ LYS 51 3HZ LYS 51 -15.127 -1.627 -0.604 412 H GLN 52 H GLN 52 -11.185 -3.239 -6.676 413 HA GLN 52 HA GLN 52 -13.452 -2.109 -8.119 414 1HB GLN 52 2HB GLN 52 -10.540 -2.446 -8.597 415 2HB GLN 52 1HB GLN 52 -11.595 -2.229 -9.999 416 1HG GLN 52 2HG GLN 52 -11.332 -0.365 -7.644 417 2HG GLN 52 1HG GLN 52 -10.662 -0.108 -9.254 418 1HE2 GLN 52 1HE2 GLN 52 -13.556 -0.141 -7.320 419 2HE2 GLN 52 2HE2 GLN 52 -14.577 0.648 -8.469 420 H SER 53 H SER 53 -11.845 -5.157 -7.767 421 HA SER 53 HA SER 53 -12.895 -6.309 -10.171 422 1HB SER 53 2HB SER 53 -12.161 -8.478 -9.025 423 2HB SER 53 1HB SER 53 -10.900 -7.292 -9.364 424 HG SER 53 HG SER 53 -10.543 -7.137 -7.312 425 H GLY 54 H GLY 54 -14.279 -5.455 -7.271 426 1HA GLY 54 2HA GLY 54 -16.133 -7.594 -6.922 427 2HA GLY 54 1HA GLY 54 -16.253 -5.987 -6.219 428 H LEU 55 H LEU 55 -15.925 -5.040 -9.166 429 HA LEU 55 HA LEU 55 -18.782 -5.026 -9.733 430 1HB LEU 55 2HB LEU 55 -16.482 -3.561 -11.023 431 2HB LEU 55 1HB LEU 55 -18.142 -3.440 -11.563 432 HG LEU 55 HG LEU 55 -18.687 -2.581 -9.221 433 1HD1 LEU 55 1HD1 LEU 55 -15.694 -2.210 -9.143 434 2HD1 LEU 55 2HD1 LEU 55 -16.626 -3.306 -8.122 435 3HD1 LEU 55 3HD1 LEU 55 -16.855 -1.562 -7.984 436 1HD2 LEU 55 1HD2 LEU 55 -17.956 -0.307 -9.788 437 2HD2 LEU 55 2HD2 LEU 55 -18.650 -1.149 -11.175 438 3HD2 LEU 55 3HD2 LEU 55 -16.900 -0.969 -11.035 439 H TYR 56 H TYR 56 -15.813 -5.520 -11.584 440 HA TYR 56 HA TYR 56 -15.248 -6.809 -13.347 441 1HB TYR 56 2HB TYR 56 -16.200 -8.635 -11.949 442 2HB TYR 56 1HB TYR 56 -17.759 -8.358 -12.705 443 HD1 TYR 56 HD1 TYR 56 -14.280 -9.425 -13.361 444 HD2 TYR 56 HD2 TYR 56 -18.289 -9.381 -14.777 445 HE1 TYR 56 HE1 TYR 56 -13.675 -11.038 -15.107 446 HE2 TYR 56 HE2 TYR 56 -17.689 -10.992 -16.538 447 HH TYR 56 HH TYR 56 -15.720 -11.770 -17.736 448 H LYS 57 H LYS 57 -18.756 -6.712 -13.400 449 HA LYS 57 HA LYS 57 -19.408 -4.711 -15.059 450 1HB LYS 57 2HB LYS 57 -17.853 -5.803 -16.748 451 2HB LYS 57 1HB LYS 57 -19.009 -7.123 -16.847 452 1HG LYS 57 2HG LYS 57 -20.726 -5.577 -17.618 453 2HG LYS 57 1HG LYS 57 -19.579 -4.241 -17.505 454 1HD LYS 57 2HD LYS 57 -19.123 -6.665 -19.226 455 2HD LYS 57 1HD LYS 57 -19.927 -5.209 -19.810 456 1HE LYS 57 2HE LYS 57 -17.920 -3.902 -19.227 457 2HE LYS 57 1HE LYS 57 -17.121 -5.390 -18.718 458 1HZ LYS 57 1HZ LYS 57 -18.153 -4.878 -21.455 459 2HZ LYS 57 2HZ LYS 57 -17.273 -6.235 -20.947 460 3HZ LYS 57 3HZ LYS 57 -16.531 -4.711 -20.994 461 H LEU 58 H LEU 58 -20.344 -6.702 -13.040 462 HA LEU 58 HA LEU 58 -22.928 -7.376 -14.180 463 1HB LEU 58 2HB LEU 58 -20.946 -9.306 -13.001 464 2HB LEU 58 1HB LEU 58 -22.655 -9.644 -13.044 465 HG LEU 58 HG LEU 58 -20.927 -9.156 -15.469 466 1HD1 LEU 58 1HD1 LEU 58 -20.397 -11.263 -14.344 467 2HD1 LEU 58 2HD1 LEU 58 -21.187 -11.535 -15.898 468 3HD1 LEU 58 3HD1 LEU 58 -22.100 -11.719 -14.400 469 1HD2 LEU 58 1HD2 LEU 58 -23.799 -10.057 -15.244 470 2HD2 LEU 58 2HD2 LEU 58 -22.869 -9.910 -16.736 471 3HD2 LEU 58 3HD2 LEU 58 -23.256 -8.472 -15.791 472 H GLU 59 H GLU 59 -20.808 -7.121 -11.404 473 HA GLU 59 HA GLU 59 -21.114 -6.772 -9.205 474 1HB GLU 59 2HB GLU 59 -22.551 -4.877 -9.907 475 2HB GLU 59 1HB GLU 59 -23.936 -5.960 -9.926 476 1HG GLU 59 2HG GLU 59 -23.670 -6.364 -7.541 477 2HG GLU 59 1HG GLU 59 -22.268 -5.300 -7.510 478 H HIS 60 H HIS 60 -20.828 -8.916 -8.749 479 HA HIS 60 HA HIS 60 -22.884 -10.859 -8.733 480 1HB HIS 60 2HB HIS 60 -20.436 -11.365 -8.684 481 2HB HIS 60 1HB HIS 60 -20.369 -10.743 -7.041 482 HD1 HIS 60 HD1 HIS 60 -20.777 -12.388 -5.218 483 HD2 HIS 60 HD2 HIS 60 -22.103 -13.756 -8.915 484 HE1 HIS 60 HE1 HIS 60 -21.454 -14.787 -4.855 485 HE2 HIS 60 HE2 HIS 60 -22.010 -15.654 -7.160 Start of MODEL 6 1 1H MET 1 1H MET 1 6.813 -5.828 18.857 2 2H MET 1 2H MET 1 7.995 -4.641 18.587 3 3H MET 1 3H MET 1 8.449 -6.265 18.772 4 HA MET 1 HA MET 1 7.218 -6.834 16.761 5 1HB MET 1 2HB MET 1 7.025 -3.836 16.403 6 2HB MET 1 1HB MET 1 6.458 -5.064 15.280 7 1HG MET 1 2HG MET 1 4.877 -5.839 17.044 8 2HG MET 1 1HG MET 1 5.365 -4.452 18.013 9 1HE MET 1 1HE MET 1 3.042 -4.271 14.037 10 2HE MET 1 2HE MET 1 3.394 -5.749 14.934 11 3HE MET 1 3HE MET 1 4.697 -4.873 14.132 12 H LYS 2 H LYS 2 8.124 -5.869 14.443 13 HA LYS 2 HA LYS 2 10.884 -6.541 14.654 14 1HB LYS 2 2HB LYS 2 9.215 -5.652 12.297 15 2HB LYS 2 1HB LYS 2 10.894 -6.139 12.167 16 1HG LYS 2 2HG LYS 2 9.556 -7.975 11.498 17 2HG LYS 2 1HG LYS 2 10.241 -8.371 13.070 18 1HD LYS 2 2HD LYS 2 8.167 -7.919 14.167 19 2HD LYS 2 1HD LYS 2 7.475 -7.237 12.695 20 1HE LYS 2 2HE LYS 2 8.400 -10.094 12.920 21 2HE LYS 2 1HE LYS 2 6.749 -9.583 13.268 22 1HZ LYS 2 1HZ LYS 2 6.520 -8.797 11.019 23 2HZ LYS 2 2HZ LYS 2 7.035 -10.413 10.988 24 3HZ LYS 2 3HZ LYS 2 8.139 -9.169 10.671 25 H ARG 3 H ARG 3 12.696 -5.308 14.008 26 HA ARG 3 HA ARG 3 12.261 -2.439 13.572 27 1HB ARG 3 2HB ARG 3 14.045 -3.701 15.630 28 2HB ARG 3 1HB ARG 3 14.421 -2.117 14.966 29 1HG ARG 3 2HG ARG 3 11.783 -2.781 16.243 30 2HG ARG 3 1HG ARG 3 13.156 -2.126 17.134 31 1HD ARG 3 2HD ARG 3 11.689 -0.319 16.548 32 2HD ARG 3 1HD ARG 3 13.163 -0.177 15.596 33 HE ARG 3 HE ARG 3 11.076 -1.583 14.216 34 1HH1 ARG 3 1HH1 ARG 3 12.264 1.599 15.052 35 2HH1 ARG 3 2HH1 ARG 3 11.586 2.371 13.648 36 1HH2 ARG 3 1HH2 ARG 3 10.148 -0.581 12.372 37 2HH2 ARG 3 2HH2 ARG 3 10.359 1.132 12.141 38 H GLN 4 H GLN 4 12.925 -4.773 11.882 39 HA GLN 4 HA GLN 4 15.632 -4.342 10.987 40 1HB GLN 4 2HB GLN 4 13.334 -5.855 9.731 41 2HB GLN 4 1HB GLN 4 14.968 -5.820 9.092 42 1HG GLN 4 2HG GLN 4 15.753 -6.859 11.205 43 2HG GLN 4 1HG GLN 4 14.068 -7.000 11.709 44 1HE2 GLN 4 1HE2 GLN 4 14.149 -9.262 11.758 45 2HE2 GLN 4 2HE2 GLN 4 14.207 -10.203 10.306 46 H LYS 5 H LYS 5 15.761 -4.075 8.436 47 HA LYS 5 HA LYS 5 14.644 -1.520 7.769 48 1HB LYS 5 2HB LYS 5 16.884 -2.296 6.994 49 2HB LYS 5 1HB LYS 5 16.087 -3.507 6.000 50 1HG LYS 5 2HG LYS 5 15.056 -1.815 4.661 51 2HG LYS 5 1HG LYS 5 15.668 -0.544 5.721 52 1HD LYS 5 2HD LYS 5 17.990 -1.339 5.161 53 2HD LYS 5 1HD LYS 5 17.258 -2.378 3.939 54 1HE LYS 5 2HE LYS 5 16.384 -0.480 2.762 55 2HE LYS 5 1HE LYS 5 16.913 0.610 4.044 56 1HZ LYS 5 1HZ LYS 5 18.612 -0.930 2.165 57 2HZ LYS 5 2HZ LYS 5 19.227 -0.164 3.544 58 3HZ LYS 5 3HZ LYS 5 18.504 0.759 2.319 59 H ARG 6 H ARG 6 14.086 -4.874 6.902 60 HA ARG 6 HA ARG 6 12.052 -4.402 4.985 61 1HB ARG 6 2HB ARG 6 13.244 -6.506 5.030 62 2HB ARG 6 1HB ARG 6 12.695 -6.832 6.665 63 1HG ARG 6 2HG ARG 6 10.386 -6.986 5.851 64 2HG ARG 6 1HG ARG 6 10.960 -6.696 4.208 65 1HD ARG 6 2HD ARG 6 12.211 -8.736 4.219 66 2HD ARG 6 1HD ARG 6 11.882 -8.989 5.933 67 HE ARG 6 HE ARG 6 9.520 -9.296 5.310 68 1HH1 ARG 6 1HH1 ARG 6 11.959 -9.634 2.803 69 2HH1 ARG 6 2HH1 ARG 6 10.958 -10.658 1.808 70 1HH2 ARG 6 1HH2 ARG 6 8.232 -10.609 4.028 71 2HH2 ARG 6 2HH2 ARG 6 8.831 -11.226 2.515 72 H ASP 7 H ASP 7 12.087 -4.199 8.390 73 HA ASP 7 HA ASP 7 9.569 -4.997 9.206 74 1HB ASP 7 2HB ASP 7 11.165 -4.191 10.828 75 2HB ASP 7 1HB ASP 7 11.180 -2.601 10.094 76 H ARG 8 H ARG 8 10.511 -1.749 8.214 77 HA ARG 8 HA ARG 8 7.847 -0.774 8.305 78 1HB ARG 8 2HB ARG 8 8.788 1.305 7.504 79 2HB ARG 8 1HB ARG 8 9.830 0.607 8.740 80 1HG ARG 8 2HG ARG 8 11.454 -0.029 7.172 81 2HG ARG 8 1HG ARG 8 10.362 0.227 5.811 82 1HD ARG 8 2HD ARG 8 10.369 2.620 6.220 83 2HD ARG 8 1HD ARG 8 11.388 2.394 7.641 84 HE ARG 8 HE ARG 8 13.214 2.238 6.268 85 1HH1 ARG 8 1HH1 ARG 8 10.333 1.802 4.330 86 2HH1 ARG 8 2HH1 ARG 8 11.179 1.897 2.809 87 1HH2 ARG 8 1HH2 ARG 8 14.321 2.391 4.277 88 2HH2 ARG 8 2HH2 ARG 8 13.444 2.226 2.783 89 H LEU 9 H LEU 9 9.568 -2.532 6.003 90 HA LEU 9 HA LEU 9 8.095 -1.494 3.726 91 1HB LEU 9 2HB LEU 9 10.271 -3.538 4.044 92 2HB LEU 9 1HB LEU 9 9.408 -3.336 2.529 93 HG LEU 9 HG LEU 9 10.958 -1.152 3.921 94 1HD1 LEU 9 1HD1 LEU 9 11.661 -2.824 1.511 95 2HD1 LEU 9 2HD1 LEU 9 12.449 -2.892 3.089 96 3HD1 LEU 9 3HD1 LEU 9 12.573 -1.435 2.101 97 1HD2 LEU 9 1HD2 LEU 9 10.647 0.026 1.785 98 2HD2 LEU 9 2HD2 LEU 9 9.121 -0.302 2.606 99 3HD2 LEU 9 3HD2 LEU 9 9.611 -1.292 1.232 100 H GLU 10 H GLU 10 8.449 -4.588 5.439 101 HA GLU 10 HA GLU 10 6.459 -5.936 3.935 102 1HB GLU 10 2HB GLU 10 8.234 -7.045 5.308 103 2HB GLU 10 1HB GLU 10 7.378 -6.526 6.754 104 1HG GLU 10 2HG GLU 10 5.439 -7.849 6.089 105 2HG GLU 10 1HG GLU 10 6.290 -8.363 4.632 106 H ARG 11 H ARG 11 6.404 -3.854 6.719 107 HA ARG 11 HA ARG 11 3.626 -4.420 7.260 108 1HB ARG 11 2HB ARG 11 5.599 -2.523 8.520 109 2HB ARG 11 1HB ARG 11 3.884 -2.496 8.923 110 1HG ARG 11 2HG ARG 11 4.205 -5.036 9.346 111 2HG ARG 11 1HG ARG 11 5.914 -4.623 9.457 112 1HD ARG 11 2HD ARG 11 3.908 -3.067 11.020 113 2HD ARG 11 1HD ARG 11 4.413 -4.654 11.589 114 HE ARG 11 HE ARG 11 6.781 -3.501 11.239 115 1HH1 ARG 11 1HH1 ARG 11 3.852 -2.151 12.612 116 2HH1 ARG 11 2HH1 ARG 11 4.691 -1.225 13.822 117 1HH2 ARG 11 1HH2 ARG 11 7.893 -2.286 12.806 118 2HH2 ARG 11 2HH2 ARG 11 6.996 -1.304 13.936 119 H ALA 12 H ALA 12 5.538 -2.000 5.581 120 HA ALA 12 HA ALA 12 3.419 -0.258 4.917 121 1HB ALA 12 1HB ALA 12 4.775 0.451 3.037 122 2HB ALA 12 2HB ALA 12 5.800 -0.976 3.203 123 3HB ALA 12 3HB ALA 12 5.795 0.260 4.466 124 H GLN 13 H GLN 13 4.472 -3.349 3.679 125 HA GLN 13 HA GLN 13 2.918 -3.417 1.328 126 1HB GLN 13 2HB GLN 13 4.746 -5.005 1.879 127 2HB GLN 13 1HB GLN 13 3.719 -5.732 3.103 128 1HG GLN 13 2HG GLN 13 2.100 -6.317 1.322 129 2HG GLN 13 1HG GLN 13 3.252 -5.708 0.133 130 1HE2 GLN 13 1HE2 GLN 13 2.528 -8.234 2.388 131 2HE2 GLN 13 2HE2 GLN 13 3.756 -9.332 1.871 132 H SER 14 H SER 14 2.227 -4.356 4.657 133 HA SER 14 HA SER 14 -0.435 -5.244 4.017 134 1HB SER 14 2HB SER 14 0.919 -6.279 5.830 135 2HB SER 14 1HB SER 14 0.827 -4.765 6.728 136 HG SER 14 HG SER 14 -1.460 -6.216 5.860 137 H GLN 15 H GLN 15 1.059 -2.387 5.484 138 HA GLN 15 HA GLN 15 -1.420 -1.187 6.225 139 1HB GLN 15 2HB GLN 15 0.941 -0.681 7.153 140 2HB GLN 15 1HB GLN 15 1.129 0.345 5.740 141 1HG GLN 15 2HG GLN 15 -1.274 0.715 7.455 142 2HG GLN 15 1HG GLN 15 0.280 1.308 8.032 143 1HE2 GLN 15 1HE2 GLN 15 1.303 2.011 5.459 144 2HE2 GLN 15 2HE2 GLN 15 0.441 3.423 4.946 145 H GLY 16 H GLY 16 0.515 -1.263 3.332 146 1HA GLY 16 2HA GLY 16 -0.739 0.836 1.922 147 2HA GLY 16 1HA GLY 16 0.044 -0.563 1.196 148 H TYR 17 H TYR 17 -1.566 -2.569 2.351 149 HA TYR 17 HA TYR 17 -3.831 -2.607 0.677 150 1HB TYR 17 2HB TYR 17 -2.705 -4.623 1.648 151 2HB TYR 17 1HB TYR 17 -3.381 -4.199 3.216 152 HD1 TYR 17 HD2 TYR 17 -4.225 -5.264 -0.216 153 HD2 TYR 17 HD1 TYR 17 -5.628 -4.759 3.767 154 HE1 TYR 17 HE2 TYR 17 -6.255 -6.522 -0.784 155 HE2 TYR 17 HE1 TYR 17 -7.664 -6.022 3.217 156 HH TYR 17 HH TYR 17 -7.999 -7.759 0.249 157 H LYS 18 H LYS 18 -3.453 -1.985 4.143 158 HA LYS 18 HA LYS 18 -6.102 -1.304 4.735 159 1HB LYS 18 2HB LYS 18 -4.516 -1.684 6.499 160 2HB LYS 18 1HB LYS 18 -3.485 -0.381 5.932 161 1HG LYS 18 2HG LYS 18 -5.294 1.221 6.496 162 2HG LYS 18 1HG LYS 18 -6.204 -0.123 7.191 163 1HD LYS 18 2HD LYS 18 -4.397 -0.547 8.771 164 2HD LYS 18 1HD LYS 18 -3.456 0.764 8.060 165 1HE LYS 18 2HE LYS 18 -5.194 2.360 8.713 166 2HE LYS 18 1HE LYS 18 -6.128 1.048 9.431 167 1HZ LYS 18 1HZ LYS 18 -3.420 1.925 10.287 168 2HZ LYS 18 2HZ LYS 18 -4.303 0.653 10.976 169 3HZ LYS 18 3HZ LYS 18 -4.870 2.246 11.108 170 H ALA 19 H ALA 19 -3.482 0.530 3.326 171 HA ALA 19 HA ALA 19 -4.701 3.087 3.545 172 1HB ALA 19 1HB ALA 19 -2.481 2.148 1.740 173 2HB ALA 19 2HB ALA 19 -2.299 2.867 3.339 174 3HB ALA 19 3HB ALA 19 -2.940 3.831 2.010 175 H GLY 20 H GLY 20 -4.611 0.630 1.002 176 1HA GLY 20 2HA GLY 20 -5.957 2.175 -0.953 177 2HA GLY 20 1HA GLY 20 -5.902 0.428 -0.877 178 H LEU 21 H LEU 21 -7.040 0.326 1.768 179 HA LEU 21 HA LEU 21 -9.833 0.409 1.081 180 1HB LEU 21 2HB LEU 21 -8.214 -0.465 3.437 181 2HB LEU 21 1HB LEU 21 -9.933 -0.218 3.634 182 HG LEU 21 HG LEU 21 -10.487 -2.060 2.338 183 1HD1 LEU 21 1HD1 LEU 21 -7.705 -2.074 1.176 184 2HD1 LEU 21 2HD1 LEU 21 -9.147 -1.468 0.361 185 3HD1 LEU 21 3HD1 LEU 21 -9.017 -3.180 0.770 186 1HD2 LEU 21 1HD2 LEU 21 -9.002 -3.896 3.084 187 2HD2 LEU 21 2HD2 LEU 21 -9.455 -2.786 4.379 188 3HD2 LEU 21 3HD2 LEU 21 -7.850 -2.684 3.652 189 H ASN 22 H ASN 22 -7.737 1.967 3.439 190 HA ASN 22 HA ASN 22 -9.959 3.628 4.388 191 1HB ASN 22 2HB ASN 22 -8.486 2.175 5.858 192 2HB ASN 22 1HB ASN 22 -7.217 3.345 5.588 193 1HD2 ASN 22 1HD2 ASN 22 -10.176 2.675 7.215 194 2HD2 ASN 22 2HD2 ASN 22 -10.214 4.120 8.182 195 H GLY 23 H GLY 23 -6.696 3.853 3.061 196 1HA GLY 23 2HA GLY 23 -6.544 6.682 3.768 197 2HA GLY 23 1HA GLY 23 -5.271 5.719 3.023 198 H ARG 24 H ARG 24 -7.412 4.690 1.199 199 HA ARG 24 HA ARG 24 -8.118 5.022 -0.934 200 1HB ARG 24 2HB ARG 24 -9.542 6.735 0.021 201 2HB ARG 24 1HB ARG 24 -8.234 7.907 -0.072 202 1HG ARG 24 2HG ARG 24 -8.268 7.662 -2.545 203 2HG ARG 24 1HG ARG 24 -9.679 6.616 -2.376 204 1HD ARG 24 2HD ARG 24 -9.484 9.481 -1.462 205 2HD ARG 24 1HD ARG 24 -10.307 8.919 -2.916 206 HE ARG 24 HE ARG 24 -11.564 7.500 -1.036 207 1HH1 ARG 24 1HH1 ARG 24 -10.676 10.882 -1.093 208 2HH1 ARG 24 2HH1 ARG 24 -12.059 11.400 -0.176 209 1HH2 ARG 24 1HH2 ARG 24 -13.410 8.175 0.160 210 2HH2 ARG 24 2HH2 ARG 24 -13.620 9.863 0.516 211 H SER 25 H SER 25 -5.869 7.675 -0.169 212 HA SER 25 HA SER 25 -4.940 7.661 -2.938 213 1HB SER 25 2HB SER 25 -4.298 9.598 -0.712 214 2HB SER 25 1HB SER 25 -4.002 9.830 -2.431 215 HG SER 25 HG SER 25 -6.322 10.120 -0.975 216 H GLN 26 H GLN 26 -2.532 8.314 -3.149 217 HA GLN 26 HA GLN 26 -0.928 6.272 -1.845 218 1HB GLN 26 2HB GLN 26 0.032 8.369 -3.789 219 2HB GLN 26 1HB GLN 26 0.767 6.814 -3.427 220 1HG GLN 26 2HG GLN 26 -1.031 5.656 -4.520 221 2HG GLN 26 1HG GLN 26 -1.888 7.175 -4.785 222 1HE2 GLN 26 1HE2 GLN 26 -0.937 5.193 -6.713 223 2HE2 GLN 26 2HE2 GLN 26 0.104 6.048 -7.795 224 H GLU 27 H GLU 27 -1.701 9.543 -1.498 225 HA GLU 27 HA GLU 27 0.548 10.717 -0.351 226 1HB GLU 27 2HB GLU 27 -1.652 11.800 -0.998 227 2HB GLU 27 1HB GLU 27 -2.318 11.171 0.501 228 1HG GLU 27 2HG GLU 27 -1.747 13.422 0.891 229 2HG GLU 27 1HG GLU 27 -0.537 12.441 1.715 230 H ALA 28 H ALA 28 -1.414 8.203 0.802 231 HA ALA 28 HA ALA 28 -1.052 8.674 3.624 232 1HB ALA 28 1HB ALA 28 -2.335 6.630 3.897 233 2HB ALA 28 2HB ALA 28 -2.199 6.296 2.171 234 3HB ALA 28 3HB ALA 28 -3.115 7.697 2.722 235 H CYS 29 H CYS 29 1.291 8.076 1.716 236 HA CYS 29 HA CYS 29 2.360 5.712 3.104 237 1HB CYS 29 2HB CYS 29 2.345 5.519 0.668 238 2HB CYS 29 1HB CYS 29 3.260 7.015 0.524 239 HG CYS 29 HG CYS 29 5.337 5.504 0.112 240 HA PRO 30 HA PRO 30 5.021 8.941 4.943 241 1HB PRO 30 2HB PRO 30 4.748 8.250 7.483 242 2HB PRO 30 1HB PRO 30 3.412 9.047 6.639 243 1HG PRO 30 2HG PRO 30 3.789 6.144 7.277 244 2HG PRO 30 1HG PRO 30 2.323 7.132 7.397 245 1HD PRO 30 2HD PRO 30 2.952 5.460 5.259 246 2HD PRO 30 1HD PRO 30 1.793 6.799 5.208 247 H TYR 31 H TYR 31 6.049 6.560 3.646 248 HA TYR 31 HA TYR 31 7.879 5.510 5.703 249 1HB TYR 31 2HB TYR 31 6.906 4.187 3.170 250 2HB TYR 31 1HB TYR 31 8.135 3.515 4.237 251 HD1 TYR 31 HD1 TYR 31 7.508 2.808 6.543 252 HD2 TYR 31 HD2 TYR 31 4.594 4.003 3.685 253 HE1 TYR 31 HE1 TYR 31 5.756 1.726 7.887 254 HE2 TYR 31 HE2 TYR 31 2.835 2.927 5.021 255 HH TYR 31 HH TYR 31 3.314 1.901 8.210 256 H GLN 32 H GLN 32 8.118 5.281 2.190 257 HA GLN 32 HA GLN 32 10.582 6.810 2.121 258 1HB GLN 32 2HB GLN 32 11.106 4.469 3.021 259 2HB GLN 32 1HB GLN 32 10.613 3.852 1.458 260 1HG GLN 32 2HG GLN 32 12.973 3.931 1.495 261 2HG GLN 32 1HG GLN 32 12.429 5.211 0.426 262 1HE2 GLN 32 1HE2 GLN 32 14.305 6.378 0.633 263 2HE2 GLN 32 2HE2 GLN 32 14.738 7.218 2.088 264 H GLN 33 H GLN 33 11.514 6.368 -0.327 265 HA GLN 33 HA GLN 33 9.178 6.479 -2.052 266 1HB GLN 33 2HB GLN 33 10.898 8.281 -2.122 267 2HB GLN 33 1HB GLN 33 12.030 7.096 -2.754 268 1HG GLN 33 2HG GLN 33 10.481 6.734 -4.667 269 2HG GLN 33 1HG GLN 33 9.498 8.062 -4.055 270 1HE2 GLN 33 1HE2 GLN 33 9.796 9.354 -5.829 271 2HE2 GLN 33 2HE2 GLN 33 11.309 10.096 -6.218 272 H VAL 34 H VAL 34 12.451 5.201 -2.641 273 HA VAL 34 HA VAL 34 11.650 3.676 -4.830 274 HB VAL 34 HB VAL 34 14.032 3.214 -3.025 275 1HG1 VAL 34 1HG1 VAL 34 13.617 1.275 -4.414 276 2HG1 VAL 34 2HG1 VAL 34 15.039 2.137 -5.002 277 3HG1 VAL 34 3HG1 VAL 34 13.499 2.293 -5.848 278 1HG2 VAL 34 1HG2 VAL 34 14.000 5.472 -3.891 279 2HG2 VAL 34 2HG2 VAL 34 13.731 4.871 -5.526 280 3HG2 VAL 34 3HG2 VAL 34 15.256 4.538 -4.707 281 H ASP 35 H ASP 35 12.517 2.472 -1.604 282 HA ASP 35 HA ASP 35 11.831 -0.213 -2.297 283 1HB ASP 35 2HB ASP 35 12.012 -0.615 0.218 284 2HB ASP 35 1HB ASP 35 13.443 -0.062 -0.607 285 H ALA 36 H ALA 36 10.274 2.444 -0.759 286 HA ALA 36 HA ALA 36 8.209 0.935 0.369 287 1HB ALA 36 1HB ALA 36 8.738 3.070 1.316 288 2HB ALA 36 2HB ALA 36 7.082 3.137 0.704 289 3HB ALA 36 3HB ALA 36 8.395 3.887 -0.212 290 H ARG 37 H ARG 37 8.622 2.585 -2.719 291 HA ARG 37 HA ARG 37 6.023 2.283 -3.719 292 1HB ARG 37 2HB ARG 37 8.699 2.207 -5.111 293 2HB ARG 37 1HB ARG 37 7.187 2.029 -5.986 294 1HG ARG 37 2HG ARG 37 6.503 4.255 -5.019 295 2HG ARG 37 1HG ARG 37 8.171 4.424 -4.466 296 1HD ARG 37 2HD ARG 37 8.962 4.157 -6.769 297 2HD ARG 37 1HD ARG 37 7.298 3.988 -7.319 298 HE ARG 37 HE ARG 37 8.680 6.425 -6.663 299 1HH1 ARG 37 1HH1 ARG 37 5.531 4.913 -6.996 300 2HH1 ARG 37 2HH1 ARG 37 4.693 6.416 -7.238 301 1HH2 ARG 37 1HH2 ARG 37 7.580 8.390 -7.045 302 2HH2 ARG 37 2HH2 ARG 37 5.860 8.382 -7.320 303 H SER 38 H SER 38 8.772 0.054 -3.696 304 HA SER 38 HA SER 38 7.565 -1.920 -5.310 305 1HB SER 38 2HB SER 38 10.005 -1.744 -4.972 306 2HB SER 38 1HB SER 38 9.799 -2.215 -3.286 307 HG SER 38 HG SER 38 8.579 -4.061 -4.679 308 H TYR 39 H TYR 39 7.458 -1.289 -1.867 309 HA TYR 39 HA TYR 39 6.115 -3.838 -1.461 310 1HB TYR 39 2HB TYR 39 7.506 -1.959 0.397 311 2HB TYR 39 1HB TYR 39 6.336 -3.113 1.030 312 HD1 TYR 39 HD2 TYR 39 9.616 -2.736 -0.582 313 HD2 TYR 39 HD1 TYR 39 6.805 -5.475 1.062 314 HE1 TYR 39 HE2 TYR 39 11.344 -4.487 -0.562 315 HE2 TYR 39 HE1 TYR 39 8.525 -7.235 1.088 316 HH TYR 39 HH TYR 39 10.644 -7.763 -0.115 317 H TRP 40 H TRP 40 5.659 -0.428 -0.581 318 HA TRP 40 HA TRP 40 3.143 -0.837 0.650 319 1HB TRP 40 2HB TRP 40 4.712 1.080 1.077 320 2HB TRP 40 1HB TRP 40 4.241 1.741 -0.480 321 HD1 TRP 40 HD1 TRP 40 2.854 1.091 3.032 322 HE1 TRP 40 HE1 TRP 40 0.823 2.622 3.404 323 HE3 TRP 40 HE3 TRP 40 2.415 3.025 -1.681 324 HZ2 TRP 40 HZ2 TRP 40 -0.745 4.415 1.915 325 HZ3 TRP 40 HZ3 TRP 40 0.614 4.644 -2.121 326 HH2 TRP 40 HH2 TRP 40 -0.936 5.319 -0.357 327 H LEU 41 H LEU 41 4.089 0.214 -2.623 328 HA LEU 41 HA LEU 41 1.403 0.855 -3.374 329 1HB LEU 41 2HB LEU 41 3.971 0.548 -4.875 330 2HB LEU 41 1HB LEU 41 2.454 0.679 -5.746 331 HG LEU 41 HG LEU 41 3.543 2.726 -3.811 332 1HD1 LEU 41 1HD1 LEU 41 4.805 2.632 -5.905 333 2HD1 LEU 41 2HD1 LEU 41 3.854 4.113 -5.793 334 3HD1 LEU 41 3HD1 LEU 41 3.300 2.788 -6.816 335 1HD2 LEU 41 1HD2 LEU 41 1.113 2.638 -3.796 336 2HD2 LEU 41 2HD2 LEU 41 1.085 2.742 -5.556 337 3HD2 LEU 41 3HD2 LEU 41 1.676 4.105 -4.600 338 H GLY 42 H GLY 42 3.243 -2.039 -3.249 339 1HA GLY 42 2HA GLY 42 1.781 -3.535 -5.158 340 2HA GLY 42 1HA GLY 42 2.733 -4.204 -3.837 341 H GLY 43 H GLY 43 1.504 -3.245 -1.632 342 1HA GLY 43 2HA GLY 43 -0.889 -4.794 -1.482 343 2HA GLY 43 1HA GLY 43 -0.248 -3.752 -0.220 344 H TRP 44 H TRP 44 -0.183 -1.389 -1.878 345 HA TRP 44 HA TRP 44 -2.759 -0.388 -1.386 346 1HB TRP 44 2HB TRP 44 -0.704 1.002 -1.492 347 2HB TRP 44 1HB TRP 44 -0.651 0.756 -3.234 348 HD1 TRP 44 HD1 TRP 44 -2.789 2.481 -0.537 349 HE1 TRP 44 HE1 TRP 44 -4.118 4.386 -1.647 350 HE3 TRP 44 HE3 TRP 44 -1.546 1.598 -5.412 351 HZ2 TRP 44 HZ2 TRP 44 -4.575 5.381 -4.247 352 HZ3 TRP 44 HZ3 TRP 44 -2.467 3.074 -7.152 353 HH2 TRP 44 HH2 TRP 44 -3.952 4.928 -6.579 354 H ARG 45 H ARG 45 -1.158 -1.257 -4.464 355 HA ARG 45 HA ARG 45 -3.405 -0.694 -6.074 356 1HB ARG 45 2HB ARG 45 -1.011 -2.461 -6.528 357 2HB ARG 45 1HB ARG 45 -2.264 -2.238 -7.740 358 1HG ARG 45 2HG ARG 45 -1.812 0.220 -7.633 359 2HG ARG 45 1HG ARG 45 -0.428 -0.147 -6.601 360 1HD ARG 45 2HD ARG 45 -0.868 -1.202 -9.391 361 2HD ARG 45 1HD ARG 45 0.218 0.118 -8.958 362 HE ARG 45 HE ARG 45 1.475 -1.551 -7.630 363 1HH1 ARG 45 1HH1 ARG 45 -0.622 -2.662 -10.215 364 2HH1 ARG 45 2HH1 ARG 45 0.308 -4.100 -10.525 365 1HH2 ARG 45 1HH2 ARG 45 2.681 -3.443 -8.010 366 2HH2 ARG 45 2HH2 ARG 45 2.167 -4.564 -9.239 367 H ASP 46 H ASP 46 -2.354 -3.622 -4.411 368 HA ASP 46 HA ASP 46 -4.221 -5.417 -5.472 369 1HB ASP 46 2HB ASP 46 -2.360 -6.123 -4.017 370 2HB ASP 46 1HB ASP 46 -3.111 -5.306 -2.654 371 H ALA 47 H ALA 47 -4.416 -3.565 -2.455 372 HA ALA 47 HA ALA 47 -7.066 -4.190 -1.826 373 1HB ALA 47 1HB ALA 47 -5.451 -3.233 -0.250 374 2HB ALA 47 2HB ALA 47 -6.954 -2.313 -0.294 375 3HB ALA 47 3HB ALA 47 -5.522 -1.701 -1.122 376 H ARG 48 H ARG 48 -5.719 -1.399 -3.546 377 HA ARG 48 HA ARG 48 -8.143 0.021 -3.683 378 1HB ARG 48 2HB ARG 48 -5.817 0.957 -4.003 379 2HB ARG 48 1HB ARG 48 -5.851 0.280 -5.627 380 1HG ARG 48 2HG ARG 48 -6.440 2.629 -5.663 381 2HG ARG 48 1HG ARG 48 -7.817 1.635 -6.149 382 1HD ARG 48 2HD ARG 48 -8.595 1.763 -3.749 383 2HD ARG 48 1HD ARG 48 -7.354 2.990 -3.503 384 HE ARG 48 HE ARG 48 -8.772 3.867 -5.673 385 1HH1 ARG 48 1HH1 ARG 48 -9.565 3.010 -2.361 386 2HH1 ARG 48 2HH1 ARG 48 -10.919 4.090 -2.279 387 1HH2 ARG 48 1HH2 ARG 48 -10.542 5.286 -5.554 388 2HH2 ARG 48 2HH2 ARG 48 -11.482 5.382 -4.093 389 H ASP 49 H ASP 49 -6.520 -2.042 -6.106 390 HA ASP 49 HA ASP 49 -8.576 -1.549 -8.045 391 1HB ASP 49 2HB ASP 49 -6.247 -2.004 -8.718 392 2HB ASP 49 1HB ASP 49 -6.393 -3.641 -8.085 393 H GLU 50 H GLU 50 -8.269 -3.680 -5.446 394 HA GLU 50 HA GLU 50 -9.889 -5.816 -6.519 395 1HB GLU 50 2HB GLU 50 -8.137 -6.210 -4.784 396 2HB GLU 50 1HB GLU 50 -9.070 -5.237 -3.659 397 1HG GLU 50 2HG GLU 50 -9.367 -7.618 -3.263 398 2HG GLU 50 1HG GLU 50 -10.879 -6.840 -3.728 399 H LYS 51 H LYS 51 -10.181 -2.905 -4.728 400 HA LYS 51 HA LYS 51 -13.009 -3.297 -4.155 401 1HB LYS 51 2HB LYS 51 -11.594 -2.223 -2.472 402 2HB LYS 51 1HB LYS 51 -11.087 -1.011 -3.637 403 1HG LYS 51 2HG LYS 51 -13.278 -0.051 -3.680 404 2HG LYS 51 1HG LYS 51 -13.918 -1.358 -2.680 405 1HD LYS 51 2HD LYS 51 -11.680 0.401 -1.722 406 2HD LYS 51 1HD LYS 51 -13.365 0.886 -1.547 407 1HE LYS 51 2HE LYS 51 -12.623 -0.162 0.491 408 2HE LYS 51 1HE LYS 51 -13.805 -1.201 -0.299 409 1HZ LYS 51 1HZ LYS 51 -11.899 -2.433 0.585 410 2HZ LYS 51 2HZ LYS 51 -10.862 -1.572 -0.438 411 3HZ LYS 51 3HZ LYS 51 -12.029 -2.608 -1.096 412 H GLN 52 H GLN 52 -10.916 -2.164 -6.532 413 HA GLN 52 HA GLN 52 -12.653 -0.065 -7.539 414 1HB GLN 52 2HB GLN 52 -10.087 -0.071 -7.454 415 2HB GLN 52 1HB GLN 52 -10.181 -1.105 -8.871 416 1HG GLN 52 2HG GLN 52 -11.430 0.633 -10.060 417 2HG GLN 52 1HG GLN 52 -11.303 1.678 -8.647 418 1HE2 GLN 52 1HE2 GLN 52 -8.762 -0.452 -9.784 419 2HE2 GLN 52 2HE2 GLN 52 -7.676 0.804 -10.268 420 H SER 53 H SER 53 -11.021 -2.697 -9.302 421 HA SER 53 HA SER 53 -13.017 -2.527 -11.367 422 1HB SER 53 2HB SER 53 -11.617 -4.364 -12.422 423 2HB SER 53 1HB SER 53 -10.778 -2.844 -12.112 424 HG SER 53 HG SER 53 -9.547 -3.795 -10.677 425 H GLY 54 H GLY 54 -12.409 -4.526 -8.619 426 1HA GLY 54 2HA GLY 54 -14.097 -6.693 -9.497 427 2HA GLY 54 1HA GLY 54 -13.435 -6.472 -7.881 428 H LEU 55 H LEU 55 -14.579 -3.611 -8.236 429 HA LEU 55 HA LEU 55 -16.334 -2.448 -7.445 430 1HB LEU 55 2HB LEU 55 -17.904 -4.737 -8.633 431 2HB LEU 55 1HB LEU 55 -18.622 -3.258 -8.020 432 HG LEU 55 HG LEU 55 -16.679 -3.423 -10.326 433 1HD1 LEU 55 1HD1 LEU 55 -18.865 -4.369 -10.867 434 2HD1 LEU 55 2HD1 LEU 55 -18.593 -2.845 -11.710 435 3HD1 LEU 55 3HD1 LEU 55 -19.643 -2.894 -10.296 436 1HD2 LEU 55 1HD2 LEU 55 -16.504 -1.329 -9.073 437 2HD2 LEU 55 2HD2 LEU 55 -18.243 -1.090 -9.233 438 3HD2 LEU 55 3HD2 LEU 55 -17.215 -1.072 -10.665 439 H TYR 56 H TYR 56 -15.733 -2.609 -5.336 440 HA TYR 56 HA TYR 56 -16.197 -4.709 -3.569 441 1HB TYR 56 2HB TYR 56 -14.705 -2.970 -2.939 442 2HB TYR 56 1HB TYR 56 -15.938 -1.735 -3.141 443 HD1 TYR 56 HD2 TYR 56 -14.918 -4.597 -0.995 444 HD2 TYR 56 HD1 TYR 56 -17.312 -1.095 -1.342 445 HE1 TYR 56 HE2 TYR 56 -15.456 -4.730 1.402 446 HE2 TYR 56 HE1 TYR 56 -17.854 -1.220 1.052 447 HH TYR 56 HH TYR 56 -17.944 -2.908 2.831 448 H LYS 57 H LYS 57 -18.463 -2.499 -4.904 449 HA LYS 57 HA LYS 57 -20.701 -2.235 -4.671 450 1HB LYS 57 2HB LYS 57 -20.983 -4.624 -4.408 451 2HB LYS 57 1HB LYS 57 -20.454 -4.554 -2.737 452 1HG LYS 57 2HG LYS 57 -22.822 -4.842 -2.787 453 2HG LYS 57 1HG LYS 57 -22.465 -3.217 -2.201 454 1HD LYS 57 2HD LYS 57 -23.000 -2.277 -4.358 455 2HD LYS 57 1HD LYS 57 -23.221 -3.891 -5.041 456 1HE LYS 57 2HE LYS 57 -24.864 -2.714 -2.803 457 2HE LYS 57 1HE LYS 57 -25.360 -2.784 -4.493 458 1HZ LYS 57 1HZ LYS 57 -25.359 -5.158 -4.411 459 2HZ LYS 57 2HZ LYS 57 -26.279 -4.594 -3.105 460 3HZ LYS 57 3HZ LYS 57 -24.706 -5.173 -2.846 461 H LEU 58 H LEU 58 -20.025 -0.202 -3.871 462 HA LEU 58 HA LEU 58 -20.076 0.174 -0.987 463 1HB LEU 58 2HB LEU 58 -19.592 2.164 -3.198 464 2HB LEU 58 1HB LEU 58 -19.437 2.481 -1.493 465 HG LEU 58 HG LEU 58 -17.622 0.642 -1.515 466 1HD1 LEU 58 1HD1 LEU 58 -16.436 0.425 -3.650 467 2HD1 LEU 58 2HD1 LEU 58 -17.715 1.340 -4.448 468 3HD1 LEU 58 3HD1 LEU 58 -18.068 -0.234 -3.738 469 1HD2 LEU 58 1HD2 LEU 58 -17.152 3.284 -2.883 470 2HD2 LEU 58 2HD2 LEU 58 -15.917 2.277 -2.124 471 3HD2 LEU 58 3HD2 LEU 58 -17.185 3.010 -1.141 472 H GLU 59 H GLU 59 -21.386 1.906 -0.095 473 HA GLU 59 HA GLU 59 -23.635 2.904 -1.552 474 1HB GLU 59 2HB GLU 59 -24.359 0.577 -1.110 475 2HB GLU 59 1HB GLU 59 -24.143 0.854 0.612 476 1HG GLU 59 2HG GLU 59 -25.889 2.532 0.590 477 2HG GLU 59 1HG GLU 59 -26.065 2.351 -1.154 478 H HIS 60 H HIS 60 -23.251 4.921 -0.845 479 HA HIS 60 HA HIS 60 -23.664 5.420 2.019 480 1HB HIS 60 2HB HIS 60 -21.396 6.438 0.322 481 2HB HIS 60 1HB HIS 60 -21.958 7.353 1.713 482 HD1 HIS 60 HD1 HIS 60 -21.312 6.509 4.022 483 HD2 HIS 60 HD2 HIS 60 -20.073 4.014 0.934 484 HE1 HIS 60 HE1 HIS 60 -19.690 4.893 5.065 485 HE2 HIS 60 HE2 HIS 60 -18.879 3.448 3.163 Start of MODEL 7 1 1H MET 1 1H MET 1 25.617 0.864 10.638 2 2H MET 1 2H MET 1 24.472 1.260 11.827 3 3H MET 1 3H MET 1 24.157 1.603 10.199 4 HA MET 1 HA MET 1 23.970 -0.656 9.635 5 1HB MET 1 2HB MET 1 25.793 -1.444 11.135 6 2HB MET 1 1HB MET 1 24.703 -1.270 12.506 7 1HG MET 1 2HG MET 1 23.175 -2.902 11.418 8 2HG MET 1 1HG MET 1 24.405 -3.152 10.179 9 1HE MET 1 1HE MET 1 24.772 -4.345 14.615 10 2HE MET 1 2HE MET 1 23.300 -3.743 13.850 11 3HE MET 1 3HE MET 1 24.668 -2.660 14.105 12 H LYS 2 H LYS 2 21.901 -1.227 9.490 13 HA LYS 2 HA LYS 2 20.149 -0.712 11.805 14 1HB LYS 2 2HB LYS 2 19.484 -0.456 8.865 15 2HB LYS 2 1HB LYS 2 18.284 -0.430 10.144 16 1HG LYS 2 2HG LYS 2 18.615 1.806 9.608 17 2HG LYS 2 1HG LYS 2 19.574 1.573 11.069 18 1HD LYS 2 2HD LYS 2 21.598 1.460 9.798 19 2HD LYS 2 1HD LYS 2 20.700 1.432 8.277 20 1HE LYS 2 2HE LYS 2 20.692 3.715 10.248 21 2HE LYS 2 1HE LYS 2 21.691 3.643 8.796 22 1HZ LYS 2 1HZ LYS 2 19.647 4.937 8.482 23 2HZ LYS 2 2HZ LYS 2 18.718 3.554 8.811 24 3HZ LYS 2 3HZ LYS 2 19.720 3.598 7.441 25 H ARG 3 H ARG 3 18.424 -2.230 12.089 26 HA ARG 3 HA ARG 3 19.040 -4.861 10.945 27 1HB ARG 3 2HB ARG 3 17.349 -4.061 13.320 28 2HB ARG 3 1HB ARG 3 17.483 -5.708 12.724 29 1HG ARG 3 2HG ARG 3 19.890 -5.665 13.184 30 2HG ARG 3 1HG ARG 3 19.720 -4.026 13.823 31 1HD ARG 3 2HD ARG 3 19.733 -5.704 15.617 32 2HD ARG 3 1HD ARG 3 18.202 -4.834 15.542 33 HE ARG 3 HE ARG 3 18.614 -7.573 14.507 34 1HH1 ARG 3 1HH1 ARG 3 16.579 -5.120 15.992 35 2HH1 ARG 3 2HH1 ARG 3 15.211 -6.183 16.137 36 1HH2 ARG 3 1HH2 ARG 3 16.799 -8.948 14.707 37 2HH2 ARG 3 2HH2 ARG 3 15.326 -8.335 15.394 38 H GLN 4 H GLN 4 16.160 -2.980 11.821 39 HA GLN 4 HA GLN 4 14.565 -4.635 10.070 40 1HB GLN 4 2HB GLN 4 12.664 -3.263 10.998 41 2HB GLN 4 1HB GLN 4 13.557 -4.232 12.160 42 1HG GLN 4 2HG GLN 4 14.836 -2.187 12.774 43 2HG GLN 4 1HG GLN 4 13.771 -1.265 11.716 44 1HE2 GLN 4 1HE2 GLN 4 11.442 -2.928 12.416 45 2HE2 GLN 4 2HE2 GLN 4 10.966 -2.428 14.002 46 H LYS 5 H LYS 5 15.451 -3.989 8.087 47 HA LYS 5 HA LYS 5 14.806 -1.281 7.194 48 1HB LYS 5 2HB LYS 5 16.023 -2.079 5.083 49 2HB LYS 5 1HB LYS 5 16.985 -1.841 6.535 50 1HG LYS 5 2HG LYS 5 16.974 -4.235 6.960 51 2HG LYS 5 1HG LYS 5 15.966 -4.495 5.535 52 1HD LYS 5 2HD LYS 5 18.703 -3.232 5.471 53 2HD LYS 5 1HD LYS 5 18.394 -4.941 5.164 54 1HE LYS 5 2HE LYS 5 16.976 -4.360 3.272 55 2HE LYS 5 1HE LYS 5 17.224 -2.646 3.592 56 1HZ LYS 5 1HZ LYS 5 18.630 -3.590 1.790 57 2HZ LYS 5 2HZ LYS 5 19.430 -4.530 2.953 58 3HZ LYS 5 3HZ LYS 5 19.513 -2.839 3.029 59 H ARG 6 H ARG 6 14.233 -4.660 6.295 60 HA ARG 6 HA ARG 6 12.157 -3.833 4.412 61 1HB ARG 6 2HB ARG 6 13.839 -5.605 3.830 62 2HB ARG 6 1HB ARG 6 13.113 -6.626 5.064 63 1HG ARG 6 2HG ARG 6 10.998 -6.603 3.857 64 2HG ARG 6 1HG ARG 6 11.701 -5.541 2.634 65 1HD ARG 6 2HD ARG 6 12.466 -8.382 3.266 66 2HD ARG 6 1HD ARG 6 11.745 -7.767 1.780 67 HE ARG 6 HE ARG 6 14.507 -7.252 2.681 68 1HH1 ARG 6 1HH1 ARG 6 12.085 -7.330 0.146 69 2HH1 ARG 6 2HH1 ARG 6 13.242 -7.137 -1.137 70 1HH2 ARG 6 1HH2 ARG 6 16.026 -7.014 0.991 71 2HH2 ARG 6 2HH2 ARG 6 15.485 -6.985 -0.657 72 H ASP 7 H ASP 7 12.521 -4.859 7.620 73 HA ASP 7 HA ASP 7 10.184 -6.244 8.171 74 1HB ASP 7 2HB ASP 7 11.639 -4.213 9.871 75 2HB ASP 7 1HB ASP 7 10.356 -5.261 10.467 76 H ARG 8 H ARG 8 10.712 -2.728 8.087 77 HA ARG 8 HA ARG 8 7.931 -2.220 8.649 78 1HB ARG 8 2HB ARG 8 8.464 0.112 8.580 79 2HB ARG 8 1HB ARG 8 9.733 -0.713 9.470 80 1HG ARG 8 2HG ARG 8 11.206 -0.583 7.555 81 2HG ARG 8 1HG ARG 8 9.920 0.159 6.595 82 1HD ARG 8 2HD ARG 8 9.840 2.011 8.250 83 2HD ARG 8 1HD ARG 8 11.229 1.296 9.060 84 HE ARG 8 HE ARG 8 11.979 1.645 6.417 85 1HH1 ARG 8 1HH1 ARG 8 10.915 3.672 9.083 86 2HH1 ARG 8 2HH1 ARG 8 11.816 5.065 8.544 87 1HH2 ARG 8 1HH2 ARG 8 13.168 3.493 5.727 88 2HH2 ARG 8 2HH2 ARG 8 13.086 4.957 6.653 89 H LEU 9 H LEU 9 9.617 -3.079 5.916 90 HA LEU 9 HA LEU 9 7.914 -1.649 4.051 91 1HB LEU 9 2HB LEU 9 10.109 -3.678 3.724 92 2HB LEU 9 1HB LEU 9 9.124 -3.147 2.372 93 HG LEU 9 HG LEU 9 10.801 -1.310 4.084 94 1HD1 LEU 9 1HD1 LEU 9 12.301 -1.212 2.148 95 2HD1 LEU 9 2HD1 LEU 9 11.338 -2.450 1.341 96 3HD1 LEU 9 3HD1 LEU 9 12.216 -2.838 2.821 97 1HD2 LEU 9 1HD2 LEU 9 8.905 -0.193 3.102 98 2HD2 LEU 9 2HD2 LEU 9 9.273 -0.887 1.523 99 3HD2 LEU 9 3HD2 LEU 9 10.374 0.287 2.251 100 H GLU 10 H GLU 10 8.407 -4.947 5.234 101 HA GLU 10 HA GLU 10 6.213 -6.134 3.916 102 1HB GLU 10 2HB GLU 10 7.975 -7.423 5.051 103 2HB GLU 10 1HB GLU 10 7.451 -6.787 6.603 104 1HG GLU 10 2HG GLU 10 5.294 -7.912 6.317 105 2HG GLU 10 1HG GLU 10 5.852 -8.565 4.776 106 H ARG 11 H ARG 11 6.553 -4.157 6.714 107 HA ARG 11 HA ARG 11 3.899 -4.492 7.741 108 1HB ARG 11 2HB ARG 11 6.276 -3.417 8.684 109 2HB ARG 11 1HB ARG 11 5.278 -1.999 8.409 110 1HG ARG 11 2HG ARG 11 5.091 -2.765 10.690 111 2HG ARG 11 1HG ARG 11 3.550 -2.927 9.849 112 1HD ARG 11 2HD ARG 11 4.209 -4.873 11.308 113 2HD ARG 11 1HD ARG 11 3.800 -5.270 9.641 114 HE ARG 11 HE ARG 11 6.116 -5.626 9.199 115 1HH1 ARG 11 1HH1 ARG 11 5.445 -4.988 12.573 116 2HH1 ARG 11 2HH1 ARG 11 6.851 -5.845 13.145 117 1HH2 ARG 11 1HH2 ARG 11 7.983 -6.730 9.938 118 2HH2 ARG 11 2HH2 ARG 11 8.297 -6.815 11.645 119 H ALA 12 H ALA 12 5.632 -2.175 5.742 120 HA ALA 12 HA ALA 12 3.548 -0.344 5.321 121 1HB ALA 12 1HB ALA 12 5.962 0.029 4.786 122 2HB ALA 12 2HB ALA 12 4.845 0.501 3.508 123 3HB ALA 12 3HB ALA 12 5.748 -1.008 3.373 124 H GLN 13 H GLN 13 4.211 -3.479 3.981 125 HA GLN 13 HA GLN 13 2.598 -3.281 1.665 126 1HB GLN 13 2HB GLN 13 4.177 -5.124 1.989 127 2HB GLN 13 1HB GLN 13 3.232 -5.709 3.354 128 1HG GLN 13 2HG GLN 13 1.340 -6.113 1.841 129 2HG GLN 13 1HG GLN 13 2.329 -5.576 0.485 130 1HE2 GLN 13 1HE2 GLN 13 3.994 -6.870 -0.240 131 2HE2 GLN 13 2HE2 GLN 13 4.114 -8.546 0.179 132 H SER 14 H SER 14 1.884 -4.488 4.934 133 HA SER 14 HA SER 14 -0.877 -4.907 4.482 134 1HB SER 14 2HB SER 14 0.476 -4.304 7.120 135 2HB SER 14 1HB SER 14 -1.031 -5.184 6.871 136 HG SER 14 HG SER 14 1.408 -6.176 6.975 137 H GLN 15 H GLN 15 1.008 -2.179 5.659 138 HA GLN 15 HA GLN 15 -1.156 -0.528 6.395 139 1HB GLN 15 2HB GLN 15 1.233 -0.181 7.048 140 2HB GLN 15 1HB GLN 15 1.567 0.329 5.400 141 1HG GLN 15 2HG GLN 15 1.331 2.282 6.705 142 2HG GLN 15 1HG GLN 15 -0.114 2.148 5.706 143 1HE2 GLN 15 1HE2 GLN 15 0.380 3.550 8.249 144 2HE2 GLN 15 2HE2 GLN 15 -0.829 2.974 9.339 145 H GLY 16 H GLY 16 0.594 -0.956 3.357 146 1HA GLY 16 2HA GLY 16 -0.733 1.087 1.913 147 2HA GLY 16 1HA GLY 16 0.125 -0.281 1.215 148 H TYR 17 H TYR 17 -1.389 -2.355 2.352 149 HA TYR 17 HA TYR 17 -3.598 -2.614 0.665 150 1HB TYR 17 2HB TYR 17 -2.276 -4.302 2.256 151 2HB TYR 17 1HB TYR 17 -3.619 -3.949 3.335 152 HD1 TYR 17 HD2 TYR 17 -5.980 -4.446 2.525 153 HD2 TYR 17 HD1 TYR 17 -2.502 -5.811 0.484 154 HE1 TYR 17 HE2 TYR 17 -7.323 -6.170 1.391 155 HE2 TYR 17 HE1 TYR 17 -3.834 -7.535 -0.650 156 HH TYR 17 HH TYR 17 -7.128 -7.535 -0.815 157 H LYS 18 H LYS 18 -3.401 -1.716 4.082 158 HA LYS 18 HA LYS 18 -6.109 -1.093 4.518 159 1HB LYS 18 2HB LYS 18 -4.390 -1.416 6.274 160 2HB LYS 18 1HB LYS 18 -3.638 0.095 5.810 161 1HG LYS 18 2HG LYS 18 -5.841 1.192 6.394 162 2HG LYS 18 1HG LYS 18 -6.291 -0.348 7.133 163 1HD LYS 18 2HD LYS 18 -4.041 -0.161 8.369 164 2HD LYS 18 1HD LYS 18 -4.081 1.535 7.892 165 1HE LYS 18 2HE LYS 18 -4.994 1.433 10.067 166 2HE LYS 18 1HE LYS 18 -6.360 1.659 8.974 167 1HZ LYS 18 1HZ LYS 18 -5.501 -0.990 10.009 168 2HZ LYS 18 2HZ LYS 18 -6.930 -0.631 9.170 169 3HZ LYS 18 3HZ LYS 18 -6.698 -0.040 10.742 170 H ALA 19 H ALA 19 -3.437 0.769 3.201 171 HA ALA 19 HA ALA 19 -4.743 3.289 3.263 172 1HB ALA 19 1HB ALA 19 -2.303 3.077 3.146 173 2HB ALA 19 2HB ALA 19 -2.940 4.059 1.827 174 3HB ALA 19 3HB ALA 19 -2.448 2.390 1.529 175 H GLY 20 H GLY 20 -4.834 0.594 1.070 176 1HA GLY 20 2HA GLY 20 -6.000 1.994 -1.128 177 2HA GLY 20 1HA GLY 20 -6.072 0.264 -0.837 178 H LEU 21 H LEU 21 -7.234 0.435 1.735 179 HA LEU 21 HA LEU 21 -10.009 0.816 1.046 180 1HB LEU 21 2HB LEU 21 -8.560 -0.103 3.524 181 2HB LEU 21 1HB LEU 21 -10.280 0.205 3.540 182 HG LEU 21 HG LEU 21 -9.801 -2.177 3.321 183 1HD1 LEU 21 1HD1 LEU 21 -11.832 -1.343 2.345 184 2HD1 LEU 21 2HD1 LEU 21 -11.171 -2.638 1.346 185 3HD1 LEU 21 3HD1 LEU 21 -10.987 -0.957 0.847 186 1HD2 LEU 21 1HD2 LEU 21 -7.660 -2.074 2.167 187 2HD2 LEU 21 2HD2 LEU 21 -8.456 -1.450 0.722 188 3HD2 LEU 21 3HD2 LEU 21 -8.802 -3.085 1.284 189 H ASN 22 H ASN 22 -7.857 2.046 3.567 190 HA ASN 22 HA ASN 22 -9.795 4.135 4.226 191 1HB ASN 22 2HB ASN 22 -7.521 2.825 5.687 192 2HB ASN 22 1HB ASN 22 -8.231 4.334 6.253 193 1HD2 ASN 22 1HD2 ASN 22 -8.173 1.716 7.512 194 2HD2 ASN 22 2HD2 ASN 22 -9.819 1.274 7.797 195 H GLY 23 H GLY 23 -6.543 3.709 3.002 196 1HA GLY 23 2HA GLY 23 -5.560 6.244 3.934 197 2HA GLY 23 1HA GLY 23 -4.763 5.182 2.784 198 H ARG 24 H ARG 24 -7.366 5.219 1.246 199 HA ARG 24 HA ARG 24 -8.328 6.296 -0.497 200 1HB ARG 24 2HB ARG 24 -8.934 8.069 0.982 201 2HB ARG 24 1HB ARG 24 -7.309 8.738 0.939 202 1HG ARG 24 2HG ARG 24 -7.628 9.283 -1.444 203 2HG ARG 24 1HG ARG 24 -9.278 8.667 -1.341 204 1HD ARG 24 2HD ARG 24 -9.119 11.137 -1.143 205 2HD ARG 24 1HD ARG 24 -9.876 10.361 0.248 206 HE ARG 24 HE ARG 24 -7.356 10.521 1.074 207 1HH1 ARG 24 1HH1 ARG 24 -9.324 12.952 -0.520 208 2HH1 ARG 24 2HH1 ARG 24 -8.559 14.275 0.313 209 1HH2 ARG 24 1HH2 ARG 24 -6.366 12.241 2.143 210 2HH2 ARG 24 2HH2 ARG 24 -6.890 13.870 1.838 211 H SER 25 H SER 25 -5.139 7.775 0.112 212 HA SER 25 HA SER 25 -4.624 7.576 -2.783 213 1HB SER 25 2HB SER 25 -3.965 9.910 -0.979 214 2HB SER 25 1HB SER 25 -3.499 9.770 -2.669 215 HG SER 25 HG SER 25 -5.536 10.978 -2.048 216 H GLN 26 H GLN 26 -2.238 8.057 -3.253 217 HA GLN 26 HA GLN 26 -0.605 6.232 -1.721 218 1HB GLN 26 2HB GLN 26 0.364 8.059 -3.903 219 2HB GLN 26 1HB GLN 26 0.999 6.493 -3.433 220 1HG GLN 26 2HG GLN 26 -0.913 5.377 -4.356 221 2HG GLN 26 1HG GLN 26 -1.686 6.919 -4.708 222 1HE2 GLN 26 1HE2 GLN 26 0.838 8.136 -5.588 223 2HE2 GLN 26 2HE2 GLN 26 1.147 7.481 -7.156 224 H GLU 27 H GLU 27 -1.307 9.531 -1.722 225 HA GLU 27 HA GLU 27 1.039 10.728 -0.818 226 1HB GLU 27 2HB GLU 27 -0.977 11.916 -1.603 227 2HB GLU 27 1HB GLU 27 -1.836 11.411 -0.161 228 1HG GLU 27 2HG GLU 27 0.673 12.932 0.224 229 2HG GLU 27 1HG GLU 27 -0.719 13.803 -0.419 230 H ALA 28 H ALA 28 -0.999 8.492 0.714 231 HA ALA 28 HA ALA 28 -0.435 9.317 3.431 232 1HB ALA 28 1HB ALA 28 -1.889 6.888 2.396 233 2HB ALA 28 2HB ALA 28 -2.637 8.433 2.801 234 3HB ALA 28 3HB ALA 28 -1.869 7.466 4.063 235 H CYS 29 H CYS 29 1.796 8.399 1.654 236 HA CYS 29 HA CYS 29 2.665 6.014 3.140 237 1HB CYS 29 2HB CYS 29 2.729 5.763 0.709 238 2HB CYS 29 1HB CYS 29 3.744 7.195 0.568 239 HG CYS 29 HG CYS 29 5.988 5.978 0.796 240 HA PRO 30 HA PRO 30 5.399 9.119 5.028 241 1HB PRO 30 2HB PRO 30 4.948 8.529 7.562 242 2HB PRO 30 1HB PRO 30 3.689 9.321 6.602 243 1HG PRO 30 2HG PRO 30 3.940 6.445 7.399 244 2HG PRO 30 1HG PRO 30 2.492 7.464 7.335 245 1HD PRO 30 2HD PRO 30 3.320 5.668 5.349 246 2HD PRO 30 1HD PRO 30 2.125 6.962 5.150 247 H TYR 31 H TYR 31 6.020 6.098 4.241 248 HA TYR 31 HA TYR 31 7.905 5.498 6.409 249 1HB TYR 31 2HB TYR 31 6.896 3.742 4.167 250 2HB TYR 31 1HB TYR 31 8.036 3.233 5.408 251 HD1 TYR 31 HD2 TYR 31 7.184 3.619 7.884 252 HD2 TYR 31 HD1 TYR 31 4.665 3.283 4.475 253 HE1 TYR 31 HE2 TYR 31 5.312 2.973 9.341 254 HE2 TYR 31 HE1 TYR 31 2.787 2.635 5.919 255 HH TYR 31 HH TYR 31 2.689 3.144 9.132 256 H GLN 32 H GLN 32 8.165 4.495 3.056 257 HA GLN 32 HA GLN 32 10.817 5.767 2.906 258 1HB GLN 32 2HB GLN 32 10.813 3.245 3.334 259 2HB GLN 32 1HB GLN 32 10.104 3.065 1.738 260 1HG GLN 32 2HG GLN 32 12.472 2.644 1.659 261 2HG GLN 32 1HG GLN 32 12.093 4.100 0.747 262 1HE2 GLN 32 1HE2 GLN 32 14.168 4.908 0.913 263 2HE2 GLN 32 2HE2 GLN 32 14.815 5.513 2.404 264 H GLN 33 H GLN 33 11.493 5.670 0.388 265 HA GLN 33 HA GLN 33 9.165 6.631 -1.060 266 1HB GLN 33 2HB GLN 33 12.095 6.933 -1.666 267 2HB GLN 33 1HB GLN 33 10.777 7.652 -2.571 268 1HG GLN 33 2HG GLN 33 10.099 8.910 -0.573 269 2HG GLN 33 1HG GLN 33 11.467 8.220 0.296 270 1HE2 GLN 33 1HE2 GLN 33 10.834 10.985 -0.242 271 2HE2 GLN 33 2HE2 GLN 33 12.187 11.640 -1.100 272 H VAL 34 H VAL 34 12.135 5.030 -2.202 273 HA VAL 34 HA VAL 34 10.746 3.882 -4.414 274 HB VAL 34 HB VAL 34 13.507 3.252 -3.346 275 1HG1 VAL 34 1HG1 VAL 34 12.274 2.656 -6.035 276 2HG1 VAL 34 2HG1 VAL 34 12.675 1.476 -4.786 277 3HG1 VAL 34 3HG1 VAL 34 13.958 2.378 -5.590 278 1HG2 VAL 34 1HG2 VAL 34 13.277 5.598 -3.933 279 2HG2 VAL 34 2HG2 VAL 34 12.623 5.156 -5.512 280 3HG2 VAL 34 3HG2 VAL 34 14.296 4.766 -5.108 281 H ASP 35 H ASP 35 12.199 2.545 -1.489 282 HA ASP 35 HA ASP 35 11.579 -0.158 -1.944 283 1HB ASP 35 2HB ASP 35 11.800 1.221 0.743 284 2HB ASP 35 1HB ASP 35 12.037 -0.489 0.415 285 H ALA 36 H ALA 36 9.915 2.403 -0.216 286 HA ALA 36 HA ALA 36 7.761 0.856 0.733 287 1HB ALA 36 1HB ALA 36 8.265 2.926 1.786 288 2HB ALA 36 2HB ALA 36 6.661 3.073 1.060 289 3HB ALA 36 3HB ALA 36 8.061 3.816 0.271 290 H ARG 37 H ARG 37 8.319 2.571 -2.297 291 HA ARG 37 HA ARG 37 5.679 2.525 -3.225 292 1HB ARG 37 2HB ARG 37 7.494 3.772 -4.342 293 2HB ARG 37 1HB ARG 37 8.212 2.250 -4.853 294 1HG ARG 37 2HG ARG 37 6.250 1.748 -6.192 295 2HG ARG 37 1HG ARG 37 5.479 3.238 -5.643 296 1HD ARG 37 2HD ARG 37 7.273 4.540 -6.677 297 2HD ARG 37 1HD ARG 37 8.040 3.049 -7.223 298 HE ARG 37 HE ARG 37 5.313 3.338 -8.105 299 1HH1 ARG 37 1HH1 ARG 37 8.667 4.076 -8.809 300 2HH1 ARG 37 2HH1 ARG 37 8.387 4.334 -10.506 301 1HH2 ARG 37 1HH2 ARG 37 4.957 3.609 -10.348 302 2HH2 ARG 37 2HH2 ARG 37 6.287 4.039 -11.383 303 H SER 38 H SER 38 8.291 0.131 -3.587 304 HA SER 38 HA SER 38 6.755 -1.617 -5.196 305 1HB SER 38 2HB SER 38 8.596 -3.273 -4.654 306 2HB SER 38 1HB SER 38 9.125 -1.760 -5.383 307 HG SER 38 HG SER 38 9.077 -1.570 -2.679 308 H TYR 39 H TYR 39 7.054 -1.207 -1.752 309 HA TYR 39 HA TYR 39 5.657 -3.728 -1.328 310 1HB TYR 39 2HB TYR 39 7.289 -1.980 0.445 311 2HB TYR 39 1HB TYR 39 6.094 -3.049 1.169 312 HD1 TYR 39 HD1 TYR 39 6.309 -5.479 0.957 313 HD2 TYR 39 HD2 TYR 39 9.314 -2.862 -0.535 314 HE1 TYR 39 HE1 TYR 39 7.872 -7.368 0.815 315 HE2 TYR 39 HE2 TYR 39 10.886 -4.749 -0.683 316 HH TYR 39 HH TYR 39 9.910 -7.972 -0.482 317 H TRP 40 H TRP 40 5.450 -0.457 0.018 318 HA TRP 40 HA TRP 40 2.898 -0.754 1.143 319 1HB TRP 40 2HB TRP 40 4.544 0.976 1.794 320 2HB TRP 40 1HB TRP 40 4.303 1.769 0.247 321 HD1 TRP 40 HD1 TRP 40 2.720 1.345 3.678 322 HE1 TRP 40 HE1 TRP 40 0.796 3.036 3.926 323 HE3 TRP 40 HE3 TRP 40 2.498 3.050 -1.139 324 HZ2 TRP 40 HZ2 TRP 40 -0.619 4.843 2.309 325 HZ3 TRP 40 HZ3 TRP 40 0.825 4.762 -1.703 326 HH2 TRP 40 HH2 TRP 40 -0.703 5.638 -0.016 327 H LEU 41 H LEU 41 3.928 0.695 -1.967 328 HA LEU 41 HA LEU 41 1.193 1.394 -2.593 329 1HB LEU 41 2HB LEU 41 3.536 2.502 -3.294 330 2HB LEU 41 1HB LEU 41 3.308 1.459 -4.681 331 HG LEU 41 HG LEU 41 1.182 3.402 -3.803 332 1HD1 LEU 41 1HD1 LEU 41 3.471 3.887 -5.702 333 2HD1 LEU 41 2HD1 LEU 41 3.194 4.695 -4.160 334 3HD1 LEU 41 3HD1 LEU 41 2.075 4.946 -5.499 335 1HD2 LEU 41 1HD2 LEU 41 0.491 1.643 -5.350 336 2HD2 LEU 41 2HD2 LEU 41 1.795 2.090 -6.450 337 3HD2 LEU 41 3HD2 LEU 41 0.481 3.222 -6.136 338 H GLY 42 H GLY 42 3.378 -1.217 -3.148 339 1HA GLY 42 2HA GLY 42 2.065 -2.496 -5.289 340 2HA GLY 42 1HA GLY 42 3.042 -3.297 -4.063 341 H GLY 43 H GLY 43 1.628 -2.748 -1.775 342 1HA GLY 43 2HA GLY 43 -0.592 -4.538 -1.942 343 2HA GLY 43 1HA GLY 43 -0.121 -3.597 -0.532 344 H TRP 44 H TRP 44 -0.251 -1.046 -1.753 345 HA TRP 44 HA TRP 44 -2.925 -0.320 -1.432 346 1HB TRP 44 2HB TRP 44 -0.967 1.226 -1.308 347 2HB TRP 44 1HB TRP 44 -0.815 1.125 -3.057 348 HD1 TRP 44 HD1 TRP 44 -2.992 2.652 -0.323 349 HE1 TRP 44 HE1 TRP 44 -4.472 4.484 -1.355 350 HE3 TRP 44 HE3 TRP 44 -1.926 1.864 -5.257 351 HZ2 TRP 44 HZ2 TRP 44 -5.098 5.476 -3.926 352 HZ3 TRP 44 HZ3 TRP 44 -3.005 3.300 -6.938 353 HH2 TRP 44 HH2 TRP 44 -4.557 5.067 -6.287 354 H ARG 45 H ARG 45 -1.036 -0.752 -4.405 355 HA ARG 45 HA ARG 45 -3.111 -0.238 -6.219 356 1HB ARG 45 2HB ARG 45 -0.376 -1.124 -6.314 357 2HB ARG 45 1HB ARG 45 -1.349 -2.078 -7.426 358 1HG ARG 45 2HG ARG 45 -1.415 0.924 -7.375 359 2HG ARG 45 1HG ARG 45 -0.286 0.004 -8.370 360 1HD ARG 45 2HD ARG 45 -3.231 -0.542 -8.490 361 2HD ARG 45 1HD ARG 45 -2.521 0.785 -9.411 362 HE ARG 45 HE ARG 45 -1.098 -0.901 -10.501 363 1HH1 ARG 45 1HH1 ARG 45 -3.960 -2.063 -8.849 364 2HH1 ARG 45 2HH1 ARG 45 -4.165 -3.424 -9.904 365 1HH2 ARG 45 1HH2 ARG 45 -1.382 -2.682 -11.899 366 2HH2 ARG 45 2HH2 ARG 45 -2.704 -3.784 -11.627 367 H ASP 46 H ASP 46 -2.133 -3.170 -4.573 368 HA ASP 46 HA ASP 46 -3.668 -4.989 -6.108 369 1HB ASP 46 2HB ASP 46 -1.781 -5.573 -4.530 370 2HB ASP 46 1HB ASP 46 -2.891 -5.275 -3.199 371 H ALA 47 H ALA 47 -4.262 -3.551 -2.907 372 HA ALA 47 HA ALA 47 -6.843 -4.620 -2.571 373 1HB ALA 47 1HB ALA 47 -5.482 -3.796 -0.716 374 2HB ALA 47 2HB ALA 47 -7.071 -3.030 -0.742 375 3HB ALA 47 3HB ALA 47 -5.658 -2.146 -1.321 376 H ARG 48 H ARG 48 -5.749 -1.490 -3.836 377 HA ARG 48 HA ARG 48 -8.288 -0.312 -4.066 378 1HB ARG 48 2HB ARG 48 -5.968 0.778 -4.309 379 2HB ARG 48 1HB ARG 48 -6.032 0.234 -5.980 380 1HG ARG 48 2HG ARG 48 -6.748 2.533 -5.820 381 2HG ARG 48 1HG ARG 48 -8.103 1.510 -6.301 382 1HD ARG 48 2HD ARG 48 -8.904 1.489 -3.989 383 2HD ARG 48 1HD ARG 48 -7.547 2.499 -3.506 384 HE ARG 48 HE ARG 48 -8.996 3.775 -5.569 385 1HH1 ARG 48 1HH1 ARG 48 -9.264 2.920 -2.177 386 2HH1 ARG 48 2HH1 ARG 48 -10.327 4.240 -1.795 387 1HH2 ARG 48 1HH2 ARG 48 -10.352 5.551 -5.060 388 2HH2 ARG 48 2HH2 ARG 48 -10.897 5.767 -3.427 389 H ASP 49 H ASP 49 -6.389 -2.229 -6.362 390 HA ASP 49 HA ASP 49 -8.337 -2.057 -8.443 391 1HB ASP 49 2HB ASP 49 -5.991 -2.385 -8.970 392 2HB ASP 49 1HB ASP 49 -5.981 -3.910 -8.091 393 H GLU 50 H GLU 50 -8.133 -3.839 -5.618 394 HA GLU 50 HA GLU 50 -9.388 -6.258 -6.539 395 1HB GLU 50 2HB GLU 50 -7.848 -6.194 -4.574 396 2HB GLU 50 1HB GLU 50 -9.044 -5.237 -3.711 397 1HG GLU 50 2HG GLU 50 -10.647 -7.150 -4.080 398 2HG GLU 50 1HG GLU 50 -9.253 -8.088 -4.613 399 H LYS 51 H LYS 51 -10.279 -3.227 -5.055 400 HA LYS 51 HA LYS 51 -13.081 -4.025 -4.828 401 1HB LYS 51 2HB LYS 51 -11.915 -1.266 -4.391 402 2HB LYS 51 1HB LYS 51 -13.465 -1.876 -3.826 403 1HG LYS 51 2HG LYS 51 -12.133 -3.550 -2.461 404 2HG LYS 51 1HG LYS 51 -10.721 -2.559 -2.831 405 1HD LYS 51 2HD LYS 51 -11.563 -1.850 -0.718 406 2HD LYS 51 1HD LYS 51 -11.963 -0.599 -1.895 407 1HE LYS 51 2HE LYS 51 -13.855 -1.028 -0.427 408 2HE LYS 51 1HE LYS 51 -14.233 -1.499 -2.084 409 1HZ LYS 51 1HZ LYS 51 -13.436 -3.340 0.110 410 2HZ LYS 51 2HZ LYS 51 -13.763 -3.807 -1.482 411 3HZ LYS 51 3HZ LYS 51 -14.998 -3.158 -0.519 412 H GLN 52 H GLN 52 -10.856 -2.704 -6.949 413 HA GLN 52 HA GLN 52 -12.715 -1.247 -8.620 414 1HB GLN 52 2HB GLN 52 -10.323 -0.686 -8.427 415 2HB GLN 52 1HB GLN 52 -9.915 -2.237 -9.137 416 1HG GLN 52 2HG GLN 52 -10.777 -1.617 -11.246 417 2HG GLN 52 1HG GLN 52 -11.571 -0.188 -10.578 418 1HE2 GLN 52 1HE2 GLN 52 -8.491 -1.612 -11.446 419 2HE2 GLN 52 2HE2 GLN 52 -7.611 -0.122 -11.525 420 H SER 53 H SER 53 -11.687 -4.482 -8.223 421 HA SER 53 HA SER 53 -12.579 -5.383 -10.820 422 1HB SER 53 2HB SER 53 -11.640 -6.917 -8.385 423 2HB SER 53 1HB SER 53 -12.016 -7.643 -9.947 424 HG SER 53 HG SER 53 -9.982 -5.729 -9.386 425 H GLY 54 H GLY 54 -14.237 -4.273 -8.316 426 1HA GLY 54 2HA GLY 54 -16.136 -6.203 -7.614 427 2HA GLY 54 1HA GLY 54 -16.422 -4.465 -7.630 428 H LEU 55 H LEU 55 -15.844 -4.241 -10.481 429 HA LEU 55 HA LEU 55 -18.293 -5.427 -11.565 430 1HB LEU 55 2HB LEU 55 -16.505 -3.286 -12.724 431 2HB LEU 55 1HB LEU 55 -18.004 -3.861 -13.431 432 HG LEU 55 HG LEU 55 -17.816 -2.498 -10.746 433 1HD1 LEU 55 1HD1 LEU 55 -18.740 -0.538 -11.878 434 2HD1 LEU 55 2HD1 LEU 55 -18.597 -1.368 -13.428 435 3HD1 LEU 55 3HD1 LEU 55 -17.148 -0.967 -12.504 436 1HD2 LEU 55 1HD2 LEU 55 -19.749 -3.971 -11.000 437 2HD2 LEU 55 2HD2 LEU 55 -20.186 -3.146 -12.497 438 3HD2 LEU 55 3HD2 LEU 55 -20.233 -2.275 -10.966 439 H TYR 56 H TYR 56 -16.808 -7.411 -11.283 440 HA TYR 56 HA TYR 56 -14.711 -7.794 -13.166 441 1HB TYR 56 2HB TYR 56 -14.739 -10.121 -12.356 442 2HB TYR 56 1HB TYR 56 -14.725 -8.966 -11.029 443 HD1 TYR 56 HD1 TYR 56 -16.811 -8.565 -9.732 444 HD2 TYR 56 HD2 TYR 56 -16.541 -11.655 -12.644 445 HE1 TYR 56 HE1 TYR 56 -18.809 -9.630 -8.777 446 HE2 TYR 56 HE2 TYR 56 -18.540 -12.730 -11.698 447 HH TYR 56 HH TYR 56 -20.597 -11.155 -9.499 448 H LYS 57 H LYS 57 -17.945 -7.590 -13.712 449 HA LYS 57 HA LYS 57 -17.833 -8.971 -16.209 450 1HB LYS 57 2HB LYS 57 -18.122 -10.843 -14.521 451 2HB LYS 57 1HB LYS 57 -19.702 -10.165 -14.159 452 1HG LYS 57 2HG LYS 57 -19.909 -12.009 -15.701 453 2HG LYS 57 1HG LYS 57 -20.370 -10.501 -16.498 454 1HD LYS 57 2HD LYS 57 -18.265 -10.391 -17.633 455 2HD LYS 57 1HD LYS 57 -17.638 -11.755 -16.705 456 1HE LYS 57 2HE LYS 57 -19.352 -13.198 -17.728 457 2HE LYS 57 1HE LYS 57 -19.903 -11.832 -18.695 458 1HZ LYS 57 1HZ LYS 57 -18.305 -13.432 -19.789 459 2HZ LYS 57 2HZ LYS 57 -17.102 -12.790 -18.782 460 3HZ LYS 57 3HZ LYS 57 -17.905 -11.789 -19.891 461 H LEU 58 H LEU 58 -20.201 -8.011 -13.708 462 HA LEU 58 HA LEU 58 -22.220 -7.370 -15.565 463 1HB LEU 58 2HB LEU 58 -21.890 -6.513 -12.701 464 2HB LEU 58 1HB LEU 58 -23.349 -6.325 -13.643 465 HG LEU 58 HG LEU 58 -22.084 -8.947 -12.853 466 1HD1 LEU 58 1HD1 LEU 58 -24.071 -9.217 -11.470 467 2HD1 LEU 58 2HD1 LEU 58 -24.638 -7.620 -11.955 468 3HD1 LEU 58 3HD1 LEU 58 -23.163 -7.779 -10.999 469 1HD2 LEU 58 1HD2 LEU 58 -23.161 -9.083 -15.044 470 2HD2 LEU 58 2HD2 LEU 58 -24.636 -8.397 -14.364 471 3HD2 LEU 58 3HD2 LEU 58 -24.071 -9.979 -13.829 472 H GLU 59 H GLU 59 -23.258 -5.218 -15.701 473 HA GLU 59 HA GLU 59 -21.185 -3.163 -16.115 474 1HB GLU 59 2HB GLU 59 -22.690 -4.349 -18.027 475 2HB GLU 59 1HB GLU 59 -23.744 -3.007 -17.607 476 1HG GLU 59 2HG GLU 59 -20.986 -2.178 -17.970 477 2HG GLU 59 1HG GLU 59 -21.660 -2.950 -19.403 478 H HIS 60 H HIS 60 -23.109 -1.109 -16.703 479 HA HIS 60 HA HIS 60 -24.568 0.386 -15.804 480 1HB HIS 60 2HB HIS 60 -24.880 -1.545 -13.500 481 2HB HIS 60 1HB HIS 60 -25.763 -0.031 -13.667 482 HD1 HIS 60 HD1 HIS 60 -27.222 -2.753 -13.521 483 HD2 HIS 60 HD2 HIS 60 -26.177 -0.834 -17.057 484 HE1 HIS 60 HE1 HIS 60 -28.788 -3.654 -15.268 485 HE2 HIS 60 HE2 HIS 60 -28.048 -2.578 -17.423 Start of MODEL 8 1 1H MET 1 1H MET 1 21.310 -3.386 12.445 2 2H MET 1 2H MET 1 20.474 -4.550 11.544 3 3H MET 1 3H MET 1 19.807 -3.008 11.767 4 HA MET 1 HA MET 1 21.556 -2.005 10.496 5 1HB MET 1 2HB MET 1 22.509 -4.843 10.065 6 2HB MET 1 1HB MET 1 23.149 -3.425 9.253 7 1HG MET 1 2HG MET 1 24.683 -3.934 10.944 8 2HG MET 1 1HG MET 1 23.764 -2.557 11.547 9 1HE MET 1 1HE MET 1 24.532 -4.608 14.800 10 2HE MET 1 2HE MET 1 24.679 -3.048 13.992 11 3HE MET 1 3HE MET 1 25.582 -4.439 13.392 12 H LYS 2 H LYS 2 20.778 -5.257 9.231 13 HA LYS 2 HA LYS 2 19.722 -3.896 6.850 14 1HB LYS 2 2HB LYS 2 20.229 -6.009 5.671 15 2HB LYS 2 1HB LYS 2 21.648 -5.305 6.436 16 1HG LYS 2 2HG LYS 2 21.402 -6.888 8.306 17 2HG LYS 2 1HG LYS 2 20.023 -7.618 7.482 18 1HD LYS 2 2HD LYS 2 21.958 -8.968 7.054 19 2HD LYS 2 1HD LYS 2 21.535 -8.126 5.564 20 1HE LYS 2 2HE LYS 2 23.291 -6.526 5.905 21 2HE LYS 2 1HE LYS 2 23.650 -7.190 7.499 22 1HZ LYS 2 1HZ LYS 2 23.995 -8.596 4.904 23 2HZ LYS 2 2HZ LYS 2 24.304 -9.271 6.431 24 3HZ LYS 2 3HZ LYS 2 25.239 -7.970 5.871 25 H ARG 3 H ARG 3 18.899 -6.337 9.245 26 HA ARG 3 HA ARG 3 16.713 -7.464 7.808 27 1HB ARG 3 2HB ARG 3 17.395 -7.562 10.750 28 2HB ARG 3 1HB ARG 3 16.139 -8.522 9.986 29 1HG ARG 3 2HG ARG 3 17.781 -9.665 8.632 30 2HG ARG 3 1HG ARG 3 19.068 -8.655 9.292 31 1HD ARG 3 2HD ARG 3 19.004 -10.851 10.371 32 2HD ARG 3 1HD ARG 3 18.654 -9.560 11.517 33 HE ARG 3 HE ARG 3 16.322 -10.779 10.312 34 1HH1 ARG 3 1HH1 ARG 3 18.582 -10.826 12.979 35 2HH1 ARG 3 2HH1 ARG 3 17.520 -11.682 14.054 36 1HH2 ARG 3 1HH2 ARG 3 14.907 -11.924 11.712 37 2HH2 ARG 3 2HH2 ARG 3 15.421 -12.298 13.327 38 H GLN 4 H GLN 4 17.065 -4.695 9.807 39 HA GLN 4 HA GLN 4 14.442 -4.565 10.848 40 1HB GLN 4 2HB GLN 4 16.504 -2.393 10.500 41 2HB GLN 4 1HB GLN 4 15.039 -2.252 11.464 42 1HG GLN 4 2HG GLN 4 15.797 -3.927 12.983 43 2HG GLN 4 1HG GLN 4 17.182 -4.299 11.957 44 1HE2 GLN 4 1HE2 GLN 4 15.802 -2.061 14.211 45 2HE2 GLN 4 2HE2 GLN 4 17.240 -1.133 14.481 46 H LYS 5 H LYS 5 15.887 -3.312 7.879 47 HA LYS 5 HA LYS 5 13.738 -1.479 7.436 48 1HB LYS 5 2HB LYS 5 14.841 -0.746 5.545 49 2HB LYS 5 1HB LYS 5 16.165 -1.314 6.547 50 1HG LYS 5 2HG LYS 5 16.429 -3.274 5.246 51 2HG LYS 5 1HG LYS 5 14.915 -2.984 4.380 52 1HD LYS 5 2HD LYS 5 15.981 -0.786 3.622 53 2HD LYS 5 1HD LYS 5 17.505 -1.464 4.195 54 1HE LYS 5 2HE LYS 5 17.299 -3.321 2.664 55 2HE LYS 5 1HE LYS 5 15.703 -2.765 2.159 56 1HZ LYS 5 1HZ LYS 5 17.232 -2.065 0.516 57 2HZ LYS 5 2HZ LYS 5 18.312 -1.443 1.669 58 3HZ LYS 5 3HZ LYS 5 16.826 -0.676 1.402 59 H ARG 6 H ARG 6 14.340 -4.805 6.596 60 HA ARG 6 HA ARG 6 12.295 -4.960 4.611 61 1HB ARG 6 2HB ARG 6 14.013 -6.686 4.680 62 2HB ARG 6 1HB ARG 6 13.529 -7.141 6.309 63 1HG ARG 6 2HG ARG 6 11.376 -7.895 5.499 64 2HG ARG 6 1HG ARG 6 11.779 -7.362 3.868 65 1HD ARG 6 2HD ARG 6 13.303 -9.461 5.399 66 2HD ARG 6 1HD ARG 6 12.028 -9.813 4.237 67 HE ARG 6 HE ARG 6 14.697 -8.764 3.646 68 1HH1 ARG 6 1HH1 ARG 6 11.565 -9.835 2.475 69 2HH1 ARG 6 2HH1 ARG 6 12.103 -10.019 0.836 70 1HH2 ARG 6 1HH2 ARG 6 15.398 -9.010 1.490 71 2HH2 ARG 6 2HH2 ARG 6 14.276 -9.544 0.269 72 H ASP 7 H ASP 7 12.467 -5.636 8.065 73 HA ASP 7 HA ASP 7 9.960 -6.617 8.631 74 1HB ASP 7 2HB ASP 7 11.770 -6.277 10.296 75 2HB ASP 7 1HB ASP 7 11.499 -4.546 10.222 76 H ARG 8 H ARG 8 10.963 -3.255 8.533 77 HA ARG 8 HA ARG 8 8.511 -2.072 9.103 78 1HB ARG 8 2HB ARG 8 10.675 -0.951 9.265 79 2HB ARG 8 1HB ARG 8 10.856 -1.014 7.519 80 1HG ARG 8 2HG ARG 8 10.170 1.201 8.337 81 2HG ARG 8 1HG ARG 8 9.002 0.490 7.220 82 1HD ARG 8 2HD ARG 8 7.943 1.568 9.176 83 2HD ARG 8 1HD ARG 8 7.575 -0.150 9.051 84 HE ARG 8 HE ARG 8 9.707 -0.107 10.716 85 1HH1 ARG 8 1HH1 ARG 8 6.655 1.586 10.698 86 2HH1 ARG 8 2HH1 ARG 8 6.564 1.722 12.422 87 1HH2 ARG 8 1HH2 ARG 8 9.590 0.044 13.001 88 2HH2 ARG 8 2HH2 ARG 8 8.228 0.840 13.735 89 H LEU 9 H LEU 9 9.845 -3.223 6.075 90 HA LEU 9 HA LEU 9 7.810 -1.881 4.517 91 1HB LEU 9 2HB LEU 9 10.129 -3.648 3.815 92 2HB LEU 9 1HB LEU 9 8.949 -3.143 2.619 93 HG LEU 9 HG LEU 9 10.468 -1.157 4.294 94 1HD1 LEU 9 1HD1 LEU 9 11.208 -2.247 1.586 95 2HD1 LEU 9 2HD1 LEU 9 12.086 -2.517 3.092 96 3HD1 LEU 9 3HD1 LEU 9 11.989 -0.894 2.406 97 1HD2 LEU 9 1HD2 LEU 9 9.856 0.375 2.511 98 2HD2 LEU 9 2HD2 LEU 9 8.422 -0.371 3.218 99 3HD2 LEU 9 3HD2 LEU 9 9.029 -0.927 1.658 100 H GLU 10 H GLU 10 8.507 -5.146 5.659 101 HA GLU 10 HA GLU 10 6.534 -6.532 4.224 102 1HB GLU 10 2HB GLU 10 7.492 -6.990 7.059 103 2HB GLU 10 1HB GLU 10 6.530 -8.129 6.128 104 1HG GLU 10 2HG GLU 10 9.285 -7.179 5.385 105 2HG GLU 10 1HG GLU 10 8.915 -8.698 6.196 106 H ARG 11 H ARG 11 6.373 -4.434 6.980 107 HA ARG 11 HA ARG 11 3.561 -4.991 7.448 108 1HB ARG 11 2HB ARG 11 5.549 -3.178 8.804 109 2HB ARG 11 1HB ARG 11 3.832 -3.145 9.187 110 1HG ARG 11 2HG ARG 11 3.979 -5.567 9.736 111 2HG ARG 11 1HG ARG 11 5.724 -5.459 9.512 112 1HD ARG 11 2HD ARG 11 4.969 -5.275 11.884 113 2HD ARG 11 1HD ARG 11 5.938 -3.915 11.314 114 HE ARG 11 HE ARG 11 3.704 -2.770 10.976 115 1HH1 ARG 11 1HH1 ARG 11 4.153 -5.269 13.388 116 2HH1 ARG 11 2HH1 ARG 11 2.942 -4.624 14.459 117 1HH2 ARG 11 1HH2 ARG 11 2.133 -1.918 12.358 118 2HH2 ARG 11 2HH2 ARG 11 1.789 -2.700 13.875 119 H ALA 12 H ALA 12 5.628 -2.532 6.068 120 HA ALA 12 HA ALA 12 3.751 -0.518 5.609 121 1HB ALA 12 1HB ALA 12 6.180 -0.264 5.235 122 2HB ALA 12 2HB ALA 12 5.221 0.271 3.856 123 3HB ALA 12 3HB ALA 12 6.045 -1.289 3.805 124 H GLN 13 H GLN 13 4.343 -3.547 3.992 125 HA GLN 13 HA GLN 13 2.814 -3.021 1.658 126 1HB GLN 13 2HB GLN 13 4.399 -4.883 1.776 127 2HB GLN 13 1HB GLN 13 3.415 -5.656 3.013 128 1HG GLN 13 2HG GLN 13 1.587 -5.899 1.414 129 2HG GLN 13 1HG GLN 13 2.570 -5.118 0.175 130 1HE2 GLN 13 1HE2 GLN 13 2.111 -7.974 2.099 131 2HE2 GLN 13 2HE2 GLN 13 3.168 -9.002 1.181 132 H SER 14 H SER 14 1.987 -4.732 4.667 133 HA SER 14 HA SER 14 -0.742 -5.099 4.048 134 1HB SER 14 2HB SER 14 0.494 -4.873 6.802 135 2HB SER 14 1HB SER 14 -1.003 -5.699 6.371 136 HG SER 14 HG SER 14 1.046 -6.977 6.622 137 H GLN 15 H GLN 15 1.053 -2.521 5.621 138 HA GLN 15 HA GLN 15 -1.109 -0.963 6.528 139 1HB GLN 15 2HB GLN 15 1.289 -0.643 7.157 140 2HB GLN 15 1HB GLN 15 1.593 -0.013 5.546 141 1HG GLN 15 2HG GLN 15 1.389 1.850 6.954 142 2HG GLN 15 1HG GLN 15 -0.118 1.762 6.042 143 1HE2 GLN 15 1HE2 GLN 15 0.532 3.005 8.630 144 2HE2 GLN 15 2HE2 GLN 15 -0.589 2.323 9.767 145 H GLY 16 H GLY 16 0.716 -0.939 3.487 146 1HA GLY 16 2HA GLY 16 -0.689 1.163 2.247 147 2HA GLY 16 1HA GLY 16 0.233 -0.085 1.420 148 H TYR 17 H TYR 17 -1.308 -2.298 2.415 149 HA TYR 17 HA TYR 17 -3.378 -2.404 0.516 150 1HB TYR 17 2HB TYR 17 -2.141 -4.314 1.839 151 2HB TYR 17 1HB TYR 17 -3.465 -4.108 2.981 152 HD1 TYR 17 HD2 TYR 17 -2.545 -5.136 -0.405 153 HD2 TYR 17 HD1 TYR 17 -5.733 -4.797 2.393 154 HE1 TYR 17 HE2 TYR 17 -3.934 -6.576 -1.822 155 HE2 TYR 17 HE1 TYR 17 -7.134 -6.244 0.976 156 HH TYR 17 HH TYR 17 -5.820 -7.875 -1.842 157 H LYS 18 H LYS 18 -3.477 -1.971 4.042 158 HA LYS 18 HA LYS 18 -6.261 -1.496 4.230 159 1HB LYS 18 2HB LYS 18 -4.967 -2.109 6.181 160 2HB LYS 18 1HB LYS 18 -3.968 -0.674 6.026 161 1HG LYS 18 2HG LYS 18 -5.778 0.740 6.650 162 2HG LYS 18 1HG LYS 18 -6.926 -0.598 6.563 163 1HD LYS 18 2HD LYS 18 -5.879 -1.682 8.444 164 2HD LYS 18 1HD LYS 18 -4.592 -0.478 8.475 165 1HE LYS 18 2HE LYS 18 -7.489 0.238 8.836 166 2HE LYS 18 1HE LYS 18 -6.454 -0.219 10.187 167 1HZ LYS 18 1HZ LYS 18 -6.686 2.240 9.687 168 2HZ LYS 18 2HZ LYS 18 -5.710 1.965 8.326 169 3HZ LYS 18 3HZ LYS 18 -5.111 1.647 9.880 170 H ALA 19 H ALA 19 -3.513 0.563 3.539 171 HA ALA 19 HA ALA 19 -4.930 3.031 3.692 172 1HB ALA 19 1HB ALA 19 -2.491 2.930 3.871 173 2HB ALA 19 2HB ALA 19 -2.995 3.988 2.555 174 3HB ALA 19 3HB ALA 19 -2.389 2.370 2.201 175 H GLY 20 H GLY 20 -4.872 0.497 1.404 176 1HA GLY 20 2HA GLY 20 -5.656 2.028 -0.879 177 2HA GLY 20 1HA GLY 20 -5.836 0.293 -0.672 178 H LEU 21 H LEU 21 -7.334 0.452 1.755 179 HA LEU 21 HA LEU 21 -9.934 1.136 0.639 180 1HB LEU 21 2HB LEU 21 -9.187 -0.227 3.233 181 2HB LEU 21 1HB LEU 21 -10.825 0.033 2.687 182 HG LEU 21 HG LEU 21 -10.461 -2.182 2.173 183 1HD1 LEU 21 1HD1 LEU 21 -11.307 -1.028 0.226 184 2HD1 LEU 21 2HD1 LEU 21 -10.268 -2.375 -0.243 185 3HD1 LEU 21 3HD1 LEU 21 -9.661 -0.722 -0.326 186 1HD2 LEU 21 1HD2 LEU 21 -8.115 -2.295 2.717 187 2HD2 LEU 21 2HD2 LEU 21 -7.701 -1.463 1.217 188 3HD2 LEU 21 3HD2 LEU 21 -8.415 -3.075 1.164 189 H ASN 22 H ASN 22 -7.839 1.971 3.328 190 HA ASN 22 HA ASN 22 -9.790 3.919 4.310 191 1HB ASN 22 2HB ASN 22 -7.506 2.436 5.528 192 2HB ASN 22 1HB ASN 22 -7.995 3.977 6.228 193 1HD2 ASN 22 1HD2 ASN 22 -8.949 0.693 5.567 194 2HD2 ASN 22 2HD2 ASN 22 -10.315 0.662 6.634 195 H GLY 23 H GLY 23 -6.492 3.722 3.074 196 1HA GLY 23 2HA GLY 23 -5.791 6.357 4.017 197 2HA GLY 23 1HA GLY 23 -4.815 5.326 2.982 198 H ARG 24 H ARG 24 -7.317 5.083 1.279 199 HA ARG 24 HA ARG 24 -8.310 6.017 -0.515 200 1HB ARG 24 2HB ARG 24 -8.994 7.805 0.990 201 2HB ARG 24 1HB ARG 24 -7.466 8.627 0.728 202 1HG ARG 24 2HG ARG 24 -8.084 8.788 -1.703 203 2HG ARG 24 1HG ARG 24 -9.682 8.187 -1.256 204 1HD ARG 24 2HD ARG 24 -9.793 10.570 -1.355 205 2HD ARG 24 1HD ARG 24 -9.876 10.090 0.338 206 HE ARG 24 HE ARG 24 -7.203 10.657 -0.476 207 1HH1 ARG 24 1HH1 ARG 24 -10.217 12.148 0.521 208 2HH1 ARG 24 2HH1 ARG 24 -9.446 13.589 1.115 209 1HH2 ARG 24 1HH2 ARG 24 -6.200 12.561 0.264 210 2HH2 ARG 24 2HH2 ARG 24 -7.163 13.847 0.929 211 H SER 25 H SER 25 -5.398 7.988 0.083 212 HA SER 25 HA SER 25 -4.843 7.813 -2.808 213 1HB SER 25 2HB SER 25 -3.954 9.969 -0.889 214 2HB SER 25 1HB SER 25 -3.811 9.986 -2.641 215 HG SER 25 HG SER 25 -5.611 11.121 -2.335 216 H GLN 26 H GLN 26 -2.502 8.162 -3.358 217 HA GLN 26 HA GLN 26 -0.829 6.329 -1.825 218 1HB GLN 26 2HB GLN 26 -0.005 7.897 -4.259 219 2HB GLN 26 1HB GLN 26 0.630 6.365 -3.685 220 1HG GLN 26 2HG GLN 26 -1.289 5.189 -4.368 221 2HG GLN 26 1HG GLN 26 -2.197 6.675 -4.633 222 1HE2 GLN 26 1HE2 GLN 26 -1.803 7.893 -6.463 223 2HE2 GLN 26 2HE2 GLN 26 -0.972 7.252 -7.836 224 H GLU 27 H GLU 27 -1.589 9.511 -1.800 225 HA GLU 27 HA GLU 27 0.963 10.710 -1.264 226 1HB GLU 27 2HB GLU 27 -1.516 11.607 -2.039 227 2HB GLU 27 1HB GLU 27 -1.462 12.104 -0.359 228 1HG GLU 27 2HG GLU 27 0.659 12.774 -2.383 229 2HG GLU 27 1HG GLU 27 -0.702 13.821 -1.991 230 H ALA 28 H ALA 28 -0.425 8.466 0.407 231 HA ALA 28 HA ALA 28 0.011 9.702 3.044 232 1HB ALA 28 1HB ALA 28 -2.312 9.019 2.703 233 2HB ALA 28 2HB ALA 28 -1.536 8.037 3.947 234 3HB ALA 28 3HB ALA 28 -1.777 7.380 2.329 235 H CYS 29 H CYS 29 1.981 8.451 1.213 236 HA CYS 29 HA CYS 29 2.710 6.044 2.732 237 1HB CYS 29 2HB CYS 29 2.566 5.819 0.282 238 2HB CYS 29 1HB CYS 29 3.778 7.080 0.092 239 HG CYS 29 HG CYS 29 4.368 4.018 0.005 240 HA PRO 30 HA PRO 30 5.703 9.085 4.364 241 1HB PRO 30 2HB PRO 30 5.386 8.610 6.948 242 2HB PRO 30 1HB PRO 30 4.118 9.431 6.029 243 1HG PRO 30 2HG PRO 30 4.264 6.583 6.931 244 2HG PRO 30 1HG PRO 30 2.869 7.677 6.894 245 1HD PRO 30 2HD PRO 30 3.491 5.751 4.957 246 2HD PRO 30 1HD PRO 30 2.365 7.103 4.753 247 H TYR 31 H TYR 31 5.929 5.799 4.042 248 HA TYR 31 HA TYR 31 7.888 5.255 6.073 249 1HB TYR 31 2HB TYR 31 6.843 3.632 3.762 250 2HB TYR 31 1HB TYR 31 8.106 3.048 4.842 251 HD1 TYR 31 HD1 TYR 31 7.575 2.908 7.329 252 HD2 TYR 31 HD2 TYR 31 4.578 3.408 4.354 253 HE1 TYR 31 HE1 TYR 31 5.876 2.107 8.913 254 HE2 TYR 31 HE2 TYR 31 2.870 2.603 5.930 255 HH TYR 31 HH TYR 31 3.387 2.357 9.231 256 H GLN 32 H GLN 32 8.146 4.947 2.529 257 HA GLN 32 HA GLN 32 10.864 5.998 2.613 258 1HB GLN 32 2HB GLN 32 10.719 3.389 3.005 259 2HB GLN 32 1HB GLN 32 10.406 3.337 1.280 260 1HG GLN 32 2HG GLN 32 12.684 2.957 1.448 261 2HG GLN 32 1HG GLN 32 12.583 4.660 1.033 262 1HE2 GLN 32 1HE2 GLN 32 11.734 5.343 3.822 263 2HE2 GLN 32 2HE2 GLN 32 13.189 5.269 4.757 264 H GLN 33 H GLN 33 11.635 5.594 0.021 265 HA GLN 33 HA GLN 33 9.434 6.715 -1.521 266 1HB GLN 33 2HB GLN 33 12.370 6.510 -2.137 267 2HB GLN 33 1HB GLN 33 11.169 7.293 -3.136 268 1HG GLN 33 2HG GLN 33 10.813 9.005 -1.529 269 2HG GLN 33 1HG GLN 33 11.786 8.149 -0.330 270 1HE2 GLN 33 1HE2 GLN 33 14.023 8.106 -0.552 271 2HE2 GLN 33 2HE2 GLN 33 14.870 9.215 -1.582 272 H VAL 34 H VAL 34 12.180 4.705 -2.461 273 HA VAL 34 HA VAL 34 10.698 3.554 -4.621 274 HB VAL 34 HB VAL 34 13.483 3.094 -3.549 275 1HG1 VAL 34 1HG1 VAL 34 12.681 0.986 -4.469 276 2HG1 VAL 34 2HG1 VAL 34 13.923 1.697 -5.500 277 3HG1 VAL 34 3HG1 VAL 34 12.226 1.801 -5.967 278 1HG2 VAL 34 1HG2 VAL 34 13.137 5.203 -4.689 279 2HG2 VAL 34 2HG2 VAL 34 12.441 4.366 -6.078 280 3HG2 VAL 34 3HG2 VAL 34 14.144 4.142 -5.674 281 H ASP 35 H ASP 35 12.084 2.342 -1.609 282 HA ASP 35 HA ASP 35 11.264 -0.348 -1.967 283 1HB ASP 35 2HB ASP 35 11.902 1.204 0.552 284 2HB ASP 35 1HB ASP 35 11.613 -0.531 0.511 285 H ALA 36 H ALA 36 9.870 2.411 -0.310 286 HA ALA 36 HA ALA 36 7.628 1.090 0.775 287 1HB ALA 36 1HB ALA 36 6.728 3.391 1.033 288 2HB ALA 36 2HB ALA 36 8.123 3.989 0.122 289 3HB ALA 36 3HB ALA 36 8.358 3.177 1.677 290 H ARG 37 H ARG 37 8.226 2.643 -2.327 291 HA ARG 37 HA ARG 37 5.593 2.739 -3.267 292 1HB ARG 37 2HB ARG 37 7.517 3.792 -4.401 293 2HB ARG 37 1HB ARG 37 8.121 2.201 -4.839 294 1HG ARG 37 2HG ARG 37 6.043 1.823 -6.139 295 2HG ARG 37 1HG ARG 37 5.571 3.486 -5.783 296 1HD ARG 37 2HD ARG 37 7.576 4.311 -6.885 297 2HD ARG 37 1HD ARG 37 8.090 2.657 -7.211 298 HE ARG 37 HE ARG 37 5.658 3.872 -8.364 299 1HH1 ARG 37 1HH1 ARG 37 8.476 1.816 -8.591 300 2HH1 ARG 37 2HH1 ARG 37 8.203 1.400 -10.250 301 1HH2 ARG 37 1HH2 ARG 37 5.282 3.311 -10.557 302 2HH2 ARG 37 2HH2 ARG 37 6.388 2.235 -11.367 303 H SER 38 H SER 38 8.020 0.148 -3.503 304 HA SER 38 HA SER 38 6.397 -1.509 -5.139 305 1HB SER 38 2HB SER 38 8.971 -1.494 -4.865 306 2HB SER 38 1HB SER 38 8.686 -2.499 -3.446 307 HG SER 38 HG SER 38 8.361 -4.136 -4.713 308 H TYR 39 H TYR 39 6.825 -1.140 -1.695 309 HA TYR 39 HA TYR 39 5.289 -3.541 -1.147 310 1HB TYR 39 2HB TYR 39 6.754 -1.594 0.603 311 2HB TYR 39 1HB TYR 39 5.663 -2.795 1.279 312 HD1 TYR 39 HD1 TYR 39 8.820 -2.301 -0.551 313 HD2 TYR 39 HD2 TYR 39 6.287 -5.088 1.420 314 HE1 TYR 39 HE1 TYR 39 10.645 -3.946 -0.546 315 HE2 TYR 39 HE2 TYR 39 8.100 -6.742 1.426 316 HH TYR 39 HH TYR 39 10.134 -7.253 0.521 317 H TRP 40 H TRP 40 5.139 -0.229 0.070 318 HA TRP 40 HA TRP 40 2.536 -0.478 1.112 319 1HB TRP 40 2HB TRP 40 4.266 1.144 1.883 320 2HB TRP 40 1HB TRP 40 4.050 2.042 0.388 321 HD1 TRP 40 HD1 TRP 40 2.604 1.598 3.832 322 HE1 TRP 40 HE1 TRP 40 0.659 3.248 4.168 323 HE3 TRP 40 HE3 TRP 40 2.059 3.220 -0.988 324 HZ2 TRP 40 HZ2 TRP 40 -0.889 5.007 2.606 325 HZ3 TRP 40 HZ3 TRP 40 0.326 4.892 -1.478 326 HH2 TRP 40 HH2 TRP 40 -1.119 5.766 0.282 327 H LEU 41 H LEU 41 3.763 1.009 -1.884 328 HA LEU 41 HA LEU 41 1.135 2.002 -2.547 329 1HB LEU 41 2HB LEU 41 3.440 3.058 -3.057 330 2HB LEU 41 1HB LEU 41 3.500 1.936 -4.398 331 HG LEU 41 HG LEU 41 1.210 3.860 -4.065 332 1HD1 LEU 41 1HD1 LEU 41 3.797 4.325 -5.545 333 2HD1 LEU 41 2HD1 LEU 41 3.279 5.162 -4.081 334 3HD1 LEU 41 3HD1 LEU 41 2.380 5.373 -5.584 335 1HD2 LEU 41 1HD2 LEU 41 0.880 2.010 -5.614 336 2HD2 LEU 41 2HD2 LEU 41 2.376 2.428 -6.448 337 3HD2 LEU 41 3HD2 LEU 41 1.009 3.541 -6.480 338 H GLY 42 H GLY 42 3.249 -0.637 -3.502 339 1HA GLY 42 2HA GLY 42 1.706 -1.715 -5.584 340 2HA GLY 42 1HA GLY 42 2.770 -2.636 -4.527 341 H GLY 43 H GLY 43 1.589 -2.268 -2.081 342 1HA GLY 43 2HA GLY 43 -0.612 -4.041 -2.115 343 2HA GLY 43 1HA GLY 43 -0.084 -3.079 -0.738 344 H TRP 44 H TRP 44 -0.379 -0.529 -1.897 345 HA TRP 44 HA TRP 44 -3.050 0.088 -1.410 346 1HB TRP 44 2HB TRP 44 -1.241 1.758 -1.339 347 2HB TRP 44 1HB TRP 44 -1.044 1.626 -3.082 348 HD1 TRP 44 HD1 TRP 44 -3.343 3.128 -0.432 349 HE1 TRP 44 HE1 TRP 44 -4.912 4.831 -1.552 350 HE3 TRP 44 HE3 TRP 44 -2.183 2.222 -5.330 351 HZ2 TRP 44 HZ2 TRP 44 -5.562 5.685 -4.151 352 HZ3 TRP 44 HZ3 TRP 44 -3.330 3.530 -7.071 353 HH2 TRP 44 HH2 TRP 44 -4.986 5.226 -6.488 354 H ARG 45 H ARG 45 -1.369 -0.182 -4.548 355 HA ARG 45 HA ARG 45 -3.685 0.270 -6.097 356 1HB ARG 45 2HB ARG 45 -1.038 -1.001 -6.771 357 2HB ARG 45 1HB ARG 45 -2.319 -0.802 -7.959 358 1HG ARG 45 2HG ARG 45 -2.287 1.635 -7.499 359 2HG ARG 45 1HG ARG 45 -0.891 1.370 -6.451 360 1HD ARG 45 2HD ARG 45 0.385 0.503 -8.320 361 2HD ARG 45 1HD ARG 45 -1.022 0.645 -9.374 362 HE ARG 45 HE ARG 45 -0.757 3.158 -8.586 363 1HH1 ARG 45 1HH1 ARG 45 1.684 0.873 -9.609 364 2HH1 ARG 45 2HH1 ARG 45 2.729 2.096 -10.270 365 1HH2 ARG 45 1HH2 ARG 45 0.618 4.769 -9.441 366 2HH2 ARG 45 2HH2 ARG 45 2.130 4.311 -10.165 367 H ASP 46 H ASP 46 -2.203 -2.653 -4.842 368 HA ASP 46 HA ASP 46 -3.753 -4.509 -6.281 369 1HB ASP 46 2HB ASP 46 -1.696 -5.044 -4.959 370 2HB ASP 46 1HB ASP 46 -2.638 -4.836 -3.489 371 H ALA 47 H ALA 47 -4.195 -3.126 -3.036 372 HA ALA 47 HA ALA 47 -6.700 -4.332 -2.535 373 1HB ALA 47 1HB ALA 47 -6.931 -2.701 -0.749 374 2HB ALA 47 2HB ALA 47 -5.603 -1.754 -1.418 375 3HB ALA 47 3HB ALA 47 -5.297 -3.368 -0.773 376 H ARG 48 H ARG 48 -5.800 -1.206 -3.922 377 HA ARG 48 HA ARG 48 -8.351 -0.103 -4.199 378 1HB ARG 48 2HB ARG 48 -6.234 1.140 -4.571 379 2HB ARG 48 1HB ARG 48 -5.980 0.229 -6.052 380 1HG ARG 48 2HG ARG 48 -6.846 2.335 -6.682 381 2HG ARG 48 1HG ARG 48 -8.154 1.167 -6.888 382 1HD ARG 48 2HD ARG 48 -9.011 1.839 -4.649 383 2HD ARG 48 1HD ARG 48 -7.778 3.100 -4.605 384 HE ARG 48 HE ARG 48 -9.960 2.972 -6.590 385 1HH1 ARG 48 1HH1 ARG 48 -7.705 4.794 -4.632 386 2HH1 ARG 48 2HH1 ARG 48 -8.319 6.343 -5.123 387 1HH2 ARG 48 1HH2 ARG 48 -10.795 5.000 -7.221 388 2HH2 ARG 48 2HH2 ARG 48 -10.098 6.461 -6.589 389 H ASP 49 H ASP 49 -6.483 -2.152 -6.415 390 HA ASP 49 HA ASP 49 -8.537 -2.187 -8.414 391 1HB ASP 49 2HB ASP 49 -6.079 -2.417 -8.873 392 2HB ASP 49 1HB ASP 49 -6.159 -4.031 -8.172 393 H GLU 50 H GLU 50 -8.126 -3.757 -5.526 394 HA GLU 50 HA GLU 50 -9.385 -6.274 -6.227 395 1HB GLU 50 2HB GLU 50 -7.648 -6.232 -4.491 396 2HB GLU 50 1HB GLU 50 -8.587 -5.078 -3.559 397 1HG GLU 50 2HG GLU 50 -8.810 -7.231 -2.569 398 2HG GLU 50 1HG GLU 50 -10.350 -6.783 -3.298 399 H LYS 51 H LYS 51 -10.144 -3.148 -5.031 400 HA LYS 51 HA LYS 51 -12.903 -3.888 -4.388 401 1HB LYS 51 2HB LYS 51 -11.710 -2.407 -2.831 402 2HB LYS 51 1HB LYS 51 -11.389 -1.275 -4.134 403 1HG LYS 51 2HG LYS 51 -13.759 -0.800 -4.336 404 2HG LYS 51 1HG LYS 51 -14.117 -1.985 -3.076 405 1HD LYS 51 2HD LYS 51 -12.831 -0.682 -1.465 406 2HD LYS 51 1HD LYS 51 -12.428 0.491 -2.722 407 1HE LYS 51 2HE LYS 51 -14.257 1.283 -1.301 408 2HE LYS 51 1HE LYS 51 -14.778 1.061 -2.969 409 1HZ LYS 51 1HZ LYS 51 -15.917 -0.899 -2.416 410 2HZ LYS 51 2HZ LYS 51 -16.325 0.217 -1.205 411 3HZ LYS 51 3HZ LYS 51 -15.191 -1.004 -0.884 412 H GLN 52 H GLN 52 -10.905 -2.808 -6.840 413 HA GLN 52 HA GLN 52 -12.915 -1.234 -8.238 414 1HB GLN 52 2HB GLN 52 -10.509 -0.595 -8.178 415 2HB GLN 52 1HB GLN 52 -10.148 -2.032 -9.118 416 1HG GLN 52 2HG GLN 52 -10.213 -0.085 -10.547 417 2HG GLN 52 1HG GLN 52 -11.521 -1.194 -10.956 418 1HE2 GLN 52 1HE2 GLN 52 -13.653 -0.609 -10.477 419 2HE2 GLN 52 2HE2 GLN 52 -14.090 1.028 -10.125 420 H SER 53 H SER 53 -10.970 -4.134 -8.954 421 HA SER 53 HA SER 53 -12.603 -4.738 -11.252 422 1HB SER 53 2HB SER 53 -10.337 -6.289 -9.972 423 2HB SER 53 1HB SER 53 -11.086 -6.676 -11.521 424 HG SER 53 HG SER 53 -9.183 -4.833 -10.939 425 H GLY 54 H GLY 54 -13.167 -5.091 -8.083 426 1HA GLY 54 2HA GLY 54 -14.104 -7.797 -7.947 427 2HA GLY 54 1HA GLY 54 -14.411 -6.526 -6.775 428 H LEU 55 H LEU 55 -15.222 -5.403 -9.766 429 HA LEU 55 HA LEU 55 -18.056 -5.819 -9.214 430 1HB LEU 55 2HB LEU 55 -16.687 -3.933 -11.126 431 2HB LEU 55 1HB LEU 55 -18.405 -3.958 -10.765 432 HG LEU 55 HG LEU 55 -16.265 -3.385 -8.717 433 1HD1 LEU 55 1HD1 LEU 55 -16.943 -1.050 -8.906 434 2HD1 LEU 55 2HD1 LEU 55 -18.014 -1.468 -10.243 435 3HD1 LEU 55 3HD1 LEU 55 -16.268 -1.654 -10.418 436 1HD2 LEU 55 1HD2 LEU 55 -18.343 -4.271 -7.794 437 2HD2 LEU 55 2HD2 LEU 55 -19.257 -3.030 -8.651 438 3HD2 LEU 55 3HD2 LEU 55 -18.133 -2.570 -7.374 439 H TYR 56 H TYR 56 -15.770 -7.378 -10.909 440 HA TYR 56 HA TYR 56 -15.830 -8.998 -12.496 441 1HB TYR 56 2HB TYR 56 -17.771 -9.774 -11.235 442 2HB TYR 56 1HB TYR 56 -18.816 -8.683 -12.131 443 HD1 TYR 56 HD1 TYR 56 -16.426 -11.506 -12.753 444 HD2 TYR 56 HD2 TYR 56 -20.038 -9.551 -13.874 445 HE1 TYR 56 HE1 TYR 56 -16.877 -13.288 -14.390 446 HE2 TYR 56 HE2 TYR 56 -20.496 -11.325 -15.511 447 HH TYR 56 HH TYR 56 -19.156 -12.989 -16.837 448 H LYS 57 H LYS 57 -16.062 -6.031 -13.198 449 HA LYS 57 HA LYS 57 -17.619 -5.923 -15.598 450 1HB LYS 57 2HB LYS 57 -15.601 -3.979 -14.468 451 2HB LYS 57 1HB LYS 57 -16.640 -3.656 -15.851 452 1HG LYS 57 2HG LYS 57 -17.558 -4.222 -13.038 453 2HG LYS 57 1HG LYS 57 -17.539 -2.646 -13.836 454 1HD LYS 57 2HD LYS 57 -19.175 -3.363 -15.431 455 2HD LYS 57 1HD LYS 57 -19.081 -5.028 -14.850 456 1HE LYS 57 2HE LYS 57 -19.975 -4.313 -12.685 457 2HE LYS 57 1HE LYS 57 -20.073 -2.654 -13.276 458 1HZ LYS 57 1HZ LYS 57 -22.201 -3.873 -13.387 459 2HZ LYS 57 2HZ LYS 57 -21.506 -4.948 -14.501 460 3HZ LYS 57 3HZ LYS 57 -21.678 -3.307 -14.898 461 H LEU 58 H LEU 58 -14.685 -7.341 -15.035 462 HA LEU 58 HA LEU 58 -13.489 -6.533 -17.561 463 1HB LEU 58 2HB LEU 58 -12.458 -8.259 -15.318 464 2HB LEU 58 1HB LEU 58 -11.564 -7.900 -16.776 465 HG LEU 58 HG LEU 58 -12.442 -5.893 -14.705 466 1HD1 LEU 58 1HD1 LEU 58 -10.615 -7.309 -13.947 467 2HD1 LEU 58 2HD1 LEU 58 -10.052 -5.664 -14.255 468 3HD1 LEU 58 3HD1 LEU 58 -9.711 -6.946 -15.418 469 1HD2 LEU 58 1HD2 LEU 58 -10.821 -5.503 -17.222 470 2HD2 LEU 58 2HD2 LEU 58 -11.138 -4.275 -15.995 471 3HD2 LEU 58 3HD2 LEU 58 -12.468 -4.930 -16.949 472 H GLU 59 H GLU 59 -14.488 -9.506 -15.898 473 HA GLU 59 HA GLU 59 -14.886 -11.623 -16.600 474 1HB GLU 59 2HB GLU 59 -15.658 -10.199 -19.153 475 2HB GLU 59 1HB GLU 59 -15.989 -11.892 -18.815 476 1HG GLU 59 2HG GLU 59 -17.220 -11.049 -16.739 477 2HG GLU 59 1HG GLU 59 -17.154 -9.464 -17.509 478 H HIS 60 H HIS 60 -14.546 -12.811 -19.180 479 HA HIS 60 HA HIS 60 -11.633 -12.573 -19.521 480 1HB HIS 60 2HB HIS 60 -13.274 -15.117 -19.464 481 2HB HIS 60 1HB HIS 60 -11.569 -15.033 -19.891 482 HD1 HIS 60 HD1 HIS 60 -13.871 -15.157 -17.007 483 HD2 HIS 60 HD2 HIS 60 -9.843 -14.388 -17.704 484 HE1 HIS 60 HE1 HIS 60 -12.743 -15.334 -14.760 485 HE2 HIS 60 HE2 HIS 60 -10.278 -15.087 -15.253 Start of MODEL 9 1 1H MET 1 1H MET 1 23.281 -5.486 5.168 2 2H MET 1 2H MET 1 21.853 -5.020 5.953 3 3H MET 1 3H MET 1 22.020 -4.783 4.285 4 HA MET 1 HA MET 1 21.946 -7.070 3.826 5 1HB MET 1 2HB MET 1 21.941 -7.460 6.832 6 2HB MET 1 1HB MET 1 21.735 -8.739 5.642 7 1HG MET 1 2HG MET 1 23.968 -8.346 4.793 8 2HG MET 1 1HG MET 1 24.183 -7.006 5.917 9 1HE MET 1 1HE MET 1 26.264 -9.406 5.655 10 2HE MET 1 2HE MET 1 26.615 -9.687 7.360 11 3HE MET 1 3HE MET 1 26.441 -8.039 6.756 12 H LYS 2 H LYS 2 20.258 -6.165 6.828 13 HA LYS 2 HA LYS 2 17.747 -5.897 5.390 14 1HB LYS 2 2HB LYS 2 17.862 -8.310 5.957 15 2HB LYS 2 1HB LYS 2 18.070 -7.887 7.653 16 1HG LYS 2 2HG LYS 2 15.825 -6.637 7.369 17 2HG LYS 2 1HG LYS 2 15.643 -7.639 5.926 18 1HD LYS 2 2HD LYS 2 15.959 -9.649 7.296 19 2HD LYS 2 1HD LYS 2 16.106 -8.637 8.734 20 1HE LYS 2 2HE LYS 2 13.798 -7.728 8.095 21 2HE LYS 2 1HE LYS 2 13.693 -9.114 7.012 22 1HZ LYS 2 1HZ LYS 2 14.015 -9.161 9.959 23 2HZ LYS 2 2HZ LYS 2 14.150 -10.538 8.980 24 3HZ LYS 2 3HZ LYS 2 12.677 -9.699 9.065 25 H ARG 3 H ARG 3 18.597 -6.498 8.757 26 HA ARG 3 HA ARG 3 18.576 -5.305 10.654 27 1HB ARG 3 2HB ARG 3 19.933 -3.661 9.436 28 2HB ARG 3 1HB ARG 3 18.466 -2.874 8.864 29 1HG ARG 3 2HG ARG 3 17.922 -2.086 11.002 30 2HG ARG 3 1HG ARG 3 19.054 -3.191 11.788 31 1HD ARG 3 2HD ARG 3 19.838 -0.929 9.958 32 2HD ARG 3 1HD ARG 3 19.853 -0.847 11.719 33 HE ARG 3 HE ARG 3 21.386 -3.050 10.703 34 1HH1 ARG 3 1HH1 ARG 3 21.469 0.387 11.390 35 2HH1 ARG 3 2HH1 ARG 3 23.193 0.443 11.547 36 1HH2 ARG 3 1HH2 ARG 3 23.663 -2.983 10.925 37 2HH2 ARG 3 2HH2 ARG 3 24.451 -1.477 11.294 38 H GLN 4 H GLN 4 16.456 -3.467 8.500 39 HA GLN 4 HA GLN 4 14.090 -4.340 9.857 40 1HB GLN 4 2HB GLN 4 15.208 -2.524 11.347 41 2HB GLN 4 1HB GLN 4 14.607 -1.396 10.138 42 1HG GLN 4 2HG GLN 4 12.333 -2.203 10.531 43 2HG GLN 4 1HG GLN 4 12.944 -3.313 11.757 44 1HE2 GLN 4 1HE2 GLN 4 11.007 -1.224 12.077 45 2HE2 GLN 4 2HE2 GLN 4 11.645 -0.114 13.236 46 H LYS 5 H LYS 5 15.450 -3.691 7.125 47 HA LYS 5 HA LYS 5 13.862 -1.768 5.818 48 1HB LYS 5 2HB LYS 5 15.711 -3.927 4.970 49 2HB LYS 5 1HB LYS 5 14.562 -3.361 3.769 50 1HG LYS 5 2HG LYS 5 16.586 -1.682 5.237 51 2HG LYS 5 1HG LYS 5 16.651 -2.182 3.545 52 1HD LYS 5 2HD LYS 5 14.388 -0.996 3.310 53 2HD LYS 5 1HD LYS 5 14.774 -0.243 4.860 54 1HE LYS 5 2HE LYS 5 15.483 1.267 3.175 55 2HE LYS 5 1HE LYS 5 16.940 0.514 3.821 56 1HZ LYS 5 1HZ LYS 5 15.557 -0.350 1.335 57 2HZ LYS 5 2HZ LYS 5 17.044 -0.928 1.918 58 3HZ LYS 5 3HZ LYS 5 16.909 0.671 1.372 59 H ARG 6 H ARG 6 13.771 -5.277 5.332 60 HA ARG 6 HA ARG 6 11.314 -5.219 3.958 61 1HB ARG 6 2HB ARG 6 13.038 -7.007 3.748 62 2HB ARG 6 1HB ARG 6 12.591 -7.575 5.351 63 1HG ARG 6 2HG ARG 6 10.343 -8.068 4.567 64 2HG ARG 6 1HG ARG 6 10.758 -7.459 2.963 65 1HD ARG 6 2HD ARG 6 12.473 -9.201 2.760 66 2HD ARG 6 1HD ARG 6 12.032 -9.818 4.351 67 HE ARG 6 HE ARG 6 9.738 -9.744 2.725 68 1HH1 ARG 6 1HH1 ARG 6 12.770 -11.490 3.009 69 2HH1 ARG 6 2HH1 ARG 6 12.130 -12.948 2.301 70 1HH2 ARG 6 1HH2 ARG 6 8.914 -11.650 1.797 71 2HH2 ARG 6 2HH2 ARG 6 9.946 -13.030 1.604 72 H ASP 7 H ASP 7 12.112 -5.320 7.305 73 HA ASP 7 HA ASP 7 9.817 -6.463 8.411 74 1HB ASP 7 2HB ASP 7 11.506 -4.201 9.506 75 2HB ASP 7 1HB ASP 7 10.389 -5.189 10.441 76 H ARG 8 H ARG 8 10.526 -2.974 8.122 77 HA ARG 8 HA ARG 8 7.857 -2.203 8.672 78 1HB ARG 8 2HB ARG 8 8.582 0.052 7.877 79 2HB ARG 8 1HB ARG 8 9.595 -0.634 9.139 80 1HG ARG 8 2HG ARG 8 11.294 -1.206 7.541 81 2HG ARG 8 1HG ARG 8 10.261 -0.703 6.202 82 1HD ARG 8 2HD ARG 8 12.037 0.943 6.898 83 2HD ARG 8 1HD ARG 8 10.391 1.570 6.832 84 HE ARG 8 HE ARG 8 10.324 1.452 9.251 85 1HH1 ARG 8 1HH1 ARG 8 13.489 1.136 7.773 86 2HH1 ARG 8 2HH1 ARG 8 14.345 1.651 9.196 87 1HH2 ARG 8 1HH2 ARG 8 11.441 2.170 11.102 88 2HH2 ARG 8 2HH2 ARG 8 13.175 2.250 11.085 89 H LEU 9 H LEU 9 9.557 -3.019 5.747 90 HA LEU 9 HA LEU 9 7.660 -1.880 3.956 91 1HB LEU 9 2HB LEU 9 9.807 -3.954 3.622 92 2HB LEU 9 1HB LEU 9 8.751 -3.483 2.303 93 HG LEU 9 HG LEU 9 10.554 -1.585 3.810 94 1HD1 LEU 9 1HD1 LEU 9 11.767 -3.282 2.455 95 2HD1 LEU 9 2HD1 LEU 9 11.984 -1.632 1.880 96 3HD1 LEU 9 3HD1 LEU 9 10.885 -2.719 1.034 97 1HD2 LEU 9 1HD2 LEU 9 10.007 -0.054 1.973 98 2HD2 LEU 9 2HD2 LEU 9 8.588 -0.500 2.921 99 3HD2 LEU 9 3HD2 LEU 9 8.863 -1.240 1.342 100 H GLU 10 H GLU 10 8.045 -5.094 5.384 101 HA GLU 10 HA GLU 10 5.980 -6.403 4.012 102 1HB GLU 10 2HB GLU 10 7.611 -7.521 5.520 103 2HB GLU 10 1HB GLU 10 6.816 -6.775 6.901 104 1HG GLU 10 2HG GLU 10 4.698 -7.950 6.023 105 2HG GLU 10 1HG GLU 10 5.823 -8.933 5.088 106 H ARG 11 H ARG 11 5.989 -4.318 6.822 107 HA ARG 11 HA ARG 11 3.195 -4.662 7.398 108 1HB ARG 11 2HB ARG 11 5.182 -2.598 8.364 109 2HB ARG 11 1HB ARG 11 3.537 -2.754 8.962 110 1HG ARG 11 2HG ARG 11 4.089 -5.063 9.699 111 2HG ARG 11 1HG ARG 11 5.764 -4.761 9.230 112 1HD ARG 11 2HD ARG 11 5.471 -4.388 11.611 113 2HD ARG 11 1HD ARG 11 5.854 -2.874 10.794 114 HE ARG 11 HE ARG 11 3.113 -3.629 11.604 115 1HH1 ARG 11 1HH1 ARG 11 5.693 -1.259 11.348 116 2HH1 ARG 11 2HH1 ARG 11 4.707 0.052 11.916 117 1HH2 ARG 11 1HH2 ARG 11 1.839 -1.918 12.384 118 2HH2 ARG 11 2HH2 ARG 11 2.507 -0.318 12.502 119 H ALA 12 H ALA 12 5.230 -2.283 5.796 120 HA ALA 12 HA ALA 12 3.297 -0.382 5.155 121 1HB ALA 12 1HB ALA 12 5.717 -0.036 4.854 122 2HB ALA 12 2HB ALA 12 4.799 0.348 3.398 123 3HB ALA 12 3HB ALA 12 5.695 -1.169 3.503 124 H GLN 13 H GLN 13 3.997 -3.509 3.764 125 HA GLN 13 HA GLN 13 2.514 -3.055 1.358 126 1HB GLN 13 2HB GLN 13 4.235 -4.842 1.589 127 2HB GLN 13 1HB GLN 13 3.146 -5.703 2.671 128 1HG GLN 13 2HG GLN 13 1.515 -5.922 0.889 129 2HG GLN 13 1HG GLN 13 2.556 -5.005 -0.197 130 1HE2 GLN 13 1HE2 GLN 13 2.076 -8.027 1.446 131 2HE2 GLN 13 2HE2 GLN 13 3.228 -8.938 0.531 132 H SER 14 H SER 14 1.768 -4.619 4.450 133 HA SER 14 HA SER 14 -0.931 -5.217 3.796 134 1HB SER 14 2HB SER 14 0.284 -4.863 6.547 135 2HB SER 14 1HB SER 14 -1.166 -5.780 6.140 136 HG SER 14 HG SER 14 1.206 -6.755 6.317 137 H GLN 15 H GLN 15 0.690 -2.550 5.411 138 HA GLN 15 HA GLN 15 -1.657 -1.172 6.227 139 1HB GLN 15 2HB GLN 15 0.932 -0.978 6.890 140 2HB GLN 15 1HB GLN 15 0.876 0.314 5.702 141 1HG GLN 15 2HG GLN 15 -1.055 0.152 7.996 142 2HG GLN 15 1HG GLN 15 0.519 0.925 8.144 143 1HE2 GLN 15 1HE2 GLN 15 0.901 2.849 7.077 144 2HE2 GLN 15 2HE2 GLN 15 -0.385 3.833 6.453 145 H GLY 16 H GLY 16 0.519 -0.892 3.434 146 1HA GLY 16 2HA GLY 16 -0.734 1.274 2.168 147 2HA GLY 16 1HA GLY 16 0.197 0.023 1.354 148 H TYR 17 H TYR 17 -1.417 -2.189 2.032 149 HA TYR 17 HA TYR 17 -3.412 -2.189 0.099 150 1HB TYR 17 2HB TYR 17 -2.432 -4.212 1.217 151 2HB TYR 17 1HB TYR 17 -3.386 -3.832 2.645 152 HD1 TYR 17 HD2 TYR 17 -5.942 -3.817 2.402 153 HD2 TYR 17 HD1 TYR 17 -3.338 -5.472 -0.527 154 HE1 TYR 17 HE2 TYR 17 -7.807 -5.133 1.497 155 HE2 TYR 17 HE1 TYR 17 -5.199 -6.790 -1.444 156 HH TYR 17 HH TYR 17 -7.359 -7.672 -0.746 157 H LYS 18 H LYS 18 -3.755 -1.807 3.628 158 HA LYS 18 HA LYS 18 -6.532 -1.246 3.500 159 1HB LYS 18 2HB LYS 18 -5.152 -2.016 5.535 160 2HB LYS 18 1HB LYS 18 -4.743 -0.316 5.728 161 1HG LYS 18 2HG LYS 18 -6.605 -0.843 7.154 162 2HG LYS 18 1HG LYS 18 -7.154 0.208 5.853 163 1HD LYS 18 2HD LYS 18 -8.101 -1.654 4.665 164 2HD LYS 18 1HD LYS 18 -7.409 -2.794 5.817 165 1HE LYS 18 2HE LYS 18 -9.478 -0.701 6.468 166 2HE LYS 18 1HE LYS 18 -9.813 -2.409 6.191 167 1HZ LYS 18 1HZ LYS 18 -9.701 -2.081 8.514 168 2HZ LYS 18 2HZ LYS 18 -8.247 -1.212 8.410 169 3HZ LYS 18 3HZ LYS 18 -8.268 -2.873 8.077 170 H ALA 19 H ALA 19 -3.649 0.716 3.299 171 HA ALA 19 HA ALA 19 -4.871 3.244 3.618 172 1HB ALA 19 1HB ALA 19 -2.853 4.150 2.599 173 2HB ALA 19 2HB ALA 19 -2.377 2.531 2.085 174 3HB ALA 19 3HB ALA 19 -2.460 2.923 3.804 175 H GLY 20 H GLY 20 -4.906 0.994 1.018 176 1HA GLY 20 2HA GLY 20 -5.649 2.806 -1.040 177 2HA GLY 20 1HA GLY 20 -6.000 1.089 -0.993 178 H LEU 21 H LEU 21 -7.408 1.162 1.500 179 HA LEU 21 HA LEU 21 -9.972 2.163 0.527 180 1HB LEU 21 2HB LEU 21 -9.370 0.538 3.004 181 2HB LEU 21 1HB LEU 21 -10.956 0.884 2.359 182 HG LEU 21 HG LEU 21 -10.608 -1.312 1.724 183 1HD1 LEU 21 1HD1 LEU 21 -10.231 -1.359 -0.680 184 2HD1 LEU 21 2HD1 LEU 21 -9.597 0.286 -0.609 185 3HD1 LEU 21 3HD1 LEU 21 -11.285 -0.028 -0.203 186 1HD2 LEU 21 1HD2 LEU 21 -8.310 -1.521 2.427 187 2HD2 LEU 21 2HD2 LEU 21 -7.770 -0.611 1.018 188 3HD2 LEU 21 3HD2 LEU 21 -8.516 -2.196 0.812 189 H ASN 22 H ASN 22 -7.746 2.513 3.206 190 HA ASN 22 HA ASN 22 -9.479 4.433 4.544 191 1HB ASN 22 2HB ASN 22 -7.071 2.844 5.334 192 2HB ASN 22 1HB ASN 22 -7.522 4.271 6.251 193 1HD2 ASN 22 1HD2 ASN 22 -10.372 3.917 5.922 194 2HD2 ASN 22 2HD2 ASN 22 -10.816 2.565 6.905 195 H GLY 23 H GLY 23 -6.262 4.257 3.088 196 1HA GLY 23 2HA GLY 23 -5.549 6.904 4.008 197 2HA GLY 23 1HA GLY 23 -4.615 5.889 2.917 198 H ARG 24 H ARG 24 -6.988 5.474 1.252 199 HA ARG 24 HA ARG 24 -7.989 6.271 -0.602 200 1HB ARG 24 2HB ARG 24 -9.089 7.867 0.825 201 2HB ARG 24 1HB ARG 24 -7.686 8.924 0.791 202 1HG ARG 24 2HG ARG 24 -8.034 9.386 -1.547 203 2HG ARG 24 1HG ARG 24 -9.354 8.218 -1.613 204 1HD ARG 24 2HD ARG 24 -10.111 10.580 -1.461 205 2HD ARG 24 1HD ARG 24 -10.698 9.556 -0.152 206 HE ARG 24 HE ARG 24 -9.254 10.653 1.344 207 1HH1 ARG 24 1HH1 ARG 24 -9.141 11.996 -1.894 208 2HH1 ARG 24 2HH1 ARG 24 -8.353 13.462 -1.396 209 1HH2 ARG 24 1HH2 ARG 24 -8.219 12.577 2.007 210 2HH2 ARG 24 2HH2 ARG 24 -7.834 13.799 0.827 211 H SER 25 H SER 25 -5.347 8.502 0.231 212 HA SER 25 HA SER 25 -4.604 8.555 -2.608 213 1HB SER 25 2HB SER 25 -3.810 10.407 -0.346 214 2HB SER 25 1HB SER 25 -3.347 10.596 -2.035 215 HG SER 25 HG SER 25 -5.559 10.834 -2.559 216 H GLN 26 H GLN 26 -2.024 9.168 -2.646 217 HA GLN 26 HA GLN 26 -0.760 6.732 -1.573 218 1HB GLN 26 2HB GLN 26 0.427 8.660 -3.569 219 2HB GLN 26 1HB GLN 26 0.880 6.990 -3.275 220 1HG GLN 26 2HG GLN 26 -1.167 6.203 -4.255 221 2HG GLN 26 1HG GLN 26 -1.748 7.858 -4.444 222 1HE2 GLN 26 1HE2 GLN 26 0.444 5.445 -5.612 223 2HE2 GLN 26 2HE2 GLN 26 0.896 6.261 -7.074 224 H GLU 27 H GLU 27 -1.020 10.045 -1.217 225 HA GLU 27 HA GLU 27 1.512 10.715 -0.150 226 1HB GLU 27 2HB GLU 27 -1.097 11.963 -0.554 227 2HB GLU 27 1HB GLU 27 -0.294 12.512 0.903 228 1HG GLU 27 2HG GLU 27 0.157 13.910 -1.079 229 2HG GLU 27 1HG GLU 27 1.610 13.241 -0.344 230 H ALA 28 H ALA 28 -0.728 8.650 1.024 231 HA ALA 28 HA ALA 28 -0.389 9.300 3.842 232 1HB ALA 28 1HB ALA 28 -2.575 8.515 3.041 233 2HB ALA 28 2HB ALA 28 -1.886 7.430 4.252 234 3HB ALA 28 3HB ALA 28 -1.837 6.992 2.544 235 H CYS 29 H CYS 29 1.804 8.404 1.954 236 HA CYS 29 HA CYS 29 2.675 5.966 3.336 237 1HB CYS 29 2HB CYS 29 2.679 5.791 0.915 238 2HB CYS 29 1HB CYS 29 3.646 7.255 0.773 239 HG CYS 29 HG CYS 29 5.884 6.010 0.697 240 HA PRO 30 HA PRO 30 5.489 8.983 5.273 241 1HB PRO 30 2HB PRO 30 5.106 8.271 7.804 242 2HB PRO 30 1HB PRO 30 3.872 9.191 6.936 243 1HG PRO 30 2HG PRO 30 3.953 6.284 7.603 244 2HG PRO 30 1HG PRO 30 2.572 7.396 7.587 245 1HD PRO 30 2HD PRO 30 3.273 5.611 5.535 246 2HD PRO 30 1HD PRO 30 2.147 6.973 5.400 247 H TYR 31 H TYR 31 5.749 5.826 4.531 248 HA TYR 31 HA TYR 31 7.691 5.008 6.508 249 1HB TYR 31 2HB TYR 31 6.663 3.644 4.017 250 2HB TYR 31 1HB TYR 31 7.833 2.925 5.116 251 HD1 TYR 31 HD2 TYR 31 7.157 2.281 7.401 252 HD2 TYR 31 HD1 TYR 31 4.335 3.765 4.583 253 HE1 TYR 31 HE2 TYR 31 5.322 1.429 8.798 254 HE2 TYR 31 HE1 TYR 31 2.493 2.917 5.974 255 HH TYR 31 HH TYR 31 2.908 1.943 9.162 256 H GLN 32 H GLN 32 7.879 5.058 2.948 257 HA GLN 32 HA GLN 32 10.579 6.109 3.008 258 1HB GLN 32 2HB GLN 32 10.706 3.604 3.505 259 2HB GLN 32 1HB GLN 32 10.060 3.333 1.899 260 1HG GLN 32 2HG GLN 32 12.448 3.023 1.931 261 2HG GLN 32 1HG GLN 32 12.029 4.401 0.924 262 1HE2 GLN 32 1HE2 GLN 32 14.102 5.231 1.119 263 2HE2 GLN 32 2HE2 GLN 32 14.649 6.000 2.570 264 H GLN 33 H GLN 33 11.369 5.965 0.496 265 HA GLN 33 HA GLN 33 9.022 6.682 -1.089 266 1HB GLN 33 2HB GLN 33 10.704 8.369 -1.133 267 2HB GLN 33 1HB GLN 33 11.946 7.192 -1.537 268 1HG GLN 33 2HG GLN 33 11.364 8.471 -3.491 269 2HG GLN 33 1HG GLN 33 10.859 6.794 -3.693 270 1HE2 GLN 33 1HE2 GLN 33 9.293 7.186 -5.184 271 2HE2 GLN 33 2HE2 GLN 33 7.826 8.039 -4.834 272 H VAL 34 H VAL 34 12.115 5.141 -1.996 273 HA VAL 34 HA VAL 34 10.838 3.894 -4.234 274 HB VAL 34 HB VAL 34 13.605 3.492 -3.096 275 1HG1 VAL 34 1HG1 VAL 34 12.985 1.586 -4.435 276 2HG1 VAL 34 2HG1 VAL 34 14.155 2.571 -5.315 277 3HG1 VAL 34 3HG1 VAL 34 12.445 2.639 -5.742 278 1HG2 VAL 34 1HG2 VAL 34 13.234 5.773 -3.799 279 2HG2 VAL 34 2HG2 VAL 34 12.607 5.223 -5.354 280 3HG2 VAL 34 3HG2 VAL 34 14.304 4.963 -4.944 281 H ASP 35 H ASP 35 12.242 2.703 -1.219 282 HA ASP 35 HA ASP 35 11.671 -0.026 -1.596 283 1HB ASP 35 2HB ASP 35 11.931 1.618 0.929 284 2HB ASP 35 1HB ASP 35 11.766 -0.132 0.924 285 H ALA 36 H ALA 36 9.896 2.558 -0.007 286 HA ALA 36 HA ALA 36 7.702 0.986 0.818 287 1HB ALA 36 1HB ALA 36 8.200 3.041 1.925 288 2HB ALA 36 2HB ALA 36 6.605 3.184 1.181 289 3HB ALA 36 3HB ALA 36 8.009 3.955 0.425 290 H ARG 37 H ARG 37 8.383 2.836 -2.102 291 HA ARG 37 HA ARG 37 5.864 2.788 -3.268 292 1HB ARG 37 2HB ARG 37 7.740 3.995 -4.252 293 2HB ARG 37 1HB ARG 37 8.573 2.482 -4.580 294 1HG ARG 37 2HG ARG 37 6.858 1.859 -6.174 295 2HG ARG 37 1HG ARG 37 5.954 3.331 -5.805 296 1HD ARG 37 2HD ARG 37 7.792 4.690 -6.616 297 2HD ARG 37 1HD ARG 37 8.752 3.243 -6.925 298 HE ARG 37 HE ARG 37 6.734 2.707 -8.485 299 1HH1 ARG 37 1HH1 ARG 37 8.219 5.837 -7.953 300 2HH1 ARG 37 2HH1 ARG 37 7.815 6.429 -9.538 301 1HH2 ARG 37 1HH2 ARG 37 6.231 3.476 -10.561 302 2HH2 ARG 37 2HH2 ARG 37 6.713 5.083 -11.024 303 H SER 38 H SER 38 8.407 0.339 -3.274 304 HA SER 38 HA SER 38 7.198 -1.434 -5.074 305 1HB SER 38 2HB SER 38 9.605 -1.479 -4.466 306 2HB SER 38 1HB SER 38 9.172 -2.035 -2.851 307 HG SER 38 HG SER 38 9.746 -3.788 -4.168 308 H TYR 39 H TYR 39 7.134 -1.207 -1.535 309 HA TYR 39 HA TYR 39 5.406 -3.533 -1.468 310 1HB TYR 39 2HB TYR 39 7.026 -2.115 0.589 311 2HB TYR 39 1HB TYR 39 5.688 -3.144 1.099 312 HD1 TYR 39 