NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
637374 | 6a5i | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H PCA 1 H PGA 1 28.333 26.893 37.744 2 HA PCA 1 HA PGA 1 27.820 28.758 39.403 3 HB2 PCA 1 HB1 PGA 1 30.046 30.415 39.309 4 HB3 PCA 1 HB2 PGA 1 29.921 29.000 40.398 5 HG2 PCA 1 HG1 PGA 1 31.381 29.220 37.757 6 HG3 PCA 1 HG2 PGA 1 31.833 28.301 39.233 7 H ASP 2 H ASP 2 26.730 30.652 38.793 8 HA ASP 2 HA ASP 2 26.401 31.453 36.146 9 HB2 ASP 2 HB2 ASP 2 26.099 33.236 38.595 10 HB3 ASP 2 HB1 ASP 2 25.208 33.346 37.084 11 H ARG 3 H ARG 3 29.306 31.699 37.379 12 HA ARG 3 HA ARG 3 30.047 34.412 36.433 13 HB2 ARG 3 HB2 ARG 3 31.270 33.292 38.943 14 HB3 ARG 3 HB1 ARG 3 31.202 34.969 38.404 15 HG2 ARG 3 HG2 ARG 3 28.958 35.255 39.167 16 HG3 ARG 3 HG1 ARG 3 28.761 33.508 39.469 17 HD2 ARG 3 HD2 ARG 3 30.579 33.506 41.094 18 HD3 ARG 3 HD1 ARG 3 30.818 35.235 40.905 19 HE ARG 3 HE ARG 3 28.465 35.554 41.660 20 HH11 ARG 3 1HH1 ARG 3 29.990 32.513 42.498 21 HH12 ARG 3 2HH1 ARG 3 28.904 32.193 43.814 22 HH21 ARG 3 1HH2 ARG 3 27.106 35.092 43.353 23 HH22 ARG 3 2HH2 ARG 3 27.331 33.653 44.307 24 HA PRO 4 HA PRO 4 33.282 32.047 34.683 25 HB2 PRO 4 HB1 PRO 4 35.549 33.589 34.806 26 HB3 PRO 4 HB2 PRO 4 34.173 33.905 33.705 27 HG2 PRO 4 HG1 PRO 4 34.863 35.264 36.299 28 HG3 PRO 4 HG2 PRO 4 34.187 35.969 34.804 29 HD2 PRO 4 HD1 PRO 4 32.732 35.266 37.049 30 HD3 PRO 4 HD2 PRO 4 32.021 35.397 35.419 31 H LYS 5 H LYS 5 34.464 30.312 35.325 32 HA LYS 5 HA LYS 5 35.272 29.960 38.032 33 HB2 LYS 5 HB2 LYS 5 35.836 27.847 37.518 34 HB3 LYS 5 HB1 LYS 5 34.770 28.176 36.157 35 HG2 LYS 5 HG2 LYS 5 36.800 28.638 34.743 36 HG3 LYS 5 HG1 LYS 5 37.833 28.290 36.142 37 HD2 LYS 5 HD2 LYS 5 36.783 25.981 36.251 38 HD3 LYS 5 HD1 LYS 5 36.022 26.346 34.700 39 HE2 LYS 5 HE2 LYS 5 38.020 25.125 34.230 40 HE3 LYS 5 HE1 LYS 5 38.300 26.794 33.726 41 HZ1 LYS 5 HZ1 LYS 5 40.193 25.887 34.963 42 HZ2 LYS 5 HZ2 LYS 5 39.531 27.122 35.819 43 HZ3 LYS 5 HZ3 LYS 5 39.258 25.572 36.271 44 H PHE 6 H PHE 6 37.076 31.391 35.377 45 HA PHE 6 HA PHE 6 39.680 31.013 36.538 46 HB2 PHE 6 HB2 PHE 6 40.435 32.769 35.052 47 HB3 PHE 6 HB1 PHE 6 39.511 31.529 34.213 48 HD1 PHE 6 HD1 PHE 6 39.191 34.975 35.705 49 HD2 PHE 6 HD2 PHE 6 37.800 32.182 32.715 50 HE1 PHE 6 HE1 PHE 6 37.773 36.727 34.715 51 HE2 PHE 6 HE2 PHE 6 36.404 33.963 31.716 52 HZ PHE 6 HZ PHE 6 36.359 36.236 32.734 53 H CYS 7 H CYS 7 37.068 33.163 37.366 54 HA CYS 7 HA CYS 7 38.610 35.104 38.789 55 HB2 CYS 7 HB2 CYS 7 36.642 35.984 39.272 56 HB3 CYS 7 HB1 CYS 7 36.021 34.893 38.038 57 H TYR 8 H TYR 8 38.042 31.787 39.486 58 HA TYR 8 HA TYR 8 38.410 32.065 42.402 59 HB2 TYR 8 HB2 TYR 8 37.986 29.641 40.614 60 HB3 TYR 8 HB1 TYR 8 38.200 29.576 42.336 61 HD1 TYR 8 HD1 TYR 8 35.930 31.205 39.785 62 HD2 TYR 8 HD2 TYR 8 36.363 29.529 43.731 63 HE1 TYR 8 HE1 TYR 8 33.493 31.464 40.144 64 HE2 TYR 8 HE2 TYR 8 33.926 29.779 44.100 65 HH TYR 8 HH TYR 8 31.961 30.306 43.161 66 H LEU 9 H LEU 9 40.326 31.546 39.587 67 HA LEU 9 HA LEU 9 42.361 29.880 40.668 68 HB2 LEU 9 HB2 LEU 9 42.489 32.066 38.561 69 HB3 LEU 9 HB1 LEU 9 43.771 30.898 38.871 70 HG LEU 9 HG LEU 9 40.976 30.109 37.984 71 HD11 LEU 9 1HD1 LEU 9 41.894 29.856 35.741 72 HD12 LEU 9 2HD1 LEU 9 42.138 31.527 36.296 73 HD13 LEU 9 3HD1 LEU 9 43.492 30.389 36.309 74 HD21 LEU 9 1HD2 LEU 9 42.101 27.987 37.340 75 HD22 LEU 9 2HD2 LEU 9 43.610 28.586 38.050 76 HD23 LEU 9 3HD2 LEU 9 42.194 28.286 39.082 77 HA PRO 10 HA PRO 10 43.815 32.836 43.797 78 HB2 PRO 10 HB1 PRO 10 46.302 31.688 44.233 79 HB3 PRO 10 HB2 PRO 10 44.768 31.194 45.011 80 HG2 PRO 10 HG1 PRO 10 46.126 29.993 42.589 81 HG3 PRO 10 HG2 PRO 10 45.381 29.144 43.987 82 HD2 PRO 10 HD1 PRO 10 44.082 29.411 41.659 83 HD3 PRO 10 HD2 PRO 10 43.184 29.603 43.193 84 H ASP 11 H ASP 11 45.647 34.422 43.998 85 HA ASP 11 HA ASP 11 46.033 35.737 41.486 86 HB2 ASP 11 HB2 ASP 11 47.653 37.141 42.751 87 HB3 ASP 11 HB1 ASP 11 46.045 37.067 43.461 88 H ASP 12 H ASP 12 47.337 35.213 39.921 89 HA ASP 12 HA ASP 12 49.780 33.591 40.509 90 HB2 ASP 12 HB2 ASP 12 47.997 32.365 39.337 91 HB3 ASP 12 HB1 ASP 12 48.012 33.577 38.045 92 HA PRO 13 HA PRO 13 51.336 37.598 38.727 93 HB2 PRO 13 HB1 PRO 13 53.458 37.802 40.527 94 HB3 PRO 13 HB2 PRO 13 51.843 38.505 40.770 95 HG2 PRO 13 HG1 PRO 13 52.900 35.906 41.872 96 HG3 PRO 13 HG2 PRO 13 52.009 37.218 42.729 97 HD2 PRO 13 HD1 PRO 13 50.774 35.004 41.819 98 HD3 PRO 13 HD2 PRO 13 49.958 36.596 41.750 99 H GLY 14 H GLY 14 52.239 34.381 39.095 100 HA2 GLY 14 HA2 GLY 14 53.649 33.073 37.853 101 HA3 GLY 14 HA1 GLY 14 54.380 34.523 37.147 102 H VAL 15 H VAL 15 56.410 33.574 37.443 103 HA VAL 15 HA VAL 15 57.502 33.567 40.229 104 HB VAL 15 HB VAL 15 59.003 31.802 39.510 105 HG11 VAL 15 1HG1 VAL 15 57.404 30.000 39.343 106 HG12 VAL 15 2HG1 VAL 15 56.755 31.232 40.431 107 HG13 VAL 15 3HG1 VAL 15 56.129 31.090 38.776 108 HG21 VAL 15 1HG2 VAL 15 58.759 30.673 37.352 109 HG22 VAL 15 2HG2 VAL 15 57.532 31.833 36.836 110 HG23 VAL 15 3HG2 VAL 15 59.212 32.364 37.100 111 H CYS 16 H CYS 16 57.475 35.724 38.042 112 HA CYS 16 HA CYS 16 60.337 36.066 37.423 113 HB2 CYS 16 HB2 CYS 16 57.764 37.262 36.539 114 HB3 CYS 16 HB1 CYS 16 59.135 38.365 36.562 115 H LYS 17 H LYS 17 61.196 38.322 37.724 116 HA LYS 17 HA LYS 17 60.822 39.178 40.558 117 HB2 LYS 17 HB2 LYS 17 63.204 39.625 40.654 118 HB3 LYS 17 HB1 LYS 17 62.874 37.933 40.314 119 HG2 LYS 17 HG2 LYS 17 63.510 39.868 38.040 120 HG3 LYS 17 HG1 LYS 17 64.783 39.203 39.056 121 HD2 LYS 17 HD2 LYS 17 64.159 36.909 38.412 122 HD3 LYS 17 HD1 LYS 17 62.821 37.508 37.435 123 HE2 LYS 17 HE2 LYS 17 64.621 37.033 35.954 124 HE3 LYS 17 HE1 LYS 17 64.362 38.783 36.000 125 HZ1 LYS 17 HZ1 LYS 17 66.714 38.210 36.136 126 HZ2 LYS 17 HZ2 LYS 17 66.241 38.946 37.533 127 HZ3 LYS 17 HZ3 LYS 17 66.472 37.317 37.491 128 H ALA 18 H ALA 18 59.191 40.415 38.878 129 HA ALA 18 HA ALA 18 60.438 43.098 38.400 130 HB1 ALA 18 HB1 ALA 18 58.999 43.401 36.492 131 HB2 ALA 18 HB2 ALA 18 59.847 41.860 36.290 132 HB3 ALA 18 HB3 ALA 18 58.164 41.883 36.821 133 H HIS 19 H HIS 19 57.960 44.424 37.919 134 HA HIS 19 HA HIS 19 56.248 43.939 40.190 135 HB2 HIS 19 HB2 HIS 19 58.223 45.145 41.185 136 HB3 HIS 19 HB1 HIS 19 57.893 46.514 40.145 137 HD1 HIS 19 HD1 HIS 19 57.601 45.843 43.526 138 HD2 HIS 19 HD2 HIS 19 54.910 47.211 40.591 139 HE1 HIS 19 HE1 HIS 19 55.770 47.182 44.776 140 HE2 HIS 19 HE2 HIS 19 54.116 47.975 42.968 141 H ILE 20 H ILE 20 54.427 43.951 38.885 142 HA ILE 20 HA ILE 20 53.753 46.585 37.640 143 HB ILE 20 HB ILE 20 52.842 43.889 36.648 144 HG12 ILE 20 2HG1 ILE 20 55.204 45.589 35.799 145 HG13 ILE 20 1HG1 ILE 20 55.196 43.892 36.274 146 HG21 ILE 20 1HG2 ILE 20 52.032 45.155 34.724 147 HG22 ILE 20 2HG2 ILE 20 51.352 45.848 36.187 148 HG23 ILE 20 3HG2 ILE 20 52.715 46.657 35.376 149 HD11 ILE 20 HD1 ILE 20 55.526 43.913 33.940 150 HD12 ILE 20 HD2 ILE 20 53.833 43.426 34.155 151 HD13 ILE 20 HD3 ILE 20 54.222 45.092 33.679 152 HA PRO 21 HA PRO 21 50.453 46.350 40.751 153 HB2 PRO 21 HB1 PRO 21 49.251 48.514 39.011 154 HB3 PRO 21 HB2 PRO 21 49.452 48.471 40.783 155 HG2 PRO 21 HG1 PRO 21 51.108 49.959 39.228 156 HG3 PRO 21 HG2 PRO 21 51.766 49.021 40.609 157 HD2 PRO 21 HD1 PRO 21 51.759 48.293 37.673 158 HD3 PRO 21 HD2 PRO 21 53.084 48.172 38.865 159 H ARG 22 H ARG 22 49.099 44.600 40.540 160 HA ARG 22 HA ARG 22 47.217 44.474 38.233 161 HB2 ARG 22 HB2 ARG 22 49.476 42.902 38.324 162 HB3 ARG 22 HB1 ARG 22 48.388 41.931 39.290 163 HG2 ARG 22 HG2 ARG 22 47.894 41.062 37.216 164 HG3 ARG 22 HG1 ARG 22 46.725 42.365 37.211 165 HD2 ARG 22 HD2 ARG 22 49.409 42.188 35.814 166 HD3 ARG 22 HD1 ARG 22 47.811 42.382 35.092 167 HE ARG 22 HE ARG 22 48.947 44.563 36.809 168 HH11 ARG 22 1HH1 ARG 22 47.558 43.768 33.675 169 HH12 ARG 22 2HH1 ARG 22 47.698 45.430 33.171 170 HH21 ARG 22 1HH2 ARG 22 48.920 46.564 36.091 171 HH22 ARG 22 2HH2 ARG 22 48.332 46.984 34.531 172 H PHE 23 H PHE 23 45.446 42.907 38.718 173 HA PHE 23 HA PHE 23 44.771 42.752 41.623 174 HB2 PHE 23 HB2 PHE 23 43.119 43.912 39.352 175 HB3 PHE 23 HB1 PHE 23 42.434 43.426 40.883 176 HD1 PHE 23 HD1 PHE 23 42.326 44.943 42.652 177 HD2 PHE 23 HD2 PHE 23 45.094 45.671 39.447 178 HE1 PHE 23 HE1 PHE 23 42.924 47.168 43.627 179 HE2 PHE 23 HE2 PHE 23 45.653 47.875 40.399 180 HZ PHE 23 HZ PHE 23 44.540 48.639 42.472 181 H TYR 24 H TYR 24 43.303 41.190 42.220 182 HA TYR 24 HA TYR 24 42.273 39.395 40.147 183 HB2 TYR 24 HB2 TYR 24 43.673 37.723 40.441 184 HB3 TYR 24 HB1 TYR 24 44.655 38.688 41.494 185 HD1 TYR 24 HD1 TYR 24 43.698 38.879 43.977 186 HD2 TYR 24 HD2 TYR 24 43.098 35.633 41.269 187 HE1 TYR 24 HE1 TYR 24 43.186 37.351 45.925 188 HE2 TYR 24 HE2 TYR 24 42.363 34.188 43.139 189 HH TYR 24 HH TYR 24 42.500 33.909 45.314 190 H TYR 25 H TYR 25 40.543 38.074 40.858 191 HA TYR 25 HA TYR 25 39.119 39.235 43.207 192 HB2 TYR 25 HB2 TYR 25 37.853 39.047 41.086 193 HB3 TYR 25 HB1 TYR 25 38.161 37.326 41.073 194 HD1 TYR 25 HD1 TYR 25 36.950 39.802 43.726 195 HD2 TYR 25 HD2 TYR 25 36.389 36.083 41.688 196 HE1 TYR 25 HE1 TYR 25 34.977 39.300 45.176 197 HE2 TYR 25 HE2 TYR 25 34.327 35.640 42.999 198 HH TYR 25 HH TYR 25 33.073 36.308 44.774 199 H ASN 26 H ASN 26 38.875 38.228 45.107 200 HA ASN 26 HA ASN 26 39.769 35.397 45.332 201 HB2 ASN 26 HB2 ASN 26 41.095 37.028 46.578 202 HB3 ASN 26 HB1 ASN 26 39.655 37.604 47.410 203 HD21 ASN 26 1HD2 ASN 26 40.728 34.212 46.762 204 HD22 ASN 26 2HD2 ASN 26 40.704 33.813 48.469 205 HA PRO 27 HA PRO 27 35.148 35.260 45.798 206 HB2 PRO 27 HB1 PRO 27 35.001 32.494 45.184 207 HB3 PRO 27 HB2 PRO 27 34.715 33.839 44.067 208 HG2 PRO 27 HG1 PRO 27 37.163 32.170 44.436 209 HG3 PRO 27 HG2 PRO 27 36.518 32.945 42.951 210 HD2 PRO 27 HD1 PRO 27 38.670 33.906 44.328 211 HD3 PRO 27 HD2 PRO 27 37.547 34.962 43.442 212 H ALA 28 H ALA 28 37.598 32.946 47.010 213 HA ALA 28 HA ALA 28 36.096 31.687 49.019 214 HB1 ALA 28 HB1 ALA 28 38.277 31.226 50.043 215 HB2 ALA 28 HB2 ALA 28 38.400 31.060 48.281 216 HB3 ALA 28 HB3 ALA 28 39.041 32.507 49.094 217 H SER 29 H SER 29 37.442 34.953 49.052 218 HA SER 29 HA SER 29 36.322 35.397 51.796 219 HB2 SER 29 HB2 SER 29 38.786 35.670 51.532 220 HB3 SER 29 HB1 SER 29 38.475 36.903 50.307 221 HG SER 29 HG SER 29 37.612 37.068 52.998 222 H ASN 30 H ASN 30 35.446 35.777 48.652 223 HA ASN 30 HA ASN 30 34.303 37.232 47.370 224 HB2 ASN 30 HB2 ASN 30 32.702 36.317 49.070 225 HB3 ASN 30 HB1 ASN 30 32.848 37.831 49.955 226 HD21 ASN 30 1HD2 ASN 30 30.419 36.932 49.098 227 HD22 ASN 30 2HD2 ASN 30 29.859 37.990 47.790 228 H LYS 31 H LYS 31 36.658 38.360 47.803 229 HA LYS 31 HA LYS 31 35.997 41.238 47.704 230 HB2 LYS 31 HB2 LYS 31 37.691 41.910 49.339 231 HB3 LYS 31 HB1 LYS 31 36.441 40.906 50.044 232 HG2 LYS 31 HG2 LYS 31 38.250 39.994 51.055 233 HG3 LYS 31 HG1 LYS 31 38.123 38.925 49.656 234 HD2 LYS 31 HD2 LYS 31 39.943 40.232 48.530 235 HD3 LYS 31 HD1 LYS 31 40.019 41.293 49.946 236 HE2 LYS 31 HE2 LYS 31 40.516 39.300 51.369 237 HE3 LYS 31 HE1 LYS 31 40.462 38.268 49.944 238 HZ1 LYS 31 HZ1 LYS 31 42.724 38.882 50.508 239 HZ2 LYS 31 HZ2 LYS 31 42.335 39.520 49.045 240 HZ3 LYS 31 HZ3 LYS 31 42.393 40.489 50.383 241 H CYS 32 H CYS 32 37.411 42.538 46.641 242 HA CYS 32 HA CYS 32 39.289 41.218 44.761 243 HB2 CYS 32 HB2 CYS 32 38.231 44.057 45.006 244 HB3 CYS 32 HB1 CYS 32 39.418 43.538 43.803 245 H LYS 33 H LYS 33 41.507 41.595 44.727 246 HA LYS 33 HA LYS 33 42.677 43.570 46.593 247 HB2 LYS 33 HB2 LYS 33 44.124 42.132 47.705 248 HB3 LYS 33 HB1 LYS 33 42.563 41.347 47.789 249 HG2 LYS 33 HG2 LYS 33 43.664 39.476 47.155 250 HG3 LYS 33 HG1 LYS 33 43.588 40.170 45.533 251 HD2 LYS 33 HD2 LYS 33 45.793 41.252 45.947 252 HD3 LYS 33 HD1 LYS 33 45.900 40.485 47.514 253 HE2 LYS 33 HE2 LYS 33 45.878 39.043 44.810 254 HE3 LYS 33 HE1 LYS 33 47.306 39.472 45.751 255 HZ1 LYS 33 HZ1 LYS 33 46.898 37.254 46.154 256 HZ2 LYS 33 HZ2 LYS 33 46.507 37.976 47.527 257 HZ3 LYS 33 HZ3 LYS 33 45.365 37.375 46.452 258 H GLU 34 H GLU 34 44.847 44.087 46.170 259 HA GLU 34 HA GLU 34 45.552 43.911 43.297 260 HB2 GLU 34 HB2 GLU 34 46.929 45.846 43.665 261 HB3 GLU 34 HB1 GLU 34 45.269 46.166 44.128 262 HG2 GLU 34 HG2 GLU 34 47.543 45.670 46.072 263 HG3 GLU 34 HG1 GLU 34 46.862 47.228 45.642 264 H PHE 35 H PHE 35 47.461 43.028 42.659 265 HA PHE 35 HA PHE 35 49.343 42.036 44.712 266 HB2 PHE 35 HB2 PHE 35 49.501 39.883 43.829 267 HB3 PHE 35 HB1 PHE 35 47.784 40.196 43.977 268 HD1 PHE 35 HD1 PHE 35 46.325 40.069 42.051 269 HD2 PHE 35 HD2 PHE 35 50.578 39.987 41.605 270 HE1 PHE 35 HE1 PHE 35 46.064 39.255 39.691 271 HE2 PHE 35 HE2 PHE 35 50.319 39.283 39.242 272 HZ PHE 35 HZ PHE 35 48.068 38.838 38.313 273 H ILE 36 H ILE 36 51.474 41.538 43.777 274 HA ILE 36 HA ILE 36 52.160 43.517 41.656 275 HB ILE 36 HB ILE 36 53.688 42.241 43.922 276 HG12 ILE 36 2HG1 ILE 36 54.559 44.573 44.081 277 HG13 ILE 36 1HG1 ILE 36 53.547 45.041 42.710 278 HG21 ILE 36 1HG2 ILE 36 55.802 43.198 42.769 279 HG22 ILE 36 2HG2 ILE 36 55.185 41.676 42.152 280 HG23 ILE 36 3HG2 ILE 36 54.806 43.182 41.284 281 HD11 ILE 36 HD1 ILE 36 52.652 45.723 44.931 282 HD12 ILE 36 HD2 ILE 36 51.535 44.687 44.051 283 HD13 ILE 36 HD3 ILE 36 52.514 44.019 45.387 284 H TYR 37 H TYR 37 52.083 42.759 39.669 285 HA TYR 37 HA TYR 37 52.584 39.925 39.083 286 HB2 TYR 37 HB2 TYR 37 50.746 41.025 37.983 287 HB3 TYR 37 HB1 TYR 37 51.764 42.300 37.403 288 HD1 TYR 37 HD1 TYR 37 50.705 38.803 36.928 289 HD2 TYR 37 HD2 TYR 37 53.381 41.890 35.566 290 HE1 TYR 37 HE1 TYR 37 51.162 37.507 34.865 291 HE2 TYR 37 HE2 TYR 37 53.733 40.655 33.444 292 HH TYR 37 HH TYR 37 53.200 38.752 32.223 293 H GLY 38 H GLY 38 54.246 39.055 37.976 294 HA2 GLY 38 HA2 GLY 38 56.761 40.623 37.875 295 HA3 GLY 38 HA1 GLY 38 56.576 38.872 37.727 296 H GLY 39 H GLY 39 55.547 38.060 35.723 297 HA2 GLY 39 HA2 GLY 39 55.290 39.044 33.246 298 HA3 GLY 39 HA1 GLY 39 57.006 39.354 33.479 299 H CYS 40 H CYS 40 55.771 36.450 34.968 300 HA CYS 40 HA CYS 40 57.232 34.846 32.907 301 HB2 CYS 40 HB2 CYS 40 57.008 34.542 35.900 302 HB3 CYS 40 HB1 CYS 40 57.400 33.178 34.848 303 H GLY 41 H GLY 41 54.909 34.078 35.494 304 HA2 GLY 41 HA2 GLY 41 53.196 32.607 33.552 305 HA3 GLY 41 HA1 GLY 41 53.312 32.235 35.278 306 H GLY 42 H GLY 42 50.874 32.584 34.310 307 HA2 GLY 42 HA2 GLY 42 49.686 34.476 35.880 308 HA3 GLY 42 HA1 GLY 42 49.802 35.246 34.279 309 H ASN 43 H ASN 43 47.380 35.044 34.964 310 HA ASN 43 HA ASN 43 46.221 32.818 33.418 311 HB2 ASN 43 HB2 ASN 43 44.680 32.276 35.251 312 HB3 ASN 43 HB1 ASN 43 46.351 32.085 35.788 313 HD21 ASN 43 1HD2 ASN 43 44.910 32.187 37.868 314 HD22 ASN 43 2HD2 ASN 43 44.859 33.771 38.576 315 H ALA 44 H ALA 44 43.674 33.250 33.422 316 HA ALA 44 HA ALA 44 43.202 35.851 32.283 317 HB1 ALA 44 HB1 ALA 44 40.853 35.033 32.161 318 HB2 ALA 44 HB2 ALA 44 42.009 33.831 31.559 319 HB3 ALA 44 HB3 ALA 44 41.295 33.639 33.170 320 H ASN 45 H ASN 45 43.814 35.439 35.459 321 HA ASN 45 HA ASN 45 41.654 37.250 36.430 322 HB2 ASN 45 HB2 ASN 45 41.784 34.863 37.388 323 HB3 ASN 45 HB1 ASN 45 43.276 35.364 38.161 324 HD21 ASN 45 1HD2 ASN 45 41.469 34.504 39.815 325 HD22 ASN 45 2HD2 ASN 45 40.638 35.784 40.667 326 H ASN 46 H ASN 46 43.028 38.850 35.344 327 HA ASN 46 HA ASN 46 45.111 39.937 37.154 328 HB2 ASN 46 HB2 ASN 46 46.683 40.017 35.277 329 HB3 ASN 46 HB1 ASN 46 46.243 38.359 35.650 330 HD21 ASN 46 1HD2 ASN 46 47.354 39.404 33.138 331 HD22 ASN 46 2HD2 ASN 46 46.116 39.022 31.948 332 H PHE 47 H PHE 47 43.391 41.477 37.503 333 HA PHE 47 HA PHE 47 42.768 43.349 35.282 334 HB2 PHE 47 HB2 PHE 47 41.622 42.904 38.063 335 HB3 PHE 47 HB1 PHE 47 41.089 44.199 37.021 336 HD1 PHE 47 HD1 PHE 47 40.873 43.124 34.351 337 HD2 PHE 47 HD2 PHE 47 40.089 41.147 38.110 338 HE1 PHE 47 HE1 PHE 47 39.431 41.509 33.196 339 HE2 PHE 47 HE2 PHE 47 38.647 39.511 36.935 340 HZ PHE 47 HZ PHE 47 38.360 39.674 34.442 341 H GLU 48 H GLU 48 42.444 45.692 36.017 342 HA GLU 48 HA GLU 48 44.897 46.609 37.517 343 HB2 GLU 48 HB2 GLU 48 43.454 47.871 35.177 344 HB3 GLU 48 HB1 GLU 48 44.740 48.653 36.116 345 HG2 GLU 48 HG2 GLU 48 46.203 46.668 35.703 346 HG3 GLU 48 HG1 GLU 48 44.991 46.009 34.614 347 H THR 49 H THR 49 41.602 46.373 37.921 348 HA THR 49 HA THR 49 41.799 48.267 40.171 349 HB THR 49 HB THR 49 39.674 49.353 39.704 350 HG1 THR 49 HG1 THR 49 39.758 48.183 37.149 351 HG21 THR 49 1HG2 THR 49 40.234 50.845 37.911 352 HG22 THR 49 2HG2 THR 49 41.691 50.502 38.859 353 HG23 THR 49 3HG2 THR 49 41.454 49.721 37.282 354 H ARG 50 H ARG 50 40.033 48.171 41.663 355 HA ARG 50 HA ARG 50 39.102 45.450 42.195 356 HB2 ARG 50 HB2 ARG 50 38.415 48.064 43.617 357 HB3 ARG 50 HB1 ARG 50 38.098 46.430 44.218 358 HG2 ARG 50 HG2 ARG 50 40.549 45.962 44.278 359 HG3 ARG 50 HG1 ARG 50 40.839 47.586 43.625 360 HD2 ARG 50 HD2 ARG 50 41.303 47.613 45.955 361 HD3 ARG 50 HD1 ARG 50 39.901 48.642 45.601 362 HE ARG 50 HE ARG 50 39.074 45.976 46.369 363 HH11 ARG 50 1HH1 ARG 50 40.701 48.667 47.854 364 HH12 ARG 50 2HH1 ARG 50 40.001 48.403 49.407 365 HH21 ARG 50 1HH2 ARG 50 38.274 45.600 48.430 366 HH22 ARG 50 2HH2 ARG 50 38.631 46.719 49.714 367 H ALA 51 H ALA 51 37.607 48.386 40.901 368 HA ALA 51 HA ALA 51 34.860 47.529 41.133 369 HB1 ALA 51 HB1 ALA 51 34.448 49.406 39.589 370 HB2 ALA 51 HB2 ALA 51 35.529 49.895 40.905 371 HB3 ALA 51 HB3 ALA 51 36.189 49.558 39.288 372 H GLU 52 H GLU 52 37.327 47.232 38.530 373 HA GLU 52 HA GLU 52 35.689 45.781 36.674 374 HB2 GLU 52 HB2 GLU 52 37.711 46.866 36.012 375 HB3 GLU 52 HB1 GLU 52 38.663 45.985 37.231 376 HG2 GLU 52 HG2 GLU 52 38.391 43.906 36.085 377 HG3 GLU 52 HG1 GLU 52 37.195 44.597 34.974 378 H CYS 53 H CYS 53 38.189 44.559 38.968 379 HA CYS 53 HA CYS 53 37.837 41.869 38.718 380 HB2 CYS 53 HB2 CYS 53 39.536 42.484 40.124 381 HB3 CYS 53 HB1 CYS 53 38.595 43.706 40.960 382 H ARG 54 H ARG 54 35.769 43.902 40.852 383 HA ARG 54 HA ARG 54 34.085 41.618 41.547 384 HB2 ARG 54 HB2 ARG 54 32.586 43.183 42.594 385 HB3 ARG 54 HB1 ARG 54 34.243 43.501 43.093 386 HG2 ARG 54 HG2 ARG 54 34.252 45.596 42.184 387 HG3 ARG 54 HG1 ARG 54 33.360 45.097 40.752 388 HD2 ARG 54 HD2 ARG 54 32.082 46.700 41.944 389 HD3 ARG 54 HD1 ARG 54 31.269 45.122 41.946 390 HE ARG 54 HE ARG 54 32.859 45.267 44.272 391 HH11 ARG 54 1HH1 ARG 54 30.034 46.849 42.996 392 HH12 ARG 54 2HH1 ARG 54 29.379 47.235 44.562 393 HH21 ARG 54 1HH2 ARG 54 32.005 45.771 46.271 394 HH22 ARG 54 2HH2 ARG 54 30.516 46.657 46.377 395 H HIS 55 H HIS 55 33.917 44.006 38.901 396 HA HIS 55 HA HIS 55 31.183 43.260 38.168 397 HB2 HIS 55 HB2 HIS 55 32.170 45.489 37.665 398 HB3 HIS 55 HB1 HIS 55 33.359 44.723 36.611 399 HD1 HIS 55 HD1 HIS 55 32.547 44.123 34.175 400 HD2 HIS 55 HD2 HIS 55 29.508 45.368 36.837 401 HE1 HIS 55 HE1 HIS 55 30.422 44.450 32.749 402 HE2 HIS 55 HE2 HIS 55 28.580 45.221 34.368 403 H THR 56 H THR 56 34.380 41.958 37.455 404 HA THR 56 HA THR 56 33.572 40.304 35.283 405 HB THR 56 HB THR 56 35.813 39.901 37.302 406 HG1 THR 56 HG1 THR 56 36.976 41.040 35.634 407 HG21 THR 56 1HG2 THR 56 36.886 38.589 35.585 408 HG22 THR 56 2HG2 THR 56 35.304 37.880 35.846 409 HG23 THR 56 3HG2 THR 56 35.584 38.911 34.418 410 H CYS 57 H CYS 57 33.970 39.426 38.760 411 HA CYS 57 HA CYS 57 32.455 36.928 38.150 412 HB2 CYS 57 HB2 CYS 57 34.831 37.022 39.159 413 HB3 CYS 57 HB1 CYS 57 34.007 37.331 40.685 414 H VAL 58 H VAL 58 32.384 39.679 40.384 415 HA VAL 58 HA VAL 58 29.974 38.626 41.720 416 HB VAL 58 HB VAL 58 31.231 41.312 42.356 417 HG11 VAL 58 1HG1 VAL 58 30.277 40.834 44.560 418 HG12 VAL 58 2HG1 VAL 58 29.009 40.733 43.329 419 HG13 VAL 58 3HG1 VAL 58 29.704 39.242 44.008 420 HG21 VAL 58 1HG2 VAL 58 32.515 40.139 44.150 421 HG22 VAL 58 2HG2 VAL 58 32.078 38.597 43.396 422 HG23 VAL 58 3HG2 VAL 58 33.104 39.763 42.529 423 H ALA 59 H ALA 59 29.314 38.771 39.250 424 HA ALA 59 HA ALA 59 27.848 41.320 38.793 425 HB1 ALA 59 HB1 ALA 59 27.718 40.603 36.450 426 HB2 ALA 59 HB2 ALA 59 29.405 40.673 37.010 427 HB3 ALA 59 HB3 ALA 59 28.583 39.100 36.851 428 H SER 60 H SER 60 25.656 41.116 37.961 429 HA SER 60 HA SER 60 23.477 40.539 38.355 430 HB2 SER 60 HB2 SER 60 24.220 39.130 36.447 431 HB3 SER 60 HB1 SER 60 24.464 37.786 37.591 432 HG SER 60 HG SER 60 22.401 37.716 36.683 433 H ARG 61 H ARG 61 24.043 40.956 40.790 434 HA ARG 61 HA ARG 61 22.857 38.660 42.233 435 HB2 ARG 61 HB2 ARG 61 25.308 38.481 42.534 436 HB3 ARG 61 HB1 ARG 61 25.355 40.129 43.157 437 HG2 ARG 61 HG2 ARG 61 25.452 38.581 45.009 438 HG3 ARG 61 HG1 ARG 61 23.905 39.426 45.072 439 HD2 ARG 61 HD2 ARG 61 22.896 37.377 43.871 440 HD3 ARG 61 HD1 ARG 61 24.440 36.581 44.147 441 HE ARG 61 HE ARG 61 23.349 37.696 46.592 442 HH11 ARG 61 1HH1 ARG 61 23.047 34.879 44.493 443 HH12 ARG 61 2HH1 ARG 61 22.369 33.915 45.760 444 HH21 ARG 61 1HH2 ARG 61 22.459 36.377 48.165 445 HH22 ARG 61 2HH2 ARG 61 22.024 34.746 47.765 446 H LYS 62 H LYS 62 21.241 39.181 43.404 447 HA LYS 62 HA LYS 62 20.894 41.889 44.597 448 HB2 LYS 62 HB2 LYS 62 18.411 41.606 43.877 449 HB3 LYS 62 HB1 LYS 62 19.610 42.240 42.779 450 HG2 LYS 62 HG2 LYS 62 18.091 40.757 41.624 451 HG3 LYS 62 HG1 LYS 62 19.746 40.168 41.541 452 HD2 LYS 62 HD2 LYS 62 19.194 38.455 43.301 453 HD3 LYS 62 HD1 LYS 62 17.560 39.113 43.384 454 HE2 LYS 62 HE2 LYS 62 17.486 37.133 42.038 455 HE3 LYS 62 HE1 LYS 62 17.195 38.532 41.009 456 HZ1 LYS 62 HZ1 LYS 62 18.695 36.987 39.962 457 HZ2 LYS 62 HZ2 LYS 62 19.503 38.364 40.237 458 HZ3 LYS 62 HZ3 LYS 62 19.762 37.034 41.180 459 H GLY 63 H GLY 63 21.678 40.733 46.506 460 HA2 GLY 63 HA2 GLY 63 19.414 39.661 48.033 461 HA3 GLY 63 HA1 GLY 63 20.744 38.516 47.814 462 H GLY 64 H GLY 64 19.508 40.852 49.797 463 HA2 GLY 64 HA2 GLY 64 20.644 41.236 51.973 464 HA3 GLY 64 HA1 GLY 64 22.129 41.508 51.087 465 HA PRO 65 HA PRO 65 19.366 45.430 50.473 466 HB2 PRO 65 HB1 PRO 65 17.606 46.069 52.444 467 HB3 PRO 65 HB2 PRO 65 17.206 44.891 51.169 468 HG2 PRO 65 HG1 PRO 65 18.202 44.296 53.967 469 HG3 PRO 65 HG2 PRO 65 16.800 43.579 53.117 470 HD2 PRO 65 HD1 PRO 65 19.251 42.382 53.200 471 HD3 PRO 65 HD2 PRO 65 18.167 42.230 51.774 472 H ARG 66 H ARG 66 21.608 45.969 50.867 473 HA ARG 66 HA ARG 66 23.386 47.062 51.913 474 HB2 ARG 66 HB2 ARG 66 21.700 48.906 51.753 475 HB3 ARG 66 HB1 ARG 66 21.161 48.509 53.382 476 HG2 ARG 66 HG2 ARG 66 23.573 48.996 54.181 477 HG3 ARG 66 HG1 ARG 66 23.887 49.599 52.549 478 HD2 ARG 66 HD2 ARG 66 22.056 51.249 52.807 479 HD3 ARG 66 HD1 ARG 66 21.672 50.557 54.407 480 HE ARG 66 HE ARG 66 24.430 51.397 54.286 481 HH11 ARG 66 1HH1 ARG 66 21.199 52.596 54.879 482 HH12 ARG 66 2HH1 ARG 66 21.760 53.959 55.789 483 HH21 ARG 66 1HH2 ARG 66 25.093 53.185 55.460 484 HH22 ARG 66 2HH2 ARG 66 23.922 54.278 56.094 485 H ARG 67 H ARG 67 23.663 44.810 52.837 486 HA ARG 67 HA ARG 67 23.320 44.301 55.587 487 HB2 ARG 67 HB2 ARG 67 24.932 42.600 55.436 488 HB3 ARG 67 HB1 ARG 67 24.154 42.625 53.864 489 HG2 ARG 67 HG2 ARG 67 26.912 43.769 54.547 490 HG3 ARG 67 HG1 ARG 67 26.573 42.262 53.708 491 HD2 ARG 67 HD2 ARG 67 25.424 43.571 51.889 492 HD3 ARG 67 HD1 ARG 67 25.913 45.054 52.729 493 HE ARG 67 HE ARG 67 28.086 43.203 52.111 494 HH11 ARG 67 1HH1 ARG 67 26.532 46.187 51.373 495 HH12 ARG 67 2HH1 ARG 67 27.776 46.751 50.321 496 HH21 ARG 67 1HH2 ARG 67 29.723 43.950 50.830 497 HH22 ARG 67 2HH2 ARG 67 29.616 45.522 50.100 498 HA PRO 68 HA PRO 68 26.122 47.107 57.644 499 HB2 PRO 68 HB1 PRO 68 26.539 45.794 60.002 500 HB3 PRO 68 HB2 PRO 68 24.974 46.546 59.586 501 HG2 PRO 68 HG1 PRO 68 25.792 43.632 59.296 502 HG3 PRO 68 HG2 PRO 68 24.293 44.297 60.020 503 HD2 PRO 68 HD1 PRO 68 24.395 43.406 57.458 504 HD3 PRO 68 HD2 PRO 68 23.386 44.809 57.913 Start of MODEL 2 1 H PCA 1 H PGA 1 28.040 28.510 37.540 2 HA PCA 1 HA PGA 1 26.610 28.460 39.630 3 HB2 PCA 1 HB1 PGA 1 27.980 29.960 41.510 4 HB3 PCA 1 HB2 PGA 1 28.260 28.220 41.240 5 HG2 PCA 1 HG1 PGA 1 29.920 30.540 40.230 6 HG3 PCA 1 HG2 PGA 1 30.450 28.900 40.780 7 H ASP 2 H ASP 2 28.090 31.570 40.200 8 HA ASP 2 HA ASP 2 25.930 32.980 38.680 9 HB2 ASP 2 HB2 ASP 2 27.490 33.830 41.150 10 HB3 ASP 2 HB1 ASP 2 26.110 34.660 40.440 11 H ARG 3 H ARG 3 29.330 32.670 39.020 12 HA ARG 3 HA ARG 3 29.970 35.100 37.440 13 HB2 ARG 3 HB2 ARG 3 31.660 34.360 39.840 14 HB3 ARG 3 HB1 ARG 3 31.550 35.900 38.990 15 HG2 ARG 3 HG2 ARG 3 29.390 36.390 40.010 16 HG3 ARG 3 HG1 ARG 3 29.430 34.830 40.860 17 HD2 ARG 3 HD2 ARG 3 31.510 35.420 41.970 18 HD3 ARG 3 HD1 ARG 3 31.510 37.000 41.210 19 HE ARG 3 HE ARG 3 29.220 37.300 42.350 20 HH11 ARG 3 1HH1 ARG 3 31.360 35.020 43.860 21 HH12 ARG 3 2HH1 ARG 3 30.950 35.560 45.470 22 HH21 ARG 3 1HH2 ARG 3 28.600 37.730 44.510 23 HH22 ARG 3 2HH2 ARG 3 29.580 37.080 45.810 24 HA PRO 4 HA PRO 4 32.620 32.280 35.430 25 HB2 PRO 4 HB1 PRO 4 35.100 33.420 35.080 26 HB3 PRO 4 HB2 PRO 4 33.630 33.880 34.160 27 HG2 PRO 4 HG1 PRO 4 34.880 35.250 36.520 28 HG3 PRO 4 HG2 PRO 4 34.150 35.970 35.060 29 HD2 PRO 4 HD1 PRO 4 32.870 35.770 37.460 30 HD3 PRO 4 HD2 PRO 4 31.980 35.750 35.910 31 H LYS 5 H LYS 5 33.770 30.490 35.840 32 HA LYS 5 HA LYS 5 34.710 29.890 38.430 33 HB2 LYS 5 HB2 LYS 5 35.300 27.770 37.620 34 HB3 LYS 5 HB1 LYS 5 33.880 28.260 36.700 35 HG2 LYS 5 HG2 LYS 5 35.410 28.930 34.800 36 HG3 LYS 5 HG1 LYS 5 36.790 28.350 35.750 37 HD2 LYS 5 HD2 LYS 5 35.710 26.090 35.870 38 HD3 LYS 5 HD1 LYS 5 34.480 26.660 34.730 39 HE2 LYS 5 HE2 LYS 5 37.510 26.580 34.250 40 HE3 LYS 5 HE1 LYS 5 36.350 25.380 33.660 41 HZ1 LYS 5 HZ1 LYS 5 36.870 26.980 31.940 42 HZ2 LYS 5 HZ2 LYS 5 35.290 27.120 32.350 43 HZ3 LYS 5 HZ3 LYS 5 36.380 28.250 32.870 44 H PHE 6 H PHE 6 36.540 31.360 35.810 45 HA PHE 6 HA PHE 6 39.140 30.540 36.770 46 HB2 PHE 6 HB2 PHE 6 40.030 32.330 35.360 47 HB3 PHE 6 HB1 PHE 6 38.930 31.270 34.500 48 HD1 PHE 6 HD1 PHE 6 38.880 34.550 36.430 49 HD2 PHE 6 HD2 PHE 6 37.470 32.330 33.000 50 HE1 PHE 6 HE1 PHE 6 37.610 36.500 35.690 51 HE2 PHE 6 HE2 PHE 6 36.250 34.350 32.220 52 HZ PHE 6 HZ PHE 6 36.300 36.430 33.570 53 H CYS 7 H CYS 7 36.850 32.840 38.010 54 HA CYS 7 HA CYS 7 38.580 34.530 39.470 55 HB2 CYS 7 HB2 CYS 7 35.800 33.450 39.960 56 HB3 CYS 7 HB1 CYS 7 36.620 34.540 41.050 57 H TYR 8 H TYR 8 37.730 31.110 40.020 58 HA TYR 8 HA TYR 8 38.490 31.140 42.860 59 HB2 TYR 8 HB2 TYR 8 37.890 28.920 40.880 60 HB3 TYR 8 HB1 TYR 8 38.320 28.650 42.560 61 HD1 TYR 8 HD1 TYR 8 35.770 30.480 40.450 62 HD2 TYR 8 HD2 TYR 8 36.670 28.560 44.210 63 HE1 TYR 8 HE1 TYR 8 33.390 30.710 41.130 64 HE2 TYR 8 HE2 TYR 8 34.290 28.780 44.880 65 HH TYR 8 HH TYR 8 32.190 29.450 44.230 66 H LEU 9 H LEU 9 40.260 31.120 39.940 67 HA LEU 9 HA LEU 9 42.530 29.530 40.830 68 HB2 LEU 9 HB2 LEU 9 42.270 31.640 38.660 69 HB3 LEU 9 HB1 LEU 9 43.630 30.560 38.870 70 HG LEU 9 HG LEU 9 40.810 29.520 38.330 71 HD11 LEU 9 1HD1 LEU 9 41.430 29.310 36.000 72 HD12 LEU 9 2HD1 LEU 9 41.580 31.020 36.500 73 HD13 LEU 9 3HD1 LEU 9 43.030 30.020 36.320 74 HD21 LEU 9 1HD2 LEU 9 42.030 27.500 37.590 75 HD22 LEU 9 2HD2 LEU 9 43.580 28.270 38.010 76 HD23 LEU 9 3HD2 LEU 9 42.400 27.870 39.270 77 HA PRO 10 HA PRO 10 43.930 32.770 43.720 78 HB2 PRO 10 HB1 PRO 10 46.480 31.240 43.240 79 HB3 PRO 10 HB2 PRO 10 45.830 31.910 44.780 80 HG2 PRO 10 HG1 PRO 10 45.510 29.280 44.230 81 HG3 PRO 10 HG2 PRO 10 44.110 30.220 44.850 82 HD2 PRO 10 HD1 PRO 10 44.750 29.460 41.990 83 HD3 PRO 10 HD2 PRO 10 43.200 29.340 42.870 84 H ASP 11 H ASP 11 45.780 34.460 43.730 85 HA ASP 11 HA ASP 11 45.790 35.770 41.180 86 HB2 ASP 11 HB2 ASP 11 47.380 37.320 42.160 87 HB3 ASP 11 HB1 ASP 11 45.990 37.070 43.200 88 H ASP 12 H ASP 12 46.990 35.470 39.470 89 HA ASP 12 HA ASP 12 49.470 33.800 39.680 90 HB2 ASP 12 HB2 ASP 12 47.510 32.680 38.630 91 HB3 ASP 12 HB1 ASP 12 47.510 33.930 37.380 92 HA PRO 13 HA PRO 13 50.800 37.940 37.990 93 HB2 PRO 13 HB1 PRO 13 53.130 38.010 39.550 94 HB3 PRO 13 HB2 PRO 13 51.570 38.740 39.990 95 HG2 PRO 13 HG1 PRO 13 52.660 36.090 40.880 96 HG3 PRO 13 HG2 PRO 13 51.860 37.360 41.860 97 HD2 PRO 13 HD1 PRO 13 50.540 35.180 40.980 98 HD3 PRO 13 HD2 PRO 13 49.730 36.780 41.040 99 H GLY 14 H GLY 14 51.740 34.730 38.020 100 HA2 GLY 14 HA2 GLY 14 53.000 33.500 36.550 101 HA3 GLY 14 HA1 GLY 14 53.620 34.980 35.810 102 H VAL 15 H VAL 15 55.750 34.340 35.870 103 HA VAL 15 HA VAL 15 57.060 34.060 38.550 104 HB VAL 15 HB VAL 15 58.690 32.590 37.470 105 HG11 VAL 15 1HG1 VAL 15 57.270 30.640 37.240 106 HG12 VAL 15 2HG1 VAL 15 56.660 31.660 38.560 107 HG13 VAL 15 3HG1 VAL 15 55.830 31.640 36.980 108 HG21 VAL 15 1HG2 VAL 15 58.300 31.700 35.220 109 HG22 VAL 15 2HG2 VAL 15 56.900 32.750 34.990 110 HG23 VAL 15 3HG2 VAL 15 58.550 33.440 35.140 111 H CYS 16 H CYS 16 56.690 36.450 36.570 112 HA CYS 16 HA CYS 16 59.500 37.090 35.910 113 HB2 CYS 16 HB2 CYS 16 56.860 38.060 35.110 114 HB3 CYS 16 HB1 CYS 16 57.980 39.380 35.430 115 H LYS 17 H LYS 17 60.650 38.760 36.690 116 HA LYS 17 HA LYS 17 60.000 39.660 39.430 117 HB2 LYS 17 HB2 LYS 17 62.340 40.140 39.630 118 HB3 LYS 17 HB1 LYS 17 62.120 38.510 38.980 119 HG2 LYS 17 HG2 LYS 17 62.480 39.510 36.640 120 HG3 LYS 17 HG1 LYS 17 62.970 41.010 37.430 121 HD2 LYS 17 HD2 LYS 17 64.310 38.290 37.850 122 HD3 LYS 17 HD1 LYS 17 64.820 39.500 36.690 123 HE2 LYS 17 HE2 LYS 17 66.260 39.770 38.520 124 HE3 LYS 17 HE1 LYS 17 65.160 41.150 38.550 125 HZ1 LYS 17 HZ1 LYS 17 65.520 40.140 40.750 126 HZ2 LYS 17 HZ2 LYS 17 63.940 40.050 40.330 127 HZ3 LYS 17 HZ3 LYS 17 64.890 38.710 40.240 128 H ALA 18 H ALA 18 58.710 40.940 37.080 129 HA ALA 18 HA ALA 18 59.840 43.660 37.010 130 HB1 ALA 18 HB1 ALA 18 58.210 44.110 35.320 131 HB2 ALA 18 HB2 ALA 18 58.870 42.500 34.980 132 HB3 ALA 18 HB3 ALA 18 57.280 42.670 35.750 133 H HIS 19 H HIS 19 57.230 45.000 36.900 134 HA HIS 19 HA HIS 19 56.010 44.580 39.520 135 HB2 HIS 19 HB2 HIS 19 58.210 45.840 39.920 136 HB3 HIS 19 HB1 HIS 19 57.520 47.200 39.070 137 HD1 HIS 19 HD1 HIS 19 57.950 45.970 42.420 138 HD2 HIS 19 HD2 HIS 19 54.900 47.940 40.280 139 HE1 HIS 19 HE1 HIS 19 56.440 47.110 44.200 140 HE2 HIS 19 HE2 HIS 19 54.560 48.280 42.870 141 H ILE 20 H ILE 20 54.010 44.460 38.400 142 HA ILE 20 HA ILE 20 53.050 47.100 37.390 143 HB ILE 20 HB ILE 20 52.130 44.430 36.320 144 HG12 ILE 20 2HG1 ILE 20 54.390 46.190 35.350 145 HG13 ILE 20 1HG1 ILE 20 54.440 44.480 35.750 146 HG21 ILE 20 1HG2 ILE 20 51.230 45.880 34.510 147 HG22 ILE 20 2HG2 ILE 20 50.570 46.330 36.080 148 HG23 ILE 20 3HG2 ILE 20 51.870 47.300 35.340 149 HD11 ILE 20 HD1 ILE 20 54.560 44.610 33.400 150 HD12 ILE 20 HD2 ILE 20 52.890 44.110 33.730 151 HD13 ILE 20 HD3 ILE 20 53.250 45.790 33.300 152 HA PRO 21 HA PRO 21 50.150 46.410 40.840 153 HB2 PRO 21 HB1 PRO 21 48.510 48.590 40.390 154 HB3 PRO 21 HB2 PRO 21 50.070 48.650 41.260 155 HG2 PRO 21 HG1 PRO 21 49.530 49.280 38.340 156 HG3 PRO 21 HG2 PRO 21 50.490 50.230 39.520 157 HD2 PRO 21 HD1 PRO 21 51.660 48.580 37.740 158 HD3 PRO 21 HD2 PRO 21 52.290 48.690 39.410 159 H ARG 22 H ARG 22 48.740 44.820 40.670 160 HA ARG 22 HA ARG 22 46.640 44.890 38.580 161 HB2 ARG 22 HB2 ARG 22 48.770 43.440 38.030 162 HB3 ARG 22 HB1 ARG 22 48.190 42.370 39.290 163 HG2 ARG 22 HG2 ARG 22 47.490 41.520 37.140 164 HG3 ARG 22 HG1 ARG 22 46.050 42.060 37.980 165 HD2 ARG 22 HD2 ARG 22 45.870 42.790 35.710 166 HD3 ARG 22 HD1 ARG 22 46.210 44.230 36.660 167 HE ARG 22 HE ARG 22 48.560 42.900 35.520 168 HH11 ARG 22 1HH1 ARG 22 46.140 45.370 34.960 169 HH12 ARG 22 2HH1 ARG 22 47.060 46.170 33.740 170 HH21 ARG 22 1HH2 ARG 22 49.680 43.910 33.890 171 HH22 ARG 22 2HH2 ARG 22 49.030 45.360 33.160 172 H PHE 23 H PHE 23 44.900 43.330 39.060 173 HA PHE 23 HA PHE 23 44.540 42.850 41.970 174 HB2 PHE 23 HB2 PHE 23 42.650 44.240 40.040 175 HB3 PHE 23 HB1 PHE 23 42.130 43.580 41.590 176 HD1 PHE 23 HD1 PHE 23 42.270 44.920 43.530 177 HD2 PHE 23 HD2 PHE 23 44.620 45.980 40.070 178 HE1 PHE 23 HE1 PHE 23 42.940 47.080 44.610 179 HE2 PHE 23 HE2 PHE 23 45.260 48.100 41.140 180 HZ PHE 23 HZ PHE 23 44.410 48.670 43.400 181 H TYR 24 H TYR 24 43.030 41.220 42.480 182 HA TYR 24 HA TYR 24 41.960 39.530 40.300 183 HB2 TYR 24 HB2 TYR 24 43.450 37.920 40.450 184 HB3 TYR 24 HB1 TYR 24 44.420 38.880 41.520 185 HD1 TYR 24 HD1 TYR 24 43.590 38.850 44.050 186 HD2 TYR 24 HD2 TYR 24 43.030 35.780 41.130 187 HE1 TYR 24 HE1 TYR 24 43.290 37.120 45.880 188 HE2 TYR 24 HE2 TYR 24 42.470 34.150 42.920 189 HH TYR 24 HH TYR 24 42.490 33.750 45.160 190 H TYR 25 H TYR 25 40.360 37.970 41.140 191 HA TYR 25 HA TYR 25 39.030 39.020 43.600 192 HB2 TYR 25 HB2 TYR 25 37.510 38.880 41.630 193 HB3 TYR 25 HB1 TYR 25 37.910 37.180 41.460 194 HD1 TYR 25 HD1 TYR 25 37.040 39.440 44.380 195 HD2 TYR 25 HD2 TYR 25 35.950 36.080 41.960 196 HE1 TYR 25 HE1 TYR 25 35.060 39.010 45.850 197 HE2 TYR 25 HE2 TYR 25 34.000 35.610 43.420 198 HH TYR 25 HH TYR 25 32.770 36.390 45.200 199 H ASN 26 H ASN 26 39.030 37.830 45.440 200 HA ASN 26 HA ASN 26 39.930 35.000 45.280 201 HB2 ASN 26 HB2 ASN 26 41.240 36.600 46.720 202 HB3 ASN 26 HB1 ASN 26 39.790 36.820 47.710 203 HD21 ASN 26 1HD2 ASN 26 40.730 35.910 49.570 204 HD22 ASN 26 2HD2 ASN 26 41.160 34.200 49.610 205 HA PRO 27 HA PRO 27 35.390 34.470 46.060 206 HB2 PRO 27 HB1 PRO 27 36.180 31.720 45.130 207 HB3 PRO 27 HB2 PRO 27 34.710 32.660 44.740 208 HG2 PRO 27 HG1 PRO 27 36.710 32.440 42.960 209 HG3 PRO 27 HG2 PRO 27 35.890 33.990 43.180 210 HD2 PRO 27 HD1 PRO 27 38.570 33.130 44.310 211 HD3 PRO 27 HD2 PRO 27 38.050 34.690 43.590 212 H ALA 28 H ALA 28 38.300 32.700 47.110 213 HA ALA 28 HA ALA 28 37.080 31.040 49.060 214 HB1 ALA 28 HB1 ALA 28 39.300 30.750 49.910 215 HB2 ALA 28 HB2 ALA 28 39.450 30.890 48.150 216 HB3 ALA 28 HB3 ALA 28 39.860 32.270 49.210 217 H SER 29 H SER 29 37.540 34.490 49.110 218 HA SER 29 HA SER 29 36.230 34.510 51.770 219 HB2 SER 29 HB2 SER 29 37.660 36.270 52.620 220 HB3 SER 29 HB1 SER 29 38.580 34.810 52.260 221 HG SER 29 HG SER 29 39.650 36.610 51.600 222 H ASN 30 H ASN 30 35.590 35.140 48.820 223 HA ASN 30 HA ASN 30 34.570 36.700 47.550 224 HB2 ASN 30 HB2 ASN 30 32.850 35.810 49.130 225 HB3 ASN 30 HB1 ASN 30 33.080 37.220 50.150 226 HD21 ASN 30 1HD2 ASN 30 32.530 39.340 49.130 227 HD22 ASN 30 2HD2 ASN 30 31.100 39.320 48.080 228 H LYS 31 H LYS 31 37.010 37.700 48.170 229 HA LYS 31 HA LYS 31 36.510 40.640 48.260 230 HB2 LYS 31 HB2 LYS 31 36.790 40.270 50.500 231 HB3 LYS 31 HB1 LYS 31 37.970 39.000 50.310 232 HG2 LYS 31 HG2 LYS 31 38.730 41.850 49.540 233 HG3 LYS 31 HG1 LYS 31 38.600 41.380 51.230 234 HD2 LYS 31 HD2 LYS 31 40.130 39.350 50.600 235 HD3 LYS 31 HD1 LYS 31 40.560 40.310 49.180 236 HE2 LYS 31 HE2 LYS 31 41.340 42.140 50.590 237 HE3 LYS 31 HE1 LYS 31 40.660 41.370 52.030 238 HZ1 LYS 31 HZ1 LYS 31 43.030 40.980 51.910 239 HZ2 LYS 31 HZ2 LYS 31 42.240 39.550 51.760 240 HZ3 LYS 31 HZ3 LYS 31 42.890 40.260 50.430 241 H CYS 32 H CYS 32 37.670 41.760 46.870 242 HA CYS 32 HA CYS 32 39.690 40.480 45.220 243 HB2 CYS 32 HB2 CYS 32 39.050 43.430 45.360 244 HB3 CYS 32 HB1 CYS 32 39.750 42.540 44.010 245 H LYS 33 H LYS 33 41.920 41.070 45.060 246 HA LYS 33 HA LYS 33 42.990 42.980 47.090 247 HB2 LYS 33 HB2 LYS 33 44.880 41.590 47.660 248 HB3 LYS 33 HB1 LYS 33 43.380 40.760 48.090 249 HG2 LYS 33 HG2 LYS 33 43.500 39.340 46.190 250 HG3 LYS 33 HG1 LYS 33 44.910 40.170 45.510 251 HD2 LYS 33 HD2 LYS 33 45.040 38.790 48.220 252 HD3 LYS 33 HD1 LYS 33 45.210 37.900 46.720 253 HE2 LYS 33 HE2 LYS 33 47.380 38.320 47.490 254 HE3 LYS 33 HE1 LYS 33 47.110 39.190 46.010 255 HZ1 LYS 33 HZ1 LYS 33 48.300 40.440 47.720 256 HZ2 LYS 33 HZ2 LYS 33 47.040 41.250 47.180 257 HZ3 LYS 33 HZ3 LYS 33 46.980 40.500 48.680 258 H GLU 34 H GLU 34 44.990 43.910 46.570 259 HA GLU 34 HA GLU 34 45.620 44.060 43.710 260 HB2 GLU 34 HB2 GLU 34 45.420 46.090 45.180 261 HB3 GLU 34 HB1 GLU 34 46.840 45.520 46.060 262 HG2 GLU 34 HG2 GLU 34 48.150 45.610 43.930 263 HG3 GLU 34 HG1 GLU 34 46.720 46.210 43.090 264 H PHE 35 H PHE 35 47.310 42.970 42.850 265 HA PHE 35 HA PHE 35 49.390 41.780 44.570 266 HB2 PHE 35 HB2 PHE 35 49.390 39.710 43.500 267 HB3 PHE 35 HB1 PHE 35 47.690 39.990 43.830 268 HD1 PHE 35 HD1 PHE 35 46.110 40.130 41.980 269 HD2 PHE 35 HD2 PHE 35 50.320 39.970 41.230 270 HE1 PHE 35 HE1 PHE 35 45.660 39.560 39.580 271 HE2 PHE 35 HE2 PHE 35 49.870 39.560 38.820 272 HZ PHE 35 HZ PHE 35 47.550 39.250 38.010 273 H ILE 36 H ILE 36 51.440 41.520 43.360 274 HA ILE 36 HA ILE 36 51.650 43.610 41.220 275 HB ILE 36 HB ILE 36 53.690 42.420 43.110 276 HG12 ILE 36 2HG1 ILE 36 52.490 44.350 43.980 277 HG13 ILE 36 1HG1 ILE 36 54.140 44.810 43.600 278 HG21 ILE 36 1HG2 ILE 36 55.390 43.820 41.850 279 HG22 ILE 36 2HG2 ILE 36 54.860 42.350 41.030 280 HG23 ILE 36 3HG2 ILE 36 54.200 43.920 40.530 281 HD11 ILE 36 HD1 ILE 36 52.730 46.610 42.910 282 HD12 ILE 36 HD2 ILE 36 53.240 45.820 41.400 283 HD13 ILE 36 HD3 ILE 36 51.620 45.530 42.080 284 H TYR 37 H TYR 37 51.550 43.040 39.290 285 HA TYR 37 HA TYR 37 52.070 40.290 38.410 286 HB2 TYR 37 HB2 TYR 37 50.100 41.480 37.650 287 HB3 TYR 37 HB1 TYR 37 51.050 42.780 37.020 288 HD1 TYR 37 HD1 TYR 37 49.880 39.340 36.470 289 HD2 TYR 37 HD2 TYR 37 52.460 42.460 34.990 290 HE1 TYR 37 HE1 TYR 37 50.060 38.170 34.300 291 HE2 TYR 37 HE2 TYR 37 52.550 41.340 32.770 292 HH TYR 37 HH TYR 37 51.850 39.510 31.520 293 H GLY 38 H GLY 38 53.570 39.620 36.980 294 HA2 GLY 38 HA2 GLY 38 56.040 41.260 36.770 295 HA3 GLY 38 HA1 GLY 38 55.880 39.530 36.520 296 H GLY 39 H GLY 39 54.620 38.850 34.550 297 HA2 GLY 39 HA2 GLY 39 54.130 39.890 32.190 298 HA3 GLY 39 HA1 GLY 39 55.810 40.410 32.280 299 H CYS 40 H CYS 40 55.570 37.390 33.770 300 HA CYS 40 HA CYS 40 56.650 36.050 31.340 301 HB2 CYS 40 HB2 CYS 40 56.810 35.410 34.300 302 HB3 CYS 40 HB1 CYS 40 57.360 34.330 33.040 303 H GLY 41 H GLY 41 53.670 36.320 32.870 304 HA2 GLY 41 HA2 GLY 41 52.280 34.360 31.530 305 HA3 GLY 41 HA1 GLY 41 52.830 33.570 33.010 306 H GLY 42 H GLY 42 50.200 33.740 32.760 307 HA2 GLY 42 HA2 GLY 42 49.330 34.930 35.060 308 HA3 GLY 42 HA1 GLY 42 48.940 36.110 33.800 309 H ASN 43 H ASN 43 47.010 34.850 35.350 310 HA ASN 43 HA ASN 43 45.690 32.950 33.480 311 HB2 ASN 43 HB2 ASN 43 44.390 32.230 35.380 312 HB3 ASN 43 HB1 ASN 43 46.100 32.230 35.810 313 HD21 ASN 43 1HD2 ASN 43 44.710 32.100 37.940 314 HD22 ASN 43 2HD2 ASN 43 44.590 33.620 38.750 315 H ALA 44 H ALA 44 43.190 33.130 33.590 316 HA ALA 44 HA ALA 44 42.380 35.680 32.530 317 HB1 ALA 44 HB1 ALA 44 40.140 34.600 32.430 318 HB2 ALA 44 HB2 ALA 44 41.420 33.580 31.740 319 HB3 ALA 44 HB3 ALA 44 40.780 33.230 33.360 320 H ASN 45 H ASN 45 43.050 35.100 35.710 321 HA ASN 45 HA ASN 45 40.800 36.700 36.810 322 HB2 ASN 45 HB2 ASN 45 41.590 34.420 37.790 323 HB3 ASN 45 HB1 ASN 45 42.970 35.320 38.400 324 HD21 ASN 45 1HD2 ASN 45 41.440 34.040 40.190 325 HD22 ASN 45 2HD2 ASN 45 40.470 35.180 41.090 326 H ASN 46 H ASN 46 42.830 37.870 35.030 327 HA ASN 46 HA ASN 46 44.400 39.550 36.910 328 HB2 ASN 46 HB2 ASN 46 45.770 40.170 35.110 329 HB3 ASN 46 HB1 ASN 46 45.570 38.420 34.990 330 HD21 ASN 46 1HD2 ASN 46 44.310 37.590 33.190 331 HD22 ASN 46 2HD2 ASN 46 43.870 38.680 31.860 332 H PHE 47 H PHE 47 43.460 41.340 37.590 333 HA PHE 47 HA PHE 47 41.600 42.840 35.770 334 HB2 PHE 47 HB2 PHE 47 41.600 42.820 38.790 335 HB3 PHE 47 HB1 PHE 47 40.380 43.510 37.750 336 HD1 PHE 47 HD1 PHE 47 40.170 40.980 35.840 337 HD2 PHE 47 HD2 PHE 47 40.180 41.520 40.110 338 HE1 PHE 47 HE1 PHE 47 39.100 38.780 36.120 339 HE2 PHE 47 HE2 PHE 47 38.810 39.510 40.310 340 HZ PHE 47 HZ PHE 47 38.320 38.060 38.370 341 H GLU 48 H GLU 48 41.780 45.080 35.690 342 HA GLU 48 HA GLU 48 44.360 46.190 36.440 343 HB2 GLU 48 HB2 GLU 48 41.850 47.500 35.340 344 HB3 GLU 48 HB1 GLU 48 43.450 48.260 35.490 345 HG2 GLU 48 HG2 GLU 48 44.390 46.390 34.060 346 HG3 GLU 48 HG1 GLU 48 42.740 45.830 33.780 347 H THR 49 H THR 49 41.120 46.440 37.870 348 HA THR 49 HA THR 49 42.290 47.620 40.300 349 HB THR 49 HB THR 49 40.690 49.460 40.440 350 HG1 THR 49 HG1 THR 49 40.190 49.280 37.730 351 HG21 THR 49 1HG2 THR 49 41.690 51.040 38.970 352 HG22 THR 49 2HG2 THR 49 42.950 49.940 39.540 353 HG23 THR 49 3HG2 THR 49 42.300 49.770 37.890 354 H ARG 50 H ARG 50 40.550 47.980 41.990 355 HA ARG 50 HA ARG 50 38.960 45.670 42.490 356 HB2 ARG 50 HB2 ARG 50 38.470 48.530 43.470 357 HB3 ARG 50 HB1 ARG 50 37.800 47.050 44.180 358 HG2 ARG 50 HG2 ARG 50 40.140 46.300 44.740 359 HG3 ARG 50 HG1 ARG 50 40.740 47.840 44.080 360 HD2 ARG 50 HD2 ARG 50 40.610 48.030 46.470 361 HD3 ARG 50 HD1 ARG 50 39.420 49.100 45.720 362 HE ARG 50 HE ARG 50 38.310 46.500 46.420 363 HH11 ARG 50 1HH1 ARG 50 39.240 49.530 47.910 364 HH12 ARG 50 2HH1 ARG 50 38.130 49.360 49.230 365 HH21 ARG 50 1HH2 ARG 50 36.930 46.290 48.200 366 HH22 ARG 50 2HH2 ARG 50 36.850 47.580 49.360 367 H ALA 51 H ALA 51 38.120 48.510 40.540 368 HA ALA 51 HA ALA 51 35.240 48.010 40.590 369 HB1 ALA 51 HB1 ALA 51 35.220 49.690 38.780 370 HB2 ALA 51 HB2 ALA 51 36.170 50.260 40.160 371 HB3 ALA 51 HB3 ALA 51 36.990 49.650 38.700 372 H GLU 52 H GLU 52 37.970 47.200 38.410 373 HA GLU 52 HA GLU 52 36.410 45.770 36.510 374 HB2 GLU 52 HB2 GLU 52 38.650 46.580 36.000 375 HB3 GLU 52 HB1 GLU 52 39.340 45.620 37.300 376 HG2 GLU 52 HG2 GLU 52 39.830 44.530 35.250 377 HG3 GLU 52 HG1 GLU 52 38.690 43.530 36.120 378 H CYS 53 H CYS 53 38.200 44.620 39.410 379 HA CYS 53 HA CYS 53 37.570 41.930 39.330 380 HB2 CYS 53 HB2 CYS 53 38.940 43.140 41.060 381 HB3 CYS 53 HB1 CYS 53 37.450 43.780 41.740 382 H ARG 54 H ARG 54 35.260 44.460 39.860 383 HA ARG 54 HA ARG 54 33.100 42.610 40.750 384 HB2 ARG 54 HB2 ARG 54 33.010 45.560 40.000 385 HB3 ARG 54 HB1 ARG 54 31.670 44.630 40.660 386 HG2 ARG 54 HG2 ARG 54 32.980 44.210 42.740 387 HG3 ARG 54 HG1 ARG 54 34.320 45.160 42.080 388 HD2 ARG 54 HD2 ARG 54 32.680 47.080 41.780 389 HD3 ARG 54 HD1 ARG 54 31.530 46.120 42.730 390 HE ARG 54 HE ARG 54 34.160 46.490 43.970 391 HH11 ARG 54 1HH1 ARG 54 30.950 47.850 43.690 392 HH12 ARG 54 2HH1 ARG 54 31.120 48.840 45.120 393 HH21 ARG 54 1HH2 ARG 54 34.310 47.780 45.820 394 HH22 ARG 54 2HH2 ARG 54 32.970 48.780 46.290 395 H HIS 55 H HIS 55 33.960 44.540 37.830 396 HA HIS 55 HA HIS 55 31.620 43.630 36.340 397 HB2 HIS 55 HB2 HIS 55 33.980 45.370 35.860 398 HB3 HIS 55 HB1 HIS 55 33.550 44.410 34.480 399 HD1 HIS 55 HD1 HIS 55 31.630 45.300 33.060 400 HD2 HIS 55 HD2 HIS 55 31.800 46.870 36.960 401 HE1 HIS 55 HE1 HIS 55 29.850 47.160 33.140 402 HE2 HIS 55 HE2 HIS 55 30.000 48.170 35.510 403 H THR 56 H THR 56 34.900 42.330 36.650 404 HA THR 56 HA THR 56 34.310 40.170 34.820 405 HB THR 56 HB THR 56 36.730 40.340 