HD1 TYR 39 5.755 -5.531 0.763 313 HD2 TYR 39 HD2 TYR 39 9.007 -3.082 -0.469 314 HE1 TYR 39 HE1 TYR 39 7.151 -7.531 0.498 315 HE2 TYR 39 HE2 TYR 39 10.416 -5.082 -0.733 316 HH TYR 39 HH TYR 39 9.193 -8.175 -0.865 317 H TRP 40 H TRP 40 5.356 -0.255 -0.117 318 HA TRP 40 HA TRP 40 2.739 -0.473 0.926 319 1HB TRP 40 2HB TRP 40 4.489 1.155 1.687 320 2HB TRP 40 1HB TRP 40 4.231 2.056 0.199 321 HD1 TRP 40 HD1 TRP 40 2.754 1.464 3.631 322 HE1 TRP 40 HE1 TRP 40 0.799 3.093 4.008 323 HE3 TRP 40 HE3 TRP 40 2.308 3.326 -1.116 324 HZ2 TRP 40 HZ2 TRP 40 -0.710 4.935 2.508 325 HZ3 TRP 40 HZ3 TRP 40 0.580 5.025 -1.554 326 HH2 TRP 40 HH2 TRP 40 -0.899 5.810 0.217 327 H LEU 41 H LEU 41 4.020 0.961 -2.101 328 HA LEU 41 HA LEU 41 1.377 1.830 -2.893 329 1HB LEU 41 2HB LEU 41 3.886 2.654 -3.559 330 2HB LEU 41 1HB LEU 41 3.506 1.640 -4.935 331 HG LEU 41 HG LEU 41 1.830 3.976 -4.011 332 1HD1 LEU 41 1HD1 LEU 41 2.722 5.143 -5.958 333 2HD1 LEU 41 2HD1 LEU 41 3.770 3.769 -6.312 334 3HD1 LEU 41 3HD1 LEU 41 4.007 4.702 -4.834 335 1HD2 LEU 41 1HD2 LEU 41 0.698 3.730 -6.160 336 2HD2 LEU 41 2HD2 LEU 41 0.537 2.268 -5.187 337 3HD2 LEU 41 3HD2 LEU 41 1.684 2.312 -6.528 338 H GLY 42 H GLY 42 3.451 -0.909 -3.295 339 1HA GLY 42 2HA GLY 42 2.154 -2.199 -5.433 340 2HA GLY 42 1HA GLY 42 3.058 -3.003 -4.154 341 H GLY 43 H GLY 43 1.687 -2.557 -1.914 342 1HA GLY 43 2HA GLY 43 -0.616 -4.200 -2.123 343 2HA GLY 43 1HA GLY 43 -0.125 -3.287 -0.700 344 H TRP 44 H TRP 44 -0.143 -0.732 -2.074 345 HA TRP 44 HA TRP 44 -2.772 0.117 -1.666 346 1HB TRP 44 2HB TRP 44 -0.650 1.520 -1.752 347 2HB TRP 44 1HB TRP 44 -0.771 1.445 -3.503 348 HD1 TRP 44 HD1 TRP 44 -2.763 2.773 -0.469 349 HE1 TRP 44 HE1 TRP 44 -4.134 4.810 -1.241 350 HE3 TRP 44 HE3 TRP 44 -1.665 2.649 -5.469 351 HZ2 TRP 44 HZ2 TRP 44 -4.675 6.179 -3.643 352 HZ3 TRP 44 HZ3 TRP 44 -2.645 4.369 -6.930 353 HH2 TRP 44 HH2 TRP 44 -4.116 6.098 -6.032 354 H ARG 45 H ARG 45 -1.040 -0.597 -4.697 355 HA ARG 45 HA ARG 45 -3.326 -0.233 -6.357 356 1HB ARG 45 2HB ARG 45 -0.660 -1.557 -6.806 357 2HB ARG 45 1HB ARG 45 -1.919 -1.567 -8.034 358 1HG ARG 45 2HG ARG 45 -0.647 0.873 -6.820 359 2HG ARG 45 1HG ARG 45 -0.332 0.219 -8.429 360 1HD ARG 45 2HD ARG 45 -2.913 1.381 -7.394 361 2HD ARG 45 1HD ARG 45 -1.861 2.059 -8.633 362 HE ARG 45 HE ARG 45 -3.417 -0.431 -8.972 363 1HH1 ARG 45 1HH1 ARG 45 -2.039 2.531 -10.239 364 2HH1 ARG 45 2HH1 ARG 45 -2.680 2.291 -11.836 365 1HH2 ARG 45 1HH2 ARG 45 -4.297 -0.732 -11.054 366 2HH2 ARG 45 2HH2 ARG 45 -3.974 0.446 -12.302 367 H ASP 46 H ASP 46 -1.872 -3.006 -4.764 368 HA ASP 46 HA ASP 46 -3.345 -5.065 -5.940 369 1HB ASP 46 2HB ASP 46 -1.401 -5.395 -4.440 370 2HB ASP 46 1HB ASP 46 -2.374 -4.859 -3.075 371 H ALA 47 H ALA 47 -4.033 -3.148 -3.039 372 HA ALA 47 HA ALA 47 -6.561 -4.227 -2.474 373 1HB ALA 47 1HB ALA 47 -6.918 -2.214 -1.143 374 2HB ALA 47 2HB ALA 47 -5.521 -1.456 -1.908 375 3HB ALA 47 3HB ALA 47 -5.304 -2.875 -0.884 376 H ARG 48 H ARG 48 -5.585 -1.515 -4.532 377 HA ARG 48 HA ARG 48 -8.191 -0.602 -5.085 378 1HB ARG 48 2HB ARG 48 -5.632 -0.314 -6.649 379 2HB ARG 48 1HB ARG 48 -7.138 0.470 -7.108 380 1HG ARG 48 2HG ARG 48 -7.115 1.513 -4.787 381 2HG ARG 48 1HG ARG 48 -5.443 0.955 -4.679 382 1HD ARG 48 2HD ARG 48 -5.452 3.228 -5.460 383 2HD ARG 48 1HD ARG 48 -4.951 2.173 -6.781 384 HE ARG 48 HE ARG 48 -7.710 3.209 -6.525 385 1HH1 ARG 48 1HH1 ARG 48 -4.831 2.611 -8.436 386 2HH1 ARG 48 2HH1 ARG 48 -5.563 3.094 -9.936 387 1HH2 ARG 48 1HH2 ARG 48 -8.673 3.855 -8.501 388 2HH2 ARG 48 2HH2 ARG 48 -7.738 3.810 -9.967 389 H ASP 49 H ASP 49 -6.197 -3.092 -6.588 390 HA ASP 49 HA ASP 49 -7.998 -3.454 -8.807 391 1HB ASP 49 2HB ASP 49 -5.412 -4.089 -8.488 392 2HB ASP 49 1HB ASP 49 -6.123 -5.631 -8.016 393 H GLU 50 H GLU 50 -7.846 -4.469 -5.590 394 HA GLU 50 HA GLU 50 -9.485 -6.843 -5.893 395 1HB GLU 50 2HB GLU 50 -7.743 -6.795 -4.164 396 2HB GLU 50 1HB GLU 50 -8.484 -5.381 -3.433 397 1HG GLU 50 2HG GLU 50 -9.052 -7.275 -2.121 398 2HG GLU 50 1HG GLU 50 -10.506 -6.758 -2.976 399 H LYS 51 H LYS 51 -9.721 -3.488 -5.139 400 HA LYS 51 HA LYS 51 -12.522 -3.645 -4.385 401 1HB LYS 51 2HB LYS 51 -11.199 -1.977 -3.244 402 2HB LYS 51 1HB LYS 51 -10.586 -1.349 -4.766 403 1HG LYS 51 2HG LYS 51 -12.755 -0.473 -5.335 404 2HG LYS 51 1HG LYS 51 -13.466 -1.208 -3.896 405 1HD LYS 51 2HD LYS 51 -12.154 0.225 -2.465 406 2HD LYS 51 1HD LYS 51 -11.279 0.870 -3.855 407 1HE LYS 51 2HE LYS 51 -13.061 2.378 -3.009 408 2HE LYS 51 1HE LYS 51 -13.255 1.919 -4.699 409 1HZ LYS 51 1HZ LYS 51 -14.692 0.645 -2.428 410 2HZ LYS 51 2HZ LYS 51 -14.929 0.332 -4.079 411 3HZ LYS 51 3HZ LYS 51 -15.342 1.846 -3.436 412 H GLN 52 H GLN 52 -10.492 -3.369 -7.052 413 HA GLN 52 HA GLN 52 -12.234 -1.996 -8.849 414 1HB GLN 52 2HB GLN 52 -9.659 -2.467 -8.922 415 2HB GLN 52 1HB GLN 52 -10.148 -3.951 -9.727 416 1HG GLN 52 2HG GLN 52 -9.617 -2.361 -11.407 417 2HG GLN 52 1HG GLN 52 -11.367 -2.572 -11.404 418 1HE2 GLN 52 1HE2 GLN 52 -11.738 -0.571 -12.358 419 2HE2 GLN 52 2HE2 GLN 52 -11.509 0.918 -11.511 420 H SER 53 H SER 53 -11.186 -5.392 -8.781 421 HA SER 53 HA SER 53 -13.462 -6.216 -10.356 422 1HB SER 53 2HB SER 53 -11.227 -7.267 -10.648 423 2HB SER 53 1HB SER 53 -11.327 -7.899 -9.008 424 HG SER 53 HG SER 53 -12.493 -8.814 -11.318 425 H GLY 54 H GLY 54 -13.063 -5.465 -7.177 426 1HA GLY 54 2HA GLY 54 -14.569 -7.602 -5.979 427 2HA GLY 54 1HA GLY 54 -14.088 -6.101 -5.204 428 H LEU 55 H LEU 55 -15.332 -4.609 -7.511 429 HA LEU 55 HA LEU 55 -17.955 -4.429 -6.315 430 1HB LEU 55 2HB LEU 55 -16.610 -2.433 -6.984 431 2HB LEU 55 1HB LEU 55 -16.816 -2.907 -8.660 432 HG LEU 55 HG LEU 55 -19.251 -2.624 -8.437 433 1HD1 LEU 55 1HD1 LEU 55 -18.589 -1.639 -5.666 434 2HD1 LEU 55 2HD1 LEU 55 -19.446 -3.128 -6.060 435 3HD1 LEU 55 3HD1 LEU 55 -20.172 -1.566 -6.441 436 1HD2 LEU 55 1HD2 LEU 55 -19.260 -0.190 -8.306 437 2HD2 LEU 55 2HD2 LEU 55 -17.861 -0.762 -9.214 438 3HD2 LEU 55 3HD2 LEU 55 -17.668 -0.214 -7.550 439 H TYR 56 H TYR 56 -17.153 -4.274 -9.739 440 HA TYR 56 HA TYR 56 -18.412 -6.663 -10.524 441 1HB TYR 56 2HB TYR 56 -20.402 -5.163 -9.802 442 2HB TYR 56 1HB TYR 56 -20.062 -4.252 -11.269 443 HD1 TYR 56 HD1 TYR 56 -20.796 -7.707 -10.079 444 HD2 TYR 56 HD2 TYR 56 -20.999 -4.941 -13.305 445 HE1 TYR 56 HE1 TYR 56 -22.126 -9.321 -11.374 446 HE2 TYR 56 HE2 TYR 56 -22.334 -6.547 -14.607 447 HH TYR 56 HH TYR 56 -23.778 -9.267 -13.255 448 H LYS 57 H LYS 57 -16.011 -5.501 -11.024 449 HA LYS 57 HA LYS 57 -16.074 -4.254 -13.648 450 1HB LYS 57 2HB LYS 57 -14.273 -4.259 -11.498 451 2HB LYS 57 1HB LYS 57 -13.459 -5.142 -12.781 452 1HG LYS 57 2HG LYS 57 -14.617 -2.373 -13.018 453 2HG LYS 57 1HG LYS 57 -12.909 -2.766 -12.818 454 1HD LYS 57 2HD LYS 57 -12.985 -4.013 -14.952 455 2HD LYS 57 1HD LYS 57 -14.670 -3.530 -15.150 456 1HE LYS 57 2HE LYS 57 -12.293 -1.681 -14.995 457 2HE LYS 57 1HE LYS 57 -13.192 -2.096 -16.454 458 1HZ LYS 57 1HZ LYS 57 -13.935 0.010 -15.658 459 2HZ LYS 57 2HZ LYS 57 -14.210 -0.598 -14.100 460 3HZ LYS 57 3HZ LYS 57 -15.180 -1.112 -15.393 461 H LEU 58 H LEU 58 -16.160 -7.324 -12.355 462 HA LEU 58 HA LEU 58 -16.196 -9.389 -13.257 463 1HB LEU 58 2HB LEU 58 -17.272 -8.393 -15.201 464 2HB LEU 58 1HB LEU 58 -15.711 -7.956 -15.861 465 HG LEU 58 HG LEU 58 -15.162 -10.382 -16.034 466 1HD1 LEU 58 1HD1 LEU 58 -16.663 -11.231 -14.325 467 2HD1 LEU 58 2HD1 LEU 58 -16.994 -11.999 -15.878 468 3HD1 LEU 58 3HD1 LEU 58 -18.058 -10.728 -15.279 469 1HD2 LEU 58 1HD2 LEU 58 -17.629 -9.438 -17.488 470 2HD2 LEU 58 2HD2 LEU 58 -16.622 -10.801 -17.971 471 3HD2 LEU 58 3HD2 LEU 58 -15.955 -9.171 -17.973 472 H GLU 59 H GLU 59 -13.837 -8.083 -15.534 473 HA GLU 59 HA GLU 59 -11.624 -9.300 -14.092 474 1HB GLU 59 2HB GLU 59 -12.631 -10.274 -16.760 475 2HB GLU 59 1HB GLU 59 -10.943 -10.460 -16.304 476 1HG GLU 59 2HG GLU 59 -13.180 -11.481 -14.585 477 2HG GLU 59 1HG GLU 59 -12.494 -12.433 -15.901 478 H HIS 60 H HIS 60 -9.620 -9.109 -15.803 479 HA HIS 60 HA HIS 60 -9.507 -6.298 -16.511 480 1HB HIS 60 2HB HIS 60 -7.462 -8.513 -16.498 481 2HB HIS 60 1HB HIS 60 -7.124 -6.952 -17.240 482 HD1 HIS 60 HD1 HIS 60 -6.709 -4.960 -15.682 483 HD2 HIS 60 HD2 HIS 60 -7.656 -8.478 -13.672 484 HE1 HIS 60 HE1 HIS 60 -6.178 -4.520 -13.271 485 HE2 HIS 60 HE2 HIS 60 -6.902 -6.597 -12.040 Start of MODEL 10 1 1H MET 1 1H MET 1 17.372 -8.144 15.254 2 2H MET 1 2H MET 1 15.851 -8.890 15.230 3 3H MET 1 3H MET 1 16.000 -7.257 14.798 4 HA MET 1 HA MET 1 17.215 -9.525 13.333 5 1HB MET 1 2HB MET 1 14.784 -9.553 13.124 6 2HB MET 1 1HB MET 1 14.777 -7.844 12.713 7 1HG MET 1 2HG MET 1 14.467 -9.219 10.748 8 2HG MET 1 1HG MET 1 15.975 -8.315 10.654 9 1HE MET 1 1HE MET 1 15.194 -10.830 8.808 10 2HE MET 1 2HE MET 1 16.744 -11.668 8.759 11 3HE MET 1 3HE MET 1 16.692 -9.910 8.644 12 H LYS 2 H LYS 2 19.045 -8.809 12.455 13 HA LYS 2 HA LYS 2 19.563 -6.046 11.964 14 1HB LYS 2 2HB LYS 2 21.654 -6.880 10.885 15 2HB LYS 2 1HB LYS 2 21.419 -7.471 12.522 16 1HG LYS 2 2HG LYS 2 20.526 -9.587 11.540 17 2HG LYS 2 1HG LYS 2 21.015 -8.979 9.955 18 1HD LYS 2 2HD LYS 2 23.326 -8.813 10.722 19 2HD LYS 2 1HD LYS 2 22.846 -9.389 12.320 20 1HE LYS 2 2HE LYS 2 22.674 -10.930 9.729 21 2HE LYS 2 1HE LYS 2 23.839 -11.191 11.027 22 1HZ LYS 2 1HZ LYS 2 22.202 -12.802 11.351 23 2HZ LYS 2 2HZ LYS 2 20.932 -11.727 11.027 24 3HZ LYS 2 3HZ LYS 2 21.800 -11.595 12.478 25 H ARG 3 H ARG 3 19.885 -5.034 9.932 26 HA ARG 3 HA ARG 3 18.971 -4.283 8.006 27 1HB ARG 3 2HB ARG 3 19.056 -7.224 7.319 28 2HB ARG 3 1HB ARG 3 18.588 -5.976 6.171 29 1HG ARG 3 2HG ARG 3 20.795 -4.904 6.495 30 2HG ARG 3 1HG ARG 3 21.258 -6.251 7.537 31 1HD ARG 3 2HD ARG 3 20.435 -6.473 4.642 32 2HD ARG 3 1HD ARG 3 22.092 -6.524 5.241 33 HE ARG 3 HE ARG 3 20.818 -8.491 6.629 34 1HH1 ARG 3 1HH1 ARG 3 21.291 -7.790 3.225 35 2HH1 ARG 3 2HH1 ARG 3 21.243 -9.460 2.749 36 1HH2 ARG 3 1HH2 ARG 3 20.710 -10.670 6.002 37 2HH2 ARG 3 2HH2 ARG 3 20.854 -11.098 4.322 38 H GLN 4 H GLN 4 17.238 -3.906 9.681 39 HA GLN 4 HA GLN 4 14.878 -5.557 9.531 40 1HB GLN 4 2HB GLN 4 13.948 -4.048 11.200 41 2HB GLN 4 1HB GLN 4 15.551 -4.582 11.669 42 1HG GLN 4 2HG GLN 4 14.949 -1.912 10.410 43 2HG GLN 4 1HG GLN 4 15.078 -2.192 12.144 44 1HE2 GLN 4 1HE2 GLN 4 17.092 -2.742 13.018 45 2HE2 GLN 4 2HE2 GLN 4 18.567 -2.356 12.192 46 H LYS 5 H LYS 5 15.786 -4.110 7.142 47 HA LYS 5 HA LYS 5 14.070 -1.980 6.510 48 1HB LYS 5 2HB LYS 5 15.166 -4.099 4.652 49 2HB LYS 5 1HB LYS 5 14.586 -2.506 4.185 50 1HG LYS 5 2HG LYS 5 16.407 -1.438 5.300 51 2HG LYS 5 1HG LYS 5 16.933 -2.967 6.014 52 1HD LYS 5 2HD LYS 5 18.329 -2.362 4.095 53 2HD LYS 5 1HD LYS 5 17.424 -3.842 3.781 54 1HE LYS 5 2HE LYS 5 15.748 -2.495 2.549 55 2HE LYS 5 1HE LYS 5 16.763 -1.073 2.781 56 1HZ LYS 5 1HZ LYS 5 17.487 -3.540 1.293 57 2HZ LYS 5 2HZ LYS 5 18.542 -2.239 1.572 58 3HZ LYS 5 3HZ LYS 5 17.152 -2.022 0.623 59 H ARG 6 H ARG 6 13.748 -5.473 6.243 60 HA ARG 6 HA ARG 6 11.345 -5.521 4.781 61 1HB ARG 6 2HB ARG 6 12.973 -7.443 5.203 62 2HB ARG 6 1HB ARG 6 12.191 -7.625 6.769 63 1HG ARG 6 2HG ARG 6 11.246 -9.197 5.209 64 2HG ARG 6 1HG ARG 6 10.037 -7.974 5.612 65 1HD ARG 6 2HD ARG 6 10.354 -6.853 3.553 66 2HD ARG 6 1HD ARG 6 11.795 -7.794 3.183 67 HE ARG 6 HE ARG 6 9.072 -8.950 3.261 68 1HH1 ARG 6 1HH1 ARG 6 12.273 -8.654 1.877 69 2HH1 ARG 6 2HH1 ARG 6 11.984 -9.794 0.599 70 1HH2 ARG 6 1HH2 ARG 6 8.683 -10.477 1.588 71 2HH2 ARG 6 2HH2 ARG 6 9.942 -10.845 0.450 72 H ASP 7 H ASP 7 12.022 -5.065 8.153 73 HA ASP 7 HA ASP 7 9.585 -5.678 9.337 74 1HB ASP 7 2HB ASP 7 11.453 -5.072 10.715 75 2HB ASP 7 1HB ASP 7 11.589 -3.501 9.945 76 H ARG 8 H ARG 8 10.679 -2.516 8.181 77 HA ARG 8 HA ARG 8 8.087 -1.366 8.593 78 1HB ARG 8 2HB ARG 8 9.087 0.702 8.026 79 2HB ARG 8 1HB ARG 8 10.314 -0.198 8.909 80 1HG ARG 8 2HG ARG 8 11.314 -0.854 6.723 81 2HG ARG 8 1HG ARG 8 10.164 0.223 5.934 82 1HD ARG 8 2HD ARG 8 12.305 0.988 7.913 83 2HD ARG 8 1HD ARG 8 12.262 1.370 6.193 84 HE ARG 8 HE ARG 8 10.096 2.376 7.882 85 1HH1 ARG 8 1HH1 ARG 8 12.995 2.997 6.036 86 2HH1 ARG 8 2HH1 ARG 8 12.779 4.718 6.026 87 1HH2 ARG 8 1HH2 ARG 8 9.808 4.638 7.892 88 2HH2 ARG 8 2HH2 ARG 8 10.974 5.664 7.091 89 H LEU 9 H LEU 9 9.724 -2.914 6.006 90 HA LEU 9 HA LEU 9 8.133 -1.721 3.923 91 1HB LEU 9 2HB LEU 9 10.224 -3.847 4.030 92 2HB LEU 9 1HB LEU 9 9.231 -3.679 2.595 93 HG LEU 9 HG LEU 9 10.969 -1.511 3.786 94 1HD1 LEU 9 1HD1 LEU 9 12.230 -3.357 2.733 95 2HD1 LEU 9 2HD1 LEU 9 12.390 -1.834 1.860 96 3HD1 LEU 9 3HD1 LEU 9 11.321 -3.093 1.243 97 1HD2 LEU 9 1HD2 LEU 9 9.001 -0.590 2.729 98 2HD2 LEU 9 2HD2 LEU 9 9.289 -1.566 1.287 99 3HD2 LEU 9 3HD2 LEU 9 10.424 -0.290 1.729 100 H GLU 10 H GLU 10 8.274 -4.916 5.485 101 HA GLU 10 HA GLU 10 6.118 -6.025 4.014 102 1HB GLU 10 2HB GLU 10 7.883 -7.209 5.481 103 2HB GLU 10 1HB GLU 10 6.837 -6.805 6.834 104 1HG GLU 10 2HG GLU 10 6.400 -9.048 6.120 105 2HG GLU 10 1HG GLU 10 5.004 -8.035 5.748 106 H ARG 11 H ARG 11 6.383 -4.062 6.840 107 HA ARG 11 HA ARG 11 3.638 -4.275 7.628 108 1HB ARG 11 2HB ARG 11 5.254 -3.834 9.333 109 2HB ARG 11 1HB ARG 11 5.898 -2.458 8.457 110 1HG ARG 11 2HG ARG 11 4.163 -1.083 9.074 111 2HG ARG 11 1HG ARG 11 3.054 -2.430 9.340 112 1HD ARG 11 2HD ARG 11 3.878 -1.264 11.419 113 2HD ARG 11 1HD ARG 11 4.093 -3.012 11.379 114 HE ARG 11 HE ARG 11 6.464 -2.182 10.489 115 1HH1 ARG 11 1HH1 ARG 11 4.524 -1.017 13.156 116 2HH1 ARG 11 2HH1 ARG 11 5.896 -0.668 14.169 117 1HH2 ARG 11 1HH2 ARG 11 8.289 -1.696 11.811 118 2HH2 ARG 11 2HH2 ARG 11 8.028 -1.009 13.388 119 H ALA 12 H ALA 12 5.613 -2.039 5.754 120 HA ALA 12 HA ALA 12 3.615 -0.119 5.235 121 1HB ALA 12 1HB ALA 12 5.992 0.281 4.760 122 2HB ALA 12 2HB ALA 12 4.986 0.560 3.339 123 3HB ALA 12 3HB ALA 12 5.934 -0.923 3.471 124 H GLN 13 H GLN 13 4.309 -3.265 3.926 125 HA GLN 13 HA GLN 13 2.720 -3.023 1.575 126 1HB GLN 13 2HB GLN 13 4.512 -4.783 2.123 127 2HB GLN 13 1HB GLN 13 3.268 -5.592 3.061 128 1HG GLN 13 2HG GLN 13 2.674 -4.898 0.232 129 2HG GLN 13 1HG GLN 13 3.771 -6.238 0.562 130 1HE2 GLN 13 1HE2 GLN 13 3.000 -8.064 1.593 131 2HE2 GLN 13 2HE2 GLN 13 1.308 -8.418 1.689 132 H SER 14 H SER 14 2.102 -4.324 4.817 133 HA SER 14 HA SER 14 -0.645 -4.856 4.422 134 1HB SER 14 2HB SER 14 0.627 -5.833 6.281 135 2HB SER 14 1HB SER 14 0.867 -4.231 6.977 136 HG SER 14 HG SER 14 -0.998 -5.746 7.668 137 H GLN 15 H GLN 15 1.101 -2.061 5.736 138 HA GLN 15 HA GLN 15 -1.109 -0.480 6.387 139 1HB GLN 15 2HB GLN 15 1.202 0.019 7.090 140 2HB GLN 15 1HB GLN 15 1.615 0.423 5.432 141 1HG GLN 15 2HG GLN 15 1.235 2.407 6.805 142 2HG GLN 15 1HG GLN 15 0.103 2.296 5.459 143 1HE2 GLN 15 1HE2 GLN 15 -1.413 3.607 6.424 144 2HE2 GLN 15 2HE2 GLN 15 -2.360 3.110 7.779 145 H GLY 16 H GLY 16 0.709 -0.751 3.353 146 1HA GLY 16 2HA GLY 16 -0.652 1.253 1.927 147 2HA GLY 16 1HA GLY 16 0.199 -0.110 1.213 148 H TYR 17 H TYR 17 -1.293 -2.224 2.228 149 HA TYR 17 HA TYR 17 -3.456 -2.371 0.468 150 1HB TYR 17 2HB TYR 17 -2.234 -4.280 1.682 151 2HB TYR 17 1HB TYR 17 -3.299 -3.938 3.043 152 HD1 TYR 17 HD2 TYR 17 -5.758 -4.300 2.807 153 HD2 TYR 17 HD1 TYR 17 -3.011 -5.431 -0.243 154 HE1 TYR 17 HE2 TYR 17 -7.474 -5.736 1.795 155 HE2 TYR 17 HE1 TYR 17 -4.725 -6.865 -1.262 156 HH TYR 17 HH TYR 17 -6.752 -7.977 -0.726 157 H LYS 18 H LYS 18 -3.428 -1.817 3.979 158 HA LYS 18 HA LYS 18 -6.179 -1.286 4.264 159 1HB LYS 18 2HB LYS 18 -4.805 -1.773 6.192 160 2HB LYS 18 1HB LYS 18 -3.799 -0.365 5.890 161 1HG LYS 18 2HG LYS 18 -5.779 1.071 6.315 162 2HG LYS 18 1HG LYS 18 -6.681 -0.382 6.756 163 1HD LYS 18 2HD LYS 18 -5.137 -0.829 8.568 164 2HD LYS 18 1HD LYS 18 -4.140 0.550 8.096 165 1HE LYS 18 2HE LYS 18 -6.018 2.054 8.567 166 2HE LYS 18 1HE LYS 18 -6.994 0.671 9.066 167 1HZ LYS 18 1HZ LYS 18 -5.454 0.242 10.854 168 2HZ LYS 18 2HZ LYS 18 -5.995 1.844 10.954 169 3HZ LYS 18 3HZ LYS 18 -4.446 1.511 10.349 170 H ALA 19 H ALA 19 -3.458 0.748 3.392 171 HA ALA 19 HA ALA 19 -4.772 3.237 3.592 172 1HB ALA 19 1HB ALA 19 -2.943 4.107 2.227 173 2HB ALA 19 2HB ALA 19 -2.432 2.458 1.860 174 3HB ALA 19 3HB ALA 19 -2.350 3.061 3.517 175 H GLY 20 H GLY 20 -4.880 0.734 1.214 176 1HA GLY 20 2HA GLY 20 -5.919 2.252 -0.934 177 2HA GLY 20 1HA GLY 20 -6.151 0.534 -0.675 178 H LEU 21 H LEU 21 -7.431 0.592 1.783 179 HA LEU 21 HA LEU 21 -10.089 1.357 0.933 180 1HB LEU 21 2HB LEU 21 -9.155 -0.003 3.465 181 2HB LEU 21 1HB LEU 21 -10.826 0.248 3.021 182 HG LEU 21 HG LEU 21 -10.485 -1.969 2.480 183 1HD1 LEU 21 1HD1 LEU 21 -9.838 -0.496 -0.062 184 2HD1 LEU 21 2HD1 LEU 21 -11.449 -0.820 0.578 185 3HD1 LEU 21 3HD1 LEU 21 -10.423 -2.155 0.048 186 1HD2 LEU 21 1HD2 LEU 21 -8.510 -2.862 1.377 187 2HD2 LEU 21 2HD2 LEU 21 -8.089 -2.031 2.874 188 3HD2 LEU 21 3HD2 LEU 21 -7.805 -1.247 1.319 189 H ASN 22 H ASN 22 -7.858 2.117 3.575 190 HA ASN 22 HA ASN 22 -9.723 4.139 4.588 191 1HB ASN 22 2HB ASN 22 -7.428 2.624 5.758 192 2HB ASN 22 1HB ASN 22 -7.909 4.158 6.464 193 1HD2 ASN 22 1HD2 ASN 22 -10.189 1.966 4.995 194 2HD2 ASN 22 2HD2 ASN 22 -10.979 1.492 6.459 195 H GLY 23 H GLY 23 -6.437 3.811 3.325 196 1HA GLY 23 2HA GLY 23 -5.574 6.380 4.284 197 2HA GLY 23 1HA GLY 23 -4.718 5.357 3.137 198 H ARG 24 H ARG 24 -7.154 5.213 1.478 199 HA ARG 24 HA ARG 24 -8.139 6.208 -0.292 200 1HB ARG 24 2HB ARG 24 -8.991 7.849 1.253 201 2HB ARG 24 1HB ARG 24 -7.473 8.733 1.202 202 1HG ARG 24 2HG ARG 24 -7.886 9.185 -1.202 203 2HG ARG 24 1HG ARG 24 -9.467 8.419 -1.026 204 1HD ARG 24 2HD ARG 24 -9.497 10.910 -0.844 205 2HD ARG 24 1HD ARG 24 -10.169 10.066 0.551 206 HE ARG 24 HE ARG 24 -8.055 10.507 1.706 207 1HH1 ARG 24 1HH1 ARG 24 -8.835 12.423 -1.117 208 2HH1 ARG 24 2HH1 ARG 24 -7.784 13.732 -0.672 209 1HH2 ARG 24 1HH2 ARG 24 -6.675 12.220 2.295 210 2HH2 ARG 24 2HH2 ARG 24 -6.542 13.613 1.263 211 H SER 25 H SER 25 -5.377 8.356 0.457 212 HA SER 25 HA SER 25 -4.706 8.278 -2.409 213 1HB SER 25 2HB SER 25 -3.890 10.297 -0.310 214 2HB SER 25 1HB SER 25 -3.527 10.396 -2.028 215 HG SER 25 HG SER 25 -6.068 10.113 -2.021 216 H GLN 26 H GLN 26 -2.294 8.678 -2.835 217 HA GLN 26 HA GLN 26 -0.804 6.578 -1.454 218 1HB GLN 26 2HB GLN 26 0.098 8.209 -3.819 219 2HB GLN 26 1HB GLN 26 0.661 6.620 -3.323 220 1HG GLN 26 2HG GLN 26 -1.397 5.602 -3.960 221 2HG GLN 26 1HG GLN 26 -2.146 7.172 -4.241 222 1HE2 GLN 26 1HE2 GLN 26 1.127 6.511 -5.237 223 2HE2 GLN 26 2HE2 GLN 26 0.806 6.468 -6.935 224 H GLU 27 H GLU 27 -1.164 9.916 -1.408 225 HA GLU 27 HA GLU 27 1.433 10.757 -0.644 226 1HB GLU 27 2HB GLU 27 -0.435 12.230 -1.442 227 2HB GLU 27 1HB GLU 27 -1.229 11.987 0.107 228 1HG GLU 27 2HG GLU 27 -0.101 14.107 0.080 229 2HG GLU 27 1HG GLU 27 0.687 13.028 1.227 230 H ALA 28 H ALA 28 -0.748 8.760 0.868 231 HA ALA 28 HA ALA 28 -0.144 9.543 3.602 232 1HB ALA 28 1HB ALA 28 -2.409 8.835 3.071 233 2HB ALA 28 2HB ALA 28 -1.662 7.718 4.215 234 3HB ALA 28 3HB ALA 28 -1.805 7.274 2.516 235 H CYS 29 H CYS 29 1.928 8.435 1.699 236 HA CYS 29 HA CYS 29 2.651 5.965 3.100 237 1HB CYS 29 2HB CYS 29 2.670 5.830 0.659 238 2HB CYS 29 1HB CYS 29 3.769 7.200 0.565 239 HG CYS 29 HG CYS 29 5.429 5.165 0.006 240 HA PRO 30 HA PRO 30 5.551 8.832 5.146 241 1HB PRO 30 2HB PRO 30 5.133 8.060 7.635 242 2HB PRO 30 1HB PRO 30 3.866 8.938 6.766 243 1HG PRO 30 2HG PRO 30 4.098 6.009 7.328 244 2HG PRO 30 1HG PRO 30 2.666 7.053 7.390 245 1HD PRO 30 2HD PRO 30 3.397 5.413 5.243 246 2HD PRO 30 1HD PRO 30 2.236 6.750 5.181 247 H TYR 31 H TYR 31 6.373 6.246 3.869 248 HA TYR 31 HA TYR 31 8.155 5.205 5.971 249 1HB TYR 31 2HB TYR 31 6.954 3.828 3.574 250 2HB TYR 31 1HB TYR 31 8.293 3.141 4.488 251 HD1 TYR 31 HD2 TYR 31 7.975 2.490 6.847 252 HD2 TYR 31 HD1 TYR 31 4.716 3.778 4.433 253 HE1 TYR 31 HE2 TYR 31 6.404 1.533 8.476 254 HE2 TYR 31 HE1 TYR 31 3.135 2.817 6.052 255 HH TYR 31 HH TYR 31 3.997 1.936 9.155 256 H GLN 32 H GLN 32 8.344 4.912 2.434 257 HA GLN 32 HA GLN 32 10.909 6.269 2.388 258 1HB GLN 32 2HB GLN 32 11.391 3.947 3.197 259 2HB GLN 32 1HB GLN 32 10.691 3.320 1.716 260 1HG GLN 32 2HG GLN 32 12.491 3.924 0.441 261 2HG GLN 32 1HG GLN 32 12.948 5.248 1.515 262 1HE2 GLN 32 1HE2 GLN 32 15.081 4.561 1.561 263 2HE2 GLN 32 2HE2 GLN 32 15.578 3.162 2.447 264 H GLN 33 H GLN 33 11.795 5.576 -0.124 265 HA GLN 33 HA GLN 33 9.550 6.438 -1.760 266 1HB GLN 33 2HB GLN 33 12.466 6.370 -2.469 267 2HB GLN 33 1HB GLN 33 11.180 7.186 -3.325 268 1HG GLN 33 2HG GLN 33 10.898 8.748 -1.508 269 2HG GLN 33 1HG GLN 33 12.103 7.881 -0.556 270 1HE2 GLN 33 1HE2 GLN 33 13.757 7.409 -2.952 271 2HE2 GLN 33 2HE2 GLN 33 14.544 8.910 -3.287 272 H VAL 34 H VAL 34 12.440 4.571 -2.591 273 HA VAL 34 HA VAL 34 11.138 3.277 -4.742 274 HB VAL 34 HB VAL 34 13.763 2.666 -3.368 275 1HG1 VAL 34 1HG1 VAL 34 14.344 1.409 -5.379 276 2HG1 VAL 34 2HG1 VAL 34 12.722 1.673 -6.016 277 3HG1 VAL 34 3HG1 VAL 34 12.951 0.710 -4.556 278 1HG2 VAL 34 1HG2 VAL 34 13.657 4.888 -4.363 279 2HG2 VAL 34 2HG2 VAL 34 13.150 4.189 -5.900 280 3HG2 VAL 34 3HG2 VAL 34 14.758 3.847 -5.263 281 H ASP 35 H ASP 35 12.365 2.078 -1.661 282 HA ASP 35 HA ASP 35 11.553 -0.596 -1.965 283 1HB ASP 35 2HB ASP 35 11.885 0.952 0.620 284 2HB ASP 35 1HB ASP 35 11.941 -0.795 0.434 285 H ALA 36 H ALA 36 10.120 2.137 -0.325 286 HA ALA 36 HA ALA 36 7.810 0.864 0.631 287 1HB ALA 36 1HB ALA 36 8.624 2.929 1.567 288 2HB ALA 36 2HB ALA 36 6.980 3.161 0.962 289 3HB ALA 36 3HB ALA 36 8.360 3.771 0.032 290 H ARG 37 H ARG 37 8.570 2.363 -2.446 291 HA ARG 37 HA ARG 37 5.981 2.663 -3.455 292 1HB ARG 37 2HB ARG 37 8.128 3.494 -4.477 293 2HB ARG 37 1HB ARG 37 8.425 1.853 -5.031 294 1HG ARG 37 2HG ARG 37 6.348 1.949 -6.348 295 2HG ARG 37 1HG ARG 37 6.125 3.626 -5.829 296 1HD ARG 37 2HD ARG 37 8.371 4.136 -6.794 297 2HD ARG 37 1HD ARG 37 8.404 2.501 -7.451 298 HE ARG 37 HE ARG 37 6.071 4.001 -8.216 299 1HH1 ARG 37 1HH1 ARG 37 9.396 3.253 -8.996 300 2HH1 ARG 37 2HH1 ARG 37 9.276 3.787 -10.643 301 1HH2 ARG 37 1HH2 ARG 37 5.890 4.696 -10.395 302 2HH2 ARG 37 2HH2 ARG 37 7.269 4.584 -11.443 303 H SER 38 H SER 38 8.241 -0.068 -3.751 304 HA SER 38 HA SER 38 6.433 -1.645 -5.279 305 1HB SER 38 2HB SER 38 8.932 -2.456 -3.777 306 2HB SER 38 1HB SER 38 8.109 -3.419 -5.004 307 HG SER 38 HG SER 38 8.463 -1.522 -6.421 308 H TYR 39 H TYR 39 6.952 -1.206 -1.868 309 HA TYR 39 HA TYR 39 5.430 -3.617 -1.293 310 1HB TYR 39 2HB TYR 39 7.094 -1.798 0.409 311 2HB TYR 39 1HB TYR 39 5.960 -2.931 1.143 312 HD1 TYR 39 HD1 TYR 39 8.984 -2.682 -0.984 313 HD2 TYR 39 HD2 TYR 39 6.445 -5.255 1.258 314 HE1 TYR 39 HE1 TYR 39 10.635 -4.491 -1.200 315 HE2 TYR 39 HE2 TYR 39 8.088 -7.071 1.050 316 HH TYR 39 HH TYR 39 9.933 -7.719 -0.478 317 H TRP 40 H TRP 40 5.320 -0.193 -0.326 318 HA TRP 40 HA TRP 40 2.764 -0.454 0.904 319 1HB TRP 40 2HB TRP 40 4.505 1.227 1.557 320 2HB TRP 40 1HB TRP 40 4.192 2.075 0.050 321 HD1 TRP 40 HD1 TRP 40 2.836 1.581 3.544 322 HE1 TRP 40 HE1 TRP 40 0.873 3.200 3.930 323 HE3 TRP 40 HE3 TRP 40 2.220 3.283 -1.241 324 HZ2 TRP 40 HZ2 TRP 40 -0.714 4.967 2.420 325 HZ3 TRP 40 HZ3 TRP 40 0.455 4.939 -1.683 326 HH2 TRP 40 HH2 TRP 40 -0.982 5.761 0.116 327 H LEU 41 H LEU 41 3.875 1.062 -2.160 328 HA LEU 41 HA LEU 41 1.224 1.916 -2.856 329 1HB LEU 41 2HB LEU 41 3.671 2.694 -3.662 330 2HB LEU 41 1HB LEU 41 3.298 1.588 -4.966 331 HG LEU 41 HG LEU 41 1.689 4.032 -4.200 332 1HD1 LEU 41 1HD1 LEU 41 3.426 3.466 -6.600 333 2HD1 LEU 41 2HD1 LEU 41 3.827 4.542 -5.263 334 3HD1 LEU 41 3HD1 LEU 41 2.475 4.926 -6.327 335 1HD2 LEU 41 1HD2 LEU 41 0.259 2.237 -5.084 336 2HD2 LEU 41 2HD2 LEU 41 1.290 2.130 -6.510 337 3HD2 LEU 41 3HD2 LEU 41 0.372 3.602 -6.197 338 H GLY 42 H GLY 42 3.259 -0.839 -3.594 339 1HA GLY 42 2HA GLY 42 1.713 -2.038 -5.590 340 2HA GLY 42 1HA GLY 42 2.738 -2.904 -4.456 341 H GLY 43 H GLY 43 1.593 -2.569 -2.061 342 1HA GLY 43 2HA GLY 43 -0.704 -4.234 -2.151 343 2HA GLY 43 1HA GLY 43 -0.081 -3.412 -0.728 344 H TRP 44 H TRP 44 -0.252 -0.778 -1.868 345 HA TRP 44 HA TRP 44 -2.815 0.017 -1.118 346 1HB TRP 44 2HB TRP 44 -0.849 1.519 -1.212 347 2HB TRP 44 1HB TRP 44 -0.881 1.435 -2.969 348 HD1 TRP 44 HD1 TRP 44 -2.712 3.008 -0.013 349 HE1 TRP 44 HE1 TRP 44 -4.225 4.896 -0.889 350 HE3 TRP 44 HE3 TRP 44 -2.188 2.203 -5.035 351 HZ2 TRP 44 HZ2 TRP 44 -5.081 5.909 -3.388 352 HZ3 TRP 44 HZ3 TRP 44 -3.387 3.673 -6.602 353 HH2 TRP 44 HH2 TRP 44 -4.805 5.484 -5.789 354 H ARG 45 H ARG 45 -1.442 -0.234 -4.409 355 HA ARG 45 HA ARG 45 -3.959 0.323 -5.640 356 1HB ARG 45 2HB ARG 45 -1.638 0.732 -6.648 357 2HB ARG 45 1HB ARG 45 -1.613 -0.990 -7.015 358 1HG ARG 45 2HG ARG 45 -3.681 -0.721 -8.315 359 2HG ARG 45 1HG ARG 45 -3.655 1.008 -7.982 360 1HD ARG 45 2HD ARG 45 -1.379 1.052 -9.079 361 2HD ARG 45 1HD ARG 45 -1.698 -0.601 -9.607 362 HE ARG 45 HE ARG 45 -3.338 1.739 -10.371 363 1HH1 ARG 45 1HH1 ARG 45 -1.946 -1.401 -11.094 364 2HH1 ARG 45 2HH1 ARG 45 -2.618 -1.463 -12.699 365 1HH2 ARG 45 1HH2 ARG 45 -4.225 1.643 -12.484 366 2HH2 ARG 45 2HH2 ARG 45 -3.894 0.258 -13.482 367 H ASP 46 H ASP 46 -2.226 -2.535 -4.695 368 HA ASP 46 HA ASP 46 -3.557 -4.513 -6.123 369 1HB ASP 46 2HB ASP 46 -1.573 -4.906 -4.702 370 2HB ASP 46 1HB ASP 46 -2.550 -4.624 -3.269 371 H ALA 47 H ALA 47 -4.291 -3.353 -2.840 372 HA ALA 47 HA ALA 47 -6.665 -4.762 -2.474 373 1HB ALA 47 1HB ALA 47 -7.169 -3.145 -0.716 374 2HB ALA 47 2HB ALA 47 -5.913 -2.072 -1.333 375 3HB ALA 47 3HB ALA 47 -5.480 -3.643 -0.658 376 H ARG 48 H ARG 48 -6.172 -1.455 -3.665 377 HA ARG 48 HA ARG 48 -8.868 -0.789 -3.942 378 1HB ARG 48 2HB ARG 48 -6.414 0.236 -5.354 379 2HB ARG 48 1HB ARG 48 -8.019 0.884 -5.668 380 1HG ARG 48 2HG ARG 48 -8.179 1.343 -3.189 381 2HG ARG 48 1HG ARG 48 -6.458 0.965 -3.105 382 1HD ARG 48 2HD ARG 48 -6.830 3.368 -3.288 383 2HD ARG 48 1HD ARG 48 -5.975 2.742 -4.697 384 HE ARG 48 HE ARG 48 -8.281 2.754 -5.782 385 1HH1 ARG 48 1HH1 ARG 48 -7.293 5.039 -3.307 386 2HH1 ARG 48 2HH1 ARG 48 -8.378 6.286 -3.839 387 1HH2 ARG 48 1HH2 ARG 48 -9.706 4.399 -6.488 388 2HH2 ARG 48 2HH2 ARG 48 -9.763 5.911 -5.630 389 H ASP 49 H ASP 49 -6.609 -1.874 -6.486 390 HA ASP 49 HA ASP 49 -8.530 -1.781 -8.551 391 1HB ASP 49 2HB ASP 49 -6.008 -1.769 -8.784 392 2HB ASP 49 1HB ASP 49 -6.054 -3.509 -8.527 393 H GLU 50 H GLU 50 -7.914 -4.164 -6.157 394 HA GLU 50 HA GLU 50 -8.869 -6.388 -7.752 395 1HB GLU 50 2HB GLU 50 -7.010 -6.690 -6.145 396 2HB GLU 50 1HB GLU 50 -8.097 -6.278 -4.828 397 1HG GLU 50 2HG GLU 50 -9.456 -8.237 -5.322 398 2HG GLU 50 1HG GLU 50 -8.385 -8.650 -6.660 399 H LYS 51 H LYS 51 -9.996 -4.187 -5.311 400 HA LYS 51 HA LYS 51 -12.551 -5.625 -5.158 401 1HB LYS 51 2HB LYS 51 -11.415 -3.353 -3.519 402 2HB LYS 51 1HB LYS 51 -13.042 -3.998 -3.311 403 1HG LYS 51 2HG LYS 51 -12.155 -6.153 -2.727 404 2HG LYS 51 1HG LYS 51 -10.514 -5.609 -3.050 405 1HD LYS 51 2HD LYS 51 -10.573 -4.101 -1.197 406 2HD LYS 51 1HD LYS 51 -12.298 -4.388 -0.954 407 1HE LYS 51 2HE LYS 51 -10.805 -5.598 0.652 408 2HE LYS 51 1HE LYS 51 -11.908 -6.635 -0.250 409 1HZ LYS 51 1HZ LYS 51 -9.022 -6.224 -0.833 410 2HZ LYS 51 2HZ LYS 51 -10.078 -7.158 -1.772 411 3HZ LYS 51 3HZ LYS 51 -9.725 -7.618 -0.181 412 H GLN 52 H GLN 52 -10.965 -3.337 -6.835 413 HA GLN 52 HA GLN 52 -13.209 -1.590 -7.397 414 1HB GLN 52 2HB GLN 52 -10.941 -0.713 -7.400 415 2HB GLN 52 1HB GLN 52 -10.472 -1.855 -8.643 416 1HG GLN 52 2HG GLN 52 -12.667 0.066 -9.220 417 2HG GLN 52 1HG GLN 52 -11.002 0.645 -9.216 418 1HE2 GLN 52 1HE2 GLN 52 -12.815 0.510 -11.444 419 2HE2 GLN 52 2HE2 GLN 52 -12.067 -0.523 -12.622 420 H SER 53 H SER 53 -11.491 -4.230 -8.988 421 HA SER 53 HA SER 53 -13.468 -4.205 -11.145 422 1HB SER 53 2HB SER 53 -11.898 -5.863 -12.210 423 2HB SER 53 1HB SER 53 -11.218 -4.258 -11.946 424 HG SER 53 HG SER 53 -10.005 -5.018 -10.294 425 H GLY 54 H GLY 54 -13.357 -5.443 -8.196 426 1HA GLY 54 2HA GLY 54 -13.712 -8.185 -8.329 427 2HA GLY 54 1HA GLY 54 -14.478 -7.145 -7.137 428 H LEU 55 H LEU 55 -16.126 -5.639 -8.786 429 HA LEU 55 HA LEU 55 -17.812 -7.648 -10.120 430 1HB LEU 55 2HB LEU 55 -18.848 -6.682 -8.067 431 2HB LEU 55 1HB LEU 55 -18.734 -5.092 -8.798 432 HG LEU 55 HG LEU 55 -20.242 -5.836 -10.610 433 1HD1 LEU 55 1HD1 LEU 55 -19.745 -8.213 -10.582 434 2HD1 LEU 55 2HD1 LEU 55 -21.472 -7.945 -10.339 435 3HD1 LEU 55 3HD1 LEU 55 -20.442 -8.358 -8.968 436 1HD2 LEU 55 1HD2 LEU 55 -21.148 -4.688 -8.668 437 2HD2 LEU 55 2HD2 LEU 55 -21.314 -6.226 -7.822 438 3HD2 LEU 55 3HD2 LEU 55 -22.280 -5.904 -9.262 439 H TYR 56 H TYR 56 -17.306 -4.137 -9.986 440 HA TYR 56 HA TYR 56 -16.691 -2.605 -11.546 441 1HB TYR 56 2HB TYR 56 -14.883 -4.147 -12.033 442 2HB TYR 56 1HB TYR 56 -15.923 -5.089 -13.090 443 HD1 TYR 56 HD1 TYR 56 -14.020 -1.954 -12.755 444 HD2 TYR 56 HD2 TYR 56 -16.359 -4.391 -15.343 445 HE1 TYR 56 HE1 TYR 56 -13.258 -0.628 -14.681 446 HE2 TYR 56 HE2 TYR 56 -15.600 -3.074 -17.278 447 HH TYR 56 HH TYR 56 -14.723 -0.785 -17.717 448 H LYS 57 H LYS 57 -19.263 -4.607 -11.947 449 HA LYS 57 HA LYS 57 -21.084 -4.739 -13.294 450 1HB LYS 57 2HB LYS 57 -20.061 -2.162 -14.498 451 2HB LYS 57 1HB LYS 57 -21.648 -2.857 -14.788 452 1HG LYS 57 2HG LYS 57 -22.188 -2.584 -12.409 453 2HG LYS 57 1HG LYS 57 -20.603 -1.845 -12.155 454 1HD LYS 57 2HD LYS 57 -21.191 -0.093 -13.789 455 2HD LYS 57 1HD LYS 57 -22.793 -0.813 -13.955 456 1HE LYS 57 2HE LYS 57 -21.611 0.303 -11.421 457 2HE LYS 57 1HE LYS 57 -22.806 1.106 -12.436 458 1HZ LYS 57 1HZ LYS 57 -24.142 -1.069 -12.004 459 2HZ LYS 57 2HZ LYS 57 -24.118 0.164 -10.844 460 3HZ LYS 57 3HZ LYS 57 -23.129 -1.200 -10.645 461 H LEU 58 H LEU 58 -18.457 -5.803 -13.908 462 HA LEU 58 HA LEU 58 -17.876 -5.593 -16.675 463 1HB LEU 58 2HB LEU 58 -16.325 -6.234 -14.764 464 2HB LEU 58 1HB LEU 58 -17.085 -7.810 -14.792 465 HG LEU 58 HG LEU 58 -15.700 -6.679 -17.221 466 1HD1 LEU 58 1HD1 LEU 58 -14.115 -6.693 -15.361 467 2HD1 LEU 58 2HD1 LEU 58 -13.729 -7.951 -16.534 468 3HD1 LEU 58 3HD1 LEU 58 -14.525 -8.374 -15.019 469 1HD2 LEU 58 1HD2 LEU 58 -16.307 -9.509 -16.346 470 2HD2 LEU 58 2HD2 LEU 58 -15.530 -9.027 -17.854 471 3HD2 LEU 58 3HD2 LEU 58 -17.214 -8.599 -17.556 472 H GLU 59 H GLU 59 -19.174 -8.283 -14.757 473 HA GLU 59 HA GLU 59 -19.683 -9.881 -17.051 474 1HB GLU 59 2HB GLU 59 -19.764 -10.196 -14.195 475 2HB GLU 59 1HB GLU 59 -21.214 -10.874 -14.918 476 1HG GLU 59 2HG GLU 59 -18.382 -11.566 -15.661 477 2HG GLU 59 1HG GLU 59 -19.481 -12.555 -14.697 478 H HIS 60 H HIS 60 -21.713 -10.661 -17.780 479 HA HIS 60 HA HIS 60 -23.752 -8.546 -17.644 480 1HB HIS 60 2HB HIS 60 -24.504 -9.341 -19.871 481 2HB HIS 60 1HB HIS 60 -22.845 -8.761 -19.870 482 HD1 HIS 60 HD1 HIS 60 -24.921 -11.738 -20.589 483 HD2 HIS 60 HD2 HIS 60 -20.882 -10.835 -20.139 484 HE1 HIS 60 HE1 HIS 60 -23.667 -13.677 -21.587 485 HE2 HIS 60 HE2 HIS 60 -21.241 -13.009 -21.483 Start of MODEL 11 1 1H MET 1 1H MET 1 22.844 -7.672 4.126 2 2H MET 1 2H MET 1 22.004 -8.517 5.327 3 3H MET 1 3H MET 1 22.669 -6.995 5.667 4 HA MET 1 HA MET 1 21.195 -5.964 4.073 5 1HB MET 1 2HB MET 1 19.276 -7.294 3.210 6 2HB MET 1 1HB MET 1 20.827 -7.789 2.555 7 1HG MET 1 2HG MET 1 19.634 -9.766 2.978 8 2HG MET 1 1HG MET 1 20.831 -9.639 4.263 9 1HE MET 1 1HE MET 1 18.258 -11.588 4.331 10 2HE MET 1 2HE MET 1 17.760 -11.385 6.011 11 3HE MET 1 3HE MET 1 19.473 -11.520 5.607 12 H LYS 2 H LYS 2 21.311 -7.554 6.955 13 HA LYS 2 HA LYS 2 18.555 -7.204 7.740 14 1HB LYS 2 2HB LYS 2 20.114 -9.050 8.554 15 2HB LYS 2 1HB LYS 2 20.888 -7.825 9.551 16 1HG LYS 2 2HG LYS 2 18.745 -7.404 10.670 17 2HG LYS 2 1HG LYS 2 18.002 -8.675 9.696 18 1HD LYS 2 2HD LYS 2 19.721 -10.254 10.623 19 2HD LYS 2 1HD LYS 2 20.199 -8.970 11.734 20 1HE LYS 2 2HE LYS 2 18.666 -10.421 12.867 21 2HE LYS 2 1HE LYS 2 17.856 -8.887 12.553 22 1HZ LYS 2 1HZ LYS 2 17.551 -11.357 10.925 23 2HZ LYS 2 2HZ LYS 2 16.747 -9.891 10.659 24 3HZ LYS 2 3HZ LYS 2 16.431 -10.784 12.064 25 H ARG 3 H ARG 3 18.284 -4.985 7.415 26 HA ARG 3 HA ARG 3 19.641 -3.261 9.386 27 1HB ARG 3 2HB ARG 3 20.052 -2.796 6.933 28 2HB ARG 3 1HB ARG 3 18.349 -2.395 6.795 29 1HG ARG 3 2HG ARG 3 19.609 -0.377 6.978 30 2HG ARG 3 1HG ARG 3 18.681 -0.596 8.463 31 1HD ARG 3 2HD ARG 3 21.531 -1.508 8.239 32 2HD ARG 3 1HD ARG 3 21.134 0.156 8.652 33 HE ARG 3 HE ARG 3 19.779 -0.958 10.534 34 1HH1 ARG 3 1HH1 ARG 3 22.784 -2.200 9.232 35 2HH1 ARG 3 2HH1 ARG 3 23.274 -2.957 10.718 36 1HH2 ARG 3 1HH2 ARG 3 20.435 -1.942 12.511 37 2HH2 ARG 3 2HH2 ARG 3 21.951 -2.792 12.569 38 H GLN 4 H GLN 4 16.955 -4.932 9.031 39 HA GLN 4 HA GLN 4 14.885 -4.902 9.948 40 1HB GLN 4 2HB GLN 4 15.883 -2.426 11.360 41 2HB GLN 4 1HB GLN 4 14.408 -3.294 11.763 42 1HG GLN 4 2HG GLN 4 17.214 -4.375 11.939 43 2HG GLN 4 1HG GLN 4 16.197 -3.872 13.290 44 1HE2 GLN 4 1HE2 GLN 4 14.449 -5.146 13.887 45 2HE2 GLN 4 2HE2 GLN 4 14.309 -6.799 13.392 46 H LYS 5 H LYS 5 15.757 -3.017 7.602 47 HA LYS 5 HA LYS 5 13.611 -1.102 7.582 48 1HB LYS 5 2HB LYS 5 14.396 -0.595 5.280 49 2HB LYS 5 1HB LYS 5 15.661 -0.468 6.491 50 1HG LYS 5 2HG LYS 5 16.580 -2.593 5.815 51 2HG LYS 5 1HG LYS 5 15.254 -2.834 4.677 52 1HD LYS 5 2HD LYS 5 15.970 -0.872 3.412 53 2HD LYS 5 1HD LYS 5 17.282 -0.604 4.561 54 1HE LYS 5 2HE LYS 5 18.265 -2.754 3.949 55 2HE LYS 5 1HE LYS 5 16.939 -3.045 2.819 56 1HZ LYS 5 1HZ LYS 5 17.627 -1.160 1.525 57 2HZ LYS 5 2HZ LYS 5 18.958 -2.193 1.735 58 3HZ LYS 5 3HZ LYS 5 18.834 -0.766 2.649 59 H ARG 6 H ARG 6 14.270 -4.255 6.203 60 HA ARG 6 HA ARG 6 12.101 -4.348 4.407 61 1HB ARG 6 2HB ARG 6 13.785 -5.955 4.047 62 2HB ARG 6 1HB ARG 6 13.781 -6.468 5.729 63 1HG ARG 6 2HG ARG 6 11.698 -7.597 5.453 64 2HG ARG 6 1HG ARG 6 11.477 -6.910 3.844 65 1HD ARG 6 2HD ARG 6 13.073 -8.296 2.897 66 2HD ARG 6 1HD ARG 6 13.882 -8.585 4.437 67 HE ARG 6 HE ARG 6 12.554 -10.404 4.702 68 1HH1 ARG 6 1HH1 ARG 6 10.900 -8.237 2.479 69 2HH1 ARG 6 2HH1 ARG 6 9.509 -9.268 2.328 70 1HH2 ARG 6 1HH2 ARG 6 10.729 -11.727 4.508 71 2HH2 ARG 6 2HH2 ARG 6 9.410 -11.234 3.485 72 H ASP 7 H ASP 7 12.400 -5.127 7.819 73 HA ASP 7 HA ASP 7 10.011 -6.442 8.294 74 1HB ASP 7 2HB ASP 7 11.444 -4.425 10.033 75 2HB ASP 7 1HB ASP 7 10.140 -5.465 10.593 76 H ARG 8 H ARG 8 10.631 -2.950 8.476 77 HA ARG 8 HA ARG 8 7.909 -2.299 8.962 78 1HB ARG 8 2HB ARG 8 8.619 -0.142 9.192 79 2HB ARG 8 1HB ARG 8 10.163 -0.955 9.390 80 1HG ARG 8 2HG ARG 8 10.462 -0.601 6.870 81 2HG ARG 8 1HG ARG 8 9.125 0.543 7.012 82 1HD ARG 8 2HD ARG 8 10.488 1.592 8.915 83 2HD ARG 8 1HD ARG 8 11.841 0.656 8.284 84 HE ARG 8 HE ARG 8 10.892 3.101 7.280 85 1HH1 ARG 8 1HH1 ARG 8 11.880 -0.031 6.001 86 2HH1 ARG 8 2HH1 ARG 8 12.499 0.647 4.530 87 1HH2 ARG 8 1HH2 ARG 8 11.732 3.961 5.371 88 2HH2 ARG 8 2HH2 ARG 8 12.426 2.904 4.177 89 H LEU 9 H LEU 9 9.742 -2.911 6.113 90 HA LEU 9 HA LEU 9 8.018 -1.448 4.345 91 1HB LEU 9 2HB LEU 9 10.333 -3.294 3.981 92 2HB LEU 9 1HB LEU 9 9.301 -2.931 2.611 93 HG LEU 9 HG LEU 9 10.756 -0.855 4.255 94 1HD1 LEU 9 1HD1 LEU 9 11.385 -1.987 1.534 95 2HD1 LEU 9 2HD1 LEU 9 12.319 -2.245 3.008 96 3HD1 LEU 9 3HD1 LEU 9 12.213 -0.633 2.303 97 1HD2 LEU 9 1HD2 LEU 9 9.198 -0.664 1.684 98 2HD2 LEU 9 2HD2 LEU 9 10.132 0.641 2.414 99 3HD2 LEU 9 3HD2 LEU 9 8.721 -0.006 3.249 100 H GLU 10 H GLU 10 8.451 -4.921 5.094 101 HA GLU 10 HA GLU 10 6.387 -5.709 3.290 102 1HB GLU 10 2HB GLU 10 8.216 -7.215 4.130 103 2HB GLU 10 1HB GLU 10 7.390 -7.257 5.684 104 1HG GLU 10 2HG GLU 10 5.496 -8.338 4.738 105 2HG GLU 10 1HG GLU 10 6.092 -8.079 3.101 106 H ARG 11 H ARG 11 6.473 -4.527 6.515 107 HA ARG 11 HA ARG 11 3.740 -5.214 7.121 108 1HB ARG 11 2HB ARG 11 5.776 -3.444 8.479 109 2HB ARG 11 1HB ARG 11 4.110 -3.561 9.040 110 1HG ARG 11 2HG ARG 11 4.369 -5.928 9.428 111 2HG ARG 11 1HG ARG 11 6.006 -5.886 8.778 112 1HD ARG 11 2HD ARG 11 5.953 -5.910 11.247 113 2HD ARG 11 1HD ARG 11 6.740 -4.476 10.592 114 HE ARG 11 HE ARG 11 4.312 -3.518 10.963 115 1HH1 ARG 11 1HH1 ARG 11 6.075 -5.698 13.069 116 2HH1 ARG 11 2HH1 ARG 11 5.422 -5.013 14.528 117 1HH2 ARG 11 1HH2 ARG 11 3.484 -2.601 12.895 118 2HH2 ARG 11 2HH2 ARG 11 3.952 -3.274 14.428 119 H ALA 12 H ALA 12 5.529 -2.540 5.803 120 HA ALA 12 HA ALA 12 3.443 -0.648 5.640 121 1HB ALA 12 1HB ALA 12 5.843 -0.129 5.232 122 2HB ALA 12 2HB ALA 12 4.774 0.460 3.960 123 3HB ALA 12 3HB ALA 12 5.731 -1.000 3.699 124 H GLN 13 H GLN 13 4.223 -3.503 3.839 125 HA GLN 13 HA GLN 13 2.660 -2.986 1.536 126 1HB GLN 13 2HB GLN 13 4.391 -4.805 1.805 127 2HB GLN 13 1HB GLN 13 3.222 -5.683 2.776 128 1HG GLN 13 2HG GLN 13 1.748 -5.924 0.922 129 2HG GLN 13 1HG GLN 13 2.731 -4.844 -0.068 130 1HE2 GLN 13 1HE2 GLN 13 4.080 -7.230 2.089 131 2HE2 GLN 13 2HE2 GLN 13 4.719 -8.270 0.862 132 H SER 14 H SER 14 1.953 -4.426 4.674 133 HA SER 14 HA SER 14 -0.804 -4.939 4.086 134 1HB SER 14 2HB SER 14 0.411 -6.211 5.818 135 2HB SER 14 1HB SER 14 0.625 -4.732 6.752 136 HG SER 14 HG SER 14 -1.836 -6.002 6.097 137 H GLN 15 H GLN 15 1.044 -2.358 5.632 138 HA GLN 15 HA GLN 15 -1.075 -0.762 6.531 139 1HB GLN 15 2HB GLN 15 1.259 -0.326 7.148 140 2HB GLN 15 1HB GLN 15 1.638 0.081 5.482 141 1HG GLN 15 2HG GLN 15 1.434 2.109 6.686 142 2HG GLN 15 1HG GLN 15 0.020 1.969 5.647 143 1HE2 GLN 15 1HE2 GLN 15 0.480 0.213 8.638 144 2HE2 GLN 15 2HE2 GLN 15 -0.783 0.997 9.518 145 H GLY 16 H GLY 16 0.598 -0.854 3.402 146 1HA GLY 16 2HA GLY 16 -0.879 1.211 2.166 147 2HA GLY 16 1HA GLY 16 0.014 -0.054 1.335 148 H TYR 17 H TYR 17 -1.449 -2.248 2.463 149 HA TYR 17 HA TYR 17 -3.583 -2.474 0.668 150 1HB TYR 17 2HB TYR 17 -2.342 -4.351 1.847 151 2HB TYR 17 1HB TYR 17 -3.326 -4.002 3.265 152 HD1 TYR 17 HD1 TYR 17 -5.723 -4.527 3.275 153 HD2 TYR 17 HD2 TYR 17 -3.291 -5.390 -0.109 154 HE1 TYR 17 HE1 TYR 17 -7.498 -5.967 2.371 155 HE2 TYR 17 HE2 TYR 17 -5.057 -6.834 -1.018 156 HH TYR 17 HH TYR 17 -6.974 -8.075 -0.292 157 H LYS 18 H LYS 18 -3.511 -1.670 4.111 158 HA LYS 18 HA LYS 18 -6.328 -1.201 4.333 159 1HB LYS 18 2HB LYS 18 -5.053 -1.778 6.303 160 2HB LYS 18 1HB LYS 18 -3.976 -0.413 6.062 161 1HG LYS 18 2HG LYS 18 -5.914 1.102 6.451 162 2HG LYS 18 1HG LYS 18 -6.879 -0.318 6.862 163 1HD LYS 18 2HD LYS 18 -4.326 0.503 8.249 164 2HD LYS 18 1HD LYS 18 -5.951 0.836 8.846 165 1HE LYS 18 2HE LYS 18 -6.404 -1.477 9.151 166 2HE LYS 18 1HE LYS 18 -4.948 -1.945 8.271 167 1HZ LYS 18 1HZ LYS 18 -3.587 -1.172 10.017 168 2HZ LYS 18 2HZ LYS 18 -4.808 -2.086 10.760 169 3HZ LYS 18 3HZ LYS 18 -4.872 -0.391 10.797 170 H ALA 19 H ALA 19 -3.567 0.668 3.390 171 HA ALA 19 HA ALA 19 -4.769 3.239 3.785 172 1HB ALA 19 1HB ALA 19 -2.335 2.491 2.173 173 2HB ALA 19 2HB ALA 19 -2.344 2.929 3.881 174 3HB ALA 19 3HB ALA 19 -2.801 4.119 2.664 175 H GLY 20 H GLY 20 -4.830 0.857 1.319 176 1HA GLY 20 2HA GLY 20 -5.640 2.558 -0.813 177 2HA GLY 20 1HA GLY 20 -5.892 0.825 -0.707 178 H LEU 21 H LEU 21 -7.208 1.225 1.938 179 HA LEU 21 HA LEU 21 -9.867 1.865 0.885 180 1HB LEU 21 2HB LEU 21 -9.726 0.811 3.606 181 2HB LEU 21 1HB LEU 21 -10.683 0.265 2.249 182 HG LEU 21 HG LEU 21 -7.785 -0.462 2.698 183 1HD1 LEU 21 1HD1 LEU 21 -10.290 -2.063 3.195 184 2HD1 LEU 21 2HD1 LEU 21 -9.208 -1.415 4.425 185 3HD1 LEU 21 3HD1 LEU 21 -8.636 -2.665 3.322 186 1HD2 LEU 21 1HD2 LEU 21 -8.215 -2.168 0.985 187 2HD2 LEU 21 2HD2 LEU 21 -8.395 -0.532 0.357 188 3HD2 LEU 21 3HD2 LEU 21 -9.827 -1.493 0.731 189 H ASN 22 H ASN 22 -7.770 2.426 3.661 190 HA ASN 22 HA ASN 22 -9.553 4.516 4.675 191 1HB ASN 22 2HB ASN 22 -8.854 2.706 6.156 192 2HB ASN 22 1HB ASN 22 -7.175 3.147 5.934 193 1HD2 ASN 22 1HD2 ASN 22 -10.117 3.842 7.576 194 2HD2 ASN 22 2HD2 ASN 22 -9.504 5.119 8.574 195 H GLY 23 H GLY 23 -6.335 4.001 3.400 196 1HA GLY 23 2HA GLY 23 -5.296 6.513 4.376 197 2HA GLY 23 1HA GLY 23 -4.499 5.416 3.253 198 H ARG 24 H ARG 24 -7.334 5.600 1.938 199 HA ARG 24 HA ARG 24 -8.333 6.692 0.216 200 1HB ARG 24 2HB ARG 24 -8.475 8.548 1.783 201 2HB ARG 24 1HB ARG 24 -6.868 9.079 1.324 202 1HG ARG 24 2HG ARG 24 -7.779 9.354 -1.023 203 2HG ARG 24 1HG ARG 24 -9.381 9.150 -0.307 204 1HD ARG 24 2HD ARG 24 -8.940 11.490 -0.445 205 2HD ARG 24 1HD ARG 24 -8.832 11.023 1.252 206 HE ARG 24 HE ARG 24 -6.491 11.491 -0.495 207 1HH1 ARG 24 1HH1 ARG 24 -7.987 11.462 2.679 208 2HH1 ARG 24 2HH1 ARG 24 -6.677 12.322 3.437 209 1HH2 ARG 24 1HH2 ARG 24 -4.774 12.641 0.514 210 2HH2 ARG 24 2HH2 ARG 24 -4.878 13.001 2.211 211 H SER 25 H SER 25 -5.154 8.291 0.362 212 HA SER 25 HA SER 25 -4.931 7.889 -2.548 213 1HB SER 25 2HB SER 25 -3.672 10.077 -0.874 214 2HB SER 25 1HB SER 25 -3.706 9.977 -2.635 215 HG SER 25 HG SER 25 -5.632 10.818 -2.627 216 H GLN 26 H GLN 26 -2.338 8.493 -3.022 217 HA GLN 26 HA GLN 26 -0.908 6.262 -1.727 218 1HB GLN 26 2HB GLN 26 -0.062 7.849 -4.159 219 2HB GLN 26 1HB GLN 26 0.595 6.318 -3.611 220 1HG GLN 26 2HG GLN 26 -1.454 5.182 -4.163 221 2HG GLN 26 1HG GLN 26 -2.213 6.708 -4.604 222 1HE2 GLN 26 1HE2 GLN 26 0.213 7.713 -5.925 223 2HE2 GLN 26 2HE2 GLN 26 0.300 6.854 -7.426 224 H GLU 27 H GLU 27 -1.218 9.568 -1.971 225 HA GLU 27 HA GLU 27 1.307 10.537 -1.263 226 1HB GLU 27 2HB GLU 27 -1.502 11.572 -0.940 227 2HB GLU 27 1HB GLU 27 -0.106 12.503 -0.463 228 1HG GLU 27 2HG GLU 27 -0.876 13.188 -2.644 229 2HG GLU 27 1HG GLU 27 0.725 12.469 -2.751 230 H ALA 28 H ALA 28 -0.919 8.719 0.509 231 HA ALA 28 HA ALA 28 -0.227 9.784 3.112 232 1HB ALA 28 1HB ALA 28 -2.499 8.997 2.709 233 2HB ALA 28 2HB ALA 28 -1.718 8.057 3.983 234 3HB ALA 28 3HB ALA 28 -1.882 7.380 2.363 235 H CYS 29 H CYS 29 1.609 8.176 1.107 236 HA CYS 29 HA CYS 29 2.451 5.964 2.764 237 1HB CYS 29 2HB CYS 29 2.573 5.771 0.326 238 2HB CYS 29 1HB CYS 29 3.666 7.146 0.253 239 HG CYS 29 HG CYS 29 5.879 5.904 0.888 240 HA PRO 30 HA PRO 30 4.942 8.945 5.052 241 1HB PRO 30 2HB PRO 30 5.235 7.475 7.279 242 2HB PRO 30 1HB PRO 30 3.714 8.288 6.889 243 1HG PRO 30 2HG PRO 30 4.479 5.419 6.507 244 2HG PRO 30 1HG PRO 30 2.962 6.097 7.127 245 1HD PRO 30 2HD PRO 30 3.274 5.240 4.553 246 2HD PRO 30 1HD PRO 30 2.150 6.523 5.027 247 H TYR 31 H TYR 31 5.793 5.664 4.220 248 HA TYR 31 HA TYR 31 8.500 5.986 5.294 249 1HB TYR 31 2HB TYR 31 7.264 3.532 4.032 250 2HB TYR 31 1HB TYR 31 8.763 3.609 4.944 251 HD1 TYR 31 HD1 TYR 31 8.544 4.385 7.428 252 HD2 TYR 31 HD2 TYR 31 5.314 2.904 5.088 253 HE1 TYR 31 HE1 TYR 31 7.331 3.799 9.484 254 HE2 TYR 31 HE2 TYR 31 4.092 2.319 7.141 255 HH TYR 31 HH TYR 31 5.026 3.427 10.215 256 H GLN 32 H GLN 32 10.175 6.453 4.007 257 HA GLN 32 HA GLN 32 11.648 6.423 2.290 258 1HB GLN 32 2HB GLN 32 11.495 4.092 3.127 259 2HB GLN 32 1HB GLN 32 10.394 3.723 1.819 260 1HG GLN 32 2HG GLN 32 12.049 3.759 0.228 261 2HG