36.630 406 HG1 THR 56 HG1 THR 56 37.460 41.620 34.650 407 HG21 THR 56 1HG2 THR 56 37.830 39.580 34.450 408 HG22 THR 56 2HG2 THR 56 36.690 38.410 35.130 409 HG23 THR 56 3HG2 THR 56 36.220 39.420 33.750 410 H CYS 57 H CYS 57 33.330 40.540 38.000 411 HA CYS 57 HA CYS 57 32.730 37.720 38.120 412 HB2 CYS 57 HB2 CYS 57 35.180 38.280 39.150 413 HB3 CYS 57 HB1 CYS 57 34.230 38.510 40.600 414 H VAL 58 H VAL 58 33.010 40.300 40.600 415 HA VAL 58 HA VAL 58 30.300 39.590 41.550 416 HB VAL 58 HB VAL 58 32.080 41.690 42.820 417 HG11 VAL 58 1HG1 VAL 58 30.810 41.010 44.840 418 HG12 VAL 58 2HG1 VAL 58 29.700 41.540 43.580 419 HG13 VAL 58 3HG1 VAL 58 29.920 39.810 43.890 420 HG21 VAL 58 1HG2 VAL 58 32.840 39.880 44.360 421 HG22 VAL 58 2HG2 VAL 58 32.150 38.680 43.250 422 HG23 VAL 58 3HG2 VAL 58 33.490 39.720 42.730 423 H ALA 59 H ALA 59 29.620 40.390 39.290 424 HA ALA 59 HA ALA 59 29.350 43.310 39.110 425 HB1 ALA 59 HB1 ALA 59 28.470 42.870 36.870 426 HB2 ALA 59 HB2 ALA 59 29.990 41.980 37.120 427 HB3 ALA 59 HB3 ALA 59 28.440 41.130 37.210 428 H SER 60 H SER 60 27.490 44.480 39.250 429 HA SER 60 HA SER 60 24.860 43.130 39.530 430 HB2 SER 60 HB2 SER 60 24.330 44.450 41.530 431 HB3 SER 60 HB1 SER 60 25.700 43.360 41.800 432 HG SER 60 HG SER 60 26.060 45.460 42.600 433 H ARG 61 H ARG 61 26.150 44.770 37.430 434 HA ARG 61 HA ARG 61 24.540 47.280 37.500 435 HB2 ARG 61 HB2 ARG 61 27.040 47.410 37.040 436 HB3 ARG 61 HB1 ARG 61 26.760 46.510 35.560 437 HG2 ARG 61 HG2 ARG 61 26.950 48.920 35.120 438 HG3 ARG 61 HG1 ARG 61 25.370 48.320 34.650 439 HD2 ARG 61 HD2 ARG 61 25.270 50.530 35.750 440 HD3 ARG 61 HD1 ARG 61 24.340 49.320 36.630 441 HE ARG 61 HE ARG 61 26.850 49.300 37.840 442 HH11 ARG 61 1HH1 ARG 61 24.470 51.820 37.350 443 HH12 ARG 61 2HH1 ARG 61 24.880 52.630 38.830 444 HH21 ARG 61 1HH2 ARG 61 27.400 50.460 39.680 445 HH22 ARG 61 2HH2 ARG 61 26.510 51.900 40.080 446 H LYS 62 H LYS 62 23.070 47.750 35.920 447 HA LYS 62 HA LYS 62 21.590 45.640 34.690 448 HB2 LYS 62 HB2 LYS 62 21.660 48.630 34.040 449 HB3 LYS 62 HB1 LYS 62 20.420 47.490 33.520 450 HG2 LYS 62 HG2 LYS 62 19.720 47.110 35.840 451 HG3 LYS 62 HG1 LYS 62 21.030 48.140 36.440 452 HD2 LYS 62 HD2 LYS 62 20.060 50.100 35.260 453 HD3 LYS 62 HD1 LYS 62 18.780 49.070 34.620 454 HE2 LYS 62 HE2 LYS 62 17.890 50.300 36.470 455 HE3 LYS 62 HE1 LYS 62 17.960 48.600 36.890 456 HZ1 LYS 62 HZ1 LYS 62 18.720 50.000 38.690 457 HZ2 LYS 62 HZ2 LYS 62 19.960 49.060 38.190 458 HZ3 LYS 62 HZ3 LYS 62 19.900 50.660 37.770 459 H GLY 63 H GLY 63 22.400 44.380 33.150 460 HA2 GLY 63 HA2 GLY 63 23.190 45.500 30.550 461 HA3 GLY 63 HA1 GLY 63 24.490 44.690 31.430 462 H GLY 64 H GLY 64 21.350 43.320 31.990 463 HA2 GLY 64 HA2 GLY 64 20.530 41.600 30.210 464 HA3 GLY 64 HA1 GLY 64 22.140 40.930 30.390 465 HA PRO 65 HA PRO 65 20.020 40.150 34.670 466 HB2 PRO 65 HB1 PRO 65 17.280 40.320 34.820 467 HB3 PRO 65 HB2 PRO 65 18.360 41.720 35.110 468 HG2 PRO 65 HG1 PRO 65 16.930 40.980 32.530 469 HG3 PRO 65 HG2 PRO 65 16.960 42.570 33.360 470 HD2 PRO 65 HD1 PRO 65 18.630 42.010 31.300 471 HD3 PRO 65 HD2 PRO 65 19.190 42.990 32.690 472 H ARG 66 H ARG 66 19.360 38.080 35.300 473 HA ARG 66 HA ARG 66 18.510 36.270 33.100 474 HB2 ARG 66 HB2 ARG 66 20.780 36.150 34.710 475 HB3 ARG 66 HB1 ARG 66 19.690 35.060 35.550 476 HG2 ARG 66 HG2 ARG 66 20.930 33.750 33.970 477 HG3 ARG 66 HG1 ARG 66 19.300 33.880 33.300 478 HD2 ARG 66 HD2 ARG 66 20.060 35.750 31.830 479 HD3 ARG 66 HD1 ARG 66 21.670 35.660 32.570 480 HE ARG 66 HE ARG 66 21.030 33.100 31.520 481 HH11 ARG 66 1HH1 ARG 66 21.760 36.310 30.350 482 HH12 ARG 66 2HH1 ARG 66 22.440 35.740 28.850 483 HH21 ARG 66 1HH2 ARG 66 21.910 32.410 29.570 484 HH22 ARG 66 2HH2 ARG 66 22.510 33.560 28.420 485 H ARG 67 H ARG 67 16.620 37.800 34.540 486 HA ARG 67 HA ARG 67 14.620 37.670 35.700 487 HB2 ARG 67 HB2 ARG 67 14.160 36.160 33.780 488 HB3 ARG 67 HB1 ARG 67 14.670 34.780 34.760 489 HG2 ARG 67 HG2 ARG 67 12.820 35.300 36.390 490 HG3 ARG 67 HG1 ARG 67 12.310 36.630 35.320 491 HD2 ARG 67 HD2 ARG 67 12.080 34.970 33.460 492 HD3 ARG 67 HD1 ARG 67 12.510 33.670 34.590 493 HE ARG 67 HE ARG 67 10.460 34.700 35.920 494 HH11 ARG 67 1HH1 ARG 67 10.640 33.940 32.510 495 HH12 ARG 67 2HH1 ARG 67 8.920 33.710 32.360 496 HH21 ARG 67 1HH2 ARG 67 8.260 34.370 35.670 497 HH22 ARG 67 2HH2 ARG 67 7.610 33.940 34.120 498 HA PRO 68 HA PRO 68 16.680 35.970 39.490 499 HB2 PRO 68 HB1 PRO 68 15.990 38.670 40.580 500 HB3 PRO 68 HB2 PRO 68 17.540 37.790 40.640 501 HG2 PRO 68 HG1 PRO 68 17.180 39.960 39.020 502 HG3 PRO 68 HG2 PRO 68 18.170 38.550 38.500 503 HD2 PRO 68 HD1 PRO 68 15.260 39.140 37.850 504 HD3 PRO 68 HD2 PRO 68 16.600 38.690 36.740 Start of MODEL 3 1 H PCA 1 H PGA 1 27.360 27.894 41.463 2 HA PCA 1 HA PGA 1 28.075 29.983 42.711 3 HB2 PCA 1 HB1 PGA 1 30.521 30.692 41.623 4 HB3 PCA 1 HB2 PGA 1 30.322 29.538 42.980 5 HG2 PCA 1 HG1 PGA 1 30.781 28.922 40.048 6 HG3 PCA 1 HG2 PGA 1 31.418 28.072 41.509 7 H ASP 2 H ASP 2 27.096 31.839 41.996 8 HA ASP 2 HA ASP 2 26.489 32.431 39.339 9 HB2 ASP 2 HB2 ASP 2 26.846 34.548 41.487 10 HB3 ASP 2 HB1 ASP 2 25.721 34.563 40.130 11 H ARG 3 H ARG 3 29.540 32.684 40.656 12 HA ARG 3 HA ARG 3 30.423 34.952 38.920 13 HB2 ARG 3 HB2 ARG 3 31.526 33.865 41.543 14 HB3 ARG 3 HB1 ARG 3 32.531 34.743 40.427 15 HG2 ARG 3 HG2 ARG 3 31.826 36.666 41.291 16 HG3 ARG 3 HG1 ARG 3 30.218 36.364 40.640 17 HD2 ARG 3 HD2 ARG 3 31.278 35.589 43.359 18 HD3 ARG 3 HD1 ARG 3 30.138 36.898 43.003 19 HE ARG 3 HE ARG 3 28.816 34.724 41.999 20 HH11 ARG 3 1HH1 ARG 3 30.196 35.379 45.105 21 HH12 ARG 3 2HH1 ARG 3 29.135 34.246 45.935 22 HH21 ARG 3 1HH2 ARG 3 27.227 33.460 43.272 23 HH22 ARG 3 2HH2 ARG 3 27.617 33.149 44.886 24 HA PRO 4 HA PRO 4 32.444 32.131 36.285 25 HB2 PRO 4 HB1 PRO 4 34.946 33.321 35.890 26 HB3 PRO 4 HB2 PRO 4 33.437 33.757 35.028 27 HG2 PRO 4 HG1 PRO 4 34.667 35.060 37.446 28 HG3 PRO 4 HG2 PRO 4 33.961 35.849 36.006 29 HD2 PRO 4 HD1 PRO 4 32.551 35.633 38.304 30 HD3 PRO 4 HD2 PRO 4 31.740 35.348 36.730 31 H LYS 5 H LYS 5 33.670 30.329 36.388 32 HA LYS 5 HA LYS 5 34.760 29.521 38.897 33 HB2 LYS 5 HB2 LYS 5 35.316 27.443 37.836 34 HB3 LYS 5 HB1 LYS 5 33.736 27.973 37.273 35 HG2 LYS 5 HG2 LYS 5 34.738 28.786 35.147 36 HG3 LYS 5 HG1 LYS 5 36.347 28.297 35.710 37 HD2 LYS 5 HD2 LYS 5 35.620 25.958 35.856 38 HD3 LYS 5 HD1 LYS 5 34.002 26.407 35.295 39 HE2 LYS 5 HE2 LYS 5 34.953 27.270 33.179 40 HE3 LYS 5 HE1 LYS 5 36.590 26.891 33.739 41 HZ1 LYS 5 HZ1 LYS 5 35.730 25.157 32.277 42 HZ2 LYS 5 HZ2 LYS 5 35.994 24.543 33.786 43 HZ3 LYS 5 HZ3 LYS 5 34.457 24.874 33.285 44 H PHE 6 H PHE 6 36.410 31.015 36.150 45 HA PHE 6 HA PHE 6 39.064 30.204 36.954 46 HB2 PHE 6 HB2 PHE 6 39.834 32.004 35.495 47 HB3 PHE 6 HB1 PHE 6 38.687 30.936 34.704 48 HD1 PHE 6 HD1 PHE 6 38.876 34.246 36.545 49 HD2 PHE 6 HD2 PHE 6 36.968 31.933 33.434 50 HE1 PHE 6 HE1 PHE 6 37.536 36.208 35.900 51 HE2 PHE 6 HE2 PHE 6 35.668 33.935 32.759 52 HZ PHE 6 HZ PHE 6 35.932 36.068 34.007 53 H CYS 7 H CYS 7 36.847 32.464 38.377 54 HA CYS 7 HA CYS 7 38.767 34.150 39.637 55 HB2 CYS 7 HB2 CYS 7 35.930 33.369 40.277 56 HB3 CYS 7 HB1 CYS 7 36.899 34.359 41.350 57 H TYR 8 H TYR 8 37.916 30.796 40.249 58 HA TYR 8 HA TYR 8 38.856 30.760 43.027 59 HB2 TYR 8 HB2 TYR 8 38.060 28.570 41.081 60 HB3 TYR 8 HB1 TYR 8 38.560 28.291 42.734 61 HD1 TYR 8 HD1 TYR 8 35.966 30.176 40.744 62 HD2 TYR 8 HD2 TYR 8 37.024 28.335 44.488 63 HE1 TYR 8 HE1 TYR 8 33.644 30.525 41.556 64 HE2 TYR 8 HE2 TYR 8 34.702 28.674 45.300 65 HH TYR 8 HH TYR 8 32.610 29.377 44.766 66 H LEU 9 H LEU 9 40.531 31.173 40.245 67 HA LEU 9 HA LEU 9 42.857 29.506 40.973 68 HB2 LEU 9 HB2 LEU 9 42.372 31.487 38.735 69 HB3 LEU 9 HB1 LEU 9 43.788 30.439 38.896 70 HG LEU 9 HG LEU 9 40.942 29.345 38.611 71 HD11 LEU 9 1HD1 LEU 9 41.389 28.997 36.264 72 HD12 LEU 9 2HD1 LEU 9 41.556 30.725 36.629 73 HD13 LEU 9 3HD1 LEU 9 43.000 29.712 36.419 74 HD21 LEU 9 1HD2 LEU 9 42.139 27.291 37.917 75 HD22 LEU 9 2HD2 LEU 9 43.698 28.097 38.181 76 HD23 LEU 9 3HD2 LEU 9 42.617 27.772 39.549 77 HA PRO 10 HA PRO 10 44.308 32.917 43.649 78 HB2 PRO 10 HB1 PRO 10 46.867 31.434 43.063 79 HB3 PRO 10 HB2 PRO 10 46.302 32.139 44.614 80 HG2 PRO 10 HG1 PRO 10 46.028 29.488 44.184 81 HG3 PRO 10 HG2 PRO 10 44.647 30.409 44.875 82 HD2 PRO 10 HD1 PRO 10 45.080 29.533 42.006 83 HD3 PRO 10 HD2 PRO 10 43.605 29.457 43.012 84 H ASP 11 H ASP 11 46.053 34.670 43.488 85 HA ASP 11 HA ASP 11 45.897 35.900 40.910 86 HB2 ASP 11 HB2 ASP 11 47.538 37.477 41.812 87 HB3 ASP 11 HB1 ASP 11 46.164 37.263 42.879 88 H ASP 12 H ASP 12 47.085 35.651 39.170 89 HA ASP 12 HA ASP 12 49.657 34.129 39.325 90 HB2 ASP 12 HB2 ASP 12 47.713 32.799 38.490 91 HB3 ASP 12 HB1 ASP 12 47.653 33.919 37.123 92 HA PRO 13 HA PRO 13 50.513 38.264 37.401 93 HB2 PRO 13 HB1 PRO 13 53.086 38.348 38.552 94 HB3 PRO 13 HB2 PRO 13 51.598 39.037 39.247 95 HG2 PRO 13 HG1 PRO 13 52.838 36.394 39.932 96 HG3 PRO 13 HG2 PRO 13 52.193 37.671 41.025 97 HD2 PRO 13 HD1 PRO 13 50.711 35.540 40.401 98 HD3 PRO 13 HD2 PRO 13 49.959 37.151 40.469 99 H GLY 14 H GLY 14 52.008 35.135 37.443 100 HA2 GLY 14 HA2 GLY 14 52.876 34.079 35.515 101 HA3 GLY 14 HA1 GLY 14 53.372 35.637 34.851 102 H VAL 15 H VAL 15 55.369 34.390 34.503 103 HA VAL 15 HA VAL 15 57.064 33.848 36.856 104 HB VAL 15 HB VAL 15 58.516 32.695 35.269 105 HG11 VAL 15 1HG1 VAL 15 56.998 30.923 34.599 106 HG12 VAL 15 2HG1 VAL 15 56.545 31.521 36.202 107 HG13 VAL 15 3HG1 VAL 15 55.594 31.986 34.778 108 HG21 VAL 15 1HG2 VAL 15 57.921 32.462 32.904 109 HG22 VAL 15 2HG2 VAL 15 56.586 33.606 33.081 110 HG23 VAL 15 3HG2 VAL 15 58.279 34.143 33.288 111 H CYS 16 H CYS 16 56.610 36.608 35.217 112 HA CYS 16 HA CYS 16 59.387 37.400 34.687 113 HB2 CYS 16 HB2 CYS 16 56.679 38.587 34.377 114 HB3 CYS 16 HB1 CYS 16 57.984 39.740 34.667 115 H LYS 17 H LYS 17 60.233 39.396 35.655 116 HA LYS 17 HA LYS 17 59.841 39.494 38.615 117 HB2 LYS 17 HB2 LYS 17 62.218 39.782 38.864 118 HB3 LYS 17 HB1 LYS 17 61.856 38.265 38.087 119 HG2 LYS 17 HG2 LYS 17 62.587 40.701 36.409 120 HG3 LYS 17 HG1 LYS 17 63.823 39.771 37.249 121 HD2 LYS 17 HD2 LYS 17 63.208 37.734 36.031 122 HD3 LYS 17 HD1 LYS 17 61.883 38.563 35.232 123 HE2 LYS 17 HE2 LYS 17 63.730 38.447 33.698 124 HE3 LYS 17 HE1 LYS 17 63.418 40.130 34.145 125 HZ1 LYS 17 HZ1 LYS 17 65.785 39.604 34.195 126 HZ2 LYS 17 HZ2 LYS 17 65.275 39.989 35.711 127 HZ3 LYS 17 HZ3 LYS 17 65.546 38.426 35.313 128 H ALA 18 H ALA 18 58.362 41.181 37.085 129 HA ALA 18 HA ALA 18 59.725 43.834 37.262 130 HB1 ALA 18 HB1 ALA 18 58.188 44.658 35.624 131 HB2 ALA 18 HB2 ALA 18 58.857 43.148 35.004 132 HB3 ALA 18 HB3 ALA 18 57.229 43.175 35.699 133 H HIS 19 H HIS 19 57.264 45.320 37.327 134 HA HIS 19 HA HIS 19 55.784 44.413 39.645 135 HB2 HIS 19 HB2 HIS 19 57.863 45.407 40.624 136 HB3 HIS 19 HB1 HIS 19 57.449 46.951 39.903 137 HD1 HIS 19 HD1 HIS 19 57.478 45.648 43.112 138 HD2 HIS 19 HD2 HIS 19 54.504 47.502 40.774 139 HE1 HIS 19 HE1 HIS 19 55.769 46.658 44.773 140 HE2 HIS 19 HE2 HIS 19 53.939 47.741 43.322 141 H ILE 20 H ILE 20 53.827 44.650 38.577 142 HA ILE 20 HA ILE 20 53.075 47.460 37.888 143 HB ILE 20 HB ILE 20 52.055 45.033 36.417 144 HG12 ILE 20 2HG1 ILE 20 54.428 46.808 35.774 145 HG13 ILE 20 1HG1 ILE 20 54.403 45.049 35.939 146 HG21 ILE 20 1HG2 ILE 20 51.315 46.789 34.813 147 HG22 ILE 20 2HG2 ILE 20 50.596 47.013 36.402 148 HG23 ILE 20 3HG2 ILE 20 51.961 48.035 35.883 149 HD11 ILE 20 HD1 ILE 20 54.609 45.509 33.642 150 HD12 ILE 20 HD2 ILE 20 52.927 44.998 33.844 151 HD13 ILE 20 HD3 ILE 20 53.322 46.711 33.658 152 HA PRO 21 HA PRO 21 49.966 46.652 41.060 153 HB2 PRO 21 HB1 PRO 21 48.569 48.963 39.700 154 HB3 PRO 21 HB2 PRO 21 48.859 48.682 41.443 155 HG2 PRO 21 HG1 PRO 21 50.380 50.454 40.063 156 HG3 PRO 21 HG2 PRO 21 51.139 49.342 41.247 157 HD2 PRO 21 HD1 PRO 21 51.013 49.066 38.231 158 HD3 PRO 21 HD2 PRO 21 52.401 48.822 39.340 159 H ARG 22 H ARG 22 48.609 44.959 40.819 160 HA ARG 22 HA ARG 22 46.562 44.999 38.694 161 HB2 ARG 22 HB2 ARG 22 48.828 43.752 38.096 162 HB3 ARG 22 HB1 ARG 22 48.239 42.519 39.206 163 HG2 ARG 22 HG2 ARG 22 47.690 41.898 36.926 164 HG3 ARG 22 HG1 ARG 22 46.187 42.279 37.755 165 HD2 ARG 22 HD2 ARG 22 46.096 43.256 35.561 166 HD3 ARG 22 HD1 ARG 22 46.301 44.596 36.691 167 HE ARG 22 HE ARG 22 48.822 43.606 35.657 168 HH11 ARG 22 1HH1 ARG 22 46.169 45.789 34.963 169 HH12 ARG 22 2HH1 ARG 22 47.072 46.735 33.836 170 HH21 ARG 22 1HH2 ARG 22 49.940 44.810 34.146 171 HH22 ARG 22 2HH2 ARG 22 49.178 46.199 33.408 172 H PHE 23 H PHE 23 44.906 43.340 39.033 173 HA PHE 23 HA PHE 23 44.584 42.697 41.914 174 HB2 PHE 23 HB2 PHE 23 42.706 44.275 40.126 175 HB3 PHE 23 HB1 PHE 23 42.142 43.458 41.570 176 HD1 PHE 23 HD1 PHE 23 42.122 44.628 43.603 177 HD2 PHE 23 HD2 PHE 23 44.804 45.931 40.506 178 HE1 PHE 23 HE1 PHE 23 42.769 46.607 44.963 179 HE2 PHE 23 HE2 PHE 23 45.401 47.909 41.835 180 HZ PHE 23 HZ PHE 23 44.363 48.277 44.053 181 H TYR 24 H TYR 24 43.058 41.103 42.422 182 HA TYR 24 HA TYR 24 41.954 39.484 40.199 183 HB2 TYR 24 HB2 TYR 24 43.328 37.795 40.300 184 HB3 TYR 24 HB1 TYR 24 44.438 38.764 41.202 185 HD1 TYR 24 HD1 TYR 24 43.956 38.736 43.844 186 HD2 TYR 24 HD2 TYR 24 43.051 35.671 41.042 187 HE1 TYR 24 HE1 TYR 24 43.716 37.060 45.720 188 HE2 TYR 24 HE2 TYR 24 42.519 34.101 42.887 189 HH TYR 24 HH TYR 24 42.761 33.696 45.042 190 H TYR 25 H TYR 25 40.358 37.912 40.917 191 HA TYR 25 HA TYR 25 38.892 38.877 43.328 192 HB2 TYR 25 HB2 TYR 25 37.571 38.466 41.177 193 HB3 TYR 25 HB1 TYR 25 38.015 36.785 41.331 194 HD1 TYR 25 HD1 TYR 25 36.159 39.651 42.804 195 HD2 TYR 25 HD2 TYR 25 36.869 35.432 42.974 196 HE1 TYR 25 HE1 TYR 25 34.128 39.353 44.235 197 HE2 TYR 25 HE2 TYR 25 34.748 35.110 44.225 198 HH TYR 25 HH TYR 25 33.077 36.113 45.286 199 H ASN 26 H ASN 26 38.933 37.824 45.193 200 HA ASN 26 HA ASN 26 40.053 35.051 45.281 201 HB2 ASN 26 HB2 ASN 26 40.514 35.533 47.692 202 HB3 ASN 26 HB1 ASN 26 41.508 36.380 46.527 203 HD21 ASN 26 1HD2 ASN 26 40.995 38.596 46.016 204 HD22 ASN 26 2HD2 ASN 26 40.325 39.595 47.303 205 HA PRO 27 HA PRO 27 35.603 34.502 46.232 206 HB2 PRO 27 HB1 PRO 27 35.509 31.792 45.682 207 HB3 PRO 27 HB2 PRO 27 35.318 33.051 44.454 208 HG2 PRO 27 HG1 PRO 27 37.743 31.425 45.091 209 HG3 PRO 27 HG2 PRO 27 37.120 32.003 43.504 210 HD2 PRO 27 HD1 PRO 27 39.208 33.173 44.891 211 HD3 PRO 27 HD2 PRO 27 38.161 34.062 43.761 212 H ALA 28 H ALA 28 38.461 32.829 47.428 213 HA ALA 28 HA ALA 28 37.447 31.437 49.622 214 HB1 ALA 28 HB1 ALA 28 39.737 31.682 50.512 215 HB2 ALA 28 HB2 ALA 28 39.786 31.348 48.766 216 HB3 ALA 28 HB3 ALA 28 40.065 33.001 49.371 217 H SER 29 H SER 29 37.777 34.947 49.279 218 HA SER 29 HA SER 29 36.531 35.220 51.999 219 HB2 SER 29 HB2 SER 29 38.530 37.171 50.835 220 HB3 SER 29 HB1 SER 29 37.744 37.243 52.426 221 HG SER 29 HG SER 29 38.876 35.021 52.585 222 H ASN 30 H ASN 30 35.640 35.303 48.990 223 HA ASN 30 HA ASN 30 34.328 36.544 47.606 224 HB2 ASN 30 HB2 ASN 30 32.865 35.761 49.512 225 HB3 ASN 30 HB1 ASN 30 33.025 37.364 50.228 226 HD21 ASN 30 1HD2 ASN 30 31.622 35.545 47.579 227 HD22 ASN 30 2HD2 ASN 30 30.532 36.884 47.132 228 H LYS 31 H LYS 31 36.629 37.948 47.638 229 HA LYS 31 HA LYS 31 35.659 40.669 47.231 230 HB2 LYS 31 HB2 LYS 31 37.239 41.775 48.871 231 HB3 LYS 31 HB1 LYS 31 35.883 40.926 49.537 232 HG2 LYS 31 HG2 LYS 31 37.319 40.127 50.995 233 HG3 LYS 31 HG1 LYS 31 37.682 38.924 49.771 234 HD2 LYS 31 HD2 LYS 31 39.590 40.330 48.995 235 HD3 LYS 31 HD1 LYS 31 39.238 41.504 50.279 236 HE2 LYS 31 HE2 LYS 31 40.109 38.600 50.569 237 HE3 LYS 31 HE1 LYS 31 41.061 40.039 50.955 238 HZ1 LYS 31 HZ1 LYS 31 40.042 38.934 52.924 239 HZ2 LYS 31 HZ2 LYS 31 39.510 40.484 52.773 240 HZ3 LYS 31 HZ3 LYS 31 38.566 39.224 52.324 241 H CYS 32 H CYS 32 37.838 42.127 47.023 242 HA CYS 32 HA CYS 32 39.339 40.875 44.777 243 HB2 CYS 32 HB2 CYS 32 39.000 43.801 45.515 244 HB3 CYS 32 HB1 CYS 32 39.774 43.161 44.062 245 H LYS 33 H LYS 33 41.602 41.294 44.574 246 HA LYS 33 HA LYS 33 43.109 42.092 47.048 247 HB2 LYS 33 HB2 LYS 33 43.011 39.518 45.556 248 HB3 LYS 33 HB1 LYS 33 44.654 40.105 45.823 249 HG2 LYS 33 HG2 LYS 33 42.595 39.799 48.053 250 HG3 LYS 33 HG1 LYS 33 43.672 38.496 47.509 251 HD2 LYS 33 HD2 LYS 33 45.599 40.190 47.959 252 HD3 LYS 33 HD1 LYS 33 44.399 41.097 48.899 253 HE2 LYS 33 HE2 LYS 33 45.331 38.215 49.269 254 HE3 LYS 33 HE1 LYS 33 45.656 39.565 50.348 255 HZ1 LYS 33 HZ1 LYS 33 43.888 38.142 51.164 256 HZ2 LYS 33 HZ2 LYS 33 43.306 39.660 50.854 257 HZ3 LYS 33 HZ3 LYS 33 42.990 38.400 49.813 258 H GLU 34 H GLU 34 45.258 42.776 46.612 259 HA GLU 34 HA GLU 34 45.704 43.922 43.893 260 HB2 GLU 34 HB2 GLU 34 45.236 45.553 45.731 261 HB3 GLU 34 HB1 GLU 34 46.608 44.926 46.626 262 HG2 GLU 34 HG2 GLU 34 48.113 45.579 44.732 263 HG3 GLU 34 HG1 GLU 34 46.721 46.217 43.856 264 H PHE 35 H PHE 35 47.227 42.749 42.886 265 HA PHE 35 HA PHE 35 49.430 41.503 44.447 266 HB2 PHE 35 HB2 PHE 35 49.443 39.574 43.186 267 HB3 PHE 35 HB1 PHE 35 47.751 39.816 43.567 268 HD1 PHE 35 HD1 PHE 35 46.141 40.067 41.758 269 HD2 PHE 35 HD2 PHE 35 50.340 40.024 40.926 270 HE1 PHE 35 HE1 PHE 35 45.659 39.694 39.335 271 HE2 PHE 35 HE2 PHE 35 49.844 39.891 38.489 272 HZ PHE 35 HZ PHE 35 47.525 39.587 37.711 273 H ILE 36 H ILE 36 51.420 41.242 43.165 274 HA ILE 36 HA ILE 36 51.821 43.612 41.399 275 HB ILE 36 HB ILE 36 53.619 42.004 43.207 276 HG12 ILE 36 2HG1 ILE 36 54.489 44.284 43.671 277 HG13 ILE 36 1HG1 ILE 36 53.365 44.960 42.485 278 HG21 ILE 36 1HG2 ILE 36 55.589 43.175 42.014 279 HG22 ILE 36 2HG2 ILE 36 54.916 41.763 41.227 280 HG23 ILE 36 3HG2 ILE 36 54.452 43.369 40.655 281 HD11 ILE 36 HD1 ILE 36 52.658 45.275 44.852 282 HD12 ILE 36 HD2 ILE 36 51.468 44.355 43.929 283 HD13 ILE 36 HD3 ILE 36 52.564 43.516 45.049 284 H TYR 37 H TYR 37 51.588 43.299 39.344 285 HA TYR 37 HA TYR 37 52.031 40.677 38.101 286 HB2 TYR 37 HB2 TYR 37 50.092 41.921 37.519 287 HB3 TYR 37 HB1 TYR 37 51.031 43.317 37.045 288 HD1 TYR 37 HD1 TYR 37 49.845 39.966 36.078 289 HD2 TYR 37 HD2 TYR 37 52.415 43.246 34.962 290 HE1 TYR 37 HE1 TYR 37 50.000 39.074 33.760 291 HE2 TYR 37 HE2 TYR 37 52.439 42.442 32.623 292 HH TYR 37 HH TYR 37 51.748 40.751 31.150 293 H GLY 38 H GLY 38 53.424 40.163 36.494 294 HA2 GLY 38 HA2 GLY 38 56.004 41.610 36.525 295 HA3 GLY 38 HA1 GLY 38 55.705 39.986 35.910 296 H GLY 39 H GLY 39 54.932 39.705 33.836 297 HA2 GLY 39 HA2 GLY 39 54.171 41.445 31.833 298 HA3 GLY 39 HA1 GLY 39 55.908 41.691 31.944 299 H CYS 40 H CYS 40 54.565 38.491 32.575 300 HA CYS 40 HA CYS 40 55.961 37.534 30.105 301 HB2 CYS 40 HB2 CYS 40 55.846 36.343 32.893 302 HB3 CYS 40 HB1 CYS 40 56.185 35.377 31.456 303 H GLY 41 H GLY 41 53.965 35.597 32.259 304 HA2 GLY 41 HA2 GLY 41 51.912 35.257 30.120 305 HA3 GLY 41 HA1 GLY 41 52.273 34.110 31.406 306 H GLY 42 H GLY 42 50.327 34.008 32.414 307 HA2 GLY 42 HA2 GLY 42 49.612 35.538 34.483 308 HA3 GLY 42 HA1 GLY 42 48.786 36.367 33.154 309 H ASN 43 H ASN 43 46.778 35.753 34.129 310 HA ASN 43 HA ASN 43 45.833 33.067 33.291 311 HB2 ASN 43 HB2 ASN 43 46.693 32.832 35.562 312 HB3 ASN 43 HB1 ASN 43 45.706 34.207 36.115 313 HD21 ASN 43 1HD2 ASN 43 44.841 32.808 37.728 314 HD22 ASN 43 2HD2 ASN 43 43.605 31.643 37.259 315 H ALA 44 H ALA 44 43.385 32.968 33.680 316 HA ALA 44 HA ALA 44 42.039 35.211 32.461 317 HB1 ALA 44 HB1 ALA 44 40.031 33.759 32.878 318 HB2 ALA 44 HB2 ALA 44 41.361 32.905 32.067 319 HB3 ALA 44 HB3 ALA 44 41.080 32.647 33.801 320 H ASN 45 H ASN 45 43.044 34.892 35.643 321 HA ASN 45 HA ASN 45 40.873 36.637 36.694 322 HB2 ASN 45 HB2 ASN 45 41.328 34.369 37.786 323 HB3 ASN 45 HB1 ASN 45 42.871 35.039 38.331 324 HD21 ASN 45 1HD2 ASN 45 41.299 34.134 40.230 325 HD22 ASN 45 2HD2 ASN 45 40.504 35.416 41.103 326 H ASN 46 H ASN 46 42.489 37.945 34.990 327 HA ASN 46 HA ASN 46 44.393 39.458 36.712 328 HB2 ASN 46 HB2 ASN 46 45.600 39.996 34.710 329 HB3 ASN 46 HB1 ASN 46 45.435 38.245 34.826 330 HD21 ASN 46 1HD2 ASN 46 45.871 40.086 32.438 331 HD22 ASN 46 2HD2 ASN 46 44.534 39.642 31.378 332 H PHE 47 H PHE 47 43.362 41.176 37.540 333 HA PHE 47 HA PHE 47 41.633 42.815 35.701 334 HB2 PHE 47 HB2 PHE 47 41.611 42.868 38.700 335 HB3 PHE 47 HB1 PHE 47 40.399 43.485 37.605 336 HD1 PHE 47 HD1 PHE 47 40.241 40.836 35.824 337 HD2 PHE 47 HD2 PHE 47 40.273 41.619 40.053 338 HE1 PHE 47 HE1 PHE 47 39.052 38.705 36.239 339 HE2 PHE 47 HE2 PHE 47 38.780 39.762 40.395 340 HZ PHE 47 HZ PHE 47 38.217 38.177 38.519 341 H GLU 48 H GLU 48 41.751 45.079 35.827 342 HA GLU 48 HA GLU 48 44.388 46.135 36.404 343 HB2 GLU 48 HB2 GLU 48 41.796 47.558 35.720 344 HB3 GLU 48 HB1 GLU 48 43.436 48.240 35.625 345 HG2 GLU 48 HG2 GLU 48 44.045 46.494 33.939 346 HG3 GLU 48 HG1 GLU 48 42.384 45.881 33.973 347 H THR 49 H THR 49 41.206 46.602 37.937 348 HA THR 49 HA THR 49 42.485 47.288 40.493 349 HB THR 49 HB THR 49 41.188 49.295 40.857 350 HG1 THR 49 HG1 THR 49 40.673 49.740 38.232 351 HG21 THR 49 1HG2 THR 49 42.421 50.874 39.560 352 HG22 THR 49 2HG2 THR 49 43.492 49.535 39.997 353 HG23 THR 49 3HG2 THR 49 42.845 49.652 38.347 354 H ARG 50 H ARG 50 40.674 47.747 42.172 355 HA ARG 50 HA ARG 50 38.905 45.566 42.459 356 HB2 ARG 50 HB2 ARG 50 38.469 48.376 43.559 357 HB3 ARG 50 HB1 ARG 50 37.752 46.874 44.154 358 HG2 ARG 50 HG2 ARG 50 40.125 46.055 44.669 359 HG3 ARG 50 HG1 ARG 50 40.691 47.687 44.243 360 HD2 ARG 50 HD2 ARG 50 40.480 47.579 46.625 361 HD3 ARG 50 HD1 ARG 50 39.213 48.652 45.993 362 HE ARG 50 HE ARG 50 38.151 46.010 46.205 363 HH11 ARG 50 1HH1 ARG 50 39.141 48.615 48.324 364 HH12 ARG 50 2HH1 ARG 50 38.051 48.148 49.585 365 HH21 ARG 50 1HH2 ARG 50 36.754 45.455 47.878 366 HH22 ARG 50 2HH2 ARG 50 36.755 46.386 49.344 367 H ALA 51 H ALA 51 38.398 48.491 40.547 368 HA ALA 51 HA ALA 51 35.519 48.297 40.359 369 HB1 ALA 51 HB1 ALA 51 35.831 49.885 38.494 370 HB2 ALA 51 HB2 ALA 51 36.759 50.389 39.914 371 HB3 ALA 51 HB3 ALA 51 37.585 49.620 38.543 372 H GLU 52 H GLU 52 38.166 47.342 38.095 373 HA GLU 52 HA GLU 52 36.501 45.862 36.321 374 HB2 GLU 52 HB2 GLU 52 38.729 46.594 35.684 375 HB3 GLU 52 HB1 GLU 52 39.466 45.674 36.995 376 HG2 GLU 52 HG2 GLU 52 39.836 44.509 34.951 377 HG3 GLU 52 HG1 GLU 52 38.743 43.547 35.919 378 H CYS 53 H CYS 53 38.335 44.810 39.222 379 HA CYS 53 HA CYS 53 37.664 42.090 39.214 380 HB2 CYS 53 HB2 CYS 53 39.183 43.196 40.853 381 HB3 CYS 53 HB1 CYS 53 37.813 44.076 41.494 382 H ARG 54 H ARG 54 35.599 44.777 40.270 383 HA ARG 54 HA ARG 54 33.406 43.028 41.133 384 HB2 ARG 54 HB2 ARG 54 33.798 45.259 42.139 385 HB3 ARG 54 HB1 ARG 54 33.482 46.021 40.569 386 HG2 ARG 54 HG2 ARG 54 31.155 45.109 40.619 387 HG3 ARG 54 HG1 ARG 54 31.491 44.346 42.179 388 HD2 ARG 54 HD2 ARG 54 31.913 46.567 43.165 389 HD3 ARG 54 HD1 ARG 54 31.617 47.320 41.575 390 HE ARG 54 HE ARG 54 29.382 45.688 42.286 391 HH11 ARG 54 1HH1 ARG 54 30.833 48.704 43.287 392 HH12 ARG 54 2HH1 ARG 54 29.335 49.362 43.882 393 HH21 ARG 54 1HH2 ARG 54 27.471 46.582 43.029 394 HH22 ARG 54 2HH2 ARG 54 27.471 48.173 43.745 395 H HIS 55 H HIS 55 34.355 44.507 38.068 396 HA HIS 55 HA HIS 55 31.680 43.932 36.924 397 HB2 HIS 55 HB2 HIS 55 33.019 46.014 36.400 398 HB3 HIS 55 HB1 HIS 55 34.140 44.986 35.511 399 HD1 HIS 55 HD1 HIS 55 33.258 43.901 33.260 400 HD2 HIS 55 HD2 HIS 55 30.559 46.423 35.311 401 HE1 HIS 55 HE1 HIS 55 31.297 44.329 31.629 402 HE2 HIS 55 HE2 HIS 55 29.678 45.925 32.870 403 H THR 56 H THR 56 34.891 42.427 36.887 404 HA THR 56 HA THR 56 34.132 40.486 34.897 405 HB THR 56 HB THR 56 36.528 40.528 36.770 406 HG1 THR 56 HG1 THR 56 37.437 41.553 34.902 407 HG21 THR 56 1HG2 THR 56 37.539 39.282 34.755 408 HG22 THR 56 2HG2 THR 56 36.395 38.340 35.722 409 HG23 THR 56 3HG2 THR 56 35.890 39.050 34.173 410 H CYS 57 H CYS 57 34.335 40.381 38.459 411 HA CYS 57 HA CYS 57 33.314 37.584 38.303 412 HB2 CYS 57 HB2 CYS 57 35.638 38.232 39.306 413 HB3 CYS 57 HB1 CYS 57 34.697 38.619 40.734 414 H VAL 58 H VAL 58 33.167 40.070 40.877 415 HA VAL 58 HA VAL 58 30.452 39.141 41.529 416 HB VAL 58 HB VAL 58 31.996 39.279 43.302 417 HG11 VAL 58 1HG1 VAL 58 32.879 41.365 44.219 418 HG12 VAL 58 2HG1 VAL 58 33.478 41.120 42.571 419 HG13 VAL 58 3HG1 VAL 58 32.172 42.286 42.898 420 HG21 VAL 58 1HG2 VAL 58 30.695 40.395 44.950 421 HG22 VAL 58 2HG2 VAL 58 29.907 41.426 43.757 422 HG23 VAL 58 3HG2 VAL 58 29.601 39.672 43.764 423 H ALA 59 H ALA 59 29.943 39.931 39.298 424 HA ALA 59 HA ALA 59 29.203 42.801 39.239 425 HB1 ALA 59 HB1 ALA 59 29.009 42.503 36.833 426 HB2 ALA 59 HB2 ALA 59 30.561 41.822 37.389 427 HB3 ALA 59 HB3 ALA 59 29.215 40.738 37.009 428 H SER 60 H SER 60 27.121 43.516 38.854 429 HA SER 60 HA SER 60 24.925 41.656 38.288 430 HB2 SER 60 HB2 SER 60 23.621 42.407 40.291 431 HB3 SER 60 HB1 SER 60 24.978 41.321 40.633 432 HG SER 60 HG SER 60 24.878 43.061 42.078 433 H ARG 61 H ARG 61 24.762 42.876 36.400 434 HA ARG 61 HA ARG 61 24.162 45.761 36.580 435 HB2 ARG 61 HB2 ARG 61 24.054 45.764 34.180 436 HB3 ARG 61 HB1 ARG 61 25.508 44.912 34.688 437 HG2 ARG 61 HG2 ARG 61 24.497 42.750 34.213 438 HG3 ARG 61 HG1 ARG 61 22.935 43.483 33.877 439 HD2 ARG 61 HD2 ARG 61 25.475 43.896 32.263 440 HD3 ARG 61 HD1 ARG 61 24.108 42.850 31.832 441 HE ARG 61 HE ARG 61 23.320 45.616 32.284 442 HH11 ARG 61 1HH1 ARG 61 24.344 43.344 29.824 443 HH12 ARG 61 2HH1 ARG 61 23.796 44.347 28.521 444 HH21 ARG 61 1HH2 ARG 61 22.716 46.922 30.536 445 HH22 ARG 61 2HH2 ARG 61 22.899 46.311 28.925 446 H LYS 62 H LYS 62 22.217 46.493 35.185 447 HA LYS 62 HA LYS 62 19.753 45.586 36.396 448 HB2 LYS 62 HB2 LYS 62 20.241 47.297 33.909 449 HB3 LYS 62 HB1 LYS 62 18.696 47.147 34.726 450 HG2 LYS 62 HG2 LYS 62 21.233 48.370 35.910 451 HG3 LYS 62 HG1 LYS 62 19.868 49.262 35.271 452 HD2 LYS 62 HD2 LYS 62 19.812 47.426 37.719 453 HD3 LYS 62 HD1 LYS 62 19.867 49.178 37.743 454 HE2 LYS 62 HE2 LYS 62 17.587 47.509 36.604 455 HE3 LYS 62 HE1 LYS 62 17.601 48.282 38.193 456 HZ1 LYS 62 HZ1 LYS 62 16.426 49.642 36.586 457 HZ2 LYS 62 HZ2 LYS 62 17.757 50.439 37.090 458 HZ3 LYS 62 HZ3 LYS 62 17.732 49.736 35.601 459 H GLY 63 H GLY 63 17.849 44.881 35.162 460 HA2 GLY 63 HA2 GLY 63 18.483 42.721 33.211 461 HA3 GLY 63 HA1 GLY 63 17.035 42.834 34.194 462 H GLY 64 H GLY 64 16.634 42.321 31.622 463 HA2 GLY 64 HA2 GLY 64 16.317 44.501 29.851 464 HA3 GLY 64 HA1 GLY 64 15.398 42.997 29.796 465 HA PRO 65 HA PRO 65 12.820 46.745 31.389 466 HB2 PRO 65 HB1 PRO 65 11.641 46.797 28.631 467 HB3 PRO 65 HB2 PRO 65 12.075 48.160 29.700 468 HG2 PRO 65 HG1 PRO 65 13.607 47.529 27.545 469 HG3 PRO 65 HG2 PRO 65 14.375 48.003 29.105 470 HD2 PRO 65 HD1 PRO 65 13.911 45.210 28.018 471 HD3 PRO 65 HD2 PRO 65 15.394 45.922 28.723 472 H ARG 66 H ARG 66 12.348 43.716 29.945 473 HA ARG 66 HA ARG 66 9.890 43.192 31.380 474 HB2 ARG 66 HB2 ARG 66 9.188 44.220 29.157 475 HB3 ARG 66 HB1 ARG 66 9.945 42.848 28.344 476 HG2 ARG 66 HG2 ARG 66 8.360 41.313 29.512 477 HG3 ARG 66 HG1 ARG 66 7.653 42.706 30.374 478 HD2 ARG 66 HD2 ARG 66 7.002 43.695 28.201 479 HD3 ARG 66 HD1 ARG 66 7.759 42.323 27.359 480 HE ARG 66 HE ARG 66 5.603 41.771 29.333 481 HH11 ARG 66 1HH1 ARG 66 6.522 41.775 25.950 482 HH12 ARG 66 2HH1 ARG 66 5.144 40.818 25.488 483 HH21 ARG 66 1HH2 ARG 66 3.868 40.567 28.666 484 HH22 ARG 66 2HH2 ARG 66 3.668 40.179 26.982 485 H ARG 67 H ARG 67 9.463 40.866 31.405 486 HA ARG 67 HA ARG 67 11.525 39.089 30.315 487 HB2 ARG 67 HB2 ARG 67 11.679 37.812 32.414 488 HB3 ARG 67 HB1 ARG 67 12.287 39.463 32.568 489 HG2 ARG 67 HG2 ARG 67 10.051 40.107 33.625 490 HG3 ARG 67 HG1 ARG 67 9.595 38.399 33.541 491 HD2 ARG 67 HD2 ARG 67 10.374 38.912 35.762 492 HD3 ARG 67 HD1 ARG 67 11.528 37.807 34.974 493 HE ARG 67 HE ARG 67 12.439 40.413 34.453 494 HH11 ARG 67 1HH1 ARG 67 11.966 38.447 37.294 495 HH12 ARG 67 2HH1 ARG 67 13.238 39.209 38.199 496 HH21 ARG 67 1HH2 ARG 67 14.059 41.393 35.644 497 HH22 ARG 67 2HH2 ARG 67 14.412 40.842 37.261 498 HA PRO 68 HA PRO 68 7.754 36.782 29.450 499 HB2 PRO 68 HB1 PRO 68 8.805 34.415 28.622 500 HB3 PRO 68 HB2 PRO 68 8.971 35.913 27.649 501 HG2 PRO 68 HG1 PRO 68 11.004 34.669 29.522 502 HG3 PRO 68 HG2 PRO 68 11.260 35.309 27.871 503 HD2 PRO 68 HD1 PRO 68 11.777 36.750 30.159 504 HD3 PRO 68 HD2 PRO 68 11.261 37.510 28.619 Start of MODEL 4 1 H PCA 1 H PGA 1 29.304 27.768 36.555 2 HA PCA 1 HA PGA 1 28.376 27.661 39.092 3 HB2 PCA 1 HB1 PGA 1 30.511 29.741 39.475 4 HB3 PCA 1 HB2 PGA 1 29.923 28.507 40.632 5 HG2 PCA 1 HG1 PGA 1 32.305 28.299 39.198 6 HG3 PCA 1 HG2 PGA 1 31.337 26.872 39.720 7 H ASP 2 H ASP 2 27.930 30.126 40.194 8 HA ASP 2 HA ASP 2 26.219 31.448 38.302 9 HB2 ASP 2 HB2 ASP 2 26.032 33.147 40.151 10 HB3 ASP 2 HB1 ASP 2 25.625 31.499 40.583 11 H ARG 3 H ARG 3 29.535 32.071 39.319 12 HA ARG 3 HA ARG 3 29.746 34.302 37.321 13 HB2 ARG 3 HB2 ARG 3 31.641 34.142 39.661 14 HB3 ARG 3 HB1 ARG 3 31.146 35.548 38.697 15 HG2 ARG 3 HG2 ARG 3 29.573 34.238 40.850 16 HG3 ARG 3 HG1 ARG 3 30.352 35.798 40.924 17 HD2 ARG 3 HD2 ARG 3 28.888 36.741 39.237 18 HD3 ARG 3 HD1 ARG 3 28.223 35.190 38.835 19 HE ARG 3 HE ARG 3 27.574 35.292 41.435 20 HH11 ARG 3 1HH1 ARG 3 26.789 36.879 38.485 21 HH12 ARG 3 2HH1 ARG 3 25.570 37.922 39.122 22 HH21 ARG 3 1HH2 ARG 3 25.733 36.397 42.222 23 HH22 ARG 3 2HH2 ARG 3 24.760 37.342 41.073 24 HA PRO 4 HA PRO 4 32.785 32.001 35.338 25 HB2 PRO 4 HB1 PRO 4 35.179 33.309 35.137 26 HB3 PRO 4 HB2 PRO 4 33.712 33.765 34.223 27 HG2 PRO 4 HG1 PRO 4 34.856 35.016 36.695 28 HG3 PRO 4 HG2 PRO 4 34.077 35.820 35.299 29 HD2 PRO 4 HD1 PRO 4 32.881 35.272 37.694 30 HD3 PRO 4 HD2 PRO 4 31.954 35.445 36.169 31 H LYS 5 H LYS 5 33.928 30.212 35.773 32 HA LYS 5 HA LYS 5 34.899 29.594 38.351 33 HB2 LYS 5 HB2 LYS 5 35.631 27.509 37.452 34 HB3 LYS 5 HB1 LYS 5 34.103 27.957 36.676 35 HG2 LYS 5 HG2 LYS 5 35.404 28.797 34.682 36 HG3 LYS 5 HG1 LYS 5 36.902 28.219 35.457 37 HD2 LYS 5 HD2 LYS 5 35.970 25.920 35.534 38 HD3 LYS 5 HD1 LYS 5 34.512 26.477 34.699 39 HE2 LYS 5 HE2 LYS 5 37.379 26.631 33.621 40 HE3 LYS 5 HE1 LYS 5 36.204 25.379 33.210 41 HZ1 LYS 5 HZ1 LYS 5 36.240 27.091 31.522 42 HZ2 LYS 5 HZ2 LYS 5 34.779 27.106 32.260 43 HZ3 LYS 5 HZ3 LYS 5 35.894 28.267 32.611 44 H PHE 6 H PHE 6 36.648 31.221 35.789 45 HA PHE 6 HA PHE 6 39.294 30.504 36.732 46 HB2 PHE 6 HB2 PHE 6 40.086 32.367 35.356 47 HB3 PHE 6 HB1 PHE 6 39.038 31.264 34.485 48 HD1 PHE 6 HD1 PHE 6 38.840 34.493 36.437 49 HD2 PHE 6 HD2 PHE 6 37.511 32.248 32.997 50 HE1 PHE 6 HE1 PHE 6 37.522 36.410 35.698 51 HE2 PHE 6 HE2 PHE 6 36.223 34.225 32.228 52 HZ PHE 6 HZ PHE 6 36.213 36.311 33.579 53 H CYS 7 H CYS 7 36.885 32.592 38.067 54 HA CYS 7 HA CYS 7 38.482 34.348 39.603 55 HB2 CYS 7 HB2 CYS 7 35.796 33.021 39.979 56 HB3 CYS 7 HB1 CYS 7 36.478 34.046 41.204 57 H TYR 8 H TYR 8 37.875 30.860 40.010 58 HA TYR 8 HA TYR 8 38.723 30.813 42.813 59 HB2 TYR 8 HB2 TYR 8 38.112 28.624 40.794 60 HB3 TYR 8 HB1 TYR 8 38.517 28.341 42.482 61 HD1 TYR 8 HD1 TYR 8 35.989 30.153 40.335 62 HD2 TYR 8 HD2 TYR 8 36.842 28.270 44.117 63 HE1 TYR 8 HE1 TYR 8 33.609 30.377 40.978 64 HE2 TYR 8 HE2 TYR 8 34.442 28.474 44.750 65 HH TYR 8 HH TYR 8 32.352 29.152 44.065 66 H LEU 9 H LEU 9 40.436 31.179 39.977 67 HA LEU 9 HA LEU 9 42.784 29.571 40.720 68 HB2 LEU 9 HB2 LEU 9 42.357 31.651 38.563 69 HB3 LEU 9 HB1 LEU 9 43.764 30.621 38.729 70 HG LEU 9 HG LEU 9 40.941 29.520 38.272 71 HD11 LEU 9 1HD1 LEU 9 41.526 29.299 35.932 72 HD12 LEU 9 2HD1 LEU 9 41.669 31.001 36.406 73 HD13 LEU 9 3HD1 LEU 9 43.132 30.020 36.222 74 HD21 LEU 9 1HD2 LEU 9 42.181 27.506 37.530 75 HD22 LEU 9 2HD2 LEU 9 43.715 28.297 37.929 76 HD23 LEU 9 3HD2 LEU 9 42.556 27.894 39.214 77 HA PRO 10 HA PRO 10 44.063 32.914 43.574 78 HB2 PRO 10 HB1 PRO 10 46.659 31.440 43.130 79 HB3 PRO 10 HB2 PRO 10 45.997 32.108 44.647 80 HG2 PRO 10 HG1 PRO 10 45.763 29.475 44.155 81 HG3 PRO 10 HG2 PRO 10 44.334 30.379 44.760 82 HD2 PRO 10 HD1 PRO 10 44.976 29.585 41.913 83 HD3 PRO 10 HD2 PRO 10 43.433 29.440 42.800 84 H ASP 11 H ASP 11 45.824 34.633 43.562 85 HA ASP 11 HA ASP 11 45.872 35.981 41.066 86 HB2 ASP 11 HB2 ASP 11 47.577 37.425 42.115 87 HB3 ASP 11 HB1 ASP 11 46.083 37.280 43.014 88 H ASP 12 H ASP 12 46.929 35.552 39.284 89 HA ASP 12 HA ASP 12 49.467 33.981 39.399 90 HB2 ASP 12 HB2 ASP 12 47.549 32.728 38.506 91 HB3 ASP 12 HB1 ASP 12 47.369 33.952 37.248 92 HA PRO 13 HA PRO 13 50.586 38.112 37.547 93 HB2 PRO 13 HB1 PRO 13 53.077 38.177 38.834 94 HB3 PRO 13 HB2 PRO 13 51.567 38.841 39.498 95 HG2 PRO 13 HG1 PRO 13 52.767 36.173 40.119 96 HG3 PRO 13 HG2 PRO 13 52.141 37.419 41.244 97 HD2 PRO 13 HD1 PRO 13 50.641 35.326 40.511 98 HD3 PRO 13 HD2 PRO 13 49.899 36.947 40.652 99 H GLY 14 H GLY 14 51.627 34.901 37.427 100 HA2 GLY 14 HA2 GLY 14 52.663 33.782 35.678 101 HA3 GLY 14 HA1 GLY 14 53.303 35.309 35.050 102 H VAL 15 H VAL 15 55.415 34.587 34.905 103 HA VAL 15 HA VAL 15 56.857 33.879 37.441 104 HB VAL 15 HB VAL 15 58.276 32.422 36.108 105 HG11 VAL 15 1HG1 VAL 15 56.692 30.650 35.653 106 HG12 VAL 15 2HG1 VAL 15 56.171 31.527 37.101 107 HG13 VAL 15 3HG1 VAL 15 55.344 31.800 35.557 108 HG21 VAL 15 1HG2 VAL 15 57.761 31.881 33.773 109 HG22 VAL 15 2HG2 VAL 15 56.482 33.091 33.728 110 HG23 VAL 15 3HG2 VAL 15 58.190 33.581 33.921 111 H CYS 16 H CYS 16 56.583 36.521 35.754 112 HA CYS 16 HA CYS 16 59.424 37.036 35.094 113 HB2 CYS 16 HB2 CYS 16 56.823 38.335 34.519 114 HB3 CYS 16 HB1 CYS 16 58.170 39.435 34.754 115 H LYS 17 H LYS 17 60.661 38.660 35.985 116 HA LYS 17 HA LYS 17 60.088 39.204 38.864 117 HB2 LYS 17 HB2 LYS 17 62.750 39.245 37.394 118 HB3 LYS 17 HB1 LYS 17 62.485 39.593 39.089 119 HG2 LYS 17 HG2 LYS 17 63.243 37.413 39.150 120 HG3 LYS 17 HG1 LYS 17 61.500 37.255 39.345 121 HD2 LYS 17 HD2 LYS 17 62.421 35.508 37.887 122 HD3 LYS 17 HD1 LYS 17 61.275 36.474 37.015 123 HE2 LYS 17 HE2 LYS 17 63.156 36.037 35.575 124 HE3 LYS 17 HE1 LYS 17 63.161 37.758 35.967 125 HZ1 LYS 17 HZ1 LYS 17 65.378 36.798 36.175 126 HZ2 LYS 17 HZ2 LYS 17 64.856 37.295 37.655 127 HZ3 LYS 17 HZ3 LYS 17 64.851 35.694 37.272 128 H ALA 18 H ALA 18 58.541 40.820 38.013 129 HA ALA 18 HA ALA 18 59.917 43.448 37.722 130 HB1 ALA 18 HB1 ALA 18 58.393 44.181 36.005 131 HB2 ALA 18 HB2 ALA 18 59.100 42.648 35.473 132 HB3 ALA 18 HB3 ALA 18 57.450 42.692 36.138 133 H HIS 19 H HIS 19 57.468 44.939 37.658 134 HA HIS 19 HA HIS 19 55.923 44.161 39.969 135 HB2 HIS 19 HB2 HIS 19 58.029 45.154 40.956 136 HB3 HIS 19 HB1 HIS 19 57.621 46.681 40.203 137 HD1 HIS 19 HD1 HIS 19 57.582 45.396 43.428 138 HD2 HIS 19 HD2 HIS 19 54.679 47.276 41.016 139 HE1 HIS 19 HE1 HIS 19 55.848 46.435 45.048 140 HE2 HIS 19 HE2 HIS 19 54.051 47.529 43.555 141 H ILE 20 H ILE 20 54.021 44.396 38.809 142 HA ILE 20 HA ILE 20 53.343 47.223 38.065 143 HB ILE 20 HB ILE 20 52.304 44.797 36.601 144 HG12 ILE 20 2HG1 ILE 20 54.734 46.493 35.990 145 HG13 ILE 20 1HG1 ILE 20 54.670 44.744 36.207 146 HG21 ILE 20 1HG2 ILE 20 51.659 46.560 34.953 147 HG22 ILE 20 2HG2 ILE 20 50.896 46.807 36.520 148 HG23 ILE 20 3HG2 ILE 20 52.303 47.784 36.037 149 HD11 ILE 20 HD1 ILE 20 54.935 45.113 33.899 150 HD12 ILE 20 HD2 ILE 20 53.231 44.655 34.085 151 HD13 ILE 20 HD3 ILE 20 53.676 46.354 33.844 152 HA PRO 21 HA PRO 21 50.136 46.480 41.171 153 HB2 PRO 21 HB1 PRO 21 48.866 48.874 39.861 154 HB3 PRO 21 HB2 PRO 21 49.130 48.542 41.596 155 HG2 PRO 21 HG1 PRO 21 50.731 50.275 40.262 156 HG3 PRO 21 HG2 PRO 21 51.433 49.110 41.428 157 HD2 PRO 21 HD1 PRO 21 51.308 48.906 38.407 158 HD3 PRO 21 HD2 PRO 21 52.692 48.591 39.519 159 H ARG 22 H ARG 22 48.730 44.839 40.838 160 HA ARG 22 HA ARG 22 46.743 44.999 38.637 161 HB2 ARG 22 HB2 ARG 22 48.940 43.656 38.116 162 HB3 ARG 22 HB1 ARG 22 48.303 42.461 39.242 163 HG2 ARG 22 HG2 ARG 22 47.746 41.781 36.997 164 HG3 ARG 22 HG1 ARG 22 46.244 42.266 37.772 165 HD2 ARG 22 HD2 ARG 22 46.278 43.145 35.518 166 HD3 ARG 22 HD1 ARG 22 46.453 44.500 36.615 167 HE ARG 22 HE ARG 22 48.997 43.364 35.658 168 HH11 ARG 22 1HH1 ARG 22 46.442 45.471 34.670 169 HH12 ARG 22 2HH1 ARG 22 47.356 46.527 33.798 170 HH21 ARG 22 1HH2 ARG 22 50.238 44.637 34.260 171 HH22 ARG 22 2HH2 ARG 22 49.519 46.084 33.593 172 H PHE 23 H PHE 23 44.997 43.382 38.968 173 HA PHE 23 HA PHE 23 44.553 42.815 41.855 174 HB2 PHE 23 HB2 PHE 23 42.723 44.247 39.910 175 HB3 PHE 23 HB1 PHE 23 42.179 43.585 41.445 176 HD1 PHE 23 HD1 PHE 23 42.350 44.894 43.422 177 HD2 PHE 23 HD2 PHE 23 44.703 45.957 39.972 178 HE1 PHE 23 HE1 PHE 23 43.045 47.029 44.523 179 HE2 PHE 23 HE2 PHE 23 45.357 48.071 41.062 180 HZ PHE 23 HZ PHE 23 44.514 48.622 43.317 181 H TYR 24 H TYR 24 43.015 41.198 42.329 182 HA TYR 24 HA TYR 24 41.977 39.549 40.111 183 HB2 TYR 24 HB2 TYR 24 43.435 37.888 40.241 184 HB3 TYR 24 HB1 TYR 24 44.430 38.843 41.291 185 HD1 TYR 24 HD1 TYR 24 43.671 38.805 43.830 186 HD2 TYR 24 HD2 TYR 24 42.954 35.762 40.933 187 HE1 TYR 24 HE1 TYR 24 43.363 37.094 45.674 188 HE2 TYR 24 HE2 TYR 24 42.366 34.151 42.742 189 HH TYR 24 HH TYR 24 42.402 33.761 44.955 190 H TYR 25 H TYR 25 40.345 37.973 40.904 191 HA TYR 25 HA TYR 25 38.968 39.035 43.349 192 HB2 TYR 25 HB2 TYR 25 37.517 38.987 41.407 193 HB3 TYR 25 HB1 TYR 25 37.891 37.275 41.130 194 HD1 TYR 25 HD1 TYR 25 36.475 39.757 43.538 195 HD2 TYR 25 HD2 TYR 25 36.484 35.711 42.207 196 HE1 TYR 25 HE1 TYR 25 34.513 39.285 45.011 197 HE2 TYR 25 HE2 TYR 25 34.413 35.248 43.528 198 HH TYR 25 HH TYR 25 32.891 36.116 45.031 199 H ASN 26 H ASN 26 39.080 37.954 45.196 200 HA ASN 26 HA ASN 26 39.949 35.123 45.162 201 HB2 ASN 26 HB2 ASN 26 41.290 36.719 46.505 202 HB3 ASN 26 HB1 ASN 26 39.866 37.084 47.472 203 HD21 ASN 26 1HD2 ASN 26 41.429 36.261 49.209 204 HD22 ASN 26 2HD2 ASN 26 41.264 34.523 49.505 205 HA PRO 27 HA PRO 27 35.407 34.619 45.966 206 HB2 PRO 27 HB1 PRO 27 35.287 31.956 45.217 207 HB3 PRO 27 HB2 PRO 27 35.135 33.311 44.068 208 HG2 PRO 27 HG1 PRO 27 37.575 31.672 44.702 209 HG3 PRO 27 HG2 PRO 27 36.949 32.205 43.110 210 HD2 PRO 27 HD1 PRO 27 38.990 33.480 44.375 211 HD3 PRO 27 HD2 PRO 27 37.775 34.386 43.422 212 H ALA 28 H ALA 28 38.279 32.823 47.088 213 HA ALA 28 HA ALA 28 36.968 31.323 49.135 214 HB1 ALA 28 HB1 ALA 28 39.175 30.906 49.960 215 HB2 ALA 28 HB2 ALA 28 39.292 30.928 48.192 216 HB3 ALA 28 HB3 ALA 28 39.848 32.322 49.144 217 H SER 29 H SER 29 37.263 34.672 48.894 218 HA SER 29 HA SER 29 36.311 34.926 51.699 219 HB2 SER 29 HB2 SER 29 38.569 36.599 50.555 220 HB3 SER 29 HB1 SER 29 37.795 36.847 52.142 221 HG SER 29 HG SER 29 38.586 34.346 52.036 222 H ASN 30 H ASN 30 35.406 35.322 48.703 223 HA ASN 30 HA ASN 30 34.336 36.816 47.380 224 HB2 ASN 30 HB2 ASN 30 32.709 36.025 49.149 225 HB3 ASN 30 HB1 ASN 30 32.937 37.559 49.986 226 HD21 ASN 30 1HD2 ASN 30 32.449 39.503 48.569 227 HD22 ASN 30 2HD2 ASN 30 31.299 39.307 47.263 228 H LYS 31 H LYS 31 36.820 37.917 47.862 229 HA LYS 31 HA LYS 31 36.234 40.807 47.690 230 HB2 LYS 31 HB2 LYS 31 37.858 41.484 49.421 231 HB3 LYS 31 HB1 LYS 31 36.478 40.608 50.055 232 HG2 LYS 31 HG2 LYS 31 38.099 39.643 51.274 233 HG3 LYS 31 HG1 LYS 31 38.029 38.506 49.938 234 HD2 LYS 31 HD2 LYS 31 40.025 39.651 48.912 235 HD3 LYS 31 HD1 LYS 31 40.104 40.707 50.319 236 HE2 LYS 31 HE2 LYS 31 40.323 37.657 50.316 237 HE3 LYS 31 HE1 LYS 31 41.692 38.777 50.432 238 HZ1 LYS 31 HZ1 LYS 31 40.999 37.907 52.605 239 HZ2 LYS 31 HZ2 LYS 31 40.820 39.547 52.555 240 HZ3 LYS 31 HZ3 LYS 31 39.512 38.547 52.440 241 H CYS 32 H CYS 32 37.898 42.082 46.809 242 HA CYS 32 HA CYS 32 39.772 40.493 45.124 243 HB2 CYS 32 HB2 CYS 32 39.166 43.453 44.961 244 HB3 CYS 32 HB1 CYS 32 39.944 42.427 43.747 245 H LYS 33 H LYS 33 41.986 41.201 44.924 246 HA LYS 33 HA LYS 33 43.064 42.941 47.082 247 HB2 LYS 33 HB2 LYS 33 44.968 41.462 47.478 248 HB3 LYS 33 HB1 LYS 33 43.461 40.644 47.919 249 HG2 LYS 33 HG2 LYS 33 43.509 39.265 46.016 250 HG3 LYS 33 HG1 LYS 33 44.652 40.291 45.158 251 HD2 LYS 33 HD2 LYS 33 45.905 38.482 45.616 252 HD3 LYS 33 HD1 LYS 33 46.427 39.648 46.818 253 HE2 LYS 33 HE2 LYS 33 45.240 38.457 48.586 254 HE3 LYS 33 HE1 LYS 33 44.388 37.451 47.378 255 HZ1 LYS 33 HZ1 LYS 33 46.275 36.174 48.192 256 HZ2 LYS 33 HZ2 LYS 33 46.589 36.597 46.645 257 HZ3 LYS 33 HZ3 LYS 33 47.331 37.392 47.822 258 H GLU 34 H GLU 34 45.282 43.657 46.582 259 HA GLU 34 HA GLU 34 45.716 44.073 43.676 260 HB2 GLU 34 HB2 GLU 34 45.465 46.061 45.163 261 HB3 GLU 34 HB1 GLU 34 46.891 45.544 46.057 262 HG2 GLU 34 HG2 GLU 34 48.223 45.663 43.937 263 HG3 GLU 34 HG1 GLU 34 46.796 46.240 43.092 264 H PHE 35 H PHE 35 47.199 42.699 42.825 265 HA PHE 35 HA PHE 35 49.332 41.536 44.553 266 HB2 PHE 35 HB2 PHE 35 49.370 39.560 43.342 267 HB3 PHE 35 HB1 PHE 35 47.675 39.842 43.666 268 HD1 PHE 35 HD1 PHE 35 46.112 40.105 41.821 269 HD2 PHE 35 HD2 PHE 35 50.324 39.939 41.075 270 HE1 PHE 35 HE1 PHE 35 45.669 39.673 39.396 271 HE2 PHE 35 HE2 PHE 35 49.871 39.738 38.638 272 HZ PHE 35 HZ PHE 35 47.563 39.495 37.815 273 H ILE 36 H ILE 36 51.380 41.189 43.415 274 HA ILE 36 HA ILE 36 51.958 43.471 41.593 275 HB ILE 36 HB ILE 36 53.620 41.778 43.456 276 HG12 ILE 36 2HG1 ILE 36 54.593 44.020 43.950 277 HG13 ILE 36 1HG1 ILE 36 53.511 44.745 42.750 278 HG21 ILE 36 1HG2 ILE 36 55.668 42.892 42.301 279 HG22 ILE 36 2HG2 ILE 36 54.959 41.489 41.517 280 HG23 ILE 36 3HG2 ILE 36 54.568 43.096 40.914 281 HD11 ILE 36 HD1 ILE 36 52.796 45.067 45.118 282 HD12 ILE 36 HD2 ILE 36 51.570 44.233 44.154 283 HD13 ILE 36 HD3 ILE 36 52.603 43.307 45.284 284 H TYR 37 H TYR 37 51.719 43.131 39.540 285 HA TYR 37 HA TYR 37 52.065 40.475 38.348 286 HB2 TYR 37 HB2 TYR 37 50.185 41.803 37.733 287 HB3 TYR 37 HB1 TYR 37 51.193 43.131 37.222 288 HD1 TYR 37 HD1 TYR 37 49.835 39.817 36.367 289 HD2 TYR 37 HD2 TYR 37 52.545 42.940 35.143 290 HE1 TYR 37 HE1 TYR 37 49.958 38.826 34.093 291 HE2 TYR 37 HE2 TYR 37 52.529 42.039 32.827 292 HH TYR 37 HH TYR 37 51.759 40.353 31.423 293 H GLY 38 H GLY 38 53.478 39.847 36.822 294 HA2 GLY 38 HA2 GLY 38 56.109 41.196 36.845 295 HA3 GLY 38 HA1 GLY 38 55.756 39.564 36.287 296 H GLY 39 H GLY 39 54.597 39.325 34.241 297 HA2 GLY 39 HA2 GLY 39 54.199 40.895 32.117 298 HA3 GLY 39 HA1 GLY 39 55.927 41.135 32.282 299 H CYS 40 H CYS 40 55.033 37.930 33.154 300 HA CYS 40 HA CYS 40 56.221 36.967 30.586 301 HB2 CYS 40 HB2 CYS 40 56.059 35.820 33.379 302 HB3 CYS 40 HB1 CYS 40 56.369 34.803 31.978 303 H GLY 41 H GLY 41 53.645 36.039 32.922 304 HA2 GLY 41 HA2 GLY 41 51.928 35.120 30.710 305 HA3 GLY 41 HA1 GLY 41 52.338 33.945 31.972 306 H GLY 42 H GLY 42 49.935 34.048 32.195 307 HA2 GLY 42 HA2 GLY 42 49.219 35.059 34.620 308 HA3 GLY 42 HA1 GLY 42 48.676 36.314 33.486 309 H ASN 43 H ASN 43 46.902 34.912 35.046 310 HA ASN 43 HA ASN 43 45.529 33.044 33.184 311 HB2 ASN 43 HB2 ASN 43 44.310 32.274 35.109 312 HB3 ASN 43 HB1 ASN 43 46.024 32.305 35.505 313 HD21 ASN 43 1HD2 ASN 43 44.582 32.136 37.624 314 HD22 ASN 43 2HD2 ASN 43 44.490 33.650 38.456 315 H ALA 44 H ALA 44 43.037 33.236 33.316 316 HA ALA 44 HA ALA 44 42.201 35.833 32.411 317 HB1 ALA 44 HB1 ALA 44 39.973 34.743 32.282 318 HB2 ALA 44 HB2 ALA 44 41.243 33.739 31.566 319 HB3 ALA 44 HB3 ALA 44 40.609 33.347 33.179 320 H ASN 45 H ASN 45 43.005 35.267 35.496 321 HA ASN 45 HA ASN 45 40.717 36.733 36.715 322 HB2 ASN 45 HB2 ASN 45 41.612 34.417 37.629 323 HB3 ASN 45 HB1 ASN 45 42.923 35.390 38.284 324 HD21 ASN 45 1HD2 ASN 45 41.436 33.988 40.019 325 HD22 ASN 45 2HD2 ASN 45 40.403 35.063 40.928 326 H ASN 46 H ASN 46 43.144 37.634 34.957 327 HA ASN 46 HA ASN 46 44.568 39.442 36.750 328 HB2 ASN 46 HB2 ASN 46 45.779 40.052 34.735 329 HB3 ASN 46 HB1 ASN 46 45.726 38.302 34.902 330 HD21 ASN 46 1HD2 ASN 46 46.093 40.101 32.489 331 HD22 ASN 46 2HD2 ASN 46 44.829 39.517 31.403 332 H PHE 47 H PHE 47 43.538 41.216 37.466 333 HA PHE 47 HA PHE 47 41.838 42.747 35.533 334 HB2 PHE 47 HB2 PHE 47 41.663 42.911 38.530 335 HB3 PHE 47 HB1 PHE 47 40.521 43.517 37.350 336 HD1 PHE 47 HD1 PHE 47 40.365 40.909 35.630 337 HD2 PHE 47 HD2 PHE 47 40.282 41.648 39.866 338 HE1 PHE 47 HE1 PHE 47 39.239 38.761 35.983 339 HE2 PHE 47 HE2 PHE 47 38.847 39.690 40.143 340 HZ PHE 47 HZ PHE 47 38.364 38.152 38.253 341 H GLU 48 H GLU 48 41.960 44.927 35.465 342 HA GLU 48 HA GLU 48 44.520 46.099 36.138 343 HB2 GLU 48 HB2 GLU 48 41.975 47.486 35.203 344 HB3 GLU 48 HB1 GLU 48 43.627 48.094 35.085 345 HG2 GLU 48 HG2 GLU 48 42.448 45.718 33.568 346 HG3 GLU 48 HG1 GLU 48 42.899 47.285 32.918 347 H THR 49 H THR 49 41.299 46.417 37.558 348 HA THR 49 HA THR 49 42.422 47.438 40.061 349 HB THR 49 HB THR 49 40.960 49.400 40.230 350 HG1 THR 49 HG1 THR 49 40.691 49.277 37.466 351 HG21 THR 49 1HG2 THR 49 42.229 50.983 39.001 352 HG22 THR 49 2HG2 THR 49 43.340 49.716 39.564 353 HG23 THR 49 3HG2 THR 49 42.816 49.758 37.866 354 H ARG 50 H ARG 50 40.697 47.847 41.703 355 HA ARG 50 HA ARG 50 38.890 45.729 42.066 356 HB2 ARG 50 HB2 ARG 50 38.616 48.574 43.089 357 HB3 ARG 50 HB1 ARG 50 37.775 47.168 43.763 358 HG2 ARG 50 HG2 ARG 50 39.874 46.170 44.489 359 HG3 ARG 50 HG1 ARG 50 40.807 47.466 43.717 360 HD2 ARG 50 HD2 ARG 50 38.852 47.868 46.006 361 HD3 ARG 50 HD1 ARG 50 40.600 47.758 46.163 362 HE ARG 50 HE ARG 50 40.842 49.781 44.787 363 HH11 ARG 50 1HH1 ARG 50 37.815 49.401 46.493 364 HH12 ARG 50 2HH1 ARG 50 37.418 51.090 46.339 365 HH21 ARG 50 1HH2 ARG 50 40.275 51.921 44.638 366 HH22 ARG 50 2HH2 ARG 50 38.785 52.485 45.313 367 H ALA 51 H ALA 51 38.362 48.580 40.074 368 HA ALA 51 HA ALA 51 35.481 48.532 40.061 369 HB1 ALA 51 HB1 ALA 51 35.762 49.932 38.039 370 HB2 ALA 51 HB2 ALA 51 36.813 50.498 39.362 371 HB3 ALA 51 HB3 ALA 51 37.493 49.561 38.007 372 H GLU 52 H GLU 52 37.955 47.170 37.835 373 HA GLU 52 HA GLU 52 36.087 45.644 36.254 374 HB2 GLU 52 HB2 GLU 52 38.182 46.298 35.342 375 HB3 GLU 52 HB1 GLU 52 39.082 45.524 36.659 376 HG2 GLU 52 HG2 GLU 52 38.422 43.311 35.929 377 HG3 GLU 52 HG1 GLU 52 37.229 43.976 34.798 378 H CYS 53 H CYS 53 38.215 44.766 39.060 379 HA CYS 53 HA CYS 53 37.623 42.076 39.124 380 HB2 CYS 53 HB2 CYS 53 38.542 42.025 41.198 381 HB3 CYS 53 HB1 CYS 53 39.060 43.643 40.738 382 H ARG 54 H ARG 54 35.517 44.652 40.210 383 HA ARG 54 HA ARG 54 33.411 42.878 41.207 384 HB2 ARG 54 HB2 ARG 54 33.690 45.172 42.060 385 HB3 ARG 54 HB1 ARG 54 33.404 45.835 40.443 386 HG2 ARG 54 HG2 ARG 54 31.103 44.886 40.453 387 HG3 ARG 54 HG1 ARG 54 31.389 44.203 42.070 388 HD2 ARG 54 HD2 ARG 54 31.746 46.447 42.975 389 HD3 ARG 54 HD1 ARG 54 31.541 47.150 41.349 390 HE ARG 54 HE ARG 54 29.242 45.603 41.872 391 HH11 ARG 54 1HH1 ARG 54 30.706 48.548 43.070 392 HH12 ARG 54 2HH1 ARG 54 29.189 49.261 43.524 393 HH21 ARG 54 1HH2 ARG 54 27.294 46.607 42.418 394 HH22 ARG 54 2HH2 ARG 54 27.304 48.180 43.151 395 H HIS 55 H HIS 55 33.959 44.654 38.126 396 HA HIS 55 HA HIS 55 31.435 43.769 36.983 397 HB2 HIS 55 HB2 HIS 55 32.737 45.826 36.282 398 HB3 HIS 55 HB1 HIS 55 33.918 44.751 35.535 399 HD1 HIS 55 HD1 HIS 55 33.121 43.501 33.279 400 HD2 HIS 55 HD2 HIS 55 30.304 46.071 35.085 401 HE1 HIS 55 HE1 HIS 55 31.247 43.864 31.539 402 HE2 HIS 55 HE2 HIS 55 29.531 45.430 32.646 403 H THR 56 H THR 56 34.582 42.199 37.197 404 HA THR 56 HA THR 56 33.950 40.200 35.227 405 HB THR 56 HB THR 56 36.067 40.109 37.419 406 HG1 THR 56 HG1 THR 56 37.354 40.910 35.685 407 HG21 THR 56 1HG2 THR 56 37.154 38.650 35.612 408 HG22 THR 56 2HG2 THR 56 35.761 37.915 36.425 409 HG23 THR 56 3HG2 THR 56 35.596 38.617 34.799 410 H CYS 57 H CYS 57 34.296 39.826 38.804 411 HA CYS 57 HA CYS 57 32.689 37.336 38.552 412 HB2 CYS 57 HB2 CYS 57 35.048 37.901 39.945 413 HB3 CYS 57 HB1 CYS 57 33.819 37.868 41.196 414 H VAL 58 H VAL 58 32.710 40.325 40.558 415 HA VAL 58 HA VAL 58 30.112 39.522 41.703 416 HB VAL 58 HB VAL 58 31.632 42.025 42.454 417 HG11 VAL 58 1HG1 VAL 58 30.450 41.705 44.598 418 HG12 VAL 58 2HG1 VAL 58 29.269 41.800 43.300 419 HG13 VAL 58 3HG1 VAL 58 29.688 40.223 43.984 420 HG21 VAL 58 1HG2 VAL 58 32.583 40.713 44.335 421 HG22 VAL 58 2HG2 VAL 58 31.974 39.220 43.583 422 HG23 VAL 58 3HG2 VAL 58 33.217 40.206 42.777 423 H ALA 59 H ALA 59 29.701 39.830 39.135 424 HA ALA 59 HA ALA 59 28.539 42.529 38.655 425 HB1 ALA 59 HB1 ALA 59 28.394 41.788 36.316 426 HB2 ALA 59 HB2 ALA 59 30.044 41.600 36.962 427 HB3 ALA 59 HB3 ALA 59 29.006 40.180 36.783 428 H SER 60 H SER 60 26.325 42.828 38.250 429 HA SER 60 HA SER 60 24.096 42.492 38.809 430 HB2 SER 60 HB2 SER 60 24.672 40.093 37.048 431 HB3 SER 60 HB1 SER 60 23.077 40.835 37.341 432 HG SER 60 HG SER 60 24.096 41.666 35.452 433 H ARG 61 H ARG 61 24.861 42.062 41.122 434 HA ARG 61 HA ARG 61 24.067 39.317 42.023 435 HB2 ARG 61 HB2 ARG 61 26.441 39.947 42.436 436 HB3 ARG 61 HB1 ARG 61 25.876 41.272 43.452 437 HG2 ARG 61 HG2 ARG 61 24.644 39.470 44.872 438 HG3 ARG 61 HG1 ARG 61 25.449 38.265 43.859 439 HD2 ARG 61 HD2 ARG 61 26.658 38.534 45.916 440 HD3 ARG 61 HD1 ARG 61 27.648 39.167 44.588 441 HE ARG 61 HE ARG 61 26.113 41.303 45.695 442 HH11 ARG 61 1HH1 ARG 61 28.736 39.216 46.744 443 HH12 ARG 61 2HH1 ARG 61 29.350 40.381 47.868 444 HH21 ARG 61 1HH2 ARG 61 27.012 42.799 47.092 445 HH22 ARG 61 2HH2 ARG 61 28.449 42.402 47.985 446 H LYS 62 H LYS 62 21.881 40.156 41.707 447 HA LYS 62 HA LYS 62 19.818 40.721 42.583 448 HB2 LYS 62 HB2 LYS 62 21.268 40.483 45.276 449 HB3 LYS 62 HB1 LYS 62 19.551 40.723 45.079 450 HG2 LYS 62 HG2 LYS 62 19.813 38.465 45.524 451 HG3 LYS 62 HG1 LYS 62 19.359 38.587 43.826 452 HD2 LYS 62 HD2 LYS 62 21.679 38.073 43.153 453 HD3 LYS 62 HD1 LYS 62 22.204 38.141 44.841 454 HE2 LYS 62 HE2 LYS 62 21.992 35.828 44.199 455 HE3 LYS 62 HE1 LYS 62 20.725 36.214 45.368 456 HZ1 LYS 62 HZ1 LYS 62 19.862 34.906 43.521 457 HZ2 LYS 62 HZ2 LYS 62 19.152 36.376 43.523 458 HZ3 LYS 62 HZ3 LYS 62 20.319 36.030 42.422 459 H GLY 63 H GLY 63 18.960 42.481 44.502 460 HA2 GLY 63 HA2 GLY 63 19.768 45.085 43.412 461 HA3 GLY 63 HA1 GLY 63 18.500 44.782 44.585 462 H GLY 64 H GLY 64 19.017 44.752 46.803 463 HA2 GLY 64 HA2 GLY 64 21.447 46.234 47.502 464 HA3 GLY 64 HA1 GLY 64 20.071 45.929 48.543 465 HA PRO 65 HA PRO 65 23.537 42.742 49.450 466 HB2 PRO 65 HB1 PRO 65 24.687 44.610 51.459 467 HB3 PRO 65 HB2 PRO 65 25.525 43.594 50.266 468 HG2 PRO 65 HG1 PRO 65 25.360 46.313 49.991 469 HG3 PRO 65 HG2 PRO 65 25.261 45.217 48.564 470 HD2 PRO 65 HD1 PRO 65 22.988 46.495 50.095 471 HD3 PRO 65 HD2 PRO 65 23.275 46.417 48.329 472 H ARG 66 H ARG 66 20.947 44.089 50.775 473 HA ARG 66 HA ARG 66 21.097 42.691 53.404 474 HB2 ARG 66 HB2 ARG 66 19.792 44.457 54.427 475 HB3 ARG 66 HB1 ARG 66 21.331 45.053 53.867 476 HG2 ARG 66 HG2 ARG 66 18.867 45.386 52.108 477 HG3 ARG 66 HG1 ARG 66 19.127 46.443 53.497 478 HD2 ARG 66 HD2 ARG 66 21.320 47.108 52.667 479 HD3 ARG 66 HD1 ARG 66 21.160 46.051 51.269 480 HE ARG 66 HE ARG 66 18.932 47.712 51.178 481 HH11 ARG 66 1HH1 ARG 66 22.340 48.401 51.386 482 HH12 ARG 66 2HH1 ARG 66 22.225 49.817 50.388 483 HH21 ARG 66 1HH2 ARG 66 18.831 49.596 49.958 484 HH22 ARG 66 2HH2 ARG 66 20.267 50.484 49.615 485 H ARG 67 H ARG 67 19.918 42.089 50.649 486 HA ARG 67 HA ARG 67 18.071 41.066 49.726 487 HB2 ARG 67 HB2 ARG 67 17.288 40.509 52.597 488 HB3 ARG 67 HB1 ARG 67 16.559 39.813 51.169 489 HG2 ARG 67 HG2 ARG 67 18.587 38.639 50.585 490 HG3 ARG 67 HG1 ARG 67 19.519 39.495 51.825 491 HD2 ARG 67 HD2 ARG 67 18.937 37.218 52.557 492 HD3 ARG 67 HD1 ARG 67 18.272 38.484 53.602 493 HE ARG 67 HE ARG 67 16.523 37.375 51.460 494 HH11 ARG 67 1HH1 ARG 67 17.142 37.550 54.909 495 HH12 ARG 67 2HH1 ARG 67 15.555 36.973 55.298 496 HH21 ARG 67 1HH2 ARG 67 14.494 36.688 52.053 497 HH22 ARG 67 2HH2 ARG 67 14.118 36.486 53.729 498 HA PRO 68 HA PRO 68 15.396 44.809 50.128 499 HB2 PRO 68 HB1 PRO 68 14.856 45.127 47.479 500 HB3 PRO 68 HB2 PRO 68 16.396 45.690 48.209 501 HG2 PRO 68 HG1 PRO 68 15.877 43.103 46.693 502 HG3 PRO 68 HG2 PRO 68 17.211 44.261 46.478 503 HD2 PRO 68 HD1 PRO 68 17.448 41.998 47.972 504 HD3 PRO 68 HD2 PRO 68 18.312 43.500 48.428 Start of MODEL 5 1 H PCA 1 H PGA 1 27.285 27.871 40.699 2 HA PCA 1 HA PGA 1 27.776 29.849 42.219 3 HB2 PCA 1 HB1 PGA 1 30.318 30.690 41.513 4 HB3 PCA 1 HB2 PGA 1 30.011 29.389 42.706 5 HG2 PCA 1 HG1 PGA 1 30.814 29.117 39.807 6 HG3 PCA 1 HG2 PGA 1 31.295 28.114 41.225 7 H ASP 2 H ASP 2 26.861 31.776 41.563 8 HA ASP 2 HA ASP 2 26.427 32.548 38.927 9 HB2 ASP 2 HB2 ASP 2 26.741 34.483 41.257 10 HB3 ASP 2 HB1 ASP 2 25.715 34.672 39.829 11 H ARG 3 H ARG 3 29.321 32.875 40.695 12 HA ARG 3 HA ARG 3 30.420 35.097 39.051 13 HB2 ARG 3 HB2 ARG 3 31.508 33.638 41.512 14 HB3 ARG 3 HB1 ARG 3 32.437 34.786 40.568 15 HG2 ARG 3 HG2 ARG 3 31.654 36.028 42.409 16 HG3 ARG 3 HG1 ARG 3 30.676 36.538 41.046 17 HD2 ARG 3 HD2 ARG 3 29.313 36.347 43.022 18 HD3 ARG 3 HD1 ARG 3 28.798 35.182 41.815 19 HE ARG 3 HE ARG 3 30.741 34.073 43.690 20 HH11 ARG 3 1HH1 ARG 3 27.296 34.575 43.195 21 HH12 ARG 3 2HH1 ARG 3 26.838 33.342 44.258 22 HH21 ARG 3 1HH2 ARG 3 30.096 32.644 45.285 23 HH22 ARG 3 2HH2 ARG 3 28.398 32.405 45.573 24 HA PRO 4 HA PRO 4 32.381 32.304 36.272 25 HB2 PRO 4 HB1 PRO 4 34.883 33.428 35.874 26 HB3 PRO 4 HB2 PRO 4 33.366 34.051 35.132 27 HG2 PRO 4 HG1 PRO 4 34.717 34.944 37.680 28 HG3 PRO 4 HG2 PRO 4 34.166 35.968 36.322 29 HD2 PRO 4 HD1 PRO 4 32.625 35.668 38.519 30 HD3 PRO 4 HD2 PRO 4 31.851 35.587 36.902 31 H LYS 5 H LYS 5 33.594 30.523 36.325 32 HA LYS 5 HA LYS 5 34.698 29.524 38.761 33 HB2 LYS 5 HB2 LYS 5 35.217 28.471 35.960 34 HB3 LYS 5 HB1 LYS 5 35.328 27.576 37.478 35 HG2 LYS 5 HG2 LYS 5 32.887 27.852 37.843 36 HG3 LYS 5 HG1 LYS 5 32.746 28.727 36.315 37 HD2 LYS 5 HD2 LYS 5 33.637 25.846 36.659 38 HD3 LYS 5 HD1 LYS 5 32.072 26.380 36.049 39 HE2 LYS 5 HE2 LYS 5 34.785 26.836 34.707 40 HE3 LYS 5 HE1 LYS 5 33.592 25.623 34.252 41 HZ1 LYS 5 HZ1 LYS 5 33.414 27.569 32.843 42 HZ2 LYS 5 HZ2 LYS 5 32.048 27.398 33.729 43 HZ3 LYS 5 HZ3 LYS 5 33.131 28.549 34.145 44 H PHE 6 H PHE 6 36.309 31.129 36.031 45 HA PHE 6 HA PHE 6 38.977 30.386 36.851 46 HB2 PHE 6 HB2 PHE 6 39.740 32.147 35.382 47 HB3 PHE 6 HB1 PHE 6 38.535 31.151 34.585 48 HD1 PHE 6 HD1 PHE 6 38.898 34.392 36.503 49 HD2 PHE 6 HD2 PHE 6 36.814 32.238 33.399 50 HE1 PHE 6 HE1 PHE 6 37.582 36.398 36.008 51 HE2 PHE 6 HE2 PHE 6 35.528 34.294 32.863 52 HZ PHE 6 HZ PHE 6 35.887 36.369 34.183 53 H CYS 7 H CYS 7 36.675 32.653 38.266 54 HA CYS 7 HA CYS 7 38.587 34.408 39.494 55 HB2 CYS 7 HB2 CYS 7 35.733 33.664 40.109 56 HB3 CYS 7 HB1 CYS 7 36.702 34.462 41.309 57 H TYR 8 H TYR 8 38.001 31.049 40.007 58 HA TYR 8 HA TYR 8 38.859 31.092 42.835 59 HB2 TYR 8 HB2 TYR 8 37.970 28.838 41.009 60 HB3 TYR 8 HB1 TYR 8 38.406 28.657 42.699 61 HD1 TYR 8 HD1 TYR 8 35.946 30.529 40.508 62 HD2 TYR 8 HD2 TYR 8 36.800 28.832 44.372 63 HE1 TYR 8 HE1 TYR 8 33.615 30.970 41.191 64 HE2 TYR 8 HE2 TYR 8 34.459 29.272 45.065 65 HH TYR 8 HH TYR 8 32.412 29.972 44.394 66 H LEU 9 H LEU 9 40.617 31.760 40.313 67 HA LEU 9 HA LEU 9 42.763 29.729 40.706 68 HB2 LEU 9 HB2 LEU 9 42.352 31.825 38.567 69 HB3 LEU 9 HB1 LEU 9 43.700 30.706 38.644 70 HG LEU 9 HG LEU 9 40.775 29.852 38.351 71 HD11 LEU 9 1HD1 LEU 9 41.301 29.474 36.003 72 HD12 LEU 9 2HD1 LEU 9 41.590 31.170 36.416 73 HD13 LEU 9 3HD1 LEU 9 42.957 30.058 36.252 74 HD21 LEU 9 1HD2 LEU 9 41.778 27.692 37.628 75 HD22 LEU 9 2HD2 LEU 9 43.395 28.317 38.028 76 HD23 LEU 9 3HD2 LEU 9 42.180 28.081 39.304 77 HA PRO 10 HA PRO 10 44.489 32.888 43.541 78 HB2 PRO 10 HB1 PRO 10 46.899 31.178 42.891 79 HB3 PRO 10 HB2 PRO 10 46.419 31.900 44.465 80 HG2 PRO 10 HG1 PRO 10 45.885 29.301 43.971 81 HG3 PRO 10 HG2 PRO 10 44.610 30.329 44.705 82 HD2 PRO 10 HD1 PRO 10 44.898 29.474 41.823 83 HD3 PRO 10 HD2 PRO 10 43.430 29.543 42.846 84 H ASP 11 H ASP 11 46.157 34.608 43.370 85 HA ASP 11 HA ASP 11 46.021 35.843 40.829 86 HB2 ASP 11 HB2 ASP 11 47.683 37.413 41.689 87 HB3 ASP 11 HB1 ASP 11 46.327 37.194 42.785 88 H ASP 12 H ASP 12 47.087 35.563 39.028 89 HA ASP 12 HA ASP 12 49.638 34.001 39.056 90 HB2 ASP 12 HB2 ASP 12 47.613 32.877 38.072 91 HB3 ASP 12 HB1 ASP 12 47.631 34.126 36.810 92 HA PRO 13 HA PRO 13 50.764 38.254 37.512 93 HB2 PRO 13 HB1 PRO 13 53.289 38.134 38.756 94 HB3 PRO 13 HB2 PRO 13 51.806 38.830 39.453 95 HG2 PRO 13 HG1 PRO 13 52.907 36.112 39.966 96 HG3 PRO 13 HG2 PRO 13 52.282 37.329 41.136 97 HD2 PRO 13 HD1 PRO 13 50.773 35.291 40.280 98 HD3 PRO 13 HD2 PRO 13 50.043 36.908 40.507 99 H GLY 14 H GLY 14 51.686 35.047 37.120 100 HA2 GLY 14 HA2 GLY 14 52.497 34.064 35.197 101 HA3 GLY 14 HA1 GLY 14 53.174 35.614 34.680 102 H VAL 15 H VAL 15 54.925 33.932 34.191 103 HA VAL 15 HA VAL 15 56.469 32.813 36.377 104 HB VAL 15 HB VAL 15 58.098 32.168 34.688 105 HG11 VAL 15 1HG1 VAL 15 56.684 30.745 33.306 106 HG12 VAL 15 2HG1 VAL 15 56.008 30.836 34.937 107 HG13 VAL 15 3HG1 VAL 15 55.268 31.748 33.620 108 HG21 VAL 15 1HG2 VAL 15 57.828 32.684 32.314 109 HG22 VAL 15 2HG2 VAL 15 56.461 33.738 32.648 110 HG23 VAL 15 3HG2 VAL 15 58.100 34.164 33.219 111 H CYS 16 H CYS 16 56.473 35.869 34.838 112 HA CYS 16 HA CYS 16 59.161 36.666 35.793 113 HB2 CYS 16 HB2 CYS 16 57.056 37.996 34.076 114 HB3 CYS 16 HB1 CYS 16 58.412 38.911 34.743 115 H LYS 17 H LYS 17 59.370 38.660 37.003 116 HA LYS 17 HA LYS 17 57.377 38.707 39.248 117 HB2 LYS 17 HB2 LYS 17 60.383 39.269 39.314 118 HB3 LYS 17 HB1 LYS 17 59.266 39.434 40.656 119 HG2 LYS 17 HG2 LYS 17 60.321 37.374 41.023 120 HG3 LYS 17 HG1 LYS 17 58.712 36.967 40.421 121 HD2 LYS 17 HD2 LYS 17 59.679 36.463 38.193 122 HD3 LYS 17 HD1 LYS 17 61.277 36.959 38.754 123 HE2 LYS 17 HE2 LYS 17 61.365 35.064 40.252 124 HE3 LYS 17 HE1 LYS 17 59.626 34.760 40.050 125 HZ1 LYS 17 HZ1 LYS 17 60.893 33.226 38.700 126 HZ2 LYS 17 HZ2 LYS 17 59.994 34.191 37.754 127 HZ3 LYS 17 HZ3 LYS 17 61.612 34.453 37.867 128 H ALA 18 H ALA 18 59.777 40.870 37.811 129 HA ALA 18 HA ALA 18 59.922 43.142 37.849 130 HB1 ALA 18 HB1 ALA 18 58.700 44.086 36.063 131 HB2 ALA 18 HB2 ALA 18 58.891 42.374 35.649 132 HB3 ALA 18 HB3 ALA 18 57.338 42.989 36.288 133 H HIS 19 H HIS 19 57.230 44.760 37.521 134 HA HIS 19 HA HIS 19 55.879 44.374 39.949 135 HB2 HIS 19 HB2 HIS 19 57.905 45.477 40.933 136 HB3 HIS 19 HB1 HIS 19 57.552 46.906 39.980 137 HD1 HIS 19 HD1 HIS 19 54.768 47.692 40.521 138 HD2 HIS 19 HD2 HIS 19 57.160 45.735 43.372 139 HE1 HIS 19 HE1 HIS 19 53.632 48.126 42.830 140 HE2 HIS 19 HE2 HIS 19 55.155 46.972 44.557 141 H ILE 20 H ILE 20 53.995 44.458 38.624 142 HA ILE 20 HA ILE 20 53.213 47.245 37.819 143 HB ILE 20 HB ILE 20 52.297 44.666 36.536 144 HG12 ILE 20 2HG1 ILE 20 54.522 46.575 35.772 145 HG13 ILE 20 1HG1 ILE 20 54.625 44.838 36.038 146 HG21 ILE 20 1HG2 ILE 20 51.332 46.144 34.845 147 HG22 ILE 20 2HG2 ILE 20 50.703 46.594 36.423 148 HG23 ILE 20 3HG2 ILE 20 51.984 47.576 35.670 149 HD11 ILE 20 HD1 ILE 20 54.805 45.217 33.704 150 HD12 ILE 20 HD2 ILE 20 53.200 44.528 33.955 151 HD13 ILE 20 HD3 ILE 20 53.388 46.267 33.668 152 HA PRO 21 HA PRO 21 50.067 46.604 41.025 153 HB2 PRO 21 HB1 PRO 21 48.767 48.931 39.616 154 HB3 PRO 21 HB2 PRO 21 49.024 48.670 41.368 155 HG2 PRO 21 HG1 PRO 21 50.628 50.368 39.987 156 HG3 PRO 21 HG2 PRO 21 51.339 49.234 41.186 157 HD2 PRO 21 HD1 PRO 21 51.212 48.935 38.169 158 HD3 PRO 21 HD2 PRO 21 52.598 48.665 39.278 159 H ARG 22 H ARG 22 48.668 44.961 40.784 160 HA ARG 22 HA ARG 22 46.741 44.876 38.511 161 HB2 ARG 22 HB2 ARG 22 49.090 43.581 38.296 162 HB3 ARG 22 HB1 ARG 22 48.301 42.435 39.359 163 HG2 ARG 22 HG2 ARG 22 47.891 41.562 37.249 164 HG3 ARG 22 HG1 ARG 22 46.406 42.385 37.585 165 HD2 ARG 22 HD2 ARG 22 48.547 42.831 35.555 166 HD3 ARG 22 HD1 ARG 22 46.805 43.017 35.388 167 HE ARG 22 HE ARG 22 48.165 45.102 36.984 168 HH11 ARG 22 1HH1 ARG 22 46.921 44.343 33.775 169 HH12 ARG 22 2HH1 ARG 22 46.758 46.018 33.369 170 HH21 ARG 22 1HH2 ARG 22 48.049 47.135 36.355 171 HH22 ARG 22 2HH2 ARG 22 47.552 47.546 34.713 172 H PHE 23 H PHE 23 45.014 43.268 38.891 173 HA PHE 23 HA PHE 23 44.565 42.822 41.817 174 HB2 PHE 23 HB2 PHE 23 42.680 44.221 39.899 175 HB3 PHE 23 HB1 PHE 23 42.179 43.552 41.446 176 HD1 PHE 23 HD1 PHE 23 42.295 44.932 43.373 177 HD2 PHE 23 HD2 PHE 23 44.708 45.916 39.967 178 HE1 PHE 23 HE1 PHE 23 42.993 47.117 44.430 179 HE2 PHE 23 HE2 PHE 23 45.357 48.051 41.004 180 HZ PHE 23 HZ PHE 23 44.479 48.656 43.241 181 H TYR 24 H TYR 24 43.118 41.177 42.336 182 HA TYR 24 HA TYR 24 42.064 39.479 40.185 183 HB2 TYR 24 HB2 TYR 24 43.625 37.911 40.236 184 HB3 TYR 24 HB1 TYR 24 44.581 38.858 41.324 185 HD1 TYR 24 HD1 TYR 24 44.070 38.678 43.837 186 HD2 TYR 24 HD2 TYR 24 43.022 35.743 40.918 187 HE1 TYR 24 HE1 TYR 24 43.817 36.933 45.655 188 HE2 TYR 24 HE2 TYR 24 42.558 34.106 42.695 189 HH TYR 24 HH TYR 24 42.878 33.618 44.789 190 H TYR 25 H TYR 25 40.487 37.926 40.995 191 HA TYR 25 HA TYR 25 39.097 38.959 43.399 192 HB2 TYR 25 HB2 TYR 25 37.864 38.299 41.139 193 HB3 TYR 25 HB1 TYR 25 38.008 36.686 41.764 194 HD1 TYR 25 HD1 TYR 25 36.456 39.989 42.147 195 HD2 TYR 25 HD2 TYR 25 36.848 36.078 43.863 196 HE1 TYR 25 HE1 TYR 25 34.557 40.470 43.688 197 HE2 TYR 25 HE2 TYR 25 34.899 36.528 45.355 198 HH TYR 25 HH TYR 25 33.230 38.062 45.945 199 H ASN 26 H ASN 26 39.050 37.837 45.330 200 HA ASN 26 HA ASN 26 40.189 35.075 45.353 201 HB2 ASN 26 HB2 ASN 26 41.672 36.636 46.414 202 HB3 ASN 26 HB1 ASN 26 40.370 37.326 47.371 203 HD21 ASN 26 1HD2 ASN 26 41.711 34.039 46.779 204 HD22 ASN 26 2HD2 ASN 26 41.629 33.625 48.483 205 HA PRO 27 HA PRO 27 35.705 34.623 46.290 206 HB2 PRO 27 HB1 PRO 27 36.483 31.782 45.615 207 HB3 PRO 27 HB2 PRO 27 35.005 32.677 45.161 208 HG2 PRO 27 HG1 PRO 27 36.972 32.344 43.368 209 HG3 PRO 27 HG2 PRO 27 36.192 33.940 43.515 210 HD2 PRO 27 HD1 PRO 27 38.832 33.029 44.716 211 HD3 PRO 27 HD2 PRO 27 38.429 34.549 43.873 212 H ALA 28 H ALA 28 38.492 32.743 47.450 213 HA ALA 28 HA ALA 28 37.408 31.295 49.557 214 HB1 ALA 28 HB1 ALA 28 39.650 31.350 50.480 215 HB2 ALA 28 HB2 ALA 28 39.786 31.274 48.721 216 HB3 ALA 28 HB3 ALA 28 40.048 32.814 49.585 217 H SER 29 H SER 29 37.863 34.787 49.423 218 HA SER 29 HA SER 29 36.490 34.993 52.085 219 HB2 SER 29 HB2 SER 29 38.664 36.798 51.001 220 HB3 SER 29 HB1 SER 29 37.787 37.027 52.542 221 HG SER 29 HG SER 29 38.684 34.807 52.980 222 H ASN 30 H ASN 30 35.561 35.039 49.187 223 HA ASN 30 HA ASN 30 34.328 36.257 47.729 224 HB2 ASN 30 HB2 ASN 30 32.948 35.657 49.849 225 HB3 ASN 30 HB1 ASN 30 32.937 37.390 50.162 226 HD21 ASN 30 1HD2 ASN 30 32.362 38.595 47.852 227 HD22 ASN 30 2HD2 ASN 30 30.885 37.908 47.163 228 H LYS 31 H LYS 31 36.769 37.697 48.058 229 HA LYS 31 HA LYS 31 35.798 40.312 47.176 230 HB2 LYS 31 HB2 LYS 31 36.534 41.703 48.831 231 HB3 LYS 31 HB1 LYS 31 35.986 40.358 49.795 232 HG2 LYS 31 HG2 LYS 31 38.849 41.041 49.070 233 HG3 LYS 31 HG1 LYS 31 38.082 41.281 50.620 234 HD2 LYS 31 HD2 LYS 31 37.959 38.984 51.093 235 HD3 LYS 31 HD1 LYS 31 38.368 38.491 49.446 236 HE2 LYS 31 HE2 LYS 31 40.253 39.943 51.347 237 HE3 LYS 31 HE1 LYS 31 40.235 38.200 51.053 238 HZ1 LYS 31 HZ1 LYS 31 41.873 39.238 49.679 239 HZ2 LYS 31 HZ2 LYS 31 40.685 38.611 48.748 240 HZ3 LYS 31 HZ3 LYS 31 40.754 40.244 48.972 241 H CYS 32 H CYS 32 37.416 41.705 46.268 242 HA CYS 32 HA CYS 32 39.563 40.217 44.976 243 HB2 CYS 32 HB2 CYS 32 39.232 43.184 44.799 244 HB3 CYS 32 HB1 CYS 32 39.756 42.046 43.558 245 H LYS 33 H LYS 33 41.806 41.102 44.801 246 HA LYS 33 HA LYS 33 42.670 42.918 46.971 247 HB2 LYS 33 HB2 LYS 33 44.511 41.618 47.718 248 HB3 LYS 33 HB1 LYS 33 43.079 40.609 47.872 249 HG2 LYS 33 HG2 LYS 33 43.630 39.453 45.791 250 HG3 LYS 33 HG1 LYS 33 45.083 40.442 45.568 251 HD2 LYS 33 HD2 LYS 33 44.553 38.469 47.808 252 HD3 LYS 33 HD1 LYS 33 45.621 38.213 46.438 253 HE2 LYS 33 HE2 LYS 33 46.062 40.357 48.566 254 HE3 LYS 33 HE1 LYS 33 46.784 38.752 48.579 255 HZ1 LYS 33 HZ1 LYS 33 48.351 40.214 47.611 256 HZ2 LYS 33 HZ2 LYS 33 47.794 39.278 46.401 257 HZ3 LYS 33 HZ3 LYS 33 47.313 40.846 46.538 258 H GLU 34 H GLU 34 45.045 43.481 46.619 259 HA GLU 34 HA GLU 34 45.563 43.968 43.733 260 HB2 GLU 34 HB2 GLU 34 45.305 45.891 45.345 261 HB3 GLU 34 HB1 GLU 34 46.761 45.319 46.167 262 HG2 GLU 34 HG2 GLU 34 48.043 45.568 44.040 263 HG3 GLU 34 HG1 GLU 34 46.577 46.120 43.229 264 H PHE 35 H PHE 35 47.357 43.012 42.847 265 HA PHE 35 HA PHE 35 49.371 41.712 44.563 266 HB2 PHE 35 HB2 PHE 35 49.382 39.681 43.453 267 HB3 PHE 35 HB1 PHE 35 47.681 39.962 43.735 268 HD1 PHE 35 HD1 PHE 35 46.153 40.264 41.836 269 HD2 PHE 35 HD2 PHE 35 50.374 39.867 41.208 270 HE1 PHE 35 HE1 PHE 35 45.760 39.728 39.422 271 HE2 PHE 35 HE2 PHE 35 49.979 39.601 38.781 272 HZ PHE 35 HZ PHE 35 47.688 39.367 37.910 273 H ILE 36 H ILE 36 51.381 41.284 43.302 274 HA ILE 36 HA ILE 36 51.859 43.590 41.468 275 HB ILE 36 HB ILE 36 53.606 42.000 43.348 276 HG12 ILE 36 2HG1 ILE 36 54.511 44.271 43.804 277 HG13 ILE 36 1HG1 ILE 36 53.403 44.952 42.601 278 HG21 ILE 36 1HG2 ILE 36 55.594 43.152 42.131 279 HG22 ILE 36 2HG2 ILE 36 54.922 41.710 41.397 280 HG23 ILE 36 3HG2 ILE 36 54.459 43.281 40.763 281 HD11 ILE 36 HD1 ILE 36 52.698 45.279 44.980 282 HD12 ILE 36 HD2 ILE 36 51.491 44.412 44.031 283 HD13 ILE 36 HD3 ILE 36 52.551 43.510 45.147 284 H TYR 37 H TYR 37 51.736 43.199 39.402 285 HA TYR 37 HA TYR 37 52.131 40.492 38.317 286 HB2 TYR 37 HB2 TYR 37 50.181 41.673 37.711 287 HB3 TYR 37 HB1 TYR 37 51.070 43.063 37.145 288 HD1 TYR 37 HD1 TYR 37 49.811 39.727 36.371 289 HD2 TYR 37 HD2 TYR 37 52.405 42.893 35.033 290 HE1 TYR 37 HE1 TYR 37 49.911 38.686 34.110 291 HE2 TYR 37 HE2 TYR 37 52.355 41.950 32.732 292 HH TYR 37 HH TYR 37 51.593 40.232 31.390 293 H GLY 38 H GLY 38 53.561 39.907 36.758 294 HA2 GLY 38 HA2 GLY 38 56.091 41.395 36.767 295 HA3 GLY 38 HA1 GLY 38 55.820 39.747 36.183 296 H GLY 39 H GLY 39 54.635 39.559 34.138 297 HA2 GLY 39 HA2 GLY 39 54.257 41.287 32.083 298 HA3 GLY 39 HA1 GLY 39 55.997 41.371 32.237 299 H CYS 40 H CYS 40 54.691 38.208 32.951 300 HA CYS 40 HA CYS 40 55.210 37.246 30.208 301 HB2 CYS 40 HB2 CYS 40 56.774 36.159 32.544 302 HB3 CYS 40 HB1 CYS 40 56.982 35.764 30.857 303 H GLY 41 H GLY 41 53.095 36.420 30.122 304 HA2 GLY 41 HA2 GLY 41 51.830 34.363 30.295 305 HA3 GLY 41 HA1 GLY 41 52.497 34.093 31.896 306 H GLY 42 H GLY 42 50.561 33.970 33.033 307 HA2 GLY 42 HA2 GLY 42 49.174 35.504 34.402 308 HA3 GLY 42 HA1 GLY 42 48.694 36.296 32.906 309 H ASN 43 H ASN 43 46.562 35.661 33.918 310 HA ASN 43 HA ASN 43 45.595 33.172 32.685 311 HB2 ASN 43 HB2 ASN 43 44.697 32.296 34.766 312 HB3 ASN 43 HB1 ASN 43 46.416 32.600 34.988 313 HD21 ASN 43 1HD2 ASN 43 45.195 32.303 37.245 314 HD22 ASN 43 2HD2 ASN 43 44.897 33.798 38.041 315 H ALA 44 H ALA 44 43.058 33.021 33.344 316 HA ALA 44 HA ALA 44 41.818 35.484 32.414 317 HB1 ALA 44 HB1 ALA 44 39.718 34.161 32.682 318 HB2 ALA 44 HB2 ALA 44 40.951 33.311 31.737 319 HB3 ALA 44 HB3 ALA 44 40.659 32.855 33.432 320 H ASN 45 H ASN 45 42.824 34.560 35.550 321 HA ASN 45 HA ASN 45 40.688 36.039 36.942 322 HB2 ASN 45 HB2 ASN 45 41.985 33.825 37.689 323 HB3 ASN 45 HB1 ASN 45 43.129 34.989 38.345 324 HD21 ASN 45 1HD2 ASN 45 41.208 36.974 39.202 325 HD22 ASN 45 2HD2 ASN 45 40.428 36.122 40.582 326 H ASN 46 H ASN 46 43.316 36.990 35.185 327 HA ASN 46 HA ASN 46 44.377 39.014 36.903 328 HB2 ASN 46 HB2 ASN 46 45.708 39.606 35.073 329 HB3 ASN 46 HB1 ASN 46 45.529 37.864 34.971 330 HD21 ASN 46 1HD2 ASN 46 42.641 38.581 33.662 331 HD22 ASN 46 2HD2 ASN 46 43.224 38.770 32.018 332 H PHE 47 H PHE 47 43.724 41.054 37.316 333 HA PHE 47 HA PHE 47 41.829 42.393 35.458 334 HB2 PHE 47 HB2 PHE 47 41.775 42.801 38.445 335 HB3 PHE 47 HB1 PHE 47 40.588 43.312 37.273 336 HD1 PHE 47 HD1 PHE 47 40.052 40.674 35.850 337 HD2 PHE 47 HD2 PHE 47 40.487 41.727 39.989 338 HE1 PHE 47 HE1 PHE 47 38.818 38.632 36.493 339 HE2 PHE 47 HE2 PHE 47 38.891 39.961 40.590 340 HZ PHE 47 HZ PHE 47 38.148 38.289 38.858 341 H GLU 48 H GLU 48 41.844 44.788 35.915 342 HA GLU 48 HA GLU 48 44.569 45.782 36.488 343 HB2 GLU 48 HB2 GLU 48 42.156 47.093 35.203 344 HB3 GLU 48 HB1 GLU 48 43.822 47.715 35.262 345 HG2 GLU 48 HG2 GLU 48 44.514 45.499 34.131 346 HG3 GLU 48 HG1 GLU 48 42.815 45.234 33.788 347 H THR 49 H THR 49 41.310 46.242 37.763 348 HA THR 49 HA THR 49 42.397 47.612 40.137 349 HB THR 49 HB THR 49 40.804 49.490 40.014 350 HG1 THR 49 HG1 THR 49 40.568 49.102 37.288 351 HG21 THR 49 1HG2 THR 49 41.989 50.934 38.557 352 HG22 THR 49 2HG2 THR 49 43.169 49.829 39.304 353 HG23 THR 49 3HG2 THR 49 42.656 49.580 37.618 354 H ARG 50 H ARG 50 40.598 48.174 41.697 355 HA ARG 50 HA ARG 50 38.885 45.968 42.283 356 HB2 ARG 50 HB2 ARG 50 38.597 48.884 43.126 357 HB3 ARG 50 HB1 ARG 50 37.759 47.525 43.872 358 HG2 ARG 50 HG2 ARG 50 40.776 47.936 43.889 359 HG3 ARG 50 HG1 ARG 50 39.667 48.321 45.209 360 HD2 ARG 50 HD2 ARG 50 38.994 45.927 45.333 361 HD3 ARG 50 HD1 ARG 50 40.173 45.534 44.074 362 HE ARG 50 HE ARG 50 41.911 46.541 45.649 363 HH11 ARG 50 1HH1 ARG 50 39.075 45.044 47.042 364 HH12 ARG 50 2HH1 ARG 50 39.933 44.584 48.484 365 HH21 ARG 50 1HH2 ARG 50 42.859 46.146 47.590 366 HH22 ARG 50 2HH2 ARG 50 41.978 45.361 48.850 367 H ALA 51 H ALA 51 38.310 48.673 40.109 368 HA ALA 51 HA ALA 51 35.421 48.453 40.079 369 HB1 ALA 51 HB1 ALA 51 35.635 49.895 38.075 370 HB2 ALA 51 HB2 ALA 51 36.615 50.515 39.416 371 HB3 ALA 51 HB3 ALA 51 37.397 49.648 38.072 372 H GLU 52 H GLU 52 38.033 47.260 37.883 373 HA GLU 52 HA GLU 52 36.269 45.652 36.283 374 HB2 GLU 52 HB2 GLU 52 38.432 46.380 35.480 375 HB3 GLU 52 HB1 GLU 52 39.262 45.488 36.776 376 HG2 GLU 52 HG2 GLU 52 38.474 43.344 35.909 377 HG3 GLU 52 HG1 GLU 52 37.385 44.166 34.774 378 H CYS 53 H CYS 53 38.193 44.914 39.235 379 HA CYS 53 HA CYS 53 37.802 42.180 39.192 380 HB2 CYS 53 HB2 CYS 53 38.638 42.146 41.310 381 HB3 CYS 53 HB1 CYS 53 39.136 43.755 40.823 382 H ARG 54 H ARG 54 35.489 44.556 40.416 383 HA ARG 54 HA ARG 54 33.536 42.470 41.162 384 HB2 ARG 54 HB2 ARG 54 32.014 44.294 41.669 385 HB3 ARG 54 HB1 ARG 54 33.575 44.522 42.452 386 HG2 ARG 54 HG2 ARG 54 34.209 46.180 40.725 387 HG3 ARG 54 HG1 ARG 54 32.668 45.932 39.901 388 HD2 ARG 54 HD2 ARG 54 32.598 47.964 41.192 389 HD3 ARG 54 HD1 ARG 54 31.468 46.772 41.867 390 HE ARG 54 HE ARG 54 33.993 46.562 43.202 391 HH11 ARG 54 1HH1 ARG 54 31.357 48.862 42.987 392 HH12 ARG 54 2HH1 ARG 54 31.558 49.419 44.612 393 HH21 ARG 54 1HH2 ARG 54 34.115 47.244 45.355 394 HH22 ARG 54 2HH2 ARG 54 33.088 48.532 45.906 395 H HIS 55 H HIS 55 34.103 44.567 38.340 396 HA HIS 55 HA HIS 55 31.584 43.827 37.094 397 HB2 HIS 55 HB2 HIS 55 33.058 45.934 36.720 398 HB3 HIS 55 HB1 HIS 55 34.012 44.911 35.637 399 HD1 HIS 55 HD1 HIS 55 30.760 46.810 35.848 400 HD2 HIS 55 HD2 HIS 55 32.672 43.970 33.400 401 HE1 HIS 55 HE1 HIS 55 29.443 46.790 33.632 402 HE2 HIS 55 HE2 HIS 55 30.651 45.074 32.125 403 H THR 56 H THR 56 34.725 42.320 37.140 404 HA THR 56 HA THR 56 34.011 40.434 35.009 405 HB THR 56 HB THR 56 36.495 40.668 36.740 406 HG1 THR 56 HG1 THR 56 37.263 41.696 34.918 407 HG21 THR 56 1HG2 THR 56 37.489 39.327 34.810 408 HG22 THR 56 2HG2 THR 56 36.388 38.399 35.862 409 HG23 THR 56 3HG2 THR 56 35.839 38.990 34.278 410 H CYS 57 H CYS 57 34.192 40.399 38.569 411 HA CYS 57 HA CYS 57 33.402 37.543 38.479 412 HB2 CYS 57 HB2 CYS 57 35.388 38.650 39.883 413 HB3 CYS 57 HB1 CYS 57 34.100 38.832 41.055 414 H VAL 58 H VAL 58 32.488 40.386 40.485 415 HA VAL 58 HA VAL 58 29.899 39.124 41.144 416 HB VAL 58 HB VAL 58 30.963 41.761 42.206 417 HG11 VAL 58 1HG1 VAL 58 29.453 41.239 44.105 418 HG12 VAL 58 2HG1 VAL 58 28.528 41.308 42.607 419 HG13 VAL 58 3HG1 VAL 58 28.951 39.738 43.321 420 HG21 VAL 58 1HG2 VAL 58 31.728 40.516 44.186 421 HG22 VAL 58 2HG2 VAL 58 31.346 38.975 43.371 422 HG23 VAL 58 3HG2 VAL 58 32.617 40.038 42.728 423 H ALA 59 H ALA 59 29.579 39.398 38.662 424 HA ALA 59 HA ALA 59 27.663 41.582 38.347 425 HB1 ALA 59 HB1 ALA 59 28.761 42.460 36.275 426 HB2 ALA 59 HB2 ALA 59 29.754 42.711 37.730 427 HB3 ALA 59 HB3 ALA 59 30.149 41.393 36.592 428 H SER 60 H SER 60 26.220 41.265 36.614 429 HA SER 60 HA SER 60 26.006 38.554 35.551 430 HB2 SER 60 HB2 SER 60 23.837 39.460 34.658 431 HB3 SER 60 HB1 SER 60 24.032 39.538 36.417 432 HG SER 60 HG SER 60 23.235 41.494 35.511 433 H ARG 61 H ARG 61 28.238 39.179 34.478 434 HA ARG 61 HA ARG 61 27.941 40.542 31.876 435 HB2 ARG 61 HB2 ARG 61 30.074 40.719 33.088 436 HB3 ARG 61 HB1 ARG 61 30.276 38.959 33.024 437 HG2 ARG 61 HG2 ARG 61 30.408 39.027 30.573 438 HG3 ARG 61 HG1 ARG 61 30.116 40.785 30.567 439 HD2 ARG 61 HD2 ARG 61 32.227 41.131 31.778 440 HD3 ARG 61 HD1 ARG 61 32.479 39.374 31.884 441 HE ARG 61 HE ARG 61 32.168 39.896 29.160 442 HH11 ARG 61 1HH1 ARG 61 34.519 40.746 31.635 443 HH12 ARG 61 2HH1 ARG 61 35.794 40.964 30.489 444 HH21 ARG 61 1HH2 ARG 61 33.892 40.174 27.732 445 HH22 ARG 61 2HH2 ARG 61 35.450 40.621 28.353 446 H LYS 62 H LYS 62 27.952 39.614 29.905 447 HA LYS 62 HA LYS 62 27.491 36.688 29.664 448 HB2 LYS 62 HB2 LYS 62 25.715 36.971 28.116 449 HB3 LYS 62 HB1 LYS 62 25.322 37.912 29.538 450 HG2 LYS 62 HG2 LYS 62 26.417 39.065 26.924 451 HG3 LYS 62 HG1 LYS 62 24.719 38.987 27.390 452 HD2 LYS 62 HD2 LYS 62 25.235 40.420 29.395 453 HD3 LYS 62 HD1 LYS 62 26.881 40.635 28.748 454 HE2 LYS 62 HE2 LYS 62 25.999 41.580 26.681 455 HE3 LYS 62 HE1 LYS 62 24.342 41.313 27.229 456 HZ1 LYS 62 HZ1 LYS 62 24.987 43.592 27.615 457 HZ2 LYS 62 HZ2 LYS 62 24.747 42.853 29.053 458 HZ3 LYS 62 HZ3 LYS 62 26.283 43.149 28.526 459 H GLY 63 H GLY 63 27.446 36.303 27.067 460 HA2 GLY 63 HA2 GLY 63 30.130 36.792 26.055 461 HA3 GLY 63 HA1 GLY 63 28.793 36.035 25.196 462 H GLY 64 H GLY 64 28.739 37.146 23.265 463 HA2 GLY 64 HA2 GLY 64 27.492 39.412 22.667 464 HA3 GLY 64 HA1 GLY 64 29.019 40.078 23.227 465 HA PRO 65 HA PRO 65 30.130 39.524 18.859 466 HB2 PRO 65 HB1 PRO 65 32.920 39.904 19.937 467 HB3 PRO 65 HB2 PRO 65 32.131 40.695 18.542 468 HG2 PRO 65 HG1 PRO 65 32.449 42.020 20.898 469 HG3 PRO 65 HG2 PRO 65 30.915 42.170 19.971 470 HD2 PRO 65 HD1 PRO 65 31.504 40.397 22.356 471 HD3 PRO 65 HD2 PRO 65 30.086 41.444 22.041 472 H ARG 66 H ARG 66 31.107 37.908 17.571 473 HA ARG 66 HA ARG 66 32.586 35.701 18.878 474 HB2 ARG 66 HB2 ARG 66 30.191 35.116 19.100 475 HB3 ARG 66 HB1 ARG 66 29.944 35.348 17.369 476 HG2 ARG 66 HG2 ARG 66 31.536 33.495 16.882 477 HG3 ARG 66 HG1 ARG 66 31.793 33.253 18.613 478 HD2 ARG 66 HD2 ARG 66 29.150 32.980 17.134 479 HD3 ARG 66 HD1 ARG 66 30.191 31.632 17.643 480 HE ARG 66 HE ARG 66 29.789 32.912 20.002 481 HH11 ARG 66 1HH1 ARG 66 27.449 31.913 17.599 482 HH12 ARG 66 2HH1 ARG 66 26.173 31.735 18.764 483 HH21 ARG 66 1HH2 ARG 66 28.115 32.644 21.460 484 HH22 ARG 66 2HH2 ARG 66 26.557 32.138 20.899 485 H ARG 67 H ARG 67 34.177 35.090 17.599 486 HA ARG 67 HA ARG 67 35.633 34.923 15.816 487 HB2 ARG 67 HB2 ARG 67 34.012 33.265 15.087 488 HB3 ARG 67 HB1 ARG 67 33.051 34.511 14.288 489 HG2 ARG 67 HG2 ARG 67 34.883 34.948 12.688 490 HG3 ARG 67 HG1 ARG 67 35.944 33.834 13.566 491 HD2 ARG 67 HD2 ARG 67 34.995 32.808 11.538 492 HD3 ARG 67 HD1 ARG 67 34.505 31.948 13.018 493 HE ARG 67 HE ARG 67 32.608 33.987 12.164 494 HH11 ARG 67 1HH1 ARG 67 33.559 30.717 11.472 495 HH12 ARG 67 2HH1 ARG 67 31.981 30.231 10.911 496 HH21 ARG 67 1HH2 ARG 67 30.591 33.346 11.416 497 HH22 ARG 67 2HH2 ARG 67 30.330 31.709 10.882 498 HA PRO 68 HA PRO 68 35.239 39.412 14.885 499 HB2 PRO 68 HB1 PRO 68 38.162 39.268 15.518 500 HB3 PRO 68 HB2 PRO 68 36.945 40.445 16.080 501 HG2 PRO 68 HG1 PRO 68 37.924 38.507 17.736 502 HG3 PRO 68 HG2 PRO 68 36.191 38.966 17.776 503 HD2 PRO 68 HD1 PRO 68 37.472 36.641 16.325 504 HD3 PRO 68 HD2 PRO 68 36.046 36.641 17.399 Start of MODEL 6 1 H PCA 1 H PGA 1 27.506 28.420 41.952 2 HA PCA 1 HA PGA 1 29.128 30.536 42.223 3 HB2 PCA 1 HB1 PGA 1 30.594 29.286 39.911 4 HB3 PCA 1 HB2 PGA 1 31.230 30.213 41.298 5 HG2 PCA 1 HG1 PGA 1 31.267 27.408 41.056 6 HG3 PCA 1 HG2 PGA 1 31.343 28.271 42.620 7 H ASP 2 H ASP 2 27.687 31.992 41.390 8 HA ASP 2 HA ASP 2 26.503 31.742 38.723 9 HB2 ASP 2 HB2 ASP 2 25.364 32.601 40.796 10 HB3 ASP 2 HB1 ASP 2 26.417 34.023 40.736 11 H ARG 3 H ARG 3 29.517 32.525 39.495 12 HA ARG 3 HA ARG 3 29.875 34.811 37.600 13 HB2 ARG 3 HB2 ARG 3 31.719 34.443 39.965 14 HB3 ARG 3 HB1 ARG 3 31.359 35.900 39.051 15 HG2 ARG 3 HG2 ARG 3 29.527 34.609 41.102 16 HG3 ARG 3 HG1 ARG 3 30.537 36.017 41.352 17 HD2 ARG 3 HD2 ARG 3 29.286 37.287 39.634 18 HD3 ARG 3 HD1 ARG 3 28.327 35.857 39.265 19 HE ARG 3 HE ARG 3 28.184 36.553 42.070 20 HH11 ARG 3 1HH1 ARG 3 26.882 37.234 38.994 21 HH12 ARG 3 2HH1 ARG 3 25.383 36.785 39.469 22 HH21 ARG 3 1HH2 ARG 3 26.034 36.812 42.806 23 HH22 ARG 3 2HH2 ARG 3 24.828 37.283 41.635 24 HA PRO 4 HA PRO 4 32.744 32.255 35.628 25 HB2 PRO 4 HB1 PRO 4 35.212 33.421 35.396 26 HB3 PRO 4 HB2 PRO 4 33.764 33.914 34.463 27 HG2 PRO 4 HG1 PRO 4 35.007 35.219 36.848 28 HG3 PRO 4 HG2 PRO 4 34.190 35.970 35.455 29 HD2 PRO 4 HD1 PRO 4 33.073 35.528 37.964 30 HD3 PRO 4 HD2 PRO 4 32.113 35.775 36.470 31 H LYS 5 H LYS 5 33.954 30.456 35.986 32 HA LYS 5 HA LYS 5 34.838 29.873 38.657 33 HB2 LYS 5 HB2 LYS 5 35.381 27.723 37.916 34 HB3 LYS 5 HB1 LYS 5 33.913 28.188 37.063 35 HG2 LYS 5 HG2 LYS 5 35.215 28.692 35.024 36 HG3 LYS 5 HG1 LYS 5 36.732 28.307 35.856 37 HD2 LYS 5 HD2 LYS 5 34.471 26.329 35.376 38 HD3 LYS 5 HD1 LYS 5 35.948 26.477 34.396 39 HE2 LYS 5 HE2 LYS 5 37.326 25.996 36.419 40 HE3 LYS 5 HE1 LYS 5 35.860 25.787 37.370 41 HZ1 LYS 5 HZ1 LYS 5 36.694 23.661 36.612 42 HZ2 LYS 5 HZ2 LYS 5 35.236 23.939 35.912 43 HZ3 LYS 5 HZ3 LYS 5 36.622 24.118 35.041 44 H PHE 6 H PHE 6 36.625 31.239 35.964 45 HA PHE 6 HA PHE 6 39.237 30.440 36.885 46 HB2 PHE 6 HB2 PHE 6 40.077 32.252 35.465 47 HB3 PHE 6 HB1 PHE 6 38.977 31.180 34.626 48 HD1 PHE 6 HD1 PHE 6 38.980 34.480 36.509 49 HD2 PHE 6 HD2 PHE 6 37.407 32.182 33.191 50 HE1 PHE 6 HE1 PHE 6 37.681 36.430 35.767 51 HE2 PHE 6 HE2 PHE 6 36.169 34.191 32.418 52 HZ PHE 6 HZ PHE 6 36.291 36.310 33.716 53 H CYS 7 H CYS 7 36.966 32.779 38.136 54 HA CYS 7 HA CYS 7 38.713 34.422 39.618 55 HB2 CYS 7 HB2 CYS 7 35.901 33.446 40.073 56 HB3 CYS 7 HB1 CYS 7 36.748 34.480 41.190 57 H TYR 8 H TYR 8 37.942 31.001 40.082 58 HA TYR 8 HA TYR 8 38.757 30.960 42.911 59 HB2 TYR 8 HB2 TYR 8 38.002 28.779 40.939 60 HB3 TYR 8 HB1 TYR 8 38.471 28.489 42.599 61 HD1 TYR 8 HD1 TYR 8 35.944 30.467 40.605 62 HD2 TYR 8 HD2 TYR 8 36.867 28.424 44.287 63 HE1 TYR 8 HE1 TYR 8 33.631 30.865 41.406 64 HE2 TYR 8 HE2 TYR 8 34.545 28.802 45.078 65 HH TYR 8 HH TYR 8 32.518 29.717 44.591 66 H LEU 9 H LEU 9 40.480 31.192 40.051 67 HA LEU 9 HA LEU 9 42.714 29.486 40.867 68 HB2 LEU 9 HB2 LEU 9 42.428 31.547 38.661 69 HB3 LEU 9 HB1 LEU 9 43.809 30.488 38.875 70 HG LEU 9 HG LEU 9 40.987 29.413 38.412 71 HD11 LEU 9 1HD1 LEU 9 41.591 29.112 36.083 72 HD12 LEU 9 2HD1 LEU 9 41.695 30.833 36.519 73 HD13 LEU 9 3HD1 LEU 9 43.169 29.868 36.362 74 HD21 LEU 9 1HD2 LEU 9 42.228 27.374 37.725 75 HD22 LEU 9 2HD2 LEU 9 43.765 28.171 38.113 76 HD23 LEU 9 3HD2 LEU 9 42.598 27.803 39.400 77 HA PRO 10 HA PRO 10 44.169 32.773 43.673 78 HB2 PRO 10 HB1 PRO 10 46.788 31.860 43.915 79 HB3 PRO 10 HB2 PRO 10 45.386 31.312 44.884 80 HG2 PRO 10 HG1 PRO 10 46.584 30.036 42.421 81 HG3 PRO 10 HG2 PRO 10 46.061 29.240 43.933 82 HD2 PRO 10 HD1 PRO 10 44.510 29.226 41.749 83 HD3 PRO 10 HD2 PRO 10 43.763 29.480 43.357 84 H ASP 11 H ASP 11 45.988 34.445 43.665 85 HA ASP 11 HA ASP 11 46.024 35.723 41.108 86 HB2 ASP 11 HB2 ASP 11 47.586 37.274 42.120 87 HB3 ASP 11 HB1 ASP 11 46.180 37.028 43.143 88 H ASP 12 H ASP 12 47.332 35.525 39.443 89 HA ASP 12 HA ASP 12 49.840 33.921 39.719 90 HB2 ASP 12 HB2 ASP 12 47.964 32.626 38.709 91 HB3 ASP 12 HB1 ASP 12 47.891 33.809 37.393 92 HA PRO 13 HA PRO 13 50.903 38.098 37.932 93 HB2 PRO 13 HB1 PRO 13 53.268 38.279 39.440 94 HB3 PRO 13 HB2 PRO 13 51.695 38.978 39.872 95 HG2 PRO 13 HG1 PRO 13 52.880 36.382 40.816 96 HG3 PRO 13 HG2 PRO 13 52.045 37.652 41.783 97 HD2 PRO 13 HD1 PRO 13 50.770 35.409 40.987 98 HD3 PRO 13 HD2 PRO 13 49.930 36.989 40.967 99 H GLY 14 H GLY 14 52.042 34.943 37.998 100 HA2 GLY 14 HA2 GLY 14 53.221 33.813 36.371 101 HA3 GLY 14 HA1 GLY 14 53.777 35.347 35.714 102 H VAL 15 H VAL 15 55.913 34.951 35.612 103 HA VAL 15 HA VAL 15 57.389 34.302 38.169 104 HB VAL 15 HB VAL 15 58.987 33.024 36.830 105 HG11 VAL 15 1HG1 VAL 15 57.625 31.040 36.508 106 HG12 VAL 15 2HG1 VAL 15 57.081 31.893 37.956 107 HG13 VAL 15 3HG1 VAL 15 56.143 32.011 36.465 108 HG21 VAL 15 1HG2 VAL 15 58.427 32.289 34.539 109 HG22 VAL 15 2HG2 VAL 15 57.053 33.402 34.504 110 HG23 VAL 15 3HG2 VAL 15 58.714 34.025 34.616 111 H CYS 16 H CYS 16 57.257 36.404 35.424 112 HA CYS 16 HA CYS 16 59.966 37.328 35.419 113 HB2 CYS 16 HB2 CYS 16 57.331 38.376 34.474 114 HB3 CYS 16 HB1 CYS 16 58.707 39.484 34.503 115 H LYS 17 H LYS 17 60.905 39.227 36.259 116 HA LYS 17 HA LYS 17 59.791 40.079 38.902 117 HB2 LYS 17 HB2 LYS 17 62.671 39.964 37.920 118 HB3 LYS 17 HB1 LYS 17 62.139 40.659 39.441 119 HG2 LYS 17 HG2 LYS 17 62.880 38.570 40.071 120 HG3 LYS 17 HG1 LYS 17 61.122 38.388 40.029 121 HD2 LYS 17 HD2 LYS 17 61.316 37.274 37.803 122 HD3 LYS 17 HD1 LYS 17 63.063 37.496 37.824 123 HE2 LYS 17 HE2 LYS 17 61.425 35.928 39.872 124 HE3 LYS 17 HE1 LYS 17 62.176 35.207 38.454 125 HZ1 LYS 17 HZ1 LYS 17 63.602 34.985 40.392 126 HZ2 LYS 17 HZ2 LYS 17 64.340 35.951 39.278 127 HZ3 LYS 17 HZ3 LYS 17 63.640 36.621 40.618 128 H ALA 18 H ALA 18 58.403 41.537 37.719 129 HA ALA 18 HA ALA 18 59.815 44.124 37.188 130 HB1 ALA 18 HB1 ALA 18 58.404 44.660 35.374 131 HB2 ALA 18 HB2 ALA 18 58.958 42.999 35.063 132 HB3 ALA 18 HB3 ALA 18 57.328 43.303 35.712 133 H HIS 19 H HIS 19 57.023 45.334 36.858 134 HA HIS 19 HA HIS 19 55.854 45.013 39.485 135 HB2 HIS 19 HB2 HIS 19 58.064 46.436 39.715 136 HB3 HIS 19 HB1 HIS 19 57.134 47.741 39.030 137 HD1 HIS 19 HD1 HIS 19 55.068 48.609 40.644 138 HD2 HIS 19 HD2 HIS 19 57.613 45.611 42.149 139 HE1 HIS 19 HE1 HIS 19 54.607 48.476 43.203 140 HE2 HIS 19 HE2 HIS 19 56.183 46.644 44.105 141 H ILE 20 H ILE 20 53.908 44.714 38.273 142 HA ILE 20 HA ILE 20 52.754 47.290 37.259 143 HB ILE 20 HB ILE 20 52.027 44.540 36.279 144 HG12 ILE 20 2HG1 ILE 20 54.062 46.513 35.226 145 HG13 ILE 20 1HG1 ILE 20 54.270 44.803 35.594 146 HG21 ILE 20 1HG2 ILE 20 50.807 45.729 34.563 147 HG22 ILE 20 2HG2 ILE 20 50.286 46.345 36.126 148 HG23 ILE 20 3HG2 ILE 20 51.423 47.289 35.137 149 HD11 ILE 20 HD1 ILE 20 54.269 44.964 33.240 150 HD12 ILE 20 HD2 ILE 20 52.663 44.323 33.639 151 HD13 ILE 20 HD3 ILE 20 52.855 46.027 33.215 152 HA PRO 21 HA PRO 21 49.932 46.538 40.790 153 HB2 PRO 21 HB1 PRO 21 48.171 48.586 40.262 154 HB3 PRO 21 HB2 PRO 21 49.731 48.783 41.122 155 HG2 PRO 21 HG1 PRO 21 49.131 49.285 38.195 156 HG3 PRO 21 HG2 PRO 21 50.048 50.320 39.343 157 HD2 PRO 21 HD1 PRO 21 51.303 48.689 37.607 158 HD3 PRO 21 HD2 PRO 21 51.936 48.892 39.269 159 H ARG 22 H ARG 22 48.635 44.828 40.644 160 HA ARG 22 HA ARG 22 46.493 44.780 38.615 161 HB2 ARG 22 HB2 ARG 22 48.905 43.079 38.592 162 HB3 ARG 22 HB1 ARG 22 47.474 42.117 38.899 163 HG2 ARG 22 HG2 ARG 22 46.983 42.116 36.714 164 HG3 ARG 22 HG1 ARG 22 46.710 43.855 36.815 165 HD2 ARG 22 HD2 ARG 22 49.260 44.109 36.473 166 HD3 ARG 22 HD1 ARG 22 49.127 42.454 35.836 167 HE ARG 22 HE ARG 22 47.973 43.232 33.989 168 HH11 ARG 22 1HH1 ARG 22 47.889 45.921 36.353 169 HH12 ARG 22 2HH1 ARG 22 47.186 46.957 35.135 170 HH21 ARG 22 1HH2 ARG 22 46.976 44.722 32.639 171 HH22 ARG 22 2HH2 ARG 22 46.522 46.269 33.223 172 H PHE 23 H PHE 23 44.910 43.089 39.035 173 HA PHE 23 HA PHE 23 44.581 42.615 41.943 174 HB2 PHE 23 HB2 PHE 23 42.686 44.185 40.173 175 HB3 PHE 23 HB1 PHE 23 42.124 43.348 41.606 176 HD1 PHE 23 HD1 PHE 23 42.062 44.499 43.642 177 HD2 PHE 23 HD2 PHE 23 44.832 45.811 40.629 178 HE1 PHE 23 HE1 PHE 23 42.725 46.448 45.058 179 HE2 PHE 23 HE2 PHE 23 45.416 47.768 41.994 180 HZ PHE 23 HZ PHE 23 44.342 48.110 44.208 181 H TYR 24 H TYR 24 43.016 41.016 42.472 182 HA TYR 24 HA TYR 24 41.976 39.366 40.246 183 HB2 TYR 24 HB2 TYR 24 43.416 37.707 40.383 184 HB3 TYR 24 HB1 TYR 24 44.445 38.700 41.372 185 HD1 TYR 24 HD1 TYR 24 43.993 38.618 43.931 186 HD2 TYR 24 HD2 TYR 24 42.995 35.606 41.133 187 HE1 TYR 24 HE1 TYR 24 43.708 36.952 45.803 188 HE2 TYR 24 HE2 TYR 24 42.409 34.027 42.961 189 HH TYR 24 HH TYR 24 42.615 33.634 45.131 190 H TYR 25 H TYR 25 40.309 37.840 40.953 191 HA TYR 25 HA TYR 25 38.844 38.902 43.328 192 HB2 TYR 25 HB2 TYR 25 37.498 38.491 41.234 193 HB3 TYR 25 HB1 TYR 25 37.928 36.798 41.343 194 HD1 TYR 25 HD1 TYR 25 36.227 39.664 43.059 195 HD2 TYR 25 HD2 TYR 25 36.672 35.404 42.881 196 HE1 TYR 25 HE1 TYR 25 34.247 39.361 44.558 197 HE2 TYR 25 HE2 TYR 25 34.554 35.115 44.158 198 HH TYR 25 HH TYR 25 32.860 36.209 45.350 199 H ASN 26 H ASN 26 38.890 37.891 45.230 200 HA ASN 26 HA ASN 26 39.985 35.116 45.307 201 HB2 ASN 26 HB2 ASN 26 40.881 35.541 47.417 202 HB3 ASN 26 HB1 ASN 26 41.364 36.834 46.334 203 HD21 ASN 26 1HD2 ASN 26 39.579 36.061 49.155 204 HD22 ASN 26 2HD2 ASN 26 39.135 37.714 49.537 205 HA PRO 27 HA PRO 27 35.513 34.579 46.188 206 HB2 PRO 27 HB1 PRO 27 35.451 31.838 45.734 207 HB3 PRO 27 HB2 PRO 27 35.217 33.079 44.476 208 HG2 PRO 27 HG1 PRO 27 37.681 31.492 45.111 209 HG3 PRO 27 HG2 PRO 27 37.038 32.052 43.533 210 HD2 PRO 27 HD1 PRO 27 39.122 33.265 