GLN 32 1HG GLN 32 13.084 4.825 1.182 262 1HE2 GLN 32 1HE2 GLN 32 14.840 3.427 0.881 263 2HE2 GLN 32 2HE2 GLN 32 14.971 1.940 1.751 264 H GLN 33 H GLN 33 12.032 5.848 -0.169 265 HA GLN 33 HA GLN 33 9.717 6.866 -1.636 266 1HB GLN 33 2HB GLN 33 11.616 8.268 -1.913 267 2HB GLN 33 1HB GLN 33 12.650 6.902 -2.302 268 1HG GLN 33 2HG GLN 33 12.120 8.168 -4.292 269 2HG GLN 33 1HG GLN 33 11.415 6.557 -4.380 270 1HE2 GLN 33 1HE2 GLN 33 10.086 9.193 -2.481 271 2HE2 GLN 33 2HE2 GLN 33 8.653 9.387 -3.425 272 H VAL 34 H VAL 34 12.434 4.797 -2.648 273 HA VAL 34 HA VAL 34 10.765 3.760 -4.733 274 HB VAL 34 HB VAL 34 13.568 2.983 -3.914 275 1HG1 VAL 34 1HG1 VAL 34 12.518 1.190 -5.146 276 2HG1 VAL 34 2HG1 VAL 34 13.727 1.989 -6.154 277 3HG1 VAL 34 3HG1 VAL 34 12.012 2.316 -6.406 278 1HG2 VAL 34 1HG2 VAL 34 14.251 4.349 -5.832 279 2HG2 VAL 34 2HG2 VAL 34 13.405 5.304 -4.613 280 3HG2 VAL 34 3HG2 VAL 34 12.571 4.817 -6.089 281 H ASP 35 H ASP 35 12.330 2.350 -1.894 282 HA ASP 35 HA ASP 35 11.431 -0.303 -2.427 283 1HB ASP 35 2HB ASP 35 12.358 0.932 0.181 284 2HB ASP 35 1HB ASP 35 12.152 -0.792 -0.109 285 H ALA 36 H ALA 36 10.255 2.397 -0.597 286 HA ALA 36 HA ALA 36 8.202 1.198 0.852 287 1HB ALA 36 1HB ALA 36 8.753 3.367 1.450 288 2HB ALA 36 2HB ALA 36 7.176 3.535 0.682 289 3HB ALA 36 3HB ALA 36 8.643 3.959 -0.206 290 H ARG 37 H ARG 37 8.084 2.825 -2.315 291 HA ARG 37 HA ARG 37 5.340 2.413 -2.709 292 1HB ARG 37 2HB ARG 37 7.529 2.802 -4.753 293 2HB ARG 37 1HB ARG 37 5.805 2.970 -5.067 294 1HG ARG 37 2HG ARG 37 5.633 4.849 -3.632 295 2HG ARG 37 1HG ARG 37 7.255 4.591 -2.993 296 1HD ARG 37 2HD ARG 37 7.859 6.148 -4.477 297 2HD ARG 37 1HD ARG 37 7.756 4.838 -5.650 298 HE ARG 37 HE ARG 37 5.663 5.674 -6.366 299 1HH1 ARG 37 1HH1 ARG 37 7.148 7.628 -3.878 300 2HH1 ARG 37 2HH1 ARG 37 6.285 9.072 -4.303 301 1HH2 ARG 37 1HH2 ARG 37 4.489 7.579 -6.929 302 2HH2 ARG 37 2HH2 ARG 37 4.790 9.054 -6.054 303 H SER 38 H SER 38 8.100 0.355 -3.326 304 HA SER 38 HA SER 38 6.792 -1.509 -5.015 305 1HB SER 38 2HB SER 38 9.166 -1.950 -3.184 306 2HB SER 38 1HB SER 38 8.700 -2.962 -4.551 307 HG SER 38 HG SER 38 10.414 -1.250 -4.836 308 H TYR 39 H TYR 39 7.046 -1.114 -1.545 309 HA TYR 39 HA TYR 39 5.644 -3.627 -1.128 310 1HB TYR 39 2HB TYR 39 7.043 -1.751 0.744 311 2HB TYR 39 1HB TYR 39 6.005 -3.047 1.331 312 HD1 TYR 39 HD2 TYR 39 6.610 -5.412 0.874 313 HD2 TYR 39 HD1 TYR 39 9.236 -2.203 -0.075 314 HE1 TYR 39 HE2 TYR 39 8.477 -6.999 0.696 315 HE2 TYR 39 HE1 TYR 39 11.111 -3.785 -0.256 316 HH TYR 39 HH TYR 39 10.694 -7.103 -0.486 317 H TRP 40 H TRP 40 5.343 -0.315 0.066 318 HA TRP 40 HA TRP 40 2.810 -0.640 1.222 319 1HB TRP 40 2HB TRP 40 4.422 1.138 1.806 320 2HB TRP 40 1HB TRP 40 4.157 1.889 0.243 321 HD1 TRP 40 HD1 TRP 40 2.644 1.551 3.699 322 HE1 TRP 40 HE1 TRP 40 0.665 3.181 3.918 323 HE3 TRP 40 HE3 TRP 40 2.255 3.035 -1.180 324 HZ2 TRP 40 HZ2 TRP 40 -0.851 4.873 2.257 325 HZ3 TRP 40 HZ3 TRP 40 0.513 4.663 -1.776 326 HH2 TRP 40 HH2 TRP 40 -1.009 5.561 -0.091 327 H LEU 41 H LEU 41 3.772 0.632 -1.982 328 HA LEU 41 HA LEU 41 1.024 1.289 -2.604 329 1HB LEU 41 2HB LEU 41 3.440 2.252 -3.446 330 2HB LEU 41 1HB LEU 41 2.990 1.230 -4.795 331 HG LEU 41 HG LEU 41 1.257 3.449 -3.703 332 1HD1 LEU 41 1HD1 LEU 41 3.278 4.391 -4.621 333 2HD1 LEU 41 2HD1 LEU 41 1.940 4.672 -5.737 334 3HD1 LEU 41 3HD1 LEU 41 3.120 3.401 -6.071 335 1HD2 LEU 41 1HD2 LEU 41 0.032 3.179 -5.808 336 2HD2 LEU 41 2HD2 LEU 41 0.003 1.699 -4.848 337 3HD2 LEU 41 3HD2 LEU 41 1.079 1.825 -6.241 338 H GLY 42 H GLY 42 3.138 -1.388 -2.918 339 1HA GLY 42 2HA GLY 42 1.911 -2.758 -5.060 340 2HA GLY 42 1HA GLY 42 2.817 -3.506 -3.749 341 H GLY 43 H GLY 43 1.369 -2.958 -1.545 342 1HA GLY 43 2HA GLY 43 -0.914 -4.656 -1.785 343 2HA GLY 43 1HA GLY 43 -0.441 -3.749 -0.354 344 H TRP 44 H TRP 44 -0.435 -1.184 -1.657 345 HA TRP 44 HA TRP 44 -3.052 -0.311 -1.268 346 1HB TRP 44 2HB TRP 44 -0.904 1.066 -1.351 347 2HB TRP 44 1HB TRP 44 -1.038 1.005 -3.103 348 HD1 TRP 44 HD1 TRP 44 -2.518 2.665 -0.036 349 HE1 TRP 44 HE1 TRP 44 -4.036 4.604 -0.775 350 HE3 TRP 44 HE3 TRP 44 -2.607 1.758 -5.078 351 HZ2 TRP 44 HZ2 TRP 44 -5.128 5.616 -3.171 352 HZ3 TRP 44 HZ3 TRP 44 -3.915 3.267 -6.516 353 HH2 TRP 44 HH2 TRP 44 -5.146 5.156 -5.576 354 H ARG 45 H ARG 45 -1.315 -0.907 -4.313 355 HA ARG 45 HA ARG 45 -3.493 -0.345 -6.007 356 1HB ARG 45 2HB ARG 45 -0.831 -1.614 -6.314 357 2HB ARG 45 1HB ARG 45 -2.021 -1.951 -7.564 358 1HG ARG 45 2HG ARG 45 -1.213 0.816 -6.696 359 2HG ARG 45 1HG ARG 45 -0.530 -0.039 -8.080 360 1HD ARG 45 2HD ARG 45 -3.421 0.736 -7.691 361 2HD ARG 45 1HD ARG 45 -2.281 1.475 -8.815 362 HE ARG 45 HE ARG 45 -2.234 -1.097 -9.585 363 1HH1 ARG 45 1HH1 ARG 45 -4.899 1.115 -8.992 364 2HH1 ARG 45 2HH1 ARG 45 -5.973 0.310 -10.098 365 1HH2 ARG 45 1HH2 ARG 45 -3.650 -2.142 -11.042 366 2HH2 ARG 45 2HH2 ARG 45 -5.266 -1.540 -11.254 367 H ASP 46 H ASP 46 -2.384 -3.345 -4.512 368 HA ASP 46 HA ASP 46 -4.006 -5.103 -5.999 369 1HB ASP 46 2HB ASP 46 -2.123 -5.867 -4.583 370 2HB ASP 46 1HB ASP 46 -3.047 -5.433 -3.147 371 H ALA 47 H ALA 47 -4.501 -3.814 -2.715 372 HA ALA 47 HA ALA 47 -7.065 -4.810 -2.297 373 1HB ALA 47 1HB ALA 47 -5.903 -2.226 -1.254 374 2HB ALA 47 2HB ALA 47 -5.711 -3.819 -0.521 375 3HB ALA 47 3HB ALA 47 -7.305 -3.072 -0.598 376 H ARG 48 H ARG 48 -6.020 -1.790 -3.772 377 HA ARG 48 HA ARG 48 -8.571 -0.632 -4.046 378 1HB ARG 48 2HB ARG 48 -6.224 0.435 -4.244 379 2HB ARG 48 1HB ARG 48 -6.278 -0.100 -5.915 380 1HG ARG 48 2HG ARG 48 -6.983 2.164 -5.859 381 2HG ARG 48 1HG ARG 48 -8.411 1.174 -6.170 382 1HD ARG 48 2HD ARG 48 -9.053 1.325 -3.835 383 2HD ARG 48 1HD ARG 48 -7.595 2.246 -3.471 384 HE ARG 48 HE ARG 48 -9.634 3.270 -5.345 385 1HH1 ARG 48 1HH1 ARG 48 -7.706 3.627 -2.443 386 2HH1 ARG 48 2HH1 ARG 48 -8.095 5.304 -2.242 387 1HH2 ARG 48 1HH2 ARG 48 -10.185 5.458 -5.044 388 2HH2 ARG 48 2HH2 ARG 48 -9.545 6.330 -3.682 389 H ASP 49 H ASP 49 -6.512 -2.236 -6.479 390 HA ASP 49 HA ASP 49 -8.349 -1.902 -8.601 391 1HB ASP 49 2HB ASP 49 -5.876 -2.222 -8.806 392 2HB ASP 49 1HB ASP 49 -6.110 -3.918 -8.404 393 H GLU 50 H GLU 50 -8.255 -4.211 -6.088 394 HA GLU 50 HA GLU 50 -9.543 -6.313 -7.650 395 1HB GLU 50 2HB GLU 50 -7.739 -6.989 -6.144 396 2HB GLU 50 1HB GLU 50 -8.576 -6.262 -4.782 397 1HG GLU 50 2HG GLU 50 -8.813 -8.676 -4.760 398 2HG GLU 50 1HG GLU 50 -10.374 -7.895 -5.001 399 H LYS 51 H LYS 51 -10.174 -4.004 -5.091 400 HA LYS 51 HA LYS 51 -12.858 -5.088 -4.695 401 1HB LYS 51 2HB LYS 51 -11.341 -2.851 -3.335 402 2HB LYS 51 1HB LYS 51 -13.012 -3.261 -2.963 403 1HG LYS 51 2HG LYS 51 -12.323 -5.498 -2.299 404 2HG LYS 51 1HG LYS 51 -10.649 -5.102 -2.674 405 1HD LYS 51 2HD LYS 51 -10.572 -3.467 -0.933 406 2HD LYS 51 1HD LYS 51 -12.309 -3.607 -0.654 407 1HE LYS 51 2HE LYS 51 -10.986 -4.788 1.054 408 2HE LYS 51 1HE LYS 51 -12.039 -5.874 0.147 409 1HZ LYS 51 1HZ LYS 51 -9.140 -5.500 -0.395 410 2HZ LYS 51 2HZ LYS 51 -10.168 -6.622 -1.139 411 3HZ LYS 51 3HZ LYS 51 -9.794 -6.776 0.506 412 H GLN 52 H GLN 52 -11.198 -3.034 -6.635 413 HA GLN 52 HA GLN 52 -13.462 -1.236 -7.139 414 1HB GLN 52 2HB GLN 52 -10.953 -0.579 -6.981 415 2HB GLN 52 1HB GLN 52 -10.850 -1.210 -8.616 416 1HG GLN 52 2HG GLN 52 -12.810 0.930 -7.828 417 2HG GLN 52 1HG GLN 52 -11.179 1.286 -8.391 418 1HE2 GLN 52 1HE2 GLN 52 -13.758 1.993 -9.549 419 2HE2 GLN 52 2HE2 GLN 52 -13.770 1.326 -11.150 420 H SER 53 H SER 53 -11.246 -3.192 -9.125 421 HA SER 53 HA SER 53 -13.215 -3.210 -11.261 422 1HB SER 53 2HB SER 53 -10.369 -4.235 -11.186 423 2HB SER 53 1HB SER 53 -11.393 -4.165 -12.622 424 HG SER 53 HG SER 53 -11.321 -1.776 -11.324 425 H GLY 54 H GLY 54 -12.865 -5.028 -8.612 426 1HA GLY 54 2HA GLY 54 -12.930 -7.687 -9.519 427 2HA GLY 54 1HA GLY 54 -13.638 -7.109 -8.018 428 H LEU 55 H LEU 55 -15.354 -5.203 -9.544 429 HA LEU 55 HA LEU 55 -17.305 -7.155 -10.558 430 1HB LEU 55 2HB LEU 55 -18.951 -5.265 -10.071 431 2HB LEU 55 1HB LEU 55 -18.333 -6.203 -8.721 432 HG LEU 55 HG LEU 55 -16.586 -4.274 -8.513 433 1HD1 LEU 55 1HD1 LEU 55 -18.796 -2.894 -10.034 434 2HD1 LEU 55 2HD1 LEU 55 -17.132 -3.116 -10.571 435 3HD1 LEU 55 3HD1 LEU 55 -17.478 -2.085 -9.183 436 1HD2 LEU 55 1HD2 LEU 55 -19.474 -3.890 -7.752 437 2HD2 LEU 55 2HD2 LEU 55 -18.087 -3.082 -7.019 438 3HD2 LEU 55 3HD2 LEU 55 -18.278 -4.827 -6.856 439 H TYR 56 H TYR 56 -15.092 -5.553 -11.893 440 HA TYR 56 HA TYR 56 -16.456 -3.801 -13.711 441 1HB TYR 56 2HB TYR 56 -13.997 -3.662 -13.073 442 2HB TYR 56 1HB TYR 56 -13.735 -5.060 -14.106 443 HD1 TYR 56 HD1 TYR 56 -15.037 -1.573 -14.159 444 HD2 TYR 56 HD2 TYR 56 -13.337 -4.770 -16.394 445 HE1 TYR 56 HE1 TYR 56 -14.779 -0.076 -16.093 446 HE2 TYR 56 HE2 TYR 56 -13.076 -3.281 -18.333 447 HH TYR 56 HH TYR 56 -13.236 0.019 -18.161 448 H LYS 57 H LYS 57 -17.990 -5.880 -13.765 449 HA LYS 57 HA LYS 57 -17.972 -6.731 -16.477 450 1HB LYS 57 2HB LYS 57 -17.782 -9.177 -16.088 451 2HB LYS 57 1HB LYS 57 -16.284 -8.315 -15.764 452 1HG LYS 57 2HG LYS 57 -16.763 -8.399 -13.366 453 2HG LYS 57 1HG LYS 57 -18.248 -9.289 -13.699 454 1HD LYS 57 2HD LYS 57 -16.498 -10.821 -13.033 455 2HD LYS 57 1HD LYS 57 -16.912 -11.083 -14.728 456 1HE LYS 57 2HE LYS 57 -14.956 -9.878 -15.442 457 2HE LYS 57 1HE LYS 57 -14.584 -9.415 -13.783 458 1HZ LYS 57 1HZ LYS 57 -14.647 -12.218 -14.758 459 2HZ LYS 57 2HZ LYS 57 -14.133 -11.679 -13.236 460 3HZ LYS 57 3HZ LYS 57 -13.235 -11.286 -14.619 461 H LEU 58 H LEU 58 -19.125 -7.215 -13.203 462 HA LEU 58 HA LEU 58 -21.859 -6.939 -13.991 463 1HB LEU 58 2HB LEU 58 -21.485 -9.310 -14.518 464 2HB LEU 58 1HB LEU 58 -20.929 -9.603 -12.889 465 HG LEU 58 HG LEU 58 -23.198 -9.035 -12.061 466 1HD1 LEU 58 1HD1 LEU 58 -23.878 -8.922 -14.998 467 2HD1 LEU 58 2HD1 LEU 58 -23.919 -7.576 -13.859 468 3HD1 LEU 58 3HD1 LEU 58 -25.046 -8.919 -13.675 469 1HD2 LEU 58 1HD2 LEU 58 -22.552 -11.354 -12.473 470 2HD2 LEU 58 2HD2 LEU 58 -23.114 -11.217 -14.140 471 3HD2 LEU 58 3HD2 LEU 58 -24.264 -11.092 -12.809 472 H GLU 59 H GLU 59 -23.258 -7.268 -11.976 473 HA GLU 59 HA GLU 59 -22.338 -5.496 -10.001 474 1HB GLU 59 2HB GLU 59 -24.714 -5.824 -10.510 475 2HB GLU 59 1HB GLU 59 -24.634 -7.459 -9.868 476 1HG GLU 59 2HG GLU 59 -24.022 -6.505 -7.665 477 2HG GLU 59 1HG GLU 59 -24.279 -4.896 -8.336 478 H HIS 60 H HIS 60 -22.348 -9.005 -10.138 479 HA HIS 60 HA HIS 60 -21.421 -9.110 -7.359 480 1HB HIS 60 2HB HIS 60 -22.525 -11.278 -9.151 481 2HB HIS 60 1HB HIS 60 -21.892 -11.563 -7.536 482 HD1 HIS 60 HD1 HIS 60 -24.858 -12.130 -8.399 483 HD2 HIS 60 HD2 HIS 60 -23.519 -8.744 -6.381 484 HE1 HIS 60 HE1 HIS 60 -26.881 -11.180 -7.241 485 HE2 HIS 60 HE2 HIS 60 -26.053 -9.124 -6.035 Start of MODEL 12 1 1H MET 1 1H MET 1 13.009 -5.452 21.622 2 2H MET 1 2H MET 1 14.614 -4.933 21.495 3 3H MET 1 3H MET 1 14.273 -6.584 21.659 4 HA MET 1 HA MET 1 14.856 -6.036 19.389 5 1HB MET 1 2HB MET 1 12.056 -6.929 20.005 6 2HB MET 1 1HB MET 1 12.615 -6.815 18.344 7 1HG MET 1 2HG MET 1 14.417 -8.385 18.835 8 2HG MET 1 1HG MET 1 13.858 -8.500 20.503 9 1HE MET 1 1HE MET 1 14.311 -10.904 18.314 10 2HE MET 1 2HE MET 1 12.960 -11.952 18.739 11 3HE MET 1 3HE MET 1 13.922 -11.195 20.008 12 H LYS 2 H LYS 2 15.194 -4.244 18.312 13 HA LYS 2 HA LYS 2 12.905 -2.673 17.416 14 1HB LYS 2 2HB LYS 2 15.286 -1.502 18.859 15 2HB LYS 2 1HB LYS 2 14.253 -0.545 17.808 16 1HG LYS 2 2HG LYS 2 12.606 -1.954 19.651 17 2HG LYS 2 1HG LYS 2 13.899 -1.151 20.542 18 1HD LYS 2 2HD LYS 2 11.972 0.318 20.341 19 2HD LYS 2 1HD LYS 2 13.330 0.967 19.419 20 1HE LYS 2 2HE LYS 2 12.376 0.099 17.364 21 2HE LYS 2 1HE LYS 2 11.047 -0.629 18.265 22 1HZ LYS 2 1HZ LYS 2 11.623 2.279 18.061 23 2HZ LYS 2 2HZ LYS 2 10.357 1.586 18.949 24 3HZ LYS 2 3HZ LYS 2 10.379 1.452 17.263 25 H ARG 3 H ARG 3 13.410 -1.359 15.553 26 HA ARG 3 HA ARG 3 14.389 -0.832 13.592 27 1HB ARG 3 2HB ARG 3 16.418 -0.313 14.837 28 2HB ARG 3 1HB ARG 3 16.900 -2.002 14.794 29 1HG ARG 3 2HG ARG 3 17.055 -1.882 12.346 30 2HG ARG 3 1HG ARG 3 16.613 -0.174 12.418 31 1HD ARG 3 2HD ARG 3 19.042 -1.431 13.687 32 2HD ARG 3 1HD ARG 3 19.029 -0.458 12.216 33 HE ARG 3 HE ARG 3 18.011 1.304 13.838 34 1HH1 ARG 3 1HH1 ARG 3 20.603 -0.945 14.496 35 2HH1 ARG 3 2HH1 ARG 3 21.326 0.038 15.733 36 1HH2 ARG 3 1HH2 ARG 3 18.932 2.606 15.455 37 2HH2 ARG 3 2HH2 ARG 3 20.380 2.081 16.269 38 H GLN 4 H GLN 4 13.019 -2.278 12.561 39 HA GLN 4 HA GLN 4 14.536 -4.438 11.266 40 1HB GLN 4 2HB GLN 4 11.548 -4.467 11.753 41 2HB GLN 4 1HB GLN 4 12.487 -5.717 10.957 42 1HG GLN 4 2HG GLN 4 12.404 -6.707 12.955 43 2HG GLN 4 1HG GLN 4 13.732 -5.615 13.350 44 1HE2 GLN 4 1HE2 GLN 4 10.334 -6.252 13.703 45 2HE2 GLN 4 2HE2 GLN 4 10.050 -5.138 15.001 46 H LYS 5 H LYS 5 15.042 -3.567 9.328 47 HA LYS 5 HA LYS 5 13.467 -1.420 8.259 48 1HB LYS 5 2HB LYS 5 15.088 -1.395 6.408 49 2HB LYS 5 1HB LYS 5 15.870 -1.358 7.980 50 1HG LYS 5 2HG LYS 5 16.584 -3.601 7.787 51 2HG LYS 5 1HG LYS 5 15.527 -3.893 6.400 52 1HD LYS 5 2HD LYS 5 16.829 -2.339 5.057 53 2HD LYS 5 1HD LYS 5 17.856 -1.974 6.444 54 1HE LYS 5 2HE LYS 5 17.562 -4.727 5.262 55 2HE LYS 5 1HE LYS 5 18.820 -3.590 4.780 56 1HZ LYS 5 1HZ LYS 5 19.831 -4.890 6.383 57 2HZ LYS 5 2HZ LYS 5 18.459 -4.962 7.372 58 3HZ LYS 5 3HZ LYS 5 19.356 -3.523 7.271 59 H ARG 6 H ARG 6 13.719 -4.840 7.643 60 HA ARG 6 HA ARG 6 12.293 -4.641 5.130 61 1HB ARG 6 2HB ARG 6 14.080 -6.337 5.511 62 2HB ARG 6 1HB ARG 6 13.048 -7.110 6.706 63 1HG ARG 6 2HG ARG 6 11.499 -7.794 5.083 64 2HG ARG 6 1HG ARG 6 12.180 -6.716 3.860 65 1HD ARG 6 2HD ARG 6 13.559 -9.107 5.080 66 2HD ARG 6 1HD ARG 6 12.838 -9.038 3.470 67 HE ARG 6 HE ARG 6 14.533 -7.062 3.223 68 1HH1 ARG 6 1HH1 ARG 6 15.057 -10.119 4.849 69 2HH1 ARG 6 2HH1 ARG 6 16.769 -10.120 4.568 70 1HH2 ARG 6 1HH2 ARG 6 16.791 -7.073 2.819 71 2HH2 ARG 6 2HH2 ARG 6 17.756 -8.401 3.406 72 H ASP 7 H ASP 7 11.671 -5.642 8.448 73 HA ASP 7 HA ASP 7 8.998 -6.460 8.193 74 1HB ASP 7 2HB ASP 7 10.358 -6.605 10.285 75 2HB ASP 7 1HB ASP 7 10.213 -4.868 10.463 76 H ARG 8 H ARG 8 10.415 -3.319 8.796 77 HA ARG 8 HA ARG 8 8.231 -1.671 8.953 78 1HB ARG 8 2HB ARG 8 10.568 -1.032 9.310 79 2HB ARG 8 1HB ARG 8 10.884 -1.194 7.593 80 1HG ARG 8 2HG ARG 8 10.689 1.119 8.097 81 2HG ARG 8 1HG ARG 8 9.260 0.645 7.178 82 1HD ARG 8 2HD ARG 8 7.893 0.670 9.107 83 2HD ARG 8 1HD ARG 8 9.289 0.731 10.185 84 HE ARG 8 HE ARG 8 9.293 3.002 8.507 85 1HH1 ARG 8 1HH1 ARG 8 7.583 1.644 11.252 86 2HH1 ARG 8 2HH1 ARG 8 7.100 3.189 11.884 87 1HH2 ARG 8 1HH2 ARG 8 8.700 5.041 9.368 88 2HH2 ARG 8 2HH2 ARG 8 7.731 5.123 10.809 89 H LEU 9 H LEU 9 9.843 -2.880 6.053 90 HA LEU 9 HA LEU 9 8.123 -1.413 4.274 91 1HB LEU 9 2HB LEU 9 10.316 -3.430 3.893 92 2HB LEU 9 1HB LEU 9 9.347 -2.859 2.545 93 HG LEU 9 HG LEU 9 10.889 -1.002 4.351 94 1HD1 LEU 9 1HD1 LEU 9 12.578 -0.912 2.595 95 2HD1 LEU 9 2HD1 LEU 9 11.724 -2.168 1.697 96 3HD1 LEU 9 3HD1 LEU 9 12.444 -2.537 3.263 97 1HD2 LEU 9 1HD2 LEU 9 9.612 -0.688 1.636 98 2HD2 LEU 9 2HD2 LEU 9 10.596 0.534 2.445 99 3HD2 LEU 9 3HD2 LEU 9 9.062 0.028 3.152 100 H GLU 10 H GLU 10 8.457 -4.786 5.308 101 HA GLU 10 HA GLU 10 6.514 -5.779 3.489 102 1HB GLU 10 2HB GLU 10 8.288 -7.140 4.622 103 2HB GLU 10 1HB GLU 10 7.370 -7.000 6.115 104 1HG GLU 10 2HG GLU 10 5.526 -8.202 5.157 105 2HG GLU 10 1HG GLU 10 6.314 -8.221 3.579 106 H ARG 11 H ARG 11 6.333 -4.262 6.602 107 HA ARG 11 HA ARG 11 3.557 -4.982 6.981 108 1HB ARG 11 2HB ARG 11 5.077 -4.618 8.930 109 2HB ARG 11 1HB ARG 11 5.193 -2.921 8.480 110 1HG ARG 11 2HG ARG 11 2.837 -2.611 8.867 111 2HG ARG 11 1HG ARG 11 2.630 -4.331 9.191 112 1HD ARG 11 2HD ARG 11 2.694 -3.085 11.269 113 2HD ARG 11 1HD ARG 11 4.103 -4.135 11.140 114 HE ARG 11 HE ARG 11 5.453 -2.288 11.104 115 1HH1 ARG 11 1HH1 ARG 11 2.144 -1.274 10.526 116 2HH1 ARG 11 2HH1 ARG 11 2.494 0.413 10.739 117 1HH2 ARG 11 1HH2 ARG 11 5.900 -0.066 11.411 118 2HH2 ARG 11 2HH2 ARG 11 4.609 1.099 11.289 119 H ALA 12 H ALA 12 5.466 -2.347 5.697 120 HA ALA 12 HA ALA 12 3.396 -0.505 5.235 121 1HB ALA 12 1HB ALA 12 5.800 0.014 4.965 122 2HB ALA 12 2HB ALA 12 4.841 0.466 3.555 123 3HB ALA 12 3HB ALA 12 5.828 -0.997 3.515 124 H GLN 13 H GLN 13 4.303 -3.476 3.681 125 HA GLN 13 HA GLN 13 2.757 -3.110 1.313 126 1HB GLN 13 2HB GLN 13 4.530 -4.761 1.369 127 2HB GLN 13 1HB GLN 13 3.738 -5.623 2.680 128 1HG GLN 13 2HG GLN 13 1.957 -6.310 1.245 129 2HG GLN 13 1HG GLN 13 2.535 -5.268 -0.054 130 1HE2 GLN 13 1HE2 GLN 13 2.659 -7.022 -1.456 131 2HE2 GLN 13 2HE2 GLN 13 3.921 -8.199 -1.345 132 H SER 14 H SER 14 2.124 -4.620 4.450 133 HA SER 14 HA SER 14 -0.566 -5.334 3.875 134 1HB SER 14 2HB SER 14 0.620 -4.779 6.601 135 2HB SER 14 1HB SER 14 -0.734 -5.839 6.215 136 HG SER 14 HG SER 14 0.661 -7.280 5.265 137 H GLN 15 H GLN 15 0.996 -2.544 5.346 138 HA GLN 15 HA GLN 15 -1.345 -1.190 6.152 139 1HB GLN 15 2HB GLN 15 1.195 -0.815 6.724 140 2HB GLN 15 1HB GLN 15 1.149 0.266 5.343 141 1HG GLN 15 2HG GLN 15 -0.726 0.494 7.681 142 2HG GLN 15 1HG GLN 15 0.826 1.317 7.602 143 1HE2 GLN 15 1HE2 GLN 15 1.103 3.012 6.173 144 2HE2 GLN 15 2HE2 GLN 15 -0.241 3.835 5.453 145 H GLY 16 H GLY 16 0.700 -0.907 3.250 146 1HA GLY 16 2HA GLY 16 -0.732 1.088 1.927 147 2HA GLY 16 1HA GLY 16 0.241 -0.145 1.138 148 H TYR 17 H TYR 17 -1.327 -2.364 2.141 149 HA TYR 17 HA TYR 17 -3.296 -2.590 0.164 150 1HB TYR 17 2HB TYR 17 -2.170 -4.449 1.510 151 2HB TYR 17 1HB TYR 17 -3.311 -4.073 2.792 152 HD1 TYR 17 HD2 TYR 17 -2.922 -5.475 -0.567 153 HD2 TYR 17 HD1 TYR 17 -5.649 -4.682 2.600 154 HE1 TYR 17 HE2 TYR 17 -4.564 -6.976 -1.612 155 HE2 TYR 17 HE1 TYR 17 -7.299 -6.180 1.559 156 HH TYR 17 HH TYR 17 -6.493 -8.270 -1.048 157 H LYS 18 H LYS 18 -3.645 -2.011 3.670 158 HA LYS 18 HA LYS 18 -6.438 -1.465 3.509 159 1HB LYS 18 2HB LYS 18 -5.284 -2.255 5.565 160 2HB LYS 18 1HB LYS 18 -4.475 -0.702 5.686 161 1HG LYS 18 2HG LYS 18 -7.397 -0.555 5.511 162 2HG LYS 18 1HG LYS 18 -6.778 -1.360 6.951 163 1HD LYS 18 2HD LYS 18 -5.286 0.626 7.304 164 2HD LYS 18 1HD LYS 18 -6.163 1.430 5.998 165 1HE LYS 18 2HE LYS 18 -7.053 2.062 8.187 166 2HE LYS 18 1HE LYS 18 -8.249 1.186 7.235 167 1HZ LYS 18 1HZ LYS 18 -6.555 -0.006 9.368 168 2HZ LYS 18 2HZ LYS 18 -7.758 -0.811 8.484 169 3HZ LYS 18 3HZ LYS 18 -8.182 0.443 9.547 170 H ALA 19 H ALA 19 -3.632 0.366 2.866 171 HA ALA 19 HA ALA 19 -4.808 2.947 3.384 172 1HB ALA 19 1HB ALA 19 -2.415 2.642 3.697 173 2HB ALA 19 2HB ALA 19 -2.728 3.853 2.453 174 3HB ALA 19 3HB ALA 19 -2.231 2.225 1.993 175 H GLY 20 H GLY 20 -4.645 0.730 0.754 176 1HA GLY 20 2HA GLY 20 -5.333 2.608 -1.291 177 2HA GLY 20 1HA GLY 20 -5.527 0.865 -1.359 178 H LEU 21 H LEU 21 -7.006 0.953 1.194 179 HA LEU 21 HA LEU 21 -9.637 1.496 0.055 180 1HB LEU 21 2HB LEU 21 -9.344 0.411 2.805 181 2HB LEU 21 1HB LEU 21 -10.480 -0.031 1.547 182 HG LEU 21 HG LEU 21 -7.598 -0.908 1.735 183 1HD1 LEU 21 1HD1 LEU 21 -8.578 -3.133 2.070 184 2HD1 LEU 21 2HD1 LEU 21 -10.184 -2.404 2.107 185 3HD1 LEU 21 3HD1 LEU 21 -9.005 -2.005 3.355 186 1HD2 LEU 21 1HD2 LEU 21 -8.247 -0.641 -0.585 187 2HD2 LEU 21 2HD2 LEU 21 -9.693 -1.616 -0.313 188 3HD2 LEU 21 3HD2 LEU 21 -8.094 -2.347 -0.170 189 H ASN 22 H ASN 22 -7.778 2.126 2.983 190 HA ASN 22 HA ASN 22 -9.699 4.176 3.799 191 1HB ASN 22 2HB ASN 22 -9.385 2.553 5.437 192 2HB ASN 22 1HB ASN 22 -7.644 2.542 5.252 193 1HD2 ASN 22 1HD2 ASN 22 -6.428 3.921 6.405 194 2HD2 ASN 22 2HD2 ASN 22 -7.063 5.038 7.566 195 H GLY 23 H GLY 23 -6.338 3.755 2.905 196 1HA GLY 23 2HA GLY 23 -5.455 6.239 4.046 197 2HA GLY 23 1HA GLY 23 -4.572 5.252 2.885 198 H ARG 24 H ARG 24 -7.337 5.421 1.454 199 HA ARG 24 HA ARG 24 -8.186 6.490 -0.351 200 1HB ARG 24 2HB ARG 24 -8.701 8.220 1.284 201 2HB ARG 24 1HB ARG 24 -7.116 8.938 1.043 202 1HG ARG 24 2HG ARG 24 -7.717 9.417 -1.298 203 2HG ARG 24 1HG ARG 24 -9.324 8.751 -1.001 204 1HD ARG 24 2HD ARG 24 -9.724 10.451 0.698 205 2HD ARG 24 1HD ARG 24 -8.108 11.106 0.439 206 HE ARG 24 HE ARG 24 -10.018 11.040 -1.795 207 1HH1 ARG 24 1HH1 ARG 24 -8.054 12.858 0.477 208 2HH1 ARG 24 2HH1 ARG 24 -8.287 14.376 -0.344 209 1HH2 ARG 24 1HH2 ARG 24 -10.344 13.020 -2.855 210 2HH2 ARG 24 2HH2 ARG 24 -9.632 14.474 -2.220 211 H SER 25 H SER 25 -5.277 8.457 0.226 212 HA SER 25 HA SER 25 -4.663 8.203 -2.636 213 1HB SER 25 2HB SER 25 -3.959 10.334 -0.622 214 2HB SER 25 1HB SER 25 -3.333 10.306 -2.264 215 HG SER 25 HG SER 25 -5.099 11.344 -2.735 216 H GLN 26 H GLN 26 -2.247 8.632 -3.076 217 HA GLN 26 HA GLN 26 -0.711 6.577 -1.733 218 1HB GLN 26 2HB GLN 26 0.319 8.546 -3.766 219 2HB GLN 26 1HB GLN 26 0.901 6.922 -3.431 220 1HG GLN 26 2HG GLN 26 -1.001 5.937 -4.450 221 2HG GLN 26 1HG GLN 26 -1.822 7.494 -4.561 222 1HE2 GLN 26 1HE2 GLN 26 0.675 5.472 -5.868 223 2HE2 GLN 26 2HE2 GLN 26 0.932 6.372 -7.326 224 H GLU 27 H GLU 27 -1.324 9.843 -1.376 225 HA GLU 27 HA GLU 27 1.086 10.893 -0.410 226 1HB GLU 27 2HB GLU 27 -0.947 12.196 -1.071 227 2HB GLU 27 1HB GLU 27 -1.733 11.642 0.399 228 1HG GLU 27 2HG GLU 27 0.010 12.762 1.722 229 2HG GLU 27 1HG GLU 27 0.722 13.368 0.229 230 H ALA 28 H ALA 28 -1.012 8.588 0.910 231 HA ALA 28 HA ALA 28 -0.464 9.177 3.690 232 1HB ALA 28 1HB ALA 28 -2.672 8.383 2.980 233 2HB ALA 28 2HB ALA 28 -1.928 7.296 4.156 234 3HB ALA 28 3HB ALA 28 -1.949 6.867 2.444 235 H CYS 29 H CYS 29 1.727 8.367 1.793 236 HA CYS 29 HA CYS 29 2.645 5.932 3.171 237 1HB CYS 29 2HB CYS 29 2.543 5.808 0.695 238 2HB CYS 29 1HB CYS 29 3.675 7.150 0.598 239 HG CYS 29 HG CYS 29 4.398 4.062 0.533 240 HA PRO 30 HA PRO 30 5.358 9.199 4.900 241 1HB PRO 30 2HB PRO 30 4.870 8.817 7.464 242 2HB PRO 30 1HB PRO 30 3.614 9.517 6.430 243 1HG PRO 30 2HG PRO 30 3.890 6.710 7.444 244 2HG PRO 30 1HG PRO 30 2.435 7.717 7.317 245 1HD PRO 30 2HD PRO 30 3.247 5.790 5.453 246 2HD PRO 30 1HD PRO 30 2.070 7.085 5.162 247 H TYR 31 H TYR 31 6.214 6.412 4.093 248 HA TYR 31 HA TYR 31 7.899 5.725 6.404 249 1HB TYR 31 2HB TYR 31 7.141 3.975 4.062 250 2HB TYR 31 1HB TYR 31 8.065 3.477 5.477 251 HD1 TYR 31 HD1 TYR 31 6.782 4.119 7.788 252 HD2 TYR 31 HD2 TYR 31 4.938 3.343 4.033 253 HE1 TYR 31 HE1 TYR 31 4.693 3.526 8.943 254 HE2 TYR 31 HE2 TYR 31 2.844 2.754 5.177 255 HH TYR 31 HH TYR 31 2.152 3.536 8.277 256 H GLN 32 H GLN 32 8.180 5.276 2.881 257 HA GLN 32 HA GLN 32 10.858 6.402 2.901 258 1HB GLN 32 2HB GLN 32 10.959 3.959 3.650 259 2HB GLN 32 1HB GLN 32 10.423 3.535 2.036 260 1HG GLN 32 2HG GLN 32 12.416 4.186 1.060 261 2HG GLN 32 1HG GLN 32 12.868 5.201 2.434 262 1HE2 GLN 32 1HE2 GLN 32 14.360 3.065 1.123 263 2HE2 GLN 32 2HE2 GLN 32 14.712 1.901 2.351 264 H GLN 33 H GLN 33 11.752 6.022 0.452 265 HA GLN 33 HA GLN 33 9.481 6.775 -1.212 266 1HB GLN 33 2HB GLN 33 12.433 7.215 -1.536 267 2HB GLN 33 1HB GLN 33 11.244 7.631 -2.755 268 1HG GLN 33 2HG GLN 33 11.309 8.728 0.042 269 2HG GLN 33 1HG GLN 33 11.923 9.556 -1.389 270 1HE2 GLN 33 1HE2 GLN 33 10.489 10.402 -2.881 271 2HE2 GLN 33 2HE2 GLN 33 8.795 10.591 -2.536 272 H VAL 34 H VAL 34 12.564 5.220 -2.043 273 HA VAL 34 HA VAL 34 11.439 4.008 -4.337 274 HB VAL 34 HB VAL 34 14.048 3.510 -2.901 275 1HG1 VAL 34 1HG1 VAL 34 13.457 1.501 -4.105 276 2HG1 VAL 34 2HG1 VAL 34 14.774 2.333 -4.932 277 3HG1 VAL 34 3HG1 VAL 34 13.130 2.436 -5.564 278 1HG2 VAL 34 1HG2 VAL 34 13.834 5.721 -3.885 279 2HG2 VAL 34 2HG2 VAL 34 13.391 5.008 -5.436 280 3HG2 VAL 34 3HG2 VAL 34 15.009 4.755 -4.780 281 H ASP 35 H ASP 35 12.556 2.630 -1.277 282 HA ASP 35 HA ASP 35 11.833 -0.037 -1.988 283 1HB ASP 35 2HB ASP 35 12.565 1.231 0.655 284 2HB ASP 35 1HB ASP 35 12.197 -0.482 0.489 285 H ALA 36 H ALA 36 10.308 2.562 -0.230 286 HA ALA 36 HA ALA 36 8.115 1.063 0.755 287 1HB ALA 36 1HB ALA 36 8.669 3.149 1.781 288 2HB ALA 36 2HB ALA 36 7.057 3.283 1.082 289 3HB ALA 36 3HB ALA 36 8.441 4.016 0.261 290 H ARG 37 H ARG 37 8.684 2.926 -2.205 291 HA ARG 37 HA ARG 37 6.085 2.923 -3.202 292 1HB ARG 37 2HB ARG 37 8.425 3.920 -4.055 293 2HB ARG 37 1HB ARG 37 8.315 2.523 -5.117 294 1HG ARG 37 2HG ARG 37 6.180 3.296 -5.955 295 2HG ARG 37 1HG ARG 37 6.216 4.664 -4.837 296 1HD ARG 37 2HD ARG 37 8.344 5.388 -5.916 297 2HD ARG 37 1HD ARG 37 8.110 4.116 -7.111 298 HE ARG 37 HE ARG 37 6.166 6.307 -6.722 299 1HH1 ARG 37 1HH1 ARG 37 8.095 4.256 -8.806 300 2HH1 ARG 37 2HH1 ARG 37 7.534 4.990 -10.276 301 1HH2 ARG 37 1HH2 ARG 37 5.444 7.305 -8.643 302 2HH2 ARG 37 2HH2 ARG 37 6.023 6.736 -10.186 303 H SER 38 H SER 38 8.633 0.476 -3.393 304 HA SER 38 HA SER 38 7.264 -1.237 -5.197 305 1HB SER 38 2HB SER 38 9.420 -1.946 -3.189 306 2HB SER 38 1HB SER 38 8.971 -2.871 -4.622 307 HG SER 38 HG SER 38 9.524 -0.325 -5.294 308 H TYR 39 H TYR 39 7.552 -1.135 -1.663 309 HA TYR 39 HA TYR 39 5.992 -3.518 -1.365 310 1HB TYR 39 2HB TYR 39 7.264 -1.624 0.568 311 2HB TYR 39 1HB TYR 39 6.130 -2.850 1.125 312 HD1 TYR 39 HD2 TYR 39 6.703 -5.205 1.044 313 HD2 TYR 39 HD1 TYR 39 9.455 -2.248 -0.285 314 HE1 TYR 39 HE2 TYR 39 8.507 -6.872 1.099 315 HE2 TYR 39 HE1 TYR 39 11.267 -3.905 -0.233 316 HH TYR 39 HH TYR 39 10.703 -7.246 0.105 317 H TRP 40 H TRP 40 5.523 -0.138 -0.488 318 HA TRP 40 HA TRP 40 2.964 -0.536 0.669 319 1HB TRP 40 2HB TRP 40 4.648 1.287 1.191 320 2HB TRP 40 1HB TRP 40 4.151 2.062 -0.307 321 HD1 TRP 40 HD1 TRP 40 2.918 1.302 3.230 322 HE1 TRP 40 HE1 TRP 40 0.938 2.854 3.755 323 HE3 TRP 40 HE3 TRP 40 2.248 3.372 -1.408 324 HZ2 TRP 40 HZ2 TRP 40 -0.675 4.714 2.398 325 HZ3 TRP 40 HZ3 TRP 40 0.455 5.030 -1.705 326 HH2 TRP 40 HH2 TRP 40 -0.977 5.684 0.158 327 H LEU 41 H LEU 41 4.037 0.791 -2.487 328 HA LEU 41 HA LEU 41 1.355 1.517 -3.222 329 1HB LEU 41 2HB LEU 41 3.917 2.155 -4.115 330 2HB LEU 41 1HB LEU 41 3.202 1.271 -5.448 331 HG LEU 41 HG LEU 41 1.991 3.719 -4.155 332 1HD1 LEU 41 1HD1 LEU 41 3.475 3.407 -6.761 333 2HD1 LEU 41 2HD1 LEU 41 4.031 4.286 -5.336 334 3HD1 LEU 41 3HD1 LEU 41 2.625 4.861 -6.233 335 1HD2 LEU 41 1HD2 LEU 41 0.491 3.695 -6.099 336 2HD2 LEU 41 2HD2 LEU 41 0.311 2.247 -5.110 337 3HD2 LEU 41 3HD2 LEU 41 1.211 2.173 -6.625 338 H GLY 42 H GLY 42 3.341 -1.297 -3.550 339 1HA GLY 42 2HA GLY 42 2.018 -2.560 -5.696 340 2HA GLY 42 1HA GLY 42 2.900 -3.380 -4.416 341 H GLY 43 H GLY 43 1.521 -2.907 -2.182 342 1HA GLY 43 2HA GLY 43 -0.824 -4.505 -2.468 343 2HA GLY 43 1HA GLY 43 -0.291 -3.696 -0.998 344 H TRP 44 H TRP 44 -0.206 -1.090 -2.286 345 HA TRP 44 HA TRP 44 -2.760 -0.135 -1.703 346 1HB TRP 44 2HB TRP 44 -0.594 1.170 -1.792 347 2HB TRP 44 1HB TRP 44 -0.747 1.171 -3.544 348 HD1 TRP 44 HD1 TRP 44 -2.346 2.667 -0.396 349 HE1 TRP 44 HE1 TRP 44 -3.730 4.725 -1.083 350 HE3 TRP 44 HE3 TRP 44 -2.007 2.221 -5.484 351 HZ2 TRP 44 HZ2 TRP 44 -4.561 5.993 -3.463 352 HZ3 TRP 44 HZ3 TRP 44 -3.123 3.904 -6.891 353 HH2 TRP 44 HH2 TRP 44 -4.374 5.746 -5.900 354 H ARG 45 H ARG 45 -1.233 -0.748 -4.868 355 HA ARG 45 HA ARG 45 -3.505 -0.063 -6.413 356 1HB ARG 45 2HB ARG 45 -1.254 -1.956 -7.118 357 2HB ARG 45 1HB ARG 45 -2.387 -1.240 -8.254 358 1HG ARG 45 2HG ARG 45 -1.507 0.995 -7.641 359 2HG ARG 45 1HG ARG 45 -0.301 0.195 -6.630 360 1HD ARG 45 2HD ARG 45 -0.618 0.075 -9.617 361 2HD ARG 45 1HD ARG 45 0.771 0.635 -8.687 362 HE ARG 45 HE ARG 45 -0.063 -2.191 -8.660 363 1HH1 ARG 45 1HH1 ARG 45 2.397 0.258 -9.119 364 2HH1 ARG 45 2HH1 ARG 45 3.673 -0.896 -9.368 365 1HH2 ARG 45 1HH2 ARG 45 1.627 -3.705 -9.022 366 2HH2 ARG 45 2HH2 ARG 45 3.244 -3.118 -9.290 367 H ASP 46 H ASP 46 -2.272 -3.138 -5.185 368 HA ASP 46 HA ASP 46 -4.031 -4.873 -6.470 369 1HB ASP 46 2HB ASP 46 -2.026 -5.604 -5.242 370 2HB ASP 46 1HB ASP 46 -2.793 -5.156 -3.722 371 H ALA 47 H ALA 47 -4.270 -3.573 -3.166 372 HA ALA 47 HA ALA 47 -6.753 -4.664 -2.529 373 1HB ALA 47 1HB ALA 47 -5.261 -3.699 -0.875 374 2HB ALA 47 2HB ALA 47 -6.859 -2.957 -0.784 375 3HB ALA 47 3HB ALA 47 -5.526 -2.093 -1.553 376 H ARG 48 H ARG 48 -5.962 -1.502 -3.947 377 HA ARG 48 HA ARG 48 -8.565 -0.485 -4.058 378 1HB ARG 48 2HB ARG 48 -6.926 1.102 -4.445 379 2HB ARG 48 1HB ARG 48 -6.013 0.050 -5.517 380 1HG ARG 48 2HG ARG 48 -8.458 0.466 -6.800 381 2HG ARG 48 1HG ARG 48 -7.979 2.041 -6.153 382 1HD ARG 48 2HD ARG 48 -6.133 2.171 -7.460 383 2HD ARG 48 1HD ARG 48 -5.879 0.429 -7.470 384 HE ARG 48 HE ARG 48 -7.905 0.420 -9.016 385 1HH1 ARG 48 1HH1 ARG 48 -5.731 3.150 -8.834 386 2HH1 ARG 48 2HH1 ARG 48 -5.857 3.527 -10.530 387 1HH2 ARG 48 1HH2 ARG 48 -8.053 0.867 -11.229 388 2HH2 ARG 48 2HH2 ARG 48 -7.176 2.213 -11.901 389 H ASP 49 H ASP 49 -6.707 -2.321 -6.461 390 HA ASP 49 HA ASP 49 -8.657 -2.175 -8.510 391 1HB ASP 49 2HB ASP 49 -6.244 -2.619 -8.878 392 2HB ASP 49 1HB ASP 49 -6.445 -4.205 -8.144 393 H GLU 50 H GLU 50 -8.458 -4.103 -5.718 394 HA GLU 50 HA GLU 50 -10.092 -6.265 -6.828 395 1HB GLU 50 2HB GLU 50 -8.675 -5.952 -4.180 396 2HB GLU 50 1HB GLU 50 -9.714 -7.315 -4.573 397 1HG GLU 50 2HG GLU 50 -7.289 -6.563 -6.178 398 2HG GLU 50 1HG GLU 50 -7.265 -7.704 -4.838 399 H LYS 51 H LYS 51 -10.182 -3.514 -4.798 400 HA LYS 51 HA LYS 51 -12.799 -4.086 -3.686 401 1HB LYS 51 2HB LYS 51 -11.296 -2.717 -2.366 402 2HB LYS 51 1HB LYS 51 -11.033 -1.619 -3.713 403 1HG LYS 51 2HG LYS 51 -13.424 -0.966 -3.576 404 2HG LYS 51 1HG LYS 51 -13.570 -1.971 -2.133 405 1HD LYS 51 2HD LYS 51 -11.981 -0.615 -0.955 406 2HD LYS 51 1HD LYS 51 -11.602 0.299 -2.417 407 1HE LYS 51 2HE LYS 51 -13.878 1.180 -2.463 408 2HE LYS 51 1HE LYS 51 -14.280 0.243 -1.027 409 1HZ LYS 51 1HZ LYS 51 -12.678 1.509 0.233 410 2HZ LYS 51 2HZ LYS 51 -13.782 2.560 -0.508 411 3HZ LYS 51 3HZ LYS 51 -12.220 2.385 -1.148 412 H GLN 52 H GLN 52 -11.312 -2.806 -6.424 413 HA GLN 52 HA GLN 52 -13.571 -1.175 -7.261 414 1HB GLN 52 2HB GLN 52 -11.209 -0.468 -7.520 415 2HB GLN 52 1HB GLN 52 -10.969 -1.784 -8.653 416 1HG GLN 52 2HG GLN 52 -12.433 -0.808 -10.246 417 2HG GLN 52 1HG GLN 52 -13.013 0.377 -9.077 418 1HE2 GLN 52 1HE2 GLN 52 -11.776 0.733 -11.718 419 2HE2 GLN 52 2HE2 GLN 52 -10.391 1.745 -11.455 420 H SER 53 H SER 53 -11.951 -4.161 -8.259 421 HA SER 53 HA SER 53 -13.944 -4.529 -10.376 422 1HB SER 53 2HB SER 53 -11.566 -6.300 -9.811 423 2HB SER 53 1HB SER 53 -12.471 -6.137 -11.315 424 HG SER 53 HG SER 53 -10.506 -4.492 -10.211 425 H GLY 54 H GLY 54 -13.754 -5.168 -7.196 426 1HA GLY 54 2HA GLY 54 -14.138 -7.962 -6.990 427 2HA GLY 54 1HA GLY 54 -14.495 -6.784 -5.741 428 H LEU 55 H LEU 55 -16.337 -5.478 -7.863 429 HA LEU 55 HA LEU 55 -18.732 -6.693 -6.969 430 1HB LEU 55 2HB LEU 55 -18.208 -4.738 -9.209 431 2HB LEU 55 1HB LEU 55 -19.814 -5.267 -8.753 432 HG LEU 55 HG LEU 55 -19.313 -4.338 -6.434 433 1HD1 LEU 55 1HD1 LEU 55 -16.901 -4.165 -6.616 434 2HD1 LEU 55 2HD1 LEU 55 -17.613 -2.578 -6.326 435 3HD1 LEU 55 3HD1 LEU 55 -17.065 -3.020 -7.945 436 1HD2 LEU 55 1HD2 LEU 55 -19.878 -2.065 -7.112 437 2HD2 LEU 55 2HD2 LEU 55 -20.801 -3.256 -8.030 438 3HD2 LEU 55 3HD2 LEU 55 -19.424 -2.443 -8.774 439 H TYR 56 H TYR 56 -16.912 -6.822 -9.964 440 HA TYR 56 HA TYR 56 -17.153 -7.973 -11.897 441 1HB TYR 56 2HB TYR 56 -16.071 -9.626 -10.446 442 2HB TYR 56 1HB TYR 56 -17.649 -10.230 -9.949 443 HD1 TYR 56 HD2 TYR 56 -15.714 -9.597 -13.087 444 HD2 TYR 56 HD1 TYR 56 -18.472 -12.104 -11.037 445 HE1 TYR 56 HE2 TYR 56 -15.732 -11.139 -15.004 446 HE2 TYR 56 HE1 TYR 56 -18.499 -13.646 -12.950 447 HH TYR 56 HH TYR 56 -18.064 -13.581 -15.366 448 H LYS 57 H LYS 57 -19.125 -6.761 -12.395 449 HA LYS 57 HA LYS 57 -21.349 -8.671 -12.723 450 1HB LYS 57 2HB LYS 57 -21.448 -5.678 -12.344 451 2HB LYS 57 1HB LYS 57 -22.811 -6.603 -12.962 452 1HG LYS 57 2HG LYS 57 -22.677 -7.990 -10.864 453 2HG LYS 57 1HG LYS 57 -21.524 -6.800 -10.253 454 1HD LYS 57 2HD LYS 57 -24.331 -6.192 -11.170 455 2HD LYS 57 1HD LYS 57 -23.830 -6.380 -9.489 456 1HE LYS 57 2HE LYS 57 -22.319 -4.486 -9.718 457 2HE LYS 57 1HE LYS 57 -22.764 -4.318 -11.416 458 1HZ LYS 57 1HZ LYS 57 -23.935 -2.756 -9.948 459 2HZ LYS 57 2HZ LYS 57 -24.657 -4.056 -9.140 460 3HZ LYS 57 3HZ LYS 57 -25.001 -3.781 -10.779 461 H LEU 58 H LEU 58 -18.928 -8.094 -14.340 462 HA LEU 58 HA LEU 58 -19.691 -6.766 -16.720 463 1HB LEU 58 2HB LEU 58 -17.341 -7.400 -15.894 464 2HB LEU 58 1HB LEU 58 -17.671 -8.995 -16.531 465 HG LEU 58 HG LEU 58 -16.300 -7.490 -18.012 466 1HD1 LEU 58 1HD1 LEU 58 -17.445 -9.448 -18.902 467 2HD1 LEU 58 2HD1 LEU 58 -17.429 -8.127 -20.071 468 3HD1 LEU 58 3HD1 LEU 58 -18.899 -8.484 -19.164 469 1HD2 LEU 58 1HD2 LEU 58 -17.525 -5.799 -19.324 470 2HD2 LEU 58 2HD2 LEU 58 -17.425 -5.400 -17.609 471 3HD2 LEU 58 3HD2 LEU 58 -18.925 -6.039 -18.277 472 H GLU 59 H GLU 59 -19.065 -10.218 -16.332 473 HA GLU 59 HA GLU 59 -19.919 -12.066 -17.275 474 1HB GLU 59 2HB GLU 59 -22.317 -10.546 -16.379 475 2HB GLU 59 1HB GLU 59 -22.541 -12.043 -17.278 476 1HG GLU 59 2HG GLU 59 -21.008 -11.710 -14.711 477 2HG GLU 59 1HG GLU 59 -22.579 -12.486 -14.910 478 H HIS 60 H HIS 60 -19.141 -12.062 -19.280 479 HA HIS 60 HA HIS 60 -21.170 -11.742 -21.354 480 1HB HIS 60 2HB HIS 60 -19.651 -9.734 -21.419 481 2HB HIS 60 1HB HIS 60 -18.299 -10.821 -21.707 482 HD1 HIS 60 HD1 HIS 60 -21.731 -10.466 -23.356 483 HD2 HIS 60 HD2 HIS 60 -17.691 -10.702 -24.330 484 HE1 HIS 60 HE1 HIS 60 -21.628 -10.397 -25.867 485 HE2 HIS 60 HE2 HIS 60 -19.183 -10.569 -26.439 Start of MODEL 13 1 1H MET 1 1H MET 1 21.855 -4.552 13.532 2 2H MET 1 2H MET 1 20.508 -5.105 14.388 3 3H MET 1 3H MET 1 20.758 -3.442 14.192 4 HA MET 1 HA MET 1 19.043 -4.143 12.708 5 1HB MET 1 2HB MET 1 19.893 -3.216 10.713 6 2HB MET 1 1HB MET 1 20.858 -2.483 11.984 7 1HG MET 1 2HG MET 1 21.687 -4.773 10.211 8 2HG MET 1 1HG MET 1 22.238 -3.105 10.095 9 1HE MET 1 1HE MET 1 25.368 -5.185 11.353 10 2HE MET 1 2HE MET 1 24.729 -4.185 10.051 11 3HE MET 1 3HE MET 1 24.080 -5.802 10.320 12 H LYS 2 H LYS 2 18.434 -5.450 10.827 13 HA LYS 2 HA LYS 2 20.037 -7.585 9.907 14 1HB LYS 2 2HB LYS 2 19.178 -8.197 12.367 15 2HB LYS 2 1HB LYS 2 17.771 -8.723 11.458 16 1HG LYS 2 2HG LYS 2 19.178 -10.192 10.112 17 2HG LYS 2 1HG LYS 2 20.595 -9.658 11.016 18 1HD LYS 2 2HD LYS 2 19.914 -11.743 11.943 19 2HD LYS 2 1HD LYS 2 19.459 -10.486 13.096 20 1HE LYS 2 2HE LYS 2 17.653 -12.075 12.877 21 2HE LYS 2 1HE LYS 2 17.164 -10.529 12.189 22 1HZ LYS 2 1HZ LYS 2 18.123 -12.885 10.650 23 2HZ LYS 2 2HZ LYS 2 17.665 -11.401 9.982 24 3HZ LYS 2 3HZ LYS 2 16.514 -12.365 10.767 25 H ARG 3 H ARG 3 16.554 -7.773 10.643 26 HA ARG 3 HA ARG 3 16.051 -7.515 7.748 27 1HB ARG 3 2HB ARG 3 14.900 -9.350 9.794 28 2HB ARG 3 1HB ARG 3 13.857 -8.802 8.493 29 1HG ARG 3 2HG ARG 3 15.581 -9.650 6.882 30 2HG ARG 3 1HG ARG 3 16.408 -10.374 8.265 31 1HD ARG 3 2HD ARG 3 14.489 -11.728 8.777 32 2HD ARG 3 1HD ARG 3 13.528 -10.911 7.547 33 HE ARG 3 HE ARG 3 15.885 -12.559 6.876 34 1HH1 ARG 3 1HH1 ARG 3 12.535 -11.632 6.412 35 2HH1 ARG 3 2HH1 ARG 3 12.286 -12.711 5.070 36 1HH2 ARG 3 1HH2 ARG 3 15.553 -13.991 5.102 37 2HH2 ARG 3 2HH2 ARG 3 14.010 -14.008 4.296 38 H GLN 4 H GLN 4 15.868 -5.620 10.303 39 HA GLN 4 HA GLN 4 13.156 -4.858 10.458 40 1HB GLN 4 2HB GLN 4 15.686 -3.331 11.053 41 2HB GLN 4 1HB GLN 4 14.086 -2.642 11.290 42 1HG GLN 4 2HG GLN 4 14.804 -3.446 13.385 43 2HG GLN 4 1HG GLN 4 13.582 -4.572 12.804 44 1HE2 GLN 4 1HE2 GLN 4 14.253 -6.288 13.985 45 2HE2 GLN 4 2HE2 GLN 4 15.769 -7.093 13.737 46 H LYS 5 H LYS 5 15.708 -4.056 8.241 47 HA LYS 5 HA LYS 5 14.430 -1.920 6.907 48 1HB LYS 5 2HB LYS 5 15.985 -2.479 5.033 49 2HB LYS 5 1HB LYS 5 16.785 -2.277 6.584 50 1HG LYS 5 2HG LYS 5 16.857 -4.721 6.840 51 2HG LYS 5 1HG LYS 5 16.116 -4.889 5.248 52 1HD LYS 5 2HD LYS 5 18.746 -3.526 5.811 53 2HD LYS 5 1HD LYS 5 18.561 -5.159 5.176 54 1HE LYS 5 2HE LYS 5 17.405 -4.255 3.211 55 2HE LYS 5 1HE LYS 5 17.620 -2.624 3.844 56 1HZ LYS 5 1HZ LYS 5 19.823 -4.491 3.150 57 2HZ LYS 5 2HZ LYS 5 20.003 -2.896 3.699 58 3HZ LYS 5 3HZ LYS 5 19.298 -3.195 2.187 59 H ARG 6 H ARG 6 13.911 -5.303 6.923 60 HA ARG 6 HA ARG 6 12.252 -5.237 4.522 61 1HB ARG 6 2HB ARG 6 13.660 -7.220 4.863 62 2HB ARG 6 1HB ARG 6 12.894 -7.505 6.422 63 1HG ARG 6 2HG ARG 6 11.777 -8.991 5.070 64 2HG ARG 6 1HG ARG 6 10.697 -7.596 5.033 65 1HD ARG 6 2HD ARG 6 10.853 -8.249 2.798 66 2HD ARG 6 1HD ARG 6 11.988 -6.904 2.928 67 HE ARG 6 HE ARG 6 13.722 -8.756 3.236 68 1HH1 ARG 6 1HH1 ARG 6 10.863 -9.016 1.236 69 2HH1 ARG 6 2HH1 ARG 6 11.511 -10.287 0.247 70 1HH2 ARG 6 1HH2 ARG 6 14.591 -10.410 1.926 71 2HH2 ARG 6 2HH2 ARG 6 13.636 -11.076 0.631 72 H ASP 7 H ASP 7 12.018 -5.673 8.016 73 HA ASP 7 HA ASP 7 9.314 -6.278 8.251 74 1HB ASP 7 2HB ASP 7 11.216 -4.855 10.090 75 2HB ASP 7 1HB ASP 7 9.531 -5.098 10.538 76 H ARG 8 H ARG 8 10.885 -3.111 8.111 77 HA ARG 8 HA ARG 8 8.634 -1.509 8.522 78 1HB ARG 8 2HB ARG 8 9.887 0.281 7.476 79 2HB ARG 8 1HB ARG 8 10.976 -0.676 8.472 80 1HG ARG 8 2HG ARG 8 11.752 -1.851 6.454 81 2HG ARG 8 1HG ARG 8 10.697 -0.829 5.477 82 1HD ARG 8 2HD ARG 8 11.917 1.158 6.317 83 2HD ARG 8 1HD ARG 8 13.015 0.078 7.181 84 HE ARG 8 HE ARG 8 12.748 -0.331 4.309 85 1HH1 ARG 8 1HH1 ARG 8 14.647 0.943 6.963 86 2HH1 ARG 8 2HH1 ARG 8 16.086 1.140 6.004 87 1HH2 ARG 8 1HH2 ARG 8 14.658 -0.116 3.054 88 2HH2 ARG 8 2HH2 ARG 8 16.107 0.477 3.806 89 H LEU 9 H LEU 9 9.615 -3.364 5.779 90 HA LEU 9 HA LEU 9 7.785 -1.982 3.978 91 1HB LEU 9 2HB LEU 9 9.910 -4.071 3.576 92 2HB LEU 9 1HB LEU 9 8.795 -3.611 2.301 93 HG LEU 9 HG LEU 9 10.663 -1.698 3.710 94 1HD1 LEU 9 1HD1 LEU 9 11.970 -1.739 1.653 95 2HD1 LEU 9 2HD1 LEU 9 10.896 -2.963 0.980 96 3HD1 LEU 9 3HD1 LEU 9 11.897 -3.344 2.381 97 1HD2 LEU 9 1HD2 LEU 9 10.062 -0.177 1.902 98 2HD2 LEU 9 2HD2 LEU 9 8.653 -0.646 2.854 99 3HD2 LEU 9 3HD2 LEU 9 8.929 -1.376 1.271 100 H GLU 10 H GLU 10 8.130 -4.966 5.733 101 HA GLU 10 HA GLU 10 6.038 -6.413 4.489 102 1HB GLU 10 2HB GLU 10 7.737 -7.405 6.016 103 2HB GLU 10 1HB GLU 10 7.016 -6.536 7.356 104 1HG GLU 10 2HG GLU 10 5.364 -8.433 5.745 105 2HG GLU 10 1HG GLU 10 6.469 -9.038 6.975 106 H ARG 11 H ARG 11 6.195 -4.003 6.992 107 HA ARG 11 HA ARG 11 3.376 -4.150 7.585 108 1HB ARG 11 2HB ARG 11 5.376 -2.062 8.466 109 2HB ARG 11 1HB ARG 11 3.770 -2.321 9.133 110 1HG ARG 11 2HG ARG 11 4.644 -4.712 9.629 111 2HG ARG 11 1HG ARG 11 6.234 -3.976 9.442 112 1HD ARG 11 2HD ARG 11 4.083 -3.194 11.402 113 2HD ARG 11 1HD ARG 11 5.616 -3.975 11.770 114 HE ARG 11 HE ARG 11 5.572 -1.278 10.593 115 1HH1 ARG 11 1HH1 ARG 11 6.505 -3.478 13.141 116 2HH1 ARG 11 2HH1 ARG 11 7.348 -2.274 14.061 117 1HH2 ARG 11 1HH2 ARG 11 6.724 0.319 11.768 118 2HH2 ARG 11 2HH2 ARG 11 7.453 -0.098 13.293 119 H ALA 12 H ALA 12 5.580 -2.133 5.726 120 HA ALA 12 HA ALA 12 3.731 -0.179 4.892 121 1HB ALA 12 1HB ALA 12 6.170 0.018 4.542 122 2HB ALA 12 2HB ALA 12 5.257 0.264 3.052 123 3HB ALA 12 3HB ALA 12 6.085 -1.269 3.333 124 H GLN 13 H GLN 13 4.423 -3.431 3.793 125 HA GLN 13 HA GLN 13 2.912 -3.368 1.397 126 1HB GLN 13 2HB GLN 13 4.525 -5.145 1.909 127 2HB GLN 13 1HB GLN 13 3.529 -5.679 3.252 128 1HG GLN 13 2HG GLN 13 3.223 -7.160 1.398 129 2HG GLN 13 1HG GLN 13 1.737 -6.251 1.661 130 1HE2 GLN 13 1HE2 GLN 13 4.436 -6.802 -0.420 131 2HE2 GLN 13 2HE2 GLN 13 3.836 -5.922 -1.782 132 H SER 14 H SER 14 2.111 -4.338 4.697 133 HA SER 14 HA SER 14 -0.611 -4.960 4.146 134 1HB SER 14 2HB SER 14 0.586 -4.244 6.832 135 2HB SER 14 1HB SER 14 -0.831 -5.247 6.518 136 HG SER 14 HG SER 14 1.902 -5.844 6.134 137 H GLN 15 H GLN 15 1.076 -2.143 5.467 138 HA GLN 15 HA GLN 15 -1.189 -0.594 6.086 139 1HB GLN 15 2HB GLN 15 1.125 -0.112 6.871 140 2HB GLN 15 1HB GLN 15 1.545 0.375 5.235 141 1HG GLN 15 2HG GLN 15 1.127 2.323 6.567 142 2HG GLN 15 1HG GLN 15 -0.144 2.161 5.357 143 1HE2 GLN 15 1HE2 GLN 15 0.065 0.242 8.270 144 2HE2 GLN 15 2HE2 GLN 15 -1.333 0.909 9.037 145 H GLY 16 H GLY 16 0.770 -0.855 3.149 146 1HA GLY 16 2HA GLY 16 -0.455 1.183 1.667 147 2HA GLY 16 1HA GLY 16 0.355 -0.222 0.987 148 H TYR 17 H TYR 17 -1.304 -2.235 2.017 149 HA TYR 17 HA TYR 17 -3.403 -2.253 0.154 150 1HB TYR 17 2HB TYR 17 -2.439 -4.312 1.101 151 2HB TYR 17 1HB TYR 17 -3.101 -3.898 2.681 152 HD1 TYR 17 HD2 TYR 17 -4.181 -4.517 -0.837 153 HD2 TYR 17 HD1 TYR 17 -5.175 -4.728 3.293 154 HE1 TYR 17 HE2 TYR 17 -6.267 -5.683 -1.405 155 HE2 TYR 17 HE1 TYR 17 -7.263 -5.896 2.740 156 HH TYR 17 HH TYR 17 -7.915 -7.111 -0.419 157 H LYS 18 H LYS 18 -3.457 -1.742 3.681 158 HA LYS 18 HA LYS 18 -6.219 -1.187 3.853 159 1HB LYS 18 2HB LYS 18 -4.778 -1.749 5.797 160 2HB LYS 18 1HB LYS 18 -3.977 -0.196 5.630 161 1HG LYS 18 2HG LYS 18 -6.101 0.942 6.080 162 2HG LYS 18 1HG LYS 18 -6.881 -0.627 6.285 163 1HD LYS 18 2HD LYS 18 -5.356 -1.125 8.147 164 2HD LYS 18 1HD LYS 18 -4.611 0.465 7.950 165 1HE LYS 18 2HE LYS 18 -6.224 0.527 9.756 166 2HE LYS 18 1HE LYS 18 -6.779 1.521 8.411 167 1HZ LYS 18 1HZ LYS 18 -8.586 0.206 9.297 168 2HZ LYS 18 2HZ LYS 18 -7.716 -1.227 9.045 169 3HZ LYS 18 3HZ LYS 18 -8.228 -0.306 7.718 170 H ALA 19 H ALA 19 -3.408 0.848 3.219 171 HA ALA 19 HA ALA 19 -4.759 3.332 3.324 172 1HB ALA 19 1HB ALA 19 -2.277 2.606 1.779 173 2HB ALA 19 2HB ALA 19 -2.325 3.135 3.460 174 3HB ALA 19 3HB ALA 19 -2.822 4.236 2.177 175 H GLY 20 H GLY 20 -4.553 0.860 0.912 176 1HA GLY 20 2HA GLY 20 -5.393 2.334 -1.337 177 2HA GLY 20 1HA GLY 20 -5.669 0.621 -1.071 178 H LEU 21 H LEU 21 -7.202 0.699 1.212 179 HA LEU 21 HA LEU 21 -9.739 1.580 0.122 180 1HB LEU 21 2HB LEU 21 -9.109 0.169 2.720 181 2HB LEU 21 1HB LEU 21 -10.714 0.465 2.102 182 HG LEU 21 HG LEU 21 -10.489 -1.703 1.490 183 1HD1 LEU 21 1HD1 LEU 21 -9.109 -0.321 -0.798 184 2HD1 LEU 21 2HD1 LEU 21 -10.845 -0.552 -0.588 185 3HD1 LEU 21 3HD1 LEU 21 -9.797 -1.947 -0.852 186 1HD2 LEU 21 1HD2 LEU 21 -8.314 -2.012 2.491 187 2HD2 LEU 21 2HD2 LEU 21 -7.540 -1.270 1.092 188 3HD2 LEU 21 3HD2 LEU 21 -8.388 -2.807 0.917 189 H ASN 22 H ASN 22 -7.887 2.071 3.102 190 HA ASN 22 HA ASN 22 -9.773 4.101 3.998 191 1HB ASN 22 2HB ASN 22 -7.541 2.574 5.301 192 2HB ASN 22 1HB ASN 22 -8.248 3.984 6.066 193 1HD2 ASN 22 1HD2 ASN 22 -10.205 1.880 4.118 194 2HD2 ASN 22 2HD2 ASN 22 -11.072 1.148 5.420 195 H GLY 23 H GLY 23 -6.450 3.839 2.883 196 1HA GLY 23 2HA GLY 23 -5.649 6.340 4.095 197 2HA GLY 23 1HA GLY 23 -4.687 5.354 3.002 198 H ARG 24 H ARG 24 -7.180 5.424 1.238 199 HA ARG 24 HA ARG 24 -7.959 6.529 -0.568 200 1HB ARG 24 2HB ARG 24 -8.707 8.217 1.000 201 2HB ARG 24 1HB ARG 24 -7.121 8.970 0.983 202 1HG ARG 24 2HG ARG 24 -7.411 9.575 -1.353 203 2HG ARG 24 1HG ARG 24 -8.979 8.767 -1.377 204 1HD ARG 24 2HD ARG 24 -9.811 10.318 0.307 205 2HD ARG 24 1HD ARG 24 -8.241 11.117 0.360 206 HE ARG 24 HE ARG 24 -8.673 11.630 -2.082 207 1HH1 ARG 24 1HH1 ARG 24 -11.264 11.204 0.238 208 2HH1 ARG 