44.837 211 HD3 PRO 27 HD2 PRO 27 38.010 34.149 43.779 212 H ALA 28 H ALA 28 38.293 32.890 47.538 213 HA ALA 28 HA ALA 28 37.240 31.552 49.707 214 HB1 ALA 28 HB1 ALA 28 39.446 31.971 50.758 215 HB2 ALA 28 HB2 ALA 28 39.616 31.577 49.038 216 HB3 ALA 28 HB3 ALA 28 39.770 33.261 49.584 217 H SER 29 H SER 29 37.698 35.074 49.488 218 HA SER 29 HA SER 29 36.271 35.381 52.110 219 HB2 SER 29 HB2 SER 29 38.662 35.975 52.339 220 HB3 SER 29 HB1 SER 29 38.457 37.207 51.092 221 HG SER 29 HG SER 29 36.846 37.285 53.356 222 H ASN 30 H ASN 30 35.559 35.280 49.115 223 HA ASN 30 HA ASN 30 34.378 36.403 47.540 224 HB2 ASN 30 HB2 ASN 30 32.863 35.552 49.375 225 HB3 ASN 30 HB1 ASN 30 32.766 37.204 49.990 226 HD21 ASN 30 1HD2 ASN 30 31.789 38.802 48.528 227 HD22 ASN 30 2HD2 ASN 30 30.597 38.213 47.349 228 H LYS 31 H LYS 31 36.557 37.925 47.769 229 HA LYS 31 HA LYS 31 35.566 40.656 47.383 230 HB2 LYS 31 HB2 LYS 31 36.898 41.757 49.023 231 HB3 LYS 31 HB1 LYS 31 36.037 40.473 49.842 232 HG2 LYS 31 HG2 LYS 31 38.107 39.043 49.610 233 HG3 LYS 31 HG1 LYS 31 38.974 40.492 49.048 234 HD2 LYS 31 HD2 LYS 31 38.341 41.610 51.220 235 HD3 LYS 31 HD1 LYS 31 37.626 40.071 51.735 236 HE2 LYS 31 HE2 LYS 31 39.924 39.019 51.227 237 HE3 LYS 31 HE1 LYS 31 40.545 40.664 51.069 238 HZ1 LYS 31 HZ1 LYS 31 40.835 39.804 53.350 239 HZ2 LYS 31 HZ2 LYS 31 39.759 41.042 53.385 240 HZ3 LYS 31 HZ3 LYS 31 39.228 39.497 53.462 241 H CYS 32 H CYS 32 37.961 41.984 47.288 242 HA CYS 32 HA CYS 32 39.287 40.751 44.914 243 HB2 CYS 32 HB2 CYS 32 39.004 43.683 45.622 244 HB3 CYS 32 HB1 CYS 32 39.765 43.022 44.172 245 H LYS 33 H LYS 33 41.515 41.104 44.707 246 HA LYS 33 HA LYS 33 43.063 41.983 47.124 247 HB2 LYS 33 HB2 LYS 33 42.988 39.449 45.555 248 HB3 LYS 33 HB1 LYS 33 44.598 39.998 45.998 249 HG2 LYS 33 HG2 LYS 33 42.333 39.742 48.023 250 HG3 LYS 33 HG1 LYS 33 43.325 38.364 47.531 251 HD2 LYS 33 HD2 LYS 33 45.382 39.704 48.212 252 HD3 LYS 33 HD1 LYS 33 44.301 40.954 48.836 253 HE2 LYS 33 HE2 LYS 33 44.953 39.530 50.672 254 HE3 LYS 33 HE1 LYS 33 43.239 39.241 50.333 255 HZ1 LYS 33 HZ1 LYS 33 44.513 37.142 50.617 256 HZ2 LYS 33 HZ2 LYS 33 43.945 37.243 49.070 257 HZ3 LYS 33 HZ3 LYS 33 45.499 37.549 49.388 258 H GLU 34 H GLU 34 45.168 42.701 46.698 259 HA GLU 34 HA GLU 34 45.627 43.901 44.006 260 HB2 GLU 34 HB2 GLU 34 45.120 45.483 45.860 261 HB3 GLU 34 HB1 GLU 34 46.471 44.829 46.786 262 HG2 GLU 34 HG2 GLU 34 48.038 45.551 44.984 263 HG3 GLU 34 HG1 GLU 34 46.687 46.206 44.068 264 H PHE 35 H PHE 35 47.259 42.889 42.972 265 HA PHE 35 HA PHE 35 49.499 41.749 44.526 266 HB2 PHE 35 HB2 PHE 35 49.535 39.716 43.428 267 HB3 PHE 35 HB1 PHE 35 47.848 39.923 43.808 268 HD1 PHE 35 HD1 PHE 35 46.203 39.975 41.992 269 HD2 PHE 35 HD2 PHE 35 50.400 40.099 41.137 270 HE1 PHE 35 HE1 PHE 35 45.731 39.469 39.588 271 HE2 PHE 35 HE2 PHE 35 49.916 39.693 38.741 272 HZ PHE 35 HZ PHE 35 47.597 39.308 37.967 273 H ILE 36 H ILE 36 51.502 41.637 43.276 274 HA ILE 36 HA ILE 36 51.555 43.734 41.133 275 HB ILE 36 HB ILE 36 53.640 42.771 43.102 276 HG12 ILE 36 2HG1 ILE 36 52.230 44.677 43.750 277 HG13 ILE 36 1HG1 ILE 36 53.906 45.134 43.556 278 HG21 ILE 36 1HG2 ILE 36 55.304 44.175 41.808 279 HG22 ILE 36 2HG2 ILE 36 54.869 42.643 41.055 280 HG23 ILE 36 3HG2 ILE 36 54.146 44.142 40.447 281 HD11 ILE 36 HD1 ILE 36 52.492 46.888 42.656 282 HD12 ILE 36 HD2 ILE 36 53.333 46.130 41.299 283 HD13 ILE 36 HD3 ILE 36 51.635 45.746 41.632 284 H TYR 37 H TYR 37 51.639 43.165 39.185 285 HA TYR 37 HA TYR 37 52.400 40.427 38.378 286 HB2 TYR 37 HB2 TYR 37 50.376 41.384 37.500 287 HB3 TYR 37 HB1 TYR 37 51.203 42.793 36.948 288 HD1 TYR 37 HD1 TYR 37 50.363 39.306 36.202 289 HD2 TYR 37 HD2 TYR 37 52.782 42.672 35.014 290 HE1 TYR 37 HE1 TYR 37 50.776 38.255 34.007 291 HE2 TYR 37 HE2 TYR 37 53.104 41.649 32.777 292 HH TYR 37 HH TYR 37 52.729 39.797 31.442 293 H GLY 38 H GLY 38 53.989 39.887 36.983 294 HA2 GLY 38 HA2 GLY 38 56.358 41.655 36.898 295 HA3 GLY 38 HA1 GLY 38 56.273 39.954 36.452 296 H GLY 39 H GLY 39 55.708 39.375 34.428 297 HA2 GLY 39 HA2 GLY 39 55.134 41.223 32.254 298 HA3 GLY 39 HA1 GLY 39 56.839 40.816 32.348 299 H CYS 40 H CYS 40 55.714 38.015 33.456 300 HA CYS 40 HA CYS 40 54.801 36.811 30.972 301 HB2 CYS 40 HB2 CYS 40 56.651 35.222 30.902 302 HB3 CYS 40 HB1 CYS 40 57.184 36.863 30.583 303 H GLY 41 H GLY 41 53.415 35.284 31.461 304 HA2 GLY 41 HA2 GLY 41 52.550 33.356 32.584 305 HA3 GLY 41 HA1 GLY 41 53.442 33.788 34.043 306 H GLY 42 H GLY 42 50.453 33.385 33.304 307 HA2 GLY 42 HA2 GLY 42 49.236 35.077 35.059 308 HA3 GLY 42 HA1 GLY 42 49.099 35.924 33.510 309 H ASN 43 H ASN 43 46.886 35.115 34.927 310 HA ASN 43 HA ASN 43 45.748 32.955 33.221 311 HB2 ASN 43 HB2 ASN 43 44.542 32.110 35.148 312 HB3 ASN 43 HB1 ASN 43 46.258 32.190 35.542 313 HD21 ASN 43 1HD2 ASN 43 44.862 31.957 37.684 314 HD22 ASN 43 2HD2 ASN 43 44.695 33.462 38.522 315 H ALA 44 H ALA 44 43.236 33.027 33.356 316 HA ALA 44 HA ALA 44 42.302 35.557 32.406 317 HB1 ALA 44 HB1 ALA 44 40.076 34.450 32.458 318 HB2 ALA 44 HB2 ALA 44 41.325 33.420 31.721 319 HB3 ALA 44 HB3 ALA 44 40.784 33.108 33.383 320 H ASN 45 H ASN 45 43.063 34.912 35.597 321 HA ASN 45 HA ASN 45 40.921 36.600 36.753 322 HB2 ASN 45 HB2 ASN 45 41.702 34.269 37.698 323 HB3 ASN 45 HB1 ASN 45 43.065 35.179 38.332 324 HD21 ASN 45 1HD2 ASN 45 41.575 33.897 40.125 325 HD22 ASN 45 2HD2 ASN 45 40.554 35.013 40.993 326 H ASN 46 H ASN 46 43.538 37.288 35.062 327 HA ASN 46 HA ASN 46 44.839 39.181 36.825 328 HB2 ASN 46 HB2 ASN 46 46.279 39.581 35.029 329 HB3 ASN 46 HB1 ASN 46 45.941 37.856 35.012 330 HD21 ASN 46 1HD2 ASN 46 43.215 38.553 33.552 331 HD22 ASN 46 2HD2 ASN 46 43.826 38.787 31.933 332 H PHE 47 H PHE 47 43.204 40.597 37.601 333 HA PHE 47 HA PHE 47 41.919 42.390 35.602 334 HB2 PHE 47 HB2 PHE 47 41.729 42.670 38.585 335 HB3 PHE 47 HB1 PHE 47 40.603 43.221 37.373 336 HD1 PHE 47 HD1 PHE 47 40.360 40.525 35.806 337 HD2 PHE 47 HD2 PHE 47 40.311 41.561 39.976 338 HE1 PHE 47 HE1 PHE 47 38.961 38.537 36.285 339 HE2 PHE 47 HE2 PHE 47 38.729 39.770 40.398 340 HZ PHE 47 HZ PHE 47 38.095 38.144 38.586 341 H GLU 48 H GLU 48 41.984 44.734 36.184 342 HA GLU 48 HA GLU 48 44.717 45.632 36.871 343 HB2 GLU 48 HB2 GLU 48 42.319 47.078 35.679 344 HB3 GLU 48 HB1 GLU 48 43.991 47.671 35.772 345 HG2 GLU 48 HG2 GLU 48 44.689 45.582 34.491 346 HG3 GLU 48 HG1 GLU 48 42.996 45.255 34.172 347 H THR 49 H THR 49 41.430 46.157 38.090 348 HA THR 49 HA THR 49 42.494 47.253 40.608 349 HB THR 49 HB THR 49 41.009 49.205 40.614 350 HG1 THR 49 HG1 THR 49 40.896 49.056 37.846 351 HG21 THR 49 1HG2 THR 49 42.361 50.726 39.375 352 HG22 THR 49 2HG2 THR 49 43.421 49.483 40.060 353 HG23 THR 49 3HG2 THR 49 42.997 49.432 38.337 354 H ARG 50 H ARG 50 40.735 47.644 42.205 355 HA ARG 50 HA ARG 50 38.879 45.526 42.472 356 HB2 ARG 50 HB2 ARG 50 38.584 48.347 43.611 357 HB3 ARG 50 HB1 ARG 50 37.737 46.898 44.163 358 HG2 ARG 50 HG2 ARG 50 40.045 45.876 44.665 359 HG3 ARG 50 HG1 ARG 50 40.718 47.488 44.318 360 HD2 ARG 50 HD2 ARG 50 40.480 47.264 46.681 361 HD3 ARG 50 HD1 ARG 50 39.300 48.458 46.116 362 HE ARG 50 HE ARG 50 37.849 46.129 46.101 363 HH11 ARG 50 1HH1 ARG 50 39.799 47.595 48.599 364 HH12 ARG 50 2HH1 ARG 50 38.846 46.960 49.904 365 HH21 ARG 50 1HH2 ARG 50 36.665 45.270 47.808 366 HH22 ARG 50 2HH2 ARG 50 37.095 45.689 49.454 367 H ALA 51 H ALA 51 38.520 48.422 40.518 368 HA ALA 51 HA ALA 51 35.631 48.413 40.332 369 HB1 ALA 51 HB1 ALA 51 36.039 49.949 38.444 370 HB2 ALA 51 HB2 ALA 51 37.011 50.410 39.853 371 HB3 ALA 51 HB3 ALA 51 37.773 49.571 38.497 372 H GLU 52 H GLU 52 38.256 47.199 38.150 373 HA GLU 52 HA GLU 52 36.479 45.800 36.373 374 HB2 GLU 52 HB2 GLU 52 38.697 46.413 35.690 375 HB3 GLU 52 HB1 GLU 52 39.428 45.449 36.987 376 HG2 GLU 52 HG2 GLU 52 38.542 43.378 36.021 377 HG3 GLU 52 HG1 GLU 52 37.561 44.302 34.863 378 H CYS 53 H CYS 53 38.408 44.652 39.204 379 HA CYS 53 HA CYS 53 37.661 42.004 39.292 380 HB2 CYS 53 HB2 CYS 53 39.163 43.117 40.923 381 HB3 CYS 53 HB1 CYS 53 37.796 44.033 41.532 382 H ARG 54 H ARG 54 35.550 44.705 40.088 383 HA ARG 54 HA ARG 54 33.323 42.996 40.963 384 HB2 ARG 54 HB2 ARG 54 33.533 45.944 40.254 385 HB3 ARG 54 HB1 ARG 54 32.009 45.163 40.647 386 HG2 ARG 54 HG2 ARG 54 32.776 44.589 42.876 387 HG3 ARG 54 HG1 ARG 54 34.423 45.152 42.519 388 HD2 ARG 54 HD2 ARG 54 33.617 47.426 42.215 389 HD3 ARG 54 HD1 ARG 54 31.932 46.889 42.401 390 HE ARG 54 HE ARG 54 33.172 46.053 44.730 391 HH11 ARG 54 1HH1 ARG 54 32.776 49.187 43.191 392 HH12 ARG 54 2HH1 ARG 54 32.772 50.058 44.673 393 HH21 ARG 54 1HH2 ARG 54 33.080 47.232 46.655 394 HH22 ARG 54 2HH2 ARG 54 32.939 48.960 46.598 395 H HIS 55 H HIS 55 34.068 44.762 37.933 396 HA HIS 55 HA HIS 55 31.590 43.865 36.649 397 HB2 HIS 55 HB2 HIS 55 34.122 45.206 35.643 398 HB3 HIS 55 HB1 HIS 55 32.838 44.678 34.573 399 HD1 HIS 55 HD1 HIS 55 31.329 46.627 33.979 400 HD2 HIS 55 HD2 HIS 55 32.972 46.897 37.829 401 HE1 HIS 55 HE1 HIS 55 30.512 48.868 34.945 402 HE2 HIS 55 HE2 HIS 55 31.579 49.049 37.282 403 H THR 56 H THR 56 34.786 42.450 36.917 404 HA THR 56 HA THR 56 34.129 40.332 35.024 405 HB THR 56 HB THR 56 36.680 40.736 36.619 406 HG1 THR 56 HG1 THR 56 37.263 41.893 34.650 407 HG21 THR 56 1HG2 THR 56 37.700 39.775 34.528 408 HG22 THR 56 2HG2 THR 56 36.658 38.619 35.342 409 HG23 THR 56 3HG2 THR 56 36.070 39.472 33.899 410 H CYS 57 H CYS 57 33.605 40.665 38.383 411 HA CYS 57 HA CYS 57 33.000 37.799 38.477 412 HB2 CYS 57 HB2 CYS 57 35.508 38.314 39.169 413 HB3 CYS 57 HB1 CYS 57 34.789 38.707 40.715 414 H VAL 58 H VAL 58 32.935 40.887 40.303 415 HA VAL 58 HA VAL 58 30.416 39.932 41.600 416 HB VAL 58 HB VAL 58 32.077 39.546 43.204 417 HG11 VAL 58 1HG1 VAL 58 33.445 41.315 44.250 418 HG12 VAL 58 2HG1 VAL 58 33.904 41.015 42.560 419 HG13 VAL 58 3HG1 VAL 58 32.952 42.443 43.012 420 HG21 VAL 58 1HG2 VAL 58 31.205 40.734 45.082 421 HG22 VAL 58 2HG2 VAL 58 30.607 42.066 44.069 422 HG23 VAL 58 3HG2 VAL 58 29.879 40.444 43.946 423 H ALA 59 H ALA 59 29.366 41.094 39.906 424 HA ALA 59 HA ALA 59 29.114 43.996 40.574 425 HB1 ALA 59 HB1 ALA 59 28.540 44.339 38.152 426 HB2 ALA 59 HB2 ALA 59 30.213 43.886 38.476 427 HB3 ALA 59 HB3 ALA 59 29.084 42.669 37.851 428 H SER 60 H SER 60 27.230 44.724 41.093 429 HA SER 60 HA SER 60 24.755 43.217 40.341 430 HB2 SER 60 HB2 SER 60 25.395 43.145 42.749 431 HB3 SER 60 HB1 SER 60 25.122 44.904 42.830 432 HG SER 60 HG SER 60 23.265 43.461 43.353 433 H ARG 61 H ARG 61 26.362 45.816 39.282 434 HA ARG 61 HA ARG 61 23.876 47.405 38.756 435 HB2 ARG 61 HB2 ARG 61 26.627 48.474 39.499 436 HB3 ARG 61 HB1 ARG 61 25.289 49.456 38.927 437 HG2 ARG 61 HG2 ARG 61 25.327 47.820 41.502 438 HG3 ARG 61 HG1 ARG 61 25.556 49.551 41.388 439 HD2 ARG 61 HD2 ARG 61 23.001 48.054 40.666 440 HD3 ARG 61 HD1 ARG 61 23.307 48.968 42.150 441 HE ARG 61 HE ARG 61 23.756 50.667 39.878 442 HH11 ARG 61 1HH1 ARG 61 21.097 49.262 41.684 443 HH12 ARG 61 2HH1 ARG 61 19.985 50.509 41.228 444 HH21 ARG 61 1HH2 ARG 61 22.252 52.206 39.233 445 HH22 ARG 61 2HH2 ARG 61 20.637 52.118 39.840 446 H LYS 62 H LYS 62 23.469 46.998 36.741 447 HA LYS 62 HA LYS 62 25.551 47.520 34.668 448 HB2 LYS 62 HB2 LYS 62 24.715 45.741 33.307 449 HB3 LYS 62 HB1 LYS 62 25.289 45.120 34.825 450 HG2 LYS 62 HG2 LYS 62 22.326 45.694 34.357 451 HG3 LYS 62 HG1 LYS 62 23.070 44.220 33.774 452 HD2 LYS 62 HD2 LYS 62 22.944 45.010 36.717 453 HD3 LYS 62 HD1 LYS 62 21.885 43.879 35.880 454 HE2 LYS 62 HE2 LYS 62 23.868 42.491 35.267 455 HE3 LYS 62 HE1 LYS 62 24.907 43.563 36.204 456 HZ1 LYS 62 HZ1 LYS 62 24.279 41.652 37.518 457 HZ2 LYS 62 HZ2 LYS 62 23.527 42.947 38.185 458 HZ3 LYS 62 HZ3 LYS 62 22.688 41.887 37.249 459 H GLY 63 H GLY 63 23.061 49.005 35.865 460 HA2 GLY 63 HA2 GLY 63 21.825 49.765 33.238 461 HA3 GLY 63 HA1 GLY 63 21.078 49.979 34.817 462 H GLY 64 H GLY 64 24.345 50.894 35.038 463 HA2 GLY 64 HA2 GLY 64 24.983 53.266 34.214 464 HA3 GLY 64 HA1 GLY 64 23.509 53.774 35.001 465 HA PRO 65 HA PRO 65 26.741 52.816 38.491 466 HB2 PRO 65 HB1 PRO 65 29.297 53.585 37.868 467 HB3 PRO 65 HB2 PRO 65 28.690 51.912 37.647 468 HG2 PRO 65 HG1 PRO 65 28.921 54.123 35.573 469 HG3 PRO 65 HG2 PRO 65 29.413 52.405 35.422 470 HD2 PRO 65 HD1 PRO 65 27.060 53.346 34.451 471 HD3 PRO 65 HD2 PRO 65 27.185 51.692 35.137 472 H ARG 66 H ARG 66 25.841 54.468 39.579 473 HA ARG 66 HA ARG 66 26.242 57.297 38.774 474 HB2 ARG 66 HB2 ARG 66 24.738 56.016 41.107 475 HB3 ARG 66 HB1 ARG 66 24.819 57.751 40.782 476 HG2 ARG 66 HG2 ARG 66 23.713 57.402 38.579 477 HG3 ARG 66 HG1 ARG 66 23.591 55.667 38.913 478 HD2 ARG 66 HD2 ARG 66 21.473 56.771 39.422 479 HD3 ARG 66 HD1 ARG 66 22.208 56.131 40.912 480 HE ARG 66 HE ARG 66 22.967 58.883 40.492 481 HH11 ARG 66 1HH1 ARG 66 20.091 57.116 41.413 482 HH12 ARG 66 2HH1 ARG 66 19.516 58.410 42.411 483 HH21 ARG 66 1HH2 ARG 66 22.135 60.519 41.761 484 HH22 ARG 66 2HH2 ARG 66 20.631 60.288 42.582 485 H ARG 67 H ARG 67 27.721 55.110 40.973 486 HA ARG 67 HA ARG 67 28.950 57.319 42.539 487 HB2 ARG 67 HB2 ARG 67 28.731 54.349 43.218 488 HB3 ARG 67 HB1 ARG 67 29.628 55.550 44.162 489 HG2 ARG 67 HG2 ARG 67 27.508 56.813 44.567 490 HG3 ARG 67 HG1 ARG 67 26.611 55.534 43.715 491 HD2 ARG 67 HD2 ARG 67 27.488 53.858 45.338 492 HD3 ARG 67 HD1 ARG 67 28.334 55.166 46.198 493 HE ARG 67 HE ARG 67 25.577 55.839 46.020 494 HH11 ARG 67 1HH1 ARG 67 27.717 53.762 47.832 495 HH12 ARG 67 2HH1 ARG 67 26.627 53.636 49.175 496 HH21 ARG 67 1HH2 ARG 67 24.223 55.669 47.811 497 HH22 ARG 67 2HH2 ARG 67 24.704 54.683 49.156 498 HA PRO 68 HA PRO 68 32.779 56.462 40.440 499 HB2 PRO 68 HB1 PRO 68 34.124 56.624 43.130 500 HB3 PRO 68 HB2 PRO 68 34.496 57.508 41.624 501 HG2 PRO 68 HG1 PRO 68 33.212 58.735 43.688 502 HG3 PRO 68 HG2 PRO 68 32.703 59.034 41.987 503 HD2 PRO 68 HD1 PRO 68 31.469 57.150 44.005 504 HD3 PRO 68 HD2 PRO 68 30.684 58.338 42.913 Start of MODEL 7 1 H PCA 1 H PGA 1 28.559 30.700 44.490 2 HA PCA 1 HA PGA 1 28.288 33.061 43.664 3 HB2 PCA 1 HB1 PGA 1 30.755 33.740 42.545 4 HB3 PCA 1 HB2 PGA 1 30.362 33.929 44.286 5 HG2 PCA 1 HG1 PGA 1 31.879 31.725 42.894 6 HG3 PCA 1 HG2 PGA 1 32.219 32.491 44.487 7 H ASP 2 H ASP 2 27.010 32.914 41.852 8 HA ASP 2 HA ASP 2 27.495 31.342 39.591 9 HB2 ASP 2 HB2 ASP 2 25.709 33.784 39.772 10 HB3 ASP 2 HB1 ASP 2 25.518 32.394 38.704 11 H ARG 3 H ARG 3 29.851 32.640 39.768 12 HA ARG 3 HA ARG 3 29.957 34.705 37.592 13 HB2 ARG 3 HB2 ARG 3 31.940 34.624 39.882 14 HB3 ARG 3 HB1 ARG 3 31.520 35.981 38.814 15 HG2 ARG 3 HG2 ARG 3 29.813 34.939 41.061 16 HG3 ARG 3 HG1 ARG 3 30.757 36.420 41.055 17 HD2 ARG 3 HD2 ARG 3 29.327 37.310 39.236 18 HD3 ARG 3 HD1 ARG 3 28.463 35.790 39.152 19 HE ARG 3 HE ARG 3 28.347 36.749 41.826 20 HH11 ARG 3 1HH1 ARG 3 26.985 37.200 38.690 21 HH12 ARG 3 2HH1 ARG 3 25.598 38.089 39.251 22 HH21 ARG 3 1HH2 ARG 3 26.344 37.422 42.582 23 HH22 ARG 3 2HH2 ARG 3 25.103 37.840 41.465 24 HA PRO 4 HA PRO 4 32.764 32.121 35.576 25 HB2 PRO 4 HB1 PRO 4 35.220 33.245 35.175 26 HB3 PRO 4 HB2 PRO 4 33.739 33.772 34.329 27 HG2 PRO 4 HG1 PRO 4 35.128 35.035 36.662 28 HG3 PRO 4 HG2 PRO 4 34.312 35.826 35.290 29 HD2 PRO 4 HD1 PRO 4 33.230 35.473 37.799 30 HD3 PRO 4 HD2 PRO 4 32.239 35.671 36.323 31 H LYS 5 H LYS 5 34.016 30.307 35.933 32 HA LYS 5 HA LYS 5 34.947 29.777 38.582 33 HB2 LYS 5 HB2 LYS 5 35.477 27.617 37.855 34 HB3 LYS 5 HB1 LYS 5 34.106 28.115 36.879 35 HG2 LYS 5 HG2 LYS 5 35.398 27.157 35.259 36 HG3 LYS 5 HG1 LYS 5 35.969 28.812 35.104 37 HD2 LYS 5 HD2 LYS 5 37.983 28.205 36.517 38 HD3 LYS 5 HD1 LYS 5 37.322 26.569 36.693 39 HE2 LYS 5 HE2 LYS 5 37.472 26.233 34.255 40 HE3 LYS 5 HE1 LYS 5 38.063 27.888 34.049 41 HZ1 LYS 5 HZ1 LYS 5 39.881 26.268 34.092 42 HZ2 LYS 5 HZ2 LYS 5 40.017 27.279 35.373 43 HZ3 LYS 5 HZ3 LYS 5 39.455 25.754 35.578 44 H PHE 6 H PHE 6 36.706 31.247 35.922 45 HA PHE 6 HA PHE 6 39.350 30.553 36.912 46 HB2 PHE 6 HB2 PHE 6 40.172 32.342 35.485 47 HB3 PHE 6 HB1 PHE 6 39.119 31.234 34.629 48 HD1 PHE 6 HD1 PHE 6 38.973 34.537 36.505 49 HD2 PHE 6 HD2 PHE 6 37.580 32.206 33.140 50 HE1 PHE 6 HE1 PHE 6 37.658 36.436 35.728 51 HE2 PHE 6 HE2 PHE 6 36.314 34.176 32.322 52 HZ PHE 6 HZ PHE 6 36.338 36.286 33.626 53 H CYS 7 H CYS 7 36.921 32.785 38.039 54 HA CYS 7 HA CYS 7 38.510 34.514 39.577 55 HB2 CYS 7 HB2 CYS 7 35.724 33.456 39.890 56 HB3 CYS 7 HB1 CYS 7 36.439 34.433 41.089 57 H TYR 8 H TYR 8 38.080 31.082 39.986 58 HA TYR 8 HA TYR 8 38.876 31.112 42.821 59 HB2 TYR 8 HB2 TYR 8 38.340 28.861 40.841 60 HB3 TYR 8 HB1 TYR 8 38.811 28.629 42.510 61 HD1 TYR 8 HD1 TYR 8 36.140 30.495 40.550 62 HD2 TYR 8 HD2 TYR 8 37.155 28.192 44.052 63 HE1 TYR 8 HE1 TYR 8 33.754 30.464 41.224 64 HE2 TYR 8 HE2 TYR 8 34.748 28.170 44.716 65 HH TYR 8 HH TYR 8 32.577 28.902 44.162 66 H LEU 9 H LEU 9 40.528 31.228 39.841 67 HA LEU 9 HA LEU 9 42.821 29.620 40.641 68 HB2 LEU 9 HB2 LEU 9 42.465 31.730 38.477 69 HB3 LEU 9 HB1 LEU 9 43.898 30.737 38.677 70 HG LEU 9 HG LEU 9 41.138 29.533 38.181 71 HD11 LEU 9 1HD1 LEU 9 41.788 29.302 35.839 72 HD12 LEU 9 2HD1 LEU 9 41.821 31.016 36.316 73 HD13 LEU 9 3HD1 LEU 9 43.330 30.122 36.164 74 HD21 LEU 9 1HD2 LEU 9 42.476 27.562 37.458 75 HD22 LEU 9 2HD2 LEU 9 43.969 28.422 37.894 76 HD23 LEU 9 3HD2 LEU 9 42.801 27.968 39.143 77 HA PRO 10 HA PRO 10 44.221 32.847 43.539 78 HB2 PRO 10 HB1 PRO 10 46.842 31.968 43.782 79 HB3 PRO 10 HB2 PRO 10 45.434 31.359 44.714 80 HG2 PRO 10 HG1 PRO 10 46.673 30.194 42.216 81 HG3 PRO 10 HG2 PRO 10 46.161 29.339 43.705 82 HD2 PRO 10 HD1 PRO 10 44.628 29.366 41.513 83 HD3 PRO 10 HD2 PRO 10 43.855 29.549 43.126 84 H ASP 11 H ASP 11 46.002 34.567 43.547 85 HA ASP 11 HA ASP 11 46.034 35.868 41.007 86 HB2 ASP 11 HB2 ASP 11 47.673 37.374 42.057 87 HB3 ASP 11 HB1 ASP 11 46.210 37.185 43.006 88 H ASP 12 H ASP 12 47.278 35.589 39.302 89 HA ASP 12 HA ASP 12 49.767 33.949 39.561 90 HB2 ASP 12 HB2 ASP 12 47.816 32.700 38.611 91 HB3 ASP 12 HB1 ASP 12 47.816 33.850 37.262 92 HA PRO 13 HA PRO 13 50.892 38.048 37.684 93 HB2 PRO 13 HB1 PRO 13 53.318 38.175 39.090 94 HB3 PRO 13 HB2 PRO 13 51.774 38.872 39.613 95 HG2 PRO 13 HG1 PRO 13 52.957 36.261 40.456 96 HG3 PRO 13 HG2 PRO 13 52.219 37.541 41.481 97 HD2 PRO 13 HD1 PRO 13 50.818 35.369 40.745 98 HD3 PRO 13 HD2 PRO 13 50.031 36.971 40.767 99 H GLY 14 H GLY 14 52.017 34.860 37.732 100 HA2 GLY 14 HA2 GLY 14 53.060 33.748 35.954 101 HA3 GLY 14 HA1 GLY 14 53.710 35.271 35.369 102 H VAL 15 H VAL 15 55.788 34.473 35.204 103 HA VAL 15 HA VAL 15 57.172 33.617 37.733 104 HB VAL 15 HB VAL 15 58.786 32.484 36.303 105 HG11 VAL 15 1HG1 VAL 15 57.352 30.663 35.564 106 HG12 VAL 15 2HG1 VAL 15 56.744 31.308 37.103 107 HG13 VAL 15 3HG1 VAL 15 55.921 31.717 35.584 108 HG21 VAL 15 1HG2 VAL 15 58.437 32.173 33.917 109 HG22 VAL 15 2HG2 VAL 15 57.035 33.247 33.927 110 HG23 VAL 15 3HG2 VAL 15 58.670 33.888 34.253 111 H CYS 16 H CYS 16 57.301 36.081 35.274 112 HA CYS 16 HA CYS 16 60.066 36.835 35.793 113 HB2 CYS 16 HB2 CYS 16 57.824 37.998 34.167 114 HB3 CYS 16 HB1 CYS 16 59.225 38.997 34.542 115 H LYS 17 H LYS 17 60.863 38.582 36.906 116 HA LYS 17 HA LYS 17 59.144 39.550 39.148 117 HB2 LYS 17 HB2 LYS 17 62.176 39.282 38.934 118 HB3 LYS 17 HB1 LYS 17 61.305 40.042 40.263 119 HG2 LYS 17 HG2 LYS 17 61.693 37.943 41.096 120 HG3 LYS 17 HG1 LYS 17 60.031 37.810 40.526 121 HD2 LYS 17 HD2 LYS 17 60.912 36.684 38.440 122 HD3 LYS 17 HD1 LYS 17 62.534 36.787 39.091 123 HE2 LYS 17 HE2 LYS 17 60.167 35.350 40.374 124 HE3 LYS 17 HE1 LYS 17 61.380 34.566 39.353 125 HZ1 LYS 17 HZ1 LYS 17 61.926 34.309 41.692 126 HZ2 LYS 17 HZ2 LYS 17 63.082 35.217 40.969 127 HZ3 LYS 17 HZ3 LYS 17 61.949 35.931 41.930 128 H ALA 18 H ALA 18 58.130 41.201 38.061 129 HA ALA 18 HA ALA 18 59.851 43.597 37.594 130 HB1 ALA 18 HB1 ALA 18 58.633 44.259 35.686 131 HB2 ALA 18 HB2 ALA 18 59.020 42.551 35.416 132 HB3 ALA 18 HB3 ALA 18 57.388 43.037 35.941 133 H HIS 19 H HIS 19 57.162 45.033 37.048 134 HA HIS 19 HA HIS 19 55.858 44.888 39.636 135 HB2 HIS 19 HB2 HIS 19 58.085 46.215 39.934 136 HB3 HIS 19 HB1 HIS 19 57.276 47.520 39.089 137 HD1 HIS 19 HD1 HIS 19 57.809 46.190 42.436 138 HD2 HIS 19 HD2 HIS 19 54.686 48.141 40.378 139 HE1 HIS 19 HE1 HIS 19 56.258 47.197 44.257 140 HE2 HIS 19 HE2 HIS 19 54.348 48.356 42.988 141 H ILE 20 H ILE 20 53.964 44.577 38.348 142 HA ILE 20 HA ILE 20 52.899 47.147 37.235 143 HB ILE 20 HB ILE 20 52.264 44.383 36.249 144 HG12 ILE 20 2HG1 ILE 20 54.257 46.418 35.263 145 HG13 ILE 20 1HG1 ILE 20 54.508 44.713 35.644 146 HG21 ILE 20 1HG2 ILE 20 51.081 45.567 34.467 147 HG22 ILE 20 2HG2 ILE 20 50.444 46.091 36.016 148 HG23 ILE 20 3HG2 ILE 20 51.588 47.137 35.132 149 HD11 ILE 20 HD1 ILE 20 54.602 44.907 33.292 150 HD12 ILE 20 HD2 ILE 20 53.032 44.172 33.626 151 HD13 ILE 20 HD3 ILE 20 53.131 45.890 33.223 152 HA PRO 21 HA PRO 21 50.025 46.511 40.695 153 HB2 PRO 21 HB1 PRO 21 48.612 48.775 39.286 154 HB3 PRO 21 HB2 PRO 21 48.944 48.562 41.036 155 HG2 PRO 21 HG1 PRO 21 50.468 50.238 39.545 156 HG3 PRO 21 HG2 PRO 21 51.246 49.135 40.729 157 HD2 PRO 21 HD1 PRO 21 50.954 48.780 37.733 158 HD3 PRO 21 HD2 PRO 21 52.402 48.553 38.767 159 H ARG 22 H ARG 22 48.704 44.786 40.605 160 HA ARG 22 HA ARG 22 46.423 44.806 38.708 161 HB2 ARG 22 HB2 ARG 22 48.292 42.451 39.295 162 HB3 ARG 22 HB1 ARG 22 46.710 42.278 38.525 163 HG2 ARG 22 HG2 ARG 22 49.057 43.816 37.391 164 HG3 ARG 22 HG1 ARG 22 48.471 42.225 36.876 165 HD2 ARG 22 HD2 ARG 22 46.407 43.117 36.090 166 HD3 ARG 22 HD1 ARG 22 46.753 44.705 36.726 167 HE ARG 22 HE ARG 22 48.175 43.414 34.458 168 HH11 ARG 22 1HH1 ARG 22 47.582 46.401 36.219 169 HH12 ARG 22 2HH1 ARG 22 46.946 47.033 34.748 170 HH21 ARG 22 1HH2 ARG 22 48.320 44.783 32.667 171 HH22 ARG 22 2HH2 ARG 22 48.083 46.482 32.936 172 H PHE 23 H PHE 23 44.823 43.243 39.258 173 HA PHE 23 HA PHE 23 44.524 42.751 42.163 174 HB2 PHE 23 HB2 PHE 23 42.578 44.216 40.343 175 HB3 PHE 23 HB1 PHE 23 42.094 43.472 41.861 176 HD1 PHE 23 HD1 PHE 23 42.201 44.748 43.841 177 HD2 PHE 23 HD2 PHE 23 44.600 45.939 40.469 178 HE1 PHE 23 HE1 PHE 23 42.875 46.844 45.022 179 HE2 PHE 23 HE2 PHE 23 45.264 47.986 41.640 180 HZ PHE 23 HZ PHE 23 44.391 48.463 43.931 181 H TYR 24 H TYR 24 43.066 41.028 42.654 182 HA TYR 24 HA TYR 24 42.041 39.450 40.361 183 HB2 TYR 24 HB2 TYR 24 43.549 37.847 40.405 184 HB3 TYR 24 HB1 TYR 24 44.524 38.786 41.493 185 HD1 TYR 24 HD1 TYR 24 43.900 38.588 44.048 186 HD2 TYR 24 HD2 TYR 24 43.046 35.695 41.034 187 HE1 TYR 24 HE1 TYR 24 43.590 36.807 45.813 188 HE2 TYR 24 HE2 TYR 24 42.474 34.022 42.800 189 HH TYR 24 HH TYR 24 42.681 33.500 44.903 190 H TYR 25 H TYR 25 40.482 37.797 41.022 191 HA TYR 25 HA TYR 25 38.904 38.767 43.344 192 HB2 TYR 25 HB2 TYR 25 37.668 38.268 41.234 193 HB3 TYR 25 HB1 TYR 25 38.237 36.614 41.303 194 HD1 TYR 25 HD1 TYR 25 36.248 39.226 43.115 195 HD2 TYR 25 HD2 TYR 25 37.192 35.064 42.801 196 HE1 TYR 25 HE1 TYR 25 34.342 38.646 44.639 197 HE2 TYR 25 HE2 TYR 25 35.075 34.479 43.997 198 HH TYR 25 HH TYR 25 33.302 35.298 45.180 199 H ASN 26 H ASN 26 38.916 37.791 45.281 200 HA ASN 26 HA ASN 26 40.117 35.076 45.515 201 HB2 ASN 26 HB2 ASN 26 41.414 36.809 46.615 202 HB3 ASN 26 HB1 ASN 26 39.993 37.370 47.498 203 HD21 ASN 26 1HD2 ASN 26 41.604 34.193 46.913 204 HD22 ASN 26 2HD2 ASN 26 41.489 33.714 48.598 205 HA PRO 27 HA PRO 27 35.659 34.363 46.294 206 HB2 PRO 27 HB1 PRO 27 36.470 31.491 46.261 207 HB3 PRO 27 HB2 PRO 27 35.186 32.300 45.332 208 HG2 PRO 27 HG1 PRO 27 37.550 31.468 44.266 209 HG3 PRO 27 HG2 PRO 27 36.690 32.894 43.630 210 HD2 PRO 27 HD1 PRO 27 39.102 32.764 45.428 211 HD3 PRO 27 HD2 PRO 27 38.702 33.961 44.171 212 H ALA 28 H ALA 28 38.425 32.765 47.861 213 HA ALA 28 HA ALA 28 37.270 31.598 50.066 214 HB1 ALA 28 HB1 ALA 28 39.463 31.881 51.143 215 HB2 ALA 28 HB2 ALA 28 39.688 31.510 49.424 216 HB3 ALA 28 HB3 ALA 28 39.883 33.177 50.011 217 H SER 29 H SER 29 38.241 35.048 49.875 218 HA SER 29 HA SER 29 36.739 35.600 52.389 219 HB2 SER 29 HB2 SER 29 39.099 36.374 52.101 220 HB3 SER 29 HB1 SER 29 38.560 37.418 50.776 221 HG SER 29 HG SER 29 37.744 37.510 53.500 222 H ASN 30 H ASN 30 35.844 35.337 49.256 223 HA ASN 30 HA ASN 30 34.505 36.341 47.766 224 HB2 ASN 30 HB2 ASN 30 33.042 35.780 49.848 225 HB3 ASN 30 HB1 ASN 30 32.944 37.521 50.076 226 HD21 ASN 30 1HD2 ASN 30 32.711 38.298 47.291 227 HD22 ASN 30 2HD2 ASN 30 31.206 37.537 46.705 228 H LYS 31 H LYS 31 36.861 37.892 48.351 229 HA LYS 31 HA LYS 31 35.947 40.647 47.676 230 HB2 LYS 31 HB2 LYS 31 38.026 39.975 49.800 231 HB3 LYS 31 HB1 LYS 31 37.715 41.598 49.189 232 HG2 LYS 31 HG2 LYS 31 35.762 39.887 50.743 233 HG3 LYS 31 HG1 LYS 31 36.691 41.242 51.367 234 HD2 LYS 31 HD2 LYS 31 35.416 42.808 50.003 235 HD3 LYS 31 HD1 LYS 31 34.606 41.493 49.157 236 HE2 LYS 31 HE2 LYS 31 33.085 42.358 50.819 237 HE3 LYS 31 HE1 LYS 31 33.566 40.697 51.208 238 HZ1 LYS 31 HZ1 LYS 31 33.621 42.092 53.178 239 HZ2 LYS 31 HZ2 LYS 31 35.115 41.546 52.824 240 HZ3 LYS 31 HZ3 LYS 31 34.726 43.109 52.494 241 H CYS 32 H CYS 32 37.929 42.014 47.045 242 HA CYS 32 HA CYS 32 39.617 40.369 45.208 243 HB2 CYS 32 HB2 CYS 32 38.833 43.268 44.850 244 HB3 CYS 32 HB1 CYS 32 39.628 42.188 43.694 245 H LYS 33 H LYS 33 41.776 40.584 45.405 246 HA LYS 33 HA LYS 33 42.863 42.670 47.273 247 HB2 LYS 33 HB2 LYS 33 44.662 41.215 47.864 248 HB3 LYS 33 HB1 LYS 33 43.133 40.390 48.199 249 HG2 LYS 33 HG2 LYS 33 43.367 39.058 46.177 250 HG3 LYS 33 HG1 LYS 33 44.804 39.960 45.683 251 HD2 LYS 33 HD2 LYS 33 45.631 37.945 46.454 252 HD3 LYS 33 HD1 LYS 33 46.015 39.088 47.723 253 HE2 LYS 33 HE2 LYS 33 43.535 37.291 47.790 254 HE3 LYS 33 HE1 LYS 33 45.114 36.743 48.345 255 HZ1 LYS 33 HZ1 LYS 33 43.785 37.602 50.166 256 HZ2 LYS 33 HZ2 LYS 33 45.144 38.505 49.962 257 HZ3 LYS 33 HZ3 LYS 33 43.685 39.085 49.456 258 H GLU 34 H GLU 34 45.063 43.341 46.756 259 HA GLU 34 HA GLU 34 45.484 43.654 43.852 260 HB2 GLU 34 HB2 GLU 34 46.957 45.465 44.410 261 HB3 GLU 34 HB1 GLU 34 45.368 45.692 45.127 262 HG2 GLU 34 HG2 GLU 34 46.310 44.789 47.319 263 HG3 GLU 34 HG1 GLU 34 47.905 44.861 46.559 264 H PHE 35 H PHE 35 47.296 42.917 42.857 265 HA PHE 35 HA PHE 35 49.390 41.581 44.426 266 HB2 PHE 35 HB2 PHE 35 49.396 39.573 43.291 267 HB3 PHE 35 HB1 PHE 35 47.694 39.836 43.588 268 HD1 PHE 35 HD1 PHE 35 46.161 40.135 41.694 269 HD2 PHE 35 HD2 PHE 35 50.380 39.857 41.053 270 HE1 PHE 35 HE1 PHE 35 45.752 39.673 39.280 271 HE2 PHE 35 HE2 PHE 35 49.980 39.585 38.627 272 HZ PHE 35 HZ PHE 35 47.687 39.393 37.731 273 H ILE 36 H ILE 36 51.415 41.475 43.206 274 HA ILE 36 HA ILE 36 51.560 43.601 41.109 275 HB ILE 36 HB ILE 36 53.622 42.508 43.026 276 HG12 ILE 36 2HG1 ILE 36 52.296 44.360 43.879 277 HG13 ILE 36 1HG1 ILE 36 53.939 44.886 43.577 278 HG21 ILE 36 1HG2 ILE 36 55.269 44.007 41.806 279 HG22 ILE 36 2HG2 ILE 36 54.831 42.516 40.979 280 HG23 ILE 36 3HG2 ILE 36 54.091 44.044 40.462 281 HD11 ILE 36 HD1 ILE 36 52.476 46.644 42.861 282 HD12 ILE 36 HD2 ILE 36 53.116 45.920 41.373 283 HD13 ILE 36 HD3 ILE 36 51.463 45.546 41.945 284 H TYR 37 H TYR 37 51.634 43.087 39.142 285 HA TYR 37 HA TYR 37 52.310 40.368 38.269 286 HB2 TYR 37 HB2 TYR 37 50.334 41.390 37.482 287 HB3 TYR 37 HB1 TYR 37 51.155 42.785 36.887 288 HD1 TYR 37 HD1 TYR 37 50.059 39.407 36.188 289 HD2 TYR 37 HD2 TYR 37 52.778 42.498 34.910 290 HE1 TYR 37 HE1 TYR 37 50.309 38.294 33.985 291 HE2 TYR 37 HE2 TYR 37 52.917 41.453 32.667 292 HH TYR 37 HH TYR 37 52.299 39.686 31.354 293 H GLY 38 H GLY 38 53.828 39.794 36.835 294 HA2 GLY 38 HA2 GLY 38 56.321 41.382 36.870 295 HA3 GLY 38 HA1 GLY 38 56.117 39.706 36.373 296 H GLY 39 H GLY 39 55.581 39.195 34.350 297 HA2 GLY 39 HA2 GLY 39 54.891 40.891 32.171 298 HA3 GLY 39 HA1 GLY 39 56.642 40.882 32.301 299 H CYS 40 H CYS 40 55.310 37.864 33.321 300 HA CYS 40 HA CYS 40 55.640 36.598 30.689 301 HB2 CYS 40 HB2 CYS 40 57.481 35.825 32.975 302 HB3 CYS 40 HB1 CYS 40 57.499 35.203 31.339 303 H GLY 41 H GLY 41 53.560 35.797 30.936 304 HA2 GLY 41 HA2 GLY 41 52.274 33.836 31.468 305 HA3 GLY 41 HA1 GLY 41 53.125 33.687 33.004 306 H GLY 42 H GLY 42 50.375 33.566 32.860 307 HA2 GLY 42 HA2 GLY 42 49.488 35.151 34.843 308 HA3 GLY 42 HA1 GLY 42 49.070 36.096 33.408 309 H ASN 43 H ASN 43 47.047 35.325 34.965 310 HA ASN 43 HA ASN 43 45.744 33.069 33.499 311 HB2 ASN 43 HB2 ASN 43 44.550 32.551 35.539 312 HB3 ASN 43 HB1 ASN 43 46.272 32.573 35.860 313 HD21 ASN 43 1HD2 ASN 43 44.993 32.675 38.086 314 HD22 ASN 43 2HD2 ASN 43 44.869 34.258 38.715 315 H ALA 44 H ALA 44 43.292 33.223 33.601 316 HA ALA 44 HA ALA 44 42.388 35.725 32.477 317 HB1 ALA 44 HB1 ALA 44 40.211 34.540 32.358 318 HB2 ALA 44 HB2 ALA 44 41.538 33.540 31.738 319 HB3 ALA 44 HB3 ALA 44 40.871 33.224 33.354 320 H ASN 45 H ASN 45 43.140 35.346 35.586 321 HA ASN 45 HA ASN 45 40.750 36.728 36.669 322 HB2 ASN 45 HB2 ASN 45 41.801 34.416 37.630 323 HB3 ASN 45 HB1 ASN 45 42.833 35.554 38.476 324 HD21 ASN 45 1HD2 ASN 45 41.677 34.335 40.292 325 HD22 ASN 45 2HD2 ASN 45 40.221 35.083 40.894 326 H ASN 46 H ASN 46 43.211 37.683 35.088 327 HA ASN 46 HA ASN 46 44.631 39.482 36.867 328 HB2 ASN 46 HB2 ASN 46 45.722 40.179 34.796 329 HB3 ASN 46 HB1 ASN 46 45.712 38.420 34.909 330 HD21 ASN 46 1HD2 ASN 46 45.898 40.324 32.534 331 HD22 ASN 46 2HD2 ASN 46 44.579 39.742 31.505 332 H PHE 47 H PHE 47 43.596 41.227 37.690 333 HA PHE 47 HA PHE 47 41.809 42.774 35.868 334 HB2 PHE 47 HB2 PHE 47 41.765 42.876 38.867 335 HB3 PHE 47 HB1 PHE 47 40.562 43.484 37.749 336 HD1 PHE 47 HD1 PHE 47 40.401 40.829 36.010 337 HD2 PHE 47 HD2 PHE 47 40.345 41.660 40.224 338 HE1 PHE 47 HE1 PHE 47 39.146 38.738 36.412 339 HE2 PHE 47 HE2 PHE 47 38.828 39.776 40.566 340 HZ PHE 47 HZ PHE 47 38.244 38.245 38.671 341 H GLU 48 H GLU 48 41.855 44.975 35.871 342 HA GLU 48 HA GLU 48 44.263 46.386 36.497 343 HB2 GLU 48 HB2 GLU 48 41.439 47.199 35.686 344 HB3 GLU 48 HB1 GLU 48 42.678 48.405 35.991 345 HG2 GLU 48 HG2 GLU 48 42.861 46.172 33.926 346 HG3 GLU 48 HG1 GLU 48 42.510 47.875 33.596 347 H THR 49 H THR 49 41.080 46.503 38.104 348 HA THR 49 HA THR 49 42.314 47.385 40.631 349 HB THR 49 HB THR 49 40.885 49.332 40.934 350 HG1 THR 49 HG1 THR 49 40.458 49.467 38.225 351 HG21 THR 49 1HG2 THR 49 42.060 50.956 39.645 352 HG22 THR 49 2HG2 THR 49 43.196 49.682 40.119 353 HG23 THR 49 3HG2 THR 49 42.577 49.742 38.461 354 H ARG 50 H ARG 50 40.590 47.709 42.358 355 HA ARG 50 HA ARG 50 38.755 45.580 42.583 356 HB2 ARG 50 HB2 ARG 50 38.332 48.315 43.845 357 HB3 ARG 50 HB1 ARG 50 37.742 46.753 44.420 358 HG2 ARG 50 HG2 ARG 50 40.260 46.112 44.631 359 HG3 ARG 50 HG1 ARG 50 40.570 47.855 44.487 360 HD2 ARG 50 HD2 ARG 50 38.958 46.392 46.596 361 HD3 ARG 50 HD1 ARG 50 40.500 47.241 46.822 362 HE ARG 50 HE ARG 50 39.113 49.341 46.103 363 HH11 ARG 50 1HH1 ARG 50 38.152 46.867 48.347 364 HH12 ARG 50 2HH1 ARG 50 37.035 47.901 49.186 365 HH21 ARG 50 1HH2 ARG 50 37.684 50.644 47.241 366 HH22 ARG 50 2HH2 ARG 50 36.779 49.993 48.561 367 H ALA 51 H ALA 51 38.343 48.421 40.604 368 HA ALA 51 HA ALA 51 35.414 48.258 40.531 369 HB1 ALA 51 HB1 ALA 51 35.635 49.948 38.757 370 HB2 ALA 51 HB2 ALA 51 36.608 50.399 40.179 371 HB3 ALA 51 HB3 ALA 51 37.398 49.717 38.740 372 H GLU 52 H GLU 52 38.155 47.143 38.485 373 HA GLU 52 HA GLU 52 36.457 45.919 36.463 374 HB2 GLU 52 HB2 GLU 52 38.666 46.630 35.886 375 HB3 GLU 52 HB1 GLU 52 39.395 45.607 37.140 376 HG2 GLU 52 HG2 GLU 52 38.801 43.592 36.008 377 HG3 GLU 52 HG1 GLU 52 37.576 44.411 35.018 378 H CYS 53 H CYS 53 38.257 44.671 39.343 379 HA CYS 53 HA CYS 53 37.585 42.011 39.136 380 HB2 CYS 53 HB2 CYS 53 38.269 41.825 41.284 381 HB3 CYS 53 HB1 CYS 53 38.840 43.470 41.029 382 H ARG 54 H ARG 54 35.411 44.574 39.979 383 HA ARG 54 HA ARG 54 33.164 42.864 40.724 384 HB2 ARG 54 HB2 ARG 54 33.298 45.790 39.931 385 HB3 ARG 54 HB1 ARG 54 31.829 44.968 40.425 386 HG2 ARG 54 HG2 ARG 54 32.797 44.515 42.654 387 HG3 ARG 54 HG1 ARG 54 34.337 45.178 42.160 388 HD2 ARG 54 HD2 ARG 54 33.175 46.835 43.434 389 HD3 ARG 54 HD1 ARG 54 33.160 47.372 41.740 390 HE ARG 54 HE ARG 54 30.841 45.761 42.345 391 HH11 ARG 54 1HH1 ARG 54 32.049 48.979 42.934 392 HH12 ARG 54 2HH1 ARG 54 30.483 49.644 43.258 393 HH21 ARG 54 1HH2 ARG 54 28.864 46.613 42.869 394 HH22 ARG 54 2HH2 ARG 54 28.718 48.295 43.287 395 H HIS 55 H HIS 55 34.008 44.672 37.756 396 HA HIS 55 HA HIS 55 31.630 43.755 36.315 397 HB2 HIS 55 HB2 HIS 55 34.241 44.977 35.352 398 HB3 HIS 55 HB1 HIS 55 32.870 44.614 34.322 399 HD1 HIS 55 HD1 HIS 55 33.908 47.056 37.078 400 HD2 HIS 55 HD2 HIS 55 30.801 46.271 34.331 401 HE1 HIS 55 HE1 HIS 55 32.493 49.210 36.950 402 HE2 HIS 55 HE2 HIS 55 30.609 48.716 35.244 403 H THR 56 H THR 56 34.858 42.404 36.738 404 HA THR 56 HA THR 56 34.311 40.224 34.897 405 HB THR 56 HB THR 56 36.659 40.504 36.803 406 HG1 THR 56 HG1 THR 56 37.587 41.590 34.949 407 HG21 THR 56 1HG2 THR 56 37.819 39.461 34.774 408 HG22 THR 56 2HG2 THR 56 36.655 38.405 35.588 409 HG23 THR 56 3HG2 THR 56 36.228 39.209 34.064 410 H CYS 57 H CYS 57 33.825 40.674 38.337 411 HA CYS 57 HA CYS 57 32.897 37.875 38.503 412 HB2 CYS 57 HB2 CYS 57 35.426 38.409 39.335 413 HB3 CYS 57 HB1 CYS 57 34.560 38.750 40.827 414 H VAL 58 H VAL 58 33.317 40.755 40.649 415 HA VAL 58 HA VAL 58 30.751 40.106 41.938 416 HB VAL 58 HB VAL 58 32.479 42.461 42.681 417 HG11 VAL 58 1HG1 VAL 58 31.475 42.107 44.889 418 HG12 VAL 58 2HG1 VAL 58 30.186 42.334 43.704 419 HG13 VAL 58 3HG1 VAL 58 30.577 40.702 44.284 420 HG21 VAL 58 1HG2 VAL 58 33.495 40.975 44.386 421 HG22 VAL 58 2HG2 VAL 58 32.746 39.590 43.541 422 HG23 VAL 58 3HG2 VAL 58 33.990 40.588 42.737 423 H ALA 59 H ALA 59 29.913 40.569 39.539 424 HA ALA 59 HA ALA 59 28.100 42.792 39.902 425 HB1 ALA 59 HB1 ALA 59 28.685 44.054 37.869 426 HB2 ALA 59 HB2 ALA 59 30.102 43.997 38.912 427 HB3 ALA 59 HB3 ALA 59 29.976 42.915 37.511 428 H SER 60 H SER 60 26.470 42.912 38.240 429 HA SER 60 HA SER 60 26.314 40.636 36.317 430 HB2 SER 60 HB2 SER 60 23.991 41.692 37.952 431 HB3 SER 60 HB1 SER 60 23.959 40.363 36.782 432 HG SER 60 HG SER 60 24.049 39.670 38.917 433 H ARG 61 H ARG 61 27.000 43.592 36.052 434 HA ARG 61 HA ARG 61 24.790 44.504 34.237 435 HB2 ARG 61 HB2 ARG 61 25.467 46.805 34.726 436 HB3 ARG 61 HB1 ARG 61 24.855 45.919 36.126 437 HG2 ARG 61 HG2 ARG 61 27.123 45.620 37.006 438 HG3 ARG 61 HG1 ARG 61 27.837 46.358 35.576 439 HD2 ARG 61 HD2 ARG 61 27.819 47.980 37.314 440 HD3 ARG 61 HD1 ARG 61 26.646 48.478 36.087 441 HE ARG 61 HE ARG 61 24.876 47.430 37.574 442 HH11 ARG 61 1HH1 ARG 61 27.666 49.011 38.938 443 HH12 ARG 61 2HH1 ARG 61 26.830 49.363 40.430 444 HH21 ARG 61 1HH2 ARG 61 23.902 47.873 39.506 445 HH22 ARG 61 2HH2 ARG 61 24.760 48.682 40.766 446 H LYS 62 H LYS 62 25.969 42.986 32.822 447 HA LYS 62 HA LYS 62 28.176 44.340 31.329 448 HB2 LYS 62 HB2 LYS 62 29.004 42.323 30.590 449 HB3 LYS 62 HB1 LYS 62 28.667 42.022 32.284 450 HG2 LYS 62 HG2 LYS 62 26.963 41.135 29.900 451 HG3 LYS 62 HG1 LYS 62 28.070 40.134 30.821 452 HD2 LYS 62 HD2 LYS 62 26.659 40.314 32.838 453 HD3 LYS 62 HD1 LYS 62 25.562 41.415 31.986 454 HE2 LYS 62 HE2 LYS 62 24.576 39.224 32.017 455 HE3 LYS 62 HE1 LYS 62 24.951 39.726 30.371 456 HZ1 LYS 62 HZ1 LYS 62 25.579 37.426 30.755 457 HZ2 LYS 62 HZ2 LYS 62 26.918 38.308 30.441 458 HZ3 LYS 62 HZ3 LYS 62 26.591 37.846 31.977 459 H GLY 63 H GLY 63 28.084 44.301 29.020 460 HA2 GLY 63 HA2 GLY 63 25.512 43.763 27.708 461 HA3 GLY 63 HA1 GLY 63 25.974 45.469 27.813 462 H GLY 64 H GLY 64 26.478 45.879 25.697 463 HA2 GLY 64 HA2 GLY 64 28.349 44.148 24.190 464 HA3 GLY 64 HA1 GLY 64 27.430 45.524 23.584 465 HA PRO 65 HA PRO 65 31.859 46.857 24.160 466 HB2 PRO 65 HB1 PRO 65 32.284 47.954 21.700 467 HB3 PRO 65 HB2 PRO 65 32.314 46.196 21.983 468 HG2 PRO 65 HG1 PRO 65 29.970 47.873 21.003 469 HG3 PRO 65 HG2 PRO 65 30.663 46.395 20.250 470 HD2 PRO 65 HD1 PRO 65 28.513 46.283 21.893 471 HD3 PRO 65 HD2 PRO 65 29.757 45.007 21.935 472 H ARG 66 H ARG 66 29.085 48.300 24.545 473 HA ARG 66 HA ARG 66 28.154 50.352 24.864 474 HB2 ARG 66 HB2 ARG 66 29.874 50.374 26.625 475 HB3 ARG 66 HB1 ARG 66 31.020 51.108 25.513 476 HG2 ARG 66 HG2 ARG 66 29.446 53.100 25.297 477 HG3 ARG 66 HG1 ARG 66 28.451 52.348 26.568 478 HD2 ARG 66 HD2 ARG 66 30.430 52.331 28.077 479 HD3 ARG 66 HD1 ARG 66 31.405 53.052 26.777 480 HE ARG 66 HE ARG 66 29.071 54.651 27.387 481 HH11 ARG 66 1HH1 ARG 66 32.382 54.085 28.354 482 HH12 ARG 66 2HH1 ARG 66 32.559 55.662 29.051 483 HH21 ARG 66 1HH2 ARG 66 29.363 56.671 28.281 484 HH22 ARG 66 2HH2 ARG 66 30.873 57.093 29.019 485 H ARG 67 H ARG 67 31.174 51.464 23.380 486 HA ARG 67 HA ARG 67 31.526 53.227 21.874 487 HB2 ARG 67 HB2 ARG 67 31.231 51.194 20.531 488 HB3 ARG 67 HB1 ARG 67 29.507 51.524 20.408 489 HG2 ARG 67 HG2 ARG 67 30.106 53.732 19.238 490 HG3 ARG 67 HG1 ARG 67 31.802 53.231 19.313 491 HD2 ARG 67 HD2 ARG 67 30.846 52.704 17.132 492 HD3 ARG 67 HD1 ARG 67 31.247 51.205 17.991 493 HE ARG 67 HE ARG 67 28.499 52.108 18.399 494 HH11 ARG 67 1HH1 ARG 67 30.496 50.343 16.141 495 HH12 ARG 67 2HH1 ARG 67 29.173 49.394 15.526 496 HH21 ARG 67 1HH2 ARG 67 26.828 50.893 17.567 497 HH22 ARG 67 2HH2 ARG 67 27.114 49.717 16.324 498 HA PRO 68 HA PRO 68 27.954 55.858 23.214 499 HB2 PRO 68 HB1 PRO 68 30.203 57.863 23.257 500 HB3 PRO 68 HB2 PRO 68 28.902 57.598 24.456 501 HG2 PRO 68 HG1 PRO 68 31.454 56.739 24.929 502 HG3 PRO 68 HG2 PRO 68 30.038 55.727 25.374 503 HD2 PRO 68 HD1 PRO 68 31.776 55.528 22.896 504 HD3 PRO 68 HD2 PRO 68 31.257 54.230 24.008 Start of MODEL 8 1 H PCA 1 H PGA 1 27.851 27.634 41.249 2 HA PCA 1 HA PGA 1 29.317 29.790 41.973 3 HB2 PCA 1 HB1 PGA 1 31.139 28.620 39.849 4 HB3 PCA 1 HB2 PGA 1 31.550 29.646 41.250 5 HG2 PCA 1 HG1 PGA 1 31.816 26.867 41.207 6 HG3 PCA 1 HG2 PGA 1 31.417 27.759 42.718 7 H ASP 2 H ASP 2 27.493 30.890 41.038 8 HA ASP 2 HA ASP 2 26.850 30.940 38.255 9 HB2 ASP 2 HB2 ASP 2 25.370 31.768 40.034 10 HB3 ASP 2 HB1 ASP 2 26.532 33.039 40.445 11 H ARG 3 H ARG 3 29.457 32.382 39.978 12 HA ARG 3 HA ARG 3 30.091 34.365 37.871 13 HB2 ARG 3 HB2 ARG 3 31.577 33.839 40.490 14 HB3 ARG 3 HB1 ARG 3 31.692 35.260 39.467 15 HG2 ARG 3 HG2 ARG 3 29.531 34.506 41.379 16 HG3 ARG 3 HG1 ARG 3 30.393 36.019 41.216 17 HD2 ARG 3 HD2 ARG 3 28.113 34.970 39.500 18 HD3 ARG 3 HD1 ARG 3 28.092 36.350 40.577 19 HE ARG 3 HE ARG 3 30.012 37.125 38.875 20 HH11 ARG 3 1HH1 ARG 3 26.771 35.919 38.168 21 HH12 ARG 3 2HH1 ARG 3 26.679 36.835 36.729 22 HH21 ARG 3 1HH2 ARG 3 29.730 38.346 37.082 23 HH22 ARG 3 2HH2 ARG 3 28.293 38.198 36.100 24 HA PRO 4 HA PRO 4 32.791 31.890 35.702 25 HB2 PRO 4 HB1 PRO 4 35.204 33.211 35.345 26 HB3 PRO 4 HB2 PRO 4 33.684 33.584 34.468 27 HG2 PRO 4 HG1 PRO 4 34.850 34.944 36.868 28 HG3 PRO 4 HG2 PRO 4 34.089 35.696 35.449 29 HD2 PRO 4 HD1 PRO 4 32.785 35.370 37.789 30 HD3 PRO 4 HD2 PRO 4 31.920 35.211 36.238 31 H LYS 5 H LYS 5 34.040 30.120 36.012 32 HA LYS 5 HA LYS 5 35.118 29.491 38.531 33 HB2 LYS 5 HB2 LYS 5 35.882 27.446 37.572 34 HB3 LYS 5 HB1 LYS 5 34.301 27.841 36.924 35 HG2 LYS 5 HG2 LYS 5 35.402 28.667 34.809 36 HG3 LYS 5 HG1 LYS 5 36.973 28.253 35.497 37 HD2 LYS 5 HD2 LYS 5 36.427 26.465 34.043 38 HD3 LYS 5 HD1 LYS 5 36.236 25.880 35.688 39 HE2 LYS 5 HE2 LYS 5 34.404 24.960 34.672 40 HE3 LYS 5 HE1 LYS 5 33.684 26.382 35.386 41 HZ1 LYS 5 HZ1 LYS 5 33.053 25.856 33.000 42 HZ2 LYS 5 HZ2 LYS 5 33.634 27.371 33.147 43 HZ3 LYS 5 HZ3 LYS 5 34.523 26.120 32.521 44 H PHE 6 H PHE 6 36.825 31.055 35.850 45 HA PHE 6 HA PHE 6 39.466 30.490 36.833 46 HB2 PHE 6 HB2 PHE 6 40.189 32.351 35.437 47 HB3 PHE 6 HB1 PHE 6 39.168 31.227 34.565 48 HD1 PHE 6 HD1 PHE 6 38.964 34.504 36.473 49 HD2 PHE 6 HD2 PHE 6 37.546 32.144 33.152 50 HE1 PHE 6 HE1 PHE 6 37.565 36.379 35.742 51 HE2 PHE 6 HE2 PHE 6 36.187 34.079 32.380 52 HZ PHE 6 HZ PHE 6 36.181 36.191 33.700 53 H CYS 7 H CYS 7 37.000 32.657 38.046 54 HA CYS 7 HA CYS 7 38.666 34.451 39.473 55 HB2 CYS 7 HB2 CYS 7 35.861 33.428 39.855 56 HB3 CYS 7 HB1 CYS 7 36.632 34.424 41.028 57 H TYR 8 H TYR 8 38.025 31.032 40.024 58 HA TYR 8 HA TYR 8 38.717 31.103 42.875 59 HB2 TYR 8 HB2 TYR 8 38.225 28.851 40.905 60 HB3 TYR 8 HB1 TYR 8 38.662 28.610 42.579 61 HD1 TYR 8 HD1 TYR 8 36.038 30.325 40.475 62 HD2 TYR 8 HD2 TYR 8 37.039 28.506 44.245 63 HE1 TYR 8 HE1 TYR 8 33.675 30.558 41.207 64 HE2 TYR 8 HE2 TYR 8 34.676 28.709 44.977 65 HH TYR 8 HH TYR 8 32.603 29.422 44.425 66 H LEU 9 H LEU 9 40.466 30.925 39.911 67 HA LEU 9 HA LEU 9 42.792 29.508 40.871 68 HB2 LEU 9 HB2 LEU 9 42.465 31.555 38.650 69 HB3 LEU 9 HB1 LEU 9 43.871 30.525 38.894 70 HG LEU 9 HG LEU 9 41.099 29.394 38.347 71 HD11 LEU 9 1HD1 LEU 9 41.766 29.146 36.031 72 HD12 LEU 9 2HD1 LEU 9 41.835 30.860 36.495 73 HD13 LEU 9 3HD1 LEU 9 43.331 29.918 36.368 74 HD21 LEU 9 1HD2 LEU 9 42.392 27.395 37.660 75 HD22 LEU 9 2HD2 LEU 9 43.906 28.218 38.096 76 HD23 LEU 9 3HD2 LEU 9 42.716 27.803 39.347 77 HA PRO 10 HA PRO 10 44.035 32.832 43.723 78 HB2 PRO 10 HB1 PRO 10 46.625 31.344 43.374 79 HB3 PRO 10 HB2 PRO 10 45.907 32.024 44.865 80 HG2 PRO 10 HG1 PRO 10 45.653 29.388 44.380 81 HG3 PRO 10 HG2 PRO 10 44.217 30.314 44.917 82 HD2 PRO 10 HD1 PRO 10 44.989 29.502 42.107 83 HD3 PRO 10 HD2 PRO 10 43.407 29.371 42.924 84 H ASP 11 H ASP 11 45.795 34.563 43.771 85 HA ASP 11 HA ASP 11 45.914 35.860 41.249 86 HB2 ASP 11 HB2 ASP 11 47.502 37.389 42.328 87 HB3 ASP 11 HB1 ASP 11 46.011 37.179 43.217 88 H ASP 12 H ASP 12 47.031 35.360 39.526 89 HA ASP 12 HA ASP 12 49.659 33.967 39.786 90 HB2 ASP 12 HB2 ASP 12 47.849 32.450 39.086 91 HB3 ASP 12 HB1 ASP 12 47.587 33.455 37.666 92 HA PRO 13 HA PRO 13 50.401 37.960 37.520 93 HB2 PRO 13 HB1 PRO 13 53.007 38.185 38.535 94 HB3 PRO 13 HB2 PRO 13 51.532 38.834 39.295 95 HG2 PRO 13 HG1 PRO 13 52.885 36.258 39.963 96 HG3 PRO 13 HG2 PRO 13 52.334 37.555 41.069 97 HD2 PRO 13 HD1 PRO 13 50.808 35.412 40.656 98 HD3 PRO 13 HD2 PRO 13 50.038 37.018 40.689 99 H GLY 14 H GLY 14 51.879 34.850 37.634 100 HA2 GLY 14 HA2 GLY 14 52.681 33.667 35.777 101 HA3 GLY 14 HA1 GLY 14 53.064 35.171 34.944 102 H VAL 15 H VAL 15 54.954 33.549 34.664 103 HA VAL 15 HA VAL 15 56.801 33.120 36.773 104 HB VAL 15 HB VAL 15 57.570 32.967 33.846 105 HG11 VAL 15 1HG1 VAL 15 58.670 30.860 34.589 106 HG12 VAL 15 2HG1 VAL 15 59.280 32.232 35.498 107 HG13 VAL 15 3HG1 VAL 15 58.094 31.143 36.245 108 HG21 VAL 15 1HG2 VAL 15 56.523 30.680 33.765 109 HG22 VAL 15 2HG2 VAL 15 55.677 31.049 35.280 110 HG23 VAL 15 3HG2 VAL 15 55.356 31.983 33.790 111 H CYS 16 H CYS 16 56.278 36.035 35.484 112 HA CYS 16 HA CYS 16 59.064 36.866 34.953 113 HB2 CYS 16 HB2 CYS 16 56.389 37.956 34.446 114 HB3 CYS 16 HB1 CYS 16 57.501 39.168 35.047 115 H LYS 17 H LYS 17 59.800 38.870 35.976 116 HA LYS 17 HA LYS 17 59.242 38.965 38.914 117 HB2 LYS 17 HB2 LYS 17 61.600 39.103 39.369 118 HB3 LYS 17 HB1 LYS 17 61.241 37.613 38.522 119 HG2 LYS 17 HG2 LYS 17 62.230 40.074 37.011 120 HG3 LYS 17 HG1 LYS 17 63.334 39.029 37.884 121 HD2 LYS 17 HD2 LYS 17 62.699 37.092 36.521 122 HD3 LYS 17 HD1 LYS 17 61.496 38.037 35.659 123 HE2 LYS 17 HE2 LYS 17 63.450 37.875 34.275 124 HE3 LYS 17 HE1 LYS 17 63.209 39.559 34.779 125 HZ1 LYS 17 HZ1 LYS 17 65.533 38.874 34.991 126 HZ2 LYS 17 HZ2 LYS 17 64.907 39.215 36.487 127 HZ3 LYS 17 HZ3 LYS 17 65.127 37.652 36.012 128 H ALA 18 H ALA 18 58.237 40.699 36.815 129 HA ALA 18 HA ALA 18 59.691 43.251 37.164 130 HB1 ALA 18 HB1 ALA 18 58.221 44.127 35.482 131 HB2 ALA 18 HB2 ALA 18 58.701 42.514 34.939 132 HB3 ALA 18 HB3 ALA 18 57.098 42.772 35.652 133 H HIS 19 H HIS 19 57.262 44.897 37.162 134 HA HIS 19 HA HIS 19 55.810 44.162 39.556 135 HB2 HIS 19 HB2 HIS 19 57.972 45.132 40.412 136 HB3 HIS 19 HB1 HIS 19 57.545 46.663 39.657 137 HD1 HIS 19 HD1 HIS 19 57.634 45.344 42.899 138 HD2 HIS 19 HD2 HIS 19 54.698 47.346 40.623 139 HE1 HIS 19 HE1 HIS 19 56.024 46.441 44.595 140 HE2 HIS 19 HE2 HIS 19 54.210 47.617 43.189 141 H ILE 20 H ILE 20 53.861 44.380 38.449 142 HA ILE 20 HA ILE 20 53.157 47.189 37.720 143 HB ILE 20 HB ILE 20 52.024 44.789 36.300 144 HG12 ILE 20 2HG1 ILE 20 54.517 46.377 35.601 145 HG13 ILE 20 1HG1 ILE 20 54.367 44.628 35.827 146 HG21 ILE 20 1HG2 ILE 20 51.388 46.539 34.651 147 HG22 ILE 20 2HG2 ILE 20 50.712 46.881 36.236 148 HG23 ILE 20 3HG2 ILE 20 52.149 47.764 35.662 149 HD11 ILE 20 HD1 ILE 20 54.591 44.967 33.515 150 HD12 ILE 20 HD2 ILE 20 52.862 44.629 33.733 151 HD13 ILE 20 HD3 ILE 20 53.413 46.290 33.489 152 HA PRO 21 HA PRO 21 50.062 46.521 40.928 153 HB2 PRO 21 HB1 PRO 21 48.693 48.820 39.533 154 HB3 PRO 21 HB2 PRO 21 48.989 48.579 41.276 155 HG2 PRO 21 HG1 PRO 21 50.543 50.284 39.854 156 HG3 PRO 21 HG2 PRO 21 51.297 49.170 41.046 157 HD2 PRO 21 HD1 PRO 21 51.096 48.850 38.039 158 HD3 PRO 21 HD2 PRO 21 52.505 48.608 39.115 159 H ARG 22 H ARG 22 48.662 44.862 40.760 160 HA ARG 22 HA ARG 22 46.598 44.849 38.645 161 HB2 ARG 22 HB2 ARG 22 48.837 43.518 38.163 162 HB3 ARG 22 HB1 ARG 22 48.181 42.355 39.303 163 HG2 ARG 22 HG2 ARG 22 47.671 41.650 37.028 164 HG3 ARG 22 HG1 ARG 22 46.166 42.119 37.800 165 HD2 ARG 22 HD2 ARG 22 46.147 42.997 35.571 166 HD3 ARG 22 HD1 ARG 22 46.376 44.379 36.649 167 HE ARG 22 HE ARG 22 48.895 43.285 35.716 168 HH11 ARG 22 1HH1 ARG 22 46.255 45.390 34.729 169 HH12 ARG 22 2HH1 ARG 22 47.183 46.255 33.583 170 HH21 ARG 22 1HH2 ARG 22 50.053 44.347 34.139 171 HH22 ARG 22 2HH2 ARG 22 49.317 45.684 33.284 172 H PHE 23 H PHE 23 44.957 43.134 39.107 173 HA PHE 23 HA PHE 23 44.532 42.709 42.020 174 HB2 PHE 23 HB2 PHE 23 42.698 44.150 40.071 175 HB3 PHE 23 HB1 PHE 23 42.148 43.492 41.606 176 HD1 PHE 23 HD1 PHE 23 42.305 44.811 43.574 177 HD2 PHE 23 HD2 PHE 23 44.648 45.872 40.120 178 HE1 PHE 23 HE1 PHE 23 43.010 46.936 44.676 179 HE2 PHE 23 HE2 PHE 23 45.323 47.977 41.212 180 HZ PHE 23 HZ PHE 23 44.504 48.514 43.505 181 H TYR 24 H TYR 24 43.010 41.085 42.522 182 HA TYR 24 HA TYR 24 41.905 39.468 40.304 183 HB2 TYR 24 HB2 TYR 24 43.315 37.787 40.424 184 HB3 TYR 24 HB1 TYR 24 44.376 38.733 41.417 185 HD1 TYR 24 HD1 TYR 24 43.520 38.752 43.985 186 HD2 TYR 24 HD2 TYR 24 43.055 35.632 41.133 187 HE1 TYR 24 HE1 TYR 24 43.165 37.088 45.850 188 HE2 TYR 24 HE2 TYR 24 42.430 34.045 42.937 189 HH TYR 24 HH TYR 24 42.386 33.686 45.130 190 H TYR 25 H TYR 25 40.282 37.896 41.095 191 HA TYR 25 HA TYR 25 38.880 38.961 43.511 192 HB2 TYR 25 HB2 TYR 25 37.436 38.783 41.539 193 HB3 TYR 25 HB1 TYR 25 37.866 37.084 41.356 194 HD1 TYR 25 HD1 TYR 25 36.285 39.636 43.578 195 HD2 TYR 25 HD2 TYR 25 36.582 35.498 42.578 196 HE1 TYR 25 HE1 TYR 25 34.315 39.149 45.037 197 HE2 TYR 25 HE2 TYR 25 34.442 35.047 43.776 198 HH TYR 25 HH TYR 25 32.883 35.881 45.124 199 H ASN 26 H ASN 26 38.881 37.888 45.371 200 HA ASN 26 HA ASN 26 39.887 35.094 45.430 201 HB2 ASN 26 HB2 ASN 26 41.114 36.874 46.687 202 HB3 ASN 26 HB1 ASN 26 39.700 37.075 47.721 203 HD21 ASN 26 1HD2 ASN 26 42.566 35.815 48.071 204 HD22 ASN 26 2HD2 ASN 26 42.092 34.421 49.023 205 HA PRO 27 HA PRO 27 35.369 34.506 46.204 206 HB2 PRO 27 HB1 PRO 27 35.306 31.828 45.439 207 HB3 PRO 27 HB2 PRO 27 35.081 33.176 44.316 208 HG2 PRO 27 HG1 PRO 27 37.539 31.565 44.818 209 HG3 PRO 27 HG2 PRO 27 36.919 32.247 43.280 210 HD2 PRO 27 HD1 PRO 27 38.979 33.342 44.735 211 HD3 PRO 27 HD2 PRO 27 37.886 34.316 43.722 212 H ALA 28 H ALA 28 38.245 32.854 47.407 213 HA ALA 28 HA ALA 28 36.890 31.144 49.290 214 HB1 ALA 28 HB1 ALA 28 39.071 30.735 50.180 215 HB2 ALA 28 HB2 ALA 28 39.235 30.819 48.419 216 HB3 ALA 28 HB3 ALA 28 39.744 32.192 49.438 217 H SER 29 H SER 29 37.321 34.546 49.249 218 HA SER 29 HA SER 29 36.053 34.644 51.935 219 HB2 SER 29 HB2 SER 29 38.435 36.412 51.274 220 HB3 SER 29 HB1 SER 29 37.531 36.331 52.803 221 HG SER 29 HG SER 29 38.256 33.902 52.448 222 H ASN 30 H ASN 30 35.397 35.282 48.957 223 HA ASN 30 HA ASN 30 34.361 36.894 47.709 224 HB2 ASN 30 HB2 ASN 30 32.671 36.161 49.471 225 HB3 ASN 30 HB1 ASN 30 33.040 37.652 50.338 226 HD21 ASN 30 1HD2 ASN 30 31.475 36.276 47.527 227 HD22 ASN 30 2HD2 ASN 30 30.687 37.797 47.061 228 H LYS 31 H LYS 31 36.805 37.860 47.926 229 HA LYS 31 HA LYS 31 36.347 40.770 48.137 230 HB2 LYS 31 HB2 LYS 31 38.131 41.176 49.748 231 HB3 LYS 31 HB1 LYS 31 36.835 40.214 50.414 232 HG2 LYS 31 HG2 LYS 31 38.530 38.982 51.260 233 HG3 LYS 31 HG1 LYS 31 38.378 38.137 49.738 234 HD2 LYS 31 HD2 LYS 31 40.695 38.484 50.151 235 HD3 LYS 31 HD1 LYS 31 40.272 39.579 48.829 236 HE2 LYS 31 HE2 LYS 31 40.017 41.444 50.491 237 HE3 LYS 31 HE1 LYS 31 40.420 40.318 51.792 238 HZ1 LYS 31 HZ1 LYS 31 42.335 41.603 51.135 239 HZ2 LYS 31 HZ2 LYS 31 42.595 40.031 50.761 240 HZ3 LYS 31 HZ3 LYS 31 42.212 41.118 49.569 241 H CYS 32 H CYS 32 37.782 42.078 47.019 242 HA CYS 32 HA CYS 32 39.616 40.611 45.177 243 HB2 CYS 32 HB2 CYS 32 38.779 43.515 45.067 244 HB3 CYS 32 HB1 CYS 32 39.618 42.568 43.829 245 H LYS 33 H LYS 33 41.804 40.835 45.281 246 HA LYS 33 HA LYS 33 42.938 42.859 47.175 247 HB2 LYS 33 HB2 LYS 33 44.584 41.397 48.013 248 HB3 LYS 33 HB1 LYS 33 43.100 40.428 48.048 249 HG2 LYS 33 HG2 LYS 33 43.750 39.541 45.808 250 HG3 LYS 33 HG1 LYS 33 45.346 40.282 45.995 251 HD2 LYS 33 HD2 LYS 33 44.144 38.122 47.783 252 HD3 LYS 33 HD1 LYS 33 45.269 37.876 46.448 253 HE2 LYS 33 HE2 LYS 33 46.876 39.437 47.668 254 HE3 LYS 33 HE1 LYS 33 45.854 39.214 49.107 255 HZ1 LYS 33 HZ1 LYS 33 47.704 37.553 48.898 256 HZ2 LYS 33 HZ2 LYS 33 46.249 36.774 48.841 257 HZ3 LYS 33 HZ3 LYS 33 47.101 37.046 47.471 258 H GLU 34 H GLU 34 45.095 43.547 46.644 259 HA GLU 34 HA GLU 34 45.562 43.642 43.734 260 HB2 GLU 34 HB2 GLU 34 47.030 45.495 44.180 261 HB3 GLU 34 HB1 GLU 34 45.427 45.762 44.874 262 HG2 GLU 34 HG2 GLU 34 46.375 44.979 47.124 263 HG3 GLU 34 HG1 GLU 34 47.977 45.041 46.367 264 H PHE 35 H PHE 35 47.409 42.894 42.816 265 HA PHE 35 HA PHE 35 49.452 41.581 44.474 266 HB2 PHE 35 HB2 PHE 35 49.487 39.570 43.293 267 HB3 PHE 35 HB1 PHE 35 47.804 39.824 43.696 268 HD1 PHE 35 HD1 PHE 35 46.148 39.988 41.920 269 HD2 PHE 35 HD2 PHE 35 50.331 39.913 40.972 270 HE1 PHE 35 HE1 PHE 35 45.607 39.522 39.523 271 HE2 PHE 35 HE2 PHE 35 49.768 39.667 38.563 272 HZ PHE 35 HZ PHE 35 47.422 39.346 37.859 273 H ILE 36 H ILE 36 51.438 41.180 43.173 274 HA ILE 36 HA ILE 36 51.909 43.486 41.342 275 HB ILE 36 HB ILE 36 53.654 41.853 43.162 276 HG12 ILE 36 2HG1 ILE 36 54.620 44.093 43.593 277 HG13 ILE 36 1HG1 ILE 36 53.539 44.795 42.384 278 HG21 ILE 36 1HG2 ILE 36 55.661 42.943 41.917 279 HG22 ILE 36 2HG2 ILE 36 54.941 41.502 41.219 280 HG23 ILE 36 3HG2 ILE 36 54.514 43.084 40.553 281 HD11 ILE 36 HD1 ILE 36 52.850 45.174 44.759 282 HD12 ILE 36 HD2 ILE 36 51.608 44.348 43.813 283 HD13 ILE 36 HD3 ILE 36 52.630 43.424 44.945 284 H TYR 37 H TYR 37 51.607 43.115 39.285 285 HA TYR 37 HA TYR 37 51.935 40.445 38.121 286 HB2 TYR 37 HB2 TYR 37 50.029 41.709 37.524 287 HB3 TYR 37 HB1 TYR 37 50.983 43.079 37.023 288 HD1 TYR 37 HD1 TYR 37 49.714 39.743 36.112 289 HD2 TYR 37 HD2 TYR 37 52.359 42.938 34.938 290 HE1 TYR 37 HE1 TYR 37 49.806 38.832 33.810 291 HE2 TYR 37 HE2 TYR 37 52.370 42.075 32.606 292 HH TYR 37 HH TYR 37 51.553 40.467 31.159 293 H GLY 38 H GLY 38 53.243 39.838 36.520 294 HA2 GLY 38 HA2 GLY 38 55.885 41.172 36.404 295 HA3 GLY 38 HA1 GLY 38 55.496 39.515 35.949 296 H GLY 39 H GLY 39 54.374 39.139 33.929 297 HA2 GLY 39 HA2 GLY 39 53.821 40.506 31.755 298 HA3 GLY 39 HA1 GLY 39 55.518 40.967 31.865 299 H CYS 40 H CYS 40 55.004 37.723 32.905 300 HA CYS 40 HA CYS 40 56.027 36.704 30.287 301 HB2 CYS 40 HB2 CYS 40 56.336 35.633 33.108 302 HB3 CYS 40 HB1 CYS 40 56.845 34.792 31.667 303 H GLY 41 H GLY 41 53.112 36.873 31.928 304 HA2 GLY 41 HA2 GLY 41 51.636 35.061 30.521 305 HA3 GLY 41 HA1 GLY 41 52.288 34.107 31.872 306 H GLY 42 H GLY 42 50.158 33.852 32.649 307 HA2 GLY 42 HA2 GLY 42 49.347 34.749 34.868 308 HA3 GLY 42 HA1 GLY 42 48.880 36.208 33.973 309 H ASN 43 H ASN 43 47.157 34.492 35.445 310 HA ASN 43 HA ASN 43 45.701 32.835 33.517 311 HB2 ASN 43 HB2 ASN 43 44.360 32.165 35.419 312 HB3 ASN 43 HB1 ASN 43 46.069 32.119 35.854 313 HD21 ASN 43 1HD2 ASN 43 44.764 32.072 38.002 314 HD22 ASN 43 2HD2 ASN 43 44.633 33.608 38.767 315 H ALA 44 H ALA 44 43.190 33.060 33.548 316 HA ALA 44 HA ALA 44 42.447 35.646 32.511 317 HB1 ALA 44 HB1 ALA 44 40.194 34.612 32.365 318 HB2 ALA 44 HB2 ALA 44 41.452 33.553 31.698 319 HB3 ALA 44 HB3 ALA 44 40.769 33.224 33.310 320 H ASN 45 H ASN 45 43.102 35.110 35.648 321 HA ASN 45 HA ASN 45 40.840 36.698 36.767 322 HB2 ASN 45 HB2 ASN 45 41.561 34.391 37.751 323 HB3 ASN 45 HB1 ASN 45 42.965 35.245 38.367 324 HD21 ASN 45 1HD2 ASN 45 41.447 34.033 40.154 325 HD22 ASN 45 2HD2 ASN 45 40.488 35.176 41.061 326 H ASN 46 H ASN 46 42.678 37.912 35.000 327 HA ASN 46 HA ASN 46 44.534 39.439 36.741 328 HB2 ASN 46 HB2 ASN 46 45.617 39.994 34.548 329 HB3 ASN 46 HB1 ASN 46 45.676 38.299 35.015 330 HD21 ASN 46 1HD2 ASN 46 46.292 38.300 32.626 331 HD22 ASN 46 2HD2 ASN 46 44.926 38.012 31.555 332 H PHE 47 H PHE 47 43.253 40.990 37.633 333 HA PHE 47 HA PHE 47 41.728 42.734 35.772 334 HB2 PHE 47 HB2 PHE 47 41.599 42.821 38.761 335 HB3 PHE 47 HB1 PHE 47 40.449 43.464 37.612 336 HD1 PHE 47 HD1 PHE 47 40.298 40.826 35.857 337 HD2 PHE 47 HD2 PHE 47 40.193 41.596 40.089 338 HE1 PHE 47 HE1 PHE 47 39.040 38.722 36.213 339 HE2 PHE 47 HE2 PHE 47 38.734 39.670 40.384 340 HZ PHE 47 HZ PHE 47 38.187 38.149 38.487 341 H GLU 48 H GLU 48 41.924 44.976 35.851 342 HA GLU 48 HA GLU 48 44.546 45.999 36.659 343 HB2 GLU 48 HB2 GLU 48 42.151 47.423 35.419 344 HB3 GLU 48 HB1 GLU 48 43.828 48.004 35.518 345 HG2 GLU 48 HG2 GLU 48 44.493 45.865 34.250 346 HG3 GLU 48 HG1 GLU 48 42.776 45.632 33.897 347 H THR 49 H THR 49 41.271 46.282 37.927 348 HA THR 49 HA THR 49 42.308 47.531 40.378 349 HB THR 49 HB THR 49 40.657 49.362 40.397 350 HG1 THR 49 HG1 THR 49 40.466 49.024 37.629 351 HG21 THR 49 1HG2 THR 49 41.811 50.966 39.074 352 HG22 THR 49 2HG2 THR 49 43.016 49.839 39.738 353 HG23 THR 49 3HG2 THR 49 42.521 49.710 38.038 354 H ARG 50 H ARG 50 40.642 47.787 42.042 355 HA ARG 50 HA ARG 50 38.843 45.641 42.447 356 HB2 ARG 50 HB2 ARG 50 38.444 48.458 43.499 357 HB3 ARG 50 HB1 ARG 50 37.851 46.962 44.222 358 HG2 ARG 50 HG2 ARG 50 40.184 46.270 44.715 359 HG3 ARG 50 HG1 ARG 50 40.787 47.777 44.002 360 HD2 ARG 50 HD2 ARG 50 38.972 47.579 46.439 361 HD3 ARG 50 HD1 ARG 50 40.710 47.910 46.441 362 HE ARG 50 HE ARG 50 39.283 49.806 44.779 363 HH11 ARG 50 1HH1 ARG 50 40.268 49.223 48.077 364 HH12 ARG 50 2HH1 ARG 50 40.057 50.886 48.531 365 HH21 ARG 50 1HH2 ARG 50 39.069 51.941 45.418 366 HH22 ARG 50 2HH2 ARG 50 39.392 52.368 47.065 367 H ALA 51 H ALA 51 38.301 48.539 40.498 368 HA ALA 51 HA ALA 51 35.392 48.373 40.542 369 HB1 ALA 51 HB1 ALA 51 35.548 49.956 38.657 370 HB2 ALA 51 HB2 ALA 51 36.561 50.475 40.015 371 HB3 ALA 51 HB3 ALA 51 37.309 49.725 38.594 372 H GLU 52 H GLU 52 37.964 47.336 38.249 373 HA GLU 52 HA GLU 52 36.237 45.909 36.478 374 HB2 GLU 52 HB2 GLU 52 38.425 46.635 35.806 375 HB3 GLU 52 HB1 GLU 52 39.207 45.641 37.058 376 HG2 GLU 52 HG2 GLU 52 38.472 43.587 36.025 377 HG3 GLU 52 HG1 GLU 52 37.350 44.461 34.954 378 H CYS 53 H CYS 53 38.147 44.747 39.344 379 HA CYS 53 HA CYS 53 37.563 42.071 39.108 380 HB2 CYS 53 HB2 CYS 53 38.169 41.816 41.302 381 HB3 CYS 53 HB1 CYS 53 38.860 43.397 40.989 382 H ARG 54 H ARG 54 35.316 44.528 40.158 383 HA ARG 54 HA ARG 54 33.185 42.622 40.851 384 HB2 ARG 54 HB2 ARG 54 33.069 45.627 40.362 385 HB3 ARG 54 HB1 ARG 54 31.753 44.626 40.998 386 HG2 ARG 54 HG2 ARG 54 33.081 44.072 42.997 387 HG3 ARG 54 HG1 ARG 54 34.457 44.974 42.352 388 HD2 ARG 54 HD2 ARG 54 33.395 46.373 43.936 389 HD3 ARG 54 HD1 ARG 54 33.075 47.046 42.329 390 HE ARG 54 HE ARG 54 30.984 45.233 43.261 391 HH11 ARG 54 1HH1 ARG 54 32.083 48.513 43.702 392 HH12 ARG 54 2HH1 ARG 54 30.519 49.079 44.223 393 HH21 ARG 54 1HH2 ARG 54 28.997 46.008 43.978 394 HH22 ARG 54 2HH2 ARG 54 28.826 47.681 44.352 395 H HIS 55 H HIS 55 33.930 44.700 38.003 396 HA HIS 55 HA HIS 55 31.499 43.872 36.584 397 HB2 HIS 55 HB2 HIS 55 34.062 45.309 35.768 398 HB3 HIS 55 HB1 HIS 55 32.848 44.821 34.599 399 HD1 HIS 55 HD1 HIS 55 31.239 46.667 34.047 400 HD2 HIS 55 HD2 HIS 55 32.807 46.923 37.929 401 HE1 HIS 55 HE1 HIS 55 30.373 48.891 35.034 402 HE2 HIS 55 HE2 HIS 55 31.376 49.049 37.405 403 H THR 56 H THR 56 34.706 42.463 36.876 404 HA THR 56 HA THR 56 34.153 40.510 34.783 405 HB THR 56 HB THR 56 36.537 40.732 36.668 406 HG1 THR 56 HG1 THR 56 37.375 41.869 34.809 407 HG21 THR 56 1HG2 THR 56 37.688 39.699 34.640 408 HG22 THR 56 2HG2 THR 56 36.562 38.611 35.478 409 HG23 THR 56 3HG2 THR 56 36.092 39.393 33.959 410 H CYS 57 H CYS 57 34.014 40.533 38.333 411 HA CYS 57 HA CYS 57 33.151 37.676 38.188 412 HB2 CYS 57 HB2 CYS 57 35.514 38.330 39.188 413 HB3 CYS 57 HB1 CYS 57 34.569 38.678 40.632 414 H VAL 58 H VAL 58 32.818 40.653 40.149 415 HA VAL 58 HA VAL 58 30.372 39.481 41.403 416 HB VAL 58 HB VAL 58 31.594 42.116 42.252 417 HG11 VAL 58 1HG1 VAL 58 30.552 41.541 44.395 418 HG12 VAL 58 2HG1 VAL 58 29.306 41.412 43.142 419 HG13 VAL 58 3HG1 VAL 58 30.073 39.962 43.778 420 HG21 VAL 58 1HG2 VAL 58 32.817 40.880 44.027 421 HG22 VAL 58 2HG2 VAL 58 32.448 39.360 43.190 422 HG23 VAL 58 3HG2 VAL 58 33.473 40.589 42.411 423 H ALA 59 H ALA 59 29.843 42.611 41.682 424 HA ALA 59 HA ALA 59 28.366 44.094 40.844 425 HB1 ALA 59 HB1 ALA 59 28.658 44.804 38.518 426 HB2 ALA 59 HB2 ALA 59 30.228 44.470 39.246 427 HB3 ALA 59 HB3 ALA 59 29.498 43.295 38.145 428 H SER 60 H SER 60 26.811 44.244 38.639 429 HA SER 60 HA SER 60 25.035 41.894 38.606 430 HB2 SER 60 HB2 SER 60 23.937 44.672 39.137 431 HB3 SER 60 HB1 SER 60 23.066 43.128 39.180 432 HG SER 60 HG SER 60 24.375 42.593 41.028 433 H ARG 61 H ARG 61 23.030 43.398 37.127 434 HA ARG 61 HA ARG 61 22.502 43.984 34.970 435 HB2 ARG 61 HB2 ARG 61 25.255 45.299 34.844 436 HB3 ARG 61 HB1 ARG 61 23.926 45.511 33.709 437 HG2 ARG 61 HG2 ARG 61 22.556 46.570 35.465 438 HG3 ARG 61 HG1 ARG 61 23.874 46.348 36.641 439 HD2 ARG 61 HD2 ARG 61 25.380 47.714 35.252 440 HD3 ARG 61 HD1 ARG 61 24.132 47.875 34.017 441 HE ARG 61 HE ARG 61 22.820 49.261 35.460 442 HH11 ARG 61 1HH1 ARG 61 26.010 48.712 36.784 443 HH12 ARG 61 2HH1 ARG 61 25.929 50.151 37.780 444 HH21 ARG 61 1HH2 ARG 61 22.786 51.053 36.753 445 HH22 ARG 61 2HH2 ARG 61 24.141 51.431 37.763 446 H LYS 62 H LYS 62 22.366 41.897 34.299 447 HA LYS 62 HA LYS 62 22.680 40.105 32.897 448 HB2 LYS 62 HB2 LYS 62 24.844 41.785 31.547 449 HB3 LYS 62 HB1 LYS 62 24.254 40.227 31.020 450 HG2 LYS 62 HG2 LYS 62 23.179 41.768 29.662 451 HG3 LYS 62 HG1 LYS 62 21.939 41.201 30.784 452 HD2 LYS 62 HD2 LYS 62 22.123 43.315 32.075 453 HD3 LYS 62 HD1 LYS 62 23.443 43.862 31.023 454 HE2 LYS 62 HE2 LYS 62 20.579 43.237 30.162 455 HE3 LYS 62 HE1 LYS 62 21.178 44.854 30.508 456 HZ1 LYS 62 HZ1 LYS 62 21.217 44.392 28.132 457 HZ2 LYS 62 HZ2 LYS 62 22.755 44.596 28.664 458 HZ3 LYS 62 HZ3 LYS 62 22.184 43.089 28.347 459 H GLY 63 H GLY 63 23.215 38.653 34.402 460 HA2 GLY 63 HA2 GLY 63 25.843 38.429 35.591 461 HA3 GLY 63 HA1 GLY 63 24.509 37.283 35.759 462 H GLY 64 H GLY 64 24.413 35.510 34.405 463 HA2 GLY 64 HA2 GLY 64 24.875 34.452 32.256 464 HA3 GLY 64 HA1 GLY 64 26.450 35.221 32.233 465 HA PRO 65 HA PRO 65 26.424 31.480 35.369 466 HB2 PRO 65 HB1 PRO 65 25.320 29.194 34.358 467 HB3 PRO 65 HB2 PRO 65 24.340 30.476 35.133 468 HG2 PRO 65 HG1 PRO 65 24.880 30.101 32.158 469 HG3 PRO 65 HG2 PRO 65 23.287 30.259 32.972 470 HD2 PRO 65 HD1 PRO 65 24.518 32.396 31.865 471 HD3 PRO 65 HD2 PRO 65 23.653 32.556 33.421 472 H ARG 66 H ARG 66 27.856 32.243 32.735 473 HA ARG 66 HA ARG 66 29.523 31.650 31.335 474 HB2 ARG 66 HB2 ARG 66 30.539 31.338 33.651 475 HB3 ARG 66 HB1 ARG 66 30.280 29.614 33.477 476 HG2 ARG 66 HG2 ARG 66 32.597 30.284 33.046 477 HG3 ARG 66 HG1 ARG 66 31.875 29.447 31.692 478 HD2 ARG 66 HD2 ARG 66 33.266 31.348 30.978 479 HD3 ARG 66 HD1 ARG 66 31.586 31.523 30.462 480 HE ARG 66 HE ARG 66 31.992 32.810 33.001 481 HH11 ARG 66 1HH1 ARG 66 32.468 33.350 29.567 482 HH12 ARG 66 2HH1 ARG 66 32.468 35.082 29.750 483 HH21 ARG 66 1HH2 ARG 66 32.049 35.042 33.160 484 HH22 ARG 66 2HH2 ARG 66 32.277 36.000 31.741 485 H ARG 67 H ARG 67 30.547 29.933 30.004 486 HA ARG 67 HA ARG 67 28.561 27.992 29.037 487 HB2 ARG 67 HB2 ARG 67 30.238 27.426 27.337 488 HB3 ARG 67 HB1 ARG 67 29.868 29.144 27.340 489 HG2 ARG 67 HG2 ARG 67 31.952 29.657 28.520 490 HG3 ARG 67 HG1 ARG 67 32.322 27.941 28.718 491 HD2 ARG 67 HD2 ARG 67 32.031 29.304 26.014 492 HD3 ARG 67 HD1 ARG 67 33.570 29.101 26.870 493 HE ARG 67 HE ARG 67 32.225 26.571 26.690 494 HH11 ARG 67 1HH1 ARG 67 34.247 28.725 24.795 495 HH12 ARG 67 2HH1 ARG 67 34.808 27.428 23.779 496 HH21 ARG 67 1HH2 ARG 67 32.948 25.002 25.347 497 HH22 ARG 67 2HH2 ARG 67 34.049 25.366 24.056 498 HA PRO 68 HA PRO 68 30.055 24.543 31.444 499 HB2 PRO 68 HB1 PRO 68 29.950 22.998 28.858 500 HB3 PRO 68 HB2 PRO 68 29.279 22.559 30.451 501 HG2 PRO 68 HG1 PRO 68 27.648 23.481 28.488 502 HG3 PRO 68 HG2 PRO 68 27.451 24.076 30.172 503 HD2 PRO 68 HD1 PRO 68 28.889 25.423 27.883 504 HD3 PRO 68 HD2 PRO 68 27.712 26.107 29.043 Start of MODEL 9 1 H PCA 1 H PGA 1 28.411 27.512 39.734 2 HA PCA 1 HA PGA 1 29.029 29.728 40.844 3 HB2 PCA 1 HB1 PGA 1 31.198 30.677 39.414 4 HB3 PCA 1 HB2 PGA 1 31.334 29.543 40.799 5 HG2 PCA 1 HG1 PGA 1 31.452 28.902 37.855 6 HG3 PCA 1 HG2 PGA 1 32.390 28.175 39.212 7 H ASP 2 H ASP 2 27.695 31.396 40.232 8 HA ASP 2 HA ASP 2 26.575 31.792 37.649 9 HB2 ASP 2 HB2 ASP 2 25.643 32.642 39.794 10 HB3 ASP 2 HB1 ASP 2 26.987 33.767 39.941 11 H ARG 3 H ARG 3 29.642 32.637 38.830 12 HA ARG 3 HA ARG 3 30.160 34.702 36.725 13 HB2 ARG 3 HB2 ARG 3 31.752 34.425 39.296 14 HB3 ARG 3 HB1 ARG 3 31.601 35.822 38.230 15 HG2 ARG 3 HG2 ARG 3 29.547 34.875 40.196 16 HG3 ARG 3 HG1 ARG 3 30.515 36.338 40.262 17 HD2 ARG 3 HD2 ARG 3 28.356 35.628 38.256 18 HD3 ARG 3 HD1 ARG 3 28.205 36.832 39.542 19 HE ARG 3 HE ARG 3 30.191 37.944 38.177 20 HH11 ARG 3 1HH1 ARG 3 27.159 36.573 37.089 21 HH12 ARG 3 2HH1 ARG 3 27.211 37.390 35.555 22 HH21 ARG 3 1HH2 ARG 3 30.235 38.982 36.162 23 HH22 ARG 3 2HH2 ARG 3 28.831 38.923 35.147 24 HA PRO 4 HA PRO 4 33.118 32.093 34.947 25 HB2 PRO 4 HB1 PRO 4 35.640 33.210 34.949 26 HB3 PRO 4 HB2 PRO 4 34.298 33.739 33.883 27 HG2 PRO 4 HG1 PRO 4 35.290 34.983 36.433 28 HG3 PRO 4 HG2 PRO 4 34.738 35.793 34.941 29 HD2 PRO 4 HD1 PRO 4 33.233 35.486 37.168 30 HD3 PRO 4 HD2 PRO 4 32.488 35.581 35.536 31 H LYS 5 H LYS 5 34.501 30.307 35.376 32 HA LYS 5 HA LYS 5 35.010 29.770 38.177 33 HB2 LYS 5 HB2 LYS 5 35.692 27.621 37.536 34 HB3 LYS 5 HB1 LYS 5 34.318 28.042 36.522 35 HG2 LYS 5 HG2 LYS 5 35.896 28.644 34.668 36 HG3 LYS 5 HG1 LYS 5 37.261 28.143 35.664 37 HD2 LYS 5 HD2 LYS 5 34.981 26.348 34.769 38 HD3 LYS 5 HD1 LYS 5 36.577 26.406 34.040 39 HE2 LYS 5 HE2 LYS 5 35.952 25.584 36.920 40 HE3 LYS 5 HE1 LYS 5 36.246 24.478 35.577 41 HZ1 LYS 5 HZ1 LYS 5 38.247 24.788 36.880 42 HZ2 LYS 5 HZ2 LYS 5 38.487 25.397 35.383 43 HZ3 LYS 5 HZ3 LYS 5 38.227 26.411 36.652 44 H PHE 6 H PHE 6 37.049 31.146 35.681 45 HA PHE 6 HA PHE 6 39.574 30.483 36.919 46 HB2 PHE 6 HB2 PHE 6 40.499 32.277 35.536 47 HB3 PHE 6 HB1 PHE 6 39.521 31.149 34.614 48 HD1 PHE 6 HD1 PHE 6 39.286 34.485 36.390 49 HD2 PHE 6 HD2 PHE 6 38.064 32.077 33.015 50 HE1 PHE 6 HE1 PHE 6 38.067 36.400 35.463 51 HE2 PHE 6 HE2 PHE 6 36.876 34.031 32.068 52 HZ PHE 6 HZ PHE 6 36.858 36.193 33.291 53 H CYS 7 H CYS 7 37.070 32.734 37.781 54 HA CYS 7 HA CYS 7 38.444 34.550 39.404 55 HB2 CYS 7 HB2 CYS 7 35.741 33.444 39.202 56 HB3 CYS 7 HB1 CYS 7 36.110 34.027 40.739 57 H TYR 8 H TYR 8 38.040 31.120 39.947 58 HA TYR 8 HA TYR 8 38.666 31.307 42.834 59 HB2 TYR 8 HB2 TYR 8 38.103 28.960 40.980 60 HB3 TYR 8 HB1 TYR 8 38.453 28.820 42.696 61 HD1 TYR 8 HD1 TYR 8 36.011 30.457 40.320 62 HD2 TYR 8 HD2 TYR 8 36.717 28.877 44.275 63 HE1 TYR 8 HE1 TYR 8 33.622 30.784 40.876 64 HE2 TYR 8 HE2 TYR 8 34.309 29.163 44.812 65 HH TYR 8 HH TYR 8 32.264 29.814 44.028 66 H LEU 9 H LEU 9 40.482 31.277 39.964 67 HA LEU 9 HA LEU 9 42.651 29.602 40.916 68 HB2 LEU 9 HB2 LEU 9 42.523 31.683 38.701 69 HB3 LEU 9 HB1 LEU 9 43.891 30.622 38.999 70 HG LEU 9 HG LEU 9 41.109 29.559 38.351 71 HD11 LEU 9 1HD1 LEU 9 41.876 29.254 36.075 72 HD12 LEU 9 2HD1 LEU 9 42.035 30.963 36.513 73 HD13 LEU 9 3HD1 LEU 9 43.459 29.929 36.472 74 HD21 LEU 9 1HD2 LEU 9 42.369 27.501 37.753 75 HD22 LEU 9 2HD2 LEU 9 43.876 28.271 38.283 76 HD23 LEU 9 3HD2 LEU 9 42.590 27.921 39.460 77 HA PRO 10 HA PRO 10 44.014 32.812 43.844 78 HB2 PRO 10 HB1 PRO 10 46.599 31.823 44.216 79 HB3 PRO 10 HB2 PRO 10 45.136 31.321 45.110 80 HG2 PRO 10 HG1 PRO 10 46.420 30.001 42.720 81 HG3 PRO 10 HG2 PRO 10 45.761 29.231 44.193 82 HD2 PRO 10 HD1 PRO 10 44.376 29.280 41.912 83 HD3 PRO 10 HD2 PRO 10 43.532 29.545 43.465 84 H ASP 11 H ASP 11 45.800 34.476 43.950 85 HA ASP 11 HA ASP 11 46.028 35.752 41.413 86 HB2 ASP 11 HB2 ASP 11 47.566 37.288 42.554 87 HB3 ASP 11 HB1 ASP 11 46.035 37.095 43.392 88 H ASP 12 H ASP 12 47.355 35.404 39.806 89 HA ASP 12 HA ASP 12 49.946 34.009 40.286 90 HB2 ASP 12 HB2 ASP 12 48.218 32.401 39.569 91 HB3 ASP 12 HB1 ASP 12 48.018 33.311 38.070 92 HA PRO 13 HA PRO 13 50.707 37.924 37.896 93 HB2 PRO 13 HB1 PRO 13 53.309 38.134 38.981 94 HB3 PRO 13 HB2 PRO 13 51.837 38.903 39.612 95 HG2 PRO 13 HG1 PRO 13 53.085 36.358 40.557 96 HG3 PRO 13 HG2 PRO 13 52.449 37.729 41.523 97 HD2 PRO 13 HD1 PRO 13 50.986 35.525 41.154 98 HD3 PRO 13 HD2 PRO 13 50.199 37.123 41.051 99 H GLY 14 H GLY 14 52.138 34.809 38.141 100 HA2 GLY 14 HA2 GLY 14 52.993 33.564 36.369 101 HA3 GLY 14 HA1 GLY 14 53.324 35.058 35.481 102 H VAL 15 H VAL 15 55.286 33.778 35.075 103 HA VAL 15 HA VAL 15 57.269 33.581 37.180 104 HB VAL 15 HB VAL 15 58.765 32.755 35.400 105 HG11 VAL 15 1HG1 VAL 15 57.509 30.744 34.873 106 HG12 VAL 15 2HG1 VAL 15 57.180 31.233 36.540 107 HG13 VAL 15 3HG1 VAL 15 55.968 31.533 35.269 108 HG21 VAL 15 1HG2 VAL 15 57.941 32.423 33.121 109 HG22 VAL 15 2HG2 VAL 15 56.451 33.301 33.486 110 HG23 VAL 15 3HG2 VAL 15 58.022 34.140 33.505 111 H CYS 16 H CYS 16 56.468 36.235 35.230 112 HA CYS 16 HA CYS 16 59.139 37.326 34.849 113 HB2 CYS 16 HB2 CYS 16 56.372 38.167 34.274 114 HB3 CYS 16 HB1 CYS 16 57.442 39.485 34.721 115 H LYS 17 H LYS 17 60.149 38.940 35.922 116 HA LYS 17 HA LYS 17 59.335 39.398 38.761 117 HB2 LYS 17 HB2 LYS 17 62.051 39.558 37.399 118 HB3 LYS 17 HB1 LYS 17 61.760 39.800 39.128 119 HG2 LYS 17 HG2 LYS 17 61.075 37.522 39.450 120 HG3 LYS 17 HG1 LYS 17 61.047 37.191 37.709 121 HD2 LYS 17 HD2 LYS 17 63.467 37.601 37.545 122 HD3 LYS 17 HD1 LYS 17 63.555 37.902 39.290 123 HE2 LYS 17 HE2 LYS 17 62.608 35.317 37.960 124 HE3 LYS 17 HE1 LYS 17 64.229 35.581 38.606 125 HZ1 LYS 17 HZ1 LYS 17 62.834 34.428 40.201 126 HZ2 LYS 17 HZ2 LYS 17 63.225 35.913 40.800 127 HZ3 LYS 17 HZ3 LYS 17 61.723 35.630 40.180 128 H ALA 18 H ALA 18 58.277 41.020 36.541 129 HA ALA 18 HA ALA 18 59.593 43.642 36.825 130 HB1 ALA 18 HB1 ALA 18 58.081 44.385 35.121 131 HB2 ALA 18 HB2 ALA 18 58.675 42.793 34.633 132 HB3 ALA 18 HB3 ALA 18 57.051 42.974 35.331 133 H HIS 19 H HIS 19 57.074 45.173 36.735 134 HA HIS 19 HA HIS 19 55.717 44.526 39.222 135 HB2 HIS 19 HB2 HIS 19 57.835 45.673 39.936 136 HB3 HIS 19 HB1 HIS 19 57.313 47.111 39.091 137 HD1 HIS 19 HD1 HIS 19 57.599 46.135 42.401 138 HD2 HIS 19 HD2 HIS 19 54.412 47.647 40.105 139 HE1 HIS 19 HE1 HIS 19 55.969 47.247 44.072 140 HE2 HIS 19 HE2 HIS 19 54.003 48.122 42.651 141 H ILE 20 H ILE 20 53.731 44.579 38.235 142 HA ILE 20 HA ILE 20 52.801 47.275 37.320 143 HB ILE 20 HB ILE 20 51.852 44.609 36.232 144 HG12 ILE 20 2HG1 ILE 20 53.982 46.496 35.203 145 HG13 ILE 20 1HG1 ILE 20 54.118 44.767 35.521 146 HG21 ILE 20 1HG2 ILE 20 50.708 45.974 34.570 147 HG22 ILE 20 2HG2 ILE 20 50.233 46.521 36.168 148 HG23 ILE 20 3HG2 ILE 20 51.427 47.452 35.244 149 HD11 ILE 20 HD1 ILE 20 54.098 45.041 33.174 150 HD12 ILE 20 HD2 ILE 20 52.507 44.389 33.577 151 HD13 ILE 20 HD3 ILE 20 52.694 46.116 33.214 152 HA PRO 21 HA PRO 21 49.985 46.632 40.821 153 HB2 PRO 21 HB1 PRO 21 48.427 48.809 39.426 154 HB3 PRO 21 HB2 PRO 21 48.867 48.669 41.156 155 HG2 PRO 21 HG1 PRO 21 50.214 50.361 39.506 156 HG3 PRO 21 HG2 PRO 21 51.099 49.378 40.720 157 HD2 PRO 21 HD1 PRO 21 50.768 48.857 37.751 158 HD3 PRO 21 HD2 PRO 21 52.232 48.736 38.776 159 H ARG 22 H ARG 22 48.678 44.858 40.733 160 HA ARG 22 HA ARG 22 46.617 44.613 38.582 161 HB2 ARG 22 HB2 ARG 22 49.001 43.358 38.334 162 HB3 ARG 22 HB1 ARG 22 48.268 42.255 39.478 163 HG2 ARG 22 HG2 ARG 22 47.754 41.281 37.420 164 HG3 ARG 22 HG1 ARG 22 46.285 42.118 37.777 165 HD2 ARG 22 HD2 ARG 22 48.385 42.550 35.684 166 HD3 ARG 22 HD1 ARG 22 46.620 42.647 35.547 167 HE ARG 22 HE ARG 22 47.949 44.819 37.063 168 HH11 ARG 22 1HH1 ARG 22 46.296 43.950 34.116 169 HH12 ARG 22 2HH1 ARG 22 46.272 45.567 33.527 170 HH21 ARG 22 1HH2 ARG 22 47.750 46.833 36.380 171 HH22 ARG 22 2HH2 ARG 22 47.165 47.208 34.764 172 H PHE 23 H PHE 23 44.972 43.094 39.078 173 HA PHE 23 HA PHE 23 44.657 42.603 41.979 174 HB2 PHE 23 HB2 PHE 23 42.810 44.162 40.146 175 HB3 PHE 23 HB1 PHE 23 42.241 43.402 41.613 176 HD1 PHE 23 HD1 PHE 23 42.304 44.577 43.662 177 HD2 PHE 23 HD2 PHE 23 44.877 45.813 40.445 178 HE1 PHE 23 HE1 PHE 23 43.003 46.601 44.964 179 HE2 PHE 23 HE2 PHE 23 45.498 47.845 41.703 180 HZ PHE 23 HZ PHE 23 44.532 48.259 43.945 181 H TYR 24 H TYR 24 43.020 41.027 42.528 182 HA TYR 24 HA TYR 24 42.073 39.306 40.320 183 HB2 TYR 24 HB2 TYR 24 43.596 37.701 40.518 184 HB3 TYR 24 HB1 TYR 24 44.505 38.696 41.622 185 HD1 TYR 24 HD1 TYR 24 43.930 38.556 44.065 186 HD2 TYR 24 HD2 TYR 24 42.943 35.579 41.226 187 HE1 TYR 24 HE1 TYR 24 43.482 36.923 45.955 188 HE2 TYR 24 HE2 TYR 24 42.258 34.023 43.051 189 HH TYR 24 HH TYR 24 42.286 33.653 45.242 190 H TYR 25 H TYR 25 40.296 37.930 40.875 191 HA TYR 25 HA TYR 25 38.758 39.015 43.123 192 HB2 TYR 25 HB2 TYR 25 37.514 38.502 41.062 193 HB3 TYR 25 HB1 TYR 25 38.051 36.844 41.145 194 HD1 TYR 25 HD1 TYR 25 36.403 39.450 43.385 195 HD2 TYR 25 HD2 TYR 25 36.511 35.419 41.993 196 HE1 TYR 25 HE1 TYR 25 34.396 38.899 44.777 197 HE2 TYR 25 HE2 TYR 25 34.309 34.955 43.051 198 HH TYR 25 HH TYR 25 32.713 35.754 44.416 199 H ASN 26 H ASN 26 38.162 38.031 44.969 200 HA ASN 26 HA ASN 26 39.559 35.488 45.730 201 HB2 ASN 26 HB2 ASN 26 38.740 37.899 47.376 202 HB3 ASN 26 HB1 ASN 26 39.380 36.394 48.049 203 HD21 ASN 26 1HD2 ASN 26 40.550 38.390 45.266 204 HD22 ASN 26 2HD2 ASN 26 42.089 38.627 45.980 205 HA PRO 27 HA PRO 27 34.925 34.774 45.722 206 HB2 PRO 27 HB1 PRO 27 35.144 31.996 45.356 207 HB3 PRO 27 HB2 PRO 27 34.873 33.185 44.072 208 HG2 PRO 27 HG1 PRO 27 37.408 31.834 44.887 209 HG3 PRO 27 HG2 PRO 27 36.872 32.389 43.277 210 HD2 PRO 27 HD1 PRO 27 38.742 33.710 44.813 211 HD3 PRO 27 HD2 PRO 27 37.674 34.545 43.656 212 H ALA 28 H ALA 28 37.560 33.118 47.407 213 HA ALA 28 HA ALA 28 36.130 31.925 49.523 214 HB1 ALA 28 HB1 ALA 28 38.309 31.989 50.664 215 HB2 ALA 28 HB2 ALA 28 38.518 31.539 48.969 216 HB3 ALA 28 HB3 ALA 28 38.913 33.192 49.511 217 H SER 29 H SER 29 36.545 35.345 48.961 218 HA SER 29 HA SER 29 35.172 35.853 51.551 219 HB2 SER 29 HB2 SER 29 37.372 37.707 50.716 220 HB3 SER 29 HB1 SER 29 36.549 37.602 52.275 221 HG SER 29 HG SER 29 37.607 35.443 52.363 222 H ASN 30 H ASN 30 34.634 35.939 48.496 223 HA ASN 30 HA ASN 30 33.716 37.267 46.926 224 HB2 ASN 30 HB2 ASN 30 31.968 36.914 48.762 225 HB3 ASN 30 HB1 ASN 30 32.275 38.585 49.239 226 HD21 ASN 30 1HD2 ASN 30 31.078 36.508 46.623 227 HD22 ASN 30 2HD2 ASN 30 30.141 37.809 45.875 228 H LYS 31 H LYS 31 36.252 38.354 47.902 229 HA LYS 31 HA LYS 31 35.823 41.298 47.430 230 HB2 LYS 31 HB2 LYS 31 37.376 41.884 49.092 231 HB3 LYS 31 HB1 LYS 31 36.342 40.654 49.816 232 HG2 LYS 31 HG2 LYS 31 38.153 38.946 49.219 233 HG3 LYS 31 HG1 LYS 31 39.194 40.297 48.762 234 HD2 LYS 31 HD2 LYS 31 38.896 41.252 51.063 235 HD3 LYS 31 HD1 LYS 31 37.994 39.811 51.521 236 HE2 LYS 31 HE2 LYS 31 40.891 39.949 50.579 237 HE3 LYS 31 HE1 LYS 31 40.343 39.677 52.237 238 HZ1 LYS 31 HZ1 LYS 31 40.908 37.567 51.319 239 HZ2 LYS 31 HZ2 LYS 31 39.292 37.563 51.413 240 HZ3 LYS 31 HZ3 LYS 31 40.030 37.793 49.966 241 H CYS 32 H CYS 32 38.422 42.139 47.277 242 HA CYS 32 HA CYS 32 39.637 40.576 45.084 243 HB2 CYS 32 HB2 CYS 32 38.234 42.504 44.227 244 HB3 CYS 32 HB1 CYS 32 39.420 43.594 44.970 245 H LYS 33 H LYS 33 41.912 41.012 44.812 246 HA LYS 33 HA LYS 33 43.312 42.228 47.182 247 HB2 LYS 33 HB2 LYS 33 43.762 39.645 45.716 248 HB3 LYS 33 HB1 LYS 33 45.150 40.443 46.430 249 HG2 LYS 33 HG2 LYS 33 42.670 39.854 48.081 250 HG3 LYS 33 HG1 LYS 33 43.880 38.595 47.698 251 HD2 LYS 33 HD2 LYS 33 45.665 40.044 48.684 252 HD3 LYS 33 HD1 LYS 33 44.432 41.226 49.139 253 HE2 LYS 33 HE2 LYS 33 44.985 39.801 51.037 254 HE3 LYS 33 HE1 LYS 33 43.306 39.533 50.539 255 HZ1 LYS 33 HZ1 LYS 33 44.560 37.416 50.945 256 HZ2 LYS 33 HZ2 LYS 33 44.053 37.512 49.364 257 HZ3 LYS 33 HZ3 LYS 33 45.606 37.806 49.755 258 H GLU 34 H GLU 34 45.445 42.957 46.731 259 HA GLU 34 HA GLU 34 45.864 43.994 43.973 260 HB2 GLU 34 HB2 GLU 34 45.349 45.669 45.753 261 HB3 GLU 34 HB1 GLU 34 46.738 45.085 46.674 262 HG2 GLU 34 HG2 GLU 34 48.247 45.737 44.804 263 HG3 GLU 34 HG1 GLU 34 46.858 46.311 43.884 264 H PHE 35 H PHE 35 47.442 42.851 42.991 265 HA PHE 35 HA PHE 35 49.721 41.832 44.583 266 HB2 PHE 35 HB2 PHE 35 49.770 39.758 43.548 267 HB3 PHE 35 HB1 PHE 35 48.088 39.968 43.972 268 HD1 PHE 35 HD1 PHE 35 46.389 39.968 42.209 269 HD2 PHE 35 HD2 PHE 35 50.560 40.011 41.210 270 HE1 PHE 35 HE1 PHE 35 45.839 39.361 39.843 271 HE2 PHE 35 HE2 PHE 35 49.991 39.584 38.836 272 HZ PHE 35 HZ PHE 35 47.649 39.111 38.185 273 H ILE 36 H ILE 36 51.693 41.577 43.303 274 HA ILE 36 HA ILE 36 51.898 43.744 41.260 275 HB ILE 36 HB ILE 36 53.864 42.386 43.101 276 HG12 ILE 36 2HG1 ILE 36 54.665 44.744 43.282 277 HG13 ILE 36 1HG1 ILE 36 53.407 45.250 42.150 278 HG21 ILE 36 1HG2 ILE 36 55.702 43.516 41.678 279 HG22 ILE 36 2HG2 ILE 36 55.041 42.011 41.067 280 HG23 ILE 36 3HG2 ILE 36 54.471 43.545 40.387 281 HD11 ILE 36 HD1 ILE 36 52.885 45.739 44.530 282 HD12 ILE 36 HD2 ILE 36 51.678 44.670 43.806 283 HD13 ILE 36 HD3 ILE 36 52.929 44.002 44.884 284 H TYR 37 H TYR 37 51.592 43.212 39.243 285 HA TYR 37 HA TYR 37 52.099 40.479 38.277 286 HB2 TYR 37 HB2 TYR 37 50.074 41.529 37.678 287 HB3 TYR 37 HB1 TYR 37 50.877 42.920 36.988 288 HD1 TYR 37 HD1 TYR 37 49.880 39.409 36.514 289 HD2 TYR 37 HD2 TYR 37 52.030 42.729 34.805 290 HE1 TYR 37 HE1 TYR 37 49.932 38.249 34.330 291 HE2 TYR 37 HE2 TYR 37 51.955 41.627 32.582 292 HH TYR 37 HH TYR 37 51.320 39.728 31.398 293 H GLY 38 H GLY 38 53.398 39.899 36.619 294 HA2 GLY 38 HA2 GLY 38 55.912 41.436 36.363 295 HA3 GLY 38 HA1 GLY 38 55.605 39.765 35.876 296 H GLY 39 H GLY 39 54.669 39.354 33.865 297 HA2 GLY 39 HA2 GLY 39 53.814 40.931 31.786 298 HA3 GLY 39 HA1 GLY 39 55.533 41.291 31.842 299 H CYS 40 H CYS 40 54.723 38.026 32.730 300 HA CYS 40 HA CYS 40 55.916 37.108 30.138 301 HB2 CYS 40 HB2 CYS 40 56.066 35.951 32.928 302 HB3 CYS 40 HB1 CYS 40 56.494 35.060 31.482 303 H GLY 41 H GLY 41 54.067 35.331 32.639 304 HA2 GLY 41 HA2 GLY 41 51.660 35.169 31.040 305 HA3 GLY 41 HA1 GLY 41 52.591 33.667 31.055 306 H GLY 42 H GLY 42 50.129 35.182 32.521 307 HA2 GLY 42 HA2 GLY 42 50.554 33.920 35.208 308 HA3 GLY 42 HA1 GLY 42 49.654 35.413 34.964 309 H ASN 43 H ASN 43 47.599 34.855 35.452 310 HA ASN 43 HA ASN 43 46.330 32.623 33.931 311 HB2 ASN 43 HB2 ASN 43 44.919 32.253 35.854 312 HB3 ASN 43 HB1 ASN 43 46.597 32.232 36.364 313 HD21 ASN 43 1HD2 ASN 43 45.049 32.518 38.404 314 HD22 ASN 43 2HD2 ASN 43 44.963 34.141 38.945 315 H ALA 44 H ALA 44 43.781 32.972 34.068 316 HA ALA 44 HA ALA 44 43.146 35.436 32.624 317 HB1 ALA 44 HB1 ALA 44 40.925 34.359 32.404 318 HB2 ALA 44 HB2 ALA 44 42.229 33.257 31.929 319 HB3 ALA 44 HB3 ALA 44 41.434 33.063 33.513 320 H ASN 45 H ASN 45 43.525 35.028 35.865 321 HA ASN 45 HA ASN 45 41.116 36.584 36.630 322 HB2 ASN 45 HB2 ASN 45 42.024 34.298 37.779 323 HB3 ASN 45 HB1 ASN 45 42.961 35.466 38.706 324 HD21 ASN 45 1HD2 ASN 45 41.610 34.357 40.422 325 HD22 ASN 45 2HD2 ASN 45 40.070 35.095 40.800 326 H ASN 46 H ASN 46 43.506 37.592 35.168 327 HA ASN 46 HA ASN 46 44.908 39.329 37.076 328 HB2 ASN 46 HB2 ASN 46 46.340 39.798 35.140 329 HB3 ASN 46 HB1 ASN 46 46.198 38.058 35.415 330 HD21 ASN 46 1HD2 ASN 46 46.875 39.636 32.907 331 HD22 ASN 46 2HD2 ASN 46 45.667 39.040 31.763 332 H PHE 47 H PHE 47 43.456 40.878 37.696 333 HA PHE 47 HA PHE 47 42.040 42.508 35.649 334 HB2 PHE 47 HB2 PHE 47 41.938 42.652 38.674 335 HB3 PHE 47 HB1 PHE 47 40.779 43.308 37.561 336 HD1 PHE 47 HD1 PHE 47 40.732 40.544 35.808 337 HD2 PHE 47 HD2 PHE 47 40.337 41.606 39.954 338 HE1 PHE 47 HE1 PHE 47 39.393 38.511 36.210 339 HE2 PHE 47 HE2 PHE 47 38.781 39.779 40.277 340 HZ PHE 47 HZ PHE 47 38.298 38.143 38.418 341 H GLU 48 H GLU 48 41.875 44.870 36.145 342 HA GLU 48 HA GLU 48 44.524 46.028 36.652 343 HB2 GLU 48 HB2 GLU 48 41.949 47.419 35.833 344 HB3 GLU 48 HB1 GLU 48 43.572 48.076 35.802 345 HG2 GLU 48 HG2 GLU 48 43.116 47.485 33.561 346 HG3 GLU 48 HG1 GLU 48 44.250 46.287 34.164 347 H THR 49 H THR 49 41.309 46.335 38.172 348 HA THR 49 HA THR 49 42.534 47.336 40.654 349 HB THR 49 HB THR 49 41.121 49.289 40.878 350 HG1 THR 49 HG1 THR 49 40.587 49.248 38.159 351 HG21 THR 49 1HG2 THR 49 42.247 50.851 39.474 352 HG22 THR 49 2HG2 THR 49 43.415 49.619 39.980 353 HG23 THR 49 3HG2 THR 49 42.751 49.583 38.337 354 H ARG 50 H ARG 50 40.872 47.669 42.365 355 HA ARG 50 HA ARG 50 39.097 45.590 42.869 356 HB2 ARG 50 HB2 ARG 50 38.764 48.479 43.756 357 HB3 ARG 50 HB1 ARG 50 37.961 47.068 44.458 358 HG2 ARG 50 HG2 ARG 50 40.248 46.117 45.015 359 HG3 ARG 50 HG1 ARG 50 40.957 47.622 44.405 360 HD2 ARG 50 HD2 ARG 50 40.844 47.730 46.800 361 HD3 ARG 50 HD1 ARG 50 39.735 48.914 46.099 362 HE ARG 50 HE ARG 50 38.301 46.505 46.601 363 HH11 ARG 50 1HH1 ARG 50 39.884 48.992 48.477 364 HH12 ARG 50 2HH1 ARG 50 38.829 48.819 49.837 365 HH21 ARG 50 1HH2 ARG 50 36.974 46.272 48.432 366 HH22 ARG 50 2HH2 ARG 50 37.221 47.318 49.794 367 H ALA 51 H ALA 51 38.424 48.317 40.751 368 HA ALA 51 HA ALA 51 35.534 47.928 40.702 369 HB1 ALA 51 HB1 ALA 51 35.647 49.616 38.905 370 HB2 ALA 51 HB2 ALA 51 36.582 50.143 40.320 371 HB3 ALA 51 HB3 ALA 51 37.420 49.503 38.892 372 H GLU 52 H GLU 52 38.315 46.726 38.818 373 HA GLU 52 HA GLU 52 36.651 45.593 36.742 374 HB2 GLU 52 HB2 GLU 52 38.910 46.207 36.182 375 HB3 GLU 52 HB1 GLU 52 39.570 45.218 37.476 376 HG2 GLU 52 HG2 GLU 52 39.899 44.061 35.394 377 HG3 GLU 52 HG1 GLU 52 38.753 43.161 36.350 378 H CYS 53 H CYS 53 38.306 44.309 39.678 379 HA CYS 53 HA CYS 53 37.464 41.682 39.516 380 HB2 CYS 53 HB2 CYS 53 37.118 42.973 42.192 381 HB3 CYS 53 HB1 CYS 53 37.950 41.482 41.751 382 H ARG 54 H ARG 54 35.430 44.375 39.961 383 HA ARG 54 HA ARG 54 33.059 42.831 40.795 384 HB2 ARG 54 HB2 ARG 54 33.338 45.728 39.938 385 HB3 ARG 54 HB1 ARG 54 31.852 44.982 40.470 386 HG2 ARG 54 HG2 ARG 54 32.779 44.581 42.704 387 HG3 ARG 54 HG1 ARG 54 34.364 45.199 42.192 388 HD2 ARG 54 HD2 ARG 54 33.354 47.382 41.714 389 HD3 ARG 54 HD1 ARG 54 31.750 46.764 42.196 390 HE ARG 54 HE ARG 54 33.309 46.251 44.394 391 HH11 ARG 54 1HH1 ARG 54 32.681 49.192 42.611 392 HH12 ARG 54 2HH1 ARG 54 32.835 50.210 44.009 393 HH21 ARG 54 1HH2 ARG 54 33.405 47.616 46.186 394 HH22 ARG 54 2HH2 ARG 54 33.254 49.329 45.978 395 H HIS 55 H HIS 55 34.120 44.519 37.800 396 HA HIS 55 HA HIS 55 31.704 43.703 36.378 397 HB2 HIS 55 HB2 HIS 55 34.359 44.842 35.453 398 HB3 HIS 55 HB1 HIS 55 33.039 44.459 34.365 399 HD1 HIS 55 HD1 HIS 55 33.948 46.894 37.153 400 HD2 HIS 55 HD2 HIS 55 31.076 46.185 34.162 401 HE1 HIS 55 HE1 HIS 55 32.534 49.061 36.978 402 HE2 HIS 55 HE2 HIS 55 30.799 48.617 35.122 403 H THR 56 H THR 56 34.965 42.249 36.660 404 HA THR 56 HA THR 56 34.264 40.059 34.984 405 HB THR 56 HB THR 56 36.458 40.082 37.080 406 HG1 THR 56 HG1 THR 56 37.607 41.064 35.200 407 HG21 THR 56 1HG2 THR 56 37.604 38.897 35.078 408 HG22 THR 56 2HG2 THR 56 36.352 37.974 35.939 409 HG23 THR 56 3HG2 THR 56 36.005 38.751 34.378 410 H CYS 57 H CYS 57 33.829 40.494 38.483 411 HA CYS 57 HA CYS 57 32.507 37.836 38.540 412 HB2 CYS 57 HB2 CYS 57 35.064 38.351 39.721 413 HB3 CYS 57 HB1 CYS 57 33.911 38.096 41.030 414 H VAL 58 H VAL 58 33.133 40.637 40.739 415 HA VAL 58 HA VAL 58 30.522 40.172 41.988 416 HB VAL 58 HB VAL 58 32.291 42.509 42.666 417 HG11 VAL 58 1HG1 VAL 58 31.297 42.221 44.876 418 HG12 VAL 58 2HG1 VAL 58 30.012 42.423 43.665 419 HG13 VAL 58 3HG1 VAL 58 30.393 40.817 44.310 420 HG21 VAL 58 1HG2 VAL 58 33.322 41.097 44.396 421 HG22 VAL 58 2HG2 VAL 58 32.567 39.676 43.647 422 HG23 VAL 58 3HG2 VAL 58 33.799 40.619 42.764 423 H ALA 59 H ALA 59 29.632 40.546 39.617 424 HA ALA 59 HA ALA 59 28.200 43.098 39.805 425 HB1 ALA 59 HB1 ALA 59 28.661 43.710 37.427 426 HB2 ALA 59 HB2 ALA 59 30.105 43.790 38.453 427 HB3 ALA 59 HB3 ALA 59 29.857 42.405 37.356 428 H SER 60 H SER 60 26.126 42.765 39.421 429 HA SER 60 HA SER 60 25.190 41.093 37.182 430 HB2 SER 60 HB2 SER 60 23.727 39.757 38.731 431 HB3 SER 60 HB1 SER 60 25.460 39.442 38.915 432 HG SER 60 HG SER 60 24.375 39.766 40.925 433 H ARG 61 H ARG 61 25.038 43.924 37.629 434 HA ARG 61 HA ARG 61 22.302 44.556 38.547 435 HB2 ARG 61 HB2 ARG 61 22.945 46.896 38.041 436 HB3 ARG 61 HB1 ARG 61 23.929 46.074 39.263 437 HG2 ARG 61 HG2 ARG 61 25.776 45.796 37.657 438 HG3 ARG 61 HG1 ARG 61 24.807 46.444 36.343 439 HD2 ARG 61 HD2 ARG 61 26.309 48.146 37.155 440 HD3 ARG 61 HD1 ARG 61 24.622 48.593 37.488 441 HE ARG 61 HE ARG 61 25.961 47.190 39.683 442 HH11 ARG 61 1HH1 ARG 61 25.280 50.349 38.369 443 HH12 ARG 61 2HH1 ARG 61 25.489 51.152 39.899 444 HH21 ARG 61 1HH2 ARG 61 26.129 48.241 41.651 445 HH22 ARG 61 2HH2 ARG 61 25.945 49.965 41.712 446 H LYS 62 H LYS 62 21.265 43.182 36.972 447 HA LYS 62 HA LYS 62 21.257 43.957 34.145 448 HB2 LYS 62 HB2 LYS 62 19.359 42.205 35.791 449 HB3 LYS 62 HB1 LYS 62 19.138 42.556 34.073 450 HG2 LYS 62 HG2 LYS 62 20.136 40.447 34.176 451 HG3 LYS 62 HG1 LYS 62 21.375 41.551 33.578 452 HD2 LYS 62 HD2 LYS 62 22.463 41.570 35.772 453 HD3 LYS 62 HD1 LYS 62 21.169 40.579 36.473 454 HE2 LYS 62 HE2 LYS 62 23.115 39.755 34.264 455 HE3 LYS 62 HE1 LYS 62 23.266 39.335 35.971 456 HZ1 LYS 62 HZ1 LYS 62 22.283 37.514 34.748 457 HZ2 LYS 62 HZ2 LYS 62 21.172 38.099 35.794 458 HZ3 LYS 62 HZ3 LYS 62 21.057 38.454 34.191 459 H GLY 63 H GLY 63 19.078 44.681 36.838 460 HA2 GLY 63 HA2 GLY 63 17.605 46.665 35.145 461 HA3 GLY 63 HA1 GLY 63 17.015 45.936 36.630 462 H GLY 64 H GLY 64 16.751 47.633 37.981 463 HA2 GLY 64 HA2 GLY 64 18.566 49.887 38.093 464 HA3 GLY 64 HA1 GLY 64 17.205 49.593 39.164 465 HA PRO 65 HA PRO 65 21.267 48.426 41.366 466 HB2 PRO 65 HB1 PRO 65 22.134 50.743 42.494 467 HB3 PRO 65 HB2 PRO 65 22.524 50.323 40.796 468 HG2 PRO 65 HG1 PRO 65 20.273 52.109 41.809 469 HG3 PRO 65 HG2 PRO 65 21.474 52.475 40.538 470 HD2 PRO 65 HD1 PRO 65 18.978 51.514 39.959 471 HD3 PRO 65 HD2 PRO 65 20.406 51.072 38.982 472 H ARG 66 H ARG 66 18.272 49.858 42.018 473 HA ARG 66 HA ARG 66 18.021 48.594 44.623 474 HB2 ARG 66 HB2 ARG 66 19.123 50.739 45.228 475 HB3 ARG 66 HB1 ARG 66 17.871 51.647 44.371 476 HG2 ARG 66 HG2 ARG 66 16.165 50.854 45.957 477 HG3 ARG 66 HG1 ARG 66 17.369 49.824 46.767 478 HD2 ARG 66 HD2 ARG 66 18.705 51.876 47.296 479 HD3 ARG 66 HD1 ARG 66 17.448 52.858 46.546 480 HE ARG 66 HE ARG 66 15.895 52.240 48.282 481 HH11 ARG 66 1HH1 ARG 66 19.173 51.247 49.057 482 HH12 ARG 66 2HH1 ARG 66 18.823 51.137 50.759 483 HH21 ARG 66 1HH2 ARG 66 15.533 52.070 50.456 484 HH22 ARG 66 2HH2 ARG 66 16.815 51.591 51.528 485 H ARG 67 H ARG 67 16.105 47.582 44.275 486 HA ARG 67 HA ARG 67 13.813 49.112 43.183 487 HB2 ARG 67 HB2 ARG 67 14.641 47.754 41.343 488 HB3 ARG 67 HB1 ARG 67 14.634 46.305 42.365 489 HG2 ARG 67 HG2 ARG 67 12.191 46.407 42.587 490 HG3 ARG 67 HG1 ARG 67 12.144 47.920 41.650 491 HD2 ARG 67 HD2 ARG 67 13.037 46.758 39.696 492 HD3 ARG 67 HD1 ARG 67 13.194 45.255 40.627 493 HE ARG 67 HE ARG 67 10.585 45.753 40.965 494 HH11 ARG 67 1HH1 ARG 67 12.465 45.669 38.021 495 HH12 ARG 67 2HH1 ARG 67 11.100 45.190 37.035 496 HH21 ARG 67 1HH2 ARG 67 8.885 45.151 39.658 497 HH22 ARG 67 2HH2 ARG 67 9.105 44.901 37.955 498 HA PRO 68 HA PRO 68 12.057 47.216 46.926 499 HB2 PRO 68 HB1 PRO 68 9.407 47.933 45.780 500 HB3 PRO 68 HB2 PRO 68 10.126 48.426 47.326 501 HG2 PRO 68 HG1 PRO 68 9.862 50.182 45.238 502 HG3 PRO 68 HG2 PRO 68 11.293 50.225 46.325 503 HD2 PRO 68 HD1 PRO 68 11.050 48.893 43.613 504 HD3 PRO 68 HD2 PRO 68 12.322 49.988 44.239 Start of MODEL 10 1 H PCA 1 H PGA 1 28.390 27.965 37.912 2 HA PCA 1 HA PGA 1 29.159 28.550 40.398 3 HB2 PCA 1 HB1 PGA 1 31.491 29.795 38.916 4 HB3 PCA 1 HB2 PGA 1 31.442 29.112 40.580 5 HG2 PCA 1 HG1 PGA 1 32.437 27.696 38.448 6 HG3 PCA 1 HG2 PGA 1 31.506 26.892 39.759 7 H ASP 2 H ASP 2 27.687 29.789 37.951 8 HA ASP 2 HA ASP 2 26.609 31.661 37.328 9 HB2 ASP 2 HB2 ASP 2 25.905 31.842 39.629 10 HB3 ASP 2 HB1 ASP 2 27.374 32.695 40.079 11 H ARG 3 H ARG 3 29.663 32.637 