24 2HH1 ARG 24 -12.377 12.222 -0.612 209 1HH2 ARG 24 1HH2 ARG 24 -10.114 12.998 -3.193 210 2HH2 ARG 24 2HH2 ARG 24 -11.728 13.232 -2.589 211 H SER 25 H SER 25 -5.188 8.594 0.266 212 HA SER 25 HA SER 25 -4.371 8.455 -2.543 213 1HB SER 25 2HB SER 25 -3.557 10.373 -0.363 214 2HB SER 25 1HB SER 25 -3.092 10.494 -2.051 215 HG SER 25 HG SER 25 -4.918 11.827 -1.456 216 H GLN 26 H GLN 26 -2.010 8.633 -2.959 217 HA GLN 26 HA GLN 26 -0.541 6.611 -1.515 218 1HB GLN 26 2HB GLN 26 0.521 8.475 -3.633 219 2HB GLN 26 1HB GLN 26 1.133 6.886 -3.191 220 1HG GLN 26 2HG GLN 26 -0.827 5.824 -4.083 221 2HG GLN 26 1HG GLN 26 -1.568 7.390 -4.411 222 1HE2 GLN 26 1HE2 GLN 26 1.813 6.788 -4.952 223 2HE2 GLN 26 2HE2 GLN 26 1.753 6.810 -6.682 224 H GLU 27 H GLU 27 -1.124 9.836 -1.104 225 HA GLU 27 HA GLU 27 1.285 10.851 -0.083 226 1HB GLU 27 2HB GLU 27 -0.678 12.237 -0.635 227 2HB GLU 27 1HB GLU 27 -1.568 11.505 0.691 228 1HG GLU 27 2HG GLU 27 0.217 12.407 2.225 229 2HG GLU 27 1HG GLU 27 0.800 13.338 0.848 230 H ALA 28 H ALA 28 -0.872 8.507 1.084 231 HA ALA 28 HA ALA 28 -0.345 8.883 3.891 232 1HB ALA 28 1HB ALA 28 -1.765 6.647 2.455 233 2HB ALA 28 2HB ALA 28 -2.525 8.113 3.072 234 3HB ALA 28 3HB ALA 28 -1.796 6.958 4.192 235 H CYS 29 H CYS 29 1.917 8.256 2.030 236 HA CYS 29 HA CYS 29 2.836 5.758 3.286 237 1HB CYS 29 2HB CYS 29 2.710 5.743 0.792 238 2HB CYS 29 1HB CYS 29 3.881 7.057 0.758 239 HG CYS 29 HG CYS 29 4.348 3.779 1.391 240 HA PRO 30 HA PRO 30 5.554 8.994 5.099 241 1HB PRO 30 2HB PRO 30 4.993 8.626 7.657 242 2HB PRO 30 1HB PRO 30 3.799 9.388 6.599 243 1HG PRO 30 2HG PRO 30 3.923 6.559 7.585 244 2HG PRO 30 1HG PRO 30 2.522 7.640 7.467 245 1HD PRO 30 2HD PRO 30 3.212 5.710 5.584 246 2HD PRO 30 1HD PRO 30 2.161 7.106 5.286 247 H TYR 31 H TYR 31 6.439 6.316 4.236 248 HA TYR 31 HA TYR 31 7.982 5.453 6.593 249 1HB TYR 31 2HB TYR 31 7.056 3.806 4.234 250 2HB TYR 31 1HB TYR 31 8.048 3.207 5.560 251 HD1 TYR 31 HD2 TYR 31 7.067 3.444 7.939 252 HD2 TYR 31 HD1 TYR 31 4.720 3.703 4.399 253 HE1 TYR 31 HE2 TYR 31 5.049 2.969 9.253 254 HE2 TYR 31 HE1 TYR 31 2.689 3.237 5.709 255 HH TYR 31 HH TYR 31 2.636 3.344 9.120 256 H GLN 32 H GLN 32 8.229 5.415 3.039 257 HA GLN 32 HA GLN 32 10.941 6.338 3.083 258 1HB GLN 32 2HB GLN 32 11.225 3.948 3.726 259 2HB GLN 32 1HB GLN 32 10.374 3.463 2.275 260 1HG GLN 32 2HG GLN 32 12.717 3.135 1.970 261 2HG GLN 32 1HG GLN 32 12.182 4.435 0.916 262 1HE2 GLN 32 1HE2 GLN 32 14.848 3.833 1.850 263 2HE2 GLN 32 2HE2 GLN 32 15.403 5.243 2.692 264 H GLN 33 H GLN 33 11.756 6.083 0.600 265 HA GLN 33 HA GLN 33 9.470 6.887 -1.004 266 1HB GLN 33 2HB GLN 33 12.429 7.186 -1.373 267 2HB GLN 33 1HB GLN 33 11.263 7.598 -2.612 268 1HG GLN 33 2HG GLN 33 11.300 8.809 0.137 269 2HG GLN 33 1HG GLN 33 12.067 9.530 -1.278 270 1HE2 GLN 33 1HE2 GLN 33 10.802 10.396 -2.895 271 2HE2 GLN 33 2HE2 GLN 33 9.123 10.735 -2.677 272 H VAL 34 H VAL 34 12.467 5.202 -1.915 273 HA VAL 34 HA VAL 34 11.112 3.982 -4.125 274 HB VAL 34 HB VAL 34 13.889 3.457 -3.043 275 1HG1 VAL 34 1HG1 VAL 34 13.063 1.628 -4.428 276 2HG1 VAL 34 2HG1 VAL 34 14.355 2.510 -5.245 277 3HG1 VAL 34 3HG1 VAL 34 12.673 2.768 -5.712 278 1HG2 VAL 34 1HG2 VAL 34 12.961 5.276 -5.264 279 2HG2 VAL 34 2HG2 VAL 34 14.641 4.948 -4.835 280 3HG2 VAL 34 3HG2 VAL 34 13.588 5.781 -3.693 281 H ASP 35 H ASP 35 12.577 2.791 -1.142 282 HA ASP 35 HA ASP 35 12.024 0.056 -1.453 283 1HB ASP 35 2HB ASP 35 12.047 1.612 1.151 284 2HB ASP 35 1HB ASP 35 12.288 -0.119 0.973 285 H ALA 36 H ALA 36 10.304 2.578 0.264 286 HA ALA 36 HA ALA 36 8.159 1.094 1.188 287 1HB ALA 36 1HB ALA 36 8.584 3.218 2.105 288 2HB ALA 36 2HB ALA 36 7.006 3.314 1.320 289 3HB ALA 36 3HB ALA 36 8.431 4.013 0.533 290 H ARG 37 H ARG 37 8.313 3.152 -1.743 291 HA ARG 37 HA ARG 37 5.640 2.665 -2.453 292 1HB ARG 37 2HB ARG 37 8.007 3.623 -4.048 293 2HB ARG 37 1HB ARG 37 6.402 3.458 -4.755 294 1HG ARG 37 2HG ARG 37 5.489 5.023 -3.180 295 2HG ARG 37 1HG ARG 37 7.022 5.110 -2.321 296 1HD ARG 37 2HD ARG 37 8.072 6.153 -4.232 297 2HD ARG 37 1HD ARG 37 6.593 5.974 -5.176 298 HE ARG 37 HE ARG 37 6.021 7.384 -2.814 299 1HH1 ARG 37 1HH1 ARG 37 7.704 7.850 -5.854 300 2HH1 ARG 37 2HH1 ARG 37 7.459 9.574 -5.855 301 1HH2 ARG 37 1HH2 ARG 37 5.672 9.609 -2.820 302 2HH2 ARG 37 2HH2 ARG 37 6.294 10.581 -4.127 303 H SER 38 H SER 38 8.492 0.731 -2.941 304 HA SER 38 HA SER 38 7.445 -0.812 -5.095 305 1HB SER 38 2HB SER 38 9.652 -1.468 -3.122 306 2HB SER 38 1HB SER 38 9.309 -2.358 -4.607 307 HG SER 38 HG SER 38 10.344 0.248 -4.280 308 H TYR 39 H TYR 39 7.402 -1.092 -1.570 309 HA TYR 39 HA TYR 39 5.804 -3.526 -1.786 310 1HB TYR 39 2HB TYR 39 7.230 -2.161 0.423 311 2HB TYR 39 1HB TYR 39 5.821 -3.127 0.846 312 HD1 TYR 39 HD1 TYR 39 9.224 -3.223 -0.549 313 HD2 TYR 39 HD2 TYR 39 5.860 -5.519 0.673 314 HE1 TYR 39 HE1 TYR 39 10.596 -5.265 -0.616 315 HE2 TYR 39 HE2 TYR 39 7.219 -7.563 0.603 316 HH TYR 39 HH TYR 39 9.317 -8.340 -0.617 317 H TRP 40 H TRP 40 5.502 -0.310 -0.384 318 HA TRP 40 HA TRP 40 2.934 -0.585 0.686 319 1HB TRP 40 2HB TRP 40 4.663 1.151 1.238 320 2HB TRP 40 1HB TRP 40 4.264 1.954 -0.272 321 HD1 TRP 40 HD1 TRP 40 3.026 1.446 3.273 322 HE1 TRP 40 HE1 TRP 40 1.074 3.066 3.712 323 HE3 TRP 40 HE3 TRP 40 2.285 3.142 -1.493 324 HZ2 TRP 40 HZ2 TRP 40 -0.541 4.837 2.245 325 HZ3 TRP 40 HZ3 TRP 40 0.513 4.799 -1.889 326 HH2 TRP 40 HH2 TRP 40 -0.876 5.627 -0.058 327 H LEU 41 H LEU 41 3.990 0.779 -2.455 328 HA LEU 41 HA LEU 41 1.329 1.531 -3.193 329 1HB LEU 41 2HB LEU 41 3.980 1.790 -4.303 330 2HB LEU 41 1HB LEU 41 2.843 1.286 -5.539 331 HG LEU 41 HG LEU 41 2.486 3.708 -3.772 332 1HD1 LEU 41 1HD1 LEU 41 3.015 4.998 -5.786 333 2HD1 LEU 41 2HD1 LEU 41 3.394 3.502 -6.637 334 3HD1 LEU 41 3HD1 LEU 41 4.376 4.006 -5.263 335 1HD2 LEU 41 1HD2 LEU 41 0.970 2.743 -6.197 336 2HD2 LEU 41 2HD2 LEU 41 0.725 4.291 -5.385 337 3HD2 LEU 41 3HD2 LEU 41 0.375 2.785 -4.535 338 H GLY 42 H GLY 42 3.040 -1.404 -3.225 339 1HA GLY 42 2HA GLY 42 1.704 -2.704 -5.371 340 2HA GLY 42 1HA GLY 42 2.492 -3.496 -4.010 341 H GLY 43 H GLY 43 1.172 -2.764 -1.859 342 1HA GLY 43 2HA GLY 43 -1.269 -4.171 -1.957 343 2HA GLY 43 1HA GLY 43 -0.709 -3.180 -0.618 344 H TRP 44 H TRP 44 -0.523 -0.731 -2.088 345 HA TRP 44 HA TRP 44 -3.089 0.305 -1.743 346 1HB TRP 44 2HB TRP 44 -0.914 1.596 -1.843 347 2HB TRP 44 1HB TRP 44 -0.986 1.441 -3.597 348 HD1 TRP 44 HD1 TRP 44 -2.868 3.097 -0.677 349 HE1 TRP 44 HE1 TRP 44 -4.196 5.101 -1.598 350 HE3 TRP 44 HE3 TRP 44 -1.987 2.435 -5.672 351 HZ2 TRP 44 HZ2 TRP 44 -4.787 6.253 -4.113 352 HZ3 TRP 44 HZ3 TRP 44 -2.968 4.037 -7.266 353 HH2 TRP 44 HH2 TRP 44 -4.337 5.906 -6.496 354 H ARG 45 H ARG 45 -1.403 -0.579 -4.740 355 HA ARG 45 HA ARG 45 -3.581 -0.075 -6.472 356 1HB ARG 45 2HB ARG 45 -1.114 -1.785 -6.728 357 2HB ARG 45 1HB ARG 45 -2.299 -1.657 -8.020 358 1HG ARG 45 2HG ARG 45 -1.874 0.667 -8.290 359 2HG ARG 45 1HG ARG 45 -0.882 0.711 -6.829 360 1HD ARG 45 2HD ARG 45 -0.200 -0.998 -9.213 361 2HD ARG 45 1HD ARG 45 0.364 0.664 -9.039 362 HE ARG 45 HE ARG 45 1.248 -0.281 -6.777 363 1HH1 ARG 45 1HH1 ARG 45 1.138 -2.042 -9.796 364 2HH1 ARG 45 2HH1 ARG 45 2.610 -2.913 -9.492 365 1HH2 ARG 45 1HH2 ARG 45 3.180 -1.433 -6.365 366 2HH2 ARG 45 2HH2 ARG 45 3.791 -2.549 -7.549 367 H ASP 46 H ASP 46 -2.527 -2.899 -4.669 368 HA ASP 46 HA ASP 46 -4.141 -4.826 -5.928 369 1HB ASP 46 2HB ASP 46 -2.206 -5.290 -4.398 370 2HB ASP 46 1HB ASP 46 -3.230 -4.833 -3.045 371 H ALA 47 H ALA 47 -4.652 -2.926 -2.989 372 HA ALA 47 HA ALA 47 -7.177 -3.879 -2.286 373 1HB ALA 47 1HB ALA 47 -5.802 -2.479 -0.835 374 2HB ALA 47 2HB ALA 47 -7.415 -1.800 -1.033 375 3HB ALA 47 3HB ALA 47 -6.054 -1.106 -1.910 376 H ARG 48 H ARG 48 -6.305 -1.077 -4.277 377 HA ARG 48 HA ARG 48 -8.878 -0.208 -4.887 378 1HB ARG 48 2HB ARG 48 -6.274 -0.013 -6.386 379 2HB ARG 48 1HB ARG 48 -7.753 0.721 -6.992 380 1HG ARG 48 2HG ARG 48 -6.588 1.302 -4.280 381 2HG ARG 48 1HG ARG 48 -6.270 2.268 -5.723 382 1HD ARG 48 2HD ARG 48 -8.455 3.021 -5.862 383 2HD ARG 48 1HD ARG 48 -9.080 1.690 -4.892 384 HE ARG 48 HE ARG 48 -7.895 2.812 -2.976 385 1HH1 ARG 48 1HH1 ARG 48 -8.945 4.659 -5.765 386 2HH1 ARG 48 2HH1 ARG 48 -9.238 6.111 -4.840 387 1HH2 ARG 48 1HH2 ARG 48 -8.301 4.673 -1.772 388 2HH2 ARG 48 2HH2 ARG 48 -8.909 6.102 -2.548 389 H ASP 49 H ASP 49 -6.789 -2.475 -6.674 390 HA ASP 49 HA ASP 49 -8.713 -2.859 -8.738 391 1HB ASP 49 2HB ASP 49 -6.262 -3.159 -9.059 392 2HB ASP 49 1HB ASP 49 -6.348 -4.612 -8.067 393 H GLU 50 H GLU 50 -8.576 -4.082 -5.591 394 HA GLU 50 HA GLU 50 -9.723 -6.672 -6.261 395 1HB GLU 50 2HB GLU 50 -8.163 -6.469 -4.314 396 2HB GLU 50 1HB GLU 50 -9.353 -5.447 -3.514 397 1HG GLU 50 2HG GLU 50 -10.980 -7.346 -3.724 398 2HG GLU 50 1HG GLU 50 -9.635 -8.347 -4.265 399 H LYS 51 H LYS 51 -10.643 -3.539 -5.053 400 HA LYS 51 HA LYS 51 -13.381 -4.411 -4.574 401 1HB LYS 51 2HB LYS 51 -12.145 -2.642 -3.179 402 2HB LYS 51 1HB LYS 51 -12.371 -1.567 -4.550 403 1HG LYS 51 2HG LYS 51 -14.783 -1.821 -4.376 404 2HG LYS 51 1HG LYS 51 -14.572 -2.935 -3.029 405 1HD LYS 51 2HD LYS 51 -13.413 -1.090 -1.797 406 2HD LYS 51 1HD LYS 51 -13.872 -0.006 -3.112 407 1HE LYS 51 2HE LYS 51 -15.761 -1.587 -1.373 408 2HE LYS 51 1HE LYS 51 -15.438 0.139 -1.236 409 1HZ LYS 51 1HZ LYS 51 -16.591 -1.160 -3.650 410 2HZ LYS 51 2HZ LYS 51 -16.418 0.501 -3.378 411 3HZ LYS 51 3HZ LYS 51 -17.506 -0.397 -2.444 412 H GLN 52 H GLN 52 -11.350 -3.161 -6.937 413 HA GLN 52 HA GLN 52 -13.360 -2.083 -8.680 414 1HB GLN 52 2HB GLN 52 -10.461 -2.590 -8.738 415 2HB GLN 52 1HB GLN 52 -11.265 -2.580 -10.309 416 1HG GLN 52 2HG GLN 52 -11.278 -0.362 -8.272 417 2HG GLN 52 1HG GLN 52 -10.362 -0.394 -9.776 418 1HE2 GLN 52 1HE2 GLN 52 -12.313 1.545 -8.891 419 2HE2 GLN 52 2HE2 GLN 52 -13.584 1.547 -10.074 420 H SER 53 H SER 53 -11.457 -5.083 -8.623 421 HA SER 53 HA SER 53 -12.850 -6.270 -10.802 422 1HB SER 53 2HB SER 53 -11.210 -7.602 -8.631 423 2HB SER 53 1HB SER 53 -11.685 -8.329 -10.166 424 HG SER 53 HG SER 53 -9.731 -6.414 -9.617 425 H GLY 54 H GLY 54 -13.529 -5.889 -7.461 426 1HA GLY 54 2HA GLY 54 -15.508 -8.016 -7.418 427 2HA GLY 54 1HA GLY 54 -15.132 -6.918 -6.098 428 H LEU 55 H LEU 55 -15.427 -5.069 -8.761 429 HA LEU 55 HA LEU 55 -17.007 -3.872 -9.848 430 1HB LEU 55 2HB LEU 55 -18.179 -6.159 -9.893 431 2HB LEU 55 1HB LEU 55 -19.153 -5.540 -8.574 432 HG LEU 55 HG LEU 55 -19.925 -3.700 -10.025 433 1HD1 LEU 55 1HD1 LEU 55 -18.343 -5.145 -12.145 434 2HD1 LEU 55 2HD1 LEU 55 -17.986 -3.550 -11.480 435 3HD1 LEU 55 3HD1 LEU 55 -19.451 -3.802 -12.428 436 1HD2 LEU 55 1HD2 LEU 55 -21.334 -5.074 -11.495 437 2HD2 LEU 55 2HD2 LEU 55 -21.249 -5.729 -9.860 438 3HD2 LEU 55 3HD2 LEU 55 -20.310 -6.470 -11.155 439 H TYR 56 H TYR 56 -18.320 -4.798 -6.704 440 HA TYR 56 HA TYR 56 -18.340 -2.015 -5.851 441 1HB TYR 56 2HB TYR 56 -20.554 -2.325 -6.882 442 2HB TYR 56 1HB TYR 56 -20.835 -3.736 -5.869 443 HD1 TYR 56 HD2 TYR 56 -20.305 -0.068 -5.759 444 HD2 TYR 56 HD1 TYR 56 -21.763 -3.501 -3.715 445 HE1 TYR 56 HE2 TYR 56 -21.306 1.384 -4.046 446 HE2 TYR 56 HE1 TYR 56 -22.768 -2.058 -2.000 447 HH TYR 56 HH TYR 56 -23.013 1.352 -2.378 448 H LYS 57 H LYS 57 -19.328 -5.308 -5.040 449 HA LYS 57 HA LYS 57 -17.580 -5.564 -2.871 450 1HB LYS 57 2HB LYS 57 -19.137 -4.024 -1.740 451 2HB LYS 57 1HB LYS 57 -20.475 -5.112 -2.097 452 1HG LYS 57 2HG LYS 57 -19.331 -6.866 -0.761 453 2HG LYS 57 1HG LYS 57 -18.110 -5.672 -0.315 454 1HD LYS 57 2HD LYS 57 -19.777 -4.317 0.780 455 2HD LYS 57 1HD LYS 57 -21.065 -5.387 0.222 456 1HE LYS 57 2HE LYS 57 -20.040 -7.229 1.522 457 2HE LYS 57 1HE LYS 57 -18.838 -6.092 2.131 458 1HZ LYS 57 1HZ LYS 57 -21.769 -5.837 2.534 459 2HZ LYS 57 2HZ LYS 57 -20.570 -4.830 3.191 460 3HZ LYS 57 3HZ LYS 57 -20.682 -6.449 3.682 461 H LEU 58 H LEU 58 -17.307 -7.407 -4.282 462 HA LEU 58 HA LEU 58 -19.314 -9.483 -4.092 463 1HB LEU 58 2HB LEU 58 -16.490 -9.496 -5.149 464 2HB LEU 58 1HB LEU 58 -17.541 -10.891 -5.154 465 HG LEU 58 HG LEU 58 -18.024 -8.317 -6.653 466 1HD1 LEU 58 1HD1 LEU 58 -16.234 -9.684 -7.605 467 2HD1 LEU 58 2HD1 LEU 58 -17.658 -9.668 -8.647 468 3HD1 LEU 58 3HD1 LEU 58 -17.314 -11.077 -7.641 469 1HD2 LEU 58 1HD2 LEU 58 -19.623 -10.875 -6.646 470 2HD2 LEU 58 2HD2 LEU 58 -19.936 -9.445 -7.632 471 3HD2 LEU 58 3HD2 LEU 58 -20.107 -9.363 -5.878 472 H GLU 59 H GLU 59 -18.576 -11.657 -3.229 473 HA GLU 59 HA GLU 59 -17.049 -11.238 -0.768 474 1HB GLU 59 2HB GLU 59 -18.743 -12.646 0.428 475 2HB GLU 59 1HB GLU 59 -19.317 -11.064 -0.075 476 1HG GLU 59 2HG GLU 59 -20.418 -12.107 -2.014 477 2HG GLU 59 1HG GLU 59 -19.884 -13.686 -1.439 478 H HIS 60 H HIS 60 -15.294 -12.297 -1.708 479 HA HIS 60 HA HIS 60 -15.663 -15.020 -2.640 480 1HB HIS 60 2HB HIS 60 -13.186 -14.993 -3.014 481 2HB HIS 60 1HB HIS 60 -14.065 -13.749 -3.890 482 HD1 HIS 60 HD1 HIS 60 -13.105 -11.481 -3.746 483 HD2 HIS 60 HD2 HIS 60 -11.882 -13.877 -0.572 484 HE1 HIS 60 HE1 HIS 60 -11.428 -10.110 -2.466 485 HE2 HIS 60 HE2 HIS 60 -10.580 -11.637 -0.654 Start of MODEL 14 1 1H MET 1 1H MET 1 20.980 -2.576 11.566 2 2H MET 1 2H MET 1 19.330 -2.495 11.186 3 3H MET 1 3H MET 1 20.398 -1.331 10.579 4 HA MET 1 HA MET 1 21.524 -2.977 9.249 5 1HB MET 1 2HB MET 1 19.427 -4.853 10.370 6 2HB MET 1 1HB MET 1 20.519 -5.239 9.049 7 1HG MET 1 2HG MET 1 22.427 -4.981 10.545 8 2HG MET 1 1HG MET 1 21.333 -4.601 11.873 9 1HE MET 1 1HE MET 1 20.869 -7.265 8.994 10 2HE MET 1 2HE MET 1 21.567 -8.694 9.759 11 3HE MET 1 3HE MET 1 22.591 -7.313 9.369 12 H LYS 2 H LYS 2 20.883 -3.237 7.105 13 HA LYS 2 HA LYS 2 18.565 -1.802 6.280 14 1HB LYS 2 2HB LYS 2 19.182 -2.426 4.020 15 2HB LYS 2 1HB LYS 2 20.630 -1.971 4.907 16 1HG LYS 2 2HG LYS 2 21.259 -4.265 5.189 17 2HG LYS 2 1HG LYS 2 19.734 -4.814 4.492 18 1HD LYS 2 2HD LYS 2 20.356 -3.753 2.358 19 2HD LYS 2 1HD LYS 2 21.903 -3.281 3.067 20 1HE LYS 2 2HE LYS 2 22.192 -5.293 1.761 21 2HE LYS 2 1HE LYS 2 22.415 -5.656 3.470 22 1HZ LYS 2 1HZ LYS 2 21.092 -7.367 2.502 23 2HZ LYS 2 2HZ LYS 2 20.023 -6.249 1.812 24 3HZ LYS 2 3HZ LYS 2 20.070 -6.444 3.495 25 H ARG 3 H ARG 3 19.210 -5.094 7.042 26 HA ARG 3 HA ARG 3 17.145 -6.394 5.670 27 1HB ARG 3 2HB ARG 3 19.067 -7.444 6.935 28 2HB ARG 3 1HB ARG 3 18.187 -7.100 8.416 29 1HG ARG 3 2HG ARG 3 16.328 -8.507 7.584 30 2HG ARG 3 1HG ARG 3 17.320 -8.919 6.181 31 1HD ARG 3 2HD ARG 3 19.061 -9.765 7.733 32 2HD ARG 3 1HD ARG 3 17.953 -9.478 9.073 33 HE ARG 3 HE ARG 3 16.860 -11.155 7.003 34 1HH1 ARG 3 1HH1 ARG 3 18.765 -11.036 9.929 35 2HH1 ARG 3 2HH1 ARG 3 18.529 -12.707 10.320 36 1HH2 ARG 3 1HH2 ARG 3 16.555 -13.391 7.490 37 2HH2 ARG 3 2HH2 ARG 3 17.278 -14.055 8.929 38 H GLN 4 H GLN 4 17.131 -4.329 8.421 39 HA GLN 4 HA GLN 4 14.624 -5.171 9.494 40 1HB GLN 4 2HB GLN 4 16.417 -2.806 9.994 41 2HB GLN 4 1HB GLN 4 14.864 -2.984 10.802 42 1HG GLN 4 2HG GLN 4 15.561 -5.001 11.861 43 2HG GLN 4 1HG GLN 4 17.030 -5.067 10.894 44 1HE2 GLN 4 1HE2 GLN 4 15.390 -3.434 13.502 45 2HE2 GLN 4 2HE2 GLN 4 16.802 -2.714 14.194 46 H LYS 5 H LYS 5 15.478 -3.339 6.793 47 HA LYS 5 HA LYS 5 13.270 -1.592 6.611 48 1HB LYS 5 2HB LYS 5 14.868 -3.011 4.479 49 2HB LYS 5 1HB LYS 5 13.559 -1.907 4.098 50 1HG LYS 5 2HG LYS 5 14.791 -0.117 5.304 51 2HG LYS 5 1HG LYS 5 16.140 -1.246 5.499 52 1HD LYS 5 2HD LYS 5 16.348 -1.468 3.099 53 2HD LYS 5 1HD LYS 5 14.932 -0.450 2.850 54 1HE LYS 5 2HE LYS 5 16.154 1.411 3.954 55 2HE LYS 5 1HE LYS 5 17.581 0.377 4.026 56 1HZ LYS 5 1HZ LYS 5 17.651 1.847 2.107 57 2HZ LYS 5 2HZ LYS 5 16.173 1.222 1.544 58 3HZ LYS 5 3HZ LYS 5 17.550 0.228 1.611 59 H ARG 6 H ARG 6 13.709 -4.998 6.014 60 HA ARG 6 HA ARG 6 11.415 -5.542 4.527 61 1HB ARG 6 2HB ARG 6 13.294 -7.119 4.846 62 2HB ARG 6 1HB ARG 6 12.794 -7.347 6.517 63 1HG ARG 6 2HG ARG 6 10.628 -8.211 5.714 64 2HG ARG 6 1HG ARG 6 11.223 -8.070 4.058 65 1HD ARG 6 2HD ARG 6 12.988 -9.650 4.517 66 2HD ARG 6 1HD ARG 6 12.519 -9.727 6.216 67 HE ARG 6 HE ARG 6 10.496 -10.473 4.256 68 1HH1 ARG 6 1HH1 ARG 6 12.933 -11.514 6.527 69 2HH1 ARG 6 2HH1 ARG 6 12.277 -13.112 6.704 70 1HH2 ARG 6 1HH2 ARG 6 9.618 -12.541 4.465 71 2HH2 ARG 6 2HH2 ARG 6 10.375 -13.711 5.509 72 H ASP 7 H ASP 7 11.868 -5.169 7.989 73 HA ASP 7 HA ASP 7 9.376 -6.093 8.880 74 1HB ASP 7 2HB ASP 7 10.977 -5.588 10.552 75 2HB ASP 7 1HB ASP 7 11.252 -3.973 9.920 76 H ARG 8 H ARG 8 10.411 -2.809 8.093 77 HA ARG 8 HA ARG 8 7.806 -1.733 8.524 78 1HB ARG 8 2HB ARG 8 8.790 0.366 8.134 79 2HB ARG 8 1HB ARG 8 10.051 -0.596 8.896 80 1HG ARG 8 2HG ARG 8 10.792 -1.083 6.455 81 2HG ARG 8 1HG ARG 8 9.840 0.351 6.069 82 1HD ARG 8 2HD ARG 8 12.238 0.135 7.877 83 2HD ARG 8 1HD ARG 8 12.068 1.085 6.403 84 HE ARG 8 HE ARG 8 10.391 1.736 8.718 85 1HH1 ARG 8 1HH1 ARG 8 12.959 2.626 6.510 86 2HH1 ARG 8 2HH1 ARG 8 13.068 4.251 7.092 87 1HH2 ARG 8 1HH2 ARG 8 10.555 3.868 9.508 88 2HH2 ARG 8 2HH2 ARG 8 11.726 4.957 8.811 89 H LEU 9 H LEU 9 9.410 -3.158 5.863 90 HA LEU 9 HA LEU 9 7.658 -1.988 3.872 91 1HB LEU 9 2HB LEU 9 9.744 -4.158 3.719 92 2HB LEU 9 1HB LEU 9 8.781 -3.644 2.345 93 HG LEU 9 HG LEU 9 10.680 -1.886 3.905 94 1HD1 LEU 9 1HD1 LEU 9 12.070 -1.971 1.914 95 2HD1 LEU 9 2HD1 LEU 9 10.921 -3.057 1.135 96 3HD1 LEU 9 3HD1 LEU 9 11.817 -3.593 2.555 97 1HD2 LEU 9 1HD2 LEU 9 10.267 -0.256 2.142 98 2HD2 LEU 9 2HD2 LEU 9 8.781 -0.654 3.006 99 3HD2 LEU 9 3HD2 LEU 9 9.084 -1.340 1.409 100 H GLU 10 H GLU 10 7.966 -5.023 5.642 101 HA GLU 10 HA GLU 10 5.920 -6.448 4.322 102 1HB GLU 10 2HB GLU 10 7.603 -7.288 6.085 103 2HB GLU 10 1HB GLU 10 6.488 -6.638 7.278 104 1HG GLU 10 2HG GLU 10 5.963 -8.906 7.116 105 2HG GLU 10 1HG GLU 10 4.713 -8.081 6.185 106 H ARG 11 H ARG 11 5.970 -4.120 6.909 107 HA ARG 11 HA ARG 11 3.171 -4.282 7.498 108 1HB ARG 11 2HB ARG 11 5.345 -2.368 8.350 109 2HB ARG 11 1HB ARG 11 3.662 -2.144 8.810 110 1HG ARG 11 2HG ARG 11 3.709 -4.401 9.847 111 2HG ARG 11 1HG ARG 11 5.440 -4.470 9.512 112 1HD ARG 11 2HD ARG 11 4.193 -2.225 11.070 113 2HD ARG 11 1HD ARG 11 4.720 -3.719 11.840 114 HE ARG 11 HE ARG 11 6.978 -3.175 10.912 115 1HH1 ARG 11 1HH1 ARG 11 4.624 -0.637 11.461 116 2HH1 ARG 11 2HH1 ARG 11 5.822 0.571 11.801 117 1HH2 ARG 11 1HH2 ARG 11 8.545 -1.608 11.375 118 2HH2 ARG 11 2HH2 ARG 11 8.045 0.025 11.748 119 H ALA 12 H ALA 12 5.306 -2.269 5.584 120 HA ALA 12 HA ALA 12 3.420 -0.348 4.760 121 1HB ALA 12 1HB ALA 12 5.844 -0.084 4.425 122 2HB ALA 12 2HB ALA 12 4.938 0.136 2.928 123 3HB ALA 12 3HB ALA 12 5.804 -1.372 3.218 124 H GLN 13 H GLN 13 4.090 -3.618 3.722 125 HA GLN 13 HA GLN 13 2.715 -3.471 1.233 126 1HB GLN 13 2HB GLN 13 4.290 -5.302 1.847 127 2HB GLN 13 1HB GLN 13 3.096 -5.909 2.986 128 1HG GLN 13 2HG GLN 13 1.519 -6.225 1.115 129 2HG GLN 13 1HG GLN 13 2.780 -5.705 0.000 130 1HE2 GLN 13 1HE2 GLN 13 4.852 -7.063 1.608 131 2HE2 GLN 13 2HE2 GLN 13 4.700 -8.745 1.238 132 H SER 14 H SER 14 1.727 -4.674 4.416 133 HA SER 14 HA SER 14 -0.993 -5.060 3.704 134 1HB SER 14 2HB SER 14 0.112 -6.214 5.613 135 2HB SER 14 1HB SER 14 0.229 -4.670 6.452 136 HG SER 14 HG SER 14 -2.033 -6.240 5.897 137 H GLN 15 H GLN 15 0.863 -2.387 4.998 138 HA GLN 15 HA GLN 15 -1.307 -0.766 5.799 139 1HB GLN 15 2HB GLN 15 1.047 -0.436 6.534 140 2HB GLN 15 1HB GLN 15 1.439 0.125 4.916 141 1HG GLN 15 2HG GLN 15 1.137 2.018 6.344 142 2HG GLN 15 1HG GLN 15 -0.199 1.953 5.195 143 1HE2 GLN 15 1HE2 GLN 15 0.762 1.538 8.499 144 2HE2 GLN 15 2HE2 GLN 15 -0.834 1.536 9.177 145 H GLY 16 H GLY 16 0.513 -1.031 2.763 146 1HA GLY 16 2HA GLY 16 -0.660 1.127 1.414 147 2HA GLY 16 1HA GLY 16 -0.010 -0.315 0.641 148 H TYR 17 H TYR 17 -1.694 -2.238 1.698 149 HA TYR 17 HA TYR 17 -3.967 -2.086 0.044 150 1HB TYR 17 2HB TYR 17 -2.796 -4.140 1.134 151 2HB TYR 17 1HB TYR 17 -3.825 -3.799 2.519 152 HD1 TYR 17 HD2 TYR 17 -6.344 -3.862 2.201 153 HD2 TYR 17 HD1 TYR 17 -3.609 -5.283 -0.735 154 HE1 TYR 17 HE2 TYR 17 -8.148 -5.173 1.162 155 HE2 TYR 17 HE1 TYR 17 -5.399 -6.595 -1.784 156 HH TYR 17 HH TYR 17 -7.510 -7.538 -1.285 157 H LYS 18 H LYS 18 -3.559 -1.693 3.524 158 HA LYS 18 HA LYS 18 -6.223 -1.018 4.161 159 1HB LYS 18 2HB LYS 18 -4.645 -1.781 5.828 160 2HB LYS 18 1HB LYS 18 -3.600 -0.409 5.527 161 1HG LYS 18 2HG LYS 18 -5.307 1.083 6.432 162 2HG LYS 18 1HG LYS 18 -6.353 -0.309 6.739 163 1HD LYS 18 2HD LYS 18 -4.682 -1.245 8.247 164 2HD LYS 18 1HD LYS 18 -3.596 0.102 7.903 165 1HE LYS 18 2HE LYS 18 -5.170 1.655 8.893 166 2HE LYS 18 1HE LYS 18 -6.312 0.341 9.184 167 1HZ LYS 18 1HZ LYS 18 -4.640 -0.696 10.626 168 2HZ LYS 18 2HZ LYS 18 -5.100 0.835 11.190 169 3HZ LYS 18 3HZ LYS 18 -3.615 0.636 10.396 170 H ALA 19 H ALA 19 -3.441 0.899 3.179 171 HA ALA 19 HA ALA 19 -4.564 3.438 3.684 172 1HB ALA 19 1HB ALA 19 -2.427 2.690 1.698 173 2HB ALA 19 2HB ALA 19 -2.161 3.085 3.397 174 3HB ALA 19 3HB ALA 19 -2.779 4.313 2.291 175 H GLY 20 H GLY 20 -5.021 1.141 1.162 176 1HA GLY 20 2HA GLY 20 -6.121 2.857 -0.796 177 2HA GLY 20 1HA GLY 20 -6.468 1.150 -0.599 178 H LEU 21 H LEU 21 -7.394 1.448 2.128 179 HA LEU 21 HA LEU 21 -10.077 2.441 1.527 180 1HB LEU 21 2HB LEU 21 -9.048 0.809 3.856 181 2HB LEU 21 1HB LEU 21 -10.712 1.289 3.641 182 HG LEU 21 HG LEU 21 -10.721 -0.912 2.941 183 1HD1 LEU 21 1HD1 LEU 21 -10.189 0.637 0.416 184 2HD1 LEU 21 2HD1 LEU 21 -11.742 0.499 1.245 185 3HD1 LEU 21 3HD1 LEU 21 -10.995 -0.929 0.525 186 1HD2 LEU 21 1HD2 LEU 21 -8.123 -0.429 1.498 187 2HD2 LEU 21 2HD2 LEU 21 -9.013 -1.952 1.544 188 3HD2 LEU 21 3HD2 LEU 21 -8.323 -1.290 3.025 189 H ASN 22 H ASN 22 -7.568 2.674 4.003 190 HA ASN 22 HA ASN 22 -9.038 4.793 5.358 191 1HB ASN 22 2HB ASN 22 -6.742 3.012 6.111 192 2HB ASN 22 1HB ASN 22 -7.168 4.427 7.063 193 1HD2 ASN 22 1HD2 ASN 22 -9.048 4.409 8.286 194 2HD2 ASN 22 2HD2 ASN 22 -9.959 2.960 8.553 195 H GLY 23 H GLY 23 -6.066 4.315 3.549 196 1HA GLY 23 2HA GLY 23 -4.859 6.718 4.681 197 2HA GLY 23 1HA GLY 23 -4.126 5.639 3.500 198 H ARG 24 H ARG 24 -6.790 5.847 2.090 199 HA ARG 24 HA ARG 24 -7.616 6.843 0.253 200 1HB ARG 24 2HB ARG 24 -8.221 8.623 1.826 201 2HB ARG 24 1HB ARG 24 -6.660 9.386 1.555 202 1HG ARG 24 2HG ARG 24 -7.226 9.743 -0.782 203 2HG ARG 24 1HG ARG 24 -8.782 8.948 -0.535 204 1HD ARG 24 2HD ARG 24 -9.357 10.695 1.123 205 2HD ARG 24 1HD ARG 24 -7.834 11.507 0.750 206 HE ARG 24 HE ARG 24 -9.093 11.171 -1.670 207 1HH1 ARG 24 1HH1 ARG 24 -9.821 12.758 1.359 208 2HH1 ARG 24 2HH1 ARG 24 -10.840 13.965 0.638 209 1HH2 ARG 24 1HH2 ARG 24 -10.453 12.732 -2.634 210 2HH2 ARG 24 2HH2 ARG 24 -11.222 13.931 -1.639 211 H SER 25 H SER 25 -4.881 9.058 0.750 212 HA SER 25 HA SER 25 -4.285 8.806 -2.086 213 1HB SER 25 2HB SER 25 -3.017 10.661 -0.069 214 2HB SER 25 1HB SER 25 -2.984 10.812 -1.822 215 HG SER 25 HG SER 25 -4.641 12.020 -0.362 216 H GLN 26 H GLN 26 -1.980 8.823 -2.751 217 HA GLN 26 HA GLN 26 -0.528 6.671 -1.454 218 1HB GLN 26 2HB GLN 26 0.422 8.365 -3.756 219 2HB GLN 26 1HB GLN 26 0.875 6.715 -3.364 220 1HG GLN 26 2HG GLN 26 -1.220 5.867 -4.050 221 2HG GLN 26 1HG GLN 26 -1.911 7.484 -4.157 222 1HE2 GLN 26 1HE2 GLN 26 1.295 6.760 -5.317 223 2HE2 GLN 26 2HE2 GLN 26 0.929 6.919 -6.998 224 H GLU 27 H GLU 27 -0.713 10.004 -1.276 225 HA GLU 27 HA GLU 27 1.978 10.635 -0.596 226 1HB GLU 27 2HB GLU 27 0.173 12.193 -1.484 227 2HB GLU 27 1HB GLU 27 -0.517 12.174 0.130 228 1HG GLU 27 2HG GLU 27 2.327 12.847 0.048 229 2HG GLU 27 1HG GLU 27 1.280 13.983 -0.799 230 H ALA 28 H ALA 28 -0.368 8.896 0.976 231 HA ALA 28 HA ALA 28 0.379 9.659 3.682 232 1HB ALA 28 1HB ALA 28 -1.948 9.140 3.259 233 2HB ALA 28 2HB ALA 28 -1.256 7.950 4.361 234 3HB ALA 28 3HB ALA 28 -1.508 7.541 2.663 235 H CYS 29 H CYS 29 2.283 8.405 1.731 236 HA CYS 29 HA CYS 29 2.891 5.901 3.133 237 1HB CYS 29 2HB CYS 29 2.806 5.806 0.668 238 2HB CYS 29 1HB CYS 29 4.046 7.049 0.577 239 HG CYS 29 HG CYS 29 4.371 3.774 1.415 240 HA PRO 30 HA PRO 30 5.963 8.698 5.041 241 1HB PRO 30 2HB PRO 30 5.558 8.056 7.565 242 2HB PRO 30 1HB PRO 30 4.320 8.948 6.666 243 1HG PRO 30 2HG PRO 30 4.430 6.034 7.356 244 2HG PRO 30 1HG PRO 30 3.049 7.144 7.402 245 1HD PRO 30 2HD PRO 30 3.644 5.385 5.312 246 2HD PRO 30 1HD PRO 30 2.564 6.787 5.209 247 H TYR 31 H TYR 31 5.949 5.292 4.839 248 HA TYR 31 HA TYR 31 7.832 4.621 6.826 249 1HB TYR 31 2HB TYR 31 6.994 3.164 4.316 250 2HB TYR 31 1HB TYR 31 8.096 2.481 5.505 251 HD1 TYR 31 HD1 TYR 31 7.274 2.077 7.836 252 HD2 TYR 31 HD2 TYR 31 4.651 3.114 4.654 253 HE1 TYR 31 HE1 TYR 31 5.373 1.238 9.146 254 HE2 TYR 31 HE2 TYR 31 2.738 2.288 5.959 255 HH TYR 31 HH TYR 31 2.994 1.460 9.300 256 H GLN 32 H GLN 32 8.231 5.110 3.347 257 HA GLN 32 HA GLN 32 10.972 5.903 3.522 258 1HB GLN 32 2HB GLN 32 11.055 3.378 3.890 259 2HB GLN 32 1HB GLN 32 10.373 3.188 2.288 260 1HG GLN 32 2HG GLN 32 12.576 2.863 1.859 261 2HG GLN 32 1HG GLN 32 12.452 4.587 1.561 262 1HE2 GLN 32 1HE2 GLN 32 14.737 2.965 2.271 263 2HE2 GLN 32 2HE2 GLN 32 15.387 3.662 3.726 264 H GLN 33 H GLN 33 11.778 6.054 1.040 265 HA GLN 33 HA GLN 33 9.403 6.613 -0.527 266 1HB GLN 33 2HB GLN 33 11.082 7.586 -2.164 267 2HB GLN 33 1HB GLN 33 10.783 8.456 -0.674 268 1HG GLN 33 2HG GLN 33 12.858 7.416 0.242 269 2HG GLN 33 1HG GLN 33 13.165 6.756 -1.362 270 1HE2 GLN 33 1HE2 GLN 33 15.049 7.891 -1.662 271 2HE2 GLN 33 2HE2 GLN 33 15.077 9.601 -1.922 272 H VAL 34 H VAL 34 12.557 5.164 -1.482 273 HA VAL 34 HA VAL 34 11.276 4.076 -3.786 274 HB VAL 34 HB VAL 34 14.006 3.448 -2.653 275 1HG1 VAL 34 1HG1 VAL 34 12.867 2.959 -5.400 276 2HG1 VAL 34 2HG1 VAL 34 13.184 1.725 -4.181 277 3HG1 VAL 34 3HG1 VAL 34 14.523 2.629 -4.891 278 1HG2 VAL 34 1HG2 VAL 34 13.748 5.814 -3.170 279 2HG2 VAL 34 2HG2 VAL 34 13.150 5.413 -4.778 280 3HG2 VAL 34 3HG2 VAL 34 14.817 5.041 -4.341 281 H ASP 35 H ASP 35 12.616 2.646 -0.836 282 HA ASP 35 HA ASP 35 11.964 -0.027 -1.450 283 1HB ASP 35 2HB ASP 35 12.145 1.244 1.296 284 2HB ASP 35 1HB ASP 35 12.218 -0.475 0.950 285 H ALA 36 H ALA 36 10.296 2.466 0.380 286 HA ALA 36 HA ALA 36 8.137 0.913 1.233 287 1HB ALA 36 1HB ALA 36 8.391 3.880 0.848 288 2HB ALA 36 2HB ALA 36 8.583 2.950 2.343 289 3HB ALA 36 3HB ALA 36 6.995 3.096 1.589 290 H ARG 37 H ARG 37 8.304 3.204 -1.556 291 HA ARG 37 HA ARG 37 5.579 2.721 -2.177 292 1HB ARG 37 2HB ARG 37 7.797 4.069 -3.662 293 2HB ARG 37 1HB ARG 37 6.290 3.712 -4.489 294 1HG ARG 37 2HG ARG 37 5.873 5.837 -3.737 295 2HG ARG 37 1HG ARG 37 5.217 4.887 -2.402 296 1HD ARG 37 2HD ARG 37 7.586 5.084 -1.415 297 2HD ARG 37 1HD ARG 37 7.790 6.399 -2.565 298 HE ARG 37 HE ARG 37 5.800 6.359 -0.392 299 1HH1 ARG 37 1HH1 ARG 37 7.774 8.107 -2.692 300 2HH1 ARG 37 2HH1 ARG 37 7.627 9.632 -1.859 301 1HH2 ARG 37 1HH2 ARG 37 5.625 8.355 0.732 302 2HH2 ARG 37 2HH2 ARG 37 6.397 9.775 0.088 303 H SER 38 H SER 38 8.452 0.952 -2.916 304 HA SER 38 HA SER 38 7.439 -0.462 -5.158 305 1HB SER 38 2HB SER 38 9.529 -1.308 -3.132 306 2HB SER 38 1HB SER 38 9.256 -2.063 -4.702 307 HG SER 38 HG SER 38 10.435 0.402 -4.073 308 H TYR 39 H TYR 39 7.349 -0.973 -1.658 309 HA TYR 39 HA TYR 39 5.757 -3.381 -2.006 310 1HB TYR 39 2HB TYR 39 7.107 -2.066 0.292 311 2HB TYR 39 1HB TYR 39 5.748 -3.131 0.630 312 HD1 TYR 39 HD2 TYR 39 9.050 -3.030 -1.104 313 HD2 TYR 39 HD1 TYR 39 6.045 -5.439 0.713 314 HE1 TYR 39 HE2 TYR 39 10.522 -4.995 -1.275 315 HE2 TYR 39 HE1 TYR 39 7.510 -7.402 0.547 316 HH TYR 39 HH TYR 39 9.394 -8.182 -0.743 317 H TRP 40 H TRP 40 5.407 -0.244 -0.482 318 HA TRP 40 HA TRP 40 2.836 -0.571 0.564 319 1HB TRP 40 2HB TRP 40 4.587 1.112 1.202 320 2HB TRP 40 1HB TRP 40 4.195 1.998 -0.257 321 HD1 TRP 40 HD1 TRP 40 2.954 1.314 3.259 322 HE1 TRP 40 HE1 TRP 40 1.068 2.977 3.815 323 HE3 TRP 40 HE3 TRP 40 2.259 3.326 -1.382 324 HZ2 TRP 40 HZ2 TRP 40 -0.496 4.879 2.469 325 HZ3 TRP 40 HZ3 TRP 40 0.545 5.064 -1.667 326 HH2 TRP 40 HH2 TRP 40 -0.808 5.824 0.220 327 H LEU 41 H LEU 41 3.909 1.035 -2.461 328 HA LEU 41 HA LEU 41 1.227 1.724 -3.186 329 1HB LEU 41 2HB LEU 41 3.893 1.959 -4.476 330 2HB LEU 41 1HB LEU 41 2.489 1.974 -5.529 331 HG LEU 41 HG LEU 41 3.018 3.884 -3.254 332 1HD1 LEU 41 1HD1 LEU 41 4.438 4.300 -5.176 333 2HD1 LEU 41 2HD1 LEU 41 3.198 5.548 -5.050 334 3HD1 LEU 41 3HD1 LEU 41 3.035 4.261 -6.243 335 1HD2 LEU 41 1HD2 LEU 41 0.642 3.411 -3.498 336 2HD2 LEU 41 2HD2 LEU 41 0.742 3.759 -5.224 337 3HD2 LEU 41 3HD2 LEU 41 1.018 5.043 -4.047 338 H GLY 42 H GLY 42 3.240 -1.033 -3.649 339 1HA GLY 42 2HA GLY 42 1.883 -2.212 -5.826 340 2HA GLY 42 1HA GLY 42 2.836 -3.069 -4.620 341 H GLY 43 H GLY 43 1.457 -2.526 -2.312 342 1HA GLY 43 2HA GLY 43 -0.804 -4.274 -2.551 343 2HA GLY 43 1HA GLY 43 -0.266 -3.458 -1.087 344 H TRP 44 H TRP 44 -0.328 -0.840 -2.437 345 HA TRP 44 HA TRP 44 -2.938 -0.024 -1.775 346 1HB TRP 44 2HB TRP 44 -0.851 1.404 -1.822 347 2HB TRP 44 1HB TRP 44 -0.988 1.430 -3.575 348 HD1 TRP 44 HD1 TRP 44 -2.787 2.706 -0.428 349 HE1 TRP 44 HE1 TRP 44 -4.228 4.735 -1.083 350 HE3 TRP 44 HE3 TRP 44 -2.157 2.532 -5.496 351 HZ2 TRP 44 HZ2 TRP 44 -4.992 6.079 -3.444 352 HZ3 TRP 44 HZ3 TRP 44 -3.279 4.225 -6.881 353 HH2 TRP 44 HH2 TRP 44 -4.668 5.963 -5.875 354 H ARG 45 H ARG 45 -1.354 -0.350 -4.963 355 HA ARG 45 HA ARG 45 -3.721 0.118 -6.456 356 1HB ARG 45 2HB ARG 45 -1.212 -1.366 -7.252 357 2HB ARG 45 1HB ARG 45 -2.484 -0.872 -8.359 358 1HG ARG 45 2HG ARG 45 -2.038 1.496 -7.621 359 2HG ARG 45 1HG ARG 45 -0.596 0.874 -6.813 360 1HD ARG 45 2HD ARG 45 0.159 -0.064 -8.969 361 2HD ARG 45 1HD ARG 45 -1.242 0.668 -9.749 362 HE ARG 45 HE ARG 45 0.914 2.202 -8.438 363 1HH1 ARG 45 1HH1 ARG 45 -1.529 1.837 -10.928 364 2HH1 ARG 45 2HH1 ARG 45 -1.095 3.314 -11.743 365 1HH2 ARG 45 1HH2 ARG 45 1.489 4.123 -9.504 366 2HH2 ARG 45 2HH2 ARG 45 0.645 4.602 -10.949 367 H ASP 46 H ASP 46 -2.209 -2.758 -5.160 368 HA ASP 46 HA ASP 46 -3.705 -4.736 -6.418 369 1HB ASP 46 2HB ASP 46 -1.730 -5.138 -4.959 370 2HB ASP 46 1HB ASP 46 -2.712 -4.737 -3.556 371 H ALA 47 H ALA 47 -4.350 -3.063 -3.349 372 HA ALA 47 HA ALA 47 -6.792 -4.263 -2.750 373 1HB ALA 47 1HB ALA 47 -7.203 -2.370 -1.301 374 2HB ALA 47 2HB ALA 47 -5.972 -1.425 -2.143 375 3HB ALA 47 3HB ALA 47 -5.507 -2.842 -1.200 376 H ARG 48 H ARG 48 -6.048 -1.509 -4.810 377 HA ARG 48 HA ARG 48 -8.615 -0.461 -5.120 378 1HB ARG 48 2HB ARG 48 -6.272 -0.462 -7.030 379 2HB ARG 48 1HB ARG 48 -7.731 0.486 -7.274 380 1HG ARG 48 2HG ARG 48 -5.872 0.729 -4.921 381 2HG ARG 48 1HG ARG 48 -5.912 1.809 -6.317 382 1HD ARG 48 2HD ARG 48 -8.171 2.473 -5.781 383 2HD ARG 48 1HD ARG 48 -8.232 1.312 -4.457 384 HE ARG 48 HE ARG 48 -6.075 3.091 -4.083 385 1HH1 ARG 48 1HH1 ARG 48 -9.566 3.022 -4.012 386 2HH1 ARG 48 2HH1 ARG 48 -9.704 4.213 -2.754 387 1HH2 ARG 48 1HH2 ARG 48 -6.238 4.703 -2.451 388 2HH2 ARG 48 2HH2 ARG 48 -7.805 5.182 -1.875 389 H ASP 49 H ASP 49 -6.903 -2.779 -7.255 390 HA ASP 49 HA ASP 49 -9.396 -3.017 -8.741 391 1HB ASP 49 2HB ASP 49 -8.177 -3.827 -10.560 392 2HB ASP 49 1HB ASP 49 -7.156 -2.581 -9.858 393 H GLU 50 H GLU 50 -8.146 -4.460 -6.156 394 HA GLU 50 HA GLU 50 -8.849 -7.210 -6.771 395 1HB GLU 50 2HB GLU 50 -7.012 -6.682 -5.168 396 2HB GLU 50 1HB GLU 50 -8.187 -5.923 -4.105 397 1HG GLU 50 2HG GLU 50 -7.669 -8.117 -3.292 398 2HG GLU 50 1HG GLU 50 -9.334 -8.091 -3.870 399 H LYS 51 H LYS 51 -10.123 -4.368 -5.218 400 HA LYS 51 HA LYS 51 -12.579 -5.745 -4.469 401 1HB LYS 51 2HB LYS 51 -11.769 -2.837 -4.243 402 2HB LYS 51 1HB LYS 51 -13.287 -3.502 -3.660 403 1HG LYS 51 2HG LYS 51 -11.981 -4.991 -2.148 404 2HG LYS 51 1HG LYS 51 -10.522 -4.135 -2.652 405 1HD LYS 51 2HD LYS 51 -11.382 -3.244 -0.548 406 2HD LYS 51 1HD LYS 51 -11.466 -2.033 -1.830 407 1HE LYS 51 2HE LYS 51 -13.845 -2.625 -2.173 408 2HE LYS 51 1HE LYS 51 -13.733 -3.741 -0.814 409 1HZ LYS 51 1HZ LYS 51 -13.197 -1.888 0.625 410 2HZ LYS 51 2HZ LYS 51 -14.679 -1.623 -0.152 411 3HZ LYS 51 3HZ LYS 51 -13.290 -0.808 -0.682 412 H GLN 52 H GLN 52 -11.133 -3.896 -6.933 413 HA GLN 52 HA GLN 52 -13.537 -3.086 -8.261 414 1HB GLN 52 2HB GLN 52 -11.087 -2.202 -8.419 415 2HB GLN 52 1HB GLN 52 -10.908 -3.464 -9.629 416 1HG GLN 52 2HG GLN 52 -12.549 -2.488 -11.033 417 2HG GLN 52 1HG GLN 52 -13.051 -1.363 -9.769 418 1HE2 GLN 52 1HE2 GLN 52 -10.299 -0.844 -8.942 419 2HE2 GLN 52 2HE2 GLN 52 -9.629 0.196 -10.151 420 H SER 53 H SER 53 -11.660 -5.983 -8.083 421 HA SER 53 HA SER 53 -12.612 -7.368 -10.320 422 1HB SER 53 2HB SER 53 -12.045 -8.437 -7.540 423 2HB SER 53 1HB SER 53 -12.205 -9.415 -8.997 424 HG SER 53 HG SER 53 -10.402 -7.386 -9.291 425 H GLY 54 H GLY 54 -14.206 -6.324 -7.436 426 1HA GLY 54 2HA GLY 54 -16.412 -8.130 -7.534 427 2HA GLY 54 1HA GLY 54 -16.343 -6.617 -6.645 428 H LEU 55 H LEU 55 -15.543 -5.485 -9.455 429 HA LEU 55 HA LEU 55 -18.294 -4.909 -10.206 430 1HB LEU 55 2HB LEU 55 -16.634 -3.071 -9.941 431 2HB LEU 55 1HB LEU 55 -15.727 -3.742 -11.282 432 HG LEU 55 HG LEU 55 -17.672 -3.356 -12.763 433 1HD1 LEU 55 1HD1 LEU 55 -19.520 -1.981 -11.999 434 2HD1 LEU 55 2HD1 LEU 55 -18.830 -1.918 -10.378 435 3HD1 LEU 55 3HD1 LEU 55 -19.406 -3.452 -11.029 436 1HD2 LEU 55 1HD2 LEU 55 -17.410 -0.938 -12.907 437 2HD2 LEU 55 2HD2 LEU 55 -15.859 -1.724 -12.614 438 3HD2 LEU 55 3HD2 LEU 55 -16.696 -0.910 -11.293 439 H TYR 56 H TYR 56 -15.396 -5.334 -12.198 440 HA TYR 56 HA TYR 56 -16.348 -7.626 -13.592 441 1HB TYR 56 2HB TYR 56 -17.830 -5.631 -14.370 442 2HB TYR 56 1HB TYR 56 -16.403 -5.114 -15.256 443 HD1 TYR 56 HD1 TYR 56 -18.405 -8.235 -14.751 444 HD2 TYR 56 HD2 TYR 56 -16.279 -5.752 -17.473 445 HE1 TYR 56 HE1 TYR 56 -19.062 -9.712 -16.603 446 HE2 TYR 56 HE2 TYR 56 -16.925 -7.227 -19.333 447 HH TYR 56 HH TYR 56 -19.331 -9.654 -19.004 448 H LYS 57 H LYS 57 -13.956 -6.462 -12.326 449 HA LYS 57 HA LYS 57 -12.076 -6.681 -14.566 450 1HB LYS 57 2HB LYS 57 -12.009 -4.619 -12.356 451 2HB LYS 57 1HB LYS 57 -10.638 -4.967 -13.396 452 1HG LYS 57 2HG LYS 57 -12.008 -4.310 -15.352 453 2HG LYS 57 1HG LYS 57 -13.308 -3.861 -14.243 454 1HD LYS 57 2HD LYS 57 -11.910 -2.193 -13.210 455 2HD LYS 57 1HD LYS 57 -10.521 -2.715 -14.162 456 1HE LYS 57 2HE LYS 57 -11.432 -0.694 -15.110 457 2HE LYS 57 1HE LYS 57 -11.710 -2.042 -16.212 458 1HZ LYS 57 1HZ LYS 57 -13.990 -2.175 -15.416 459 2HZ LYS 57 2HZ LYS 57 -13.657 -0.630 -16.032 460 3HZ LYS 57 3HZ LYS 57 -13.717 -0.882 -14.360 461 H LEU 58 H LEU 58 -12.482 -8.881 -13.386 462 HA LEU 58 HA LEU 58 -10.972 -9.259 -10.977 463 1HB LEU 58 2HB LEU 58 -12.162 -11.282 -12.878 464 2HB LEU 58 1HB LEU 58 -11.457 -11.654 -11.323 465 HG LEU 58 HG LEU 58 -13.279 -9.994 -10.424 466 1HD1 LEU 58 1HD1 LEU 58 -15.347 -10.090 -11.726 467 2HD1 LEU 58 2HD1 LEU 58 -14.488 -10.903 -13.032 468 3HD1 LEU 58 3HD1 LEU 58 -14.068 -9.247 -12.597 469 1HD2 LEU 58 1HD2 LEU 58 -13.126 -12.355 -9.851 470 2HD2 LEU 58 2HD2 LEU 58 -13.933 -12.785 -11.358 471 3HD2 LEU 58 3HD2 LEU 58 -14.802 -11.876 -10.122 472 H GLU 59 H GLU 59 -10.608 -11.418 -13.706 473 HA GLU 59 HA GLU 59 -8.783 -12.405 -14.611 474 1HB GLU 59 2HB GLU 59 -7.825 -9.538 -14.691 475 2HB GLU 59 1HB GLU 59 -7.142 -10.866 -15.623 476 1HG GLU 59 2HG GLU 59 -9.439 -11.165 -16.629 477 2HG GLU 59 1HG GLU 59 -9.860 -9.624 -15.883 478 H HIS 60 H HIS 60 -6.145 -10.618 -14.088 479 HA HIS 60 HA HIS 60 -5.530 -11.606 -11.410 480 1HB HIS 60 2HB HIS 60 -3.822 -12.165 -13.853 481 2HB HIS 60 1HB HIS 60 -3.336 -12.480 -12.193 482 HD1 HIS 60 HD1 HIS 60 -5.304 -13.881 -15.004 483 HD2 HIS 60 HD2 HIS 60 -4.689 -14.665 -10.962 484 HE1 HIS 60 HE1 HIS 60 -6.206 -16.195 -14.613 485 HE2 HIS 60 HE2 HIS 60 -5.973 -16.579 -12.135 Start of MODEL 15 1 1H MET 1 1H MET 1 18.219 -0.642 17.064 2 2H MET 1 2H MET 1 18.211 -1.765 15.793 3 3H MET 1 3H MET 1 19.076 -2.101 17.209 4 HA MET 1 HA MET 1 17.002 -3.345 17.088 5 1HB MET 1 2HB MET 1 18.011 -2.575 19.272 6 2HB MET 1 1HB MET 1 16.888 -1.221 19.237 7 1HG MET 1 2HG MET 1 16.077 -3.008 20.667 8 2HG MET 1 1HG MET 1 15.006 -2.756 19.288 9 1HE MET 1 1HE MET 1 15.027 -5.360 21.196 10 2HE MET 1 2HE MET 1 14.816 -6.636 19.997 11 3HE MET 1 3HE MET 1 13.885 -5.142 19.869 12 H LYS 2 H LYS 2 14.929 -3.403 16.437 13 HA LYS 2 HA LYS 2 12.931 -2.753 15.560 14 1HB LYS 2 2HB LYS 2 13.371 -0.291 17.265 15 2HB LYS 2 1HB LYS 2 11.855 -0.723 16.486 16 1HG LYS 2 2HG LYS 2 11.790 -2.791 17.819 17 2HG LYS 2 1HG LYS 2 13.268 -2.286 18.638 18 1HD LYS 2 2HD LYS 2 10.665 -0.753 18.633 19 2HD LYS 2 1HD LYS 2 11.236 -1.784 19.946 20 1HE LYS 2 2HE LYS 2 13.209 -0.349 20.203 21 2HE LYS 2 1HE LYS 2 12.617 0.687 18.905 22 1HZ LYS 2 1HZ LYS 2 11.324 0.221 21.534 23 2HZ LYS 2 2HZ LYS 2 10.616 1.098 20.266 24 3HZ LYS 2 3HZ LYS 2 12.042 1.661 20.993 25 H ARG 3 H ARG 3 15.142 -2.341 13.986 26 HA ARG 3 HA ARG 3 14.333 -0.017 12.397 27 1HB ARG 3 2HB ARG 3 17.116 -0.642 13.375 28 2HB ARG 3 1HB ARG 3 16.834 0.355 11.955 29 1HG ARG 3 2HG ARG 3 15.358 1.107 14.399 30 2HG ARG 3 1HG ARG 3 17.105 1.347 14.427 31 1HD ARG 3 2HD ARG 3 15.663 3.296 13.618 32 2HD ARG 3 1HD ARG 3 17.046 2.841 12.627 33 HE ARG 3 HE ARG 3 15.381 1.603 11.224 34 1HH1 ARG 3 1HH1 ARG 3 14.374 4.315 13.186 35 2HH1 ARG 3 2HH1 ARG 3 13.117 4.799 12.086 36 1HH2 ARG 3 1HH2 ARG 3 13.745 2.222 9.787 37 2HH2 ARG 3 2HH2 ARG 3 12.738 3.596 10.164 38 H GLN 4 H GLN 4 13.999 -2.960 12.257 39 HA GLN 4 HA GLN 4 15.725 -4.052 10.302 40 1HB GLN 4 2HB GLN 4 12.894 -4.816 11.044 41 2HB GLN 4 1HB GLN 4 13.937 -5.761 9.995 42 1HG GLN 4 2HG GLN 4 14.082 -6.819 12.057 43 2HG GLN 4 1HG GLN 4 15.554 -5.857 11.959 44 1HE2 GLN 4 1HE2 GLN 4 12.436 -6.181 13.468 45 2HE2 GLN 4 2HE2 GLN 4 12.736 -5.104 14.783 46 H LYS 5 H LYS 5 15.801 -3.773 8.165 47 HA LYS 5 HA LYS 5 14.174 -1.733 7.015 48 1HB LYS 5 2HB LYS 5 15.465 -2.176 4.938 49 2HB LYS 5 1HB LYS 5 16.470 -1.864 6.346 50 1HG LYS 5 2HG LYS 5 16.813 -4.294 6.594 51 2HG LYS 5 1HG LYS 5 15.891 -4.544 5.109 52 1HD LYS 5 2HD LYS 5 18.376 -2.844 5.292 53 2HD LYS 5 1HD LYS 5 18.374 -4.539 4.799 54 1HE LYS 5 2HE LYS 5 16.783 -2.378 3.423 55 2HE LYS 5 1HE LYS 5 18.391 -2.893 2.915 56 1HZ LYS 5 1HZ LYS 5 16.565 -3.974 1.677 57 2HZ LYS 5 2HZ LYS 5 16.045 -4.703 3.114 58 3HZ LYS 5 3HZ LYS 5 17.569 -5.083 2.478 59 H ARG 6 H ARG 6 14.031 -5.243 6.942 60 HA ARG 6 HA ARG 6 12.098 -5.170 4.778 61 1HB ARG 6 2HB ARG 6 13.678 -7.121 5.184 62 2HB ARG 6 1HB ARG 6 12.658 -7.538 6.560 63 1HG ARG 6 2HG ARG 6 10.726 -7.735 5.060 64 2HG ARG 6 1HG ARG 6 11.761 -7.347 3.688 65 1HD ARG 6 2HD ARG 6 11.566 -9.684 3.673 66 2HD ARG 6 1HD ARG 6 13.154 -9.357 4.360 67 HE ARG 6 HE ARG 6 12.198 -9.832 6.558 68 1HH1 ARG 6 1HH1 ARG 6 10.350 -10.832 3.760 69 2HH1 ARG 6 2HH1 ARG 6 9.539 -12.123 4.590 70 1HH2 ARG 6 1HH2 ARG 6 11.142 -11.534 7.656 71 2HH2 ARG 6 2HH2 ARG 6 9.987 -12.523 6.814 72 H ASP 7 H ASP 7 12.129 -5.321 8.252 73 HA ASP 7 HA ASP 7 9.482 -6.065 8.775 74 1HB ASP 7 2HB ASP 7 11.351 -5.752 10.464 75 2HB ASP 7 1HB ASP 7 11.056 -4.031 10.351 76 H ARG 8 H ARG 8 10.926 -2.869 8.457 77 HA ARG 8 HA ARG 8 8.565 -1.411 8.880 78 1HB ARG 8 2HB ARG 8 9.827 0.504 8.144 79 2HB ARG 8 1HB ARG 8 10.858 -0.539 9.122 80 1HG ARG 8 2HG ARG 8 11.952 -1.394 7.158 81 2HG ARG 8 1HG ARG 8 10.859 -0.493 6.109 82 1HD ARG 8 2HD ARG 8 12.563 0.910 8.136 83 2HD ARG 8 1HD ARG 8 13.210 0.463 6.561 84 HE ARG 8 HE ARG 8 11.795 2.026 5.546 85 1HH1 ARG 8 1HH1 ARG 8 11.267 1.909 9.007 86 2HH1 ARG 8 2HH1 ARG 8 10.545 3.483 9.085 87 1HH2 ARG 8 1HH2 ARG 8 10.811 4.100 5.651 88 2HH2 ARG 8 2HH2 ARG 8 10.260 4.718 7.178 89 H LEU 9 H LEU 9 9.834 -2.940 6.036 90 HA LEU 9 HA LEU 9 8.060 -1.425 4.295 91 1HB LEU 9 2HB LEU 9 10.297 -3.354 3.839 92 2HB LEU 9 1HB LEU 9 9.183 -2.963 2.540 93 HG LEU 9 HG LEU 9 10.733 -0.871 4.062 94 1HD1 LEU 9 1HD1 LEU 9 11.386 -2.137 1.407 95 2HD1 LEU 9 2HD1 LEU 9 12.260 -2.415 2.912 96 3HD1 LEU 9 3HD1 LEU 9 12.258 -0.811 2.180 97 1HD2 LEU 9 1HD2 LEU 9 10.145 0.535 2.160 98 2HD2 LEU 9 2HD2 LEU 9 8.705 -0.094 2.963 99 3HD2 LEU 9 3HD2 LEU 9 9.247 -0.805 1.444 100 H GLU 10 H GLU 10 8.431 -4.708 5.550 101 HA GLU 10 HA GLU 10 6.215 -5.784 4.118 102 1HB GLU 10 2HB GLU 10 7.974 -7.149 5.261 103 2HB GLU 10 1HB GLU 10 7.312 -6.648 6.808 104 1HG GLU 10 2HG GLU 10 5.246 -7.774 6.349 105 2HG GLU 10 1HG GLU 10 5.770 -8.152 4.709 106 H ARG 11 H ARG 11 6.641 -3.852 6.918 107 HA ARG 11 HA ARG 11 3.981 -4.009 7.946 108 1HB ARG 11 2HB ARG 11 6.011 -3.241 9.238 109 2HB ARG 11 1HB ARG 11 5.998 -1.774 8.272 110 1HG ARG 11 2HG ARG 11 3.691 -1.334 9.129 111 2HG ARG 11 1HG ARG 11 3.910 -2.700 10.224 112 1HD ARG 11 2HD ARG 11 5.502 -0.147 10.120 113 2HD ARG 11 1HD ARG 11 4.459 -0.712 11.424 114 HE ARG 11 HE ARG 11 6.509 -2.598 10.961 115 1HH1 ARG 11 1HH1 ARG 11 6.041 0.613 12.265 116 2HH1 ARG 11 2HH1 ARG 11 7.360 0.491 13.393 117 1HH2 ARG 11 1HH2 ARG 11 8.289 -2.750 12.392 118 2HH2 ARG 11 2HH2 ARG 11 8.642 -1.416 13.454 119 H ALA 12 H ALA 12 5.793 -1.814 5.860 120 HA ALA 12 HA ALA 12 3.737 -0.032 5.222 121 1HB ALA 12 1HB ALA 12 6.104 0.369 4.707 122 2HB ALA 12 2HB ALA 12 5.079 0.567 3.285 123 3HB ALA 12 3HB ALA 12 6.044 -0.899 3.482 124 H GLN 13 H GLN 13 4.523 -3.219 4.020 125 HA GLN 13 HA GLN 13 2.841 -3.194 1.746 126 1HB GLN 13 2HB GLN 13 4.537 -4.912 2.015 127 2HB GLN 13 1HB GLN 13 3.764 -5.491 3.484 128 1HG GLN 13 2HG GLN 13 1.819 -6.191 2.190 129 2HG GLN 13 1HG GLN 13 2.585 -5.597 0.716 130 1HE2 GLN 13 1HE2 GLN 13 2.671 -8.021 3.218 131 2HE2 GLN 13 2HE2 GLN 13 3.686 -9.141 2.368 132 H SER 14 H SER 14 2.316 -4.381 5.053 133 HA SER 14 HA SER 14 -0.404 -5.058 4.675 134 1HB SER 14 2HB SER 14 1.209 -5.818 6.537 135 2HB SER 14 1HB SER 14 0.822 -4.289 7.322 136 HG SER 14 HG SER 14 -0.939 -6.407 6.647 137 H GLN 15 H GLN 15 1.237 -2.163 5.841 138 HA GLN 15 HA GLN 15 -1.037 -0.682 6.606 139 1HB GLN 15 2HB GLN 15 1.538 -0.278 6.967 140 2HB GLN 15 1HB GLN 15 1.418 0.614 5.462 141 1HG GLN 15 2HG GLN 15 -0.200 1.194 7.936 142 2HG GLN 15 1HG GLN 15 1.287 2.023 7.490 143 1HE2 GLN 15 1HE2 GLN 15 -2.092 1.733 6.948 144 2HE2 GLN 15 2HE2 GLN 15 -2.247 3.045 5.839 145 H GLY 16 H GLY 16 0.796 -0.853 3.566 146 1HA GLY 16 2HA GLY 16 -0.648 1.059 2.117 147 2HA GLY 16 1HA GLY 16 0.254 -0.276 1.415 148 H TYR 17 H TYR 17 -1.236 -2.407 2.540 149 HA TYR 17 HA TYR 17 -3.367 -2.598 0.712 150 1HB TYR 17 2HB TYR 17 -2.126 -4.518 1.847 151 2HB TYR 17 1HB TYR 17 -3.122 -4.204 3.263 152 HD1 TYR 17 HD1 TYR 17 -3.145 -5.357 -0.230 153 HD2 TYR 17 HD2 TYR 17 -5.444 -4.858 3.317 154 HE1 TYR 17 HE1 TYR 17 -4.921 -6.760 -1.190 155 HE2 TYR 17 HE2 TYR 17 -7.229 -6.255 2.362 156 HH TYR 17 HH TYR 17 -6.778 -8.114 -0.480 157 H LYS 18 H LYS 18 -3.256 -1.800 4.156 158 HA LYS 18 HA LYS 18 -6.057 -1.439 4.482 159 1HB LYS 18 2HB LYS 18 -4.513 -1.804 6.370 160 2HB LYS 18 1HB LYS 18 -3.755 -0.255 6.052 161 1HG LYS 18 2HG LYS 18 -5.891 0.866 6.561 162 2HG LYS 18 1HG LYS 18 -6.596 -0.707 6.945 163 1HD LYS 18 2HD LYS 18 -4.836 -1.016 8.671 164 2HD LYS 18 1HD LYS 18 -4.269 0.618 8.337 165 1HE LYS 18 2HE LYS 18 -7.043 -0.087 9.284 166 2HE LYS 18 1HE LYS 18 -5.737 0.471 10.324 167 1HZ LYS 18 1HZ LYS 18 -7.026 2.349 9.852 168 2HZ LYS 18 2HZ LYS 18 -7.154 1.973 8.210 169 3HZ LYS 18 3HZ LYS 18 -5.674 2.501 8.838 170 H ALA 19 H ALA 19 -3.486 0.504 3.254 171 HA ALA 19 HA ALA 19 -4.809 3.033 3.542 172 1HB ALA 19 1HB ALA 19 -2.396 2.261 1.909 173 2HB ALA 19 2HB ALA 19 -2.389 2.943 3.536 174 3HB ALA 19 3HB ALA 19 -2.963 3.907 2.175 175 H GLY 20 H GLY 20 -4.706 0.523 1.160 176 1HA GLY 20 2HA GLY 20 -5.794 2.010 -0.999 177 2HA GLY 20 1HA GLY 20 -5.868 0.272 -0.792 178 H LEU 21 H LEU 21 -7.128 0.628 1.866 179 HA LEU 21 HA LEU 21 -9.871 0.999 0.910 180 1HB LEU 21 2HB LEU 21 -9.515 0.172 3.695 181 2HB LEU 21 1HB LEU 21 -10.508 -0.533 2.440 182 HG LEU 21 HG LEU 21 -7.547 -1.029 2.761 183 1HD1 LEU 21 1HD1 LEU 21 -9.904 -2.747 3.528 184 2HD1 LEU 21 2HD1 LEU 21 -8.780 -1.956 4.636 185 3HD1 LEU 21 3HD1 LEU 21 -8.211 -3.243 3.574 186 1HD2 LEU 21 1HD2 LEU 21 -7.957 -2.883 1.196 187 2HD2 LEU 21 2HD2 LEU 21 -8.259 -1.305 0.473 188 3HD2 LEU 21 3HD2 LEU 21 -9.613 -2.316 0.983 189 H ASN 22 H ASN 22 -7.801 1.863 3.642 190 HA ASN 22 HA ASN 22 -9.726 3.852 4.557 191 1HB ASN 22 2HB ASN 22 -7.310 2.526 5.727 192 2HB ASN 22 1HB ASN 22 -7.917 4.020 6.418 193 1HD2 ASN 22 1HD2 ASN 22 -10.130 1.751 5.005 194 2HD2 ASN 22 2HD2 ASN 22 -10.800 1.184 6.497 195 H GLY 23 H GLY 23 -6.543 3.666 3.093 196 1HA GLY 23 2HA GLY 23 -5.723 6.267 4.049 197 2HA GLY 23 1HA GLY 23 -4.855 5.255 2.903 198 H ARG 24 H ARG 24 -7.476 5.071 1.411 199 HA ARG 24 HA ARG 24 -8.553 6.032 -0.332 200 1HB ARG 24 2HB ARG 24 -9.127 7.788 1.281 201 2HB ARG 24 1HB ARG 24 -7.633 8.624 0.895 202 1HG ARG 24 2HG ARG 24 -8.471 8.763 -1.484 203 2HG ARG 24 1HG ARG 24 -10.030 8.212 -0.864 204 1HD ARG 24 2HD ARG 24 -10.153 10.568 -0.927 205 2HD ARG 24 1HD ARG 24 -9.914 10.139 0.766 206 HE ARG 24 HE ARG 24 -7.501 10.747 -0.728 207 1HH1 ARG 24 1HH1 ARG 24 -9.990 11.918 1.441 208 2HH1 ARG 24 2HH1 ARG 24 -9.111 13.344 1.902 209 1HH2 ARG 24 1HH2 ARG 24 -6.333 12.628 -0.131 210 2HH2 ARG 24 2HH2 ARG 24 -7.034 13.744 1.002 211 H SER 25 H SER 25 -5.586 7.901 0.232 212 HA SER 25 HA SER 25 -5.053 7.809 -2.664 213 1HB SER 25 2HB SER 25 -4.294 9.940 -0.663 214 2HB SER 25 1HB SER 25 -3.972 9.996 -2.390 215 HG SER 25 HG SER 25 -5.953 10.644 -2.722 216 H GLN 26 H GLN 26 -2.660 8.310 -3.114 217 HA GLN 26 HA GLN 26 -1.035 6.395 -1.630 218 1HB GLN 26 2HB GLN 26 -0.162 8.072 -3.980 219 2HB GLN 26 1HB GLN 26 0.496 6.534 -3.436 220 1HG GLN 26 2HG GLN 26 -1.501 5.381 -4.134 221 2HG GLN 26 1HG GLN 26 -2.261 6.909 -4.581 222 1HE2 GLN 26 1HE2 GLN 26 -1.684 4.541 -6.183 223 2HE2 GLN 26 2HE2 GLN 26 -0.706 5.072 -7.511 224 H GLU 27 H GLU 27 -1.767 9.618 -1.586 225 HA GLU 27 HA GLU 27 0.690 10.874 -1.006 226 1HB GLU 27 2HB GLU 27 -1.548 11.882 -1.716 227 2HB GLU 27 1HB GLU 27 -2.035 11.721 -0.035 228 1HG GLU 27 2HG GLU 27 -0.276 13.219 0.653 229 2HG GLU 27 1HG GLU 27 0.320 13.320 -1.005 230 H ALA 28 H ALA 28 -1.042 8.637 0.736 231 HA ALA 28 HA ALA 28 -0.304 9.676 3.368 232 1HB ALA 28 1HB ALA 28 -2.628 8.962 3.023 233 2HB ALA 28 2HB ALA 28 -1.812 7.991 4.253 234 3HB ALA 28 3HB ALA 28 -2.061 7.337 2.634 235 H CYS 29 H CYS 29 1.674 8.538 1.484 236 HA CYS 29 HA CYS 29 2.456 6.100 2.919 237 1HB CYS 29 2HB CYS 29 2.434 5.888 0.496 238 2HB CYS 29 1HB CYS 29 3.493 7.286 0.338 239 HG CYS 29 HG CYS 29 5.649 5.911 0.298 240 HA PRO 30 HA PRO 30 5.450 8.991 4.777 241 1HB PRO 30 2HB PRO 30 5.026 8.398 7.316 242 2HB PRO 30 1HB PRO 30 3.801 9.287 6.401 243 1HG PRO 30 2HG PRO 30 3.854 6.411 7.200 244 2HG PRO 30 1HG PRO 30 2.481 7.528 7.112 245 1HD PRO 30 2HD PRO 30 3.252 5.654 5.146 246 2HD PRO 30 1HD PRO 30 2.066 6.956 4.957 247 H TYR 31 H TYR 31 5.869 6.057 3.830 248 HA TYR 31 HA TYR 31 7.693 5.140 5.923 249 1HB TYR 31 2HB TYR 31 6.336 3.759 3.637 250 2HB TYR 31 1HB TYR 31 7.767 3.046 4.375 251 HD1 TYR 31 HD1 TYR 31 7.727 2.301 6.700 252 HD2 TYR 31 HD2 TYR 31 4.224 3.816 4.821 253 HE1 TYR 31 HE1 TYR 31 6.360 1.362 8.510 254 HE2 TYR 31 HE2 TYR 31 2.845 2.878 6.634 255 HH TYR 31 HH TYR 31 4.182 1.732 9.549 256 H GLN 32 H GLN 32 7.860 4.968 2.355 257 HA GLN 32 HA GLN 32 10.600 5.940 2.452 258 1HB GLN 32 2HB GLN 32 10.399 3.365 2.909 259 2HB GLN 32 1HB GLN 32 10.093 3.265 1.184 260 1HG GLN 32 2HG GLN 32 12.246 3.535 0.671 261 2HG GLN 32 1HG GLN 32 12.457 4.832 1.854 262 1HE2 GLN 32 1HE2 GLN 32 14.162 2.515 1.235 263 2HE2 GLN 32 2HE2 GLN 32 14.368 1.681 2.734 264 H GLN 33 H GLN 33 11.451 5.506 -0.061 265 HA GLN 33 HA GLN 33 9.338 6.702 -1.685 266 1HB GLN 33 2HB GLN 33 12.329 6.647 -1.946 267 2HB GLN 33 1HB GLN 33 11.268 7.214 -3.219 268 1HG GLN 33 2HG GLN 33 10.467 9.003 -1.861 269 2HG GLN 33 1HG GLN 33 11.305 8.360 -0.448 270 1HE2 GLN 33 1HE2 GLN 33 11.491 10.967 -1.843 271 2HE2 GLN 33 2HE2 GLN 33 13.177 11.159 -2.221 272 H VAL 34 H VAL 34 12.148 4.759 -2.609 273 HA VAL 34 HA VAL 34 10.674 3.594 -4.780 274 HB VAL 34 HB VAL 34 13.475 3.183 -3.734 275 1HG1 VAL 34 1HG1 VAL 34 12.741 1.060 -4.627 276 2HG1 VAL 34 2HG1 VAL 34 13.907 1.806 -5.720 277 3HG1 VAL 34 3HG1 VAL 34 12.185 1.843 -6.106 278 1HG2 VAL 34 1HG2 VAL 34 14.107 4.239 -5.853 279 2HG2 VAL 34 2HG2 VAL 34 13.068 5.283 -4.884 280 3HG2 VAL 34 3HG2 VAL 34 12.402 4.417 -6.268 281 H ASP 35 H ASP 35 12.123 2.418 -1.792 282 HA ASP 35 HA ASP 35 11.413 -0.290 -2.121 283 1HB ASP 35 2HB ASP 35 11.903 1.282 0.417 284 2HB ASP 35 1HB ASP 35 11.826 -0.470 0.315 285 H ALA 36 H ALA 36 9.791 2.466 -0.727 286 HA ALA 36 HA ALA 36 7.655 1.018 0.458 287 1HB ALA 36 1HB ALA 36 8.203 3.166 1.314 288 2HB ALA 36 2HB ALA 36 6.576 3.248 0.631 289 3HB ALA 36 3HB ALA 36 7.947 3.925 -0.259 290 H ARG 37 H ARG 37 8.179 2.443 -2.729 291 HA ARG 37 HA ARG 37 5.531 2.235 -3.643 292 1HB ARG 37 2HB ARG 37 8.160 2.021 -5.107 293 2HB ARG 37 1HB ARG 37 6.609 1.943 -5.931 294 1HG ARG 37 2HG ARG 37 6.055 4.169 -5.119 295 2HG ARG 37 1HG ARG 37 7.598 4.251 -4.271 296 1HD ARG 37 2HD ARG 37 8.769 4.023 -6.424 297 2HD ARG 37 1HD ARG 37 7.211 4.003 -7.252 298 HE ARG 37 HE ARG 37 7.374 6.307 -5.649 299 1HH1 ARG 37 1HH1 ARG 37 8.676 4.960 -8.605 300 2HH1 ARG 37 2HH1 ARG 37 9.046 6.513 -9.301 301 1HH2 ARG 37 1HH2 ARG 37 7.848 8.338 -6.546 302 2HH2 ARG 37 2HH2 ARG 37 8.589 8.441 -8.114 303 H SER 38 H SER 38 8.203 -0.064 -3.635 304 HA SER 38 HA SER 38 6.963 -2.076 -5.142 305 1HB SER 38 2HB SER 38 9.421 -1.856 -4.703 306 2HB SER 38 1HB SER 38 9.132 -2.385 -3.048 307 HG SER 38 HG SER 38 8.543 -3.872 -5.400 308 H TYR 39 H TYR 39 7.102 -1.431 -1.679 309 HA TYR 39 HA TYR 39 5.558 -3.820 -1.138 310 1HB TYR 39 2HB TYR 39 6.914 -1.833 0.662 311 2HB TYR 39 1HB TYR 39 5.869 -3.105 1.279 312 HD1 TYR 39 HD1 TYR 39 9.103 -2.353 -0.267 313 HD2 TYR 39 HD2 TYR 39 6.586 -5.420 1.262 314 HE1 TYR 39 HE1 TYR 39 11.026 -3.879 -0.190 315 HE2 TYR 39 HE2 TYR 39 8.499 -6.966 1.336 316 HH TYR 39 HH TYR 39 10.768 -7.178 0.138 317 H TRP 40 H TRP 40 5.372 -0.455 -0.048 318 HA TRP 40 HA TRP 40 2.775 -0.666 0.999 319 1HB TRP 40 2HB TRP 40 4.490 1.035 1.649 320 2HB TRP 40 1HB TRP 40 4.226 1.843 0.114 321 HD1 TRP 40 HD1 TRP 40 2.787 1.474 3.586 322 HE1 TRP 40 HE1 TRP 40 0.837 3.126 3.888 323 HE3 TRP 40 HE3 TRP 40 2.277 3.024 -1.263 324 HZ2 TRP 40 HZ2 TRP 40 -0.709 4.848 2.282 325 HZ3 TRP 40 HZ3 TRP 40 0.534 4.679 -1.791 326 HH2 TRP 40 HH2 TRP 40 -0.927 5.569 -0.050 327 H LEU 41 H LEU 41 3.938 0.608 -2.142 328 HA LEU 41 HA LEU 41 1.284 1.519 -2.822 329 1HB LEU 41 2HB LEU 41 3.767 2.270 -3.613 330 2HB LEU 41 1HB LEU 41 3.301 1.255 -4.962 331 HG LEU 41 HG LEU 41 1.712 3.627 -3.973 332 1HD1 LEU 41 1HD1 LEU 41 2.543 4.777 -5.961 333 2HD1 LEU 41 2HD1 LEU 41 3.561 3.391 -6.344 334 3HD1 LEU 41 3HD1 LEU 41 3.862 4.327 -4.880 335 1HD2 LEU 41 1HD2 LEU 41 0.356 1.939 -5.107 336 2HD2 LEU 41 2HD2 LEU 41 1.455 1.977 -6.486 337 3HD2 LEU 41 3HD2 LEU 41 0.500 3.403 -6.078 338 H GLY 42 H GLY 42 3.283 -1.271 -3.362 339 1HA GLY 42 2HA GLY 42 1.766 -2.513 -5.390 340 2HA GLY 42 1HA GLY 42 2.798 -3.342 -4.229 341 H GLY 43 H GLY 43 1.610 -2.793 -1.848 342 1HA GLY 43 2HA GLY 43 -0.670 -4.479 -1.808 343 2HA GLY 43 1HA GLY 43 -0.095 -3.487 -0.475 344 H TRP 44 H TRP 44 -0.265 -0.976 -1.733 345 HA TRP 44 HA TRP 44 -2.912 -0.232 -1.269 346 1HB TRP 44 2HB TRP 44 -0.937 1.303 -1.268 347 2HB TRP 44 1HB TRP 44 -0.907 1.204 -3.024 348 HD1 TRP 44 HD1 TRP 44 -2.789 2.809 -0.144 349 HE1 TRP 44 HE1 TRP 44 -4.373 4.611 -1.067 350 HE3 TRP 44 HE3 TRP 44 -2.313 1.826 -5.136 351 HZ2 TRP 44 HZ2 TRP 44 -5.306 5.495 -3.576 352 HZ3 TRP 44 HZ3 TRP 44 -3.589 3.195 -6.733 353 HH2 TRP 44 HH2 TRP 44 -5.055 4.992 -5.967 354 H ARG 45 H ARG 45 -1.205 -0.627 -4.379 355 HA ARG 45 HA ARG 45 -3.443 -0.129 -6.002 356 1HB ARG 45 2HB ARG 45 -0.853 -1.558 -6.489 357 2HB ARG 45 1HB ARG 45 -2.108 -1.533 -7.719 358 1HG ARG 45 2HG ARG 45 -1.990 1.080 -7.177 359 2HG ARG 45 1HG ARG 45 -0.335 0.623 -6.767 360 1HD ARG 45 2HD ARG 45 -0.528 1.299 -9.112 361 2HD ARG 45 1HD ARG 45 -0.053 -0.395 -8.962 362 HE ARG 45 HE ARG 45 -2.865 -0.222 -9.160 363 1HH1 ARG 45 1HH1 ARG 45 0.028 0.064 -11.114 364 2HH1 ARG 45 2HH1 ARG 45 -0.797 -0.269 -12.607 365 1HH2 ARG 45 1HH2 ARG 45 -3.942 -0.695 -11.082 366 2HH2 ARG 45 2HH2 ARG 45 -3.075 -0.698 -12.595 367 H ASP 46 H ASP 46 -2.100 -3.162 -4.759 368 HA ASP 46 HA ASP 46 -3.711 -4.929 -6.181 369 1HB ASP 46 2HB ASP 46 -1.774 -5.575 -4.726 370 2HB ASP 46 1HB ASP 46 -2.800 -5.302 -3.322 371 H ALA 47 H ALA 47 -4.260 -3.561 -2.948 372 HA ALA 47 HA ALA 47 -6.798 -4.682 -2.539 373 1HB ALA 47 1HB ALA 47 -7.071 -3.005 -0.794 374 2HB ALA 47 2HB ALA 47 -5.698 -2.103 -1.435 375 3HB ALA 47 3HB ALA 47 -5.454 -3.709 -0.744 376 H ARG 48 H ARG 48 -5.817 -1.577 -3.939 377 HA ARG 48 HA ARG 48 -8.428 -0.535 -4.168 378 1HB ARG 48 2HB ARG 48 -5.919 0.496 -4.426 379 2HB ARG 48 1HB ARG 48 -6.420 0.411 -6.110 380 1HG ARG 48 2HG ARG 48 -7.850 1.841 -3.883 381 2HG ARG 48 1HG ARG 48 -6.943 2.582 -5.202 382 1HD ARG 48 2HD ARG 48 -8.515 1.709 -6.813 383 2HD ARG 48 1HD ARG 48 -9.390 0.856 -5.547 384 HE ARG 48 HE ARG 48 -9.282 3.628 -4.959 385 1HH1 ARG 48 1HH1 ARG 48 -10.843 1.345 -7.099 386 2HH1 ARG 48 2HH1 ARG 48 -12.298 2.279 -7.262 387 1HH2 ARG 48 1HH2 ARG 48 -11.184 4.861 -5.149 388 2HH2 ARG 48 2HH2 ARG 48 -12.504 4.279 -6.116 389 H ASP 49 H ASP 49 -6.244 -1.925 -6.649 390 HA ASP 49 HA ASP 49 -8.124 -1.745 -8.754 391 1HB ASP 49 2HB ASP 49 -5.611 -3.373 -8.415 392 2HB ASP 49 1HB ASP 49 -6.595 -3.479 -9.868 393 H GLU 50 H GLU 50 -7.910 -3.922 -6.163 394 HA GLU 50 HA GLU 50 -9.060 -6.220 -7.469 395 1HB GLU 50 2HB GLU 50 -7.670 -6.680 -5.582 396 2HB GLU 50 1HB GLU 50 -8.527 -5.515 -4.582 397 1HG GLU 50 2HG GLU 50 -10.570 -7.039 -4.941 398 2HG GLU 50 1HG GLU 50 -9.388 -8.241 -5.458 399 H LYS 51 H LYS 51 -10.077 -3.687 -5.260 400 HA LYS 51 HA LYS 51 -12.801 -4.706 -5.205 401 1HB LYS 51 2HB LYS 51 -11.532 -2.303 -3.863 402 2HB LYS 51 1HB LYS 51 -13.173 -2.875 -3.581 403 1HG LYS 51 2HG LYS 51 -12.354 -4.935 -2.662 404 2HG LYS 51 1HG LYS 51 -10.696 -4.505 -3.074 405 1HD LYS 51 2HD LYS 51 -10.719 -2.694 -1.491 406 2HD LYS 51 1HD LYS 51 -12.437 -2.948 -1.169 407 1HE LYS 51 2HE LYS 51 -11.018 -3.887 0.600 408 2HE LYS 51 1HE LYS 51 -11.964 -5.127 -0.220 409 1HZ LYS 51 1HZ LYS 51 -9.131 -4.524 -0.864 410 2HZ LYS 51 2HZ LYS 51 -10.044 -5.837 -1.422 411 3HZ LYS 51 3HZ LYS 51 -9.610 -5.735 0.216 412 H GLN 52 H GLN 52 -10.797 -2.620 -6.864 413 HA GLN 52 HA GLN 52 -12.762 -0.828 -7.926 414 1HB GLN 52 2HB GLN 52 -10.346 -0.363 -7.877 415 2HB GLN 52 1HB GLN 52 -10.074 -1.685 -8.999 416 1HG GLN 52 2HG GLN 52 -11.178 -0.532 -10.760 417 2HG GLN 52 1HG GLN 52 -11.792 0.697 -9.654 418 1HE2 GLN 52 1HE2 GLN 52 -9.003 -0.493 -11.358 419 2HE2 GLN 52 2HE2 GLN 52 -8.021 0.919 -11.133 420 H SER 53 H SER 53 -11.274 -3.848 -9.000 421 HA SER 53 HA SER 53 -12.867 -4.071 -11.359 422 1HB SER 53 2HB SER 53 -11.339 -6.212 -9.855 423 2HB SER 53 1HB SER 53 -11.951 -6.340 -11.505 424 HG SER 53 HG SER 53 -9.830 -4.778 -10.493 425 H GLY 54 H GLY 54 -13.278 -4.857 -8.018 426 1HA GLY 54 2HA GLY 54 -15.389 -6.731 -8.259 427 2HA GLY 54 1HA GLY 54 -15.044 -5.741 -6.846 428 H LEU 55 H LEU 55 -15.308 -3.207 -8.044 429 HA LEU 55 HA LEU 55 -18.177 -2.985 -8.218 430 1HB LEU 55 2HB LEU 55 -16.713 -1.325 -7.035 431 2HB LEU 55 1HB LEU 55 -16.087 -0.840 -8.600 432 HG LEU 55 HG LEU 55 -18.363 -0.152 -9.274 433 1HD1 LEU 55 1HD1 LEU 55 -20.118 0.003 -7.591 434 2HD1 LEU 55 2HD1 LEU 55 -19.064 -0.774 -6.407 435 3HD1 LEU 55 3HD1 LEU 55 -19.611 -1.669 -7.826 436 1HD2 LEU 55 1HD2 LEU 55 -16.810 1.487 -8.353 437 2HD2 LEU 55 2HD2 LEU 55 -17.361 1.106 -6.720 438 3HD2 LEU 55 3HD2 LEU 55 -18.468 1.850 -7.874 439 H TYR 56 H TYR 56 -15.395 -2.641 -10.315 440 HA TYR 56 HA TYR 56 -15.086 -2.798 -12.535 441 1HB TYR 56 2HB TYR 56 -16.671 -4.785 -11.980 442 2HB TYR 56 1HB TYR 56 -17.871 -3.831 -12.829 443 HD1 TYR 56 HD2 TYR 56 -14.408 -5.113 -13.254 444 HD2 TYR 56 HD1 TYR 56 -18.099 -4.154 -15.137 445 HE1 TYR 56 HE2 TYR 56 -13.555 -6.022 -15.368 446 HE2 TYR 56 HE1 TYR 56 -17.257 -5.066 -17.264 447 HH TYR 56 HH TYR 56 -15.095 -5.526 -18.357 448 H LYS 57 H LYS 57 -16.519 -0.436 -11.303 449 HA LYS 57 HA LYS 57 -17.264 0.806 -13.832 450 1HB LYS 57 2HB LYS 57 -19.337 -0.076 -12.617 451 2HB LYS 57 1HB LYS 57 -19.014 1.145 -11.396 452 1HG LYS 57 2HG LYS 57 -19.412 2.905 -12.908 453 2HG LYS 57 1HG LYS 57 -19.379 1.818 -14.299 454 1HD LYS 57 2HD LYS 57 -21.396 0.689 -13.424 455 2HD LYS 57 1HD LYS 57 -21.441 1.848 -12.094 456 1HE LYS 57 2HE LYS 57 -21.838 3.662 -13.598 457 2HE LYS 57 1HE LYS 57 -21.550 2.627 -14.998 458 1HZ LYS 57 1HZ LYS 57 -23.910 2.993 -14.634 459 2HZ LYS 57 2HZ LYS 57 -23.802 2.339 -13.076 460 3HZ LYS 57 3HZ LYS 57 -23.523 1.359 -14.430 461 H LEU 58 H LEU 58 -14.988 1.346 -13.064 462 HA LEU 58 HA LEU 58 -14.646 3.198 -10.931 463 1HB LEU 58 2HB LEU 58 -12.365 3.390 -11.811 464 2HB LEU 58 1HB LEU 58 -12.871 1.738 -11.597 465 HG LEU 58 HG LEU 58 -13.475 2.115 -14.213 466 1HD1 LEU 58 1HD1 LEU 58 -10.956 3.678 -13.673 467 2HD1 LEU 58 2HD1 LEU 58 -12.482 4.338 -14.260 468 3HD1 LEU 58 3HD1 LEU 58 -11.564 3.214 -15.261 469 1HD2 LEU 58 1HD2 LEU 58 -12.303 0.212 -13.261 470 2HD2 LEU 58 2HD2 LEU 58 -10.853 1.192 -13.052 471 3HD2 LEU 58 3HD2 LEU 58 -11.447 0.830 -14.673 472 H GLU 59 H GLU 59 -14.877 3.404 -14.372 473 HA GLU 59 HA GLU 59 -14.173 5.902 -15.064 474 1HB GLU 59 2HB GLU 59 -15.044 4.339 -16.688 475 2HB GLU 59 1HB GLU 59 -16.653 4.452 -15.986 476 1HG GLU 59 2HG GLU 59 -16.649 6.880 -16.573 477 2HG GLU 59 1HG GLU 59 -15.147 6.601 -17.450 478 H HIS 60 H HIS 60 -14.527 7.803 -14.213 479 HA HIS 60 HA HIS 60 -17.132 8.432 -13.040 480 1HB HIS 60 2HB HIS 60 -14.577 10.056 -13.079 481 2HB HIS 60 1HB HIS 60 -16.054 10.496 -12.238 482 HD1 HIS 60 HD1 HIS 60 -12.886 9.278 -11.493 483 HD2 HIS 60 HD2 HIS 60 -16.710 8.099 -10.359 484 HE1 HIS 60 HE1 HIS 60 -12.589 7.985 -9.359 485 HE2 HIS 60 HE2 HIS 60 -14.883 7.096 -8.819 Start of MODEL 16 1 1H MET 1 1H MET 1 18.113 -1.111 9.961 2 2H MET 1 2H MET 1 18.346 -0.255 8.519 3 3H MET 1 3H MET 1 19.255 0.138 9.890 4 HA MET 1 HA MET 1 20.579 -1.096 8.325 5 1HB MET 1 2HB MET 1 19.837 -2.463 10.905 6 2HB MET 1 1HB MET 1 21.140 -3.049 9.884 7 1HG MET 1 2HG MET 1 22.002 -1.686 11.683 8 2HG MET 1 1HG MET 1 22.298 -0.920 10.125 9 1HE MET 1 1HE MET 1 22.525 0.574 12.963 10 2HE MET 1 2HE MET 1 21.772 2.119 12.568 11 3HE MET 1 3HE MET 1 22.867 1.350 11.417 12 H LYS 2 H LYS 2 20.983 -3.719 8.100 13 HA LYS 2 HA LYS 2 18.907 -4.435 6.221 14 1HB LYS 2 2HB LYS 2 21.558 -5.707 6.900 15 2HB LYS 2 1HB LYS 2 20.466 -6.321 5.667 16 1HG LYS 2 2HG LYS 2 20.655 -4.213 4.452 17 2HG LYS 2 1HG LYS 2 21.765 -3.606 5.681 18 1HD LYS 2 2HD LYS 2 23.366 -5.342 5.137 19 2HD LYS 2 1HD LYS 2 22.236 -6.056 3.983 20 1HE LYS 2 2HE LYS 2 23.410 -3.286 3.797 21 2HE LYS 2 1HE LYS 2 23.969 -4.689 2.889 22 1HZ LYS 2 1HZ LYS 2 22.434 -3.219 1.643 23 2HZ LYS 2 2HZ LYS 2 21.203 -3.619 2.735 24 3HZ LYS 2 3HZ LYS 2 21.890 -4.817 1.757 25 H ARG 3 H ARG 3 18.658 -6.985 6.092 26 HA ARG 3 HA ARG 3 17.721 -8.887 6.895 27 1HB ARG 3 2HB ARG 3 18.432 -7.925 9.673 28 2HB ARG 3 1HB ARG 3 17.906 -9.541 9.236 29 1HG ARG 3 2HG ARG 3 19.977 -9.656 7.774 30 2HG ARG 3 1HG ARG 3 20.513 -8.196 8.607 31 1HD ARG 3 2HD ARG 3 19.983 -10.920 9.769 32 2HD ARG 3 1HD ARG 3 21.493 -10.014 9.762 33 HE ARG 3 HE ARG 3 19.160 -9.045 11.274 34 1HH1 ARG 3 1HH1 ARG 3 22.513 -10.053 11.155 35 2HH1 ARG 3 2HH1 ARG 3 22.813 -9.665 12.822 36 1HH2 ARG 3 1HH2 ARG 3 19.552 -8.564 13.473 37 2HH2 ARG 3 2HH2 ARG 3 21.145 -8.815 14.128 38 H GLN 4 H GLN 4 17.026 -6.235 9.135 39 HA GLN 4 HA GLN 4 14.242 -7.009 9.362 40 1HB GLN 4 2HB GLN 4 15.755 -4.635 10.444 41 2HB GLN 4 1HB GLN 4 14.094 -5.046 10.853 42 1HG GLN 4 2HG GLN 4 14.953 -7.233 11.733 43 2HG GLN 4 1HG GLN 4 16.584 -6.599 11.511 44 1HE2 GLN 4 1HE2 GLN 4 15.774 -3.880 12.230 45 2HE2 GLN 4 2HE2 GLN 4 15.556 -3.883 13.948 46 H LYS 5 H LYS 5 15.821 -5.623 6.960 47 HA LYS 5 HA LYS 5 14.553 -3.123 6.653 48 1HB LYS 5 2HB LYS 5 16.698 -3.996 5.522 49 2HB LYS 5 1HB LYS 5 15.606 -4.720 4.344 50 1HG LYS 5 2HG LYS 5 14.587 -2.405 4.128 51 2HG LYS 5 1HG LYS 5 16.013 -1.836 4.993 52 1HD LYS 5 2HD LYS 5 17.463 -2.711 3.270 53 2HD LYS 5 1HD LYS 5 16.087 -3.444 2.439 54 1HE LYS 5 2HE LYS 5 16.600 -1.446 1.269 55 2HE LYS 5 1HE LYS 5 15.137 -1.125 2.200 56 1HZ LYS 5 1HZ LYS 5 17.898 -0.217 2.753 57 2HZ LYS 5 2HZ LYS 5 16.689 -0.164 3.936 58 3HZ LYS 5 3HZ LYS 5 16.514 0.730 2.505 59 H ARG 6 H ARG 6 13.813 -6.360 5.459 60 HA ARG 6 HA ARG 6 11.608 -5.465 3.873 61 1HB ARG 6 2HB ARG 6 12.916 -7.624 3.524 62 2HB ARG 6 1HB ARG 6 12.020 -8.271 4.894 63 1HG ARG 6 2HG ARG 6 9.911 -7.779 3.685 64 2HG ARG 6 1HG ARG 6 10.873 -7.292 2.291 65 1HD ARG 6 2HD ARG 6 10.771 -10.018 3.567 66 2HD ARG 6 1HD ARG 6 10.116 -9.561 1.997 67 HE ARG 6 HE ARG 6 12.932 -9.994 2.678 68 1HH1 ARG 6 1HH1 ARG 6 10.593 -8.954 0.271 69 2HH1 ARG 6 2HH1 ARG 6 11.635 -9.314 -1.075 70 1HH2 ARG 6 1HH2 ARG 6 14.285 -10.480 0.900 71 2HH2 ARG 6 2HH2 ARG 6 13.712 -10.209 -0.718 72 H ASP 7 H ASP 7 12.066 -6.239 7.210 73 HA ASP 7 HA ASP 7 9.512 -7.002 8.003 74 1HB ASP 7 2HB ASP 7 11.685 -5.472 9.406 75 2HB ASP 7 1HB ASP 7 10.129 -5.720 10.185 76 H ARG 8 H ARG 8 10.848 -3.700 8.068 77 HA ARG 8 HA ARG 8 8.387 -2.474 8.714 78 1HB ARG 8 2HB ARG 8 9.540 -0.352 8.028 79 2HB ARG 8 1HB ARG 8 10.387 -1.302 9.239 80 1HG ARG 8 2HG ARG 8 11.873 -2.180 7.484 81 2HG ARG 8 1HG ARG 8 11.036 -1.178 6.298 82 1HD ARG 8 2HD ARG 8 12.356 -0.041 8.753 83 2HD ARG 8 1HD ARG 8 13.209 -0.259 7.226 84 HE ARG 8 HE ARG 8 11.554 1.276 6.237 85 1HH1 ARG 8 1HH1 ARG 8 11.932 1.284 9.705 86 2HH1 ARG 8 2HH1 ARG 8 11.429 2.939 9.894 87 1HH2 ARG 8 1HH2 ARG 8 10.931 3.482 6.464 88 2HH2 ARG 8 2HH2 ARG 8 10.905 4.201 8.045 89 H LEU 9 H LEU 9 9.859 -3.299 5.648 90 HA LEU 9 HA LEU 9 8.061 -1.662 4.116 91 1HB LEU 9 2HB LEU 9 10.123 -3.721 3.415 92 2HB LEU 9 1HB LEU 9 9.032 -3.090 2.194 93 HG LEU 9 HG LEU 9 10.884 -1.385 3.866 94 1HD1 LEU 9 1HD1 LEU 9 12.155 -2.840 2.382 95 2HD1 LEU 9 2HD1 LEU 9 12.212 -1.169 1.822 96 3HD1 LEU 9 3HD1 LEU 9 11.162 -2.334 1.014 97 1HD2 LEU 9 1HD2 LEU 9 9.209 -0.738 1.446 98 2HD2 LEU 9 2HD2 LEU 9 10.319 0.362 2.268 99 3HD2 LEU 9 3HD2 LEU 9 8.882 -0.228 3.103 100 H GLU 10 H GLU 10 8.197 -5.049 5.071 101 HA GLU 10 HA GLU 10 6.043 -5.897 3.432 102 1HB GLU 10 2HB GLU 10 7.673 -7.453 4.423 103 2HB GLU 10 1HB GLU 10 7.065 -7.066 6.025 104 1HG GLU 10 2HG GLU 10 4.907 -8.009 5.462 105 2HG GLU 10 1HG GLU 10 5.465 -8.349 3.825 106 H ARG 11 H ARG 11 6.277 -4.376 6.557 107 HA ARG 11 HA ARG 11 3.477 -4.753 7.154 108 1HB ARG 11 2HB ARG 11 5.250 -4.524 8.949 109 2HB ARG 11 1HB ARG 11 5.380 -2.824 8.505 110 1HG ARG 11 2HG ARG 11 3.009 -2.515 9.032 111 2HG ARG 11 1HG ARG 11 2.901 -4.209 9.508 112 1HD ARG 11 2HD ARG 11 4.601 -3.781 11.254 113 2HD ARG 11 1HD ARG 11 4.587 -2.073 10.810 114 HE ARG 11 HE ARG 11 2.126 -3.433 11.703 115 1HH1 ARG 11 1HH1 ARG 11 4.507 -0.905 12.091 116 2HH1 ARG 11 2HH1 ARG 11 3.573 -0.011 13.252 117 1HH2 ARG 11 1HH2 ARG 11 0.888 -2.283 13.232 118 2HH2 ARG 11 2HH2 ARG 11 1.508 -0.807 13.911 119 H ALA 12 H ALA 12 5.588 -2.348 5.746 120 HA ALA 12 HA ALA 12 3.741 -0.265 5.407 121 1HB ALA 12 1HB ALA 12 6.157 -0.062 4.915 122 2HB ALA 12 2HB ALA 12 5.148 0.481 3.575 123 3HB ALA 12 3HB ALA 12 5.934 -1.096 3.501 124 H GLN 13 H GLN 13 4.232 -3.293 3.733 125 HA GLN 13 HA GLN 13 2.586 -2.764 1.490 126 1HB GLN 13 2HB GLN 13 4.176 -4.675 1.675 127 2HB GLN 13 1HB GLN 13 3.086 -5.432 2.826 128 1HG GLN 13 2HG GLN 13 1.328 -5.450 1.083 129 2HG GLN 13 1HG GLN 13 2.513 -4.817 -0.061 130 1HE2 GLN 13 1HE2 GLN 13 2.415 -6.592 -1.390 131 2HE2 GLN 13 2HE2 GLN 13 3.040 -8.140 -0.939 132 H SER 14 H SER 14 1.922 -4.358 4.600 133 HA SER 14 HA SER 14 -0.842 -4.725 4.202 134 1HB SER 14 2HB SER 14 0.655 -4.363 6.813 135 2HB SER 14 1HB SER 14 -0.944 -5.082 6.622 136 HG SER 14 HG SER 14 0.122 -6.876 6.424 137 H GLN 15 H GLN 15 1.036 -2.103 5.631 138 HA GLN 15 HA GLN 15 -1.065 -0.485 6.524 139 1HB GLN 15 2HB GLN 15 1.343 -0.122 7.040 140 2HB GLN 15 1HB GLN 15 1.593 0.402 5.381 141 1HG GLN 15 2HG GLN 15 1.424 2.340 6.734 142 2HG GLN 15 1HG GLN 15 -0.057 2.222 5.781 143 1HE2 GLN 15 1HE2 GLN 15 1.350 1.988 8.940 144 2HE2 GLN 15 2HE2 GLN 15 -0.140 1.972 9.828 145 H GLY 16 H GLY 16 0.611 -0.597 3.405 146 1HA GLY 16 2HA GLY 16 -0.805 1.448 2.117 147 2HA GLY 16 1HA GLY 16 -0.002 0.103 1.317 148 H TYR 17 H TYR 17 -1.587 -1.950 2.599 149 HA TYR 17 HA TYR 17 -3.776 -2.067 0.836 150 1HB TYR 17 2HB TYR 17 -2.685 -4.054 1.894 151 2HB TYR 17 1HB TYR 17 -3.451 -3.612 3.418 152 HD1 TYR 17 HD2 TYR 17 -4.186 -4.571 -0.090 153 HD2 TYR 17 HD1 TYR 17 -5.654 -4.283 3.888 154 HE1 TYR 17 HE2 TYR 17 -6.209 -5.799 -0.756 155 HE2 TYR 17 HE1 TYR 17 -7.681 -5.513 3.239 156 HH TYR 17 HH TYR 17 -7.972 -7.105 0.197 157 H LYS 18 H LYS 18 -3.619 -1.301 4.321 158 HA LYS 18 HA LYS 18 -6.399 -0.662 4.496 159 1HB LYS 18 2HB LYS 18 -5.033 -1.243 6.490 160 2HB LYS 18 1HB LYS 18 -4.158 0.266 6.306 161 1HG LYS 18 2HG LYS 18 -6.276 1.490 6.623 162 2HG LYS 18 1HG LYS 18 -7.092 -0.047 6.894 163 1HD LYS 18 2HD LYS 18 -5.566 -0.458 8.812 164 2HD LYS 18 1HD LYS 18 -4.894 1.156 8.571 165 1HE LYS 18 2HE LYS 18 -7.138 2.118 8.917 166 2HE LYS 18 1HE LYS 18 -7.775 0.501 9.200 167 1HZ LYS 18 1HZ LYS 18 -6.064 0.377 11.054 168 2HZ LYS 18 2HZ LYS 18 -7.400 1.379 11.311 169 3HZ LYS 18 3HZ LYS 18 -5.910 2.058 10.887 170 H ALA 19 H ALA 19 -3.639 0.962 3.342 171 HA ALA 19 HA ALA 19 -4.676 3.626 3.633 172 1HB ALA 19 1HB ALA 19 -2.759 4.308 2.278 173 2HB ALA 19 2HB ALA 19 -2.387 2.617 1.948 174 3HB ALA 19 3HB ALA 19 -2.264 3.245 3.592 175 H GLY 20 H GLY 20 -4.944 1.047 1.370 176 1HA GLY 20 2HA GLY 20 -6.028 2.700 -0.733 177 2HA GLY 20 1HA GLY 20 -6.032 0.947 -0.663 178 H LEU 21 H LEU 21 -7.161 1.433 2.186 179 HA LEU 21 HA LEU 21 -9.964 1.571 1.333 180 1HB LEU 21 2HB LEU 21 -9.199 0.950 4.146 181 2HB LEU 21 1HB LEU 21 -10.518 0.312 3.187 182 HG LEU 21 HG LEU 21 -7.616 -0.499 2.976 183 1HD1 LEU 21 1HD1 LEU 21 -8.395 -2.637 3.853 184 2HD1 LEU 21 2HD1 LEU 21 -10.020 -1.976 4.033 185 3HD1 LEU 21 3HD1 LEU 21 -8.691 -1.325 4.993 186 1HD2 LEU 21 1HD2 LEU 21 -8.413 -2.235 1.459 187 2HD2 LEU 21 2HD2 LEU 21 -8.699 -0.619 0.813 188 3HD2 LEU 21 3HD2 LEU 21 -10.034 -1.542 1.512 189 H ASN 22 H ASN 22 -7.807 2.718 3.861 190 HA ASN 22 HA ASN 22 -9.687 4.836 4.585 191 1HB ASN 22 2HB ASN 22 -7.433 3.434 5.958 192 2HB ASN 22 1HB ASN 22 -7.904 5.044 6.490 193 1HD2 ASN 22 1HD2 ASN 22 -8.582 4.298 8.481 194 2HD2 ASN 22 2HD2 ASN 22 -10.042 3.386 8.682 195 H GLY 23 H GLY 23 -6.451 4.342 3.282 196 1HA GLY 23 2HA GLY 23 -5.546 6.973 4.097 197 2HA GLY 23 1HA GLY 23 -4.634 5.803 3.153 198 H ARG 24 H ARG 24 -7.103 5.602 1.427 199 HA ARG 24 HA ARG 24 -7.941 6.424 -0.498 200 1HB ARG 24 2HB ARG 24 -8.653 8.324 0.826 201 2HB ARG 24 1HB ARG 24 -7.079 9.079 0.624 202 1HG ARG 24 2HG ARG 24 -7.459 9.360 -1.729 203 2HG ARG 24 1HG ARG 24 -8.967 8.448 -1.629 204 1HD ARG 24 2HD ARG 24 -8.374 11.096 -0.316 205 2HD ARG 24 1HD ARG 24 -9.440 10.821 -1.697 206 HE ARG 24 HE ARG 24 -9.949 9.764 1.021 207 1HH1 ARG 24 1HH1 ARG 24 -11.069 11.114 -2.005 208 2HH1 ARG 24 2HH1 ARG 24 -12.746 11.083 -1.555 209 1HH2 ARG 24 1HH2 ARG 24 -12.137 9.703 1.613 210 2HH2 ARG 24 2HH2 ARG 24 -13.358 10.234 0.498 211 H SER 25 H SER 25 -5.038 8.421 0.062 212 HA SER 25 HA SER 25 -4.392 7.991 -2.779 213 1HB SER 25 2HB SER 25 -3.739 10.310 -0.967 214 2HB SER 25 1HB SER 25 -3.240 10.175 -2.643 215 HG SER 25 HG SER 25 -5.189 11.424 -2.316 216 H GLN 26 H GLN 26 -2.027 8.468 -3.264 217 HA GLN 26 HA GLN 26 -0.377 6.619 -1.796 218 1HB GLN 26 2HB GLN 26 0.508 8.524 -3.959 219 2HB GLN 26 1HB GLN 26 1.236 6.991 -3.510 220 1HG GLN 26 2HG GLN 26 -0.625 5.773 -4.396 221 2HG GLN 26 1HG GLN 26 -1.510 7.267 -4.700 222 1HE2 GLN 26 1HE2 GLN 26 -1.713 6.766 -6.889 223 2HE2 GLN 26 2HE2 GLN 26 -0.383 6.890 -7.989 224 H GLU 27 H GLU 27 -1.120 9.887 -1.650 225 HA GLU 27 HA GLU 27 1.181 11.167 -0.774 226 1HB GLU 27 2HB GLU 27 -1.318 11.950 -1.240 227 2HB GLU 27 1HB GLU 27 -1.448 11.779 0.502 228 1HG GLU 27 2HG GLU 27 -0.832 13.942 0.431 229 2HG GLU 27 1HG GLU 27 0.783 13.233 0.393 230 H ALA 28 H ALA 28 -0.704 8.764 0.752 231 HA ALA 28 HA ALA 28 -0.057 9.560 3.470 232 1HB ALA 28 1HB ALA 28 -2.309 8.805 2.919 233 2HB ALA 28 2HB ALA 28 -1.546 7.735 4.101 234 3HB ALA 28 3HB ALA 28 -1.664 7.245 2.411 235 H CYS 29 H CYS 29 2.075 8.573 1.603 236 HA CYS 29 HA CYS 29 2.878 6.129 3.030 237 1HB CYS 29 2HB CYS 29 2.749 5.954 0.557 238 2HB CYS 29 1HB CYS 29 3.961 7.223 0.426 239 HG CYS 29 HG CYS 29 4.339 3.965 1.133 240 HA PRO 30 HA PRO 30 5.908 9.137 4.664 241 1HB PRO 30 2HB PRO 30 5.362 8.910 7.235 242 2HB PRO 30 1HB PRO 30 4.195 9.692 6.158 243 1HG PRO 30 2HG PRO 30 4.144 6.941 7.329 244 2HG PRO 30 1HG PRO 30 2.806 8.069 7.056 245 1HD PRO 30 2HD PRO 30 3.577 5.942 5.362 246 2HD PRO 30 1HD PRO 30 2.436 7.242 4.977 247 H TYR 31 H TYR 31 6.511 6.242 3.976 248 HA TYR 31 HA TYR 31 8.122 5.506 6.337 249 1HB TYR 31 2HB TYR 31 7.029 3.772 4.118 250 2HB TYR 31 1HB TYR 31 8.121 3.198 5.374 251 HD1 TYR 31 HD2 TYR 31 7.176 4.242 7.825 252 HD2 TYR 31 HD1 TYR 31 4.888 2.986 4.465 253 HE1 TYR 31 HE2 TYR 31 5.261 3.800 9.303 254 HE2 TYR 31 HE1 TYR 31 2.966 2.549 5.931 255 HH TYR 31 HH TYR 31 2.625 3.752 8.910 256 H GLN 32 H GLN 32 8.274 5.967 2.874 257 HA GLN 32 HA GLN 32 11.015 6.493 2.706 258 1HB GLN 32 2HB GLN 32 10.946 3.934 3.276 259 2HB GLN 32 1HB GLN 32 10.383 3.739 1.628 260 1HG GLN 32 2HG GLN 32 12.616 3.363 1.373 261 2HG GLN 32 1HG GLN 32 12.537 5.087 1.032 262 1HE2 GLN 32 1HE2 GLN 32 12.129 5.709 3.919 263 2HE2 GLN 32 2HE2 GLN 32 13.696 5.533 4.638 264 H GLN 33 H GLN 33 11.615 6.258 0.154 265 HA GLN 33 HA GLN 33 9.175 6.994 -1.252 266 1HB GLN 33 2HB GLN 33 12.071 7.420 -1.908 267 2HB GLN 33 1HB GLN 33 10.758 7.803 -3.002 268 1HG GLN 33 2HG GLN 33 11.153 8.994 -0.270 269 2HG GLN 33 1HG GLN 33 11.550 9.775 -1.800 270 1HE2 GLN 33 1HE2 GLN 33 9.013 8.810 0.354 271 2HE2 GLN 33 2HE2 GLN 33 7.732 9.669 -0.439 272 H VAL 34 H VAL 34 12.146 5.432 -2.405 273 HA VAL 34 HA VAL 34 10.783 4.204 -4.560 274 HB VAL 34 HB VAL 34 13.537 3.700 -3.423 275 1HG1 VAL 34 1HG1 VAL 34 14.043 2.553 -5.524 276 2HG1 VAL 34 2HG1 VAL 34 12.359 2.724 -6.026 277 3HG1 VAL 34 3HG1 VAL 34 12.767 1.726 -4.630 278 1HG2 VAL 34 1HG2 VAL 34 14.292 5.013 -5.349 279 2HG2 VAL 34 2HG2 VAL 34 13.207 5.945 -4.318 280 3HG2 VAL 34 3HG2 VAL 34 12.615 5.265 -5.834 281 H ASP 35 H ASP 35 12.222 2.855 -1.624 282 HA ASP 35 HA ASP 35 11.489 0.168 -2.258 283 1HB ASP 35 2HB ASP 35 12.312 1.388 0.389 284 2HB ASP 35 1HB ASP 35 12.192 -0.338 0.063 285 H ALA 36 H ALA 36 10.166 2.701 -0.245 286 HA ALA 36 HA ALA 36 8.118 1.209 0.966 287 1HB ALA 36 1HB ALA 36 8.636 3.271 1.948 288 2HB ALA 36 2HB ALA 36 7.031 3.488 1.245 289 3HB ALA 36 3HB ALA 36 8.453 4.143 0.422 290 H ARG 37 H ARG 37 8.152 3.192 -2.001 291 HA ARG 37 HA ARG 37 5.414 2.970 -2.510 292 1HB ARG 37 2HB ARG 37 7.267 4.453 -3.605 293 2HB ARG 37 1HB ARG 37 7.393 3.122 -4.749 294 1HG ARG 37 2HG ARG 37 5.132 3.385 -5.425 295 2HG ARG 37 1HG ARG 37 4.812 4.528 -4.119 296 1HD ARG 37 2HD ARG 37 6.513 6.041 -5.133 297 2HD ARG 37 1HD ARG 37 6.609 4.929 -6.497 298 HE ARG 37 HE ARG 37 3.969 5.967 -5.842 299 1HH1 ARG 37 1HH1 ARG 37 6.804 6.139 -7.887 300 2HH1 ARG 37 2HH1 ARG 37 6.021 7.107 -9.104 301 1HH2 ARG 37 1HH2 ARG 37 2.920 7.216 -7.450 302 2HH2 ARG 37 2HH2 ARG 37 3.809 7.693 -8.873 303 H SER 38 H SER 38 8.083 0.792 -3.307 304 HA SER 38 HA SER 38 6.560 -0.773 -5.124 305 1HB SER 38 2HB SER 38 8.478 -2.456 -4.693 306 2HB SER 38 1HB SER 38 8.867 -0.921 -5.466 307 HG SER 38 HG SER 38 9.042 -1.215 -2.660 308 H TYR 39 H TYR 39 7.080 -0.876 -1.641 309 HA TYR 39 HA TYR 39 5.592 -3.377 -1.522 310 1HB TYR 39 2HB TYR 39 7.442 -2.010 0.283 311 2HB TYR 39 1HB TYR 39 6.066 -2.759 1.085 312 HD1 TYR 39 HD2 TYR 39 5.698 -5.175 0.926 313 HD2 TYR 39 HD1 TYR 39 9.174 -3.367 -0.729 314 HE1 TYR 39 HE2 TYR 39 6.766 -7.382 0.790 315 HE2 TYR 39 HE1 TYR 39 10.256 -5.574 -0.872 316 HH TYR 39 HH TYR 39 8.552 -8.486 -0.527 317 H TRP 40 H TRP 40 5.408 -0.175 -0.036 318 HA TRP 40 HA TRP 40 2.968 -0.526 1.292 319 1HB TRP 40 2HB TRP 40 4.594 1.259 1.785 320 2HB TRP 40 1HB TRP 40 4.248 2.008 0.235 321 HD1 TRP 40 HD1 TRP 40 2.907 1.664 3.767 322 HE1 TRP 40 HE1 TRP 40 0.989 3.349 4.097 323 HE3 TRP 40 HE3 TRP 40 2.334 3.207 -1.074 324 HZ2 TRP 40 HZ2 TRP 40 -0.550 5.097 2.525 325 HZ3 TRP 40 HZ3 TRP 40 0.608 4.891 -1.577 326 HH2 TRP 40 HH2 TRP 40 -0.806 5.812 0.188 327 H LEU 41 H LEU 41 3.670 0.973 -1.877 328 HA LEU 41 HA LEU 41 0.887 1.513 -2.352 329 1HB LEU 41 2HB LEU 41 3.109 2.673 -3.256 330 2HB LEU 41 1HB LEU 41 2.886 1.526 -4.562 331 HG LEU 41 HG LEU 41 0.632 3.329 -3.745 332 1HD1 LEU 41 1HD1 LEU 41 2.893 4.017 -5.615 333 2HD1 LEU 41 2HD1 LEU 41 2.552 4.785 -4.063 334 3HD1 LEU 41 3HD1 LEU 41 1.411 4.951 -5.398 335 1HD2 LEU 41 1HD2 LEU 41 0.049 3.093 -6.114 336 2HD2 LEU 41 2HD2 LEU 41 0.139 1.532 -5.301 337 3HD2 LEU 41 3HD2 LEU 41 1.456 2.054 -6.350 338 H GLY 42 H GLY 42 2.973 -1.140 -2.724 339 1HA GLY 42 2HA GLY 42 1.713 -2.556 -4.810 340 2HA GLY 42 1HA GLY 42 2.600 -3.277 -3.471 341 H GLY 43 H GLY 43 1.116 -2.483 -1.313 342 1HA GLY 43 2HA GLY 43 -1.188 -4.182 -1.473 343 2HA GLY 43 1HA GLY 43 -0.693 -3.225 -0.083 344 H TRP 44 H TRP 44 -0.603 -0.742 -1.570 345 HA TRP 44 HA TRP 44 -3.191 0.227 -1.200 346 1HB TRP 44 2HB TRP 44 -1.131 1.614 -1.282 347 2HB TRP 44 1HB TRP 44 -1.043 1.346 -3.017 348 HD1 TRP 44 HD1 TRP 44 -3.157 3.192 -0.386 349 HE1 TRP 44 HE1 TRP 44 -4.472 5.071 -1.564 350 HE3 TRP 44 HE3 TRP 44 -1.966 2.106 -5.239 351 HZ2 TRP 44 HZ2 TRP 44 -4.919 5.986 -4.194 352 HZ3 TRP 44 HZ3 TRP 44 -2.873 3.540 -7.024 353 HH2 TRP 44 HH2 TRP 44 -4.318 5.434 -6.513 354 H ARG 45 H ARG 45 -1.506 -0.532 -4.250 355 HA ARG 45 HA ARG 45 -3.736 -0.220 -5.927 356 1HB ARG 45 2HB ARG 45 -1.262 -1.919 -6.218 357 2HB ARG 45 1HB ARG 45 -2.492 -1.813 -7.468 358 1HG ARG 45 2HG ARG 45 -2.104 0.652 -7.530 359 2HG ARG 45 1HG ARG 45 -0.742 0.405 -6.433 360 1HD ARG 45 2HD ARG 45 0.051 0.497 -8.722 361 2HD ARG 45 1HD ARG 45 0.272 -1.130 -8.076 362 HE ARG 45 HE ARG 45 -1.889 -0.346 -9.934 363 1HH1 ARG 45 1HH1 ARG 45 0.323 -2.742 -8.639 364 2HH1 ARG 45 2HH1 ARG 45 -0.167 -3.976 -9.766 365 1HH2 ARG 45 1HH2 ARG 45 -2.509 -1.964 -11.408 366 2HH2 ARG 45 2HH2 ARG 45 -1.764 -3.529 -11.336 367 H ASP 46 H ASP 46 -2.488 -3.021 -4.181 368 HA ASP 46 HA ASP 46 -4.032 -5.013 -5.324 369 1HB ASP 46 2HB ASP 46 -2.145 -5.304 -3.677 370 2HB ASP 46 1HB ASP 46 -3.286 -4.895 -2.400 371 H ALA 47 H ALA 47 -4.776 -3.008 -2.486 372 HA ALA 47 HA ALA 47 -7.285 -4.084 -1.895 373 1HB ALA 47 1HB ALA 47 -6.074 -2.572 -0.402 374 2HB ALA 47 2HB ALA 47 -7.716 -2.003 -0.706 375 3HB ALA 47 3HB ALA 47 -6.354 -1.241 -1.525 376 H ARG 48 H ARG 48 -6.497 -1.199 -3.851 377 HA ARG 48 HA ARG 48 -9.143 -0.641 -4.612 378 1HB ARG 48 2HB ARG 48 -6.639 -0.051 -6.197 379 2HB ARG 48 1HB ARG 48 -8.200 0.730 -6.389 380 1HG ARG 48 2HG ARG 48 -7.949 1.506 -3.988 381 2HG ARG 48 1HG ARG 48 -6.269 0.975 -4.106 382 1HD ARG 48 2HD ARG 48 -6.187 3.241 -4.659 383 2HD ARG 48 1HD ARG 48 -6.161 2.419 -6.219 384 HE ARG 48 HE ARG 48 -8.412 3.908 -5.063 385 1HH1 ARG 48 1HH1 ARG 48 -7.044 2.160 -7.786 386 2HH1 ARG 48 2HH1 ARG 48 -8.219 2.763 -8.911 387 1HH2 ARG 48 1HH2 ARG 48 -9.951 4.690 -6.540 388 2HH2 ARG 48 2HH2 ARG 48 -9.883 4.183 -8.207 389 H ASP 49 H ASP 49 -6.584 -2.395 -6.350 390 HA ASP 49 HA ASP 49 -8.143 -3.041 -8.608 391 1HB ASP 49 2HB ASP 49 -5.589 -4.142 -7.483 392 2HB ASP 49 1HB ASP 49 -6.342 -4.867 -8.897 393 H GLU 50 H GLU 50 -8.324 -4.264 -5.483 394 HA GLU 50 HA GLU 50 -9.170 -6.934 -6.245 395 1HB GLU 50 2HB GLU 50 -7.919 -6.569 -4.123 396 2HB GLU 50 1HB GLU 50 -9.252 -5.586 -3.531 397 1HG GLU 50 2HG GLU 50 -10.734 -7.556 -3.737 398 2HG GLU 50 1HG GLU 50 -9.333 -8.520 -4.199 399 H LYS 51 H LYS 51 -10.447 -3.855 -5.270 400 HA LYS 51 HA LYS 51 -13.185 -4.900 -5.206 401 1HB LYS 51 2HB LYS 51 -12.153 -2.102 -4.686 402 2HB LYS 51 1HB LYS 51 -13.790 -2.676 -4.387 403 1HG LYS 51 2HG LYS 51 -12.923 -4.253 -2.725 404 2HG LYS 51 1HG LYS 51 -11.293 -3.646 -3.012 405 1HD LYS 51 2HD LYS 51 -12.000 -1.422 -2.263 406 2HD LYS 51 1HD LYS 51 -13.626 -2.044 -1.963 407 1HE LYS 51 2HE LYS 51 -12.653 -3.672 -0.369 408 2HE LYS 51 1HE LYS 51 -11.080 -2.917 -0.607 409 1HZ LYS 51 1HZ LYS 51 -12.157 -2.086 1.375 410 2HZ LYS 51 2HZ LYS 51 -13.496 -1.575 0.474 411 3HZ LYS 51 3HZ LYS 51 -11.985 -0.839 0.237 412 H GLN 52 H GLN 52 -10.918 -3.516 -7.217 413 HA GLN 52 HA GLN 52 -12.778 -2.247 -9.045 414 1HB GLN 52 2HB GLN 52 -9.839 -2.633 -8.859 415 2HB GLN 52 1HB GLN 52 -10.522 -2.243 -10.440 416 1HG GLN 52 2HG GLN 52 -10.815 -0.617 -7.917 417 2HG GLN 52 1HG GLN 52 -9.743 -0.250 -9.269 418 1HE2 GLN 52 1HE2 GLN 52 -13.020 -0.309 -8.140 419 2HE2 GLN 52 2HE2 GLN 52 -13.706 0.622 -9.432 420 H SER 53 H SER 53 -10.426 -4.903 -9.398 421 HA SER 53 HA SER 53 -11.498 -5.835 -11.836 422 1HB SER 53 2HB SER 53 -9.834 -7.390 -9.842 423 2HB SER 53 1HB SER 53 -10.016 -7.740 -11.561 424 HG SER 53 HG SER 53 -8.121 -6.376 -10.583 425 H GLY 54 H GLY 54 -12.485 -6.266 -8.598 426 1HA GLY 54 2HA GLY 54 -13.726 -8.808 -8.835 427 2HA GLY 54 1HA GLY 54 -14.025 -7.617 -7.578 428 H LEU 55 H LEU 55 -14.650 -5.633 -9.801 429 HA LEU 55 HA LEU 55 -17.481 -6.274 -9.805 430 1HB LEU 55 2HB LEU 55 -16.021 -3.784 -10.670 431 2HB LEU 55 1HB LEU 55 -17.764 -3.978 -10.647 432 HG LEU 55 HG LEU 55 -16.008 -4.167 -8.198 433 1HD1 LEU 55 1HD1 LEU 55 -17.688 -1.878 -9.201 434 2HD1 LEU 55 2HD1 LEU 55 -15.928 -1.922 -9.097 435 3HD1 LEU 55 3HD1 LEU 55 -16.899 -1.959 -7.625 436 1HD2 LEU 55 1HD2 LEU 55 -18.125 -3.991 -6.987 437 2HD2 LEU 55 2HD2 LEU 55 -18.101 -5.409 -8.034 438 3HD2 LEU 55 3HD2 LEU 55 -19.001 -3.973 -8.519 439 H TYR 56 H TYR 56 -16.269 -8.029 -11.430 440 HA TYR 56 HA TYR 56 -16.398 -7.228 -14.168 441 1HB TYR 56 2HB TYR 56 -16.416 -9.690 -14.607 442 2HB TYR 56 1HB TYR 56 -15.082 -9.168 -13.591 443 HD1 TYR 56 HD2 TYR 56 -18.297 -10.973 -13.646 444 HD2 TYR 56 HD1 TYR 56 -14.897 -9.918 -11.318 445 HE1 TYR 56 HE2 TYR 56 -18.939 -12.644 -11.964 446 HE2 TYR 56 HE1 TYR 56 -15.526 -11.589 -9.629 447 HH TYR 56 HH TYR 56 -17.589 -12.755 -8.865 448 H LYS 57 H LYS 57 -18.691 -7.462 -11.854 449 HA LYS 57 HA LYS 57 -20.834 -8.505 -13.539 450 1HB LYS 57 2HB LYS 57 -20.752 -9.255 -11.212 451 2HB LYS 57 1HB LYS 57 -20.808 -7.591 -10.655 452 1HG LYS 57 2HG LYS 57 -23.054 -7.441 -11.860 453 2HG LYS 57 1HG LYS 57 -22.985 -9.202 -11.941 454 1HD LYS 57 2HD LYS 57 -24.267 -8.451 -9.998 455 2HD LYS 57 1HD LYS 57 -22.804 -9.306 -9.502 456 1HE LYS 57 2HE LYS 57 -21.695 -7.265 -8.982 457 2HE LYS 57 1HE LYS 57 -22.982 -6.308 -9.715 458 1HZ LYS 57 1HZ LYS 57 -23.084 -6.334 -7.284 459 2HZ LYS 57 2HZ LYS 57 -23.292 -8.014 -7.298 460 3HZ LYS 57 3HZ LYS 57 -24.479 -7.008 -7.981 461 H LEU 58 H LEU 58 -19.926 -5.586 -11.768 462 HA LEU 58 HA LEU 58 -22.163 -4.047 -12.565 463 1HB LEU 58 2HB LEU 58 -20.804 -3.554 -10.573 464 2HB LEU 58 1HB LEU 58 -19.444 -3.154 -11.603 465 HG LEU 58 HG LEU 58 -20.712 -1.258 -12.532 466 1HD1 LEU 58 1HD1 LEU 58 -22.967 -2.118 -12.250 467 2HD1 LEU 58 2HD1 LEU 58 -22.798 -0.552 -11.456 468 3HD1 LEU 58 3HD1 LEU 58 -22.796 -2.032 -10.498 469 1HD2 LEU 58 1HD2 LEU 58 -19.231 -0.881 -10.659 470 2HD2 LEU 58 2HD2 LEU 58 -20.513 -1.313 -9.528 471 3HD2 LEU 58 3HD2 LEU 58 -20.661 0.141 -10.514 472 H GLU 59 H GLU 59 -18.753 -3.628 -13.463 473 HA GLU 59 HA GLU 59 -19.585 -2.352 -15.939 474 1HB GLU 59 2HB GLU 59 -17.764 -1.322 -14.669 475 2HB GLU 59 1HB GLU 59 -16.823 -2.801 -14.788 476 1HG GLU 59 2HG GLU 59 -16.132 -1.015 -16.366 477 2HG GLU 59 1HG GLU 59 -16.569 -2.535 -17.143 478 H HIS 60 H HIS 60 -20.228 -3.733 -17.421 479 HA HIS 60 HA HIS 60 -18.375 -5.858 -18.227 480 1HB HIS 60 2HB HIS 60 -20.424 -6.685 -16.880 481 2HB HIS 60 1HB HIS 60 -21.371 -6.235 -18.292 482 HD1 HIS 60 HD1 HIS 60 -21.908 -8.261 -19.579 483 HD2 HIS 60 HD2 HIS 60 -18.081 -8.429 -17.964 484 HE1 HIS 60 HE1 HIS 60 -20.939 -10.450 -20.350 485 HE2 HIS 60 HE2 HIS 60 -18.696 -10.608 -19.212 Start of MODEL 17 1 1H MET 1 1H MET 1 9.479 -4.727 14.854 2 2H MET 1 2H MET 1 10.200 -6.241 15.105 3 3H MET 1 3H MET 1 10.373 -5.458 13.612 4 HA MET 1 HA MET 1 11.476 -4.575 16.216 5 1HB MET 1 2HB MET 1 12.634 -6.490 15.107 6 2HB MET 1 1HB MET 1 12.903 -5.468 13.702 7 1HG MET 1 2HG MET 1 14.210 -3.926 15.100 8 2HG MET 1 1HG MET 1 13.972 -4.997 16.478 9 1HE MET 1 1HE MET 1 16.591 -5.045 16.866 10 2HE MET 1 2HE MET 1 16.850 -3.998 15.470 11 3HE MET 1 3HE MET 1 17.764 -5.498 15.628 12 H LYS 2 H LYS 2 10.352 -3.669 13.124 13 HA LYS 2 HA LYS 2 9.999 -1.632 12.217 14 1HB LYS 2 2HB LYS 2 9.706 -0.756 14.483 15 2HB LYS 2 1HB LYS 2 11.444 -0.529 14.633 16 1HG LYS 2 2HG LYS 2 11.373 1.090 12.787 17 2HG LYS 2 1HG LYS 2 9.622 0.890 12.698 18 1HD LYS 2 2HD LYS 2 9.427 1.667 15.020 19 2HD LYS 2 1HD LYS 2 11.177 1.894 15.080 20 1HE LYS 2 2HE LYS 2 11.016 3.534 13.267 21 2HE LYS 2 1HE LYS 2 9.267 3.314 13.228 22 1HZ LYS 2 1HZ LYS 2 9.973 5.279 14.493 23 2HZ LYS 2 2HZ LYS 2 10.792 4.277 15.589 24 3HZ LYS 2 3HZ LYS 2 9.104 4.181 15.447 25 H ARG 3 H ARG 3 13.298 -1.728 13.613 26 HA ARG 3 HA ARG 3 14.249 -0.297 11.262 27 1HB ARG 3 2HB ARG 3 14.990 0.380 13.558 28 2HB ARG 3 1HB ARG 3 15.853 -1.150 13.677 29 1HG ARG 3 2HG ARG 3 17.190 -0.522 11.707 30 2HG ARG 3 1HG ARG 3 16.356 1.030 11.659 31 1HD ARG 3 2HD ARG 3 18.506 1.268 12.743 32 2HD ARG 3 1HD ARG 3 17.207 1.539 13.905 33 HE ARG 3 HE ARG 3 17.744 -0.495 14.955 34 1HH1 ARG 3 1HH1 ARG 3 19.854 0.188 12.236 35 2HH1 ARG 3 2HH1 ARG 3 21.071 -0.939 12.741 36 1HH2 ARG 3 1HH2 ARG 3 19.348 -1.970 15.616 37 2HH2 ARG 3 2HH2 ARG 3 20.783 -2.169 14.654 38 H GLN 4 H GLN 4 13.571 -2.323 10.100 39 HA GLN 4 HA GLN 4 16.083 -3.647 9.419 40 1HB GLN 4 2HB GLN 4 13.468 -5.097 9.834 41 2HB GLN 4 1HB GLN 4 14.812 -5.776 8.938 42 1HG GLN 4 2HG GLN 4 16.196 -5.617 10.978 43 2HG GLN 4 1HG GLN 4 14.775 -5.049 11.856 44 1HE2 GLN 4 1HE2 GLN 4 14.796 -6.821 13.244 45 2HE2 GLN 4 2HE2 GLN 4 14.313 -8.400 12.721 46 H LYS 5 H LYS 5 15.980 -4.518 7.174 47 HA LYS 5 HA LYS 5 14.800 -2.520 5.515 48 1HB LYS 5 2HB LYS 5 16.188 -5.081 4.713 49 2HB LYS 5 1HB LYS 5 15.834 -3.723 3.651 50 1HG LYS 5 2HG LYS 5 17.267 -2.293 5.100 51 2HG LYS 5 1HG LYS 5 17.713 -3.741 6.004 52 1HD LYS 5 2HD LYS 5 19.441 -3.364 4.425 53 2HD LYS 5 1HD LYS 5 18.494 -4.723 3.819 54 1HE LYS 5 2HE LYS 5 17.329 -3.269 2.277 55 2HE LYS 5 1HE LYS 5 18.172 -1.861 2.927 56 1HZ LYS 5 1HZ LYS 5 19.241 -2.512 0.920 57 2HZ LYS 5 2HZ LYS 5 19.357 -4.126 1.423 58 3HZ LYS 5 3HZ LYS 5 20.276 -2.935 2.199 59 H ARG 6 H ARG 6 14.046 -5.906 6.209 60 HA ARG 6 HA ARG 6 11.846 -5.875 4.328 61 1HB ARG 6 2HB ARG 6 12.970 -8.002 4.715 62 2HB ARG 6 1HB ARG 6 12.570 -7.925 6.428 63 1HG ARG 6 2HG ARG 6 10.145 -7.867 5.731 64 2HG ARG 6 1HG ARG 6 10.694 -8.271 4.107 65 1HD ARG 6 2HD ARG 6 11.563 -10.361 4.836 66 2HD ARG 6 1HD ARG 6 11.342 -9.928 6.533 67 HE ARG 6 HE ARG 6 8.857 -9.799 5.234 68 1HH1 ARG 6 1HH1 ARG 6 11.203 -12.203 6.247 69 2HH1 ARG 6 2HH1 ARG 6 10.010 -13.450 6.441 70 1HH2 ARG 6 1HH2 ARG 6 7.299 -11.400 5.532 71 2HH2 ARG 6 2HH2 ARG 6 7.773 -12.991 6.064 72 H ASP 7 H ASP 7 12.270 -5.729 7.822 73 HA ASP 7 HA ASP 7 9.757 -6.090 8.804 74 1HB ASP 7 2HB ASP 7 11.834 -5.531 10.118 75 2HB ASP 7 1HB ASP 7 11.553 -3.846 9.734 76 H ARG 8 H ARG 8 11.073 -2.943 7.874 77 HA ARG 8 HA ARG 8 8.720 -1.511 8.392 78 1HB ARG 8 2HB ARG 8 9.831 0.345 7.290 79 2HB ARG 8 1HB ARG 8 10.955 -0.523 8.333 80 1HG ARG 8 2HG ARG 8 11.952 -1.611 6.429 81 2HG ARG 8 1HG ARG 8 10.778 -0.860 5.348 82 1HD ARG 8 2HD ARG 8 13.047 0.233 5.430 83 2HD ARG 8 1HD ARG 8 11.673 1.297 5.729 84 HE ARG 8 HE ARG 8 12.207 1.125 8.123 85 1HH1 ARG 8 1HH1 ARG 8 14.714 0.308 5.793 86 2HH1 ARG 8 2HH1 ARG 8 16.006 0.620 6.918 87 1HH2 ARG 8 1HH2 ARG 8 13.912 1.546 9.559 88 2HH2 ARG 8 2HH2 ARG 8 15.556 1.321 9.037 89 H LEU 9 H LEU 9 9.811 -3.214 5.552 90 HA LEU 9 HA LEU 9 7.840 -1.967 3.839 91 1HB LEU 9 2HB LEU 9 9.781 -4.226 3.364 92 2HB LEU 9 1HB LEU 9 8.719 -3.558 2.137 93 HG LEU 9 HG LEU 9 10.878 -2.017 3.585 94 1HD1 LEU 9 1HD1 LEU 9 12.047 -2.052 1.439 95 2HD1 LEU 9 2HD1 LEU 9 10.787 -3.090 0.768 96 3HD1 LEU 9 3HD1 LEU 9 11.814 -3.681 2.073 97 1HD2 LEU 9 1HD2 LEU 9 10.417 -0.275 1.941 98 2HD2 LEU 9 2HD2 LEU 9 8.998 -0.618 2.929 99 3HD2 LEU 9 3HD2 LEU 9 9.096 -1.239 1.281 100 H GLU 10 H GLU 10 8.285 -4.956 5.597 101 HA GLU 10 HA GLU 10 6.068 -6.407 4.643 102 1HB GLU 10 2HB GLU 10 7.835 -7.382 6.038 103 2HB GLU 10 1HB GLU 10 7.371 -6.350 7.380 104 1HG GLU 10 2HG GLU 10 6.539 -8.533 7.798 105 2HG GLU 10 1HG GLU 10 5.168 -7.494 7.417 106 H ARG 11 H ARG 11 6.427 -3.810 6.901 107 HA ARG 11 HA ARG 11 3.696 -3.964 7.847 108 1HB ARG 11 2HB ARG 11 6.081 -2.296 8.513 109 2HB ARG 11 1HB ARG 11 4.487 -1.660 8.891 110 1HG ARG 11 2HG ARG 11 5.440 -2.767 10.817 111 2HG ARG 11 1HG ARG 11 4.020 -3.641 10.251 112 1HD ARG 11 2HD ARG 11 5.463 -5.265 9.137 113 2HD ARG 11 1HD ARG 11 6.889 -4.377 9.674 114 HE ARG 11 HE ARG 11 5.263 -5.083 11.891 115 1HH1 ARG 11 1HH1 ARG 11 7.510 -6.476 9.582 116 2HH1 ARG 11 2HH1 ARG 11 8.040 -7.730 10.663 117 1HH2 ARG 11 1HH2 ARG 11 5.971 -6.734 13.310 118 2HH2 ARG 11 2HH2 ARG 11 7.158 -7.877 12.762 119 H ALA 12 H ALA 12 5.733 -1.867 5.874 120 HA ALA 12 HA ALA 12 3.873 0.056 5.137 121 1HB ALA 12 1HB ALA 12 6.290 0.138 4.598 122 2HB ALA 12 2HB ALA 12 5.259 0.480 3.209 123 3HB ALA 12 3HB ALA 12 6.025 -1.099 3.368 124 H GLN 13 H GLN 13 4.371 -3.212 3.885 125 HA GLN 13 HA GLN 13 2.628 -2.893 1.643 126 1HB GLN 13 2HB GLN 13 4.321 -4.692 1.771 127 2HB GLN 13 1HB GLN 13 3.409 -5.441 3.073 128 1HG GLN 13 2HG GLN 13 1.546 -5.851 1.602 129 2HG GLN 13 1HG GLN 13 2.351 -4.985 0.294 130 1HE2 GLN 13 1HE2 GLN 13 4.062 -5.948 -0.774 131 2HE2 GLN 13 2HE2 GLN 13 4.389 -7.639 -0.660 132 H SER 14 H SER 14 2.184 -4.102 4.922 133 HA SER 14 HA SER 14 -0.543 -4.844 4.568 134 1HB SER 14 2HB SER 14 0.913 -4.236 7.154 135 2HB SER 14 1HB SER 14 -0.546 -5.207 6.963 136 HG SER 14 HG SER 14 2.100 -5.819 6.139 137 H GLN 15 H GLN 15 1.128 -1.999 5.799 138 HA GLN 15 HA GLN 15 -1.161 -0.560 6.638 139 1HB GLN 15 2HB GLN 15 1.345 -0.178 7.163 140 2HB GLN 15 1HB GLN 15 1.399 0.681 5.635 141 1HG GLN 15 2HG GLN 15 -0.468 1.412 7.877 142 2HG GLN 15 1HG GLN 15 1.148 2.082 7.702 143 1HE2 GLN 15 1HE2 GLN 15 -2.109 2.184 6.639 144 2HE2 GLN 15 2HE2 GLN 15 -1.928 3.492 5.520 145 H GLY 16 H GLY 16 0.777 -0.506 3.668 146 1HA GLY 16 2HA GLY 16 -0.637 1.435 2.262 147 2HA GLY 16 1HA GLY 16 0.290 0.135 1.533 148 H TYR 17 H TYR 17 -1.242 -2.047 2.517 149 HA TYR 17 HA TYR 17 -3.272 -2.193 0.596 150 1HB TYR 17 2HB TYR 17 -2.219 -4.182 1.617 151 2HB TYR 17 1HB TYR 17 -3.017 -3.810 3.142 152 HD1 TYR 17 HD1 TYR 17 -3.879 -4.361 -0.452 153 HD2 TYR 17 HD2 TYR 17 -4.997 -4.905 3.617 154 HE1 TYR 17 HE1 TYR 17 -5.828 -5.668 -1.168 155 HE2 TYR 17 HE2 TYR 17 -6.955 -6.210 2.908 156 HH TYR 17 HH TYR 17 -7.344 -7.309 -0.330 157 H LYS 18 H LYS 18 -3.521 -1.721 4.130 158 HA LYS 18 HA LYS 18 -6.312 -1.279 4.140 159 1HB LYS 18 2HB LYS 18 -5.006 -1.800 6.178 160 2HB LYS 18 1HB LYS 18 -4.251 -0.217 6.088 161 1HG LYS 18 2HG LYS 18 -6.441 0.840 6.380 162 2HG LYS 18 1HG LYS 18 -7.188 -0.755 6.483 163 1HD LYS 18 2HD LYS 18 -5.839 -1.250 8.472 164 2HD LYS 18 1HD LYS 18 -5.109 0.355 8.371 165 1HE LYS 18 2HE LYS 18 -7.306 1.376 8.682 166 2HE LYS 18 1HE LYS 18 -8.047 -0.221 8.763 167 1HZ LYS 18 1HZ LYS 18 -6.103 0.945 10.675 168 2HZ LYS 18 2HZ LYS 18 -6.621 -0.665 10.722 169 3HZ LYS 18 3HZ LYS 18 -7.736 0.592 10.970 170 H ALA 19 H ALA 19 -3.558 0.833 3.614 171 HA ALA 19 HA ALA 19 -4.972 3.286 3.667 172 1HB ALA 19 1HB ALA 19 -2.426 2.584 2.219 173 2HB ALA 19 2HB ALA 19 -2.548 3.191 3.870 174 3HB ALA 19 3HB ALA 19 -3.027 4.215 2.514 175 H GLY 20 H GLY 20 -4.820 0.751 1.356 176 1HA GLY 20 2HA GLY 20 -5.624 2.268 -0.919 177 2HA GLY 20 1HA GLY 20 -5.799 0.534 -0.708 178 H LEU 21 H LEU 21 -7.358 0.493 1.594 179 HA LEU 21 HA LEU 21 -9.933 1.167 0.455 180 1HB LEU 21 2HB LEU 21 -9.290 -0.126 3.108 181 2HB LEU 21 1HB LEU 21 -10.879 0.002 2.398 182 HG LEU 21 HG LEU 21 -10.353 -2.182 1.940 183 1HD1 LEU 21 1HD1 LEU 21 -9.290 -0.688 -0.443 184 2HD1 LEU 21 2HD1 LEU 21 -10.960 -1.180 -0.154 185 3HD1 LEU 21 3HD1 LEU 21 -9.713 -2.399 -0.429 186 1HD2 LEU 21 1HD2 LEU 21 -8.106 -2.140 2.843 187 2HD2 LEU 21 2HD2 LEU 21 -7.516 -1.361 1.374 188 3HD2 LEU 21 3HD2 LEU 21 -8.149 -3.005 1.306 189 H ASN 22 H ASN 22 -8.024 2.022 3.300 190 HA ASN 22 HA ASN 22 -10.086 3.914 4.154 191 1HB ASN 22 2HB ASN 22 -7.833 2.506 5.490 192 2HB ASN 22 1HB ASN 22 -8.332 4.062 6.137 193 1HD2 ASN 22 1HD2 ASN 22 -9.243 0.752 5.586 194 2HD2 ASN 22 2HD2 ASN 22 -10.639 0.757 6.615 195 H GLY 23 H GLY 23 -6.711 3.853 3.109 196 1HA GLY 23 2HA GLY 23 -6.238 6.579 3.973 197 2HA GLY 23 1HA GLY 23 -5.122 5.560 3.070 198 H ARG 24 H ARG 24 -7.403 5.012 1.193 199 HA ARG 24 HA ARG 24 -8.256 5.708 -0.772 200 1HB ARG 24 2HB ARG 24 -9.315 7.511 0.447 201 2HB ARG 24 1HB ARG 24 -7.841 8.466 0.367 202 1HG ARG 24 2HG ARG 24 -8.048 8.588 -2.064 203 2HG ARG 24 1HG ARG 24 -9.523 7.622 -1.984 204 1HD ARG 24 2HD ARG 24 -10.580 9.360 -0.623 205 2HD ARG 24 1HD ARG 24 -9.107 10.326 -0.718 206 HE ARG 24 HE ARG 24 -9.535 10.230 -3.231 207 1HH1 ARG 24 1HH1 ARG 24 -12.085 10.194 -0.825 208 2HH1 ARG 24 2HH1 ARG 24 -13.239 10.971 -1.871 209 1HH2 ARG 24 1HH2 ARG 24 -11.045 11.210 -4.601 210 2HH2 ARG 24 2HH2 ARG 24 -12.664 11.514 -4.031 211 H SER 25 H SER 25 -5.590 7.934 0.021 212 HA SER 25 HA SER 25 -4.751 7.761 -2.791 213 1HB SER 25 2HB SER 25 -4.143 9.876 -0.725 214 2HB SER 25 1HB SER 25 -3.657 9.922 -2.412 215 HG SER 25 HG SER 25 -5.949 10.739 -1.325 216 H GLN 26 H GLN 26 -2.396 8.124 -3.169 217 HA GLN 26 HA GLN 26 -0.793 6.282 -1.615 218 1HB GLN 26 2HB GLN 26 0.212 8.110 -3.780 219 2HB GLN 26 1HB GLN 26 0.829 6.533 -3.312 220 1HG GLN 26 2HG GLN 26 -1.050 5.428 -4.282 221 2HG GLN 26 1HG GLN 26 -1.871 6.961 -4.568 222 1HE2 GLN 26 1HE2 GLN 26 0.522 8.319 -5.497 223 2HE2 GLN 26 2HE2 GLN 26 0.872 7.686 -7.070 224 H GLU 27 H GLU 27 -1.602 9.504 -1.454 225 HA GLU 27 HA GLU 27 0.766 10.784 -0.657 226 1HB GLU 27 2HB GLU 27 -1.446 11.807 -1.371 227 2HB GLU 27 1HB GLU 27 -2.041 11.451 0.243 228 1HG GLU 27 2HG GLU 27 -0.244 12.873 1.167 229 2HG GLU 27 1HG GLU 27 0.231 13.285 -0.481 230 H ALA 28 H ALA 28 -1.079 8.427 0.877 231 HA ALA 28 HA ALA 28 -0.597 9.320 3.595 232 1HB ALA 28 1HB ALA 28 -2.755 8.336 2.957 233 2HB ALA 28 2HB ALA 28 -1.953 7.421 4.238 234 3HB ALA 28 3HB ALA 28 -1.935 6.822 2.581 235 H CYS 29 H CYS 29 1.615 8.344 1.704 236 HA CYS 29 HA CYS 29 2.575 6.053 3.261 237 1HB CYS 29 2HB CYS 29 2.609 5.752 0.840 238 2HB CYS 29 1HB CYS 29 3.586 7.203 0.649 239 HG CYS 29 HG CYS 29 5.367 5.195 0.213 240 HA PRO 30 HA PRO 30 5.310 9.193 5.076 241 1HB PRO 30 2HB PRO 30 4.956 8.587 7.612 242 2HB PRO 30 1HB PRO 30 3.629 9.322 6.700 243 1HG PRO 30 2HG PRO 30 4.042 6.456 7.463 244 2HG PRO 30 1HG PRO 30 2.550 7.412 7.480 245 1HD PRO 30 2HD PRO 30 3.358 5.682 5.429 246 2HD PRO 30 1HD PRO 30 2.108 6.928 5.304 247 H TYR 31 H TYR 31 5.958 6.202 4.214 248 HA TYR 31 HA TYR 31 7.841 5.533 6.354 249 1HB TYR 31 2HB TYR 31 6.780 3.909 4.046 250 2HB TYR 31 1HB TYR 31 8.053 3.341 5.119 251 HD1 TYR 31 HD1 TYR 31 7.464 3.437 7.677 252 HD2 TYR 31 HD2 TYR 31 4.588 3.381 4.548 253 HE1 TYR 31 HE1 TYR 31 5.783 2.584 9.249 254 HE2 TYR 31 HE2 TYR 31 2.891 2.535 6.115 255 HH TYR 31 HH TYR 31 3.260 2.616 9.429 256 H GLN 32 H GLN 32 8.131 4.843 2.899 257 HA GLN 32 HA GLN 32 10.798 6.051 2.885 258 1HB GLN 32 2HB GLN 32 11.023 3.699 3.617 259 2HB GLN 32 1HB GLN 32 10.180 3.169 2.180 260 1HG GLN 32 2HG GLN 32 12.007 3.849 0.783 261 2HG GLN 32 1HG GLN 32 12.833 4.580 2.168 262 1HE2 GLN 32 1HE2 GLN 32 14.643 3.246 1.914 263 2HE2 GLN 32 2HE2 GLN 32 14.602 1.567 2.323 264 H GLN 33 H GLN 33 11.672 5.609 0.431 265 HA GLN 33 HA GLN 33 9.496 6.706 -1.161 266 1HB GLN 33 2HB GLN 33 11.453 8.096 -0.920 267 2HB GLN 33 1HB GLN 33 12.469 6.815 -1.562 268 1HG GLN 33 2HG GLN 33 11.402 6.998 -3.719 269 2HG GLN 33 1HG GLN 33 10.281 8.207 -3.090 270 1HE2 GLN 33 1HE2 GLN 33 10.990 10.285 -2.717 271 2HE2 GLN 33 2HE2 GLN 33 12.502 10.882 -3.333 272 H VAL 34 H VAL 34 12.371 4.834 -2.113 273 HA VAL 34 HA VAL 34 10.976 3.911 -4.440 274 HB VAL 34 HB VAL 34 13.710 3.269 -3.334 275 1HG1 VAL 34 1HG1 VAL 34 12.940 1.365 -4.599 276 2HG1 VAL 34 2HG1 VAL 34 14.188 2.225 -5.502 277 3HG1 VAL 34 3HG1 VAL 34 12.489 2.405 -5.949 278 1HG2 VAL 34 1HG2 VAL 34 13.471 5.545 -4.121 279 2HG2 VAL 34 2HG2 VAL 34 12.803 4.975 -5.651 280 3HG2 VAL 34 3HG2 VAL 34 14.482 4.628 -5.236 281 H ASP 35 H ASP 35 12.320 2.350 -1.561 282 HA ASP 35 HA ASP 35 11.533 -0.277 -2.365 283 1HB ASP 35 2HB ASP 35 12.311 0.776 0.371 284 2HB ASP 35 1HB ASP 35 12.082 -0.926 -0.013 285 H ALA 36 H ALA 36 10.222 2.144 -0.189 286 HA ALA 36 HA ALA 36 7.994 0.687 0.702 287 1HB ALA 36 1HB ALA 36 8.528 2.589 1.942 288 2HB ALA 36 2HB ALA 36 7.038 3.023 1.103 289 3HB ALA 36 3HB ALA 36 8.595 3.623 0.510 290 H ARG 37 H ARG 37 8.599 2.528 -2.219 291 HA ARG 37 HA ARG 37 5.934 2.867 -3.038 292 1HB ARG 37 2HB ARG 37 8.061 3.907 -4.011 293 2HB ARG 37 1HB ARG 37 8.259 2.406 -4.901 294 1HG ARG 37 2HG ARG 37 6.235 2.763 -6.105 295 2HG ARG 37 1HG ARG 37 5.814 4.142 -5.083 296 1HD ARG 37 2HD ARG 37 7.836 5.308 -5.883 297 2HD ARG 37 1HD ARG 37 8.161 3.953 -6.963 298 HE ARG 37 HE ARG 37 5.667 4.661 -7.675 299 1HH1 ARG 37 1HH1 ARG 37 8.617 6.483 -7.244 300 2HH1 ARG 37 2HH1 ARG 37 8.195 7.700 -8.407 301 1HH2 ARG 37 1HH2 ARG 37 5.091 6.266 -9.203 302 2HH2 ARG 37 2HH2 ARG 37 6.190 7.587 -9.510 303 H SER 38 H SER 38 8.269 0.263 -3.635 304 HA SER 38 HA SER 38 6.530 -1.214 -5.323 305 1HB SER 38 2HB SER 38 8.968 -2.141 -3.793 306 2HB SER 38 1HB SER 38 8.205 -2.981 -5.146 307 HG SER 38 HG SER 38 8.583 -0.846 -6.273 308 H TYR 39 H TYR 39 7.074 -1.158 -1.858 309 HA TYR 39 HA TYR 39 5.513 -3.580 -1.524 310 1HB TYR 39 2HB TYR 39 7.140 -1.910 0.355 311 2HB TYR 39 1HB TYR 39 6.011 -3.114 0.967 312 HD1 TYR 39 HD1 TYR 39 9.010 -2.674 -1.189 313 HD2 TYR 39 HD2 TYR 39 6.596 -5.388 1.030 314 HE1 TYR 39 HE1 TYR 39 10.721 -4.419 -1.466 315 HE2 TYR 39 HE2 TYR 39 8.300 -7.136 0.758 316 HH TYR 39 HH TYR 39 10.151 -7.703 -0.717 317 H TRP 40 H TRP 40 5.394 -0.258 -0.292 318 HA TRP 40 HA TRP 40 2.888 -0.531 0.994 319 1HB TRP 40 2HB TRP 40 4.615 1.203 1.529 320 2HB TRP 40 1HB TRP 40 4.226 2.004 0.017 321 HD1 TRP 40 HD1 TRP 40 3.076 1.649 3.585 322 HE1 TRP 40 HE1 TRP 40 1.099 3.244 4.019 323 HE3 TRP 40 HE3 TRP 40 2.125 3.084 -1.229 324 HZ2 TRP 40 HZ2 TRP 40 -0.628 4.887 2.514 325 HZ3 TRP 40 HZ3 TRP 40 0.292 4.670 -1.644 326 HH2 TRP 40 HH2 TRP 40 -1.056 5.552 0.189 327 H LEU 41 H LEU 41 3.815 1.008 -2.110 328 HA LEU 41 HA LEU 41 1.100 1.678 -2.732 329 1HB LEU 41 2HB LEU 41 3.452 2.643 -3.576 330 2HB LEU 41 1HB LEU 41 3.159 1.506 -4.873 331 HG LEU 41 HG LEU 41 1.216 3.679 -4.096 332 1HD1 LEU 41 1HD1 LEU 41 3.301 4.682 -4.823 333 2HD1 LEU 41 2HD1 LEU 41 2.055 4.892 -6.052 334 3HD1 LEU 41 3HD1 LEU 41 3.305 3.667 -6.266 335 1HD2 LEU 41 1HD2 LEU 41 0.202 1.822 -5.296 336 2HD2 LEU 41 2HD2 LEU 41 1.432 1.942 -6.553 337 3HD2 LEU 41 3HD2 LEU 41 0.275 3.254 -6.322 338 H GLY 42 H GLY 42 3.221 -1.007 -3.302 339 1HA GLY 42 2HA GLY 42 1.804 -2.377 -5.295 340 2HA GLY 42 1HA GLY 42 2.803 -3.132 -4.059 341 H GLY 43 H GLY 43 1.496 -2.516 -1.752 342 1HA GLY 43 2HA GLY 43 -0.770 -4.257 -1.793 343 2HA GLY 43 1HA GLY 43 -0.209 -3.311 -0.420 344 H TRP 44 H TRP 44 -0.345 -0.762 -1.682 345 HA TRP 44 HA TRP 44 -2.989 0.001 -1.220 346 1HB TRP 44 2HB TRP 44 -1.099 1.572 -1.170 347 2HB TRP 44 1HB TRP 44 -0.882 1.378 -2.905 348 HD1 TRP 44 HD1 TRP 44 -3.160 3.058 -0.336 349 HE1 TRP 44 HE1 TRP 44 -4.583 4.838 -1.532 350 HE3 TRP 44 HE3 TRP 44 -1.890 2.003 -5.177 351 HZ2 TRP 44 HZ2 TRP 44 -5.096 5.685 -4.174 352 HZ3 TRP 44 HZ3 TRP 44 -2.891 3.346 -6.980 353 HH2 TRP 44 HH2 TRP 44 -4.461 5.151 -6.486 354 H ARG 45 H ARG 45 -1.284 -0.540 -4.296 355 HA ARG 45 HA ARG 45 -3.582 -0.024 -5.894 356 1HB ARG 45 2HB ARG 45 -0.880 -0.258 -6.381 357 2HB ARG 45 1HB ARG 45 -1.524 -1.721 -7.114 358 1HG ARG 45 2HG ARG 45 -2.660 0.999 -7.694 359 2HG ARG 45 1HG ARG 45 -1.312 0.318 -8.606 360 1HD ARG 45 2HD ARG 45 -3.854 -1.229 -8.252 361 2HD ARG 45 1HD ARG 45 -3.735 0.025 -9.487 362 HE ARG 45 HE ARG 45 -1.965 -1.242 -10.519 363 1HH1 ARG 45 1HH1 ARG 45 -3.771 -2.935 -8.038 364 2HH1 ARG 45 2HH1 ARG 45 -3.320 -4.513 -8.612 365 1HH2 ARG 45 1HH2 ARG 45 -1.399 -3.314 -11.286 366 2HH2 ARG 45 2HH2 ARG 45 -1.990 -4.728 -10.462 367 H ASP 46 H ASP 46 -2.319 -2.817 -4.280 368 HA ASP 46 HA ASP 46 -3.803 -4.813 -5.624 369 1HB ASP 46 2HB ASP 46 -1.935 -5.248 -4.007 370 2HB ASP 46 1HB ASP 46 -3.012 -4.777 -2.699 371 H ALA 47 H ALA 47 -4.462 -2.993 -2.646 372 HA ALA 47 HA ALA 47 -7.098 -3.866 -2.246 373 1HB ALA 47 1HB ALA 47 -7.341 -1.883 -0.830 374 2HB ALA 47 2HB ALA 47 -5.851 -1.221 -1.504 375 3HB ALA 47 3HB ALA 47 -5.802 -2.695 -0.537 376 H ARG 48 H ARG 48 -5.786 -1.137 -4.065 377 HA ARG 48 HA ARG 48 -8.204 0.025 -4.862 378 1HB ARG 48 2HB ARG 48 -5.912 1.018 -5.146 379 2HB ARG 48 1HB ARG 48 -5.655 -0.088 -6.489 380 1HG ARG 48 2HG ARG 48 -6.291 2.080 -7.319 381 2HG ARG 48 1HG ARG 48 -7.573 0.912 -7.655 382 1HD ARG 48 2HD ARG 48 -8.740 1.704 -5.599 383 2HD ARG 48 1HD ARG 48 -7.513 2.960 -5.440 384 HE ARG 48 HE ARG 48 -8.782 2.964 -8.008 385 1HH1 ARG 48 1HH1 ARG 48 -9.068 4.086 -4.689 386 2HH1 ARG 48 2HH1 ARG 48 -10.172 5.368 -5.101 387 1HH2 ARG 48 1HH2 ARG 48 -10.209 4.654 -8.531 388 2HH2 ARG 48 2HH2 ARG 48 -10.812 5.696 -7.266 389 H ASP 49 H ASP 49 -6.302 -2.598 -6.280 390 HA ASP 49 HA ASP 49 -8.139 -2.933 -8.479 391 1HB ASP 49 2HB ASP 49 -5.662 -3.404 -8.630 392 2HB ASP 49 1HB ASP 49 -5.952 -4.832 -7.642 393 H GLU 50 H GLU 50 -8.248 -3.699 -5.305 394 HA GLU 50 HA GLU 50 -9.530 -6.291 -5.532 395 1HB GLU 50 2HB GLU 50 -8.114 -5.624 -3.546 396 2HB GLU 50 1HB GLU 50 -9.377 -4.484 -3.107 397 1HG GLU 50 2HG GLU 50 -9.594 -6.491 -1.800 398 2HG GLU 50 1HG GLU 50 -10.965 -6.345 -2.900 399 H LYS 51 H LYS 51 -10.309 -2.919 -5.215 400 HA LYS 51 HA LYS 51 -13.172 -3.450 -5.137 401 1HB LYS 51 2HB LYS 51 -12.694 -1.488 -3.962 402 2HB LYS 51 1HB LYS 51 -11.460 -0.981 -5.108 403 1HG LYS 51 2HG LYS 51 -13.093 -0.274 -6.681 404 2HG LYS 51 1HG LYS 51 -14.393 -1.046 -5.774 405 1HD LYS 51 2HD LYS 51 -12.725 1.101 -4.519 406 2HD LYS 51 1HD LYS 51 -14.073 1.515 -5.580 407 1HE LYS 51 2HE LYS 51 -14.291 -0.278 -3.168 408 2HE LYS 51 1HE LYS 51 -14.666 1.445 -3.159 409 1HZ LYS 51 1HZ LYS 51 -16.023 -0.636 -4.806 410 2HZ LYS 51 2HZ LYS 51 -16.364 1.023 -4.847 411 3HZ LYS 51 3HZ LYS 51 -16.662 0.134 -3.434 412 H GLN 52 H GLN 52 -10.578 -2.806 -7.274 413 HA GLN 52 HA GLN 52 -12.150 -2.145 -9.579 414 1HB GLN 52 2HB GLN 52 -9.585 -1.801 -8.948 415 2HB GLN 52 1HB GLN 52 -9.424 -3.327 -9.805 416 1HG GLN 52 2HG GLN 52 -10.885 -1.059 -11.081 417 2HG GLN 52 1HG GLN 52 -9.124 -1.086 -11.078 418 1HE2 GLN 52 1HE2 GLN 52 -8.881 -3.942 -11.294 419 2HE2 GLN 52 2HE2 GLN 52 -9.366 -4.368 -12.901 420 H SER 53 H SER 53 -11.313 -4.988 -7.909 421 HA SER 53 HA SER 53 -11.678 -6.879 -10.008 422 1HB SER 53 2HB SER 53 -10.408 -7.391 -7.944 423 2HB SER 53 1HB SER 53 -11.888 -7.228 -7.003 424 HG SER 53 HG SER 53 -10.982 -9.330 -8.502 425 H GLY 54 H GLY 54 -13.786 -4.862 -8.297 426 1HA GLY 54 2HA GLY 54 -16.121 -6.539 -8.422 427 2HA GLY 54 1HA GLY 54 -16.092 -4.808 -8.101 428 H LEU 55 H LEU 55 -14.270 -5.193 -10.734 429 HA LEU 55 HA LEU 55 -14.457 -5.039 -12.973 430 1HB LEU 55 2HB LEU 55 -17.277 -6.042 -12.595 431 2HB LEU 55 1HB LEU 55 -16.415 -5.949 -14.119 432 HG LEU 55 HG LEU 55 -15.714 -7.729 -11.785 433 1HD1 LEU 55 1HD1 LEU 55 -16.765 -8.384 -14.536 434 2HD1 LEU 55 2HD1 LEU 55 -17.688 -8.462 -13.035 435 3HD1 LEU 55 3HD1 LEU 55 -16.323 -9.550 -13.286 436 1HD2 LEU 55 1HD2 LEU 55 -14.024 -8.681 -13.300 437 2HD2 LEU 55 2HD2 LEU 55 -13.700 -6.993 -12.906 438 3HD2 LEU 55 3HD2 LEU 55 -14.389 -7.415 -14.473 439 H TYR 56 H TYR 56 -15.937 -3.131 -10.857 440 HA TYR 56 HA TYR 56 -16.637 -0.984 -10.885 441 1HB TYR 56 2HB TYR 56 -14.946 -0.431 -12.452 442 2HB TYR 56 1HB TYR 56 -15.813 -1.198 -13.776 443 HD1 TYR 56 HD1 TYR 56 -16.263 1.575 -11.297 444 HD2 TYR 56 HD2 TYR 56 -16.962 0.151 -15.246 445 HE1 TYR 56 HE1 TYR 56 -17.263 3.742 -11.897 446 HE2 TYR 56 HE2 TYR 56 -17.965 2.308 -15.854 447 HH TYR 56 HH TYR 56 -18.975 4.213 -14.868 448 H LYS 57 H LYS 57 -17.864 -2.653 -13.755 449 HA LYS 57 HA LYS 57 -20.312 -1.176 -13.776 450 1HB LYS 57 2HB LYS 57 -19.454 -3.662 -15.260 451 2HB LYS 57 1HB LYS 57 -20.940 -2.775 -15.574 452 1HG LYS 57 2HG LYS 57 -19.734 -0.865 -16.323 453 2HG LYS 57 1HG LYS 57 -18.203 -1.544 -15.772 454 1HD LYS 57 2HD LYS 57 -19.935 -2.736 -17.938 455 2HD LYS 57 1HD LYS 57 -18.531 -1.708 -18.226 456 1HE LYS 57 2HE LYS 57 -18.508 -4.373 -16.811 457 2HE LYS 57 1HE LYS 57 -17.968 -4.074 -18.462 458 1HZ LYS 57 1HZ LYS 57 -16.091 -4.138 -16.996 459 2HZ LYS 57 2HZ LYS 57 -16.763 -2.949 -15.992 460 3HZ LYS 57 3HZ LYS 57 -16.285 -2.551 -17.564 461 H LEU 58 H LEU 58 -19.215 -3.934 -12.089 462 HA LEU 58 HA LEU 58 -21.928 -4.881 -11.627 463 1HB LEU 58 2HB LEU 58 -19.219 -6.007 -11.035 464 2HB LEU 58 1HB LEU 58 -20.612 -6.574 -10.141 465 HG LEU 58 HG LEU 58 -21.679 -7.178 -12.334 466 1HD1 LEU 58 1HD1 LEU 58 -18.921 -6.617 -13.410 467 2HD1 LEU 58 2HD1 LEU 58 -20.398 -5.737 -13.808 468 3HD1 LEU 58 3HD1 LEU 58 -20.223 -7.427 -14.283 469 1HD2 LEU 58 1HD2 LEU 58 -19.059 -8.518 -11.684 470 2HD2 LEU 58 2HD2 LEU 58 -20.377 -9.219 -12.624 471 3HD2 LEU 58 3HD2 LEU 58 -20.613 -8.848 -10.917 472 H GLU 59 H GLU 59 -19.528 -5.139 -9.121 473 HA GLU 59 HA GLU 59 -19.840 -4.778 -6.864 474 1HB GLU 59 2HB GLU 59 -19.986 -1.990 -8.025 475 2HB GLU 59 1HB GLU 59 -19.773 -2.328 -6.316 476 1HG GLU 59 2HG GLU 59 -17.698 -3.623 -6.975 477 2HG GLU 59 1HG GLU 59 -17.883 -2.898 -8.572 478 H HIS 60 H HIS 60 -22.125 -5.819 -7.461 479 HA HIS 60 HA HIS 60 -24.299 -3.931 -7.558 480 1HB HIS 60 2HB HIS 60 -24.133 -6.135 -8.847 481 2HB HIS 60 1HB HIS 60 -24.567 -6.924 -7.335 482 HD1 HIS 60 HD1 HIS 60 -25.973 -4.035 -9.390 483 HD2 HIS 60 HD2 HIS 60 -27.227 -7.351 -7.215 484 HE1 HIS 60 HE1 HIS 60 -28.479 -4.065 -9.587 485 HE2 HIS 60 HE2 HIS 60 -29.218 -5.940 -8.067 Start of MODEL 18 1 1H MET 1 1H MET 1 17.479 -9.037 14.744 2 2H MET 1 2H MET 1 19.057 -8.574 15.157 3 3H MET 1 3H MET 1 18.648 -10.219 15.096 4 HA MET 1 HA MET 1 19.902 -9.682 13.165 5 1HB MET 1 2HB MET 1 16.945 -9.996 12.611 6 2HB MET 1 1HB MET 1 18.191 -10.180 11.386 7 1HG MET 1 2HG MET 1 19.164 -12.024 12.690 8 2HG MET 1 1HG MET 1 17.848 -11.863 13.854 9 1HE MET 1 1HE MET 1 18.630 -14.583 12.275 10 2HE MET 1 2HE MET 1 17.011 -15.196 11.941 11 3HE MET 1 3HE MET 1 17.370 -14.463 13.505 12 H LYS 2 H LYS 2 20.339 -8.369 11.401 13 HA LYS 2 HA LYS 2 19.322 -5.647 11.725 14 1HB LYS 2 2HB LYS 2 21.680 -6.672 10.129 15 2HB LYS 2 1HB LYS 2 21.263 -4.979 10.373 16 1HG LYS 2 2HG LYS 2 21.664 -5.189 12.753 17 2HG LYS 2 1HG LYS 2 21.989 -6.914 12.566 18 1HD LYS 2 2HD LYS 2 23.892 -6.345 11.084 19 2HD LYS 2 1HD LYS 2 23.594 -4.636 11.410 20 1HE LYS 2 2HE LYS 2 24.265 -6.729 13.478 21 2HE LYS 2 1HE LYS 2 25.397 -5.557 12.809 22 1HZ LYS 2 1HZ LYS 2 23.003 -4.975 14.469 23 2HZ LYS 2 2HZ LYS 2 23.934 -3.785 13.701 24 3HZ LYS 2 3HZ LYS 2 24.628 -4.760 14.902 25 H ARG 3 H ARG 3 18.366 -8.215 10.039 26 HA ARG 3 HA ARG 3 17.942 -7.006 7.447 27 1HB ARG 3 2HB ARG 3 16.565 -9.457 8.538 28 2HB ARG 3 1HB ARG 3 16.786 -9.011 6.856 29 1HG ARG 3 2HG ARG 3 19.243 -9.318 7.182 30 2HG ARG 3 1HG ARG 3 18.885 -9.960 8.788 31 1HD ARG 3 2HD ARG 3 18.215 -11.106 6.097 32 2HD ARG 3 1HD ARG 3 19.037 -11.871 7.457 33 HE ARG 3 HE ARG 3 16.219 -11.134 7.764 34 1HH1 ARG 3 1HH1 ARG 3 18.632 -13.654 7.435 35 2HH1 ARG 3 2HH1 ARG 3 17.537 -14.928 7.887 36 1HH2 ARG 3 1HH2 ARG 3 14.783 -12.811 8.329 37 2HH2 ARG 3 2HH2 ARG 3 15.355 -14.455 8.359 38 H GLN 4 H GLN 4 16.867 -5.785 9.974 39 HA GLN 4 HA GLN 4 14.034 -6.202 9.994 40 1HB GLN 4 2HB GLN 4 15.745 -5.347 11.859 41 2HB GLN 4 1HB GLN 4 15.240 -3.781 11.239 42 1HG GLN 4 2HG GLN 4 13.850 -4.275 13.079 43 2HG GLN 4 1HG GLN 4 12.870 -4.504 11.630 44 1HE2 GLN 4 1HE2 GLN 4 12.272 -6.596 11.029 45 2HE2 GLN 4 2HE2 GLN 4 12.373 -7.928 12.121 46 H LYS 5 H LYS 5 15.952 -4.653 7.845 47 HA LYS 5 HA LYS 5 14.644 -2.209 7.363 48 1HB LYS 5 2HB LYS 5 16.105 -4.019 5.430 49 2HB LYS 5 1HB LYS 5 15.680 -2.341 5.129 50 1HG LYS 5 2HG LYS 5 17.526 -3.298 7.309 51 2HG LYS 5 1HG LYS 5 18.032 -2.614 5.764 52 1HD LYS 5 2HD LYS 5 16.355 -1.190 7.827 53 2HD LYS 5 1HD LYS 5 18.089 -0.969 7.599 54 1HE LYS 5 2HE LYS 5 15.958 -0.409 5.540 55 2HE LYS 5 1HE LYS 5 16.792 0.803 6.509 56 1HZ LYS 5 1HZ LYS 5 17.944 -0.942 4.407 57 2HZ LYS 5 2HZ LYS 5 18.901 -0.056 5.488 58 3HZ LYS 5 3HZ LYS 5 17.856 0.752 4.425 59 H ARG 6 H ARG 6 14.111 -5.467 6.101 60 HA ARG 6 HA ARG 6 12.038 -4.612 4.316 61 1HB ARG 6 2HB ARG 6 13.539 -6.620 3.965 62 2HB ARG 6 1HB ARG 6 12.604 -7.437 5.212 63 1HG ARG 6 2HG ARG 6 10.600 -7.269 3.892 64 2HG ARG 6 1HG ARG 6 11.439 -6.310 2.672 65 1HD ARG 6 2HD ARG 6 11.921 -9.197 3.390 66 2HD ARG 6 1HD ARG 6 11.262 -8.564 1.882 67 HE ARG 6 HE ARG 6 14.050 -8.603 2.712 68 1HH1 ARG 6 1HH1 ARG 6 11.658 -7.434 0.406 69 2HH1 ARG 6 2HH1 ARG 6 12.841 -7.070 -0.820 70 1HH2 ARG 6 1HH2 ARG 6 15.583 -8.132 1.098 71 2HH2 ARG 6 2HH2 ARG 6 15.076 -7.457 -0.419 72 H ASP 7 H ASP 7 12.217 -5.579 7.608 73 HA ASP 7 HA ASP 7 9.626 -6.458 8.150 74 1HB ASP 7 2HB ASP 7 11.370 -6.481 9.844 75 2HB ASP 7 1HB ASP 7 11.473 -4.733 9.815 76 H ARG 8 H ARG 8 10.980 -3.235 8.120 77 HA ARG 8 HA ARG 8 8.713 -1.794 8.866 78 1HB ARG 8 2HB ARG 8 11.053 -0.987 8.883 79 2HB ARG 8 1HB ARG 8 11.030 -0.942 7.127 80 1HG ARG 8 2HG ARG 8 10.690 1.274 7.908 81 2HG ARG 8 1HG ARG 8 9.150 0.695 7.268 82 1HD ARG 8 2HD ARG 8 8.488 0.102 9.600 83 2HD ARG 8 1HD ARG 8 9.976 0.856 10.166 84 HE ARG 8 HE ARG 8 7.563 2.165 9.376 85 1HH1 ARG 8 1HH1 ARG 8 11.038 2.543 9.555 86 2HH1 ARG 8 2HH1 ARG 8 10.982 4.270 9.667 87 1HH2 ARG 8 1HH2 ARG 8 7.478 4.458 9.557 88 2HH2 ARG 8 2HH2 ARG 8 8.960 5.358 9.687 89 H LEU 9 H LEU 9 9.819 -2.948 5.749 90 HA LEU 9 HA LEU 9 7.843 -1.374 4.334 91 1HB LEU 9 2HB LEU 9 10.051 -3.205 3.463 92 2HB LEU 9 1HB LEU 9 8.881 -2.550 2.330 93 HG LEU 9 HG LEU 9 10.488 -0.753 4.126 94 1HD1 LEU 9 1HD1 LEU 9 12.058 -0.451 2.295 95 2HD1 LEU 9 2HD1 LEU 9 11.234 -1.705 1.368 96 3HD1 LEU 9 3HD1 LEU 9 12.068 -2.120 2.866 97 1HD2 LEU 9 1HD2 LEU 9 10.002 0.887 2.381 98 2HD2 LEU 9 2HD2 LEU 9 8.524 0.204 3.061 99 3HD2 LEU 9 3HD2 LEU 9 9.100 -0.338 1.486 100 H GLU 10 H GLU 10 8.346 -4.729 5.269 101 HA GLU 10 HA GLU 10 6.217 -5.767 3.688 102 1HB GLU 10 2HB GLU 10 8.016 -7.172 4.673 103 2HB GLU 10 1HB GLU 10 7.358 -6.853 6.271 104 1HG GLU 10 2HG GLU 10 5.327 -8.017 5.723 105 2HG GLU 10 1HG GLU 10 5.854 -8.222 4.052 106 H ARG 11 H ARG 11 6.449 -4.149 6.721 107 HA ARG 11 HA ARG 11 3.719 -4.618 7.506 108 1HB ARG 11 2HB ARG 11 5.438 -4.184 9.200 109 2HB ARG 11 1HB ARG 11 5.759 -2.609 8.489 110 1HG ARG 11 2HG ARG 11 3.565 -1.829 9.116 111 2HG ARG 11 1HG ARG 11 3.135 -3.431 9.720 112 1HD ARG 11 2HD ARG 11 5.396 -1.749 10.793 113 2HD ARG 11 1HD ARG 11 3.785 -1.825 11.505 114 HE ARG 11 HE ARG 11 4.182 -4.112 12.072 115 1HH1 ARG 11 1HH1 ARG 11 6.989 -2.411 10.854 116 2HH1 ARG 11 2HH1 ARG 11 8.134 -3.548 11.503 117 1HH2 ARG 11 1HH2 ARG 11 5.673 -5.592 12.961 118 2HH2 ARG 11 2HH2 ARG 11 7.374 -5.360 12.712 119 H ALA 12 H ALA 12 5.619 -2.138 5.905 120 HA ALA 12 HA ALA 12 3.617 -0.223 5.498 121 1HB ALA 12 1HB ALA 12 6.025 0.157 5.060 122 2HB ALA 12 2HB ALA 12 4.997 0.627 3.705 123 3HB ALA 12 3HB ALA 12 5.902 -0.886 3.638 124 H GLN 13 H GLN 13 4.303 -3.261 3.930 125 HA GLN 13 HA GLN 13 2.709 -2.801 1.621 126 1HB GLN 13 2HB GLN 13 4.432 -4.548 1.698 127 2HB GLN 13 1HB GLN 13 3.501 -5.417 2.912 128 1HG GLN 13 2HG GLN 13 1.825 -5.985 1.386 129 2HG GLN 13 1HG GLN 13 2.356 -4.777 0.219 130 1HE2 GLN 13 1HE2 GLN 13 4.145 -5.197 -1.065 131 2HE2 GLN 13 2HE2 GLN 13 4.789 -6.794 -1.265 132 H SER 14 H SER 14 2.063 -4.445 4.702 133 HA SER 14 HA SER 14 -0.674 -4.954 4.139 134 1HB SER 14 2HB SER 14 0.691 -6.128 5.897 135 2HB SER 14 1HB SER 14 0.627 -4.656 6.861 136 HG SER 14 HG SER 14 -1.696 -5.996 5.923 137 H GLN 15 H GLN 15 1.092 -2.330 5.683 138 HA GLN 15 HA GLN 15 -1.057 -0.762 6.541 139 1HB GLN 15 2HB GLN 15 1.224 -0.289 7.216 140 2HB GLN 15 1HB GLN 15 1.686 0.049 5.557 141 1HG GLN 15 2HG GLN 15 1.470 2.125 6.663 142 2HG GLN 15 1HG GLN 15 0.081 1.965 5.590 143 1HE2 GLN 15 1HE2 GLN 15 0.475 3.590 7.987 144 2HE2 GLN 15 2HE2 GLN 15 -0.818 3.172 9.063 145 H GLY 16 H GLY 16 0.613 -0.869 3.419 146 1HA GLY 16 2HA GLY 16 -0.812 1.240 2.199 147 2HA GLY 16 1HA GLY 16 0.052 -0.042 1.361 148 H TYR 17 H TYR 17 -1.436 -2.230 2.395 149 HA TYR 17 HA TYR 17 -3.590 -2.391 0.631 150 1HB TYR 17 2HB TYR 17 -2.424 -4.317 1.773 151 2HB TYR 17 1HB TYR 17 -3.320 -3.915 3.232 152 HD1 TYR 17 HD2 TYR 17 -5.808 -4.181 3.263 153 HD2 TYR 17 HD1 TYR 17 -3.436 -5.512 -0.015 154 HE1 TYR 17 HE2 TYR 17 -7.663 -5.602 2.505 155 HE2 TYR 17 HE1 TYR 17 -5.287 -6.936 -0.780 156 HH TYR 17 HH TYR 17 -8.440 -6.651 0.382 157 H LYS 18 H LYS 18 -3.571 -1.800 4.135 158 HA LYS 18 HA LYS 18 -6.367 -1.259 4.287 159 1HB LYS 18 2HB LYS 18 -4.879 -2.001 6.191 160 2HB LYS 18 1HB LYS 18 -4.240 -0.370 6.234 161 1HG LYS 18 2HG LYS 18 -5.954 -0.722 7.929 162 2HG LYS 18 1HG LYS 18 -6.448 0.499 6.752 163 1HD LYS 18 2HD LYS 18 -7.973 -0.950 5.724 164 2HD LYS 18 1HD LYS 18 -7.240 -2.382 6.449 165 1HE LYS 18 2HE LYS 18 -8.636 -0.229 8.034 166 2HE LYS 18 1HE LYS 18 -9.440 -1.683 7.441 167 1HZ LYS 18 1HZ LYS 18 -7.064 -1.693 9.230 168 2HZ LYS 18 2HZ LYS 18 -7.980 -3.038 8.748 169 3HZ LYS 18 3HZ LYS 18 -8.662 -1.866 9.759 170 H ALA 19 H ALA 19 -3.543 0.629 3.558 171 HA ALA 19 HA ALA 19 -4.666 3.192 3.985 172 1HB ALA 19 1HB ALA 19 -2.826 4.044 2.640 173 2HB ALA 19 2HB ALA 19 -2.453 2.409 2.093 174 3HB ALA 19 3HB ALA 19 -2.251 2.840 3.792 175 H GLY 20 H GLY 20 -5.050 0.835 1.519 176 1HA GLY 20 2HA GLY 20 -6.119 2.502 -0.500 177 2HA GLY 20 1HA GLY 20 -6.456 0.795 -0.276 178 H LEU 21 H LEU 21 -7.467 1.056 2.391 179 HA LEU 21 HA LEU 21 -10.141 2.012 1.738 180 1HB LEU 21 2HB LEU 21 -9.214 0.633 4.266 181 2HB LEU 21 1HB LEU 21 -10.868 0.893 3.767 182 HG LEU 21 HG LEU 21 -10.566 -1.348 3.328 183 1HD1 LEU 21 1HD1 LEU 21 -9.801 0.003 0.754 184 2HD1 LEU 21 2HD1 LEU 21 -11.436 -0.302 1.343 185 3HD1 LEU 21 3HD1 LEU 21 -10.389 -1.653 0.908 186 1HD2 LEU 21 1HD2 LEU 21 -8.194 -1.449 3.826 187 2HD2 LEU 21 2HD2 LEU 21 -7.822 -0.754 2.249 188 3HD2 LEU 21 3HD2 LEU 21 -8.572 -2.347 2.355 189 H ASN 22 H ASN 22 -7.564 2.541 4.078 190 HA ASN 22 HA ASN 22 -9.125 4.615 5.423 191 1HB ASN 22 2HB ASN 22 -6.763 2.935 6.154 192 2HB ASN 22 1HB ASN 22 -7.027 4.464 6.986 193 1HD2 ASN 22 1HD2 ASN 22 -9.624 2.458 5.815 194 2HD2 ASN 22 2HD2 ASN 22 -10.207 1.954 7.363 195 H GLY 23 H GLY 23 -6.101 4.214 3.617 196 1HA GLY 23 2HA GLY 23 -5.085 6.775 4.553 197 2HA GLY 23 1HA GLY 23 -4.264 5.653 3.478 198 H ARG 24 H ARG 24 -7.026 5.717 2.038 199 HA ARG 24 HA ARG 24 -7.999 6.737 0.274 200 1HB ARG 24 2HB ARG 24 -8.191 8.686 1.761 201 2HB ARG 24 1HB ARG 24 -6.594 9.214 1.258 202 1HG ARG 24 2HG ARG 24 -7.509 9.297 -1.098 203 2HG ARG 24 1HG ARG 24 -9.104 9.083 -0.381 204 1HD ARG 24 2HD ARG 24 -7.179 11.352 0.068 205 2HD ARG 24 1HD ARG 24 -8.747 11.421 -0.734 206 HE ARG 24 HE ARG 24 -8.321 11.023 2.158 207 1HH1 ARG 24 1HH1 ARG 24 -10.377 11.910 -0.534 208 2HH1 ARG 24 2HH1 ARG 24 -11.630 12.555 0.480 209 1HH2 ARG 24 1HH2 ARG 24 -9.943 11.885 3.482 210 2HH2 ARG 24 2HH2 ARG 24 -11.385 12.555 2.769 211 H SER 25 H SER 25 -4.917 8.527 0.367 212 HA SER 25 HA SER 25 -4.550 7.773 -2.464 213 1HB SER 25 2HB SER 25 -3.553 10.266 -1.080 214 2HB SER 25 1HB SER 25 -3.521 9.935 -2.807 215 HG SER 25 HG SER 25 -5.611 10.743 -1.178 216 H GLN 26 H GLN 26 -2.170 8.198 -3.162 217 HA GLN 26 HA GLN 26 -0.468 6.461 -1.624 218 1HB GLN 26 2HB GLN 26 0.355 8.229 -3.916 219 2HB GLN 26 1HB GLN 26 1.130 6.756 -3.366 220 1HG GLN 26 2HG GLN 26 -0.750 5.444 -4.138 221 2HG GLN 26 1HG GLN 26 -1.595 6.912 -4.624 222 1HE2 GLN 26 1HE2 GLN 26 1.839 6.557 -5.033 223 2HE2 GLN 26 2HE2 GLN 26 1.828 6.409 -6.754 224 H GLU 27 H GLU 27 -1.072 9.802 -1.829 225 HA GLU 27 HA GLU 27 1.344 10.932 -0.999 226 1HB GLU 27 2HB GLU 27 -0.919 11.963 -1.833 227 2HB GLU 27 1HB GLU 27 -1.329 11.990 -0.127 228 1HG GLU 27 2HG GLU 27 1.127 13.296 -1.259 229 2HG GLU 27 1HG GLU 27 -0.420 14.115 -1.090 230 H ALA 28 H ALA 28 -0.959 9.026 0.661 231 HA ALA 28 HA ALA 28 -0.315 10.005 3.310 232 1HB ALA 28 1HB ALA 28 -2.599 9.342 2.776 233 2HB ALA 28 2HB ALA 28 -1.935 8.345 4.070 234 3HB ALA 28 3HB ALA 28 -2.049 7.701 2.432 235 H CYS 29 H CYS 29 1.804 8.757 1.669 236 HA CYS 29 HA CYS 29 2.411 6.386 3.301 237 1HB CYS 29 2HB CYS 29 2.395 5.986 0.880 238 2HB CYS 29 1HB CYS 29 3.584 7.261 0.653 239 HG CYS 29 HG CYS 29 4.092 4.101 1.177 240 HA PRO 30 HA PRO 30 5.520 9.304 4.913 241 1HB PRO 30 2HB PRO 30 5.092 8.894 7.501 242 2HB PRO 30 1HB PRO 30 3.943 9.838 6.546 243 1HG PRO 30 2HG PRO 30 3.743 7.022 7.508 244 2HG PRO 30 1HG PRO 30 2.474 8.249 7.361 245 1HD PRO 30 2HD PRO 30 3.020 6.195 5.519 246 2HD PRO 30 1HD PRO 30 1.999 7.617 5.235 247 H TYR 31 H TYR 31 6.558 7.101 3.783 248 HA TYR 31 HA TYR 31 8.112 5.857 5.945 249 1HB TYR 31 2HB TYR 31 6.807 4.404 3.639 250 2HB TYR 31 1HB TYR 31 8.039 3.689 4.676 251 HD1 TYR 31 HD1 TYR 31 7.554 3.545 7.165 252 HD2 TYR 31 HD2 TYR 31 4.546 4.360 4.278 253 HE1 TYR 31 HE1 TYR 31 5.832 2.883 8.786 254 HE2 TYR 31 HE2 TYR 31 2.811 3.695 5.887 255 HH TYR 31 HH TYR 31 3.398 3.380 9.177 256 H GLN 32 H GLN 32 8.022 5.624 2.392 257 HA GLN 32 HA GLN 32 10.693 6.692 2.134 258 1HB GLN 32 2HB GLN 32 11.067 4.337 2.901 259 2HB GLN 32 1HB GLN 32 10.153 3.767 1.519 260 1HG GLN 32 2HG GLN 32 12.567 3.549 1.207 261 2HG GLN 32 1HG GLN 32 11.824 4.603 0.006 262 1HE2 GLN 32 1HE2 GLN 32 13.930 4.426 2.746 263 2HE2 GLN 32 2HE2 GLN 32 14.609 6.006 2.581 264 H GLN 33 H GLN 33 11.342 6.279 -0.368 265 HA GLN 33 HA GLN 33 8.935 6.857 -1.904 266 1HB GLN 33 2HB GLN 33 11.852 7.245 -2.497 267 2HB GLN 33 1HB GLN 33 10.575 7.552 -3.652 268 1HG GLN 33 2HG GLN 33 9.636 9.263 -2.204 269 2HG GLN 33 1HG GLN 33 10.879 8.931 -0.999 270 1HE2 GLN 33 1HE2 GLN 33 10.255 11.407 -2.440 271 2HE2 GLN 33 2HE2 GLN 33 11.721 11.864 -3.241 272 H VAL 34 H VAL 34 11.963 5.257 -2.868 273 HA VAL 34 HA VAL 34 10.633 3.770 -4.890 274 HB VAL 34 HB VAL 34 13.396 3.297 -3.761 275 1HG1 VAL 34 1HG1 VAL 34 13.856 2.312 -5.978 276 2HG1 VAL 34 2HG1 VAL 34 12.155 2.506 -6.395 277 3HG1 VAL 34 3HG1 VAL 34 12.624 1.424 -5.085 278 1HG2 VAL 34 1HG2 VAL 34 13.162 5.600 -4.495 279 2HG2 VAL 34 2HG2 VAL 34 12.521 5.059 -6.046 280 3HG2 VAL 34 3HG2 VAL 34 14.192 4.702 -5.611 281 H ASP 35 H ASP 35 12.100 2.835 -1.806 282 HA ASP 35 HA ASP 35 11.526 0.077 -2.006 283 1HB ASP 35 2HB ASP 35 11.857 1.718 0.520 284 2HB ASP 35 1HB ASP 35 12.047 -0.026 0.374 285 H ALA 36 H ALA 36 9.836 2.795 -0.608 286 HA ALA 36 HA ALA 36 7.739 1.301 0.576 287 1HB ALA 36 1HB ALA 36 8.324 3.496 1.386 288 2HB ALA 36 2HB ALA 36 6.651 3.496 0.823 289 3HB ALA 36 3HB ALA 36 7.920 4.215 -0.177 290 H ARG 37 H ARG 37 8.191 2.850 -2.558 291 HA ARG 37 HA ARG 37 5.595 2.677 -3.535 292 1HB ARG 37 2HB ARG 37 7.550 3.785 -4.661 293 2HB ARG 37 1HB ARG 37 8.138 2.192 -5.105 294 1HG ARG 37 2HG ARG 37 6.263 1.817 -6.528 295 2HG ARG 37 1HG ARG 37 5.464 3.279 -5.950 296 1HD ARG 37 2HD ARG 37 7.406 4.584 -6.832 297 2HD ARG 37 1HD ARG 37 7.997 3.094 -7.561 298 HE ARG 37 HE ARG 37 5.896 3.077 -8.875 299 1HH1 ARG 37 1HH1 ARG 37 6.848 6.066 -7.346 300 2HH1 ARG 37 2HH1 ARG 37 6.210 7.081 -8.605 301 1HH2 ARG 37 1HH2 ARG 37 5.040 4.391 -10.553 302 2HH2 ARG 37 2HH2 ARG 37 5.209 6.121 -10.453 303 H SER 38 H SER 38 8.194 0.273 -3.562 304 HA SER 38 HA SER 38 6.798 -1.616 -5.135 305 1HB SER 38 2HB SER 38 9.128 -2.082 -3.258 306 2HB SER 38 1HB SER 38 8.637 -3.110 -4.606 307 HG SER 38 HG SER 38 9.824 -0.548 -4.663 308 H TYR 39 H TYR 39 7.174 -1.147 -1.651 309 HA TYR 39 HA TYR 39 5.684 -3.584 -1.176 310 1HB TYR 39 2HB TYR 39 7.449 -1.891 0.479 311 2HB TYR 39 1HB TYR 39 6.162 -2.757 1.312 312 HD1 TYR 39 HD2 TYR 39 6.083 -5.207 1.271 313 HD2 TYR 39 HD1 TYR 39 9.340 -3.075 -0.447 314 HE1 TYR 39 HE2 TYR 39 7.409 -7.274 1.248 315 HE2 TYR 39 HE1 TYR 39 10.678 -5.141 -0.481 316 HH TYR 39 HH TYR 39 9.330 -8.212 -0.007 317 H TRP 40 H TRP 40 5.451 -0.201 -0.108 318 HA TRP 40 HA TRP 40 2.984 -0.537 1.216 319 1HB TRP 40 2HB TRP 40 4.604 1.316 1.641 320 2HB TRP 40 1HB TRP 40 4.165 2.017 0.090 321 HD1 TRP 40 HD1 TRP 40 2.858 1.548 3.651 322 HE1 TRP 40 HE1 TRP 40 0.869 3.138 4.013 323 HE3 TRP 40 HE3 TRP 40 2.252 3.222 -1.151 324 HZ2 TRP 40 HZ2 TRP 40 -0.734 4.874 2.481 325 HZ3 TRP 40 HZ3 TRP 40 0.466 4.848 -1.610 326 HH2 TRP 40 HH2 TRP 40 -0.996 5.654 0.167 327 H LEU 41 H LEU 41 3.795 0.598 -2.076 328 HA LEU 41 HA LEU 41 1.019 1.129 -2.658 329 1HB LEU 41 2HB LEU 41 3.567 1.302 -4.193 330 2HB LEU 41 1HB LEU 41 2.051 1.242 -5.078 331 HG LEU 41 HG LEU 41 2.707 3.273 -2.948 332 1HD1 LEU 41 1HD1 LEU 41 2.835 4.841 -4.873 333 2HD1 LEU 41 2HD1 LEU 41 2.803 3.445 -5.954 334 3HD1 LEU 41 3HD1 LEU 41 4.137 3.656 -4.819 335 1HD2 LEU 41 1HD2 LEU 41 0.326 2.769 -3.194 336 2HD2 LEU 41 2HD2 LEU 41 0.436 3.095 -4.922 337 3HD2 LEU 41 3HD2 LEU 41 0.710 4.395 -3.760 338 H GLY 42 H GLY 42 3.077 -1.567 -2.743 339 1HA GLY 42 2HA GLY 42 1.856 -3.078 -4.773 340 2HA GLY 42 1HA GLY 42 2.710 -3.738 -3.383 341 H GLY 43 H GLY 43 1.196 -2.894 -1.290 342 1HA GLY 43 2HA GLY 43 -1.094 -4.607 -1.446 343 2HA GLY 43 1HA GLY 43 -0.639 -3.596 -0.080 344 H TRP 44 H TRP 44 -0.559 -1.140 -1.577 345 HA TRP 44 HA TRP 44 -3.219 -0.288 -1.278 346 1HB TRP 44 2HB TRP 44 -1.177 1.168 -1.163 347 2HB TRP 44 1HB TRP 44 -1.054 1.052 -2.916 348 HD1 TRP 44 HD1 TRP 44 -3.266 2.573 -0.168 349 HE1 TRP 44 HE1 TRP 44 -4.647 4.490 -1.192 350 HE3 TRP 44 HE3 TRP 44 -2.008 1.944 -5.085 351 HZ2 TRP 44 HZ2 TRP 44 -5.129 5.592 -3.746 352 HZ3 TRP 44 HZ3 TRP 44 -2.969 3.473 -6.755 353 HH2 TRP 44 HH2 TRP 44 -4.499 5.258 -6.099 354 H ARG 45 H ARG 45 -1.323 -0.963 -4.224 355 HA ARG 45 HA ARG 45 -3.510 -0.414 -5.962 356 1HB ARG 45 2HB ARG 45 -0.942 -1.905 -6.500 357 2HB ARG 45 1HB ARG 45 -2.106 -1.441 -7.731 358 1HG ARG 45 2HG ARG 45 -1.742 0.956 -6.834 359 2HG ARG 45 1HG ARG 45 -0.273 0.281 -6.123 360 1HD ARG 45 2HD ARG 45 0.301 1.196 -8.253 361 2HD ARG 45 1HD ARG 45 0.345 -0.561 -8.391 362 HE ARG 45 HE ARG 45 -2.074 0.881 -9.217 363 1HH1 ARG 45 1HH1 ARG 45 0.746 -1.017 -10.063 364 2HH1 ARG 45 2HH1 ARG 45 0.164 -1.404 -11.653 365 1HH2 ARG 45 1HH2 ARG 45 -2.800 0.450 -11.342 366 2HH2 ARG 45 2HH2 ARG 45 -1.837 -0.550 -12.392 367 H ASP 46 H ASP 46 -2.353 -3.289 -4.339 368 HA ASP 46 HA ASP 46 -3.848 -5.172 -5.829 369 1HB ASP 46 2HB ASP 46 -2.056 -5.876 -4.308 370 2HB ASP 46 1HB ASP 46 -2.989 -5.299 -2.930 371 H ALA 47 H ALA 47 -4.554 -3.450 -2.806 372 HA ALA 47 HA ALA 47 -7.157 -4.406 -2.426 373 1HB ALA 47 1HB ALA 47 -7.492 -2.443 -1.009 374 2HB ALA 47 2HB ALA 47 -6.038 -1.703 -1.676 375 3HB ALA 47 3HB ALA 47 -5.915 -3.173 -0.709 376 H ARG 48 H ARG 48 -5.941 -1.637 -4.259 377 HA ARG 48 HA ARG 48 -8.399 -0.617 -5.123 378 1HB ARG 48 2HB ARG 48 -5.621 -0.518 -6.233 379 2HB ARG 48 1HB ARG 48 -6.960 0.094 -7.191 380 1HG ARG 48 2HG ARG 48 -6.162 1.036 -4.446 381 2HG ARG 48 1HG ARG 48 -5.889 1.888 -5.969 382 1HD ARG 48 2HD ARG 48 -8.376 1.884 -6.304 383 2HD ARG 48 1HD ARG 48 -8.534 1.255 -4.665 384 HE ARG 48 HE ARG 48 -7.642 3.942 -5.438 385 1HH1 ARG 48 1HH1 ARG 48 -8.440 1.639 -2.931 386 2HH1 ARG 48 2HH1 ARG 48 -8.546 2.830 -1.677 387 1HH2 ARG 48 1HH2 ARG 48 -7.807 5.530 -3.809 388 2HH2 ARG 48 2HH2 ARG 48 -8.162 5.053 -2.176 389 H ASP 49 H ASP 49 -6.191 -2.784 -6.902 390 HA ASP 49 HA ASP 49 -7.881 -3.196 -9.094 391 1HB ASP 49 2HB ASP 49 -5.536 -4.691 -7.985 392 2HB ASP 49 1HB ASP 49 -6.462 -5.392 -9.306 393 H GLU 50 H GLU 50 -8.127 -4.480 -5.948 394 HA GLU 50 HA GLU 50 -9.407 -6.953 -6.787 395 1HB GLU 50 2HB GLU 50 -7.889 -6.893 -4.788 396 2HB GLU 50 1HB GLU 50 -9.073 -5.873 -3.981 397 1HG GLU 50 2HG GLU 50 -10.742 -7.743 -4.434 398 2HG GLU 50 1HG GLU 50 -9.338 -8.737 -4.813 399 H LYS 51 H LYS 51 -10.164 -3.817 -5.499 400 HA LYS 51 HA LYS 51 -12.983 -4.483 -5.182 401 1HB LYS 51 2HB LYS 51 -11.903 -2.903 -3.597 402 2HB LYS 51 1HB LYS 51 -11.553 -1.818 -4.934 403 1HG LYS 51 2HG LYS 51 -13.931 -1.489 -5.317 404 2HG LYS 51 1HG LYS 51 -14.310 -2.618 -4.014 405 1HD LYS 51 2HD LYS 51 -13.202 -1.140 -2.410 406 2HD LYS 51 1HD LYS 51 -12.803 -0.019 -3.714 407 1HE LYS 51 2HE LYS 51 -15.169 0.363 -4.135 408 2HE LYS 51 1HE LYS 51 -15.596 -0.805 -2.886 409 1HZ LYS 51 1HZ LYS 51 -14.121 1.735 -2.436 410 2HZ LYS 51 2HZ LYS 51 -14.560 0.618 -1.239 411 3HZ LYS 51 3HZ LYS 51 -15.757 1.471 -2.083 412 H GLN 52 H GLN 52 -10.718 -3.300 -7.378 413 HA GLN 52 HA GLN 52 -12.581 -1.961 -9.129 414 1HB GLN 52 2HB GLN 52 -9.668 -2.498 -9.049 415 2HB GLN 52 1HB GLN 52 -10.383 -2.160 -10.630 416 1HG GLN 52 2HG GLN 52 -10.524 -0.400 -8.187 417 2HG GLN 52 1HG GLN 52 -9.515 -0.131 -9.608 418 1HE2 GLN 52 1HE2 GLN 52 -11.628 1.524 -8.413 419 2HE2 GLN 52 2HE2 GLN 52 -12.769 1.806 -9.683 420 H SER 53 H SER 53 -11.452 -5.175 -8.702 421 HA SER 53 HA SER 53 -11.926 -6.135 -11.328 422 1HB SER 53 2HB SER 53 -11.936 -7.567 -8.665 423 2HB SER 53 1HB SER 53 -12.038 -8.382 -10.224 424 HG SER 53 HG SER 53 -9.926 -6.613 -9.528 425 H GLY 54 H GLY 54 -14.071 -4.868 -9.120 426 1HA GLY 54 2HA GLY 54 -16.296 -6.574 -10.003 427 2HA GLY 54 1HA GLY 54 -16.344 -5.436 -8.664 428 H LEU 55 H LEU 55 -14.783 -3.810 -11.039 429 HA LEU 55 HA LEU 55 -17.231 -2.341 -11.636 430 1HB LEU 55 2HB LEU 55 -14.325 -1.668 -11.838 431 2HB LEU 55 1HB LEU 55 -15.509 -0.742 -12.738 432 HG LEU 55 HG LEU 55 -14.984 0.425 -10.704 433 1HD1 LEU 55 1HD1 LEU 55 -17.293 0.550 -11.452 434 2HD1 LEU 55 2HD1 LEU 55 -17.204 0.606 -9.692 435 3HD1 LEU 55 3HD1 LEU 55 -17.693 -0.882 -10.504 436 1HD2 LEU 55 1HD2 LEU 55 -15.797 -2.089 -9.258 437 2HD2 LEU 55 2HD2 LEU 55 -15.413 -0.544 -8.498 438 3HD2 LEU 55 3HD2 LEU 55 -14.165 -1.431 -9.372 439 H TYR 56 H TYR 56 -16.504 -4.909 -13.024 440 HA TYR 56 HA TYR 56 -16.004 -4.129 -15.739 441 1HB TYR 56 2HB TYR 56 -16.581 -6.516 -16.244 442 2HB TYR 56 1HB TYR 56 -15.267 -6.315 -15.097 443 HD1 TYR 56 HD2 TYR 56 -18.824 -7.282 -15.450 444 HD2 TYR 56 HD1 TYR 56 -15.448 -7.138 -12.873 445 HE1 TYR 56 HE2 TYR 56 -19.963 -8.788 -13.876 446 HE2 TYR 56 HE1 TYR 56 -16.578 -8.645 -11.294 447 HH TYR 56 HH TYR 56 -18.795 -9.371 -10.697 448 H LYS 57 H LYS 57 -18.208 -2.859 -14.364 449 HA LYS 57 HA LYS 57 -20.689 -3.948 -15.329 450 1HB LYS 57 2HB LYS 57 -20.452 -2.616 -13.228 451 2HB LYS 57 1HB LYS 57 -20.081 -1.203 -14.200 452 1HG LYS 57 2HG LYS 57 -22.346 -1.497 -15.270 453 2HG LYS 57 1HG LYS 57 -22.686 -2.689 -14.014 454 1HD LYS 57 2HD LYS 57 -21.837 0.157 -13.479 455 2HD LYS 57 1HD LYS 57 -23.513 -0.390 -13.496 456 1HE LYS 57 2HE LYS 57 -21.451 -1.668 -11.727 457 2HE LYS 57 1HE LYS 57 -22.325 -0.219 -11.230 458 1HZ LYS 57 1HZ LYS 57 -23.518 -2.853 -11.928 459 2HZ LYS 57 2HZ LYS 57 -24.407 -1.451 -11.591 460 3HZ LYS 57 3HZ LYS 57 -23.438 -2.148 -10.386 461 H LEU 58 H LEU 58 -18.234 -2.561 -16.910 462 HA LEU 58 HA LEU 58 -19.419 -0.509 -18.429 463 1HB LEU 58 2HB LEU 58 -17.047 -2.255 -19.074 464 2HB LEU 58 1HB LEU 58 -17.461 -0.760 -19.885 465 HG LEU 58 HG LEU 58 -16.671 -1.005 -16.983 466 1HD1 LEU 58 1HD1 LEU 58 -14.628 0.156 -17.679 467 2HD1 LEU 58 2HD1 LEU 58 -15.157 0.072 -19.359 468 3HD1 LEU 58 3HD1 LEU 58 -14.791 -1.409 -18.475 469 1HD2 LEU 58 1HD2 LEU 58 -17.251 1.419 -18.683 470 2HD2 LEU 58 2HD2 LEU 58 -16.601 1.450 -17.042 471 3HD2 LEU 58 3HD2 LEU 58 -18.226 0.827 -17.336 472 H GLU 59 H GLU 59 -18.383 -3.719 -19.579 473 HA GLU 59 HA GLU 59 -20.403 -3.464 -21.688 474 1HB GLU 59 2HB GLU 59 -18.908 -5.536 -22.539 475 2HB GLU 59 1HB GLU 59 -18.577 -3.857 -22.934 476 1HG GLU 59 2HG GLU 59 -16.539 -4.893 -22.289 477 2HG GLU 59 1HG GLU 59 -17.011 -3.771 -21.017 478 H HIS 60 H HIS 60 -19.361 -5.555 -19.084 479 HA HIS 60 HA HIS 60 -21.750 -7.201 -19.601 480 1HB HIS 60 2HB HIS 60 -19.109 -7.913 -18.351 481 2HB HIS 60 1HB HIS 60 -20.556 -8.864 -18.024 482 HD1 HIS 60 HD1 HIS 60 -18.074 -8.071 -20.723 483 HD2 HIS 60 HD2 HIS 60 -21.467 -10.425 -20.163 484 HE1 HIS 60 HE1 HIS 60 -18.154 -9.641 -22.689 485 HE2 HIS 60 HE2 HIS 60 -20.148 -11.125 -22.279 Start of MODEL 19 1 1H MET 1 1H MET 1 24.973 -1.479 8.680 2 2H MET 1 2H MET 1 23.310 -1.808 8.601 3 3H MET 1 3H MET 1 24.361 -2.474 7.450 4 HA MET 1 HA MET 1 25.425 -3.812 9.081 5 1HB MET 1 2HB MET 1 23.687 -2.234 10.945 6 2HB MET 1 1HB MET 1 24.172 -3.867 11.386 7 1HG MET 1 2HG MET 1 26.521 -3.235 11.159 8 2HG MET 1 1HG MET 1 26.039 -1.601 10.713 9 1HE MET 1 1HE MET 1 24.705 -0.079 13.977 10 2HE MET 1 2HE MET 1 23.793 -0.715 12.609 11 3HE MET 1 3HE MET 1 25.266 0.215 12.330 12 H LYS 2 H LYS 2 22.660 -3.440 7.478 13 HA LYS 2 HA LYS 2 21.168 -4.939 6.634 14 1HB LYS 2 2HB LYS 2 23.247 -6.298 6.414 15 2HB LYS 2 1HB LYS 2 22.931 -6.992 7.996 16 1HG LYS 2 2HG LYS 2 20.763 -7.867 7.063 17 2HG LYS 2 1HG LYS 2 21.339 -7.361 5.472 18 1HD LYS 2 2HD LYS 2 23.267 -8.800 5.662 19 2HD LYS 2 1HD LYS 2 22.820 -9.236 7.313 20 1HE LYS 2 2HE LYS 2 22.193 -11.020 5.821 21 2HE LYS 2 1HE LYS 2 20.737 -10.241 6.436 22 1HZ LYS 2 1HZ LYS 2 20.411 -9.131 4.395 23 2HZ LYS 2 2HZ LYS 2 20.748 -10.750 4.003 24 3HZ LYS 2 3HZ LYS 2 21.947 -9.564 3.821 25 H ARG 3 H ARG 3 20.323 -3.714 8.965 26 HA ARG 3 HA ARG 3 19.448 -5.819 10.777 27 1HB ARG 3 2HB ARG 3 18.611 -3.979 12.208 28 2HB ARG 3 1HB ARG 3 20.330 -3.881 11.862 29 1HG ARG 3 2HG ARG 3 20.042 -2.069 10.396 30 2HG ARG 3 1HG ARG 3 18.296 -2.315 10.306 31 1HD ARG 3 2HD ARG 3 18.034 -1.635 12.597 32 2HD ARG 3 1HD ARG 3 19.783 -1.548 12.811 33 HE ARG 3 HE ARG 3 19.472 0.213 10.861 34 1HH1 ARG 3 1HH1 ARG 3 17.489 -0.267 13.700 35 2HH1 ARG 3 2HH1 ARG 3 17.080 1.411 13.862 36 1HH2 ARG 3 1HH2 ARG 3 18.955 2.408 11.056 37 2HH2 ARG 3 2HH2 ARG 3 17.956 2.955 12.373 38 H GLN 4 H GLN 4 17.864 -3.244 8.820 39 HA GLN 4 HA GLN 4 15.391 -4.806 9.029 40 1HB GLN 4 2HB GLN 4 15.589 -1.875 9.733 41 2HB GLN 4 1HB GLN 4 14.094 -2.788 9.600 42 1HG GLN 4 2HG GLN 4 14.800 -4.217 11.454 43 2HG GLN 4 1HG GLN 4 16.297 -3.296 11.591 44 1HE2 GLN 4 1HE2 GLN 4 12.880 -3.305 12.136 45 2HE2 GLN 4 2HE2 GLN 4 12.817 -1.880 13.117 46 H LYS 5 H LYS 5 15.431 -5.270 6.862 47 HA LYS 5 HA LYS 5 14.998 -2.968 5.081 48 1HB LYS 5 2HB LYS 5 16.094 -5.707 4.595 49 2HB LYS 5 1HB LYS 5 15.251 -4.884 3.288 50 1HG LYS 5 2HG LYS 5 17.621 -3.781 4.783 51 2HG LYS 5 1HG LYS 5 17.685 -4.568 3.204 52 1HD LYS 5 2HD LYS 5 16.200 -2.029 3.886 53 2HD LYS 5 1HD LYS 5 17.686 -2.148 2.943 54 1HE LYS 5 2HE LYS 5 16.512 -3.417 