38.830 12 HA ARG 3 HA ARG 3 30.228 34.654 36.696 13 HB2 ARG 3 HB2 ARG 3 31.545 34.165 39.409 14 HB3 ARG 3 HB1 ARG 3 31.770 35.580 38.390 15 HG2 ARG 3 HG2 ARG 3 29.172 34.932 39.777 16 HG3 ARG 3 HG1 ARG 3 30.394 36.030 40.335 17 HD2 ARG 3 HD2 ARG 3 28.808 37.418 39.290 18 HD3 ARG 3 HD1 ARG 3 30.133 37.314 38.112 19 HE ARG 3 HE ARG 3 27.867 35.403 37.977 20 HH11 ARG 3 1HH1 ARG 3 28.656 38.536 36.889 21 HH12 ARG 3 2HH1 ARG 3 27.745 38.386 35.392 22 HH21 ARG 3 1HH2 ARG 3 27.051 35.046 36.002 23 HH22 ARG 3 2HH2 ARG 3 26.708 36.391 34.935 24 HA PRO 4 HA PRO 4 33.279 32.194 34.890 25 HB2 PRO 4 HB1 PRO 4 35.717 33.437 34.807 26 HB3 PRO 4 HB2 PRO 4 34.309 33.916 33.804 27 HG2 PRO 4 HG1 PRO 4 35.325 35.162 36.340 28 HG3 PRO 4 HG2 PRO 4 34.692 35.974 34.885 29 HD2 PRO 4 HD1 PRO 4 33.259 35.564 37.138 30 HD3 PRO 4 HD2 PRO 4 32.473 35.620 35.540 31 H LYS 5 H LYS 5 34.561 30.493 35.248 32 HA LYS 5 HA LYS 5 35.169 29.724 37.933 33 HB2 LYS 5 HB2 LYS 5 36.331 28.417 35.485 34 HB3 LYS 5 HB1 LYS 5 35.938 27.670 37.033 35 HG2 LYS 5 HG2 LYS 5 33.528 28.010 36.602 36 HG3 LYS 5 HG1 LYS 5 33.872 28.726 35.032 37 HD2 LYS 5 HD2 LYS 5 34.816 25.916 35.721 38 HD3 LYS 5 HD1 LYS 5 33.184 26.250 35.151 39 HE2 LYS 5 HE2 LYS 5 34.428 25.621 33.245 40 HE3 LYS 5 HE1 LYS 5 34.075 27.338 33.097 41 HZ1 LYS 5 HZ1 LYS 5 36.362 26.782 32.477 42 HZ2 LYS 5 HZ2 LYS 5 36.372 27.787 33.776 43 HZ3 LYS 5 HZ3 LYS 5 36.672 26.183 33.977 44 H PHE 6 H PHE 6 37.199 31.339 35.561 45 HA PHE 6 HA PHE 6 39.730 30.574 36.724 46 HB2 PHE 6 HB2 PHE 6 40.649 32.460 35.456 47 HB3 PHE 6 HB1 PHE 6 39.690 31.367 34.480 48 HD1 PHE 6 HD1 PHE 6 39.325 34.597 36.443 49 HD2 PHE 6 HD2 PHE 6 38.273 32.376 32.897 50 HE1 PHE 6 HE1 PHE 6 38.058 36.532 35.607 51 HE2 PHE 6 HE2 PHE 6 37.057 34.360 32.032 52 HZ PHE 6 HZ PHE 6 36.934 36.428 33.396 53 H CYS 7 H CYS 7 37.245 32.690 37.871 54 HA CYS 7 HA CYS 7 38.729 34.415 39.534 55 HB2 CYS 7 HB2 CYS 7 35.999 33.134 39.653 56 HB3 CYS 7 HB1 CYS 7 36.580 34.118 40.952 57 H TYR 8 H TYR 8 37.968 30.957 39.894 58 HA TYR 8 HA TYR 8 38.566 30.864 42.754 59 HB2 TYR 8 HB2 TYR 8 38.108 28.721 40.650 60 HB3 TYR 8 HB1 TYR 8 38.378 28.389 42.349 61 HD1 TYR 8 HD1 TYR 8 36.046 30.306 40.074 62 HD2 TYR 8 HD2 TYR 8 36.604 28.315 43.860 63 HE1 TYR 8 HE1 TYR 8 33.635 30.619 40.595 64 HE2 TYR 8 HE2 TYR 8 34.185 28.597 44.352 65 HH TYR 8 HH TYR 8 32.191 29.416 43.626 66 H LEU 9 H LEU 9 40.561 31.199 40.104 67 HA LEU 9 HA LEU 9 42.800 29.579 41.111 68 HB2 LEU 9 HB2 LEU 9 42.582 31.552 38.827 69 HB3 LEU 9 HB1 LEU 9 43.976 30.540 39.167 70 HG LEU 9 HG LEU 9 41.216 29.392 38.518 71 HD11 LEU 9 1HD1 LEU 9 41.998 29.073 36.256 72 HD12 LEU 9 2HD1 LEU 9 42.067 30.807 36.661 73 HD13 LEU 9 3HD1 LEU 9 43.550 29.843 36.633 74 HD21 LEU 9 1HD2 LEU 9 42.547 27.370 37.968 75 HD22 LEU 9 2HD2 LEU 9 44.034 28.204 38.449 76 HD23 LEU 9 3HD2 LEU 9 42.788 27.838 39.658 77 HA PRO 10 HA PRO 10 43.869 32.997 43.966 78 HB2 PRO 10 HB1 PRO 10 46.464 31.484 43.767 79 HB3 PRO 10 HB2 PRO 10 45.695 32.216 45.213 80 HG2 PRO 10 HG1 PRO 10 45.438 29.560 44.780 81 HG3 PRO 10 HG2 PRO 10 43.991 30.509 45.241 82 HD2 PRO 10 HD1 PRO 10 44.850 29.612 42.482 83 HD3 PRO 10 HD2 PRO 10 43.236 29.522 43.251 84 H ASP 11 H ASP 11 45.678 34.727 44.043 85 HA ASP 11 HA ASP 11 45.887 35.918 41.458 86 HB2 ASP 11 HB2 ASP 11 47.403 37.502 42.496 87 HB3 ASP 11 HB1 ASP 11 45.903 37.316 43.394 88 H ASP 12 H ASP 12 47.056 35.279 39.809 89 HA ASP 12 HA ASP 12 49.684 33.950 40.296 90 HB2 ASP 12 HB2 ASP 12 47.898 32.399 39.613 91 HB3 ASP 12 HB1 ASP 12 47.749 33.297 38.091 92 HA PRO 13 HA PRO 13 50.513 37.868 37.910 93 HB2 PRO 13 HB1 PRO 13 53.108 38.052 39.015 94 HB3 PRO 13 HB2 PRO 13 51.638 38.769 39.713 95 HG2 PRO 13 HG1 PRO 13 52.878 36.162 40.491 96 HG3 PRO 13 HG2 PRO 13 52.332 37.520 41.537 97 HD2 PRO 13 HD1 PRO 13 50.750 35.438 41.153 98 HD3 PRO 13 HD2 PRO 13 50.034 37.067 41.059 99 H GLY 14 H GLY 14 51.914 34.741 38.113 100 HA2 GLY 14 HA2 GLY 14 52.826 33.510 36.411 101 HA3 GLY 14 HA1 GLY 14 53.146 34.978 35.476 102 H VAL 15 H VAL 15 55.129 33.750 35.093 103 HA VAL 15 HA VAL 15 57.035 33.572 37.295 104 HB VAL 15 HB VAL 15 58.336 32.167 35.800 105 HG11 VAL 15 1HG1 VAL 15 56.761 30.334 35.659 106 HG12 VAL 15 2HG1 VAL 15 56.491 31.227 37.157 107 HG13 VAL 15 3HG1 VAL 15 55.372 31.432 35.788 108 HG21 VAL 15 1HG2 VAL 15 57.482 31.523 33.603 109 HG22 VAL 15 2HG2 VAL 15 56.154 32.680 33.722 110 HG23 VAL 15 3HG2 VAL 15 57.851 33.254 33.633 111 H CYS 16 H CYS 16 56.589 36.080 35.151 112 HA CYS 16 HA CYS 16 59.375 36.645 34.549 113 HB2 CYS 16 HB2 CYS 16 56.750 38.018 34.200 114 HB3 CYS 16 HB1 CYS 16 58.156 39.080 34.319 115 H LYS 17 H LYS 17 57.529 37.187 37.417 116 HA LYS 17 HA LYS 17 57.849 38.513 39.302 117 HB2 LYS 17 HB2 LYS 17 60.711 37.722 38.591 118 HB3 LYS 17 HB1 LYS 17 60.217 38.297 40.158 119 HG2 LYS 17 HG2 LYS 17 59.176 35.762 38.827 120 HG3 LYS 17 HG1 LYS 17 60.443 35.831 40.035 121 HD2 LYS 17 HD2 LYS 17 57.545 36.693 40.481 122 HD3 LYS 17 HD1 LYS 17 58.260 35.157 40.974 123 HE2 LYS 17 HE2 LYS 17 59.875 36.305 42.423 124 HE3 LYS 17 HE1 LYS 17 59.261 37.880 41.915 125 HZ1 LYS 17 HZ1 LYS 17 58.307 37.174 44.033 126 HZ2 LYS 17 HZ2 LYS 17 57.126 37.327 42.892 127 HZ3 LYS 17 HZ3 LYS 17 57.653 35.840 43.332 128 H ALA 18 H ALA 18 57.894 40.117 36.784 129 HA ALA 18 HA ALA 18 59.598 42.373 37.318 130 HB1 ALA 18 HB1 ALA 18 58.546 43.381 35.444 131 HB2 ALA 18 HB2 ALA 18 58.657 41.666 35.058 132 HB3 ALA 18 HB3 ALA 18 57.116 42.368 35.593 133 H HIS 19 H HIS 19 57.200 44.312 36.842 134 HA HIS 19 HA HIS 19 56.035 44.287 39.527 135 HB2 HIS 19 HB2 HIS 19 58.477 45.224 39.565 136 HB3 HIS 19 HB1 HIS 19 57.771 46.684 38.905 137 HD1 HIS 19 HD1 HIS 19 55.790 47.796 40.564 138 HD2 HIS 19 HD2 HIS 19 58.262 44.731 42.085 139 HE1 HIS 19 HE1 HIS 19 55.531 47.865 43.153 140 HE2 HIS 19 HE2 HIS 19 57.074 46.003 44.062 141 H ILE 20 H ILE 20 54.071 44.187 38.243 142 HA ILE 20 HA ILE 20 53.216 46.910 37.371 143 HB ILE 20 HB ILE 20 52.132 44.313 36.291 144 HG12 ILE 20 2HG1 ILE 20 54.458 45.976 35.306 145 HG13 ILE 20 1HG1 ILE 20 54.419 44.247 35.664 146 HG21 ILE 20 1HG2 ILE 20 51.173 45.736 34.567 147 HG22 ILE 20 2HG2 ILE 20 50.689 46.352 36.133 148 HG23 ILE 20 3HG2 ILE 20 51.989 47.159 35.233 149 HD11 ILE 20 HD1 ILE 20 54.505 44.466 33.306 150 HD12 ILE 20 HD2 ILE 20 52.833 43.981 33.664 151 HD13 ILE 20 HD3 ILE 20 53.205 45.668 33.275 152 HA PRO 21 HA PRO 21 50.259 46.364 40.799 153 HB2 PRO 21 HB1 PRO 21 48.635 48.540 40.266 154 HB3 PRO 21 HB2 PRO 21 50.190 48.627 41.148 155 HG2 PRO 21 HG1 PRO 21 49.666 49.167 38.215 156 HG3 PRO 21 HG2 PRO 21 50.636 50.146 39.366 157 HD2 PRO 21 HD1 PRO 21 51.810 48.433 37.644 158 HD3 PRO 21 HD2 PRO 21 52.422 48.589 39.315 159 H ARG 22 H ARG 22 48.730 44.873 40.729 160 HA ARG 22 HA ARG 22 46.767 44.720 38.495 161 HB2 ARG 22 HB2 ARG 22 49.046 43.290 38.376 162 HB3 ARG 22 HB1 ARG 22 48.204 42.271 39.518 163 HG2 ARG 22 HG2 ARG 22 47.722 41.261 37.483 164 HG3 ARG 22 HG1 ARG 22 46.295 42.184 37.756 165 HD2 ARG 22 HD2 ARG 22 48.477 42.399 35.721 166 HD3 ARG 22 HD1 ARG 22 46.746 42.606 35.511 167 HE ARG 22 HE ARG 22 48.181 44.764 36.956 168 HH11 ARG 22 1HH1 ARG 22 46.608 43.834 33.968 169 HH12 ARG 22 2HH1 ARG 22 46.631 45.454 33.362 170 HH21 ARG 22 1HH2 ARG 22 48.103 46.749 36.181 171 HH22 ARG 22 2HH2 ARG 22 47.509 47.064 34.556 172 H PHE 23 H PHE 23 45.008 43.230 38.993 173 HA PHE 23 HA PHE 23 44.561 42.861 41.918 174 HB2 PHE 23 HB2 PHE 23 42.701 44.289 39.986 175 HB3 PHE 23 HB1 PHE 23 42.197 43.684 41.553 176 HD1 PHE 23 HD1 PHE 23 42.494 45.021 43.497 177 HD2 PHE 23 HD2 PHE 23 44.717 45.975 39.945 178 HE1 PHE 23 HE1 PHE 23 43.251 47.195 44.504 179 HE2 PHE 23 HE2 PHE 23 45.435 48.109 40.942 180 HZ PHE 23 HZ PHE 23 44.682 48.729 43.215 181 H TYR 24 H TYR 24 42.980 41.312 42.449 182 HA TYR 24 HA TYR 24 41.985 39.557 40.272 183 HB2 TYR 24 HB2 TYR 24 43.512 37.983 40.538 184 HB3 TYR 24 HB1 TYR 24 44.372 38.951 41.693 185 HD1 TYR 24 HD1 TYR 24 43.321 38.927 44.112 186 HD2 TYR 24 HD2 TYR 24 43.066 35.815 41.210 187 HE1 TYR 24 HE1 TYR 24 42.834 37.239 45.928 188 HE2 TYR 24 HE2 TYR 24 42.321 34.216 42.959 189 HH TYR 24 HH TYR 24 42.102 33.853 45.175 190 H TYR 25 H TYR 25 40.305 38.144 40.972 191 HA TYR 25 HA TYR 25 38.834 39.161 43.383 192 HB2 TYR 25 HB2 TYR 25 37.407 39.156 41.423 193 HB3 TYR 25 HB1 TYR 25 37.888 37.500 41.036 194 HD1 TYR 25 HD1 TYR 25 36.348 39.590 43.807 195 HD2 TYR 25 HD2 TYR 25 36.460 35.885 41.697 196 HE1 TYR 25 HE1 TYR 25 34.356 38.798 45.090 197 HE2 TYR 25 HE2 TYR 25 34.348 35.157 42.801 198 HH TYR 25 HH TYR 25 32.748 35.720 44.259 199 H ASN 26 H ASN 26 38.592 38.020 45.103 200 HA ASN 26 HA ASN 26 39.666 35.240 45.227 201 HB2 ASN 26 HB2 ASN 26 40.812 36.898 46.654 202 HB3 ASN 26 HB1 ASN 26 39.288 37.298 47.430 203 HD21 ASN 26 1HD2 ASN 26 40.574 36.544 49.419 204 HD22 ASN 26 2HD2 ASN 26 40.538 34.803 49.708 205 HA PRO 27 HA PRO 27 35.069 34.672 45.612 206 HB2 PRO 27 HB1 PRO 27 35.088 31.985 44.884 207 HB3 PRO 27 HB2 PRO 27 34.929 33.337 43.737 208 HG2 PRO 27 HG1 PRO 27 37.392 31.787 44.483 209 HG3 PRO 27 HG2 PRO 27 36.848 32.343 42.872 210 HD2 PRO 27 HD1 PRO 27 38.775 33.638 44.283 211 HD3 PRO 27 HD2 PRO 27 37.608 34.526 43.268 212 H ALA 28 H ALA 28 37.858 32.964 47.013 213 HA ALA 28 HA ALA 28 36.406 31.381 48.894 214 HB1 ALA 28 HB1 ALA 28 38.521 31.083 49.969 215 HB2 ALA 28 HB2 ALA 28 38.844 31.133 48.231 216 HB3 ALA 28 HB3 ALA 28 39.200 32.538 49.254 217 H SER 29 H SER 29 36.744 34.787 48.744 218 HA SER 29 HA SER 29 35.441 35.011 51.392 219 HB2 SER 29 HB2 SER 29 37.887 35.278 51.724 220 HB3 SER 29 HB1 SER 29 37.877 36.640 50.594 221 HG SER 29 HG SER 29 36.280 36.543 52.937 222 H ASN 30 H ASN 30 34.883 35.427 48.342 223 HA ASN 30 HA ASN 30 33.877 36.892 46.944 224 HB2 ASN 30 HB2 ASN 30 32.150 36.235 48.709 225 HB3 ASN 30 HB1 ASN 30 32.374 37.840 49.396 226 HD21 ASN 30 1HD2 ASN 30 31.223 36.053 46.561 227 HD22 ASN 30 2HD2 ASN 30 30.253 37.395 45.972 228 H LYS 31 H LYS 31 36.366 37.936 47.773 229 HA LYS 31 HA LYS 31 35.825 40.889 47.782 230 HB2 LYS 31 HB2 LYS 31 37.459 41.303 49.438 231 HB3 LYS 31 HB1 LYS 31 36.435 40.006 50.050 232 HG2 LYS 31 HG2 LYS 31 38.192 38.362 49.199 233 HG3 LYS 31 HG1 LYS 31 39.250 39.740 48.897 234 HD2 LYS 31 HD2 LYS 31 37.996 39.054 51.569 235 HD3 LYS 31 HD1 LYS 31 39.623 38.564 51.092 236 HE2 LYS 31 HE2 LYS 31 40.283 40.949 50.934 237 HE3 LYS 31 HE1 LYS 31 38.627 41.428 51.370 238 HZ1 LYS 31 HZ1 LYS 31 40.044 41.423 53.340 239 HZ2 LYS 31 HZ2 LYS 31 38.895 40.259 53.479 240 HZ3 LYS 31 HZ3 LYS 31 40.437 39.843 53.115 241 H CYS 32 H CYS 32 38.026 42.084 47.458 242 HA CYS 32 HA CYS 32 39.471 40.861 45.142 243 HB2 CYS 32 HB2 CYS 32 38.622 43.746 45.488 244 HB3 CYS 32 HB1 CYS 32 39.565 43.098 44.148 245 H LYS 33 H LYS 33 41.699 41.284 45.056 246 HA LYS 33 HA LYS 33 42.852 43.113 47.099 247 HB2 LYS 33 HB2 LYS 33 44.632 41.590 47.708 248 HB3 LYS 33 HB1 LYS 33 43.068 40.876 48.110 249 HG2 LYS 33 HG2 LYS 33 43.121 39.478 46.167 250 HG3 LYS 33 HG1 LYS 33 44.645 40.176 45.583 251 HD2 LYS 33 HD2 LYS 33 44.414 38.656 48.218 252 HD3 LYS 33 HD1 LYS 33 44.726 37.882 46.679 253 HE2 LYS 33 HE2 LYS 33 46.798 38.051 47.645 254 HE3 LYS 33 HE1 LYS 33 46.758 39.186 46.321 255 HZ1 LYS 33 HZ1 LYS 33 47.792 40.035 48.351 256 HZ2 LYS 33 HZ2 LYS 33 46.588 40.990 47.833 257 HZ3 LYS 33 HZ3 LYS 33 46.356 39.976 49.158 258 H GLU 34 H GLU 34 45.059 43.694 46.646 259 HA GLU 34 HA GLU 34 45.625 43.943 43.741 260 HB2 GLU 34 HB2 GLU 34 45.457 46.005 45.204 261 HB3 GLU 34 HB1 GLU 34 46.851 45.412 46.091 262 HG2 GLU 34 HG2 GLU 34 48.187 45.446 43.957 263 HG3 GLU 34 HG1 GLU 34 46.770 46.100 43.117 264 H PHE 35 H PHE 35 47.482 43.090 42.918 265 HA PHE 35 HA PHE 35 49.502 41.875 44.652 266 HB2 PHE 35 HB2 PHE 35 49.536 39.778 43.624 267 HB3 PHE 35 HB1 PHE 35 47.844 40.055 43.995 268 HD1 PHE 35 HD1 PHE 35 46.198 40.136 42.190 269 HD2 PHE 35 HD2 PHE 35 50.392 39.947 41.299 270 HE1 PHE 35 HE1 PHE 35 45.674 39.475 39.830 271 HE2 PHE 35 HE2 PHE 35 49.848 39.505 38.920 272 HZ PHE 35 HZ PHE 35 47.512 39.096 38.228 273 H ILE 36 H ILE 36 51.522 41.457 43.381 274 HA ILE 36 HA ILE 36 51.827 43.514 41.242 275 HB ILE 36 HB ILE 36 53.767 42.256 43.173 276 HG12 ILE 36 2HG1 ILE 36 52.711 44.362 43.825 277 HG13 ILE 36 1HG1 ILE 36 54.428 44.569 43.549 278 HG21 ILE 36 1HG2 ILE 36 55.602 43.426 41.808 279 HG22 ILE 36 2HG2 ILE 36 54.986 41.904 41.166 280 HG23 ILE 36 3HG2 ILE 36 54.422 43.432 40.472 281 HD11 ILE 36 HD1 ILE 36 53.294 46.492 42.650 282 HD12 ILE 36 HD2 ILE 36 53.870 45.562 41.250 283 HD13 ILE 36 HD3 ILE 36 52.161 45.512 41.742 284 H TYR 37 H TYR 37 51.640 42.958 39.317 285 HA TYR 37 HA TYR 37 51.970 40.223 38.378 286 HB2 TYR 37 HB2 TYR 37 50.062 41.425 37.733 287 HB3 TYR 37 HB1 TYR 37 50.989 42.741 37.066 288 HD1 TYR 37 HD1 TYR 37 49.634 39.384 36.548 289 HD2 TYR 37 HD2 TYR 37 52.274 42.385 34.942 290 HE1 TYR 37 HE1 TYR 37 49.641 38.208 34.365 291 HE2 TYR 37 HE2 TYR 37 52.173 41.288 32.720 292 HH TYR 37 HH TYR 37 51.356 39.487 31.506 293 H GLY 38 H GLY 38 53.248 39.505 36.767 294 HA2 GLY 38 HA2 GLY 38 55.901 40.804 36.594 295 HA3 GLY 38 HA1 GLY 38 55.506 39.148 36.119 296 H GLY 39 H GLY 39 54.542 38.780 34.096 297 HA2 GLY 39 HA2 GLY 39 53.925 40.368 31.964 298 HA3 GLY 39 HA1 GLY 39 55.661 40.640 32.098 299 H CYS 40 H CYS 40 54.752 37.410 32.982 300 HA CYS 40 HA CYS 40 55.872 36.457 30.380 301 HB2 CYS 40 HB2 CYS 40 56.063 35.353 33.184 302 HB3 CYS 40 HB1 CYS 40 56.309 34.343 31.759 303 H GLY 41 H GLY 41 54.029 34.614 32.830 304 HA2 GLY 41 HA2 GLY 41 51.616 34.571 31.139 305 HA3 GLY 41 HA1 GLY 41 52.476 33.035 31.349 306 H GLY 42 H GLY 42 50.029 34.812 32.529 307 HA2 GLY 42 HA2 GLY 42 50.202 33.706 35.292 308 HA3 GLY 42 HA1 GLY 42 49.499 35.287 34.949 309 H ASN 43 H ASN 43 47.618 34.238 36.047 310 HA ASN 43 HA ASN 43 46.030 32.468 34.270 311 HB2 ASN 43 HB2 ASN 43 44.530 32.184 36.104 312 HB3 ASN 43 HB1 ASN 43 46.182 31.980 36.670 313 HD21 ASN 43 1HD2 ASN 43 44.585 32.292 38.638 314 HD22 ASN 43 2HD2 ASN 43 44.709 33.856 39.322 315 H ALA 44 H ALA 44 43.672 32.974 33.996 316 HA ALA 44 HA ALA 44 43.276 35.564 32.783 317 HB1 ALA 44 HB1 ALA 44 40.997 34.672 32.332 318 HB2 ALA 44 HB2 ALA 44 42.273 33.533 31.868 319 HB3 ALA 44 HB3 ALA 44 41.352 33.276 33.361 320 H ASN 45 H ASN 45 43.557 35.193 35.948 321 HA ASN 45 HA ASN 45 41.212 36.846 36.747 322 HB2 ASN 45 HB2 ASN 45 41.860 34.593 37.912 323 HB3 ASN 45 HB1 ASN 45 43.163 35.526 38.640 324 HD21 ASN 45 1HD2 ASN 45 41.376 34.274 40.222 325 HD22 ASN 45 2HD2 ASN 45 40.410 35.465 41.051 326 H ASN 46 H ASN 46 43.541 37.746 35.137 327 HA ASN 46 HA ASN 46 45.096 39.437 36.965 328 HB2 ASN 46 HB2 ASN 46 46.522 39.777 35.015 329 HB3 ASN 46 HB1 ASN 46 46.284 38.058 35.333 330 HD21 ASN 46 1HD2 ASN 46 47.031 39.520 32.797 331 HD22 ASN 46 2HD2 ASN 46 45.790 38.973 31.667 332 H PHE 47 H PHE 47 43.183 40.731 37.519 333 HA PHE 47 HA PHE 47 42.041 42.494 35.483 334 HB2 PHE 47 HB2 PHE 47 41.871 42.798 38.480 335 HB3 PHE 47 HB1 PHE 47 40.752 43.419 37.296 336 HD1 PHE 47 HD1 PHE 47 40.570 40.711 35.647 337 HD2 PHE 47 HD2 PHE 47 40.316 41.717 39.827 338 HE1 PHE 47 HE1 PHE 47 39.196 38.697 36.054 339 HE2 PHE 47 HE2 PHE 47 38.766 39.860 40.159 340 HZ PHE 47 HZ PHE 47 38.224 38.286 38.311 341 H GLU 48 H GLU 48 41.945 44.852 35.958 342 HA GLU 48 HA GLU 48 44.641 45.975 36.484 343 HB2 GLU 48 HB2 GLU 48 42.132 47.210 35.285 344 HB3 GLU 48 HB1 GLU 48 43.776 47.876 35.260 345 HG2 GLU 48 HG2 GLU 48 44.521 45.762 34.050 346 HG3 GLU 48 HG1 GLU 48 42.819 45.318 33.864 347 H THR 49 H THR 49 41.376 46.197 37.805 348 HA THR 49 HA THR 49 42.391 47.618 40.185 349 HB THR 49 HB THR 49 40.651 49.341 40.132 350 HG1 THR 49 HG1 THR 49 40.386 48.857 37.409 351 HG21 THR 49 1HG2 THR 49 41.671 50.919 38.659 352 HG22 THR 49 2HG2 THR 49 42.956 49.920 39.364 353 HG23 THR 49 3HG2 THR 49 42.414 49.644 37.691 354 H ARG 50 H ARG 50 40.776 47.801 41.906 355 HA ARG 50 HA ARG 50 39.103 45.516 42.296 356 HB2 ARG 50 HB2 ARG 50 38.725 48.272 43.563 357 HB3 ARG 50 HB1 ARG 50 38.101 46.724 44.175 358 HG2 ARG 50 HG2 ARG 50 40.479 45.939 44.469 359 HG3 ARG 50 HG1 ARG 50 41.005 47.582 43.990 360 HD2 ARG 50 HD2 ARG 50 39.684 48.530 45.850 361 HD3 ARG 50 HD1 ARG 50 39.284 46.888 46.397 362 HE ARG 50 HE ARG 50 42.003 46.790 46.315 363 HH11 ARG 50 1HH1 ARG 50 39.973 49.265 47.764 364 HH12 ARG 50 2HH1 ARG 50 41.192 49.693 48.927 365 HH21 ARG 50 1HH2 ARG 50 43.558 47.517 47.756 366 HH22 ARG 50 2HH2 ARG 50 43.135 48.709 48.934 367 H ALA 51 H ALA 51 38.445 48.353 40.379 368 HA ALA 51 HA ALA 51 35.543 48.214 40.529 369 HB1 ALA 51 HB1 ALA 51 35.644 49.779 38.637 370 HB2 ALA 51 HB2 ALA 51 36.726 50.302 39.939 371 HB3 ALA 51 HB3 ALA 51 37.384 49.531 38.488 372 H GLU 52 H GLU 52 37.988 47.213 38.049 373 HA GLU 52 HA GLU 52 36.214 45.718 36.393 374 HB2 GLU 52 HB2 GLU 52 38.379 46.337 35.606 375 HB3 GLU 52 HB1 GLU 52 39.179 45.482 36.951 376 HG2 GLU 52 HG2 GLU 52 38.411 43.313 36.123 377 HG3 GLU 52 HG1 GLU 52 37.364 44.105 34.927 378 H CYS 53 H CYS 53 38.269 44.629 39.166 379 HA CYS 53 HA CYS 53 37.592 41.983 39.281 380 HB2 CYS 53 HB2 CYS 53 39.100 43.215 40.852 381 HB3 CYS 53 HB1 CYS 53 37.688 43.944 41.603 382 H ARG 54 H ARG 54 35.430 44.620 40.187 383 HA ARG 54 HA ARG 54 33.367 42.776 41.132 384 HB2 ARG 54 HB2 ARG 54 33.229 45.757 40.521 385 HB3 ARG 54 HB1 ARG 54 31.910 44.822 41.214 386 HG2 ARG 54 HG2 ARG 54 33.134 44.390 43.248 387 HG3 ARG 54 HG1 ARG 54 34.632 45.044 42.564 388 HD2 ARG 54 HD2 ARG 54 33.517 47.257 42.268 389 HD3 ARG 54 HD1 ARG 54 32.063 46.607 43.054 390 HE ARG 54 HE ARG 54 34.170 46.134 44.837 391 HH11 ARG 54 1HH1 ARG 54 32.735 49.009 43.408 392 HH12 ARG 54 2HH1 ARG 54 33.122 50.006 44.777 393 HH21 ARG 54 1HH2 ARG 54 34.557 47.475 46.605 394 HH22 ARG 54 2HH2 ARG 54 34.131 49.154 46.524 395 H HIS 55 H HIS 55 34.072 44.369 38.059 396 HA HIS 55 HA HIS 55 31.407 43.656 36.949 397 HB2 HIS 55 HB2 HIS 55 33.894 44.951 35.774 398 HB3 HIS 55 HB1 HIS 55 32.524 44.470 34.796 399 HD1 HIS 55 HD1 HIS 55 31.100 46.506 34.279 400 HD2 HIS 55 HD2 HIS 55 32.869 46.614 38.087 401 HE1 HIS 55 HE1 HIS 55 30.403 48.755 35.336 402 HE2 HIS 55 HE2 HIS 55 31.541 48.832 37.639 403 H THR 56 H THR 56 34.635 42.253 37.070 404 HA THR 56 HA THR 56 33.956 40.187 35.161 405 HB THR 56 HB THR 56 36.415 40.404 36.938 406 HG1 THR 56 HG1 THR 56 37.199 41.486 35.009 407 HG21 THR 56 1HG2 THR 56 37.438 39.329 34.846 408 HG22 THR 56 2HG2 THR 56 36.375 38.273 35.798 409 HG23 THR 56 3HG2 THR 56 35.785 39.023 34.297 410 H CYS 57 H CYS 57 33.886 40.350 38.719 411 HA CYS 57 HA CYS 57 32.629 37.658 38.625 412 HB2 CYS 57 HB2 CYS 57 35.319 38.025 39.267 413 HB3 CYS 57 HB1 CYS 57 34.533 37.930 40.841 414 H VAL 58 H VAL 58 32.367 40.746 39.967 415 HA VAL 58 HA VAL 58 30.637 39.675 42.166 416 HB VAL 58 HB VAL 58 31.943 42.374 42.473 417 HG11 VAL 58 1HG1 VAL 58 31.467 42.026 44.814 418 HG12 VAL 58 2HG1 VAL 58 29.974 41.787 43.891 419 HG13 VAL 58 3HG1 VAL 58 30.884 40.395 44.489 420 HG21 VAL 58 1HG2 VAL 58 33.604 41.303 43.992 421 HG22 VAL 58 2HG2 VAL 58 33.035 39.733 43.404 422 HG23 VAL 58 3HG2 VAL 58 33.864 40.844 42.308 423 H ALA 59 H ALA 59 30.260 42.875 42.105 424 HA ALA 59 HA ALA 59 28.714 44.326 41.441 425 HB1 ALA 59 HB1 ALA 59 27.899 44.246 39.066 426 HB2 ALA 59 HB2 ALA 59 29.673 44.248 39.240 427 HB3 ALA 59 HB3 ALA 59 28.793 42.765 38.834 428 H SER 60 H SER 60 26.712 44.586 42.177 429 HA SER 60 HA SER 60 24.909 42.411 42.546 430 HB2 SER 60 HB2 SER 60 24.085 45.316 42.612 431 HB3 SER 60 HB1 SER 60 23.501 43.971 43.600 432 HG SER 60 HG SER 60 25.031 44.454 44.947 433 H ARG 61 H ARG 61 25.316 41.992 39.997 434 HA ARG 61 HA ARG 61 24.511 41.898 37.813 435 HB2 ARG 61 HB2 ARG 61 21.931 41.849 39.431 436 HB3 ARG 61 HB1 ARG 61 22.140 41.261 37.779 437 HG2 ARG 61 HG2 ARG 61 23.759 39.554 38.576 438 HG3 ARG 61 HG1 ARG 61 23.611 40.162 40.230 439 HD2 ARG 61 HD2 ARG 61 22.263 38.194 39.966 440 HD3 ARG 61 HD1 ARG 61 21.226 39.587 40.263 441 HE ARG 61 HE ARG 61 21.169 39.524 37.566 442 HH11 ARG 61 1HH1 ARG 61 20.749 36.861 39.811 443 HH12 ARG 61 2HH1 ARG 61 19.725 35.985 38.724 444 HH21 ARG 61 1HH2 ARG 61 19.860 38.329 36.205 445 HH22 ARG 61 2HH2 ARG 61 19.230 36.798 36.745 446 H LYS 62 H LYS 62 25.198 44.045 37.144 447 HA LYS 62 HA LYS 62 23.202 46.232 37.213 448 HB2 LYS 62 HB2 LYS 62 26.070 46.062 36.209 449 HB3 LYS 62 HB1 LYS 62 25.002 47.399 35.765 450 HG2 LYS 62 HG2 LYS 62 26.225 48.171 37.618 451 HG3 LYS 62 HG1 LYS 62 24.583 47.874 38.171 452 HD2 LYS 62 HD2 LYS 62 25.432 45.654 39.145 453 HD3 LYS 62 HD1 LYS 62 27.053 46.143 38.614 454 HE2 LYS 62 HE2 LYS 62 26.796 46.615 40.969 455 HE3 LYS 62 HE1 LYS 62 26.914 48.135 40.081 456 HZ1 LYS 62 HZ1 LYS 62 25.112 48.156 41.757 457 HZ2 LYS 62 HZ2 LYS 62 24.512 48.376 40.245 458 HZ3 LYS 62 HZ3 LYS 62 24.343 46.920 40.977 459 H GLY 63 H GLY 63 21.853 46.792 35.658 460 HA2 GLY 63 HA2 GLY 63 21.861 45.311 33.064 461 HA3 GLY 63 HA1 GLY 63 20.513 46.218 33.752 462 H GLY 64 H GLY 64 22.322 46.357 31.199 463 HA2 GLY 64 HA2 GLY 64 22.488 49.324 31.085 464 HA3 GLY 64 HA1 GLY 64 23.930 48.368 30.714 465 HA PRO 65 HA PRO 65 21.854 49.062 26.651 466 HB2 PRO 65 HB1 PRO 65 24.520 47.849 25.864 467 HB3 PRO 65 HB2 PRO 65 23.601 49.164 25.068 468 HG2 PRO 65 HG1 PRO 65 25.688 49.756 26.682 469 HG3 PRO 65 HG2 PRO 65 24.179 50.714 26.809 470 HD2 PRO 65 HD1 PRO 65 25.126 48.452 28.581 471 HD3 PRO 65 HD2 PRO 65 24.370 50.010 29.038 472 H ARG 66 H ARG 66 20.535 47.650 25.658 473 HA ARG 66 HA ARG 66 20.852 44.733 26.096 474 HB2 ARG 66 HB2 ARG 66 18.717 45.758 26.698 475 HB3 ARG 66 HB1 ARG 66 18.535 46.392 25.043 476 HG2 ARG 66 HG2 ARG 66 18.522 44.050 24.162 477 HG3 ARG 66 HG1 ARG 66 18.683 43.437 25.825 478 HD2 ARG 66 HD2 ARG 66 16.538 44.452 26.427 479 HD3 ARG 66 HD1 ARG 66 16.424 45.207 24.811 480 HE ARG 66 HE ARG 66 16.729 42.583 24.167 481 HH11 ARG 66 1HH1 ARG 66 14.340 44.390 25.960 482 HH12 ARG 66 2HH1 ARG 66 13.074 43.231 25.652 483 HH21 ARG 66 1HH2 ARG 66 15.156 41.193 23.810 484 HH22 ARG 66 2HH2 ARG 66 13.531 41.397 24.418 485 H ARG 67 H ARG 67 22.439 44.161 24.688 486 HA ARG 67 HA ARG 67 22.341 44.803 21.845 487 HB2 ARG 67 HB2 ARG 67 24.459 44.281 23.068 488 HB3 ARG 67 HB1 ARG 67 23.917 42.608 23.268 489 HG2 ARG 67 HG2 ARG 67 23.840 42.362 20.777 490 HG3 ARG 67 HG1 ARG 67 24.429 44.026 20.621 491 HD2 ARG 67 HD2 ARG 67 26.463 43.387 21.924 492 HD3 ARG 67 HD1 ARG 67 25.847 41.720 22.009 493 HE ARG 67 HE ARG 67 25.963 42.616 19.278 494 HH11 ARG 67 1HH1 ARG 67 28.030 41.389 21.816 495 HH12 ARG 67 2HH1 ARG 67 29.232 40.808 20.698 496 HH21 ARG 67 1HH2 ARG 67 27.549 41.865 17.896 497 HH22 ARG 67 2HH2 ARG 67 28.957 41.074 18.530 498 HA PRO 68 HA PRO 68 20.298 40.555 21.281 499 HB2 PRO 68 HB1 PRO 68 18.988 39.866 23.871 500 HB3 PRO 68 HB2 PRO 68 19.958 38.846 22.775 501 HG2 PRO 68 HG1 PRO 68 20.931 39.727 25.172 502 HG3 PRO 68 HG2 PRO 68 21.980 39.615 23.719 503 HD2 PRO 68 HD1 PRO 68 20.522 42.056 24.779 504 HD3 PRO 68 HD2 PRO 68 22.247 41.878 24.356 Start of MODEL 11 1 H PCA 1 H PGA 1 27.706 27.633 39.025 2 HA PCA 1 HA PGA 1 28.520 29.417 40.877 3 HB2 PCA 1 HB1 PGA 1 30.662 29.852 38.788 4 HB3 PCA 1 HB2 PGA 1 30.777 30.076 40.560 5 HG2 PCA 1 HG1 PGA 1 31.733 27.843 39.214 6 HG3 PCA 1 HG2 PGA 1 31.090 27.747 40.892 7 H ASP 2 H ASP 2 27.455 31.367 40.611 8 HA ASP 2 HA ASP 2 26.203 32.171 38.164 9 HB2 ASP 2 HB2 ASP 2 25.408 32.656 40.448 10 HB3 ASP 2 HB1 ASP 2 26.823 33.667 40.733 11 H ARG 3 H ARG 3 29.418 32.362 38.947 12 HA ARG 3 HA ARG 3 30.010 34.819 37.363 13 HB2 ARG 3 HB2 ARG 3 31.613 33.964 39.767 14 HB3 ARG 3 HB1 ARG 3 31.558 35.542 38.982 15 HG2 ARG 3 HG2 ARG 3 29.469 36.115 39.949 16 HG3 ARG 3 HG1 ARG 3 29.245 34.486 40.619 17 HD2 ARG 3 HD2 ARG 3 31.300 34.679 41.920 18 HD3 ARG 3 HD1 ARG 3 31.572 36.308 41.331 19 HE ARG 3 HE ARG 3 29.241 36.791 42.334 20 HH11 ARG 3 1HH1 ARG 3 31.234 34.324 43.729 21 HH12 ARG 3 2HH1 ARG 3 30.692 34.628 45.358 22 HH21 ARG 3 1HH2 ARG 3 28.440 37.006 44.418 23 HH22 ARG 3 2HH2 ARG 3 29.194 36.179 45.745 24 HA PRO 4 HA PRO 4 32.813 32.243 35.224 25 HB2 PRO 4 HB1 PRO 4 35.257 33.493 35.039 26 HB3 PRO 4 HB2 PRO 4 33.795 33.980 34.119 27 HG2 PRO 4 HG1 PRO 4 34.894 35.147 36.689 28 HG3 PRO 4 HG2 PRO 4 34.293 36.023 35.244 29 HD2 PRO 4 HD1 PRO 4 32.769 35.668 37.415 30 HD3 PRO 4 HD2 PRO 4 32.041 35.595 35.791 31 H LYS 5 H LYS 5 34.107 30.484 35.504 32 HA LYS 5 HA LYS 5 34.906 29.710 38.112 33 HB2 LYS 5 HB2 LYS 5 35.624 27.678 37.181 34 HB3 LYS 5 HB1 LYS 5 34.223 28.185 36.242 35 HG2 LYS 5 HG2 LYS 5 35.778 29.061 34.460 36 HG3 LYS 5 HG1 LYS 5 37.160 28.453 35.409 37 HD2 LYS 5 HD2 LYS 5 36.212 26.153 35.296 38 HD3 LYS 5 HD1 LYS 5 34.933 26.741 34.229 39 HE2 LYS 5 HE2 LYS 5 37.944 26.899 33.688 40 HE3 LYS 5 HE1 LYS 5 36.856 25.678 33.039 41 HZ1 LYS 5 HZ1 LYS 5 37.218 27.414 31.432 42 HZ2 LYS 5 HZ2 LYS 5 35.639 27.425 31.881 43 HZ3 LYS 5 HZ3 LYS 5 36.668 28.576 32.459 44 H PHE 6 H PHE 6 36.854 31.374 35.686 45 HA PHE 6 HA PHE 6 39.393 30.536 36.779 46 HB2 PHE 6 HB2 PHE 6 40.308 32.453 35.512 47 HB3 PHE 6 HB1 PHE 6 39.347 31.351 34.545 48 HD1 PHE 6 HD1 PHE 6 38.978 34.506 36.521 49 HD2 PHE 6 HD2 PHE 6 37.858 32.327 32.993 50 HE1 PHE 6 HE1 PHE 6 37.633 36.414 35.779 51 HE2 PHE 6 HE2 PHE 6 36.543 34.286 32.212 52 HZ PHE 6 HZ PHE 6 36.406 36.339 33.605 53 H CYS 7 H CYS 7 36.998 32.710 38.006 54 HA CYS 7 HA CYS 7 38.524 34.344 39.773 55 HB2 CYS 7 HB2 CYS 7 35.792 33.084 39.852 56 HB3 CYS 7 HB1 CYS 7 36.396 34.007 41.182 57 H TYR 8 H TYR 8 37.971 30.864 39.890 58 HA TYR 8 HA TYR 8 38.685 30.691 42.725 59 HB2 TYR 8 HB2 TYR 8 38.027 28.606 40.627 60 HB3 TYR 8 HB1 TYR 8 38.373 28.260 42.305 61 HD1 TYR 8 HD1 TYR 8 36.005 30.325 40.193 62 HD2 TYR 8 HD2 TYR 8 36.642 28.154 43.861 63 HE1 TYR 8 HE1 TYR 8 33.623 30.646 40.775 64 HE2 TYR 8 HE2 TYR 8 34.240 28.465 44.443 65 HH TYR 8 HH TYR 8 32.224 29.254 43.741 66 H LEU 9 H LEU 9 40.602 31.585 40.401 67 HA LEU 9 HA LEU 9 42.820 29.706 40.989 68 HB2 LEU 9 HB2 LEU 9 42.374 31.681 38.775 69 HB3 LEU 9 HB1 LEU 9 43.831 30.701 38.946 70 HG LEU 9 HG LEU 9 41.018 29.550 38.544 71 HD11 LEU 9 1HD1 LEU 9 41.654 29.135 36.237 72 HD12 LEU 9 2HD1 LEU 9 41.738 30.876 36.574 73 HD13 LEU 9 3HD1 LEU 9 43.229 29.905 36.496 74 HD21 LEU 9 1HD2 LEU 9 42.281 27.499 37.933 75 HD22 LEU 9 2HD2 LEU 9 43.803 28.310 38.342 76 HD23 LEU 9 3HD2 LEU 9 42.598 27.973 39.599 77 HA PRO 10 HA PRO 10 44.077 33.153 43.696 78 HB2 PRO 10 HB1 PRO 10 46.710 32.323 44.081 79 HB3 PRO 10 HB2 PRO 10 45.291 31.786 45.024 80 HG2 PRO 10 HG1 PRO 10 46.608 30.430 42.663 81 HG3 PRO 10 HG2 PRO 10 46.047 29.694 44.204 82 HD2 PRO 10 HD1 PRO 10 44.591 29.528 41.965 83 HD3 PRO 10 HD2 PRO 10 43.770 29.832 43.528 84 H ASP 11 H ASP 11 45.898 34.852 43.678 85 HA ASP 11 HA ASP 11 45.858 36.116 41.134 86 HB2 ASP 11 HB2 ASP 11 47.590 37.588 42.075 87 HB3 ASP 11 HB1 ASP 11 46.150 37.471 43.077 88 H ASP 12 H ASP 12 46.854 35.572 39.365 89 HA ASP 12 HA ASP 12 49.411 34.042 39.519 90 HB2 ASP 12 HB2 ASP 12 47.237 32.940 38.698 91 HB3 ASP 12 HB1 ASP 12 47.495 33.907 37.251 92 HA PRO 13 HA PRO 13 50.492 38.057 37.470 93 HB2 PRO 13 HB1 PRO 13 53.039 38.150 38.631 94 HB3 PRO 13 HB2 PRO 13 51.565 38.852 39.340 95 HG2 PRO 13 HG1 PRO 13 52.792 36.213 40.011 96 HG3 PRO 13 HG2 PRO 13 52.180 37.486 41.116 97 HD2 PRO 13 HD1 PRO 13 50.692 35.354 40.491 98 HD3 PRO 13 HD2 PRO 13 49.930 36.965 40.612 99 H GLY 14 H GLY 14 51.801 34.847 37.504 100 HA2 GLY 14 HA2 GLY 14 52.984 33.743 35.840 101 HA3 GLY 14 HA1 GLY 14 53.331 35.281 35.033 102 H VAL 15 H VAL 15 55.506 34.670 34.787 103 HA VAL 15 HA VAL 15 57.177 34.436 37.251 104 HB VAL 15 HB VAL 15 58.613 32.933 35.973 105 HG11 VAL 15 1HG1 VAL 15 57.143 31.023 35.959 106 HG12 VAL 15 2HG1 VAL 15 56.736 32.056 37.328 107 HG13 VAL 15 3HG1 VAL 15 55.694 32.053 35.887 108 HG21 VAL 15 1HG2 VAL 15 57.925 32.028 33.821 109 HG22 VAL 15 2HG2 VAL 15 56.526 33.108 33.751 110 HG23 VAL 15 3HG2 VAL 15 58.188 33.767 33.682 111 H CYS 16 H CYS 16 56.712 36.771 35.006 112 HA CYS 16 HA CYS 16 59.505 37.379 34.370 113 HB2 CYS 16 HB2 CYS 16 56.825 38.578 33.844 114 HB3 CYS 16 HB1 CYS 16 58.195 39.688 33.828 115 H LYS 17 H LYS 17 57.305 38.385 36.894 116 HA LYS 17 HA LYS 17 57.373 40.039 38.482 117 HB2 LYS 17 HB2 LYS 17 58.921 38.050 39.107 118 HB3 LYS 17 HB1 LYS 17 60.268 39.129 38.751 119 HG2 LYS 17 HG2 LYS 17 59.912 39.215 41.105 120 HG3 LYS 17 HG1 LYS 17 59.284 40.744 40.488 121 HD2 LYS 17 HD2 LYS 17 56.953 39.734 40.515 122 HD3 LYS 17 HD1 LYS 17 57.659 38.276 41.222 123 HE2 LYS 17 HE2 LYS 17 58.492 39.650 43.126 124 HE3 LYS 17 HE1 LYS 17 57.725 41.078 42.417 125 HZ1 LYS 17 HZ1 LYS 17 56.272 40.023 44.081 126 HZ2 LYS 17 HZ2 LYS 17 55.571 39.899 42.597 127 HZ3 LYS 17 HZ3 LYS 17 56.308 38.611 43.265 128 H ALA 18 H ALA 18 57.384 41.604 36.448 129 HA ALA 18 HA ALA 18 59.571 43.544 36.587 130 HB1 ALA 18 HB1 ALA 18 58.437 44.610 34.751 131 HB2 ALA 18 HB2 ALA 18 58.483 42.869 34.446 132 HB3 ALA 18 HB3 ALA 18 56.982 43.641 35.005 133 H HIS 19 H HIS 19 56.754 43.169 38.442 134 HA HIS 19 HA HIS 19 55.921 44.423 40.123 135 HB2 HIS 19 HB2 HIS 19 58.503 45.313 40.052 136 HB3 HIS 19 HB1 HIS 19 57.636 46.812 39.891 137 HD1 HIS 19 HD1 HIS 19 55.893 47.348 42.016 138 HD2 HIS 19 HD2 HIS 19 58.717 44.238 42.369 139 HE1 HIS 19 HE1 HIS 19 56.063 46.804 44.551 140 HE2 HIS 19 HE2 HIS 19 57.819 44.934 44.750 141 H ILE 20 H ILE 20 54.142 44.369 38.507 142 HA ILE 20 HA ILE 20 53.336 47.148 37.795 143 HB ILE 20 HB ILE 20 52.451 44.555 36.533 144 HG12 ILE 20 2HG1 ILE 20 54.607 46.523 35.761 145 HG13 ILE 20 1HG1 ILE 20 54.742 44.773 36.008 146 HG21 ILE 20 1HG2 ILE 20 51.455 46.051 34.820 147 HG22 ILE 20 2HG2 ILE 20 50.743 46.365 36.395 148 HG23 ILE 20 3HG2 ILE 20 51.987 47.463 35.737 149 HD11 ILE 20 HD1 ILE 20 54.898 45.178 33.680 150 HD12 ILE 20 HD2 ILE 20 53.303 44.458 33.930 151 HD13 ILE 20 HD3 ILE 20 53.458 46.208 33.659 152 HA PRO 21 HA PRO 21 50.163 46.576 40.984 153 HB2 PRO 21 HB1 PRO 21 48.555 48.734 40.367 154 HB3 PRO 21 HB2 PRO 21 50.076 48.846 41.297 155 HG2 PRO 21 HG1 PRO 21 49.655 49.329 38.327 156 HG3 PRO 21 HG2 PRO 21 50.552 50.352 39.502 157 HD2 PRO 21 HD1 PRO 21 51.825 48.628 37.871 158 HD3 PRO 21 HD2 PRO 21 52.361 48.822 39.572 159 H ARG 22 H ARG 22 48.696 45.025 40.809 160 HA ARG 22 HA ARG 22 46.678 45.070 38.648 161 HB2 ARG 22 HB2 ARG 22 48.869 43.679 38.095 162 HB3 ARG 22 HB1 ARG 22 48.256 42.542 39.276 163 HG2 ARG 22 HG2 ARG 22 47.640 41.796 37.055 164 HG3 ARG 22 HG1 ARG 22 46.163 42.298 37.874 165 HD2 ARG 22 HD2 ARG 22 46.057 43.153 35.650 166 HD3 ARG 22 HD1 ARG 22 46.417 44.546 36.664 167 HE ARG 22 HE ARG 22 48.770 43.233 35.543 168 HH11 ARG 22 1HH1 ARG 22 46.371 45.711 34.970 169 HH12 ARG 22 2HH1 ARG 22 47.295 46.498 33.746 170 HH21 ARG 22 1HH2 ARG 22 49.912 44.249 33.913 171 HH22 ARG 22 2HH2 ARG 22 49.276 45.707 33.207 172 H PHE 23 H PHE 23 44.969 43.431 39.088 173 HA PHE 23 HA PHE 23 44.591 42.889 41.993 174 HB2 PHE 23 HB2 PHE 23 42.779 44.364 40.063 175 HB3 PHE 23 HB1 PHE 23 42.160 43.608 41.523 176 HD1 PHE 23 HD1 PHE 23 42.170 44.802 43.551 177 HD2 PHE 23 HD2 PHE 23 44.744 46.084 40.328 178 HE1 PHE 23 HE1 PHE 23 42.765 46.885 44.808 179 HE2 PHE 23 HE2 PHE 23 45.310 48.127 41.584 180 HZ PHE 23 HZ PHE 23 44.316 48.543 43.804 181 H TYR 24 H TYR 24 43.111 41.240 42.488 182 HA TYR 24 HA TYR 24 41.995 39.645 40.279 183 HB2 TYR 24 HB2 TYR 24 43.474 38.005 40.322 184 HB3 TYR 24 HB1 TYR 24 44.462 38.887 41.440 185 HD1 TYR 24 HD1 TYR 24 44.023 38.653 43.912 186 HD2 TYR 24 HD2 TYR 24 42.491 35.936 40.978 187 HE1 TYR 24 HE1 TYR 24 43.689 36.887 45.650 188 HE2 TYR 24 HE2 TYR 24 41.946 34.310 42.711 189 HH TYR 24 HH TYR 24 42.315 33.735 44.800 190 H TYR 25 H TYR 25 40.390 38.086 41.021 191 HA TYR 25 HA TYR 25 38.962 39.132 43.431 192 HB2 TYR 25 HB2 TYR 25 37.529 39.228 41.532 193 HB3 TYR 25 HB1 TYR 25 37.949 37.577 41.044 194 HD1 TYR 25 HD1 TYR 25 36.346 39.663 43.718 195 HD2 TYR 25 HD2 TYR 25 36.760 35.799 41.955 196 HE1 TYR 25 HE1 TYR 25 34.438 38.837 45.102 197 HE2 TYR 25 HE2 TYR 25 34.706 35.002 43.146 198 HH TYR 25 HH TYR 25 33.175 35.516 44.715 199 H ASN 26 H ASN 26 38.737 37.997 45.169 200 HA ASN 26 HA ASN 26 39.836 35.227 45.248 201 HB2 ASN 26 HB2 ASN 26 41.082 36.880 46.489 202 HB3 ASN 26 HB1 ASN 26 39.624 37.402 47.349 203 HD21 ASN 26 1HD2 ASN 26 41.892 34.631 46.990 204 HD22 ASN 26 2HD2 ASN 26 41.460 34.005 48.574 205 HA PRO 27 HA PRO 27 35.283 34.579 45.869 206 HB2 PRO 27 HB1 PRO 27 35.315 31.867 45.226 207 HB3 PRO 27 HB2 PRO 27 35.109 33.164 44.039 208 HG2 PRO 27 HG1 PRO 27 37.615 31.666 44.772 209 HG3 PRO 27 HG2 PRO 27 37.016 32.152 43.159 210 HD2 PRO 27 HD1 PRO 27 38.971 33.535 44.465 211 HD3 PRO 27 HD2 PRO 27 37.751 34.373 43.458 212 H ALA 28 H ALA 28 38.119 32.841 47.100 213 HA ALA 28 HA ALA 28 36.897 31.346 49.170 214 HB1 ALA 28 HB1 ALA 28 39.169 31.288 50.105 215 HB2 ALA 28 HB2 ALA 28 39.224 31.064 48.346 216 HB3 ALA 28 HB3 ALA 28 39.660 32.636 49.071 217 H SER 29 H SER 29 37.281 34.796 48.979 218 HA SER 29 HA SER 29 35.968 34.982 51.653 219 HB2 SER 29 HB2 SER 29 38.217 36.790 50.743 220 HB3 SER 29 HB1 SER 29 37.356 36.864 52.286 221 HG SER 29 HG SER 29 38.207 34.484 52.269 222 H ASN 30 H ASN 30 35.197 35.285 48.677 223 HA ASN 30 HA ASN 30 34.135 36.702 47.262 224 HB2 ASN 30 HB2 ASN 30 32.414 35.956 48.820 225 HB3 ASN 30 HB1 ASN 30 32.743 37.328 49.883 226 HD21 ASN 30 1HD2 ASN 30 32.344 37.380 46.265 227 HD22 ASN 30 2HD2 ASN 30 30.981 38.490 46.425 228 H LYS 31 H LYS 31 36.589 37.884 48.088 229 HA LYS 31 HA LYS 31 35.923 40.803 47.907 230 HB2 LYS 31 HB2 LYS 31 37.540 41.367 49.548 231 HB3 LYS 31 HB1 LYS 31 36.537 40.079 50.222 232 HG2 LYS 31 HG2 LYS 31 38.353 38.437 49.442 233 HG3 LYS 31 HG1 LYS 31 39.379 39.826 49.108 234 HD2 LYS 31 HD2 LYS 31 38.116 39.203 51.815 235 HD3 LYS 31 HD1 LYS 31 39.755 38.751 51.369 236 HE2 LYS 31 HE2 LYS 31 38.692 41.612 51.491 237 HE3 LYS 31 HE1 LYS 31 39.607 40.805 52.771 238 HZ1 LYS 31 HZ1 LYS 31 41.084 42.142 51.437 239 HZ2 LYS 31 HZ2 LYS 31 41.458 40.571 51.228 240 HZ3 LYS 31 HZ3 LYS 31 40.651 41.398 50.040 241 H CYS 32 H CYS 32 38.199 41.993 47.610 242 HA CYS 32 HA CYS 32 39.595 40.697 45.300 243 HB2 CYS 32 HB2 CYS 32 37.974 42.686 44.843 244 HB3 CYS 32 HB1 CYS 32 39.260 43.678 45.556 245 H LYS 33 H LYS 33 41.840 41.366 45.043 246 HA LYS 33 HA LYS 33 43.089 42.941 47.174 247 HB2 LYS 33 HB2 LYS 33 44.880 41.382 47.633 248 HB3 LYS 33 HB1 LYS 33 43.331 40.663 48.084 249 HG2 LYS 33 HG2 LYS 33 43.351 39.278 46.058 250 HG3 LYS 33 HG1 LYS 33 44.812 40.097 45.475 251 HD2 LYS 33 HD2 LYS 33 45.485 37.959 46.373 252 HD3 LYS 33 HD1 LYS 33 46.116 39.251 47.353 253 HE2 LYS 33 HE2 LYS 33 45.367 37.485 48.792 254 HE3 LYS 33 HE1 LYS 33 44.362 38.916 49.049 255 HZ1 LYS 33 HZ1 LYS 33 43.004 36.905 48.917 256 HZ2 LYS 33 HZ2 LYS 33 42.691 37.822 47.558 257 HZ3 LYS 33 HZ3 LYS 33 43.672 36.502 47.491 258 H GLU 34 H GLU 34 45.190 43.710 46.624 259 HA GLU 34 HA GLU 34 45.628 44.013 43.711 260 HB2 GLU 34 HB2 GLU 34 45.459 46.036 45.153 261 HB3 GLU 34 HB1 GLU 34 46.861 45.478 46.062 262 HG2 GLU 34 HG2 GLU 34 48.233 45.553 43.969 263 HG3 GLU 34 HG1 GLU 34 46.810 46.121 43.079 264 H PHE 35 H PHE 35 47.276 42.900 42.796 265 HA PHE 35 HA PHE 35 49.373 41.654 44.481 266 HB2 PHE 35 HB2 PHE 35 49.366 39.661 43.295 267 HB3 PHE 35 HB1 PHE 35 47.679 39.952 43.631 268 HD1 PHE 35 HD1 PHE 35 46.106 40.258 41.789 269 HD2 PHE 35 HD2 PHE 35 50.312 39.936 41.023 270 HE1 PHE 35 HE1 PHE 35 45.643 39.772 39.381 271 HE2 PHE 35 HE2 PHE 35 49.840 39.700 38.594 272 HZ PHE 35 HZ PHE 35 47.515 39.488 37.788 273 H ILE 36 H ILE 36 51.358 41.231 43.221 274 HA ILE 36 HA ILE 36 51.856 43.456 41.305 275 HB ILE 36 HB ILE 36 53.578 41.961 43.253 276 HG12 ILE 36 2HG1 ILE 36 52.646 44.132 43.880 277 HG13 ILE 36 1HG1 ILE 36 54.398 44.192 43.774 278 HG21 ILE 36 1HG2 ILE 36 55.612 43.048 42.070 279 HG22 ILE 36 2HG2 ILE 36 54.955 41.546 41.391 280 HG23 ILE 36 3HG2 ILE 36 54.540 43.074 40.629 281 HD11 ILE 36 HD1 ILE 36 53.536 46.230 42.862 282 HD12 ILE 36 HD2 ILE 36 54.114 45.296 41.475 283 HD13 ILE 36 HD3 ILE 36 52.376 45.407 41.831 284 H TYR 37 H TYR 37 51.676 43.091 39.322 285 HA TYR 37 HA TYR 37 52.089 40.449 38.126 286 HB2 TYR 37 HB2 TYR 37 50.139 41.768 37.614 287 HB3 TYR 37 HB1 TYR 37 51.091 43.076 37.000 288 HD1 TYR 37 HD1 TYR 37 49.714 39.725 36.371 289 HD2 TYR 37 HD2 TYR 37 52.285 42.811 34.804 290 HE1 TYR 37 HE1 TYR 37 49.727 38.599 34.163 291 HE2 TYR 37 HE2 TYR 37 52.189 41.745 32.564 292 HH TYR 37 HH TYR 37 51.394 39.912 31.312 293 H GLY 38 H GLY 38 53.288 40.144 36.180 294 HA2 GLY 38 HA2 GLY 38 55.830 41.713 36.097 295 HA3 GLY 38 HA1 GLY 38 55.775 39.963 35.830 296 H GLY 39 H GLY 39 54.584 39.238 33.878 297 HA2 GLY 39 HA2 GLY 39 53.788 40.513 31.648 298 HA3 GLY 39 HA1 GLY 39 55.498 40.953 31.651 299 H CYS 40 H CYS 40 54.585 37.736 32.801 300 HA CYS 40 HA CYS 40 55.794 36.589 30.317 301 HB2 CYS 40 HB2 CYS 40 56.258 35.796 33.189 302 HB3 CYS 40 HB1 CYS 40 56.474 34.673 31.856 303 H GLY 41 H GLY 41 54.605 34.506 32.799 304 HA2 GLY 41 HA2 GLY 41 52.335 33.572 31.276 305 HA3 GLY 41 HA1 GLY 41 52.742 33.146 32.946 306 H GLY 42 H GLY 42 50.433 33.277 33.370 307 HA2 GLY 42 HA2 GLY 42 49.556 35.431 34.738 308 HA3 GLY 42 HA1 GLY 42 49.068 35.827 33.087 309 H ASN 43 H ASN 43 46.918 35.719 34.075 310 HA ASN 43 HA ASN 43 45.660 33.148 33.446 311 HB2 ASN 43 HB2 ASN 43 46.374 32.843 35.771 312 HB3 ASN 43 HB1 ASN 43 45.595 34.375 36.242 313 HD21 ASN 43 1HD2 ASN 43 44.404 33.228 37.822 314 HD22 ASN 43 2HD2 ASN 43 43.023 32.297 37.316 315 H ALA 44 H ALA 44 43.194 33.419 33.736 316 HA ALA 44 HA ALA 44 42.287 35.936 32.572 317 HB1 ALA 44 HB1 ALA 44 40.065 34.796 32.661 318 HB2 ALA 44 HB2 ALA 44 41.321 33.854 31.838 319 HB3 ALA 44 HB3 ALA 44 40.859 33.428 33.490 320 H ASN 45 H ASN 45 43.075 35.254 35.730 321 HA ASN 45 HA ASN 45 41.073 37.136 36.816 322 HB2 ASN 45 HB2 ASN 45 42.731 34.939 37.944 323 HB3 ASN 45 HB1 ASN 45 42.772 36.371 38.912 324 HD21 ASN 45 1HD2 ASN 45 39.728 36.528 37.541 325 HD22 ASN 45 2HD2 ASN 45 38.922 35.661 38.857 326 H ASN 46 H ASN 46 43.399 37.902 35.000 327 HA ASN 46 HA ASN 46 44.785 39.816 36.733 328 HB2 ASN 46 HB2 ASN 46 45.994 40.431 34.805 329 HB3 ASN 46 HB1 ASN 46 45.826 38.681 34.706 330 HD21 ASN 46 1HD2 ASN 46 44.339 37.817 32.998 331 HD22 ASN 46 2HD2 ASN 46 43.814 38.934 31.735 332 H PHE 47 H PHE 47 43.659 41.508 37.547 333 HA PHE 47 HA PHE 47 41.865 43.044 35.697 334 HB2 PHE 47 HB2 PHE 47 41.736 43.061 38.705 335 HB3 PHE 47 HB1 PHE 47 40.548 43.688 37.570 336 HD1 PHE 47 HD1 PHE 47 40.424 41.164 35.743 337 HD2 PHE 47 HD2 PHE 47 40.350 41.734 40.001 338 HE1 PHE 47 HE1 PHE 47 39.379 38.974 35.998 339 HE2 PHE 47 HE2 PHE 47 38.946 39.735 40.198 340 HZ PHE 47 HZ PHE 47 38.494 38.280 38.252 341 H GLU 48 H GLU 48 42.025 45.304 35.705 342 HA GLU 48 HA GLU 48 44.600 46.375 36.503 343 HB2 GLU 48 HB2 GLU 48 42.090 47.753 35.490 344 HB3 GLU 48 HB1 GLU 48 43.708 48.463 35.591 345 HG2 GLU 48 HG2 GLU 48 44.559 46.679 34.051 346 HG3 GLU 48 HG1 GLU 48 42.911 46.039 33.890 347 H THR 49 H THR 49 41.323 46.669 37.828 348 HA THR 49 HA THR 49 42.402 47.575 40.408 349 HB THR 49 HB THR 49 40.839 49.465 40.582 350 HG1 THR 49 HG1 THR 49 40.683 49.639 37.848 351 HG21 THR 49 1HG2 THR 49 42.102 51.123 39.433 352 HG22 THR 49 2HG2 THR 49 43.220 49.884 40.018 353 HG23 THR 49 3HG2 THR 49 42.774 49.940 38.309 354 H ARG 50 H ARG 50 40.561 47.889 41.991 355 HA ARG 50 HA ARG 50 38.856 45.650 42.213 356 HB2 ARG 50 HB2 ARG 50 38.403 48.422 43.397 357 HB3 ARG 50 HB1 ARG 50 37.642 46.914 43.936 358 HG2 ARG 50 HG2 ARG 50 39.931 46.005 44.484 359 HG3 ARG 50 HG1 ARG 50 40.600 47.584 44.043 360 HD2 ARG 50 HD2 ARG 50 40.434 47.519 46.400 361 HD3 ARG 50 HD1 ARG 50 39.235 48.668 45.804 362 HE ARG 50 HE ARG 50 37.711 46.449 46.009 363 HH11 ARG 50 1HH1 ARG 50 39.895 47.894 48.339 364 HH12 ARG 50 2HH1 ARG 50 38.988 47.348 49.703 365 HH21 ARG 50 1HH2 ARG 50 36.534 45.793 47.828 366 HH22 ARG 50 2HH2 ARG 50 37.133 46.187 49.409 367 H ALA 51 H ALA 51 38.345 48.515 40.255 368 HA ALA 51 HA ALA 51 35.477 48.395 40.109 369 HB1 ALA 51 HB1 ALA 51 35.796 49.880 38.171 370 HB2 ALA 51 HB2 ALA 51 36.799 50.403 39.530 371 HB3 ALA 51 HB3 ALA 51 37.536 49.540 38.166 372 H GLU 52 H GLU 52 38.061 47.139 37.913 373 HA GLU 52 HA GLU 52 36.263 45.605 36.250 374 HB2 GLU 52 HB2 GLU 52 38.450 46.293 35.442 375 HB3 GLU 52 HB1 GLU 52 39.254 45.436 36.760 376 HG2 GLU 52 HG2 GLU 52 39.415 44.141 34.696 377 HG3 GLU 52 HG1 GLU 52 38.451 43.264 35.869 378 H CYS 53 H CYS 53 38.297 44.772 39.103 379 HA CYS 53 HA CYS 53 37.773 42.093 39.339 380 HB2 CYS 53 HB2 CYS 53 39.104 43.716 40.812 381 HB3 CYS 53 HB1 CYS 53 37.586 44.028 41.671 382 H ARG 54 H ARG 54 35.477 44.645 40.098 383 HA ARG 54 HA ARG 54 33.379 42.797 40.991 384 HB2 ARG 54 HB2 ARG 54 33.295 45.725 40.182 385 HB3 ARG 54 HB1 ARG 54 31.904 44.807 40.737 386 HG2 ARG 54 HG2 ARG 54 33.061 44.412 42.931 387 HG3 ARG 54 HG1 ARG 54 34.442 45.330 42.356 388 HD2 ARG 54 HD2 ARG 54 33.065 46.754 43.736 389 HD3 ARG 54 HD1 ARG 54 32.998 47.310 42.053 390 HE ARG 54 HE ARG 54 30.865 45.431 42.695 391 HH11 ARG 54 1HH1 ARG 54 31.681 48.832 42.893 392 HH12 ARG 54 2HH1 ARG 54 30.019 49.332 42.979 393 HH21 ARG 54 1HH2 ARG 54 28.761 46.122 42.872 394 HH22 ARG 54 2HH2 ARG 54 28.399 47.822 42.981 395 H HIS 55 H HIS 55 34.040 44.520 37.929 396 HA HIS 55 HA HIS 55 31.575 43.627 36.652 397 HB2 HIS 55 HB2 HIS 55 34.176 44.784 35.611 398 HB3 HIS 55 HB1 HIS 55 32.886 44.282 34.546 399 HD1 HIS 55 HD1 HIS 55 33.561 46.818 37.344 400 HD2 HIS 55 HD2 HIS 55 31.056 46.031 34.066 401 HE1 HIS 55 HE1 HIS 55 32.138 48.948 37.021 402 HE2 HIS 55 HE2 HIS 55 30.658 48.493 34.962 403 H THR 56 H THR 56 34.811 42.177 36.880 404 HA THR 56 HA THR 56 34.212 39.953 35.263 405 HB THR 56 HB THR 56 36.106 40.059 37.651 406 HG1 THR 56 HG1 THR 56 37.597 40.755 36.098 407 HG21 THR 56 1HG2 THR 56 37.336 38.455 36.109 408 HG22 THR 56 2HG2 THR 56 35.872 37.797 36.821 409 HG23 THR 56 3HG2 THR 56 35.885 38.363 35.130 410 H CYS 57 H CYS 57 34.051 40.132 38.870 411 HA CYS 57 HA CYS 57 32.442 37.592 38.795 412 HB2 CYS 57 HB2 CYS 57 35.040 38.034 39.925 413 HB3 CYS 57 HB1 CYS 57 33.924 37.828 41.264 414 H VAL 58 H VAL 58 32.996 40.606 40.649 415 HA VAL 58 HA VAL 58 30.514 40.060 42.201 416 HB VAL 58 HB VAL 58 32.256 42.471 42.670 417 HG11 VAL 58 1HG1 VAL 58 31.341 42.307 44.923 418 HG12 VAL 58 2HG1 VAL 58 30.024 42.384 43.746 419 HG13 VAL 58 3HG1 VAL 58 30.459 40.826 44.479 420 HG21 VAL 58 1HG2 VAL 58 33.400 41.185 44.456 421 HG22 VAL 58 2HG2 VAL 58 32.653 39.704 43.805 422 HG23 VAL 58 3HG2 VAL 58 33.823 40.621 42.835 423 H ALA 59 H ALA 59 29.672 40.264 39.783 424 HA ALA 59 HA ALA 59 28.012 42.635 39.775 425 HB1 ALA 59 HB1 ALA 59 28.687 43.379 37.486 426 HB2 ALA 59 HB2 ALA 59 30.025 43.562 38.632 427 HB3 ALA 59 HB3 ALA 59 29.997 42.189 37.495 428 H SER 60 H SER 60 26.397 42.530 38.003 429 HA SER 60 HA SER 60 26.154 39.907 36.614 430 HB2 SER 60 HB2 SER 60 24.745 39.722 38.597 431 HB3 SER 60 HB1 SER 60 23.942 41.261 38.207 432 HG SER 60 HG SER 60 23.370 38.839 37.322 433 H ARG 61 H ARG 61 26.095 40.342 34.521 434 HA ARG 61 HA ARG 61 24.685 42.770 33.508 435 HB2 ARG 61 HB2 ARG 61 27.569 41.998 32.866 436 HB3 ARG 61 HB1 ARG 61 26.579 43.015 31.804 437 HG2 ARG 61 HG2 ARG 61 26.192 44.590 33.703 438 HG3 ARG 61 HG1 ARG 61 27.383 43.682 34.659 439 HD2 ARG 61 HD2 ARG 61 29.135 44.178 33.062 440 HD3 ARG 61 HD1 ARG 61 27.968 44.776 31.877 441 HE ARG 61 HE ARG 61 28.137 46.182 34.488 442 HH11 ARG 61 1HH1 ARG 61 28.875 46.333 31.051 443 HH12 ARG 61 2HH1 ARG 61 29.015 48.053 31.040 444 HH21 ARG 61 1HH2 ARG 61 28.110 48.431 34.322 445 HH22 ARG 61 2HH2 ARG 61 28.659 49.188 32.871 446 H LYS 62 H LYS 62 23.188 40.899 33.352 447 HA LYS 62 HA LYS 62 21.915 39.536 32.000 448 HB2 LYS 62 HB2 LYS 62 23.611 40.551 29.651 449 HB3 LYS 62 HB1 LYS 62 22.133 39.630 29.554 450 HG2 LYS 62 HG2 LYS 62 21.483 41.749 29.036 451 HG3 LYS 62 HG1 LYS 62 20.901 41.503 30.675 452 HD2 LYS 62 HD2 LYS 62 22.744 42.915 31.548 453 HD3 LYS 62 HD1 LYS 62 23.426 43.071 29.931 454 HE2 LYS 62 HE2 LYS 62 20.657 44.004 30.844 455 HE3 LYS 62 HE1 LYS 62 22.080 45.043 30.740 456 HZ1 LYS 62 HZ1 LYS 62 20.688 45.259 28.782 457 HZ2 LYS 62 HZ2 LYS 62 22.137 44.627 28.342 458 HZ3 LYS 62 HZ3 LYS 62 20.805 43.668 28.438 459 H GLY 63 H GLY 63 22.504 37.791 30.016 460 HA2 GLY 63 HA2 GLY 63 24.245 36.070 29.454 461 HA3 GLY 63 HA1 GLY 63 24.661 36.044 31.173 462 H GLY 64 H GLY 64 23.224 34.229 29.018 463 HA2 GLY 64 HA2 GLY 64 21.496 32.834 30.918 464 HA3 GLY 64 HA1 GLY 64 20.622 33.571 29.569 465 HA PRO 65 HA PRO 65 21.901 30.074 27.102 466 HB2 PRO 65 HB1 PRO 65 22.072 30.978 24.552 467 HB3 PRO 65 HB2 PRO 65 20.543 31.041 25.472 468 HG2 PRO 65 HG1 PRO 65 22.571 33.280 25.117 469 HG3 PRO 65 HG2 PRO 65 20.796 33.329 24.822 470 HD2 PRO 65 HD1 PRO 65 21.900 34.175 27.172 471 HD3 PRO 65 HD2 PRO 65 20.321 33.345 27.123 472 H ARG 66 H ARG 66 23.933 30.318 28.522 473 HA ARG 66 HA ARG 66 26.398 30.433 26.790 474 HB2 ARG 66 HB2 ARG 66 25.874 31.540 29.547 475 HB3 ARG 66 HB1 ARG 66 27.429 30.759 29.290 476 HG2 ARG 66 HG2 ARG 66 27.727 33.088 28.910 477 HG3 ARG 66 HG1 ARG 66 27.917 32.235 27.366 478 HD2 ARG 66 HD2 ARG 66 25.670 32.873 26.689 479 HD3 ARG 66 HD1 ARG 66 25.359 33.617 28.272 480 HE ARG 66 HE ARG 66 27.641 34.864 27.174 481 HH11 ARG 66 1HH1 ARG 66 24.392 34.422 26.060 482 HH12 ARG 66 2HH1 ARG 66 24.287 35.970 25.304 483 HH21 ARG 66 1HH2 ARG 66 27.544 36.801 26.027 484 HH22 ARG 66 2HH2 ARG 66 26.079 37.270 25.237 485 H ARG 67 H ARG 67 24.407 28.317 28.366 486 HA ARG 67 HA ARG 67 26.572 26.268 28.604 487 HB2 ARG 67 HB2 ARG 67 25.838 27.033 30.848 488 HB3 ARG 67 HB1 ARG 67 24.165 26.652 30.435 489 HG2 ARG 67 HG2 ARG 67 24.954 24.221 30.027 490 HG3 ARG 67 HG1 ARG 67 26.532 24.723 30.657 491 HD2 ARG 67 HD2 ARG 67 25.296 23.697 32.435 492 HD3 ARG 67 HD1 ARG 67 25.399 25.438 32.783 493 HE ARG 67 HE ARG 67 23.008 24.674 31.297 494 HH11 ARG 67 1HH1 ARG 67 24.274 24.692 34.553 495 HH12 ARG 67 2HH1 ARG 67 22.689 24.764 35.292 496 HH21 ARG 67 1HH2 ARG 67 21.018 24.737 32.278 497 HH22 ARG 67 2HH2 ARG 67 20.874 24.781 34.016 498 HA PRO 68 HA PRO 68 23.544 24.820 25.447 499 HB2 PRO 68 HB1 PRO 68 25.958 23.168 24.748 500 HB3 PRO 68 HB2 PRO 68 24.859 24.076 23.674 501 HG2 PRO 68 HG1 PRO 68 27.349 25.017 24.241 502 HG3 PRO 68 HG2 PRO 68 25.950 26.137 24.171 503 HD2 PRO 68 HD1 PRO 68 27.212 24.863 26.619 504 HD3 PRO 68 HD2 PRO 68 26.777 26.582 26.336 Start of MODEL 12 1 H PCA 1 H PGA 1 28.074 27.191 39.756 2 HA PCA 1 HA PGA 1 29.102 29.362 40.938 3 HB2 PCA 1 HB1 PGA 1 31.025 29.180 38.603 4 HB3 PCA 1 HB2 PGA 1 31.315 29.833 40.238 5 HG2 PCA 1 HG1 PGA 1 32.092 27.292 39.413 6 HG3 PCA 1 HG2 PGA 1 31.671 27.662 41.118 7 H ASP 2 H ASP 2 27.633 30.941 40.345 8 HA ASP 2 HA ASP 2 26.598 31.283 37.724 9 HB2 ASP 2 HB2 ASP 2 26.774 33.328 39.980 10 HB3 ASP 2 HB1 ASP 2 25.603 33.315 38.664 11 H ARG 3 H ARG 3 29.639 32.135 38.796 12 HA ARG 3 HA ARG 3 29.973 34.462 36.938 13 HB2 ARG 3 HB2 ARG 3 31.732 34.220 39.363 14 HB3 ARG 3 HB1 ARG 3 31.241 35.650 38.475 15 HG2 ARG 3 HG2 ARG 3 29.646 34.149 40.559 16 HG3 ARG 3 HG1 ARG 3 30.371 35.737 40.705 17 HD2 ARG 3 HD2 ARG 3 27.963 34.978 39.015 18 HD3 ARG 3 HD1 ARG 3 27.994 35.976 40.457 19 HE ARG 3 HE ARG 3 29.695 37.244 38.670 20 HH11 ARG 3 1HH1 ARG 3 26.340 36.351 38.692 21 HH12 ARG 3 2HH1 ARG 3 25.834 37.607 37.627 22 HH21 ARG 3 1HH2 ARG 3 29.071 38.648 37.039 23 HH22 ARG 3 2HH2 ARG 3 27.386 38.900 36.676 24 HA PRO 4 HA PRO 4 33.122 32.147 35.102 25 HB2 PRO 4 HB1 PRO 4 35.525 33.423 35.031 26 HB3 PRO 4 HB2 PRO 4 34.101 33.945 34.089 27 HG2 PRO 4 HG1 PRO 4 35.167 35.072 36.652 28 HG3 PRO 4 HG2 PRO 4 34.481 35.930 35.250 29 HD2 PRO 4 HD1 PRO 4 33.114 35.356 37.571 30 HD3 PRO 4 HD2 PRO 4 32.297 35.600 35.988 31 H LYS 5 H LYS 5 34.357 30.393 35.463 32 HA LYS 5 HA LYS 5 35.093 29.679 38.124 33 HB2 LYS 5 HB2 LYS 5 35.868 27.626 37.240 34 HB3 LYS 5 HB1 LYS 5 34.404 28.070 36.369 35 HG2 LYS 5 HG2 LYS 5 35.731 28.822 34.433 36 HG3 LYS 5 HG1 LYS 5 37.245 28.529 35.293 37 HD2 LYS 5 HD2 LYS 5 35.225 26.371 34.599 38 HD3 LYS 5 HD1 LYS 5 36.674 26.753 33.663 39 HE2 LYS 5 HE2 LYS 5 38.094 26.271 35.655 40 HE3 LYS 5 HE1 LYS 5 36.646 25.829 36.571 41 HZ1 LYS 5 HZ1 LYS 5 37.741 23.878 35.653 42 HZ2 LYS 5 HZ2 LYS 5 36.265 24.045 34.966 43 HZ3 LYS 5 HZ3 LYS 5 37.620 24.448 34.128 44 H PHE 6 H PHE 6 37.036 31.295 35.675 45 HA PHE 6 HA PHE 6 39.579 30.493 36.748 46 HB2 PHE 6 HB2 PHE 6 40.491 32.457 35.590 47 HB3 PHE 6 HB1 PHE 6 39.541 31.401 34.569 48 HD1 PHE 6 HD1 PHE 6 39.172 34.539 36.631 49 HD2 PHE 6 HD2 PHE 6 38.056 32.412 33.056 50 HE1 PHE 6 HE1 PHE 6 37.844 36.486 35.894 51 HE2 PHE 6 HE2 PHE 6 36.789 34.399 32.279 52 HZ PHE 6 HZ PHE 6 36.662 36.426 33.708 53 H CYS 7 H CYS 7 37.205 32.790 37.952 54 HA CYS 7 HA CYS 7 38.796 34.355 39.688 55 HB2 CYS 7 HB2 CYS 7 35.989 33.249 39.867 56 HB3 CYS 7 HB1 CYS 7 36.695 34.258 41.094 57 H TYR 8 H TYR 8 38.176 30.924 39.910 58 HA TYR 8 HA TYR 8 38.783 30.814 42.786 59 HB2 TYR 8 HB2 TYR 8 38.134 28.660 40.742 60 HB3 TYR 8 HB1 TYR 8 38.388 28.384 42.454 61 HD1 TYR 8 HD1 TYR 8 36.185 30.385 40.116 62 HD2 TYR 8 HD2 TYR 8 36.575 28.430 43.933 63 HE1 TYR 8 HE1 TYR 8 33.781 30.797 40.555 64 HE2 TYR 8 HE2 TYR 8 34.162 28.822 44.362 65 HH TYR 8 HH TYR 8 32.193 29.653 43.532 66 H LEU 9 H LEU 9 40.770 31.573 40.445 67 HA LEU 9 HA LEU 9 42.940 29.650 41.120 68 HB2 LEU 9 HB2 LEU 9 42.584 31.635 38.894 69 HB3 LEU 9 HB1 LEU 9 43.998 30.589 39.105 70 HG LEU 9 HG LEU 9 41.155 29.589 38.591 71 HD11 LEU 9 1HD1 LEU 9 41.879 29.210 36.293 72 HD12 LEU 9 2HD1 LEU 9 42.058 30.929 36.704 73 HD13 LEU 9 3HD1 LEU 9 43.487 29.878 36.656 74 HD21 LEU 9 1HD2 LEU 9 42.314 27.475 38.007 75 HD22 LEU 9 2HD2 LEU 9 43.869 28.195 38.488 76 HD23 LEU 9 3HD2 LEU 9 42.594 27.920 39.695 77 HA PRO 10 HA PRO 10 44.193 33.044 43.945 78 HB2 PRO 10 HB1 PRO 10 46.690 31.357 43.752 79 HB3 PRO 10 HB2 PRO 10 45.982 32.170 45.192 80 HG2 PRO 10 HG1 PRO 10 45.570 29.529 44.813 81 HG3 PRO 10 HG2 PRO 10 44.191 30.569 45.302 82 HD2 PRO 10 HD1 PRO 10 44.890 29.541 42.536 83 HD3 PRO 10 HD2 PRO 10 43.291 29.635 43.349 84 H ASP 11 H ASP 11 45.843 34.784 43.858 85 HA ASP 11 HA ASP 11 46.002 35.885 41.269 86 HB2 ASP 11 HB2 ASP 11 47.640 37.435 42.237 87 HB3 ASP 11 HB1 ASP 11 46.179 37.304 43.187 88 H ASP 12 H ASP 12 47.114 35.280 39.585 89 HA ASP 12 HA ASP 12 49.687 33.824 39.930 90 HB2 ASP 12 HB2 ASP 12 47.735 32.544 39.081 91 HB3 ASP 12 HB1 ASP 12 47.678 33.617 37.678 92 HA PRO 13 HA PRO 13 50.775 37.852 37.827 93 HB2 PRO 13 HB1 PRO 13 53.203 38.115 39.196 94 HB3 PRO 13 HB2 PRO 13 51.646 38.775 39.739 95 HG2 PRO 13 HG1 PRO 13 52.915 36.231 40.646 96 HG3 PRO 13 HG2 PRO 13 52.164 37.524 41.625 97 HD2 PRO 13 HD1 PRO 13 50.824 35.292 40.978 98 HD3 PRO 13 HD2 PRO 13 49.982 36.877 40.979 99 H GLY 14 H GLY 14 52.003 34.694 38.054 100 HA2 GLY 14 HA2 GLY 14 53.080 33.518 36.340 101 HA3 GLY 14 HA1 GLY 14 53.713 35.030 35.685 102 H VAL 15 H VAL 15 55.744 34.002 35.560 103 HA VAL 15 HA VAL 15 57.102 33.340 38.143 104 HB VAL 15 HB VAL 15 58.751 32.156 36.812 105 HG11 VAL 15 1HG1 VAL 15 57.330 30.321 36.065 106 HG12 VAL 15 2HG1 VAL 15 56.682 31.006 37.568 107 HG13 VAL 15 3HG1 VAL 15 55.903 31.381 36.023 108 HG21 VAL 15 1HG2 VAL 15 58.476 31.788 34.412 109 HG22 VAL 15 2HG2 VAL 15 57.090 32.867 34.351 110 HG23 VAL 15 3HG2 VAL 15 58.717 33.506 34.715 111 H CYS 16 H CYS 16 57.229 35.775 35.699 112 HA CYS 16 HA CYS 16 60.013 36.543 36.176 113 HB2 CYS 16 HB2 CYS 16 57.772 37.616 34.495 114 HB3 CYS 16 HB1 CYS 16 59.147 38.662 34.856 115 H LYS 17 H LYS 17 60.816 38.231 37.302 116 HA LYS 17 HA LYS 17 59.060 39.311 39.474 117 HB2 LYS 17 HB2 LYS 17 62.086 38.989 39.327 118 HB3 LYS 17 HB1 LYS 17 61.212 39.807 40.612 119 HG2 LYS 17 HG2 LYS 17 61.567 37.717 41.521 120 HG3 LYS 17 HG1 LYS 17 59.910 37.604 40.946 121 HD2 LYS 17 HD2 LYS 17 60.764 36.401 38.907 122 HD3 LYS 17 HD1 LYS 17 62.399 36.495 39.572 123 HE2 LYS 17 HE2 LYS 17 61.747 35.117 41.474 124 HE3 LYS 17 HE1 LYS 17 60.036 35.226 41.004 125 HZ1 LYS 17 HZ1 LYS 17 60.978 33.128 40.275 126 HZ2 LYS 17 HZ2 LYS 17 60.529 34.050 38.986 127 HZ3 LYS 17 HZ3 LYS 17 62.132 33.889 39.375 128 H ALA 18 H ALA 18 58.134 40.764 37.905 129 HA ALA 18 HA ALA 18 59.836 43.188 37.476 130 HB1 ALA 18 HB1 ALA 18 58.533 43.784 35.605 131 HB2 ALA 18 HB2 ALA 18 58.880 42.052 35.406 132 HB3 ALA 18 HB3 ALA 18 57.283 42.592 35.980 133 H HIS 19 H HIS 19 57.205 44.692 37.009 134 HA HIS 19 HA HIS 19 55.957 44.653 39.623 135 HB2 HIS 19 HB2 HIS 19 58.224 45.923 39.839 136 HB3 HIS 19 HB1 HIS 19 57.433 47.232 38.976 137 HD1 HIS 19 HD1 HIS 19 58.008 46.000 42.344 138 HD2 HIS 19 HD2 HIS 19 54.878 47.940 40.296 139 HE1 HIS 19 HE1 HIS 19 56.519 47.085 44.171 140 HE2 HIS 19 HE2 HIS 19 54.588 48.248 42.895 141 H ILE 20 H ILE 20 54.027 44.356 38.355 142 HA ILE 20 HA ILE 20 53.023 46.948 37.223 143 HB ILE 20 HB ILE 20 52.245 44.212 36.217 144 HG12 ILE 20 2HG1 ILE 20 54.443 46.049 35.261 145 HG13 ILE 20 1HG1 ILE 20 54.565 44.349 35.716 146 HG21 ILE 20 1HG2 ILE 20 51.326 45.570 34.350 147 HG22 ILE 20 2HG2 ILE 20 50.608 46.035 35.886 148 HG23 ILE 20 3HG2 ILE 20 51.877 47.040 35.155 149 HD11 ILE 20 HD1 ILE 20 54.747 44.435 33.367 150 HD12 ILE 20 HD2 ILE 20 53.114 43.829 33.673 151 HD13 ILE 20 HD3 ILE 20 53.362 45.522 33.196 152 HA PRO 21 HA PRO 21 50.139 46.335 40.702 153 HB2 PRO 21 HB1 PRO 21 48.842 48.700 39.357 154 HB3 PRO 21 HB2 PRO 21 49.155 48.426 41.090 155 HG2 PRO 21 HG1 PRO 21 50.765 50.070 39.664 156 HG3 PRO 21 HG2 PRO 21 51.488 48.907 40.823 157 HD2 PRO 21 HD1 PRO 21 51.207 48.647 37.810 158 HD3 PRO 21 HD2 PRO 21 52.627 48.316 38.848 159 H ARG 22 H ARG 22 48.694 44.712 40.561 160 HA ARG 22 HA ARG 22 46.548 44.828 38.520 161 HB2 ARG 22 HB2 ARG 22 48.672 43.340 37.915 162 HB3 ARG 22 HB1 ARG 22 48.014 42.239 39.112 163 HG2 ARG 22 HG2 ARG 22 47.246 41.512 36.958 164 HG3 ARG 22 HG1 ARG 22 45.853 42.198 37.764 165 HD2 ARG 22 HD2 ARG 22 45.807 43.004 35.497 166 HD3 ARG 22 HD1 ARG 22 46.306 44.377 36.482 167 HE ARG 22 HE ARG 22 48.588 42.884 35.551 168 HH11 ARG 22 1HH1 ARG 22 46.130 45.132 34.213 169 HH12 ARG 22 2HH1 ARG 22 47.230 45.799 33.124 170 HH21 ARG 22 1HH2 ARG 22 49.820 43.610 33.864 171 HH22 ARG 22 2HH2 ARG 22 49.213 44.907 32.855 172 H PHE 23 H PHE 23 44.797 43.296 39.040 173 HA PHE 23 HA PHE 23 44.516 42.790 41.965 174 HB2 PHE 23 HB2 PHE 23 42.626 44.221 40.085 175 HB3 PHE 23 HB1 PHE 23 42.117 43.577 41.636 176 HD1 PHE 23 HD1 PHE 23 42.334 44.916 43.567 177 HD2 PHE 23 HD2 PHE 23 44.616 45.904 40.047 178 HE1 PHE 23 HE1 PHE 23 43.066 47.072 44.612 179 HE2 PHE 23 HE2 PHE 23 45.327 48.019 41.083 180 HZ PHE 23 HZ PHE 23 44.523 48.628 43.344 181 H TYR 24 H TYR 24 42.964 41.190 42.541 182 HA TYR 24 HA TYR 24 41.985 39.401 40.383 183 HB2 TYR 24 HB2 TYR 24 43.741 38.027 40.578 184 HB3 TYR 24 HB1 TYR 24 44.406 38.946 41.846 185 HD1 TYR 24 HD1 TYR 24 43.999 38.547 44.125 186 HD2 TYR 24 HD2 TYR 24 42.645 35.809 41.126 187 HE1 TYR 24 HE1 TYR 24 43.622 36.778 45.891 188 HE2 TYR 24 HE2 TYR 24 42.159 34.139 42.838 189 HH TYR 24 HH TYR 24 42.315 33.601 45.003 190 H TYR 25 H TYR 25 40.389 37.835 41.147 191 HA TYR 25 HA TYR 25 38.791 38.977 43.381 192 HB2 TYR 25 HB2 TYR 25 37.542 38.486 41.192 193 HB3 TYR 25 HB1 TYR 25 37.960 36.803 41.423 194 HD1 TYR 25 HD1 TYR 25 36.477 39.739 43.255 195 HD2 TYR 25 HD2 TYR 25 36.354 35.533 42.542 196 HE1 TYR 25 HE1 TYR 25 34.485 39.534 44.745 197 HE2 TYR 25 HE2 TYR 25 34.275 35.325 43.901 198 HH TYR 25 HH TYR 25 32.765 36.482 45.306 199 H ASN 26 H ASN 26 38.427 37.830 45.256 200 HA ASN 26 HA ASN 26 39.841 35.194 45.507 201 HB2 ASN 26 HB2 ASN 26 39.218 37.173 47.707 202 HB3 ASN 26 HB1 ASN 26 40.227 35.751 47.816 203 HD21 ASN 26 1HD2 ASN 26 40.482 38.366 45.331 204 HD22 ASN 26 2HD2 ASN 26 42.078 38.788 45.879 205 HA PRO 27 HA PRO 27 35.220 34.438 45.779 206 HB2 PRO 27 HB1 PRO 27 36.298 31.628 45.447 207 HB3 PRO 27 HB2 PRO 27 34.817 32.345 44.760 208 HG2 PRO 27 HG1 PRO 27 37.043 32.052 43.274 209 HG3 PRO 27 HG2 PRO 27 36.045 33.522 43.144 210 HD2 PRO 27 HD1 PRO 27 38.676 33.138 44.600 211 HD3 PRO 27 HD2 PRO 27 38.066 34.547 43.680 212 H ALA 28 H ALA 28 37.831 32.525 47.305 213 HA ALA 28 HA ALA 28 36.524 31.265 49.350 214 HB1 ALA 28 HB1 ALA 28 38.708 31.352 50.528 215 HB2 ALA 28 HB2 ALA 28 38.919 31.011 48.808 216 HB3 ALA 28 HB3 ALA 28 39.263 32.635 49.435 217 H SER 29 H SER 29 37.834 34.580 49.626 218 HA SER 29 HA SER 29 36.216 34.987 52.114 219 HB2 SER 29 HB2 SER 29 38.588 35.248 52.402 220 HB3 SER 29 HB1 SER 29 38.680 36.383 51.061 221 HG SER 29 HG SER 29 37.174 36.839 53.430 222 H ASN 30 H ASN 30 35.592 35.293 49.013 223 HA ASN 30 HA ASN 30 34.503 36.668 47.602 224 HB2 ASN 30 HB2 ASN 30 32.873 35.699 49.265 225 HB3 ASN 30 HB1 ASN 30 32.873 37.255 50.105 226 HD21 ASN 30 1HD2 ASN 30 32.312 39.133 48.616 227 HD22 ASN 30 2HD2 ASN 30 31.072 38.781 47.375 228 H LYS 31 H LYS 31 36.774 37.973 48.067 229 HA LYS 31 HA LYS 31 35.919 40.783 47.795 230 HB2 LYS 31 HB2 LYS 31 37.086 41.783 49.452 231 HB3 LYS 31 HB1 LYS 31 36.588 40.335 50.289 232 HG2 LYS 31 HG2 LYS 31 39.361 40.851 49.090 233 HG3 LYS 31 HG1 LYS 31 38.912 41.011 50.778 234 HD2 LYS 31 HD2 LYS 31 38.445 38.671 50.972 235 HD3 LYS 31 HD1 LYS 31 38.645 38.409 49.261 236 HE2 LYS 31 HE2 LYS 31 40.649 37.612 50.261 237 HE3 LYS 31 HE1 LYS 31 41.066 39.119 49.452 238 HZ1 LYS 31 HZ1 LYS 31 41.978 38.979 51.705 239 HZ2 LYS 31 HZ2 LYS 31 40.930 40.240 51.618 240 HZ3 LYS 31 HZ3 LYS 31 40.474 38.831 52.345 241 H CYS 32 H CYS 32 37.903 42.205 47.191 242 HA CYS 32 HA CYS 32 39.587 40.669 45.257 243 HB2 CYS 32 HB2 CYS 32 38.879 43.602 45.096 244 HB3 CYS 32 HB1 CYS 32 39.683 42.604 43.882 245 H LYS 33 H LYS 33 41.786 41.113 45.208 246 HA LYS 33 HA LYS 33 42.878 43.049 47.196 247 HB2 LYS 33 HB2 LYS 33 44.531 41.636 48.000 248 HB3 LYS 33 HB1 LYS 33 43.098 40.606 47.998 249 HG2 LYS 33 HG2 LYS 33 43.843 39.619 45.862 250 HG3 LYS 33 HG1 LYS 33 45.305 40.620 45.876 251 HD2 LYS 33 HD2 LYS 33 45.904 39.547 48.110 252 HD3 LYS 33 HD1 LYS 33 44.558 38.432 47.842 253 HE2 LYS 33 HE2 LYS 33 46.404 37.229 47.055 254 HE3 LYS 33 HE1 LYS 33 45.672 37.826 45.587 255 HZ1 LYS 33 HZ1 LYS 33 48.041 38.052 45.575 256 HZ2 LYS 33 HZ2 LYS 33 47.411 39.568 45.542 257 HZ3 LYS 33 HZ3 LYS 33 48.075 38.949 46.920 258 H GLU 34 H GLU 34 45.155 43.596 46.706 259 HA GLU 34 HA GLU 34 45.597 43.952 43.788 260 HB2 GLU 34 HB2 GLU 34 45.459 45.951 45.317 261 HB3 GLU 34 HB1 GLU 34 46.895 45.357 46.141 262 HG2 GLU 34 HG2 GLU 34 48.153 45.484 43.985 263 HG3 GLU 34 HG1 GLU 34 46.696 46.089 43.181 264 H PHE 35 H PHE 35 47.355 43.006 42.854 265 HA PHE 35 HA PHE 35 49.448 41.762 44.515 266 HB2 PHE 35 HB2 PHE 35 49.437 39.692 43.464 267 HB3 PHE 35 HB1 PHE 35 47.737 39.976 43.771 268 HD1 PHE 35 HD1 PHE 35 46.155 40.220 41.940 269 HD2 PHE 35 HD2 PHE 35 50.356 39.854 41.180 270 HE1 PHE 35 HE1 PHE 35 45.672 39.671 39.569 271 HE2 PHE 35 HE2 PHE 35 49.872 39.454 38.776 272 HZ PHE 35 HZ PHE 35 47.540 39.243 37.988 273 H ILE 36 H ILE 36 51.466 41.543 43.334 274 HA ILE 36 HA ILE 36 51.660 43.563 41.149 275 HB ILE 36 HB ILE 36 53.697 42.414 43.067 276 HG12 ILE 36 2HG1 ILE 36 52.474 44.352 43.893 277 HG13 ILE 36 1HG1 ILE 36 54.129 44.796 43.531 278 HG21 ILE 36 1HG2 ILE 36 55.385 43.811 41.777 279 HG22 ILE 36 2HG2 ILE 36 54.873 42.322 41.004 280 HG23 ILE 36 3HG2 ILE 36 54.184 43.857 40.459 281 HD11 ILE 36 HD1 ILE 36 52.722 46.593 42.815 282 HD12 ILE 36 HD2 ILE 36 53.270 45.798 41.322 283 HD13 ILE 36 HD3 ILE 36 51.628 45.509 41.961 284 H TYR 37 H TYR 37 51.567 42.965 39.217 285 HA TYR 37 HA TYR 37 52.106 40.222 38.361 286 HB2 TYR 37 HB2 TYR 37 50.134 41.394 37.605 287 HB3 TYR 37 HB1 TYR 37 51.080 42.668 36.921 288 HD1 TYR 37 HD1 TYR 37 49.824 39.250 36.488 289 HD2 TYR 37 HD2 TYR 37 52.508 42.218 34.901 290 HE1 TYR 37 HE1 TYR 37 50.030 37.951 34.397 291 HE2 TYR 37 HE2 TYR 37 52.565 41.007 32.734 292 HH TYR 37 HH TYR 37 51.854 39.139 31.573 293 H GLY 38 H GLY 38 53.584 39.544 36.906 294 HA2 GLY 38 HA2 GLY 38 56.134 41.031 36.865 295 HA3 GLY 38 HA1 GLY 38 55.866 39.340 36.441 296 H GLY 39 H GLY 39 55.034 38.796 34.442 297 HA2 GLY 39 HA2 GLY 39 54.463 40.239 32.171 298 HA3 GLY 39 HA1 GLY 39 56.209 40.454 32.325 299 H CYS 40 H CYS 40 55.255 37.370 33.513 300 HA CYS 40 HA CYS 40 55.742 36.023 30.929 301 HB2 CYS 40 HB2 CYS 40 57.443 35.461 33.368 302 HB3 CYS 40 HB1 CYS 40 57.593 34.732 31.785 303 H GLY 41 H GLY 41 53.622 35.322 31.115 304 HA2 GLY 41 HA2 GLY 41 52.175 33.510 31.578 305 HA3 GLY 41 HA1 GLY 41 53.086 33.125 33.036 306 H GLY 42 H GLY 42 50.317 33.263 32.912 307 HA2 GLY 42 HA2 GLY 42 49.587 34.442 35.194 308 HA3 GLY 42 HA1 GLY 42 49.323 35.759 34.043 309 H ASN 43 H ASN 43 47.509 33.998 35.687 310 HA ASN 43 HA ASN 43 45.873 32.578 33.716 311 HB2 ASN 43 HB2 ASN 43 44.485 32.025 35.587 312 HB3 ASN 43 HB1 ASN 43 46.154 31.927 36.136 313 HD21 ASN 43 1HD2 ASN 43 44.241 32.090 38.021 314 HD22 ASN 43 2HD2 ASN 43 44.293 33.645 38.783 315 H ALA 44 H ALA 44 43.287 33.219 34.167 316 HA ALA 44 HA ALA 44 42.946 35.834 32.919 317 HB1 ALA 44 HB1 ALA 44 40.562 35.155 32.819 318 HB2 ALA 44 HB2 ALA 44 41.677 33.969 32.116 319 HB3 ALA 44 HB3 ALA 44 40.983 33.685 33.717 320 H ASN 45 H ASN 45 43.620 35.369 36.074 321 HA ASN 45 HA ASN 45 41.654 37.404 37.012 322 HB2 ASN 45 HB2 ASN 45 43.393 35.456 38.589 323 HB3 ASN 45 HB1 ASN 45 42.638 36.884 39.265 324 HD21 ASN 45 1HD2 ASN 45 40.178 36.860 37.870 325 HD22 ASN 45 2HD2 ASN 45 39.309 35.560 38.686 326 H ASN 46 H ASN 46 43.237 38.390 35.198 327 HA ASN 46 HA ASN 46 45.212 40.013 36.731 328 HB2 ASN 46 HB2 ASN 46 46.177 40.527 34.522 329 HB3 ASN 46 HB1 ASN 46 46.221 38.805 34.906 330 HD21 ASN 46 1HD2 ASN 46 44.900 37.340 33.604 331 HD22 ASN 46 2HD2 ASN 46 44.147 37.997 32.154 332 H PHE 47 H PHE 47 43.203 41.078 37.677 333 HA PHE 47 HA PHE 47 41.702 42.712 35.781 334 HB2 PHE 47 HB2 PHE 47 41.624 42.939 38.776 335 HB3 PHE 47 HB1 PHE 47 40.405 43.479 37.639 336 HD1 PHE 47 HD1 PHE 47 40.382 40.776 35.969 337 HD2 PHE 47 HD2 PHE 47 40.282 41.736 40.160 338 HE1 PHE 47 HE1 PHE 47 39.087 38.705 36.410 339 HE2 PHE 47 HE2 PHE 47 38.776 39.883 40.562 340 HZ PHE 47 HZ PHE 47 38.199 38.263 38.710 341 H GLU 48 H GLU 48 41.711 44.918 35.579 342 HA GLU 48 HA GLU 48 44.079 46.355 36.135 343 HB2 GLU 48 HB2 GLU 48 41.282 47.446 35.571 344 HB3 GLU 48 HB1 GLU 48 42.790 48.333 35.398 345 HG2 GLU 48 HG2 GLU 48 41.914 45.925 33.754 346 HG3 GLU 48 HG1 GLU 48 42.034 47.585 33.215 347 H THR 49 H THR 49 40.977 46.578 37.882 348 HA THR 49 HA THR 49 42.358 47.494 40.306 349 HB THR 49 HB THR 49 40.995 49.492 40.648 350 HG1 THR 49 HG1 THR 49 40.424 49.596 37.962 351 HG21 THR 49 1HG2 THR 49 42.134 51.064 39.283 352 HG22 THR 49 2HG2 THR 49 43.264 49.779 39.713 353 HG23 THR 49 3HG2 THR 49 42.560 49.833 38.085 354 H ARG 50 H ARG 50 40.705 48.017 42.061 355 HA ARG 50 HA ARG 50 38.877 45.934 42.610 356 HB2 ARG 50 HB2 ARG 50 38.605 48.812 43.579 357 HB3 ARG 50 HB1 ARG 50 37.978 47.362 44.363 358 HG2 ARG 50 HG2 ARG 50 40.336 46.575 44.731 359 HG3 ARG 50 HG1 ARG 50 40.920 48.106 44.044 360 HD2 ARG 50 HD2 ARG 50 39.167 47.832 46.512 361 HD3 ARG 50 HD1 ARG 50 40.916 48.124 46.505 362 HE ARG 50 HE ARG 50 40.024 50.199 44.985 363 HH11 ARG 50 1HH1 ARG 50 39.379 49.187 48.261 364 HH12 ARG 50 2HH1 ARG 50 38.916 50.784 48.771 365 HH21 ARG 50 1HH2 ARG 50 39.463 52.239 45.714 366 HH22 ARG 50 2HH2 ARG 50 38.965 52.468 47.359 367 H ALA 51 H ALA 51 38.357 48.589 40.397 368 HA ALA 51 HA ALA 51 35.423 48.492 40.553 369 HB1 ALA 51 HB1 ALA 51 35.556 49.985 38.587 370 HB2 ALA 51 HB2 ALA 51 36.582 50.567 39.909 371 HB3 ALA 51 HB3 ALA 51 37.309 49.755 38.510 372 H GLU 52 H GLU 52 37.934 47.423 38.199 373 HA GLU 52 HA GLU 52 36.171 45.938 36.517 374 HB2 GLU 52 HB2 GLU 52 38.313 46.699 35.760 375 HB3 GLU 52 HB1 GLU 52 39.163 45.728 36.988 376 HG2 GLU 52 HG2 GLU 52 38.390 43.653 36.000 377 HG3 GLU 52 HG1 GLU 52 37.246 44.515 34.947 378 H CYS 53 H CYS 53 38.197 44.886 39.323 379 HA CYS 53 HA CYS 53 37.729 42.200 39.194 380 HB2 CYS 53 HB2 CYS 53 38.402 42.077 41.392 381 HB3 CYS 53 HB1 CYS 53 39.000 43.673 40.975 382 H ARG 54 H ARG 54 35.381 44.552 40.127 383 HA ARG 54 HA ARG 54 33.335 42.615 40.999 384 HB2 ARG 54 HB2 ARG 54 33.196 45.603 40.419 385 HB3 ARG 54 HB1 ARG 54 31.888 44.647 41.098 386 HG2 ARG 54 HG2 ARG 54 33.299 44.095 43.081 387 HG3 ARG 54 HG1 ARG 54 34.628 45.021 42.383 388 HD2 ARG 54 HD2 ARG 54 33.602 46.414 43.974 389 HD3 ARG 54 HD1 ARG 54 33.213 47.061 42.372 390 HE ARG 54 HE ARG 54 31.177 45.233 43.192 391 HH11 ARG 54 1HH1 ARG 54 32.363 48.360 44.169 392 HH12 ARG 54 2HH1 ARG 54 30.855 48.902 44.816 393 HH21 ARG 54 1HH2 ARG 54 29.279 45.879 44.218 394 HH22 ARG 54 2HH2 ARG 54 29.105 47.539 44.753 395 H HIS 55 H HIS 55 34.005 44.594 38.095 396 HA HIS 55 HA HIS 55 31.551 43.780 36.716 397 HB2 HIS 55 HB2 HIS 55 34.080 45.201 35.864 398 HB3 HIS 55 HB1 HIS 55 32.879 44.661 34.707 399 HD1 HIS 55 HD1 HIS 55 31.309 46.538 34.076 400 HD2 HIS 55 HD2 HIS 55 32.821 46.854 37.976 401 HE1 HIS 55 HE1 HIS 55 30.412 48.751 35.005 402 HE2 HIS 55 HE2 HIS 55 31.419 48.982 37.344 403 H THR 56 H THR 56 34.828 42.426 36.894 404 HA THR 56 HA THR 56 34.236 40.393 34.929 405 HB THR 56 HB THR 56 36.614 40.556 36.810 406 HG1 THR 56 HG1 THR 56 37.446 41.766 34.954 407 HG21 THR 56 1HG2 THR 56 37.776 39.644 34.742 408 HG22 THR 56 2HG2 THR 56 36.618 38.520 35.458 409 HG23 THR 56 3HG2 THR 56 36.184 39.439 34.000 410 H CYS 57 H CYS 57 33.878 40.459 38.441 411 HA CYS 57 HA CYS 57 33.053 37.588 38.238 412 HB2 CYS 57 HB2 CYS 57 35.436 38.185 39.290 413 HB3 CYS 57 HB1 CYS 57 34.472 38.407 40.745 414 H VAL 58 H VAL 58 32.863 40.421 40.480 415 HA VAL 58 HA VAL 58 30.103 39.485 41.177 416 HB VAL 58 HB VAL 58 31.527 39.040 42.978 417 HG11 VAL 58 1HG1 VAL 58 32.676 40.773 44.281 418 HG12 VAL 58 2HG1 VAL 58 33.363 40.606 42.659 419 HG13 VAL 58 3HG1 VAL 58 32.314 41.977 43.050 420 HG21 VAL 58 1HG2 VAL 58 30.340 40.116 44.752 421 HG22 VAL 58 2HG2 VAL 58 29.852 41.473 43.725 422 HG23 VAL 58 3HG2 VAL 58 29.211 39.833 43.432 423 H ALA 59 H ALA 59 29.314 40.636 39.417 424 HA ALA 59 HA ALA 59 29.165 43.582 39.728 425 HB1 ALA 59 HB1 ALA 59 28.626 43.693 37.393 426 HB2 ALA 59 HB2 ALA 59 30.010 42.616 37.584 427 HB3 ALA 59 HB3 ALA 59 28.420 41.930 37.312 428 H SER 60 H SER 60 26.903 44.355 38.622 429 HA SER 60 HA SER 60 24.728 44.820 39.135 430 HB2 SER 60 HB2 SER 60 24.627 43.018 37.497 431 HB3 SER 60 HB1 SER 60 24.497 41.822 38.807 432 HG SER 60 HG SER 60 22.472 42.719 37.824 433 H ARG 61 H ARG 61 24.737 45.650 41.190 434 HA ARG 61 HA ARG 61 23.841 43.836 43.386 435 HB2 ARG 61 HB2 ARG 61 24.997 45.016 45.030 436 HB3 ARG 61 HB1 ARG 61 26.167 44.639 43.783 437 HG2 ARG 61 HG2 ARG 61 24.864 47.352 44.362 438 HG3 ARG 61 HG1 ARG 61 26.521 46.880 44.678 439 HD2 ARG 61 HD2 ARG 61 25.248 47.339 41.960 440 HD3 ARG 61 HD1 ARG 61 26.463 48.323 42.758 441 HE ARG 61 HE ARG 61 27.439 45.643 42.471 442 HH11 ARG 61 1HH1 ARG 61 26.518 48.216 40.301 443 HH12 ARG 61 2HH1 ARG 61 27.678 47.780 39.094 444 HH21 ARG 61 1HH2 ARG 61 29.076 45.205 40.965 445 HH22 ARG 61 2HH2 ARG 61 29.151 46.158 39.518 446 H LYS 62 H LYS 62 22.121 44.436 44.537 447 HA LYS 62 HA LYS 62 20.689 46.962 43.786 448 HB2 LYS 62 HB2 LYS 62 19.598 44.262 44.684 449 HB3 LYS 62 HB1 LYS 62 18.660 45.733 44.555 450 HG2 LYS 62 HG2 LYS 62 18.192 44.592 42.586 451 HG3 LYS 62 HG1 LYS 62 19.243 45.911 42.134 452 HD2 LYS 62 HD2 LYS 62 19.735 43.909 40.862 453 HD3 LYS 62 HD1 LYS 62 21.131 44.327 41.836 454 HE2 LYS 62 HE2 LYS 62 20.376 42.585 43.533 455 HE3 LYS 62 HE1 LYS 62 19.043 42.184 42.440 456 HZ1 LYS 62 HZ1 LYS 62 20.911 40.671 42.121 457 HZ2 LYS 62 HZ2 LYS 62 20.665 41.543 40.768 458 HZ3 LYS 62 HZ3 LYS 62 21.941 41.900 41.730 459 H GLY 63 H GLY 63 22.614 45.872 46.211 460 HA2 GLY 63 HA2 GLY 63 22.328 47.806 48.079 461 HA3 GLY 63 HA1 GLY 63 20.986 46.725 48.500 462 H GLY 64 H GLY 64 21.402 44.981 49.713 463 HA2 GLY 64 HA2 GLY 64 22.519 43.331 50.889 464 HA3 GLY 64 HA1 GLY 64 23.930 43.571 49.866 465 HA PRO 65 HA PRO 65 24.085 46.883 53.508 466 HB2 PRO 65 HB1 PRO 65 22.502 45.310 55.523 467 HB3 PRO 65 HB2 PRO 65 22.614 47.087 55.302 468 HG2 PRO 65 HG1 PRO 65 20.422 45.726 54.459 469 HG3 PRO 65 HG2 PRO 65 21.125 47.021 53.429 470 HD2 PRO 65 HD1 PRO 65 21.542 44.020 53.236 471 HD3 PRO 65 HD2 PRO 65 21.131 45.192 51.944 472 H ARG 66 H ARG 66 25.870 46.729 54.751 473 HA ARG 66 HA ARG 66 26.821 44.565 56.294 474 HB2 ARG 66 HB2 ARG 66 28.628 43.641 54.971 475 HB3 ARG 66 HB1 ARG 66 27.139 43.404 54.092 476 HG2 ARG 66 HG2 ARG 66 27.668 45.309 52.597 477 HG3 ARG 66 HG1 ARG 66 29.125 45.668 53.543 478 HD2 ARG 66 HD2 ARG 66 29.826 44.505 51.600 479 HD3 ARG 66 HD1 ARG 66 30.033 43.433 52.995 480 HE ARG 66 HE ARG 66 27.480 42.885 51.949 481 HH11 ARG 66 1HH1 ARG 66 30.823 42.352 51.133 482 HH12 ARG 66 2HH1 ARG 66 30.494 40.951 50.172 483 HH21 ARG 66 1HH2 ARG 66 27.119 41.020 50.766 484 HH22 ARG 66 2HH2 ARG 66 28.433 40.223 49.960 485 H ARG 67 H ARG 67 26.913 47.663 55.647 486 HA ARG 67 HA ARG 67 29.810 48.192 56.111 487 HB2 ARG 67 HB2 ARG 67 27.728 50.178 55.056 488 HB3 ARG 67 HB1 ARG 67 29.376 50.528 55.517 489 HG2 ARG 67 HG2 ARG 67 29.388 50.454 53.187 490 HG3 ARG 67 HG1 ARG 67 30.168 48.949 53.704 491 HD2 ARG 67 HD2 ARG 67 28.086 47.716 53.261 492 HD3 ARG 67 HD1 ARG 67 27.233 49.223 52.893 493 HE ARG 67 HE ARG 67 29.442 49.095 51.183 494 HH11 ARG 67 1HH1 ARG 67 26.513 47.225 51.704 495 HH12 ARG 67 2HH1 ARG 67 26.343 46.722 50.079 496 HH21 ARG 67 1HH2 ARG 67 29.194 48.462 49.059 497 HH22 ARG 67 2HH2 ARG 67 27.821 47.454 48.598 498 HA PRO 68 HA PRO 68 27.495 50.157 59.734 499 HB2 PRO 68 HB1 PRO 68 24.741 49.148 59.772 500 HB3 PRO 68 HB2 PRO 68 25.298 50.833 59.822 501 HG2 PRO 68 HG1 PRO 68 23.973 49.762 57.642 502 HG3 PRO 68 HG2 PRO 68 25.207 51.058 57.505 503 HD2 PRO 68 HD1 PRO 68 25.585 48.065 57.210 504 HD3 PRO 68 HD2 PRO 68 26.081 49.377 56.095 Start of MODEL 13 1 H PCA 1 H PGA 1 27.482 28.582 39.745 2 HA PCA 1 HA PGA 1 28.411 30.437 41.479 3 HB2 PCA 1 HB1 PGA 1 30.601 30.550 39.388 4 HB3 PCA 1 HB2 PGA 1 30.704 30.897 41.136 5 HG2 PCA 1 HG1 PGA 1 31.506 28.501 39.997 6 HG3 PCA 1 HG2 PGA 1 30.821 28.580 41.663 7 H ASP 2 H ASP 2 27.658 32.539 41.059 8 HA ASP 2 HA ASP 2 26.388 33.168 38.549 9 HB2 ASP 2 HB2 ASP 2 25.948 35.338 39.675 10 HB3 ASP 2 HB1 ASP 2 25.511 33.957 40.674 11 H ARG 3 H ARG 3 29.554 32.989 39.059 12 HA ARG 3 HA ARG 3 30.387 35.382 37.492 13 HB2 ARG 3 HB2 ARG 3 32.049 34.436 39.840 14 HB3 ARG 3 HB1 ARG 3 31.966 36.032 39.075 15 HG2 ARG 3 HG2 ARG 3 29.752 36.415 40.075 16 HG3 ARG 3 HG1 ARG 3 29.895 34.849 40.909 17 HD2 ARG 3 HD2 ARG 3 31.978 35.633 42.007 18 HD3 ARG 3 HD1 ARG 3 31.716 37.238 41.303 19 HE ARG 3 HE ARG 3 29.339 36.979 42.357 20 HH11 ARG 3 1HH1 ARG 3 31.492 34.784 43.634 21 HH12 ARG 3 2HH1 ARG 3 30.826 34.853 45.221 22 HH21 ARG 3 1HH2 ARG 3 28.596 37.229 44.383 23 HH22 ARG 3 2HH2 ARG 3 29.277 36.340 45.710 24 HA PRO 4 HA PRO 4 32.904 32.498 35.379 25 HB2 PRO 4 HB1 PRO 4 35.432 33.551 35.131 26 HB3 PRO 4 HB2 PRO 4 34.008 34.104 34.202 27 HG2 PRO 4 HG1 PRO 4 35.289 35.355 36.596 28 HG3 PRO 4 HG2 PRO 4 34.548 36.143 35.180 29 HD2 PRO 4 HD1 PRO 4 33.365 35.790 37.643 30 HD3 PRO 4 HD2 PRO 4 32.418 36.026 36.131 31 H LYS 5 H LYS 5 34.233 30.751 35.602 32 HA LYS 5 HA LYS 5 34.876 29.907 38.279 33 HB2 LYS 5 HB2 LYS 5 35.723 28.625 35.666 34 HB3 LYS 5 HB1 LYS 5 35.636 27.850 37.260 35 HG2 LYS 5 HG2 LYS 5 33.162 28.227 37.292 36 HG3 LYS 5 HG1 LYS 5 33.251 28.902 35.658 37 HD2 LYS 5 HD2 LYS 5 34.025 26.072 36.471 38 HD3 LYS 5 HD1 LYS 5 32.542 26.555 35.634 39 HE2 LYS 5 HE2 LYS 5 33.876 27.391 33.718 40 HE3 LYS 5 HE1 LYS 5 35.369 26.918 34.535 41 HZ1 LYS 5 HZ1 LYS 5 34.679 25.226 32.958 42 HZ2 LYS 5 HZ2 LYS 5 34.600 24.610 34.481 43 HZ3 LYS 5 HZ3 LYS 5 33.228 25.045 33.702 44 H PHE 6 H PHE 6 36.879 31.377 35.765 45 HA PHE 6 HA PHE 6 39.407 30.624 36.894 46 HB2 PHE 6 HB2 PHE 6 40.337 32.438 35.538 47 HB3 PHE 6 HB1 PHE 6 39.298 31.375 34.622 48 HD1 PHE 6 HD1 PHE 6 39.206 34.651 36.521 49 HD2 PHE 6 HD2 PHE 6 37.774 32.376 33.133 50 HE1 PHE 6 HE1 PHE 6 38.009 36.627 35.695 51 HE2 PHE 6 HE2 PHE 6 36.597 34.392 32.297 52 HZ PHE 6 HZ PHE 6 36.700 36.517 33.578 53 H CYS 7 H CYS 7 36.988 32.786 38.079 54 HA CYS 7 HA CYS 7 38.587 34.487 39.678 55 HB2 CYS 7 HB2 CYS 7 35.790 33.401 39.938 56 HB3 CYS 7 HB1 CYS 7 36.522 34.392 41.148 57 H TYR 8 H TYR 8 37.913 31.051 40.076 58 HA TYR 8 HA TYR 8 38.571 31.048 42.940 59 HB2 TYR 8 HB2 TYR 8 37.972 28.845 40.944 60 HB3 TYR 8 HB1 TYR 8 38.311 28.574 42.642 61 HD1 TYR 8 HD1 TYR 8 35.922 30.444 40.398 62 HD2 TYR 8 HD2 TYR 8 36.576 28.573 44.218 63 HE1 TYR 8 HE1 TYR 8 33.543 30.824 40.969 64 HE2 TYR 8 HE2 TYR 8 34.178 28.913 44.790 65 HH TYR 8 HH TYR 8 32.163 29.671 44.046 66 H LEU 9 H LEU 9 40.442 31.316 40.211 67 HA LEU 9 HA LEU 9 42.656 29.619 41.056 68 HB2 LEU 9 HB2 LEU 9 42.486 31.760 38.920 69 HB3 LEU 9 HB1 LEU 9 43.789 30.603 39.162 70 HG LEU 9 HG LEU 9 40.941 29.714 38.532 71 HD11 LEU 9 1HD1 LEU 9 41.561 29.482 36.227 72 HD12 LEU 9 2HD1 LEU 9 41.880 31.167 36.718 73 HD13 LEU 9 3HD1 LEU 9 43.220 30.009 36.569 74 HD21 LEU 9 1HD2 LEU 9 42.074 27.642 37.819 75 HD22 LEU 9 2HD2 LEU 9 43.642 28.329 38.302 76 HD23 LEU 9 3HD2 LEU 9 42.397 27.982 39.525 77 HA PRO 10 HA PRO 10 44.085 32.774 44.042 78 HB2 PRO 10 HB1 PRO 10 46.625 31.245 43.513 79 HB3 PRO 10 HB2 PRO 10 45.984 31.845 45.067 80 HG2 PRO 10 HG1 PRO 10 45.662 29.239 44.409 81 HG3 PRO 10 HG2 PRO 10 44.270 30.149 45.089 82 HD2 PRO 10 HD1 PRO 10 44.868 29.504 42.186 83 HD3 PRO 10 HD2 PRO 10 43.328 29.363 43.081 84 H ASP 11 H ASP 11 46.001 34.412 44.097 85 HA ASP 11 HA ASP 11 45.884 35.882 41.683 86 HB2 ASP 11 HB2 ASP 11 47.520 37.351 42.662 87 HB3 ASP 11 HB1 ASP 11 46.274 36.964 43.836 88 H ASP 12 H ASP 12 46.968 35.846 39.923 89 HA ASP 12 HA ASP 12 49.253 33.967 39.638 90 HB2 ASP 12 HB2 ASP 12 48.206 33.449 37.430 91 HB3 ASP 12 HB1 ASP 12 47.335 32.946 38.860 92 HA PRO 13 HA PRO 13 50.648 38.195 38.089 93 HB2 PRO 13 HB1 PRO 13 53.062 38.152 39.486 94 HB3 PRO 13 HB2 PRO 13 51.552 38.850 40.108 95 HG2 PRO 13 HG1 PRO 13 52.643 36.112 40.698 96 HG3 PRO 13 HG2 PRO 13 52.022 37.341 41.849 97 HD2 PRO 13 HD1 PRO 13 50.473 35.333 40.981 98 HD3 PRO 13 HD2 PRO 13 49.779 36.977 41.172 99 H GLY 14 H GLY 14 51.740 34.985 38.220 100 HA2 GLY 14 HA2 GLY 14 52.757 33.709 36.625 101 HA3 GLY 14 HA1 GLY 14 52.994 35.158 35.648 102 H VAL 15 H VAL 15 55.010 34.015 35.202 103 HA VAL 15 HA VAL 15 57.003 33.892 37.424 104 HB VAL 15 HB VAL 15 58.283 32.419 35.977 105 HG11 VAL 15 1HG1 VAL 15 56.791 30.505 36.048 106 HG12 VAL 15 2HG1 VAL 15 56.546 31.507 37.487 107 HG13 VAL 15 3HG1 VAL 15 55.363 31.552 36.158 108 HG21 VAL 15 1HG2 VAL 15 57.351 31.562 33.869 109 HG22 VAL 15 2HG2 VAL 15 56.001 32.700 33.958 110 HG23 VAL 15 3HG2 VAL 15 57.673 33.295 33.740 111 H CYS 16 H CYS 16 56.398 35.726 34.533 112 HA CYS 16 HA CYS 16 58.943 36.597 33.816 113 HB2 CYS 16 HB2 CYS 16 56.211 37.812 33.777 114 HB3 CYS 16 HB1 CYS 16 57.568 38.893 33.480 115 H LYS 17 H LYS 17 57.435 37.304 36.828 116 HA LYS 17 HA LYS 17 57.918 38.745 38.558 117 HB2 LYS 17 HB2 LYS 17 59.635 36.820 38.368 118 HB3 LYS 17 HB1 LYS 17 60.758 38.018 37.743 119 HG2 LYS 17 HG2 LYS 17 61.222 37.791 40.050 120 HG3 LYS 17 HG1 LYS 17 60.396 39.343 39.912 121 HD2 LYS 17 HD2 LYS 17 58.223 38.124 40.557 122 HD3 LYS 17 HD1 LYS 17 59.220 36.705 40.883 123 HE2 LYS 17 HE2 LYS 17 59.456 39.462 42.181 124 HE3 LYS 17 HE1 LYS 17 58.717 38.027 42.923 125 HZ1 LYS 17 HZ1 LYS 17 61.001 38.331 43.670 126 HZ2 LYS 17 HZ2 LYS 17 60.886 36.937 42.806 127 HZ3 LYS 17 HZ3 LYS 17 61.567 38.261 42.125 128 H ALA 18 H ALA 18 57.225 40.452 36.778 129 HA ALA 18 HA ALA 18 59.255 42.621 36.731 130 HB1 ALA 18 HB1 ALA 18 58.058 43.603 34.959 131 HB2 ALA 18 HB2 ALA 18 58.071 41.872 34.595 132 HB3 ALA 18 HB3 ALA 18 56.610 42.631 35.276 133 H HIS 19 H HIS 19 56.824 44.507 36.467 134 HA HIS 19 HA HIS 19 55.740 44.477 39.178 135 HB2 HIS 19 HB2 HIS 19 58.062 45.529 39.302 136 HB3 HIS 19 HB1 HIS 19 57.430 46.880 38.373 137 HD1 HIS 19 HD1 HIS 19 58.041 45.977 41.781 138 HD2 HIS 19 HD2 HIS 19 54.933 47.911 39.693 139 HE1 HIS 19 HE1 HIS 19 56.725 47.351 43.548 140 HE2 HIS 19 HE2 HIS 19 54.812 48.509 42.252 141 H ILE 20 H ILE 20 53.681 44.353 38.088 142 HA ILE 20 HA ILE 20 52.796 47.022 37.067 143 HB ILE 20 HB ILE 20 51.661 44.417 36.057 144 HG12 ILE 20 2HG1 ILE 20 54.016 45.976 34.959 145 HG13 ILE 20 1HG1 ILE 20 53.966 44.277 35.425 146 HG21 ILE 20 1HG2 ILE 20 50.809 45.923 34.269 147 HG22 ILE 20 2HG2 ILE 20 50.270 46.454 35.853 148 HG23 ILE 20 3HG2 ILE 20 51.614 47.293 35.047 149 HD11 ILE 20 HD1 ILE 20 53.983 44.328 33.065 150 HD12 ILE 20 HD2 ILE 20 52.321 43.914 33.492 151 HD13 ILE 20 HD3 ILE 20 52.721 45.566 32.982 152 HA PRO 21 HA PRO 21 49.953 46.627 40.575 153 HB2 PRO 21 HB1 PRO 21 48.498 48.788 39.051 154 HB3 PRO 21 HB2 PRO 21 48.886 48.698 40.798 155 HG2 PRO 21 HG1 PRO 21 50.345 50.276 39.138 156 HG3 PRO 21 HG2 PRO 21 51.167 49.278 40.384 157 HD2 PRO 21 HD1 PRO 21 50.814 48.684 37.430 158 HD3 PRO 21 HD2 PRO 21 52.285 48.542 38.456 159 H ARG 22 H ARG 22 48.539 44.964 40.665 160 HA ARG 22 HA ARG 22 46.412 44.727 38.616 161 HB2 ARG 22 HB2 ARG 22 48.700 43.417 38.159 162 HB3 ARG 22 HB1 ARG 22 48.072 42.315 39.369 163 HG2 ARG 22 HG2 ARG 22 47.469 41.432 37.208 164 HG3 ARG 22 HG1 ARG 22 45.990 42.070 37.890 165 HD2 ARG 22 HD2 ARG 22 46.011 42.813 35.647 166 HD3 ARG 22 HD1 ARG 22 46.517 44.241 36.547 167 HE ARG 22 HE ARG 22 48.814 42.719 35.780 168 HH11 ARG 22 1HH1 ARG 22 46.420 44.802 34.335 169 HH12 ARG 22 2HH1 ARG 22 47.393 45.196 32.965 170 HH21 ARG 22 1HH2 ARG 22 50.003 43.124 33.947 171 HH22 ARG 22 2HH2 ARG 22 49.420 44.285 32.779 172 H PHE 23 H PHE 23 44.802 43.154 39.187 173 HA PHE 23 HA PHE 23 44.544 42.702 42.111 174 HB2 PHE 23 HB2 PHE 23 42.652 44.197 40.254 175 HB3 PHE 23 HB1 PHE 23 42.073 43.427 41.722 176 HD1 PHE 23 HD1 PHE 23 42.071 44.644 43.728 177 HD2 PHE 23 HD2 PHE 23 44.720 45.868 40.558 178 HE1 PHE 23 HE1 PHE 23 42.694 46.695 44.995 179 HE2 PHE 23 HE2 PHE 23 45.272 47.918 41.795 180 HZ PHE 23 HZ PHE 23 44.219 48.375 43.994 181 H TYR 24 H TYR 24 42.944 41.108 42.662 182 HA TYR 24 HA TYR 24 41.959 39.381 40.478 183 HB2 TYR 24 HB2 TYR 24 43.506 37.796 40.639 184 HB3 TYR 24 HB1 TYR 24 44.437 38.809 41.706 185 HD1 TYR 24 HD1 TYR 24 43.691 38.791 44.214 186 HD2 TYR 24 HD2 TYR 24 43.033 35.664 41.381 187 HE1 TYR 24 HE1 TYR 24 43.454 37.135 46.092 188 HE2 TYR 24 HE2 TYR 24 42.525 34.086 43.242 189 HH TYR 24 HH TYR 24 42.869 33.707 45.350 190 H TYR 25 H TYR 25 40.371 37.789 41.199 191 HA TYR 25 HA TYR 25 38.904 38.794 43.589 192 HB2 TYR 25 HB2 TYR 25 37.607 38.404 41.423 193 HB3 TYR 25 HB1 TYR 25 37.995 36.708 41.575 194 HD1 TYR 25 HD1 TYR 25 36.586 39.622 43.548 195 HD2 TYR 25 HD2 TYR 25 36.467 35.438 42.735 196 HE1 TYR 25 HE1 TYR 25 34.572 39.388 45.008 197 HE2 TYR 25 HE2 TYR 25 34.362 35.192 44.036 198 HH TYR 25 HH TYR 25 32.732 36.341 45.137 199 H ASN 26 H ASN 26 38.913 37.710 45.493 200 HA ASN 26 HA ASN 26 39.969 34.920 45.513 201 HB2 ASN 26 HB2 ASN 26 41.295 36.617 46.734 202 HB3 ASN 26 HB1 ASN 26 39.910 37.027 47.716 203 HD21 ASN 26 1HD2 ASN 26 40.973 33.724 46.838 204 HD22 ASN 26 2HD2 ASN 26 41.223 33.282 48.517 205 HA PRO 27 HA PRO 27 35.432 34.340 46.289 206 HB2 PRO 27 HB1 PRO 27 36.352 31.527 45.660 207 HB3 PRO 27 HB2 PRO 27 34.830 32.351 45.181 208 HG2 PRO 27 HG1 PRO 27 36.856 32.073 43.433 209 HG3 PRO 27 HG2 PRO 27 35.932 33.575 43.516 210 HD2 PRO 27 HD1 PRO 27 38.679 32.975 44.672 211 HD3 PRO 27 HD2 PRO 27 38.068 34.467 43.883 212 H ALA 28 H ALA 28 38.171 32.300 47.380 213 HA ALA 28 HA ALA 28 36.954 31.026 49.556 214 HB1 ALA 28 HB1 ALA 28 39.235 30.630 50.326 215 HB2 ALA 28 HB2 ALA 28 39.190 30.483 48.557 216 HB3 ALA 28 HB3 ALA 28 39.853 31.952 49.325 217 H SER 29 H SER 29 37.650 34.392 49.307 218 HA SER 29 HA SER 29 36.904 34.755 52.163 219 HB2 SER 29 HB2 SER 29 39.348 35.057 51.839 220 HB3 SER 29 HB1 SER 29 39.025 36.299 50.637 221 HG SER 29 HG SER 29 38.099 36.450 53.316 222 H ASN 30 H ASN 30 35.693 35.003 49.214 223 HA ASN 30 HA ASN 30 34.458 36.447 47.960 224 HB2 ASN 30 HB2 ASN 30 32.911 35.608 49.628 225 HB3 ASN 30 HB1 ASN 30 33.350 36.897 50.749 226 HD21 ASN 30 1HD2 ASN 30 32.632 37.387 47.204 227 HD22 ASN 30 2HD2 ASN 30 31.217 38.336 47.644 228 H LYS 31 H LYS 31 36.920 37.651 48.272 229 HA LYS 31 HA LYS 31 36.161 40.504 48.049 230 HB2 LYS 31 HB2 LYS 31 37.820 41.245 49.701 231 HB3 LYS 31 HB1 LYS 31 36.535 40.285 50.387 232 HG2 LYS 31 HG2 LYS 31 38.295 39.386 51.523 233 HG3 LYS 31 HG1 LYS 31 38.152 38.260 50.189 234 HD2 LYS 31 HD2 LYS 31 40.392 38.501 50.366 235 HD3 LYS 31 HD1 LYS 31 40.069 39.634 49.065 236 HE2 LYS 31 HE2 LYS 31 40.371 40.327 52.030 237 HE3 LYS 31 HE1 LYS 31 41.668 40.455 50.827 238 HZ1 LYS 31 HZ1 LYS 31 40.651 42.587 51.139 239 HZ2 LYS 31 HZ2 LYS 31 40.322 42.048 49.614 240 HZ3 LYS 31 HZ3 LYS 31 39.153 41.991 50.796 241 H CYS 32 H CYS 32 37.618 41.864 47.021 242 HA CYS 32 HA CYS 32 39.413 40.514 45.138 243 HB2 CYS 32 HB2 CYS 32 37.910 42.659 44.825 244 HB3 CYS 32 HB1 CYS 32 39.309 43.494 45.508 245 H LYS 33 H LYS 33 41.716 41.045 44.914 246 HA LYS 33 HA LYS 33 43.037 42.326 47.267 247 HB2 LYS 33 HB2 LYS 33 44.227 39.892 45.895 248 HB3 LYS 33 HB1 LYS 33 44.842 40.762 47.276 249 HG2 LYS 33 HG2 LYS 33 42.669 40.096 48.499 250 HG3 LYS 33 HG1 LYS 33 42.397 38.949 47.166 251 HD2 LYS 33 HD2 LYS 33 44.701 37.992 47.647 252 HD3 LYS 33 HD1 LYS 33 44.834 39.108 49.012 253 HE2 LYS 33 HE2 LYS 33 42.803 38.103 50.045 254 HE3 LYS 33 HE1 LYS 33 42.650 37.007 48.670 255 HZ1 LYS 33 HZ1 LYS 33 43.738 35.913 50.484 256 HZ2 LYS 33 HZ2 LYS 33 44.805 36.069 49.253 257 HZ3 LYS 33 HZ3 LYS 33 44.938 37.045 50.548 258 H GLU 34 H GLU 34 45.246 42.995 46.824 259 HA GLU 34 HA GLU 34 45.610 44.099 44.076 260 HB2 GLU 34 HB2 GLU 34 45.021 45.739 45.846 261 HB3 GLU 34 HB1 GLU 34 46.386 45.206 46.805 262 HG2 GLU 34 HG2 GLU 34 47.952 45.954 45.027 263 HG3 GLU 34 HG1 GLU 34 46.577 46.478 44.048 264 H PHE 35 H PHE 35 47.261 43.041 43.094 265 HA PHE 35 HA PHE 35 49.545 42.058 44.706 266 HB2 PHE 35 HB2 PHE 35 49.586 39.955 43.733 267 HB3 PHE 35 HB1 PHE 35 47.898 40.180 44.168 268 HD1 PHE 35 HD1 PHE 35 46.181 40.178 42.395 269 HD2 PHE 35 HD2 PHE 35 50.352 40.114 41.415 270 HE1 PHE 35 HE1 PHE 35 45.623 39.574 40.022 271 HE2 PHE 35 HE2 PHE 35 49.774 39.670 39.052 272 HZ PHE 35 HZ PHE 35 47.421 39.275 38.376 273 H ILE 36 H ILE 36 51.496 41.691 43.319 274 HA ILE 36 HA ILE 36 51.566 43.714 41.111 275 HB ILE 36 HB ILE 36 53.693 42.661 42.964 276 HG12 ILE 36 2HG1 ILE 36 52.502 44.672 43.698 277 HG13 ILE 36 1HG1 ILE 36 54.154 45.056 43.281 278 HG21 ILE 36 1HG2 ILE 36 55.327 43.981 41.514 279 HG22 ILE 36 2HG2 ILE 36 54.806 42.424 40.874 280 HG23 ILE 36 3HG2 ILE 36 54.066 43.915 40.246 281 HD11 ILE 36 HD1 ILE 36 52.779 46.840 42.468 282 HD12 ILE 36 HD2 ILE 36 53.284 45.930 41.026 283 HD13 ILE 36 HD3 ILE 36 51.652 45.737 41.692 284 H TYR 37 H TYR 37 51.314 43.065 39.215 285 HA TYR 37 HA TYR 37 51.752 40.296 38.411 286 HB2 TYR 37 HB2 TYR 37 49.784 41.495 37.735 287 HB3 TYR 37 HB1 TYR 37 50.725 42.762 36.992 288 HD1 TYR 37 HD1 TYR 37 49.364 39.367 36.657 289 HD2 TYR 37 HD2 TYR 37 51.959 42.316 34.862 290 HE1 TYR 37 HE1 TYR 37 49.335 38.100 34.532 291 HE2 TYR 37 HE2 TYR 37 51.789 41.116 32.677 292 HH TYR 37 HH TYR 37 51.027 39.215 31.581 293 H GLY 38 H GLY 38 53.074 39.523 36.841 294 HA2 GLY 38 HA2 GLY 38 55.586 41.005 36.402 295 HA3 GLY 38 HA1 GLY 38 55.289 39.291 36.081 296 H GLY 39 H GLY 39 54.176 38.714 34.153 297 HA2 GLY 39 HA2 GLY 39 53.708 40.542 31.961 298 HA3 GLY 39 HA1 GLY 39 55.373 39.997 31.937 299 H CYS 40 H CYS 40 54.360 37.282 33.127 300 HA CYS 40 HA CYS 40 52.920 36.070 30.905 301 HB2 CYS 40 HB2 CYS 40 54.808 34.616 30.292 302 HB3 CYS 40 HB1 CYS 40 55.128 36.298 29.903 303 H GLY 41 H GLY 41 52.104 34.065 31.480 304 HA2 GLY 41 HA2 GLY 41 51.864 32.097 32.719 305 HA3 GLY 41 HA1 GLY 41 53.030 32.662 33.906 306 H GLY 42 H GLY 42 50.232 34.622 32.906 307 HA2 GLY 42 HA2 GLY 42 48.992 34.200 35.579 308 HA3 GLY 42 HA1 GLY 42 48.859 35.696 34.665 309 H ASN 43 H ASN 43 46.743 34.149 35.681 310 HA ASN 43 HA ASN 43 45.476 32.619 33.488 311 HB2 ASN 43 HB2 ASN 43 44.295 33.388 36.187 312 HB3 ASN 43 HB1 ASN 43 43.746 32.129 35.107 313 HD21 ASN 43 1HD2 ASN 43 45.121 32.452 37.983 314 HD22 ASN 43 2HD2 ASN 43 46.064 30.981 37.969 315 H ALA 44 H ALA 44 42.861 33.416 33.760 316 HA ALA 44 HA ALA 44 42.775 36.141 32.641 317 HB1 ALA 44 HB1 ALA 44 40.396 35.577 32.246 318 HB2 ALA 44 HB2 ALA 44 41.472 34.315 31.620 319 HB3 ALA 44 HB3 ALA 44 40.599 34.073 33.160 320 H ASN 45 H ASN 45 43.103 