1.224 55 2HE LYS 5 1HE LYS 5 15.032 -3.369 2.180 56 1HZ LYS 5 1HZ LYS 5 15.147 -0.899 2.005 57 2HZ LYS 5 2HZ LYS 5 14.881 -1.690 0.527 58 3HZ LYS 5 3HZ LYS 5 16.415 -1.081 0.897 59 H ARG 6 H ARG 6 14.024 -6.342 4.915 60 HA ARG 6 HA ARG 6 11.559 -5.838 3.666 61 1HB ARG 6 2HB ARG 6 12.897 -7.957 3.585 62 2HB ARG 6 1HB ARG 6 12.408 -8.284 5.236 63 1HG ARG 6 2HG ARG 6 10.321 -7.869 3.148 64 2HG ARG 6 1HG ARG 6 11.183 -9.405 3.225 65 1HD ARG 6 2HD ARG 6 9.442 -8.129 5.321 66 2HD ARG 6 1HD ARG 6 9.223 -9.681 4.516 67 HE ARG 6 HE ARG 6 11.141 -9.076 6.656 68 1HH1 ARG 6 1HH1 ARG 6 9.646 -11.443 4.533 69 2HH1 ARG 6 2HH1 ARG 6 10.201 -12.798 5.470 70 1HH2 ARG 6 1HH2 ARG 6 11.843 -10.847 7.871 71 2HH2 ARG 6 2HH2 ARG 6 11.432 -12.461 7.378 72 H ASP 7 H ASP 7 12.524 -5.827 6.964 73 HA ASP 7 HA ASP 7 10.250 -6.622 8.318 74 1HB ASP 7 2HB ASP 7 12.076 -4.395 9.223 75 2HB ASP 7 1HB ASP 7 11.153 -5.509 10.229 76 H ARG 8 H ARG 8 11.160 -3.179 8.059 77 HA ARG 8 HA ARG 8 8.545 -2.375 8.834 78 1HB ARG 8 2HB ARG 8 9.332 -0.135 8.704 79 2HB ARG 8 1HB ARG 8 10.656 -1.107 9.319 80 1HG ARG 8 2HG ARG 8 11.617 -1.135 7.017 81 2HG ARG 8 1HG ARG 8 10.355 0.006 6.540 82 1HD ARG 8 2HD ARG 8 11.173 1.454 8.481 83 2HD ARG 8 1HD ARG 8 12.585 0.400 8.519 84 HE ARG 8 HE ARG 8 11.823 2.198 6.317 85 1HH1 ARG 8 1HH1 ARG 8 14.193 0.180 7.922 86 2HH1 ARG 8 2HH1 ARG 8 15.520 0.728 6.941 87 1HH2 ARG 8 1HH2 ARG 8 13.558 2.953 5.055 88 2HH2 ARG 8 2HH2 ARG 8 15.149 2.306 5.297 89 H LEU 9 H LEU 9 9.954 -3.135 5.832 90 HA LEU 9 HA LEU 9 8.178 -1.558 4.230 91 1HB LEU 9 2HB LEU 9 10.169 -3.719 3.652 92 2HB LEU 9 1HB LEU 9 9.080 -3.138 2.404 93 HG LEU 9 HG LEU 9 10.942 -1.340 3.949 94 1HD1 LEU 9 1HD1 LEU 9 12.355 -1.364 1.956 95 2HD1 LEU 9 2HD1 LEU 9 11.302 -2.574 1.220 96 3HD1 LEU 9 3HD1 LEU 9 12.229 -2.974 2.666 97 1HD2 LEU 9 1HD2 LEU 9 10.466 0.215 2.107 98 2HD2 LEU 9 2HD2 LEU 9 9.015 -0.215 3.014 99 3HD2 LEU 9 3HD2 LEU 9 9.320 -0.951 1.441 100 H GLU 10 H GLU 10 8.336 -4.973 5.223 101 HA GLU 10 HA GLU 10 6.054 -5.775 3.740 102 1HB GLU 10 2HB GLU 10 7.690 -7.385 4.611 103 2HB GLU 10 1HB GLU 10 7.229 -6.971 6.255 104 1HG GLU 10 2HG GLU 10 4.997 -7.853 5.872 105 2HG GLU 10 1HG GLU 10 5.423 -8.225 4.200 106 H ARG 11 H ARG 11 6.508 -4.253 6.823 107 HA ARG 11 HA ARG 11 3.793 -4.606 7.683 108 1HB ARG 11 2HB ARG 11 5.939 -2.707 8.657 109 2HB ARG 11 1HB ARG 11 4.403 -3.004 9.467 110 1HG ARG 11 2HG ARG 11 5.008 -5.363 9.733 111 2HG ARG 11 1HG ARG 11 6.556 -5.047 8.954 112 1HD ARG 11 2HD ARG 11 7.157 -3.519 10.754 113 2HD ARG 11 1HD ARG 11 5.596 -3.803 11.530 114 HE ARG 11 HE ARG 11 6.957 -6.254 11.082 115 1HH1 ARG 11 1HH1 ARG 11 6.975 -3.456 13.189 116 2HH1 ARG 11 2HH1 ARG 11 7.662 -4.324 14.524 117 1HH2 ARG 11 1HH2 ARG 11 7.860 -7.379 12.817 118 2HH2 ARG 11 2HH2 ARG 11 8.165 -6.551 14.322 119 H ALA 12 H ALA 12 5.643 -2.159 5.989 120 HA ALA 12 HA ALA 12 3.588 -0.259 5.659 121 1HB ALA 12 1HB ALA 12 5.975 0.178 5.149 122 2HB ALA 12 2HB ALA 12 4.899 0.601 3.817 123 3HB ALA 12 3HB ALA 12 5.841 -0.890 3.747 124 H GLN 13 H GLN 13 4.295 -3.303 4.146 125 HA GLN 13 HA GLN 13 2.764 -2.998 1.796 126 1HB GLN 13 2HB GLN 13 4.396 -4.770 2.006 127 2HB GLN 13 1HB GLN 13 3.522 -5.472 3.358 128 1HG GLN 13 2HG GLN 13 1.755 -6.191 1.961 129 2HG GLN 13 1HG GLN 13 2.349 -5.233 0.605 130 1HE2 GLN 13 1HE2 GLN 13 4.057 -5.963 -0.596 131 2HE2 GLN 13 2HE2 GLN 13 4.681 -7.572 -0.476 132 H SER 14 H SER 14 1.930 -4.493 4.922 133 HA SER 14 HA SER 14 -0.805 -4.875 4.266 134 1HB SER 14 2HB SER 14 0.521 -4.666 6.984 135 2HB SER 14 1HB SER 14 -1.110 -5.270 6.688 136 HG SER 14 HG SER 14 1.222 -6.584 6.550 137 H GLN 15 H GLN 15 1.019 -2.250 5.711 138 HA GLN 15 HA GLN 15 -1.140 -0.676 6.588 139 1HB GLN 15 2HB GLN 15 1.158 -0.237 7.300 140 2HB GLN 15 1HB GLN 15 1.615 0.145 5.648 141 1HG GLN 15 2HG GLN 15 1.357 2.167 6.932 142 2HG GLN 15 1HG GLN 15 0.126 2.081 5.677 143 1HE2 GLN 15 1HE2 GLN 15 -0.006 0.263 8.667 144 2HE2 GLN 15 2HE2 GLN 15 -1.359 1.106 9.339 145 H GLY 16 H GLY 16 0.602 -0.815 3.510 146 1HA GLY 16 2HA GLY 16 -0.621 1.348 2.231 147 2HA GLY 16 1HA GLY 16 0.091 -0.038 1.421 148 H TYR 17 H TYR 17 -1.617 -2.054 2.364 149 HA TYR 17 HA TYR 17 -3.787 -1.867 0.614 150 1HB TYR 17 2HB TYR 17 -2.818 -3.989 1.611 151 2HB TYR 17 1HB TYR 17 -3.701 -3.608 3.086 152 HD1 TYR 17 HD1 TYR 17 -6.217 -3.581 3.040 153 HD2 TYR 17 HD2 TYR 17 -3.905 -4.935 -0.267 154 HE1 TYR 17 HE1 TYR 17 -8.202 -4.694 2.112 155 HE2 TYR 17 HE2 TYR 17 -5.884 -6.052 -1.202 156 HH TYR 17 HH TYR 17 -7.994 -6.809 -0.675 157 H LYS 18 H LYS 18 -3.705 -1.570 4.158 158 HA LYS 18 HA LYS 18 -6.370 -0.794 4.531 159 1HB LYS 18 2HB LYS 18 -5.048 -1.483 6.417 160 2HB LYS 18 1HB LYS 18 -3.879 -0.200 6.136 161 1HG LYS 18 2HG LYS 18 -5.569 1.469 6.704 162 2HG LYS 18 1HG LYS 18 -6.745 0.183 6.988 163 1HD LYS 18 2HD LYS 18 -5.286 -0.721 8.760 164 2HD LYS 18 1HD LYS 18 -4.163 0.615 8.497 165 1HE LYS 18 2HE LYS 18 -5.896 2.208 9.118 166 2HE LYS 18 1HE LYS 18 -7.045 0.888 9.342 167 1HZ LYS 18 1HZ LYS 18 -5.651 0.018 11.109 168 2HZ LYS 18 2HZ LYS 18 -6.113 1.614 11.446 169 3HZ LYS 18 3HZ LYS 18 -4.542 1.283 10.895 170 H ALA 19 H ALA 19 -3.475 1.079 3.806 171 HA ALA 19 HA ALA 19 -4.594 3.633 4.170 172 1HB ALA 19 1HB ALA 19 -2.192 3.232 4.073 173 2HB ALA 19 2HB ALA 19 -2.693 4.460 2.911 174 3HB ALA 19 3HB ALA 19 -2.328 2.824 2.362 175 H GLY 20 H GLY 20 -4.944 1.341 1.613 176 1HA GLY 20 2HA GLY 20 -5.813 3.165 -0.393 177 2HA GLY 20 1HA GLY 20 -6.146 1.445 -0.333 178 H LEU 21 H LEU 21 -7.406 1.521 2.253 179 HA LEU 21 HA LEU 21 -10.035 2.472 1.410 180 1HB LEU 21 2HB LEU 21 -9.204 0.856 3.831 181 2HB LEU 21 1HB LEU 21 -10.852 1.251 3.407 182 HG LEU 21 HG LEU 21 -10.666 -0.926 2.699 183 1HD1 LEU 21 1HD1 LEU 21 -9.858 0.665 0.280 184 2HD1 LEU 21 2HD1 LEU 21 -11.500 0.466 0.892 185 3HD1 LEU 21 3HD1 LEU 21 -10.614 -0.928 0.273 186 1HD2 LEU 21 1HD2 LEU 21 -7.909 -0.304 1.665 187 2HD2 LEU 21 2HD2 LEU 21 -8.728 -1.860 1.522 188 3HD2 LEU 21 3HD2 LEU 21 -8.306 -1.228 3.113 189 H ASN 22 H ASN 22 -7.621 2.954 3.862 190 HA ASN 22 HA ASN 22 -9.319 4.741 5.422 191 1HB ASN 22 2HB ASN 22 -7.784 2.857 6.293 192 2HB ASN 22 1HB ASN 22 -6.483 4.004 6.060 193 1HD2 ASN 22 1HD2 ASN 22 -9.775 4.708 7.125 194 2HD2 ASN 22 2HD2 ASN 22 -9.324 5.282 8.693 195 H GLY 23 H GLY 23 -6.256 4.786 3.640 196 1HA GLY 23 2HA GLY 23 -5.814 7.576 4.406 197 2HA GLY 23 1HA GLY 23 -4.704 6.552 3.501 198 H ARG 24 H ARG 24 -7.186 5.748 1.932 199 HA ARG 24 HA ARG 24 -8.254 6.254 0.007 200 1HB ARG 24 2HB ARG 24 -9.129 8.159 1.305 201 2HB ARG 24 1HB ARG 24 -7.767 9.124 0.768 202 1HG ARG 24 2HG ARG 24 -8.528 8.947 -1.537 203 2HG ARG 24 1HG ARG 24 -9.878 7.935 -1.017 204 1HD ARG 24 2HD ARG 24 -10.759 10.111 -1.257 205 2HD ARG 24 1HD ARG 24 -10.568 9.858 0.478 206 HE ARG 24 HE ARG 24 -8.844 11.543 -1.227 207 1HH1 ARG 24 1HH1 ARG 24 -9.978 10.581 1.955 208 2HH1 ARG 24 2HH1 ARG 24 -9.193 11.902 2.764 209 1HH2 ARG 24 1HH2 ARG 24 -7.843 13.292 -0.160 210 2HH2 ARG 24 2HH2 ARG 24 -7.982 13.445 1.568 211 H SER 25 H SER 25 -5.559 8.559 0.332 212 HA SER 25 HA SER 25 -4.939 8.178 -2.514 213 1HB SER 25 2HB SER 25 -4.073 10.307 -0.557 214 2HB SER 25 1HB SER 25 -3.612 10.257 -2.251 215 HG SER 25 HG SER 25 -5.359 11.552 -2.223 216 H GLN 26 H GLN 26 -2.508 8.523 -2.983 217 HA GLN 26 HA GLN 26 -0.979 6.549 -1.486 218 1HB GLN 26 2HB GLN 26 0.080 8.235 -3.742 219 2HB GLN 26 1HB GLN 26 0.565 6.619 -3.258 220 1HG GLN 26 2HG GLN 26 -1.530 5.713 -4.079 221 2HG GLN 26 1HG GLN 26 -2.072 7.332 -4.519 222 1HE2 GLN 26 1HE2 GLN 26 -1.742 5.007 -6.210 223 2HE2 GLN 26 2HE2 GLN 26 -0.614 5.447 -7.440 224 H GLU 27 H GLU 27 -1.600 9.787 -1.349 225 HA GLU 27 HA GLU 27 0.907 10.890 -0.627 226 1HB GLU 27 2HB GLU 27 -1.092 12.137 -1.458 227 2HB GLU 27 1HB GLU 27 -1.884 11.820 0.075 228 1HG GLU 27 2HG GLU 27 -0.204 13.119 1.238 229 2HG GLU 27 1HG GLU 27 0.649 13.399 -0.280 230 H ALA 28 H ALA 28 -1.001 8.668 0.911 231 HA ALA 28 HA ALA 28 -0.576 9.598 3.626 232 1HB ALA 28 1HB ALA 28 -2.701 8.542 3.011 233 2HB ALA 28 2HB ALA 28 -1.860 7.635 4.273 234 3HB ALA 28 3HB ALA 28 -1.837 7.055 2.610 235 H CYS 29 H CYS 29 1.582 8.515 1.628 236 HA CYS 29 HA CYS 29 2.651 6.344 3.273 237 1HB CYS 29 2HB CYS 29 2.626 5.926 0.874 238 2HB CYS 29 1HB CYS 29 3.531 7.403 0.574 239 HG CYS 29 HG CYS 29 5.754 6.124 0.461 240 HA PRO 30 HA PRO 30 5.495 9.518 4.869 241 1HB PRO 30 2HB PRO 30 5.361 8.869 7.420 242 2HB PRO 30 1HB PRO 30 3.959 9.620 6.641 243 1HG PRO 30 2HG PRO 30 4.447 6.732 7.288 244 2HG PRO 30 1HG PRO 30 2.967 7.688 7.497 245 1HD PRO 30 2HD PRO 30 3.499 6.016 5.327 246 2HD PRO 30 1HD PRO 30 2.303 7.321 5.350 247 H TYR 31 H TYR 31 5.992 6.486 3.981 248 HA TYR 31 HA TYR 31 8.048 5.768 5.918 249 1HB TYR 31 2HB TYR 31 6.884 4.212 3.607 250 2HB TYR 31 1HB TYR 31 8.127 3.601 4.694 251 HD1 TYR 31 HD1 TYR 31 7.558 3.433 7.172 252 HD2 TYR 31 HD2 TYR 31 4.610 4.011 4.160 253 HE1 TYR 31 HE1 TYR 31 5.826 2.637 8.724 254 HE2 TYR 31 HE2 TYR 31 2.871 3.212 5.702 255 HH TYR 31 HH TYR 31 3.331 2.925 9.007 256 H GLN 32 H GLN 32 8.191 4.979 2.506 257 HA GLN 32 HA GLN 32 10.717 6.435 2.231 258 1HB GLN 32 2HB GLN 32 11.203 4.143 3.099 259 2HB GLN 32 1HB GLN 32 10.384 3.465 1.705 260 1HG GLN 32 2HG GLN 32 12.077 4.128 0.237 261 2HG GLN 32 1HG GLN 32 12.758 5.268 1.402 262 1HE2 GLN 32 1HE2 GLN 32 14.795 4.354 1.227 263 2HE2 GLN 32 2HE2 GLN 32 15.183 2.823 1.920 264 H GLN 33 H GLN 33 11.479 5.831 -0.258 265 HA GLN 33 HA GLN 33 9.092 6.416 -1.813 266 1HB GLN 33 2HB GLN 33 12.007 6.879 -2.309 267 2HB GLN 33 1HB GLN 33 10.799 7.056 -3.567 268 1HG GLN 33 2HG GLN 33 10.853 8.578 -0.975 269 2HG GLN 33 1HG GLN 33 11.364 9.199 -2.544 270 1HE2 GLN 33 1HE2 GLN 33 9.266 10.135 -0.737 271 2HE2 GLN 33 2HE2 GLN 33 7.790 10.096 -1.651 272 H VAL 34 H VAL 34 12.117 4.786 -2.744 273 HA VAL 34 HA VAL 34 10.820 3.404 -4.845 274 HB VAL 34 HB VAL 34 13.511 2.900 -3.563 275 1HG1 VAL 34 1HG1 VAL 34 12.754 0.903 -4.708 276 2HG1 VAL 34 2HG1 VAL 34 14.059 1.670 -5.616 277 3HG1 VAL 34 3HG1 VAL 34 12.386 1.844 -6.153 278 1HG2 VAL 34 1HG2 VAL 34 14.381 4.080 -5.535 279 2HG2 VAL 34 2HG2 VAL 34 13.327 5.103 -4.559 280 3HG2 VAL 34 3HG2 VAL 34 12.727 4.396 -6.060 281 H ASP 35 H ASP 35 12.150 2.253 -1.779 282 HA ASP 35 HA ASP 35 11.348 -0.443 -2.155 283 1HB ASP 35 2HB ASP 35 12.149 1.127 0.294 284 2HB ASP 35 1HB ASP 35 11.744 -0.584 0.357 285 H ALA 36 H ALA 36 9.997 2.302 -0.434 286 HA ALA 36 HA ALA 36 7.863 0.939 0.780 287 1HB ALA 36 1HB ALA 36 8.592 3.056 1.610 288 2HB ALA 36 2HB ALA 36 6.904 3.189 1.109 289 3HB ALA 36 3HB ALA 36 8.189 3.848 0.084 290 H ARG 37 H ARG 37 8.067 2.691 -2.335 291 HA ARG 37 HA ARG 37 5.368 2.445 -3.018 292 1HB ARG 37 2HB ARG 37 7.864 2.565 -4.683 293 2HB ARG 37 1HB ARG 37 6.296 2.327 -5.439 294 1HG ARG 37 2HG ARG 37 5.518 4.419 -4.354 295 2HG ARG 37 1HG ARG 37 7.163 4.673 -3.771 296 1HD ARG 37 2HD ARG 37 6.446 4.340 -6.675 297 2HD ARG 37 1HD ARG 37 6.578 5.903 -5.877 298 HE ARG 37 HE ARG 37 8.914 5.551 -5.629 299 1HH1 ARG 37 1HH1 ARG 37 7.305 3.107 -7.566 300 2HH1 ARG 37 2HH1 ARG 37 8.769 2.572 -8.342 301 1HH2 ARG 37 1HH2 ARG 37 10.828 4.880 -6.662 302 2HH2 ARG 37 2HH2 ARG 37 10.784 3.587 -7.827 303 H SER 38 H SER 38 8.018 0.153 -3.302 304 HA SER 38 HA SER 38 6.680 -1.721 -4.940 305 1HB SER 38 2HB SER 38 8.955 -2.224 -3.007 306 2HB SER 38 1HB SER 38 8.518 -3.207 -4.406 307 HG SER 38 HG SER 38 9.651 -0.609 -4.349 308 H TYR 39 H TYR 39 6.816 -1.193 -1.485 309 HA TYR 39 HA TYR 39 5.352 -3.669 -1.025 310 1HB TYR 39 2HB TYR 39 6.842 -1.829 0.815 311 2HB TYR 39 1HB TYR 39 5.775 -3.090 1.425 312 HD1 TYR 39 HD2 TYR 39 8.823 -2.492 -0.598 313 HD2 TYR 39 HD1 TYR 39 6.493 -5.330 1.546 314 HE1 TYR 39 HE2 TYR 39 10.655 -4.122 -0.776 315 HE2 TYR 39 HE1 TYR 39 8.317 -6.967 1.375 316 HH TYR 39 HH TYR 39 10.249 -7.426 -0.011 317 H TRP 40 H TRP 40 5.195 -0.314 0.067 318 HA TRP 40 HA TRP 40 2.645 -0.531 1.254 319 1HB TRP 40 2HB TRP 40 4.386 1.144 1.847 320 2HB TRP 40 1HB TRP 40 4.111 1.940 0.306 321 HD1 TRP 40 HD1 TRP 40 2.657 1.565 3.789 322 HE1 TRP 40 HE1 TRP 40 0.791 3.309 4.108 323 HE3 TRP 40 HE3 TRP 40 2.287 3.247 -1.017 324 HZ2 TRP 40 HZ2 TRP 40 -0.636 5.154 2.539 325 HZ3 TRP 40 HZ3 TRP 40 0.646 5.004 -1.527 326 HH2 TRP 40 HH2 TRP 40 -0.790 5.938 0.216 327 H LEU 41 H LEU 41 3.712 0.785 -1.903 328 HA LEU 41 HA LEU 41 1.031 1.616 -2.557 329 1HB LEU 41 2HB LEU 41 3.481 2.425 -3.394 330 2HB LEU 41 1HB LEU 41 3.053 1.349 -4.709 331 HG LEU 41 HG LEU 41 1.345 3.673 -3.810 332 1HD1 LEU 41 1HD1 LEU 41 2.178 4.833 -5.783 333 2HD1 LEU 41 2HD1 LEU 41 3.267 3.488 -6.123 334 3HD1 LEU 41 3HD1 LEU 41 3.490 4.454 -4.664 335 1HD2 LEU 41 1HD2 LEU 41 1.251 1.971 -6.300 336 2HD2 LEU 41 2HD2 LEU 41 0.202 3.344 -5.938 337 3HD2 LEU 41 3HD2 LEU 41 0.120 1.883 -4.949 338 H GLY 42 H GLY 42 3.042 -1.171 -2.994 339 1HA GLY 42 2HA GLY 42 1.621 -2.504 -5.013 340 2HA GLY 42 1HA GLY 42 2.545 -3.287 -3.735 341 H GLY 43 H GLY 43 1.169 -2.474 -1.485 342 1HA GLY 43 2HA GLY 43 -1.121 -4.180 -1.536 343 2HA GLY 43 1HA GLY 43 -0.610 -3.167 -0.192 344 H TRP 44 H TRP 44 -0.640 -0.691 -1.503 345 HA TRP 44 HA TRP 44 -3.272 0.159 -1.181 346 1HB TRP 44 2HB TRP 44 -1.223 1.599 -1.136 347 2HB TRP 44 1HB TRP 44 -1.136 1.464 -2.886 348 HD1 TRP 44 HD1 TRP 44 -3.006 3.227 -0.102 349 HE1 TRP 44 HE1 TRP 44 -4.469 5.090 -1.103 350 HE3 TRP 44 HE3 TRP 44 -2.454 2.112 -5.063 351 HZ2 TRP 44 HZ2 TRP 44 -5.278 5.972 -3.658 352 HZ3 TRP 44 HZ3 TRP 44 -3.605 3.518 -6.719 353 HH2 TRP 44 HH2 TRP 44 -4.988 5.409 -6.029 354 H ARG 45 H ARG 45 -1.454 -0.443 -4.175 355 HA ARG 45 HA ARG 45 -3.627 0.142 -5.903 356 1HB ARG 45 2HB ARG 45 -0.919 -0.267 -6.226 357 2HB ARG 45 1HB ARG 45 -1.613 -1.703 -6.967 358 1HG ARG 45 2HG ARG 45 -2.289 1.144 -7.688 359 2HG ARG 45 1HG ARG 45 -1.226 0.072 -8.594 360 1HD ARG 45 2HD ARG 45 -4.176 -0.317 -8.107 361 2HD ARG 45 1HD ARG 45 -3.423 0.165 -9.625 362 HE ARG 45 HE ARG 45 -3.064 -2.478 -8.361 363 1HH1 ARG 45 1HH1 ARG 45 -3.204 -0.426 -11.184 364 2HH1 ARG 45 2HH1 ARG 45 -3.175 -1.747 -12.314 365 1HH2 ARG 45 1HH2 ARG 45 -2.999 -4.233 -9.847 366 2HH2 ARG 45 2HH2 ARG 45 -3.066 -3.918 -11.553 367 H ASP 46 H ASP 46 -2.525 -2.760 -4.290 368 HA ASP 46 HA ASP 46 -3.940 -4.602 -5.920 369 1HB ASP 46 2HB ASP 46 -2.017 -5.097 -4.289 370 2HB ASP 46 1HB ASP 46 -3.246 -5.087 -3.028 371 H ALA 47 H ALA 47 -4.696 -3.033 -2.821 372 HA ALA 47 HA ALA 47 -7.214 -4.133 -2.370 373 1HB ALA 47 1HB ALA 47 -6.275 -1.322 -1.789 374 2HB ALA 47 2HB ALA 47 -6.068 -2.723 -0.737 375 3HB ALA 47 3HB ALA 47 -7.685 -2.099 -1.073 376 H ARG 48 H ARG 48 -6.300 -1.243 -4.192 377 HA ARG 48 HA ARG 48 -8.839 -0.513 -5.092 378 1HB ARG 48 2HB ARG 48 -6.656 0.788 -5.297 379 2HB ARG 48 1HB ARG 48 -6.298 -0.213 -6.698 380 1HG ARG 48 2HG ARG 48 -7.217 1.835 -7.483 381 2HG ARG 48 1HG ARG 48 -8.440 0.580 -7.711 382 1HD ARG 48 2HD ARG 48 -9.477 1.289 -5.565 383 2HD ARG 48 1HD ARG 48 -8.322 2.619 -5.495 384 HE ARG 48 HE ARG 48 -9.783 2.584 -7.949 385 1HH1 ARG 48 1HH1 ARG 48 -9.850 3.605 -4.599 386 2HH1 ARG 48 2HH1 ARG 48 -11.093 4.793 -4.851 387 1HH2 ARG 48 1HH2 ARG 48 -11.417 4.159 -8.291 388 2HH2 ARG 48 2HH2 ARG 48 -11.992 5.096 -6.939 389 H ASP 49 H ASP 49 -6.413 -2.660 -6.522 390 HA ASP 49 HA ASP 49 -7.838 -3.266 -8.883 391 1HB ASP 49 2HB ASP 49 -5.425 -3.587 -8.691 392 2HB ASP 49 1HB ASP 49 -5.671 -4.836 -7.476 393 H GLU 50 H GLU 50 -8.373 -4.292 -5.693 394 HA GLU 50 HA GLU 50 -9.591 -6.820 -6.483 395 1HB GLU 50 2HB GLU 50 -9.189 -5.554 -3.769 396 2HB GLU 50 1HB GLU 50 -10.109 -7.033 -4.011 397 1HG GLU 50 2HG GLU 50 -7.900 -7.784 -5.246 398 2HG GLU 50 1HG GLU 50 -7.188 -6.560 -4.196 399 H LYS 51 H LYS 51 -10.386 -3.562 -5.692 400 HA LYS 51 HA LYS 51 -13.255 -4.154 -5.627 401 1HB LYS 51 2HB LYS 51 -11.746 -1.530 -5.550 402 2HB LYS 51 1HB LYS 51 -13.496 -1.670 -5.479 403 1HG LYS 51 2HG LYS 51 -13.266 -2.980 -3.400 404 2HG LYS 51 1HG LYS 51 -11.525 -2.700 -3.456 405 1HD LYS 51 2HD LYS 51 -11.908 -0.291 -3.360 406 2HD LYS 51 1HD LYS 51 -13.650 -0.565 -3.317 407 1HE LYS 51 2HE LYS 51 -11.656 -1.484 -1.254 408 2HE LYS 51 1HE LYS 51 -12.759 -0.119 -1.090 409 1HZ LYS 51 1HZ LYS 51 -13.465 -3.001 -1.267 410 2HZ LYS 51 2HZ LYS 51 -14.606 -1.750 -1.375 411 3HZ LYS 51 3HZ LYS 51 -13.704 -1.948 0.047 412 H GLN 52 H GLN 52 -10.711 -3.366 -7.683 413 HA GLN 52 HA GLN 52 -12.334 -2.234 -9.789 414 1HB GLN 52 2HB GLN 52 -9.458 -2.787 -9.332 415 2HB GLN 52 1HB GLN 52 -10.006 -2.535 -10.991 416 1HG GLN 52 2HG GLN 52 -10.368 -0.625 -8.690 417 2HG GLN 52 1HG GLN 52 -9.163 -0.480 -9.967 418 1HE2 GLN 52 1HE2 GLN 52 -10.953 -1.360 -12.069 419 2HE2 GLN 52 2HE2 GLN 52 -12.041 -0.049 -12.357 420 H SER 53 H SER 53 -10.078 -4.987 -9.797 421 HA SER 53 HA SER 53 -11.368 -6.129 -12.087 422 1HB SER 53 2HB SER 53 -9.251 -7.334 -10.287 423 2HB SER 53 1HB SER 53 -9.680 -7.879 -11.909 424 HG SER 53 HG SER 53 -7.973 -5.918 -11.167 425 H GLY 54 H GLY 54 -11.899 -6.249 -8.744 426 1HA GLY 54 2HA GLY 54 -13.092 -8.850 -8.610 427 2HA GLY 54 1HA GLY 54 -13.235 -7.571 -7.412 428 H LEU 55 H LEU 55 -14.148 -5.699 -9.555 429 HA LEU 55 HA LEU 55 -16.865 -6.762 -9.927 430 1HB LEU 55 2HB LEU 55 -15.950 -3.976 -9.289 431 2HB LEU 55 1HB LEU 55 -17.492 -4.271 -10.065 432 HG LEU 55 HG LEU 55 -17.916 -3.978 -7.750 433 1HD1 LEU 55 1HD1 LEU 55 -17.955 -6.921 -8.369 434 2HD1 LEU 55 2HD1 LEU 55 -19.197 -5.746 -8.802 435 3HD1 LEU 55 3HD1 LEU 55 -18.887 -6.119 -7.106 436 1HD2 LEU 55 1HD2 LEU 55 -16.851 -5.264 -5.989 437 2HD2 LEU 55 2HD2 LEU 55 -15.648 -4.361 -6.912 438 3HD2 LEU 55 3HD2 LEU 55 -15.850 -6.093 -7.178 439 H TYR 56 H TYR 56 -15.099 -3.969 -11.170 440 HA TYR 56 HA TYR 56 -14.807 -3.106 -13.247 441 1HB TYR 56 2HB TYR 56 -13.731 -5.312 -13.663 442 2HB TYR 56 1HB TYR 56 -15.286 -5.939 -14.184 443 HD1 TYR 56 HD1 TYR 56 -12.668 -3.445 -14.988 444 HD2 TYR 56 HD2 TYR 56 -15.996 -5.672 -16.432 445 HE1 TYR 56 HE1 TYR 56 -12.134 -2.746 -17.282 446 HE2 TYR 56 HE2 TYR 56 -15.468 -4.978 -18.734 447 HH TYR 56 HH TYR 56 -14.263 -3.169 -19.898 448 H LYS 57 H LYS 57 -17.240 -5.611 -13.601 449 HA LYS 57 HA LYS 57 -19.532 -4.083 -13.441 450 1HB LYS 57 2HB LYS 57 -18.633 -3.079 -15.596 451 2HB LYS 57 1HB LYS 57 -18.874 -4.653 -16.341 452 1HG LYS 57 2HG LYS 57 -21.277 -4.510 -15.764 453 2HG LYS 57 1HG LYS 57 -20.995 -2.882 -15.146 454 1HD LYS 57 2HD LYS 57 -20.282 -2.153 -17.353 455 2HD LYS 57 1HD LYS 57 -20.487 -3.792 -17.977 456 1HE LYS 57 2HE LYS 57 -22.667 -2.057 -16.827 457 2HE LYS 57 1HE LYS 57 -22.392 -2.355 -18.541 458 1HZ LYS 57 1HZ LYS 57 -22.826 -4.709 -18.165 459 2HZ LYS 57 2HZ LYS 57 -24.148 -3.768 -17.676 460 3HZ LYS 57 3HZ LYS 57 -23.102 -4.416 -16.519 461 H LEU 58 H LEU 58 -18.235 -6.730 -12.925 462 HA LEU 58 HA LEU 58 -19.795 -8.565 -14.548 463 1HB LEU 58 2HB LEU 58 -17.622 -9.072 -12.517 464 2HB LEU 58 1HB LEU 58 -18.389 -10.292 -13.505 465 HG LEU 58 HG LEU 58 -16.691 -8.020 -14.535 466 1HD1 LEU 58 1HD1 LEU 58 -16.128 -10.977 -14.367 467 2HD1 LEU 58 2HD1 LEU 58 -15.407 -9.730 -13.351 468 3HD1 LEU 58 3HD1 LEU 58 -15.077 -9.754 -15.082 469 1HD2 LEU 58 1HD2 LEU 58 -16.859 -9.175 -16.697 470 2HD2 LEU 58 2HD2 LEU 58 -18.431 -8.617 -16.122 471 3HD2 LEU 58 3HD2 LEU 58 -17.997 -10.321 -15.985 472 H GLU 59 H GLU 59 -20.742 -10.428 -13.440 473 HA GLU 59 HA GLU 59 -21.768 -9.866 -10.758 474 1HB GLU 59 2HB GLU 59 -24.074 -10.597 -11.679 475 2HB GLU 59 1HB GLU 59 -23.535 -8.951 -11.987 476 1HG GLU 59 2HG GLU 59 -22.706 -9.763 -14.221 477 2HG GLU 59 1HG GLU 59 -23.555 -11.273 -13.895 478 H HIS 60 H HIS 60 -21.614 -12.087 -13.491 479 HA HIS 60 HA HIS 60 -20.457 -14.096 -11.855 480 1HB HIS 60 2HB HIS 60 -22.135 -15.905 -12.459 481 2HB HIS 60 1HB HIS 60 -22.640 -14.774 -11.216 482 HD1 HIS 60 HD1 HIS 60 -23.975 -16.494 -13.967 483 HD2 HIS 60 HD2 HIS 60 -24.308 -12.587 -12.586 484 HE1 HIS 60 HE1 HIS 60 -26.107 -15.603 -14.959 485 HE2 HIS 60 HE2 HIS 60 -26.421 -13.354 -13.866 Start of MODEL 20 1 1H MET 1 1H MET 1 22.145 -7.822 11.653 2 2H MET 1 2H MET 1 22.195 -7.609 13.333 3 3H MET 1 3H MET 1 22.793 -6.397 12.307 4 HA MET 1 HA MET 1 19.972 -7.287 12.481 5 1HB MET 1 2HB MET 1 19.534 -5.136 13.545 6 2HB MET 1 1HB MET 1 20.700 -6.060 14.481 7 1HG MET 1 2HG MET 1 22.519 -4.721 13.565 8 2HG MET 1 1HG MET 1 21.368 -3.812 12.589 9 1HE MET 1 1HE MET 1 23.520 -2.494 14.610 10 2HE MET 1 2HE MET 1 22.522 -1.223 15.315 11 3HE MET 1 3HE MET 1 22.419 -1.567 13.589 12 H LYS 2 H LYS 2 22.053 -6.635 10.199 13 HA LYS 2 HA LYS 2 20.821 -4.253 9.085 14 1HB LYS 2 2HB LYS 2 23.256 -4.472 8.960 15 2HB LYS 2 1HB LYS 2 23.081 -5.946 8.014 16 1HG LYS 2 2HG LYS 2 21.999 -4.682 6.232 17 2HG LYS 2 1HG LYS 2 22.149 -3.205 7.183 18 1HD LYS 2 2HD LYS 2 24.608 -3.484 7.147 19 2HD LYS 2 1HD LYS 2 24.401 -4.892 6.102 20 1HE LYS 2 2HE LYS 2 23.318 -3.497 4.425 21 2HE LYS 2 1HE LYS 2 23.491 -2.089 5.469 22 1HZ LYS 2 1HZ LYS 2 25.681 -3.665 4.228 23 2HZ LYS 2 2HZ LYS 2 25.920 -2.424 5.361 24 3HZ LYS 2 3HZ LYS 2 25.229 -2.070 3.853 25 H ARG 3 H ARG 3 18.773 -4.969 8.606 26 HA ARG 3 HA ARG 3 18.356 -5.353 5.918 27 1HB ARG 3 2HB ARG 3 17.693 -7.554 5.523 28 2HB ARG 3 1HB ARG 3 19.128 -7.747 6.518 29 1HG ARG 3 2HG ARG 3 17.847 -8.307 8.424 30 2HG ARG 3 1HG ARG 3 16.344 -7.787 7.658 31 1HD ARG 3 2HD ARG 3 16.793 -9.588 5.920 32 2HD ARG 3 1HD ARG 3 18.031 -10.193 7.019 33 HE ARG 3 HE ARG 3 15.977 -10.175 8.659 34 1HH1 ARG 3 1HH1 ARG 3 16.066 -11.149 5.303 35 2HH1 ARG 3 2HH1 ARG 3 14.757 -12.280 5.453 36 1HH2 ARG 3 1HH2 ARG 3 14.242 -11.680 8.871 37 2HH2 ARG 3 2HH2 ARG 3 13.733 -12.594 7.482 38 H GLN 4 H GLN 4 17.317 -4.224 8.648 39 HA GLN 4 HA GLN 4 14.713 -5.452 8.869 40 1HB GLN 4 2HB GLN 4 16.013 -3.253 10.466 41 2HB GLN 4 1HB GLN 4 14.430 -3.938 10.815 42 1HG GLN 4 2HG GLN 4 15.662 -6.192 10.920 43 2HG GLN 4 1HG GLN 4 17.124 -5.214 11.049 44 1HE2 GLN 4 1HE2 GLN 4 17.422 -3.917 12.888 45 2HE2 GLN 4 2HE2 GLN 4 16.543 -4.208 14.354 46 H LYS 5 H LYS 5 15.852 -3.172 6.842 47 HA LYS 5 HA LYS 5 13.706 -1.324 6.856 48 1HB LYS 5 2HB LYS 5 14.363 -0.744 4.607 49 2HB LYS 5 1HB LYS 5 15.816 -0.983 5.565 50 1HG LYS 5 2HG LYS 5 16.352 -2.963 4.498 51 2HG LYS 5 1HG LYS 5 14.704 -3.211 3.918 52 1HD LYS 5 2HD LYS 5 15.001 -1.159 2.496 53 2HD LYS 5 1HD LYS 5 16.704 -1.174 2.948 54 1HE LYS 5 2HE LYS 5 16.990 -3.354 1.950 55 2HE LYS 5 1HE LYS 5 15.266 -3.447 1.591 56 1HZ LYS 5 1HZ LYS 5 17.132 -1.424 0.469 57 2HZ LYS 5 2HZ LYS 5 15.485 -1.583 0.086 58 3HZ LYS 5 3HZ LYS 5 16.585 -2.804 -0.348 59 H ARG 6 H ARG 6 14.154 -4.570 5.676 60 HA ARG 6 HA ARG 6 11.872 -4.803 4.056 61 1HB ARG 6 2HB ARG 6 13.506 -6.525 3.927 62 2HB ARG 6 1HB ARG 6 13.460 -6.807 5.659 63 1HG ARG 6 2HG ARG 6 10.947 -7.260 4.164 64 2HG ARG 6 1HG ARG 6 12.263 -8.406 3.897 65 1HD ARG 6 2HD ARG 6 12.373 -8.918 6.235 66 2HD ARG 6 1HD ARG 6 11.242 -7.623 6.623 67 HE ARG 6 HE ARG 6 9.564 -8.961 5.345 68 1HH1 ARG 6 1HH1 ARG 6 12.322 -10.508 6.835 69 2HH1 ARG 6 2HH1 ARG 6 11.534 -12.046 7.012 70 1HH2 ARG 6 1HH2 ARG 6 8.491 -10.943 5.607 71 2HH2 ARG 6 2HH2 ARG 6 9.338 -12.298 6.313 72 H ASP 7 H ASP 7 12.349 -5.045 7.515 73 HA ASP 7 HA ASP 7 9.884 -6.088 8.284 74 1HB ASP 7 2HB ASP 7 11.738 -4.152 9.676 75 2HB ASP 7 1HB ASP 7 10.310 -4.835 10.446 76 H ARG 8 H ARG 8 10.875 -2.669 8.101 77 HA ARG 8 HA ARG 8 8.321 -1.630 8.691 78 1HB ARG 8 2HB ARG 8 9.188 0.509 8.110 79 2HB ARG 8 1HB ARG 8 10.529 -0.381 8.821 80 1HG ARG 8 2HG ARG 8 11.382 -0.867 6.577 81 2HG ARG 8 1HG ARG 8 10.046 0.042 5.877 82 1HD ARG 8 2HD ARG 8 11.860 1.524 5.871 83 2HD ARG 8 1HD ARG 8 10.872 2.016 7.246 84 HE ARG 8 HE ARG 8 12.583 0.470 8.500 85 1HH1 ARG 8 1HH1 ARG 8 13.202 2.733 5.904 86 2HH1 ARG 8 2HH1 ARG 8 14.827 3.078 6.408 87 1HH2 ARG 8 1HH2 ARG 8 14.740 0.921 9.180 88 2HH2 ARG 8 2HH2 ARG 8 15.689 2.075 8.277 89 H LEU 9 H LEU 9 9.768 -2.770 5.752 90 HA LEU 9 HA LEU 9 7.900 -1.514 3.979 91 1HB LEU 9 2HB LEU 9 9.901 -3.732 3.591 92 2HB LEU 9 1HB LEU 9 8.911 -3.081 2.297 93 HG LEU 9 HG LEU 9 10.866 -1.459 3.923 94 1HD1 LEU 9 1HD1 LEU 9 11.996 -3.150 2.544 95 2HD1 LEU 9 2HD1 LEU 9 12.292 -1.515 1.962 96 3HD1 LEU 9 3HD1 LEU 9 11.137 -2.551 1.124 97 1HD2 LEU 9 1HD2 LEU 9 9.035 -0.147 3.040 98 2HD2 LEU 9 2HD2 LEU 9 9.295 -0.828 1.435 99 3HD2 LEU 9 3HD2 LEU 9 10.520 0.211 2.163 100 H GLU 10 H GLU 10 8.218 -4.704 5.460 101 HA GLU 10 HA GLU 10 6.030 -5.870 4.059 102 1HB GLU 10 2HB GLU 10 7.837 -7.155 5.208 103 2HB GLU 10 1HB GLU 10 7.168 -6.648 6.751 104 1HG GLU 10 2HG GLU 10 5.178 -7.878 6.391 105 2HG GLU 10 1HG GLU 10 5.604 -8.193 4.708 106 H ARG 11 H ARG 11 6.380 -3.919 6.890 107 HA ARG 11 HA ARG 11 3.694 -4.190 7.837 108 1HB ARG 11 2HB ARG 11 5.677 -1.940 8.300 109 2HB ARG 11 1HB ARG 11 4.195 -2.213 9.207 110 1HG ARG 11 2HG ARG 11 5.079 -4.298 10.075 111 2HG ARG 11 1HG ARG 11 6.547 -4.089 9.117 112 1HD ARG 11 2HD ARG 11 6.917 -1.926 10.335 113 2HD ARG 11 1HD ARG 11 5.583 -2.375 11.398 114 HE ARG 11 HE ARG 11 7.445 -4.479 11.314 115 1HH1 ARG 11 1HH1 ARG 11 7.070 -1.242 12.575 116 2HH1 ARG 11 2HH1 ARG 11 8.186 -1.478 13.885 117 1HH2 ARG 11 1HH2 ARG 11 8.932 -4.809 12.998 118 2HH2 ARG 11 2HH2 ARG 11 9.284 -3.509 14.107 119 H ALA 12 H ALA 12 5.484 -1.927 5.821 120 HA ALA 12 HA ALA 12 3.388 -0.205 5.139 121 1HB ALA 12 1HB ALA 12 5.782 0.251 4.709 122 2HB ALA 12 2HB ALA 12 4.770 0.487 3.284 123 3HB ALA 12 3HB ALA 12 5.757 -0.967 3.431 124 H GLN 13 H GLN 13 4.271 -3.378 3.956 125 HA GLN 13 HA GLN 13 2.652 -3.307 1.612 126 1HB GLN 13 2HB GLN 13 4.446 -4.963 1.899 127 2HB GLN 13 1HB GLN 13 3.569 -5.694 3.237 128 1HG GLN 13 2HG GLN 13 1.789 -6.362 1.754 129 2HG GLN 13 1HG GLN 13 2.568 -5.540 0.402 130 1HE2 GLN 13 1HE2 GLN 13 2.637 -8.306 2.510 131 2HE2 GLN 13 2HE2 GLN 13 3.790 -9.219 1.594 132 H SER 14 H SER 14 2.127 -4.413 4.913 133 HA SER 14 HA SER 14 -0.574 -5.229 4.537 134 1HB SER 14 2HB SER 14 0.867 -6.051 6.380 135 2HB SER 14 1HB SER 14 0.883 -4.433 7.073 136 HG SER 14 HG SER 14 -0.955 -6.383 7.333 137 H GLN 15 H GLN 15 0.991 -2.325 5.798 138 HA GLN 15 HA GLN 15 -1.315 -0.876 6.438 139 1HB GLN 15 2HB GLN 15 0.900 -0.219 7.229 140 2HB GLN 15 1HB GLN 15 1.412 0.094 5.578 141 1HG GLN 15 2HG GLN 15 0.847 2.125 6.917 142 2HG GLN 15 1HG GLN 15 0.004 1.970 5.378 143 1HE2 GLN 15 1HE2 GLN 15 -1.662 3.283 5.955 144 2HE2 GLN 15 2HE2 GLN 15 -2.870 2.831 7.117 145 H GLY 16 H GLY 16 0.596 -1.012 3.464 146 1HA GLY 16 2HA GLY 16 -0.777 0.900 1.976 147 2HA GLY 16 1HA GLY 16 0.078 -0.482 1.302 148 H TYR 17 H TYR 17 -1.506 -2.523 2.512 149 HA TYR 17 HA TYR 17 -3.606 -2.757 0.687 150 1HB TYR 17 2HB TYR 17 -2.607 -4.677 1.908 151 2HB TYR 17 1HB TYR 17 -3.382 -4.114 3.387 152 HD1 TYR 17 HD2 TYR 17 -4.018 -5.465 0.007 153 HD2 TYR 17 HD1 TYR 17 -5.669 -4.595 3.831 154 HE1 TYR 17 HE2 TYR 17 -6.041 -6.724 -0.589 155 HE2 TYR 17 HE1 TYR 17 -7.697 -5.855 3.252 156 HH TYR 17 HH TYR 17 -7.904 -7.842 0.446 157 H LYS 18 H LYS 18 -3.739 -1.918 4.163 158 HA LYS 18 HA LYS 18 -6.499 -1.269 4.124 159 1HB LYS 18 2HB LYS 18 -5.307 -1.732 6.220 160 2HB LYS 18 1HB LYS 18 -4.345 -0.276 6.000 161 1HG LYS 18 2HG LYS 18 -6.482 1.042 6.073 162 2HG LYS 18 1HG LYS 18 -7.302 -0.452 6.519 163 1HD LYS 18 2HD LYS 18 -5.999 -0.662 8.523 164 2HD LYS 18 1HD LYS 18 -4.985 0.705 8.060 165 1HE LYS 18 2HE LYS 18 -6.844 2.217 8.268 166 2HE LYS 18 1HE LYS 18 -7.949 0.877 8.577 167 1HZ LYS 18 1HZ LYS 18 -5.655 1.594 10.328 168 2HZ LYS 18 2HZ LYS 18 -6.852 0.432 10.643 169 3HZ LYS 18 3HZ LYS 18 -7.257 2.078 10.604 170 H ALA 19 H ALA 19 -3.611 0.538 3.373 171 HA ALA 19 HA ALA 19 -4.753 3.119 3.396 172 1HB ALA 19 1HB ALA 19 -2.413 2.142 1.771 173 2HB ALA 19 2HB ALA 19 -2.333 2.700 3.443 174 3HB ALA 19 3HB ALA 19 -2.796 3.821 2.161 175 H GLY 20 H GLY 20 -4.912 0.528 1.109 176 1HA GLY 20 2HA GLY 20 -5.648 2.015 -1.181 177 2HA GLY 20 1HA GLY 20 -6.023 0.329 -0.874 178 H LEU 21 H LEU 21 -7.441 0.866 1.582 179 HA LEU 21 HA LEU 21 -9.940 1.843 0.413 180 1HB LEU 21 2HB LEU 21 -10.805 0.867 2.704 181 2HB LEU 21 1HB LEU 21 -10.506 -0.171 1.328 182 HG LEU 21 HG LEU 21 -8.243 0.194 3.201 183 1HD1 LEU 21 1HD1 LEU 21 -10.119 0.041 4.755 184 2HD1 LEU 21 2HD1 LEU 21 -9.156 -1.437 4.782 185 3HD1 LEU 21 3HD1 LEU 21 -10.699 -1.406 3.927 186 1HD2 LEU 21 1HD2 LEU 21 -9.483 -2.203 1.852 187 2HD2 LEU 21 2HD2 LEU 21 -7.973 -2.189 2.762 188 3HD2 LEU 21 3HD2 LEU 21 -8.104 -1.279 1.256 189 H ASN 22 H ASN 22 -7.919 2.202 3.279 190 HA ASN 22 HA ASN 22 -9.666 4.351 4.240 191 1HB ASN 22 2HB ASN 22 -8.916 2.249 5.555 192 2HB ASN 22 1HB ASN 22 -7.423 3.130 5.800 193 1HD2 ASN 22 1HD2 ASN 22 -7.382 4.871 7.167 194 2HD2 ASN 22 2HD2 ASN 22 -8.717 5.311 8.180 195 H GLY 23 H GLY 23 -6.479 3.735 3.012 196 1HA GLY 23 2HA GLY 23 -5.365 6.192 4.101 197 2HA GLY 23 1HA GLY 23 -4.563 5.076 3.001 198 H ARG 24 H ARG 24 -7.251 5.262 1.514 199 HA ARG 24 HA ARG 24 -8.003 6.153 -0.377 200 1HB ARG 24 2HB ARG 24 -7.122 8.696 0.959 201 2HB ARG 24 1HB ARG 24 -8.173 8.573 -0.430 202 1HG ARG 24 2HG ARG 24 -9.851 7.430 0.831 203 2HG ARG 24 1HG ARG 24 -8.781 7.351 2.231 204 1HD ARG 24 2HD ARG 24 -10.528 9.133 2.348 205 2HD ARG 24 1HD ARG 24 -8.873 9.703 2.540 206 HE ARG 24 HE ARG 24 -9.077 10.909 0.599 207 1HH1 ARG 24 1HH1 ARG 24 -11.696 8.575 0.722 208 2HH1 ARG 24 2HH1 ARG 24 -12.627 9.364 -0.520 209 1HH2 ARG 24 1HH2 ARG 24 -10.331 11.973 -0.995 210 2HH2 ARG 24 2HH2 ARG 24 -11.861 11.301 -1.473 211 H SER 25 H SER 25 -5.156 8.209 0.217 212 HA SER 25 HA SER 25 -4.551 7.966 -2.649 213 1HB SER 25 2HB SER 25 -3.705 10.107 -0.699 214 2HB SER 25 1HB SER 25 -3.453 10.131 -2.434 215 HG SER 25 HG SER 25 -5.708 10.231 -2.718 216 H GLN 26 H GLN 26 -2.285 8.090 -3.288 217 HA GLN 26 HA GLN 26 -0.574 6.338 -1.786 218 1HB GLN 26 2HB GLN 26 0.310 8.108 -4.043 219 2HB GLN 26 1HB GLN 26 0.926 6.531 -3.584 220 1HG GLN 26 2HG GLN 26 -1.115 5.477 -4.359 221 2HG GLN 26 1HG GLN 26 -1.799 7.059 -4.743 222 1HE2 GLN 26 1HE2 GLN 26 -1.304 4.761 -6.473 223 2HE2 GLN 26 2HE2 GLN 26 -0.266 5.327 -7.738 224 H GLU 27 H GLU 27 -1.293 9.577 -1.619 225 HA GLU 27 HA GLU 27 1.103 10.819 -0.915 226 1HB GLU 27 2HB GLU 27 -0.936 12.058 -1.360 227 2HB GLU 27 1HB GLU 27 -1.741 11.294 0.001 228 1HG GLU 27 2HG GLU 27 0.042 12.385 1.448 229 2HG GLU 27 1HG GLU 27 0.428 13.354 0.027 230 H ALA 28 H ALA 28 -0.800 8.490 0.709 231 HA ALA 28 HA ALA 28 0.014 9.246 3.383 232 1HB ALA 28 1HB ALA 28 -2.285 8.512 2.883 233 2HB ALA 28 2HB ALA 28 -1.502 7.505 4.104 234 3HB ALA 28 3HB ALA 28 -1.663 6.922 2.447 235 H CYS 29 H CYS 29 2.093 8.310 1.497 236 HA CYS 29 HA CYS 29 2.879 5.782 2.777 237 1HB CYS 29 2HB CYS 29 2.857 5.716 0.334 238 2HB CYS 29 1HB CYS 29 3.939 7.103 0.267 239 HG CYS 29 HG CYS 29 6.194 5.849 0.757 240 HA PRO 30 HA PRO 30 5.762 8.693 4.783 241 1HB PRO 30 2HB PRO 30 5.280 8.063 7.300 242 2HB PRO 30 1HB PRO 30 4.062 8.935 6.358 243 1HG PRO 30 2HG PRO 30 4.180 6.038 7.091 244 2HG PRO 30 1HG PRO 30 2.779 7.122 7.044 245 1HD PRO 30 2HD PRO 30 3.534 5.329 5.019 246 2HD PRO 30 1HD PRO 30 2.397 6.678 4.848 247 H TYR 31 H TYR 31 5.817 5.291 4.561 248 HA TYR 31 HA TYR 31 7.709 4.791 6.663 249 1HB TYR 31 2HB TYR 31 6.656 3.022 4.458 250 2HB TYR 31 1HB TYR 31 7.760 2.468 5.716 251 HD1 TYR 31 HD1 TYR 31 7.007 2.572 8.120 252 HD2 TYR 31 HD2 TYR 31 4.333 3.174 4.863 253 HE1 TYR 31 HE1 TYR 31 5.102 2.160 9.614 254 HE2 TYR 31 HE2 TYR 31 2.419 2.759 6.353 255 HH TYR 31 HH TYR 31 2.638 2.824 9.661 256 H GLN 32 H GLN 32 7.917 4.908 3.143 257 HA GLN 32 HA GLN 32 10.726 5.505 3.219 258 1HB GLN 32 2HB GLN 32 10.434 2.918 3.447 259 2HB GLN 32 1HB GLN 32 9.954 2.977 1.762 260 1HG GLN 32 2HG GLN 32 12.238 2.382 1.831 261 2HG GLN 32 1HG GLN 32 12.158 4.043 1.253 262 1HE2 GLN 32 1HE2 GLN 32 14.309 4.379 1.884 263 2HE2 GLN 32 2HE2 GLN 32 14.743 4.592 3.546 264 H GLN 33 H GLN 33 11.473 5.548 0.728 265 HA GLN 33 HA GLN 33 9.209 6.666 -0.728 266 1HB GLN 33 2HB GLN 33 11.155 8.109 -0.462 267 2HB GLN 33 1HB GLN 33 12.156 6.913 -1.273 268 1HG GLN 33 2HG GLN 33 11.568 8.708 -2.784 269 2HG GLN 33 1HG GLN 33 10.852 7.180 -3.304 270 1HE2 GLN 33 1HE2 GLN 33 8.645 6.919 -3.244 271 2HE2 GLN 33 2HE2 GLN 33 7.552 8.233 -2.988 272 H VAL 34 H VAL 34 12.141 4.992 -1.840 273 HA VAL 34 HA VAL 34 10.757 4.058 -4.175 274 HB VAL 34 HB VAL 34 13.528 3.447 -3.131 275 1HG1 VAL 34 1HG1 VAL 34 12.776 1.638 -4.553 276 2HG1 VAL 34 2HG1 VAL 34 13.988 2.602 -5.399 277 3HG1 VAL 34 3HG1 VAL 34 12.279 2.789 -5.796 278 1HG2 VAL 34 1HG2 VAL 34 13.253 5.776 -3.726 279 2HG2 VAL 34 2HG2 VAL 34 12.550 5.324 -5.279 280 3HG2 VAL 34 3HG2 VAL 34 14.244 4.971 -4.942 281 H ASP 35 H ASP 35 12.206 2.535 -1.337 282 HA ASP 35 HA ASP 35 11.552 -0.125 -2.047 283 1HB ASP 35 2HB ASP 35 12.025 1.074 0.692 284 2HB ASP 35 1HB ASP 35 11.956 -0.645 0.349 285 H ALA 36 H ALA 36 9.904 2.385 -0.258 286 HA ALA 36 HA ALA 36 7.728 0.772 0.616 287 1HB ALA 36 1HB ALA 36 8.149 2.725 1.861 288 2HB ALA 36 2HB ALA 36 6.628 3.008 1.011 289 3HB ALA 36 3HB ALA 36 8.123 3.742 0.416 290 H ARG 37 H ARG 37 8.423 2.603 -2.292 291 HA ARG 37 HA ARG 37 5.810 2.788 -3.279 292 1HB ARG 37 2HB ARG 37 7.667 3.969 -4.331 293 2HB ARG 37 1HB ARG 37 8.395 2.440 -4.803 294 1HG ARG 37 2HG ARG 37 6.579 1.972 -6.301 295 2HG ARG 37 1HG ARG 37 5.707 3.403 -5.746 296 1HD ARG 37 2HD ARG 37 7.478 4.830 -6.618 297 2HD ARG 37 1HD ARG 37 8.382 3.408 -7.141 298 HE ARG 37 HE ARG 37 6.386 2.940 -8.609 299 1HH1 ARG 37 1HH1 ARG 37 7.198 6.203 -7.605 300 2HH1 ARG 37 2HH1 ARG 37 6.486 6.939 -9.010 301 1HH2 ARG 37 1HH2 ARG 37 5.479 3.895 -10.444 302 2HH2 ARG 37 2HH2 ARG 37 5.513 5.621 -10.634 303 H SER 38 H SER 38 8.261 0.245 -3.727 304 HA SER 38 HA SER 38 6.564 -1.359 -5.350 305 1HB SER 38 2HB SER 38 9.056 -2.130 -3.814 306 2HB SER 38 1HB SER 38 8.311 -3.071 -5.109 307 HG SER 38 HG SER 38 8.619 -1.050 -6.395 308 H TYR 39 H TYR 39 7.166 -1.174 -1.899 309 HA TYR 39 HA TYR 39 5.690 -3.607 -1.411 310 1HB TYR 39 2HB TYR 39 7.194 -1.712 0.336 311 2HB TYR 39 1HB TYR 39 6.063 -2.852 1.052 312 HD1 TYR 39 HD2 TYR 39 9.219 -2.530 -0.823 313 HD2 TYR 39 HD1 TYR 39 6.566 -5.191 1.172 314 HE1 TYR 39 HE2 TYR 39 10.960 -4.265 -0.840 315 HE2 TYR 39 HE1 TYR 39 8.301 -6.933 1.169 316 HH TYR 39 HH TYR 39 11.526 -6.317 0.575 317 H TRP 40 H TRP 40 5.359 -0.276 -0.244 318 HA TRP 40 HA TRP 40 2.837 -0.674 0.953 319 1HB TRP 40 2HB TRP 40 4.460 1.079 1.606 320 2HB TRP 40 1HB TRP 40 4.171 1.901 0.082 321 HD1 TRP 40 HD1 TRP 40 2.694 1.392 3.540 322 HE1 TRP 40 HE1 TRP 40 0.732 3.031 3.863 323 HE3 TRP 40 HE3 TRP 40 2.276 3.120 -1.257 324 HZ2 TRP 40 HZ2 TRP 40 -0.762 4.820 2.306 325 HZ3 TRP 40 HZ3 TRP 40 0.548 4.799 -1.750 326 HH2 TRP 40 HH2 TRP 40 -0.944 5.627 -0.006 327 H LEU 41 H LEU 41 3.783 0.804 -2.174 328 HA LEU 41 HA LEU 41 1.073 1.526 -2.790 329 1HB LEU 41 2HB LEU 41 3.467 2.387 -3.694 330 2HB LEU 41 1HB LEU 41 3.069 1.255 -4.971 331 HG LEU 41 HG LEU 41 1.226 3.491 -4.133 332 1HD1 LEU 41 1HD1 LEU 41 3.260 3.455 -6.355 333 2HD1 LEU 41 2HD1 LEU 41 3.336 4.439 -4.893 334 3HD1 LEU 41 3HD1 LEU 41 2.056 4.712 -6.076 335 1HD2 LEU 41 1HD2 LEU 41 0.170 1.647 -5.347 336 2HD2 LEU 41 2HD2 LEU 41 1.361 1.814 -6.638 337 3HD2 LEU 41 3HD2 LEU 41 0.215 3.117 -6.320 338 H GLY 42 H GLY 42 3.108 -1.244 -3.244 339 1HA GLY 42 2HA GLY 42 1.572 -2.611 -5.191 340 2HA GLY 42 1HA GLY 42 2.655 -3.361 -4.024 341 H GLY 43 H GLY 43 1.438 -2.537 -1.647 342 1HA GLY 43 2HA GLY 43 -0.801 -4.310 -1.462 343 2HA GLY 43 1HA GLY 43 -0.206 -3.247 -0.192 344 H TRP 44 H TRP 44 -0.393 -0.845 -1.732 345 HA TRP 44 HA TRP 44 -3.005 -0.014 -1.210 346 1HB TRP 44 2HB TRP 44 -1.043 1.500 -1.426 347 2HB TRP 44 1HB TRP 44 -1.025 1.192 -3.158 348 HD1 TRP 44 HD1 TRP 44 -3.177 2.926 -0.473 349 HE1 TRP 44 HE1 TRP 44 -4.622 4.716 -1.628 350 HE3 TRP 44 HE3 TRP 44 -2.004 1.907 -5.348 351 HZ2 TRP 44 HZ2 TRP 44 -5.183 5.583 -4.248 352 HZ3 TRP 44 HZ3 TRP 44 -3.039 3.268 -7.118 353 HH2 TRP 44 HH2 TRP 44 -4.595 5.069 -6.577 354 H ARG 45 H ARG 45 -1.447 -0.707 -4.341 355 HA ARG 45 HA ARG 45 -3.803 -0.502 -5.880 356 1HB ARG 45 2HB ARG 45 -1.130 -1.777 -6.342 357 2HB ARG 45 1HB ARG 45 -2.430 -2.007 -7.497 358 1HG ARG 45 2HG ARG 45 -2.598 0.446 -7.739 359 2HG ARG 45 1HG ARG 45 -1.209 0.612 -6.662 360 1HD ARG 45 2HD ARG 45 -0.611 0.725 -9.073 361 2HD ARG 45 1HD ARG 45 0.202 -0.577 -8.203 362 HE ARG 45 HE ARG 45 -1.956 -1.836 -9.208 363 1HH1 ARG 45 1HH1 ARG 45 0.375 0.296 -10.721 364 2HH1 ARG 45 2HH1 ARG 45 0.294 -0.509 -12.266 365 1HH2 ARG 45 1HH2 ARG 45 -2.091 -2.861 -11.220 366 2HH2 ARG 45 2HH2 ARG 45 -1.153 -2.271 -12.561 367 H ASP 46 H ASP 46 -2.461 -3.081 -3.987 368 HA ASP 46 HA ASP 46 -3.747 -5.292 -5.116 369 1HB ASP 46 2HB ASP 46 -1.969 -5.190 -3.244 370 2HB ASP 46 1HB ASP 46 -3.324 -4.949 -2.151 371 H ALA 47 H ALA 47 -4.729 -3.440 -2.239 372 HA ALA 47 HA ALA 47 -7.329 -4.585 -2.133 373 1HB ALA 47 1HB ALA 47 -7.799 -2.904 -0.433 374 2HB ALA 47 2HB ALA 47 -6.332 -2.031 -0.875 375 3HB ALA 47 3HB ALA 47 -6.216 -3.639 -0.163 376 H ARG 48 H ARG 48 -6.004 -1.655 -3.550 377 HA ARG 48 HA ARG 48 -8.431 -0.325 -4.036 378 1HB ARG 48 2HB ARG 48 -6.003 0.552 -4.168 379 2HB ARG 48 1HB ARG 48 -6.017 -0.067 -5.813 380 1HG ARG 48 2HG ARG 48 -6.524 2.323 -5.726 381 2HG ARG 48 1HG ARG 48 -7.878 1.391 -6.368 382 1HD ARG 48 2HD ARG 48 -9.131 1.645 -4.417 383 2HD ARG 48 1HD ARG 48 -7.718 2.076 -3.455 384 HE ARG 48 HE ARG 48 -7.704 4.215 -4.670 385 1HH1 ARG 48 1HH1 ARG 48 -10.665 2.346 -4.697 386 2HH1 ARG 48 2HH1 ARG 48 -11.693 3.734 -4.889 387 1HH2 ARG 48 1HH2 ARG 48 -9.020 6.029 -4.895 388 2HH2 ARG 48 2HH2 ARG 48 -10.753 5.846 -4.981 389 H ASP 49 H ASP 49 -6.447 -2.387 -6.172 390 HA ASP 49 HA ASP 49 -8.278 -2.209 -8.349 391 1HB ASP 49 2HB ASP 49 -5.821 -3.793 -7.781 392 2HB ASP 49 1HB ASP 49 -6.881 -4.330 -9.079 393 H GLU 50 H GLU 50 -8.155 -4.207 -5.557 394 HA GLU 50 HA GLU 50 -9.533 -6.455 -6.702 395 1HB GLU 50 2HB GLU 50 -8.031 -6.640 -4.704 396 2HB GLU 50 1HB GLU 50 -9.228 -5.748 -3.775 397 1HG GLU 50 2HG GLU 50 -10.872 -7.523 -4.248 398 2HG GLU 50 1HG GLU 50 -9.617 -8.425 -5.092 399 H LYS 51 H LYS 51 -10.341 -3.542 -4.983 400 HA LYS 51 HA LYS 51 -13.177 -4.246 -4.914 401 1HB LYS 51 2HB LYS 51 -11.800 -1.708 -3.988 402 2HB LYS 51 1HB LYS 51 -13.466 -2.172 -3.665 403 1HG LYS 51 2HG LYS 51 -12.682 -4.072 -2.348 404 2HG LYS 51 1HG LYS 51 -11.012 -3.602 -2.664 405 1HD LYS 51 2HD LYS 51 -11.619 -2.807 -0.486 406 2HD LYS 51 1HD LYS 51 -11.494 -1.419 -1.569 407 1HE LYS 51 2HE LYS 51 -13.891 -1.304 -1.785 408 2HE LYS 51 1HE LYS 51 -14.087 -2.795 -0.863 409 1HZ LYS 51 1HZ LYS 51 -13.007 -1.612 1.033 410 2HZ LYS 51 2HZ LYS 51 -14.526 -0.995 0.590 411 3HZ LYS 51 3HZ LYS 51 -13.118 -0.171 0.135 412 H GLN 52 H GLN 52 -10.865 -2.915 -6.874 413 HA GLN 52 HA GLN 52 -12.463 -0.884 -8.153 414 1HB GLN 52 2HB GLN 52 -9.941 -0.948 -7.964 415 2HB GLN 52 1HB GLN 52 -9.968 -2.191 -9.203 416 1HG GLN 52 2HG GLN 52 -9.528 -0.276 -10.405 417 2HG GLN 52 1HG GLN 52 -11.265 -0.475 -10.613 418 1HE2 GLN 52 1HE2 GLN 52 -11.870 0.494 -7.896 419 2HE2 GLN 52 2HE2 GLN 52 -11.622 2.201 -7.952 420 H SER 53 H SER 53 -10.990 -3.825 -9.519 421 HA SER 53 HA SER 53 -12.956 -3.797 -11.640 422 1HB SER 53 2HB SER 53 -11.598 -5.882 -12.359 423 2HB SER 53 1HB SER 53 -10.818 -4.305 -12.438 424 HG SER 53 HG SER 53 -9.404 -4.987 -11.059 425 H GLY 54 H GLY 54 -12.343 -5.545 -8.701 426 1HA GLY 54 2HA GLY 54 -14.122 -7.721 -9.300 427 2HA GLY 54 1HA GLY 54 -13.409 -7.357 -7.736 428 H LEU 55 H LEU 55 -14.424 -4.558 -7.932 429 HA LEU 55 HA LEU 55 -16.194 -3.293 -7.303 430 1HB LEU 55 2HB LEU 55 -17.771 -5.475 -8.665 431 2HB LEU 55 1HB LEU 55 -18.453 -3.957 -8.111 432 HG LEU 55 HG LEU 55 -16.299 -4.214 -10.214 433 1HD1 LEU 55 1HD1 LEU 55 -18.426 -5.117 -10.997 434 2HD1 LEU 55 2HD1 LEU 55 -18.035 -3.599 -11.807 435 3HD1 LEU 55 3HD1 LEU 55 -19.239 -3.627 -10.517 436 1HD2 LEU 55 1HD2 LEU 55 -16.756 -1.849 -10.638 437 2HD2 LEU 55 2HD2 LEU 55 -16.185 -2.110 -8.989 438 3HD2 LEU 55 3HD2 LEU 55 -17.900 -1.829 -9.293 439 H TYR 56 H TYR 56 -15.369 -5.936 -5.799 440 HA TYR 56 HA TYR 56 -15.754 -6.844 -3.767 441 1HB TYR 56 2HB TYR 56 -16.002 -4.529 -3.017 442 2HB TYR 56 1HB TYR 56 -17.699 -4.551 -3.467 443 HD1 TYR 56 HD2 TYR 56 -15.280 -6.354 -1.256 444 HD2 TYR 56 HD1 TYR 56 -19.275 -5.005 -1.832 445 HE1 TYR 56 HE2 TYR 56 -15.865 -7.126 1.008 446 HE2 TYR 56 HE1 TYR 56 -19.868 -5.775 0.425 447 HH TYR 56 HH TYR 56 -17.522 -6.700 2.728 448 H LYS 57 H LYS 57 -17.823 -6.972 -6.232 449 HA LYS 57 HA LYS 57 -19.852 -8.539 -4.785 450 1HB LYS 57 2HB LYS 57 -20.617 -6.552 -6.136 451 2HB LYS 57 1HB LYS 57 -20.051 -7.384 -7.577 452 1HG LYS 57 2HG LYS 57 -21.657 -9.144 -7.256 453 2HG LYS 57 1HG LYS 57 -22.153 -8.460 -5.706 454 1HD LYS 57 2HD LYS 57 -22.412 -7.041 -8.356 455 2HD LYS 57 1HD LYS 57 -23.711 -7.956 -7.586 456 1HE LYS 57 2HE LYS 57 -23.580 -6.470 -5.637 457 2HE LYS 57 1HE LYS 57 -22.299 -5.553 -6.431 458 1HZ LYS 57 1HZ LYS 57 -23.811 -4.873 -8.125 459 2HZ LYS 57 2HZ LYS 57 -24.545 -4.556 -6.632 460 3HZ LYS 57 3HZ LYS 57 -25.030 -5.896 -7.544 461 H LEU 58 H LEU 58 -17.094 -9.266 -5.792 462 HA LEU 58 HA LEU 58 -17.464 -11.142 -7.891 463 1HB LEU 58 2HB LEU 58 -15.200 -12.018 -6.999 464 2HB LEU 58 1HB LEU 58 -15.278 -10.452 -7.772 465 HG LEU 58 HG LEU 58 -15.383 -9.444 -5.444 466 1HD1 LEU 58 1HD1 LEU 58 -14.545 -12.230 -4.663 467 2HD1 LEU 58 2HD1 LEU 58 -16.035 -11.413 -4.192 468 3HD1 LEU 58 3HD1 LEU 58 -14.477 -10.809 -3.621 469 1HD2 LEU 58 1HD2 LEU 58 -12.968 -9.627 -5.122 470 2HD2 LEU 58 2HD2 LEU 58 -13.382 -9.382 -6.818 471 3HD2 LEU 58 3HD2 LEU 58 -12.922 -10.986 -6.245 472 H GLU 59 H GLU 59 -17.178 -13.451 -7.707 473 HA GLU 59 HA GLU 59 -19.121 -14.487 -5.926 474 1HB GLU 59 2HB GLU 59 -17.162 -15.963 -7.687 475 2HB GLU 59 1HB GLU 59 -18.595 -16.653 -6.939 476 1HG GLU 59 2HG GLU 59 -18.543 -14.491 -9.036 477 2HG GLU 59 1HG GLU 59 -19.000 -16.178 -9.271 478 H HIS 60 H HIS 60 -18.629 -14.401 -3.831 479 HA HIS 60 HA HIS 60 -17.788 -14.996 -1.820 480 1HB HIS 60 2HB HIS 60 -17.623 -17.292 -3.262 481 2HB HIS 60 1HB HIS 60 -15.934 -17.064 -2.824 482 HD1 HIS 60 HD1 HIS 60 -16.259 -19.270 -1.375 483 HD2 HIS 60 HD2 HIS 60 -18.417 -15.946 -0.103 484 HE1 HIS 60 HE1 HIS 60 -16.993 -19.798 0.972 485 HE2 HIS 60 HE2 HIS 60 -18.421 -17.834 1.672
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