35.245 35.762 321 HA ASN 45 HA ASN 45 40.908 36.879 36.867 322 HB2 ASN 45 HB2 ASN 45 41.939 34.491 37.716 323 HB3 ASN 45 HB1 ASN 45 42.947 35.584 38.642 324 HD21 ASN 45 1HD2 ASN 45 41.766 34.359 40.408 325 HD22 ASN 45 2HD2 ASN 45 40.265 35.037 40.970 326 H ASN 46 H ASN 46 43.354 37.876 35.330 327 HA ASN 46 HA ASN 46 44.808 39.517 37.270 328 HB2 ASN 46 HB2 ASN 46 46.275 39.944 35.344 329 HB3 ASN 46 HB1 ASN 46 46.034 38.212 35.583 330 HD21 ASN 46 1HD2 ASN 46 46.908 39.542 33.130 331 HD22 ASN 46 2HD2 ASN 46 45.651 39.126 31.963 332 H PHE 47 H PHE 47 42.881 40.781 37.814 333 HA PHE 47 HA PHE 47 41.715 42.593 35.838 334 HB2 PHE 47 HB2 PHE 47 41.571 42.862 38.839 335 HB3 PHE 47 HB1 PHE 47 40.395 43.387 37.648 336 HD1 PHE 47 HD1 PHE 47 40.264 40.730 36.009 337 HD2 PHE 47 HD2 PHE 47 40.326 41.575 40.235 338 HE1 PHE 47 HE1 PHE 47 39.008 38.639 36.458 339 HE2 PHE 47 HE2 PHE 47 38.837 39.693 40.616 340 HZ PHE 47 HZ PHE 47 38.184 38.150 38.748 341 H GLU 48 H GLU 48 41.754 44.924 35.969 342 HA GLU 48 HA GLU 48 44.380 46.031 36.550 343 HB2 GLU 48 HB2 GLU 48 41.779 47.363 35.730 344 HB3 GLU 48 HB1 GLU 48 43.382 48.119 35.752 345 HG2 GLU 48 HG2 GLU 48 44.173 46.360 34.131 346 HG3 GLU 48 HG1 GLU 48 42.518 45.744 34.029 347 H THR 49 H THR 49 41.170 46.476 38.040 348 HA THR 49 HA THR 49 42.396 47.296 40.585 349 HB THR 49 HB THR 49 41.019 49.314 40.811 350 HG1 THR 49 HG1 THR 49 40.712 49.492 38.083 351 HG21 THR 49 1HG2 THR 49 42.333 50.862 39.573 352 HG22 THR 49 2HG2 THR 49 43.391 49.544 40.107 353 HG23 THR 49 3HG2 THR 49 42.854 49.613 38.422 354 H ARG 50 H ARG 50 40.577 47.755 42.221 355 HA ARG 50 HA ARG 50 38.780 45.599 42.476 356 HB2 ARG 50 HB2 ARG 50 38.305 48.379 43.640 357 HB3 ARG 50 HB1 ARG 50 37.715 46.825 44.252 358 HG2 ARG 50 HG2 ARG 50 40.145 46.159 44.631 359 HG3 ARG 50 HG1 ARG 50 40.576 47.832 44.231 360 HD2 ARG 50 HD2 ARG 50 38.986 48.584 46.063 361 HD3 ARG 50 HD1 ARG 50 38.847 46.874 46.531 362 HE ARG 50 HE ARG 50 41.617 47.799 46.361 363 HH11 ARG 50 1HH1 ARG 50 38.866 47.971 48.517 364 HH12 ARG 50 2HH1 ARG 50 39.876 48.255 49.906 365 HH21 ARG 50 1HH2 ARG 50 42.841 48.177 48.158 366 HH22 ARG 50 2HH2 ARG 50 42.093 48.376 49.694 367 H ALA 51 H ALA 51 38.364 48.448 40.499 368 HA ALA 51 HA ALA 51 35.473 48.330 40.287 369 HB1 ALA 51 HB1 ALA 51 35.841 49.967 38.478 370 HB2 ALA 51 HB2 ALA 51 36.750 50.421 39.928 371 HB3 ALA 51 HB3 ALA 51 37.584 49.684 38.542 372 H GLU 52 H GLU 52 38.182 47.338 38.085 373 HA GLU 52 HA GLU 52 36.467 45.915 36.266 374 HB2 GLU 52 HB2 GLU 52 38.654 46.653 35.553 375 HB3 GLU 52 HB1 GLU 52 39.435 45.755 36.859 376 HG2 GLU 52 HG2 GLU 52 39.786 44.581 34.809 377 HG3 GLU 52 HG1 GLU 52 38.755 43.605 35.843 378 H CYS 53 H CYS 53 38.285 44.932 39.173 379 HA CYS 53 HA CYS 53 37.930 42.229 39.156 380 HB2 CYS 53 HB2 CYS 53 39.132 43.646 40.809 381 HB3 CYS 53 HB1 CYS 53 37.585 44.094 41.533 382 H ARG 54 H ARG 54 35.479 44.520 40.331 383 HA ARG 54 HA ARG 54 33.524 42.363 40.777 384 HB2 ARG 54 HB2 ARG 54 31.922 44.100 41.256 385 HB3 ARG 54 HB1 ARG 54 33.408 44.347 42.161 386 HG2 ARG 54 HG2 ARG 54 34.127 46.088 40.578 387 HG3 ARG 54 HG1 ARG 54 32.659 45.871 39.613 388 HD2 ARG 54 HD2 ARG 54 32.819 46.773 42.508 389 HD3 ARG 54 HD1 ARG 54 32.545 47.816 41.097 390 HE ARG 54 HE ARG 54 30.575 45.747 41.113 391 HH11 ARG 54 1HH1 ARG 54 31.408 48.522 43.065 392 HH12 ARG 54 2HH1 ARG 54 29.781 48.748 43.630 393 HH21 ARG 54 1HH2 ARG 54 28.509 46.060 41.902 394 HH22 ARG 54 2HH2 ARG 54 28.167 47.401 42.950 395 H HIS 55 H HIS 55 34.247 44.591 38.062 396 HA HIS 55 HA HIS 55 31.789 43.973 36.648 397 HB2 HIS 55 HB2 HIS 55 33.367 45.996 36.346 398 HB3 HIS 55 HB1 HIS 55 34.409 44.903 35.440 399 HD1 HIS 55 HD1 HIS 55 31.612 47.175 34.898 400 HD2 HIS 55 HD2 HIS 55 33.209 43.704 33.205 401 HE1 HIS 55 HE1 HIS 55 30.541 46.976 32.539 402 HE2 HIS 55 HE2 HIS 55 31.572 44.832 31.517 403 H THR 56 H THR 56 35.014 42.443 36.673 404 HA THR 56 HA THR 56 34.274 40.449 34.727 405 HB THR 56 HB THR 56 36.563 40.418 36.735 406 HG1 THR 56 HG1 THR 56 37.627 41.341 34.832 407 HG21 THR 56 1HG2 THR 56 37.647 39.151 34.799 408 HG22 THR 56 2HG2 THR 56 36.353 38.272 35.625 409 HG23 THR 56 3HG2 THR 56 36.051 39.043 34.055 410 H CYS 57 H CYS 57 34.378 40.453 38.316 411 HA CYS 57 HA CYS 57 33.193 37.721 38.227 412 HB2 CYS 57 HB2 CYS 57 35.488 38.397 39.403 413 HB3 CYS 57 HB1 CYS 57 34.427 38.751 40.742 414 H VAL 58 H VAL 58 32.991 40.368 40.620 415 HA VAL 58 HA VAL 58 30.255 39.534 41.279 416 HB VAL 58 HB VAL 58 31.715 41.882 42.527 417 HG11 VAL 58 1HG1 VAL 58 30.278 41.316 44.452 418 HG12 VAL 58 2HG1 VAL 58 29.272 41.621 43.031 419 HG13 VAL 58 3HG1 VAL 58 29.572 39.956 43.554 420 HG21 VAL 58 1HG2 VAL 58 32.427 40.305 44.316 421 HG22 VAL 58 2HG2 VAL 58 31.909 38.947 43.295 422 HG23 VAL 58 3HG2 VAL 58 33.245 40.008 42.779 423 H ALA 59 H ALA 59 29.777 40.081 38.911 424 HA ALA 59 HA ALA 59 29.116 42.954 38.537 425 HB1 ALA 59 HB1 ALA 59 29.108 42.455 36.149 426 HB2 ALA 59 HB2 ALA 59 30.621 41.882 36.887 427 HB3 ALA 59 HB3 ALA 59 29.347 40.729 36.493 428 H SER 60 H SER 60 27.077 43.634 38.294 429 HA SER 60 HA SER 60 24.881 41.642 37.832 430 HB2 SER 60 HB2 SER 60 24.616 44.076 39.616 431 HB3 SER 60 HB1 SER 60 23.486 42.734 39.422 432 HG SER 60 HG SER 60 25.068 41.372 40.392 433 H ARG 61 H ARG 61 26.327 43.339 35.922 434 HA ARG 61 HA ARG 61 24.101 45.044 34.897 435 HB2 ARG 61 HB2 ARG 61 27.066 45.753 35.046 436 HB3 ARG 61 HB1 ARG 61 25.938 46.558 33.954 437 HG2 ARG 61 HG2 ARG 61 24.569 47.322 35.855 438 HG3 ARG 61 HG1 ARG 61 25.618 46.466 36.988 439 HD2 ARG 61 HD2 ARG 61 26.165 48.851 36.944 440 HD3 ARG 61 HD1 ARG 61 27.529 47.862 36.364 441 HE ARG 61 HE ARG 61 25.769 48.888 34.247 442 HH11 ARG 61 1HH1 ARG 61 28.480 49.840 36.238 443 HH12 ARG 61 2HH1 ARG 61 29.118 50.922 35.038 444 HH21 ARG 61 1HH2 ARG 61 26.632 50.331 32.754 445 HH22 ARG 61 2HH2 ARG 61 28.087 51.196 33.117 446 H LYS 62 H LYS 62 24.176 45.397 32.605 447 HA LYS 62 HA LYS 62 24.774 42.977 31.108 448 HB2 LYS 62 HB2 LYS 62 24.029 45.767 30.095 449 HB3 LYS 62 HB1 LYS 62 23.963 44.283 29.151 450 HG2 LYS 62 HG2 LYS 62 22.251 44.935 31.595 451 HG3 LYS 62 HG1 LYS 62 21.734 45.024 29.920 452 HD2 LYS 62 HD2 LYS 62 22.571 42.437 31.311 453 HD3 LYS 62 HD1 LYS 62 20.914 43.011 31.125 454 HE2 LYS 62 HE2 LYS 62 21.160 43.004 28.652 455 HE3 LYS 62 HE1 LYS 62 22.818 42.381 28.819 456 HZ1 LYS 62 HZ1 LYS 62 21.211 40.594 28.401 457 HZ2 LYS 62 HZ2 LYS 62 21.887 40.385 29.885 458 HZ3 LYS 62 HZ3 LYS 62 20.360 40.981 29.737 459 H GLY 63 H GLY 63 26.294 42.586 29.565 460 HA2 GLY 63 HA2 GLY 63 28.696 44.358 29.436 461 HA3 GLY 63 HA1 GLY 63 28.680 42.617 29.212 462 H GLY 64 H GLY 64 26.354 44.880 27.706 463 HA2 GLY 64 HA2 GLY 64 27.367 44.010 25.029 464 HA3 GLY 64 HA1 GLY 64 25.687 44.335 25.374 465 HA PRO 65 HA PRO 65 28.129 48.395 24.296 466 HB2 PRO 65 HB1 PRO 65 27.538 47.729 21.444 467 HB3 PRO 65 HB2 PRO 65 28.956 48.585 22.118 468 HG2 PRO 65 HG1 PRO 65 29.163 46.004 21.285 469 HG3 PRO 65 HG2 PRO 65 29.952 46.527 22.816 470 HD2 PRO 65 HD1 PRO 65 27.302 45.100 22.456 471 HD3 PRO 65 HD2 PRO 65 28.636 44.757 23.594 472 H ARG 66 H ARG 66 27.042 50.342 23.419 473 HA ARG 66 HA ARG 66 24.104 50.104 23.418 474 HB2 ARG 66 HB2 ARG 66 25.291 51.870 24.761 475 HB3 ARG 66 HB1 ARG 66 25.819 52.600 23.253 476 HG2 ARG 66 HG2 ARG 66 23.877 53.755 24.207 477 HG3 ARG 66 HG1 ARG 66 23.518 53.116 22.623 478 HD2 ARG 66 HD2 ARG 66 21.666 52.884 24.262 479 HD3 ARG 66 HD1 ARG 66 22.143 51.376 23.522 480 HE ARG 66 HE ARG 66 22.941 52.273 26.272 481 HH11 ARG 66 1HH1 ARG 66 21.746 49.685 24.272 482 HH12 ARG 66 2HH1 ARG 66 22.069 48.442 25.454 483 HH21 ARG 66 1HH2 ARG 66 23.141 50.701 27.826 484 HH22 ARG 66 2HH2 ARG 66 22.743 49.035 27.475 485 H ARG 67 H ARG 67 22.824 50.486 21.719 486 HA ARG 67 HA ARG 67 23.985 50.877 19.006 487 HB2 ARG 67 HB2 ARG 67 22.053 48.682 19.863 488 HB3 ARG 67 HB1 ARG 67 21.991 49.376 18.251 489 HG2 ARG 67 HG2 ARG 67 23.298 47.447 18.045 490 HG3 ARG 67 HG1 ARG 67 24.404 48.817 17.930 491 HD2 ARG 67 HD2 ARG 67 24.961 48.431 20.406 492 HD3 ARG 67 HD1 ARG 67 23.954 46.992 20.331 493 HE ARG 67 HE ARG 67 25.582 45.912 19.039 494 HH11 ARG 67 1HH1 ARG 67 26.533 49.313 19.388 495 HH12 ARG 67 2HH1 ARG 67 28.089 49.015 18.674 496 HH21 ARG 67 1HH2 ARG 67 27.627 45.629 18.221 497 HH22 ARG 67 2HH2 ARG 67 28.713 46.978 18.105 498 HA PRO 68 HA PRO 68 19.864 53.169 19.177 499 HB2 PRO 68 HB1 PRO 68 18.266 53.132 21.373 500 HB3 PRO 68 HB2 PRO 68 18.155 51.867 20.109 501 HG2 PRO 68 HG1 PRO 68 19.642 51.720 22.755 502 HG3 PRO 68 HG2 PRO 68 18.526 50.527 22.040 503 HD2 PRO 68 HD1 PRO 68 21.207 50.291 21.795 504 HD3 PRO 68 HD2 PRO 68 20.108 49.826 20.467 Start of MODEL 14 1 H PCA 1 H PGA 1 27.596 29.239 44.019 2 HA PCA 1 HA PGA 1 27.311 31.722 43.521 3 HB2 PCA 1 HB1 PGA 1 29.778 32.568 42.643 4 HB3 PCA 1 HB2 PGA 1 29.366 32.462 44.368 5 HG2 PCA 1 HG1 PGA 1 31.009 30.499 42.771 6 HG3 PCA 1 HG2 PGA 1 31.184 31.026 44.469 7 H ASP 2 H ASP 2 27.426 32.833 41.376 8 HA ASP 2 HA ASP 2 27.384 30.937 39.105 9 HB2 ASP 2 HB2 ASP 2 25.964 33.567 39.595 10 HB3 ASP 2 HB1 ASP 2 25.674 32.450 38.243 11 H ARG 3 H ARG 3 29.465 33.303 40.069 12 HA ARG 3 HA ARG 3 30.056 34.636 37.608 13 HB2 ARG 3 HB2 ARG 3 31.742 35.655 38.767 14 HB3 ARG 3 HB1 ARG 3 30.653 35.230 40.056 15 HG2 ARG 3 HG2 ARG 3 33.329 33.982 39.341 16 HG3 ARG 3 HG1 ARG 3 32.909 34.926 40.751 17 HD2 ARG 3 HD2 ARG 3 32.706 32.989 41.810 18 HD3 ARG 3 HD1 ARG 3 31.124 32.915 41.063 19 HE ARG 3 HE ARG 3 33.535 31.676 39.772 20 HH11 ARG 3 1HH1 ARG 3 30.151 31.361 39.939 21 HH12 ARG 3 2HH1 ARG 3 30.084 29.681 40.283 22 HH21 ARG 3 1HH2 ARG 3 33.521 29.327 40.148 23 HH22 ARG 3 2HH2 ARG 3 31.959 28.563 40.005 24 HA PRO 4 HA PRO 4 32.711 31.866 35.342 25 HB2 PRO 4 HB1 PRO 4 35.186 33.257 35.187 26 HB3 PRO 4 HB2 PRO 4 33.855 33.250 33.994 27 HG2 PRO 4 HG1 PRO 4 34.521 35.302 36.045 28 HG3 PRO 4 HG2 PRO 4 33.718 35.516 34.477 29 HD2 PRO 4 HD1 PRO 4 32.399 35.586 36.854 30 HD3 PRO 4 HD2 PRO 4 31.629 35.002 35.363 31 H LYS 5 H LYS 5 34.062 30.138 35.782 32 HA LYS 5 HA LYS 5 34.948 29.802 38.507 33 HB2 LYS 5 HB2 LYS 5 35.566 27.627 37.972 34 HB3 LYS 5 HB1 LYS 5 34.137 27.947 36.996 35 HG2 LYS 5 HG2 LYS 5 35.643 28.381 35.027 36 HG3 LYS 5 HG1 LYS 5 37.041 27.993 36.045 37 HD2 LYS 5 HD2 LYS 5 36.045 25.730 36.485 38 HD3 LYS 5 HD1 LYS 5 34.771 26.094 35.310 39 HE2 LYS 5 HE2 LYS 5 37.776 26.024 34.756 40 HE3 LYS 5 HE1 LYS 5 36.643 24.724 34.390 41 HZ1 LYS 5 HZ1 LYS 5 37.082 26.044 32.436 42 HZ2 LYS 5 HZ2 LYS 5 35.510 26.218 32.853 43 HZ3 LYS 5 HZ3 LYS 5 36.595 27.425 33.160 44 H PHE 6 H PHE 6 36.648 31.072 35.725 45 HA PHE 6 HA PHE 6 39.308 30.569 36.707 46 HB2 PHE 6 HB2 PHE 6 39.993 32.325 35.195 47 HB3 PHE 6 HB1 PHE 6 38.950 31.162 34.397 48 HD1 PHE 6 HD1 PHE 6 38.786 34.510 36.135 49 HD2 PHE 6 HD2 PHE 6 37.401 32.103 32.867 50 HE1 PHE 6 HE1 PHE 6 37.492 36.407 35.331 51 HE2 PHE 6 HE2 PHE 6 36.128 34.048 32.012 52 HZ PHE 6 HZ PHE 6 36.143 36.200 33.253 53 H CYS 7 H CYS 7 36.857 32.880 37.742 54 HA CYS 7 HA CYS 7 38.491 34.707 39.154 55 HB2 CYS 7 HB2 CYS 7 35.752 33.591 39.794 56 HB3 CYS 7 HB1 CYS 7 36.474 35.001 40.556 57 H TYR 8 H TYR 8 38.179 31.303 39.748 58 HA TYR 8 HA TYR 8 38.909 31.520 42.601 59 HB2 TYR 8 HB2 TYR 8 38.410 29.184 40.703 60 HB3 TYR 8 HB1 TYR 8 39.093 28.970 42.289 61 HD1 TYR 8 HD1 TYR 8 36.096 30.765 40.825 62 HD2 TYR 8 HD2 TYR 8 37.725 28.347 43.997 63 HE1 TYR 8 HE1 TYR 8 33.877 30.721 42.013 64 HE2 TYR 8 HE2 TYR 8 35.490 28.209 45.057 65 HH TYR 8 HH TYR 8 33.221 28.779 44.843 66 H LEU 9 H LEU 9 40.610 31.623 39.637 67 HA LEU 9 HA LEU 9 42.935 30.099 40.314 68 HB2 LEU 9 HB2 LEU 9 42.493 32.498 38.504 69 HB3 LEU 9 HB1 LEU 9 44.017 31.630 38.599 70 HG LEU 9 HG LEU 9 41.422 30.182 37.932 71 HD11 LEU 9 1HD1 LEU 9 41.706 30.438 35.639 72 HD12 LEU 9 2HD1 LEU 9 41.980 32.082 36.273 73 HD13 LEU 9 3HD1 LEU 9 43.349 31.053 35.789 74 HD21 LEU 9 1HD2 LEU 9 42.979 28.565 36.872 75 HD22 LEU 9 2HD2 LEU 9 44.360 29.551 37.395 76 HD23 LEU 9 3HD2 LEU 9 43.326 28.754 38.596 77 HA PRO 10 HA PRO 10 44.173 32.761 43.791 78 HB2 PRO 10 HB1 PRO 10 46.716 31.230 43.313 79 HB3 PRO 10 HB2 PRO 10 45.915 31.636 44.871 80 HG2 PRO 10 HG1 PRO 10 45.636 29.150 43.844 81 HG3 PRO 10 HG2 PRO 10 44.185 30.002 44.471 82 HD2 PRO 10 HD1 PRO 10 45.127 29.763 41.600 83 HD3 PRO 10 HD2 PRO 10 43.491 29.486 42.279 84 H ASP 11 H ASP 11 45.855 34.512 44.085 85 HA ASP 11 HA ASP 11 46.264 35.966 41.676 86 HB2 ASP 11 HB2 ASP 11 47.661 37.450 43.053 87 HB3 ASP 11 HB1 ASP 11 46.057 37.181 43.683 88 H ASP 12 H ASP 12 47.388 35.100 40.080 89 HA ASP 12 HA ASP 12 50.104 33.993 40.613 90 HB2 ASP 12 HB2 ASP 12 48.445 32.384 39.764 91 HB3 ASP 12 HB1 ASP 12 48.253 33.366 38.306 92 HA PRO 13 HA PRO 13 50.966 37.882 38.216 93 HB2 PRO 13 HB1 PRO 13 53.382 38.350 39.541 94 HB3 PRO 13 HB2 PRO 13 51.784 38.947 40.062 95 HG2 PRO 13 HG1 PRO 13 53.217 36.518 41.078 96 HG3 PRO 13 HG2 PRO 13 52.435 37.845 42.016 97 HD2 PRO 13 HD1 PRO 13 51.161 35.530 41.540 98 HD3 PRO 13 HD2 PRO 13 50.263 37.073 41.447 99 H GLY 14 H GLY 14 52.268 34.790 38.589 100 HA2 GLY 14 HA2 GLY 14 53.629 33.495 37.293 101 HA3 GLY 14 HA1 GLY 14 53.916 34.862 36.215 102 H VAL 15 H VAL 15 56.072 33.855 36.260 103 HA VAL 15 HA VAL 15 57.712 34.194 38.662 104 HB VAL 15 HB VAL 15 57.836 32.163 37.430 105 HG11 VAL 15 1HG1 VAL 15 58.792 31.995 35.167 106 HG12 VAL 15 2HG1 VAL 15 57.276 32.886 35.151 107 HG13 VAL 15 3HG1 VAL 15 58.834 33.752 35.040 108 HG21 VAL 15 1HG2 VAL 15 60.204 31.879 37.197 109 HG22 VAL 15 2HG2 VAL 15 60.469 33.614 36.957 110 HG23 VAL 15 3HG2 VAL 15 59.924 33.002 38.535 111 H CYS 16 H CYS 16 57.301 36.077 35.738 112 HA CYS 16 HA CYS 16 59.828 37.286 35.550 113 HB2 CYS 16 HB2 CYS 16 57.051 38.014 34.758 114 HB3 CYS 16 HB1 CYS 16 58.191 39.355 34.842 115 H LYS 17 H LYS 17 57.503 37.754 38.040 116 HA LYS 17 HA LYS 17 57.222 39.170 39.778 117 HB2 LYS 17 HB2 LYS 17 60.219 39.586 39.388 118 HB3 LYS 17 HB1 LYS 17 59.342 40.156 40.769 119 HG2 LYS 17 HG2 LYS 17 59.603 37.247 39.889 120 HG3 LYS 17 HG1 LYS 17 60.598 37.993 41.110 121 HD2 LYS 17 HD2 LYS 17 57.560 37.846 41.431 122 HD3 LYS 17 HD1 LYS 17 58.611 36.483 41.802 123 HE2 LYS 17 HE2 LYS 17 58.193 37.708 43.833 124 HE3 LYS 17 HE1 LYS 17 59.904 37.794 43.402 125 HZ1 LYS 17 HZ1 LYS 17 59.011 39.934 44.131 126 HZ2 LYS 17 HZ2 LYS 17 59.529 40.026 42.569 127 HZ3 LYS 17 HZ3 LYS 17 57.911 39.937 42.903 128 H ALA 18 H ALA 18 59.479 41.029 37.771 129 HA ALA 18 HA ALA 18 59.696 43.318 37.662 130 HB1 ALA 18 HB1 ALA 18 58.445 44.071 35.815 131 HB2 ALA 18 HB2 ALA 18 58.592 42.324 35.606 132 HB3 ALA 18 HB3 ALA 18 57.063 43.024 36.186 133 H HIS 19 H HIS 19 56.945 44.849 37.244 134 HA HIS 19 HA HIS 19 55.860 44.929 39.877 135 HB2 HIS 19 HB2 HIS 19 58.087 46.269 40.068 136 HB3 HIS 19 HB1 HIS 19 57.270 47.525 39.166 137 HD1 HIS 19 HD1 HIS 19 57.875 46.450 42.569 138 HD2 HIS 19 HD2 HIS 19 54.684 48.193 40.452 139 HE1 HIS 19 HE1 HIS 19 56.334 47.530 44.348 140 HE2 HIS 19 HE2 HIS 19 54.368 48.575 43.034 141 H ILE 20 H ILE 20 53.945 44.533 38.522 142 HA ILE 20 HA ILE 20 52.863 47.113 37.460 143 HB ILE 20 HB ILE 20 52.079 44.440 36.327 144 HG12 ILE 20 2HG1 ILE 20 54.427 46.178 35.518 145 HG13 ILE 20 1HG1 ILE 20 54.448 44.471 35.944 146 HG21 ILE 20 1HG2 ILE 20 51.364 45.935 34.450 147 HG22 ILE 20 2HG2 ILE 20 50.584 46.380 35.967 148 HG23 ILE 20 3HG2 ILE 20 51.953 47.329 35.349 149 HD11 ILE 20 HD1 ILE 20 54.744 44.587 33.616 150 HD12 ILE 20 HD2 ILE 20 53.062 44.044 33.832 151 HD13 ILE 20 HD3 ILE 20 53.422 45.733 33.396 152 HA PRO 21 HA PRO 21 49.847 46.383 40.753 153 HB2 PRO 21 HB1 PRO 21 48.379 48.546 39.245 154 HB3 PRO 21 HB2 PRO 21 48.657 48.375 41.009 155 HG2 PRO 21 HG1 PRO 21 50.132 50.117 39.547 156 HG3 PRO 21 HG2 PRO 21 50.918 49.102 40.791 157 HD2 PRO 21 HD1 PRO 21 50.814 48.663 37.790 158 HD3 PRO 21 HD2 PRO 21 52.208 48.528 38.909 159 H ARG 22 H ARG 22 48.623 44.569 40.582 160 HA ARG 22 HA ARG 22 46.545 44.438 38.474 161 HB2 ARG 22 HB2 ARG 22 48.867 43.312 37.897 162 HB3 ARG 22 HB1 ARG 22 48.318 42.064 39.015 163 HG2 ARG 22 HG2 ARG 22 47.757 41.358 36.792 164 HG3 ARG 22 HG1 ARG 22 46.244 41.804 37.561 165 HD2 ARG 22 HD2 ARG 22 46.233 42.671 35.311 166 HD3 ARG 22 HD1 ARG 22 46.408 44.058 36.381 167 HE ARG 22 HE ARG 22 49.007 43.414 35.805 168 HH11 ARG 22 1HH1 ARG 22 46.200 44.202 33.799 169 HH12 ARG 22 2HH1 ARG 22 47.166 44.877 32.550 170 HH21 ARG 22 1HH2 ARG 22 50.195 44.175 34.068 171 HH22 ARG 22 2HH2 ARG 22 49.363 44.875 32.694 172 H PHE 23 H PHE 23 44.728 43.864 39.309 173 HA PHE 23 HA PHE 23 44.646 42.885 42.111 174 HB2 PHE 23 HB2 PHE 23 42.647 44.367 40.382 175 HB3 PHE 23 HB1 PHE 23 42.205 43.614 41.907 176 HD1 PHE 23 HD1 PHE 23 42.230 44.937 43.816 177 HD2 PHE 23 HD2 PHE 23 44.942 45.949 40.627 178 HE1 PHE 23 HE1 PHE 23 42.937 47.022 45.016 179 HE2 PHE 23 HE2 PHE 23 45.599 47.993 41.807 180 HZ PHE 23 HZ PHE 23 44.562 48.559 43.985 181 H TYR 24 H TYR 24 42.984 41.250 42.604 182 HA TYR 24 HA TYR 24 42.011 39.688 40.299 183 HB2 TYR 24 HB2 TYR 24 43.279 37.889 40.449 184 HB3 TYR 24 HB1 TYR 24 44.412 38.914 41.294 185 HD1 TYR 24 HD1 TYR 24 43.526 39.196 43.955 186 HD2 TYR 24 HD2 TYR 24 43.281 35.788 41.368 187 HE1 TYR 24 HE1 TYR 24 43.198 37.708 45.917 188 HE2 TYR 24 HE2 TYR 24 42.873 34.319 43.328 189 HH TYR 24 HH TYR 24 42.879 34.183 45.594 190 H TYR 25 H TYR 25 40.534 37.903 41.052 191 HA TYR 25 HA TYR 25 38.842 38.936 43.278 192 HB2 TYR 25 HB2 TYR 25 37.626 38.411 41.214 193 HB3 TYR 25 HB1 TYR 25 38.246 36.765 41.243 194 HD1 TYR 25 HD1 TYR 25 36.213 39.315 43.091 195 HD2 TYR 25 HD2 TYR 25 37.074 35.141 42.578 196 HE1 TYR 25 HE1 TYR 25 34.252 38.720 44.524 197 HE2 TYR 25 HE2 TYR 25 35.017 34.549 43.818 198 HH TYR 25 HH TYR 25 33.302 35.319 45.032 199 H ASN 26 H ASN 26 38.861 38.030 45.230 200 HA ASN 26 HA ASN 26 40.121 35.358 45.588 201 HB2 ASN 26 HB2 ASN 26 41.201 37.271 46.693 202 HB3 ASN 26 HB1 ASN 26 39.726 37.603 47.607 203 HD21 ASN 26 1HD2 ASN 26 42.160 37.029 48.886 204 HD22 ASN 26 2HD2 ASN 26 41.910 35.483 49.701 205 HA PRO 27 HA PRO 27 35.642 34.479 46.137 206 HB2 PRO 27 HB1 PRO 27 36.580 31.644 46.183 207 HB3 PRO 27 HB2 PRO 27 35.309 32.394 45.176 208 HG2 PRO 27 HG1 PRO 27 37.777 31.639 44.271 209 HG3 PRO 27 HG2 PRO 27 36.846 32.979 43.524 210 HD2 PRO 27 HD1 PRO 27 39.221 33.094 45.360 211 HD3 PRO 27 HD2 PRO 27 38.704 34.219 44.079 212 H ALA 28 H ALA 28 38.431 33.001 47.855 213 HA ALA 28 HA ALA 28 37.006 31.822 50.001 214 HB1 ALA 28 HB1 ALA 28 39.171 31.740 51.097 215 HB2 ALA 28 HB2 ALA 28 39.395 31.375 49.383 216 HB3 ALA 28 HB3 ALA 28 39.839 32.980 50.022 217 H SER 29 H SER 29 38.185 35.146 49.561 218 HA SER 29 HA SER 29 36.857 35.933 52.125 219 HB2 SER 29 HB2 SER 29 38.630 37.605 50.312 220 HB3 SER 29 HB1 SER 29 38.048 38.025 51.936 221 HG SER 29 HG SER 29 39.213 36.125 52.677 222 H ASN 30 H ASN 30 35.794 35.604 49.017 223 HA ASN 30 HA ASN 30 34.381 36.640 47.597 224 HB2 ASN 30 HB2 ASN 30 32.888 36.073 49.501 225 HB3 ASN 30 HB1 ASN 30 33.131 37.678 50.175 226 HD21 ASN 30 1HD2 ASN 30 31.923 36.014 47.257 227 HD22 ASN 30 2HD2 ASN 30 30.732 37.267 46.917 228 H LYS 31 H LYS 31 36.826 38.207 48.257 229 HA LYS 31 HA LYS 31 35.907 40.926 47.435 230 HB2 LYS 31 HB2 LYS 31 37.866 40.372 49.703 231 HB3 LYS 31 HB1 LYS 31 37.542 41.959 49.033 232 HG2 LYS 31 HG2 LYS 31 35.537 40.244 50.511 233 HG3 LYS 31 HG1 LYS 31 36.392 41.621 51.157 234 HD2 LYS 31 HD2 LYS 31 35.147 43.127 49.696 235 HD3 LYS 31 HD1 LYS 31 34.447 41.763 48.813 236 HE2 LYS 31 HE2 LYS 31 32.784 42.564 50.347 237 HE3 LYS 31 HE1 LYS 31 33.314 40.952 50.823 238 HZ1 LYS 31 HZ1 LYS 31 33.167 42.434 52.733 239 HZ2 LYS 31 HZ2 LYS 31 34.716 41.966 52.516 240 HZ3 LYS 31 HZ3 LYS 31 34.246 43.491 52.094 241 H CYS 32 H CYS 32 37.813 42.319 46.836 242 HA CYS 32 HA CYS 32 39.470 40.736 44.946 243 HB2 CYS 32 HB2 CYS 32 38.987 43.719 45.077 244 HB3 CYS 32 HB1 CYS 32 39.745 42.819 43.754 245 H LYS 33 H LYS 33 41.729 40.869 44.957 246 HA LYS 33 HA LYS 33 42.995 42.432 47.209 247 HB2 LYS 33 HB2 LYS 33 44.093 39.905 45.938 248 HB3 LYS 33 HB1 LYS 33 44.846 40.881 47.175 249 HG2 LYS 33 HG2 LYS 33 42.734 40.435 48.609 250 HG3 LYS 33 HG1 LYS 33 42.390 39.135 47.472 251 HD2 LYS 33 HD2 LYS 33 44.917 39.505 49.163 252 HD3 LYS 33 HD1 LYS 33 43.648 38.307 49.462 253 HE2 LYS 33 HE2 LYS 33 44.216 37.083 47.414 254 HE3 LYS 33 HE1 LYS 33 45.291 38.372 46.878 255 HZ1 LYS 33 HZ1 LYS 33 46.525 36.592 47.607 256 HZ2 LYS 33 HZ2 LYS 33 46.812 37.779 48.666 257 HZ3 LYS 33 HZ3 LYS 33 45.829 36.507 49.094 258 H GLU 34 H GLU 34 45.241 43.071 46.783 259 HA GLU 34 HA GLU 34 45.672 44.114 44.017 260 HB2 GLU 34 HB2 GLU 34 45.218 45.829 45.762 261 HB3 GLU 34 HB1 GLU 34 46.519 45.179 46.746 262 HG2 GLU 34 HG2 GLU 34 48.159 45.760 44.955 263 HG3 GLU 34 HG1 GLU 34 46.838 46.410 43.971 264 H PHE 35 H PHE 35 47.165 42.731 43.068 265 HA PHE 35 HA PHE 35 49.451 41.828 44.725 266 HB2 PHE 35 HB2 PHE 35 49.550 39.774 43.704 267 HB3 PHE 35 HB1 PHE 35 47.850 39.975 44.036 268 HD1 PHE 35 HD1 PHE 35 46.245 39.825 42.190 269 HD2 PHE 35 HD2 PHE 35 50.454 40.074 41.404 270 HE1 PHE 35 HE1 PHE 35 45.847 39.263 39.776 271 HE2 PHE 35 HE2 PHE 35 50.025 39.563 39.008 272 HZ PHE 35 HZ PHE 35 47.737 39.093 38.217 273 H ILE 36 H ILE 36 51.445 41.547 43.422 274 HA ILE 36 HA ILE 36 51.612 43.670 41.315 275 HB ILE 36 HB ILE 36 53.661 42.667 43.300 276 HG12 ILE 36 2HG1 ILE 36 52.310 44.564 44.036 277 HG13 ILE 36 1HG1 ILE 36 53.965 45.074 43.729 278 HG21 ILE 36 1HG2 ILE 36 55.304 44.125 42.002 279 HG22 ILE 36 2HG2 ILE 36 54.902 42.577 41.262 280 HG23 ILE 36 3HG2 ILE 36 54.137 44.054 40.654 281 HD11 ILE 36 HD1 ILE 36 52.513 46.799 42.907 282 HD12 ILE 36 HD2 ILE 36 53.163 45.996 41.468 283 HD13 ILE 36 HD3 ILE 36 51.512 45.654 42.019 284 H TYR 37 H TYR 37 51.553 43.037 39.413 285 HA TYR 37 HA TYR 37 52.192 40.322 38.566 286 HB2 TYR 37 HB2 TYR 37 50.183 41.375 37.802 287 HB3 TYR 37 HB1 TYR 37 51.069 42.740 37.159 288 HD1 TYR 37 HD1 TYR 37 50.085 39.215 36.639 289 HD2 TYR 37 HD2 TYR 37 52.441 42.492 35.139 290 HE1 TYR 37 HE1 TYR 37 50.367 38.035 34.453 291 HE2 TYR 37 HE2 TYR 37 52.612 41.380 32.927 292 HH TYR 37 HH TYR 37 52.005 39.544 31.671 293 H GLY 38 H GLY 38 53.603 39.700 37.050 294 HA2 GLY 38 HA2 GLY 38 56.050 41.335 36.746 295 HA3 GLY 38 HA1 GLY 38 55.918 39.596 36.520 296 H GLY 39 H GLY 39 54.969 38.817 34.590 297 HA2 GLY 39 HA2 GLY 39 54.249 39.946 32.234 298 HA3 GLY 39 HA1 GLY 39 55.934 40.449 32.319 299 H CYS 40 H CYS 40 55.163 37.276 33.624 300 HA CYS 40 HA CYS 40 56.431 36.003 31.215 301 HB2 CYS 40 HB2 CYS 40 56.773 35.432 34.164 302 HB3 CYS 40 HB1 CYS 40 57.151 34.253 32.941 303 H GLY 41 H GLY 41 53.471 36.237 32.766 304 HA2 GLY 41 HA2 GLY 41 52.349 33.828 31.816 305 HA3 GLY 41 HA1 GLY 41 52.800 33.596 33.516 306 H GLY 42 H GLY 42 50.852 33.730 34.605 307 HA2 GLY 42 HA2 GLY 42 49.336 35.415 35.604 308 HA3 GLY 42 HA1 GLY 42 49.080 36.071 33.995 309 H ASN 43 H ASN 43 47.134 35.146 35.729 310 HA ASN 43 HA ASN 43 46.032 32.725 34.400 311 HB2 ASN 43 HB2 ASN 43 44.592 32.673 36.438 312 HB3 ASN 43 HB1 ASN 43 46.304 32.585 36.813 313 HD21 ASN 43 1HD2 ASN 43 45.735 33.336 39.056 314 HD22 ASN 43 2HD2 ASN 43 45.030 34.927 39.207 315 H ALA 44 H ALA 44 43.363 33.117 34.642 316 HA ALA 44 HA ALA 44 42.874 35.332 32.726 317 HB1 ALA 44 HB1 ALA 44 40.679 34.159 32.430 318 HB2 ALA 44 HB2 ALA 44 42.105 33.165 32.057 319 HB3 ALA 44 HB3 ALA 44 41.239 32.920 33.585 320 H ASN 45 H ASN 45 42.554 34.992 36.132 321 HA ASN 45 HA ASN 45 40.408 37.052 36.172 322 HB2 ASN 45 HB2 ASN 45 39.985 36.614 38.458 323 HB3 ASN 45 HB1 ASN 45 39.986 35.066 37.638 324 HD21 ASN 45 1HD2 ASN 45 40.265 35.242 40.501 325 HD22 ASN 45 2HD2 ASN 45 41.875 34.577 40.703 326 H ASN 46 H ASN 46 43.128 37.478 35.264 327 HA ASN 46 HA ASN 46 44.469 39.103 37.276 328 HB2 ASN 46 HB2 ASN 46 46.041 39.512 35.439 329 HB3 ASN 46 HB1 ASN 46 45.767 37.777 35.659 330 HD21 ASN 46 1HD2 ASN 46 46.736 39.295 33.252 331 HD22 ASN 46 2HD2 ASN 46 45.569 38.817 32.018 332 H PHE 47 H PHE 47 43.373 40.915 37.820 333 HA PHE 47 HA PHE 47 42.054 42.528 35.673 334 HB2 PHE 47 HB2 PHE 47 41.669 42.824 38.657 335 HB3 PHE 47 HB1 PHE 47 40.636 43.406 37.372 336 HD1 PHE 47 HD1 PHE 47 40.384 40.898 35.686 337 HD2 PHE 47 HD2 PHE 47 40.367 41.448 39.951 338 HE1 PHE 47 HE1 PHE 47 39.101 38.808 35.953 339 HE2 PHE 47 HE2 PHE 47 38.874 39.535 40.177 340 HZ PHE 47 HZ PHE 47 38.291 38.116 38.197 341 H GLU 48 H GLU 48 42.318 44.802 35.706 342 HA GLU 48 HA GLU 48 44.949 45.690 36.692 343 HB2 GLU 48 HB2 GLU 48 42.663 47.101 35.279 344 HB3 GLU 48 HB1 GLU 48 44.135 47.928 35.799 345 HG2 GLU 48 HG2 GLU 48 44.415 47.324 33.503 346 HG3 GLU 48 HG1 GLU 48 45.518 46.372 34.492 347 H THR 49 H THR 49 41.639 46.047 37.780 348 HA THR 49 HA THR 49 42.580 47.187 40.338 349 HB THR 49 HB THR 49 40.897 48.978 40.349 350 HG1 THR 49 HG1 THR 49 40.807 48.656 37.565 351 HG21 THR 49 1HG2 THR 49 42.097 50.614 39.074 352 HG22 THR 49 2HG2 THR 49 43.277 49.504 39.799 353 HG23 THR 49 3HG2 THR 49 42.880 49.375 38.072 354 H ARG 50 H ARG 50 41.079 47.113 42.015 355 HA ARG 50 HA ARG 50 39.211 44.972 42.069 356 HB2 ARG 50 HB2 ARG 50 38.342 46.107 44.183 357 HB3 ARG 50 HB1 ARG 50 40.028 45.604 44.111 358 HG2 ARG 50 HG2 ARG 50 40.762 47.917 43.723 359 HG3 ARG 50 HG1 ARG 50 39.090 48.465 43.644 360 HD2 ARG 50 HD2 ARG 50 40.164 48.963 45.806 361 HD3 ARG 50 HD1 ARG 50 38.746 47.939 45.985 362 HE ARG 50 HE ARG 50 40.335 45.974 46.178 363 HH11 ARG 50 1HH1 ARG 50 41.633 49.132 47.057 364 HH12 ARG 50 2HH1 ARG 50 42.844 48.422 48.061 365 HH21 ARG 50 1HH2 ARG 50 41.837 45.168 47.582 366 HH22 ARG 50 2HH2 ARG 50 42.951 46.271 48.344 367 H ALA 51 H ALA 51 38.720 47.959 40.489 368 HA ALA 51 HA ALA 51 35.813 48.040 40.715 369 HB1 ALA 51 HB1 ALA 51 36.024 49.744 38.943 370 HB2 ALA 51 HB2 ALA 51 37.140 50.074 40.281 371 HB3 ALA 51 HB3 ALA 51 37.742 49.378 38.767 372 H GLU 52 H GLU 52 38.153 47.098 38.121 373 HA GLU 52 HA GLU 52 36.273 45.819 36.385 374 HB2 GLU 52 HB2 GLU 52 38.419 46.436 35.597 375 HB3 GLU 52 HB1 GLU 52 39.244 45.502 36.859 376 HG2 GLU 52 HG2 GLU 52 38.461 43.395 35.907 377 HG3 GLU 52 HG1 GLU 52 37.423 44.262 34.753 378 H CYS 53 H CYS 53 38.328 44.477 39.021 379 HA CYS 53 HA CYS 53 37.606 41.841 39.010 380 HB2 CYS 53 HB2 CYS 53 39.098 42.935 40.692 381 HB3 CYS 53 HB1 CYS 53 37.696 43.749 41.352 382 H ARG 54 H ARG 54 35.555 44.425 40.386 383 HA ARG 54 HA ARG 54 33.416 42.618 41.203 384 HB2 ARG 54 HB2 ARG 54 33.706 44.816 42.250 385 HB3 ARG 54 HB1 ARG 54 33.468 45.634 40.696 386 HG2 ARG 54 HG2 ARG 54 31.136 44.835 40.575 387 HG3 ARG 54 HG1 ARG 54 31.336 43.915 42.061 388 HD2 ARG 54 HD2 ARG 54 31.602 46.920 41.819 389 HD3 ARG 54 HD1 ARG 54 30.153 46.070 42.382 390 HE ARG 54 HE ARG 54 32.100 45.085 44.043 391 HH11 ARG 54 1HH1 ARG 54 31.096 48.367 43.311 392 HH12 ARG 54 2HH1 ARG 54 31.594 48.981 44.854 393 HH21 ARG 54 1HH2 ARG 54 32.707 45.934 46.022 394 HH22 ARG 54 2HH2 ARG 54 32.467 47.624 46.351 395 H HIS 55 H HIS 55 34.127 44.426 38.219 396 HA HIS 55 HA HIS 55 31.519 43.792 37.045 397 HB2 HIS 55 HB2 HIS 55 33.469 45.718 36.550 398 HB3 HIS 55 HB1 HIS 55 33.689 44.605 35.210 399 HD1 HIS 55 HD1 HIS 55 31.431 47.322 36.407 400 HD2 HIS 55 HD2 HIS 55 31.450 44.169 33.608 401 HE1 HIS 55 HE1 HIS 55 29.497 47.807 34.763 402 HE2 HIS 55 HE2 HIS 55 29.562 45.899 33.015 403 H THR 56 H THR 56 34.681 42.239 37.033 404 HA THR 56 HA THR 56 33.983 40.366 34.966 405 HB THR 56 HB THR 56 36.327 40.324 36.916 406 HG1 THR 56 HG1 THR 56 37.334 41.391 35.104 407 HG21 THR 56 1HG2 THR 56 37.356 39.190 34.796 408 HG22 THR 56 2HG2 THR 56 36.238 38.215 35.792 409 HG23 THR 56 3HG2 THR 56 35.700 38.952 34.263 410 H CYS 57 H CYS 57 34.228 40.084 38.534 411 HA CYS 57 HA CYS 57 33.082 37.328 38.295 412 HB2 CYS 57 HB2 CYS 57 34.558 38.613 40.601 413 HB3 CYS 57 HB1 CYS 57 34.042 36.926 40.504 414 H VAL 58 H VAL 58 32.733 40.313 40.301 415 HA VAL 58 HA VAL 58 30.281 39.158 41.500 416 HB VAL 58 HB VAL 58 31.465 41.811 42.273 417 HG11 VAL 58 1HG1 VAL 58 30.396 41.266 44.436 418 HG12 VAL 58 2HG1 VAL 58 29.187 41.236 43.146 419 HG13 VAL 58 3HG1 VAL 58 29.842 39.710 43.783 420 HG21 VAL 58 1HG2 VAL 58 32.649 40.618 44.102 421 HG22 VAL 58 2HG2 VAL 58 32.259 39.078 43.302 422 HG23 VAL 58 3HG2 VAL 58 33.320 40.259 42.509 423 H ALA 59 H ALA 59 29.710 39.373 39.027 424 HA ALA 59 HA ALA 59 27.819 41.656 38.806 425 HB1 ALA 59 HB1 ALA 59 28.524 42.044 36.468 426 HB2 ALA 59 HB2 ALA 59 29.855 42.319 37.593 427 HB3 ALA 59 HB3 ALA 59 29.798 40.817 36.650 428 H SER 60 H SER 60 26.629 41.103 36.492 429 HA SER 60 HA SER 60 24.690 39.922 35.913 430 HB2 SER 60 HB2 SER 60 25.386 37.942 34.594 431 HB3 SER 60 HB1 SER 60 26.274 39.427 34.277 432 HG SER 60 HG SER 60 27.387 37.219 34.766 433 H ARG 61 H ARG 61 25.284 39.300 38.820 434 HA ARG 61 HA ARG 61 24.182 36.675 39.199 435 HB2 ARG 61 HB2 ARG 61 24.511 37.164 41.563 436 HB3 ARG 61 HB1 ARG 61 25.943 37.481 40.587 437 HG2 ARG 61 HG2 ARG 61 25.556 39.902 40.639 438 HG3 ARG 61 HG1 ARG 61 24.045 39.692 41.529 439 HD2 ARG 61 HD2 ARG 61 26.817 38.940 42.513 440 HD3 ARG 61 HD1 ARG 61 25.886 40.381 42.973 441 HE ARG 61 HE ARG 61 24.339 38.017 43.483 442 HH11 ARG 61 1HH1 ARG 61 27.004 39.828 44.850 443 HH12 ARG 61 2HH1 ARG 61 26.760 39.159 46.447 444 HH21 ARG 61 1HH2 ARG 61 24.105 37.172 45.536 445 HH22 ARG 61 2HH2 ARG 61 25.140 37.691 46.816 446 H LYS 62 H LYS 62 22.159 37.449 37.853 447 HA LYS 62 HA LYS 62 19.979 37.760 39.781 448 HB2 LYS 62 HB2 LYS 62 18.804 39.518 38.684 449 HB3 LYS 62 HB1 LYS 62 20.357 40.124 39.203 450 HG2 LYS 62 HG2 LYS 62 19.733 39.236 36.324 451 HG3 LYS 62 HG1 LYS 62 19.468 40.864 36.915 452 HD2 LYS 62 HD2 LYS 62 22.200 39.517 36.816 453 HD3 LYS 62 HD1 LYS 62 21.551 40.634 35.623 454 HE2 LYS 62 HE2 LYS 62 21.217 42.361 37.390 455 HE3 LYS 62 HE1 LYS 62 21.955 41.274 38.584 456 HZ1 LYS 62 HZ1 LYS 62 23.517 42.904 37.658 457 HZ2 LYS 62 HZ2 LYS 62 24.006 41.365 37.320 458 HZ3 LYS 62 HZ3 LYS 62 23.298 42.303 36.151 459 H GLY 63 H GLY 63 18.060 36.847 39.143 460 HA2 GLY 63 HA2 GLY 63 16.591 35.632 37.766 461 HA3 GLY 63 HA1 GLY 63 17.724 35.765 36.418 462 H GLY 64 H GLY 64 17.851 33.607 35.881 463 HA2 GLY 64 HA2 GLY 64 19.443 31.840 37.539 464 HA3 GLY 64 HA1 GLY 64 17.758 31.337 37.454 465 HA PRO 65 HA PRO 65 18.536 29.432 33.532 466 HB2 PRO 65 HB1 PRO 65 16.513 30.184 31.817 467 HB3 PRO 65 HB2 PRO 65 16.287 29.057 33.189 468 HG2 PRO 65 HG1 PRO 65 15.748 32.044 33.128 469 HG3 PRO 65 HG2 PRO 65 14.662 30.736 33.715 470 HD2 PRO 65 HD1 PRO 65 16.181 32.162 35.437 471 HD3 PRO 65 HD2 PRO 65 15.977 30.407 35.669 472 H ARG 66 H ARG 66 19.670 29.738 31.688 473 HA ARG 66 HA ARG 66 20.137 32.498 30.639 474 HB2 ARG 66 HB2 ARG 66 22.549 32.114 30.681 475 HB3 ARG 66 HB1 ARG 66 21.850 32.092 32.296 476 HG2 ARG 66 HG2 ARG 66 21.943 29.656 32.417 477 HG3 ARG 66 HG1 ARG 66 22.485 29.533 30.733 478 HD2 ARG 66 HD2 ARG 66 24.012 30.897 32.978 479 HD3 ARG 66 HD1 ARG 66 24.298 29.258 32.378 480 HE ARG 66 HE ARG 66 24.375 31.271 30.273 481 HH11 ARG 66 1HH1 ARG 66 26.329 29.619 32.636 482 HH12 ARG 66 2HH1 ARG 66 27.818 29.920 31.792 483 HH21 ARG 66 1HH2 ARG 66 26.308 31.699 29.255 484 HH22 ARG 66 2HH2 ARG 66 27.806 31.109 29.902 485 H ARG 67 H ARG 67 18.478 30.816 29.382 486 HA ARG 67 HA ARG 67 19.964 29.934 26.925 487 HB2 ARG 67 HB2 ARG 67 19.147 27.979 28.180 488 HB3 ARG 67 HB1 ARG 67 17.521 28.661 28.208 489 HG2 ARG 67 HG2 ARG 67 17.533 28.627 25.657 490 HG3 ARG 67 HG1 ARG 67 19.117 27.859 25.731 491 HD2 ARG 67 HD2 ARG 67 17.436 26.186 25.374 492 HD3 ARG 67 HD1 ARG 67 18.098 25.964 27.009 493 HE ARG 67 HE ARG 67 15.879 27.651 27.300 494 HH11 ARG 67 1HH1 ARG 67 16.197 24.532 25.788 495 HH12 ARG 67 2HH1 ARG 67 14.580 24.035 26.195 496 HH21 ARG 67 1HH2 ARG 67 13.820 26.966 27.832 497 HH22 ARG 67 2HH2 ARG 67 13.272 25.396 27.350 498 HA PRO 68 HA PRO 68 17.243 33.396 25.575 499 HB2 PRO 68 HB1 PRO 68 18.995 32.936 23.151 500 HB3 PRO 68 HB2 PRO 68 18.497 34.479 23.909 501 HG2 PRO 68 HG1 PRO 68 20.995 33.496 24.282 502 HG3 PRO 68 HG2 PRO 68 20.096 34.216 25.658 503 HD2 PRO 68 HD1 PRO 68 20.404 31.282 24.930 504 HD3 PRO 68 HD2 PRO 68 20.610 32.086 26.531 Start of MODEL 15 1 H PCA 1 H PGA 1 28.379 27.062 38.315 2 HA PCA 1 HA PGA 1 27.269 28.756 39.879 3 HB2 PCA 1 HB1 PGA 1 29.236 30.589 40.476 4 HB3 PCA 1 HB2 PGA 1 29.064 29.050 41.358 5 HG2 PCA 1 HG1 PGA 1 31.012 29.730 39.152 6 HG3 PCA 1 HG2 PGA 1 31.270 28.722 40.624 7 H ASP 2 H ASP 2 26.936 31.221 39.454 8 HA ASP 2 HA ASP 2 26.661 31.786 36.700 9 HB2 ASP 2 HB2 ASP 2 26.673 33.764 39.033 10 HB3 ASP 2 HB1 ASP 2 25.856 33.939 37.481 11 H ARG 3 H ARG 3 29.150 32.763 38.988 12 HA ARG 3 HA ARG 3 30.281 34.804 37.207 13 HB2 ARG 3 HB2 ARG 3 31.684 35.416 38.993 14 HB3 ARG 3 HB1 ARG 3 30.192 34.910 39.776 15 HG2 ARG 3 HG2 ARG 3 31.285 32.630 40.169 16 HG3 ARG 3 HG1 ARG 3 32.781 33.308 39.481 17 HD2 ARG 3 HD2 ARG 3 32.970 33.443 41.852 18 HD3 ARG 3 HD1 ARG 3 32.784 35.076 41.187 19 HE ARG 3 HE ARG 3 30.281 33.832 42.030 20 HH11 ARG 3 1HH1 ARG 3 32.904 35.856 43.089 21 HH12 ARG 3 2HH1 ARG 3 31.999 36.558 44.413 22 HH21 ARG 3 1HH2 ARG 3 29.141 34.779 43.678 23 HH22 ARG 3 2HH2 ARG 3 29.922 35.919 44.740 24 HA PRO 4 HA PRO 4 33.102 32.334 34.982 25 HB2 PRO 4 HB1 PRO 4 35.483 33.789 35.005 26 HB3 PRO 4 HB2 PRO 4 34.074 34.102 33.940 27 HG2 PRO 4 HG1 PRO 4 34.807 35.464 36.537 28 HG3 PRO 4 HG2 PRO 4 34.197 36.197 35.023 29 HD2 PRO 4 HD1 PRO 4 32.619 35.707 37.165 30 HD3 PRO 4 HD2 PRO 4 31.997 35.525 35.491 31 H LYS 5 H LYS 5 34.424 30.666 35.274 32 HA LYS 5 HA LYS 5 35.237 29.856 37.912 33 HB2 LYS 5 HB2 LYS 5 36.126 28.622 35.279 34 HB3 LYS 5 HB1 LYS 5 36.006 27.845 36.862 35 HG2 LYS 5 HG2 LYS 5 33.526 28.102 36.802 36 HG3 LYS 5 HG1 LYS 5 33.657 28.888 35.209 37 HD2 LYS 5 HD2 LYS 5 34.784 26.835 34.312 38 HD3 LYS 5 HD1 LYS 5 34.455 26.032 35.868 39 HE2 LYS 5 HE2 LYS 5 32.028 26.450 35.576 40 HE3 LYS 5 HE1 LYS 5 32.343 27.295 34.067 41 HZ1 LYS 5 HZ1 LYS 5 31.687 25.013 33.658 42 HZ2 LYS 5 HZ2 LYS 5 33.230 25.216 33.150 43 HZ3 LYS 5 HZ3 LYS 5 32.924 24.428 34.567 44 H PHE 6 H PHE 6 37.082 31.232 35.180 45 HA PHE 6 HA PHE 6 39.669 30.807 36.290 46 HB2 PHE 6 HB2 PHE 6 40.410 32.544 34.787 47 HB3 PHE 6 HB1 PHE 6 39.397 31.377 33.967 48 HD1 PHE 6 HD1 PHE 6 39.353 34.820 35.502 49 HD2 PHE 6 HD2 PHE 6 37.577 32.119 32.631 50 HE1 PHE 6 HE1 PHE 6 37.942 36.651 34.635 51 HE2 PHE 6 HE2 PHE 6 36.199 33.988 31.746 52 HZ PHE 6 HZ PHE 6 36.371 36.250 32.757 53 H CYS 7 H CYS 7 37.161 32.980 37.276 54 HA CYS 7 HA CYS 7 38.838 34.932 38.587 55 HB2 CYS 7 HB2 CYS 7 36.459 35.089 37.685 56 HB3 CYS 7 HB1 CYS 7 35.937 34.267 39.155 57 H TYR 8 H TYR 8 38.123 31.679 39.381 58 HA TYR 8 HA TYR 8 38.408 32.030 42.316 59 HB2 TYR 8 HB2 TYR 8 38.007 29.578 40.548 60 HB3 TYR 8 HB1 TYR 8 38.208 29.531 42.285 61 HD1 TYR 8 HD1 TYR 8 35.980 31.040 39.652 62 HD2 TYR 8 HD2 TYR 8 36.361 29.634 43.700 63 HE1 TYR 8 HE1 TYR 8 33.530 31.268 39.946 64 HE2 TYR 8 HE2 TYR 8 33.909 29.923 44.022 65 HH TYR 8 HH TYR 8 31.935 30.429 43.022 66 H LEU 9 H LEU 9 40.373 31.360 39.535 67 HA LEU 9 HA LEU 9 42.385 29.747 40.676 68 HB2 LEU 9 HB2 LEU 9 42.573 31.936 38.578 69 HB3 LEU 9 HB1 LEU 9 43.830 30.741 38.898 70 HG LEU 9 HG LEU 9 41.026 29.995 37.971 71 HD11 LEU 9 1HD1 LEU 9 41.998 29.742 35.733 72 HD12 LEU 9 2HD1 LEU 9 42.199 31.418 36.294 73 HD13 LEU 9 3HD1 LEU 9 43.572 30.291 36.330 74 HD21 LEU 9 1HD2 LEU 9 42.130 27.861 37.335 75 HD22 LEU 9 2HD2 LEU 9 43.657 28.444 38.018 76 HD23 LEU 9 3HD2 LEU 9 42.256 28.156 39.073 77 HA PRO 10 HA PRO 10 43.883 32.672 43.787 78 HB2 PRO 10 HB1 PRO 10 46.397 31.576 44.220 79 HB3 PRO 10 HB2 PRO 10 44.869 30.999 44.953 80 HG2 PRO 10 HG1 PRO 10 46.268 29.950 42.488 81 HG3 PRO 10 HG2 PRO 10 45.573 29.018 43.856 82 HD2 PRO 10 HD1 PRO 10 44.240 29.309 41.553 83 HD3 PRO 10 HD2 PRO 10 43.355 29.427 43.110 84 H ASP 11 H ASP 11 45.686 34.276 44.036 85 HA ASP 11 HA ASP 11 46.122 35.667 41.575 86 HB2 ASP 11 HB2 ASP 11 47.704 37.032 42.939 87 HB3 ASP 11 HB1 ASP 11 46.080 36.935 43.586 88 H ASP 12 H ASP 12 47.391 35.080 40.007 89 HA ASP 12 HA ASP 12 49.926 33.629 40.595 90 HB2 ASP 12 HB2 ASP 12 48.101 32.375 39.398 91 HB3 ASP 12 HB1 ASP 12 48.317 33.476 38.032 92 HA PRO 13 HA PRO 13 51.215 37.737 38.786 93 HB2 PRO 13 HB1 PRO 13 53.431 37.960 40.494 94 HB3 PRO 13 HB2 PRO 13 51.810 38.642 40.794 95 HG2 PRO 13 HG1 PRO 13 52.908 36.085 41.890 96 HG3 PRO 13 HG2 PRO 13 52.013 37.391 42.743 97 HD2 PRO 13 HD1 PRO 13 50.794 35.156 41.892 98 HD3 PRO 13 HD2 PRO 13 49.958 36.739 41.766 99 H GLY 14 H GLY 14 52.341 34.563 39.082 100 HA2 GLY 14 HA2 GLY 14 53.767 33.321 37.781 101 HA3 GLY 14 HA1 GLY 14 54.277 34.784 36.920 102 H VAL 15 H VAL 15 56.390 33.739 37.127 103 HA VAL 15 HA VAL 15 57.681 34.031 39.798 104 HB VAL 15 HB VAL 15 59.265 32.323 39.019 105 HG11 VAL 15 1HG1 VAL 15 57.732 30.448 39.203 106 HG12 VAL 15 2HG1 VAL 15 57.237 31.735 40.312 107 HG13 VAL 15 3HG1 VAL 15 56.339 31.473 38.798 108 HG21 VAL 15 1HG2 VAL 15 58.784 31.006 37.005 109 HG22 VAL 15 2HG2 VAL 15 57.434 32.069 36.571 110 HG23 VAL 15 3HG2 VAL 15 59.112 32.686 36.563 111 H CYS 16 H CYS 16 57.557 36.024 37.319 112 HA CYS 16 HA CYS 16 60.381 36.521 36.790 113 HB2 CYS 16 HB2 CYS 16 57.773 37.740 36.073 114 HB3 CYS 16 HB1 CYS 16 59.099 38.878 36.167 115 H LYS 17 H LYS 17 58.464 37.258 39.493 116 HA LYS 17 HA LYS 17 58.602 38.763 41.220 117 HB2 LYS 17 HB2 LYS 17 60.691 37.172 41.243 118 HB3 LYS 17 HB1 LYS 17 61.610 38.589 40.761 119 HG2 LYS 17 HG2 LYS 17 61.825 38.331 43.108 120 HG3 LYS 17 HG1 LYS 17 60.794 39.735 42.881 121 HD2 LYS 17 HD2 LYS 17 58.768 38.226 43.262 122 HD3 LYS 17 HD1 LYS 17 59.888 36.916 43.644 123 HE2 LYS 17 HE2 LYS 17 59.650 39.609 45.067 124 HE3 LYS 17 HE1 LYS 17 59.011 38.070 45.658 125 HZ1 LYS 17 HZ1 LYS 17 61.160 38.592 46.677 126 HZ2 LYS 17 HZ2 LYS 17 61.298 37.238 45.752 127 HZ3 LYS 17 HZ3 LYS 17 61.881 38.659 45.200 128 H ALA 18 H ALA 18 58.482 40.079 38.554 129 HA ALA 18 HA ALA 18 59.925 42.572 38.842 130 HB1 ALA 18 HB1 ALA 18 58.905 43.206 36.815 131 HB2 ALA 18 HB2 ALA 18 59.151 41.465 36.655 132 HB3 ALA 18 HB3 ALA 18 57.533 42.109 37.037 133 H HIS 19 H HIS 19 57.479 44.216 38.064 134 HA HIS 19 HA HIS 19 55.971 44.327 40.562 135 HB2 HIS 19 HB2 HIS 19 58.446 45.444 40.715 136 HB3 HIS 19 HB1 HIS 19 57.574 46.834 40.161 137 HD1 HIS 19 HD1 HIS 19 55.898 47.908 41.989 138 HD2 HIS 19 HD2 HIS 19 57.765 44.273 43.037 139 HE1 HIS 19 HE1 HIS 19 55.444 47.580 44.522 140 HE2 HIS 19 HE2 HIS 19 56.586 45.347 45.159 141 H ILE 20 H ILE 20 54.360 43.981 38.800 142 HA ILE 20 HA ILE 20 53.576 46.588 37.578 143 HB ILE 20 HB ILE 20 52.612 43.913 36.594 144 HG12 ILE 20 2HG1 ILE 20 55.187 45.350 35.881 145 HG13 ILE 20 1HG1 ILE 20 54.983 43.680 36.403 146 HG21 ILE 20 1HG2 ILE 20 52.137 45.267 34.568 147 HG22 ILE 20 2HG2 ILE 20 51.343 45.939 35.983 148 HG23 ILE 20 3HG2 ILE 20 52.826 46.690 35.351 149 HD11 ILE 20 HD1 ILE 20 55.472 43.594 34.098 150 HD12 ILE 20 HD2 ILE 20 53.722 43.292 34.189 151 HD13 ILE 20 HD3 ILE 20 54.333 44.885 33.705 152 HA PRO 21 HA PRO 21 50.265 46.374 40.666 153 HB2 PRO 21 HB1 PRO 21 49.061 48.470 38.854 154 HB3 PRO 21 HB2 PRO 21 49.208 48.466 40.644 155 HG2 PRO 21 HG1 PRO 21 50.889 49.954 39.130 156 HG3 PRO 21 HG2 PRO 21 51.526 49.016 40.522 157 HD2 PRO 21 HD1 PRO 21 51.606 48.288 37.582 158 HD3 PRO 21 HD2 PRO 21 52.893 48.173 38.821 159 H ARG 22 H ARG 22 48.836 44.739 40.621 160 HA ARG 22 HA ARG 22 47.002 44.449 38.314 161 HB2 ARG 22 HB2 ARG 22 49.189 43.000 38.160 162 HB3 ARG 22 HB1 ARG 22 48.470 42.046 39.447 163 HG2 ARG 22 HG2 ARG 22 47.944 40.939 37.412 164 HG3 ARG 22 HG1 ARG 22 46.449 41.705 37.900 165 HD2 ARG 22 HD2 ARG 22 46.617 42.156 35.579 166 HD3 ARG 22 HD1 ARG 22 47.118 43.662 36.343 167 HE ARG 22 HE ARG 22 49.187 41.645 35.595 168 HH11 ARG 22 1HH1 ARG 22 47.521 44.525 34.520 169 HH12 ARG 22 2HH1 ARG 22 48.905 45.172 33.722 170 HH21 ARG 22 1HH2 ARG 22 50.832 42.332 34.337 171 HH22 ARG 22 2HH2 ARG 22 50.711 43.848 33.481 172 H PHE 23 H PHE 23 45.259 42.958 38.799 173 HA PHE 23 HA PHE 23 44.594 42.767 41.701 174 HB2 PHE 23 HB2 PHE 23 43.005 43.913 39.397 175 HB3 PHE 23 HB1 PHE 23 42.226 43.366 40.866 176 HD1 PHE 23 HD1 PHE 23 42.072 44.811 42.711 177 HD2 PHE 23 HD2 PHE 23 44.886 45.714 39.586 178 HE1 PHE 23 HE1 PHE 23 42.513 47.047 43.736 179 HE2 PHE 23 HE2 PHE 23 45.365 47.890 40.627 180 HZ PHE 23 HZ PHE 23 44.166 48.581 42.679 181 H TYR 24 H TYR 24 43.365 41.101 42.357 182 HA TYR 24 HA TYR 24 42.301 39.215 40.352 183 HB2 TYR 24 HB2 TYR 24 43.867 37.672 40.640 184 HB3 TYR 24 HB1 TYR 24 44.705 38.635 41.823 185 HD1 TYR 24 HD1 TYR 24 43.755 38.653 44.222 186 HD2 TYR 24 HD2 TYR 24 43.175 35.538 41.378 187 HE1 TYR 24 HE1 TYR 24 43.187 37.064 46.086 188 HE2 TYR 24 HE2 TYR 24 42.373 34.022 43.169 189 HH TYR 24 HH TYR 24 42.216 33.708 45.396 190 H TYR 25 H TYR 25 40.488 38.122 41.028 191 HA TYR 25 HA TYR 25 39.233 39.257 43.473 192 HB2 TYR 25 HB2 TYR 25 38.042 38.934 41.143 193 HB3 TYR 25 HB1 TYR 25 37.830 37.298 41.773 194 HD1 TYR 25 HD1 TYR 25 36.868 40.799 42.092 195 HD2 TYR 25 HD2 TYR 25 36.446 36.890 43.778 196 HE1 TYR 25 HE1 TYR 25 35.012 41.633 43.522 197 HE2 TYR 25 HE2 TYR 25 34.507 37.683 45.121 198 HH TYR 25 HH TYR 25 33.192 39.509 45.709 199 H ASN 26 H ASN 26 39.009 38.093 45.372 200 HA ASN 26 HA ASN 26 39.691 35.185 45.279 201 HB2 ASN 26 HB2 ASN 26 41.029 36.610 46.811 202 HB3 ASN 26 HB1 ASN 26 39.559 37.076 47.653 203 HD21 ASN 26 1HD2 ASN 26 40.868 36.071 49.507 204 HD22 ASN 26 2HD2 ASN 26 40.569 34.352 49.722 205 HA PRO 27 HA PRO 27 35.070 35.013 45.523 206 HB2 PRO 27 HB1 PRO 27 35.905 32.182 44.828 207 HB3 PRO 27 HB2 PRO 27 34.428 33.075 44.319 208 HG2 PRO 27 HG1 PRO 27 36.480 32.928 42.612 209 HG3 PRO 27 HG2 PRO 27 35.728 34.514 42.915 210 HD2 PRO 27 HD1 PRO 27 38.285 33.443 44.135 211 HD3 PRO 27 HD2 PRO 27 37.922 35.038 43.416 212 H ALA 28 H ALA 28 37.586 32.931 47.025 213 HA ALA 28 HA ALA 28 35.991 31.491 48.826 214 HB1 ALA 28 HB1 ALA 28 38.037 31.161 50.067 215 HB2 ALA 28 HB2 ALA 28 38.466 31.186 48.345 216 HB3 ALA 28 HB3 ALA 28 38.783 32.605 49.378 217 H SER 29 H SER 29 37.270 34.800 49.183 218 HA SER 29 HA SER 29 35.503 35.174 51.590 219 HB2 SER 29 HB2 SER 29 37.810 36.943 50.792 220 HB3 SER 29 HB1 SER 29 36.897 36.951 52.310 221 HG SER 29 HG SER 29 37.766 34.699 52.503 222 H ASN 30 H ASN 30 34.996 35.414 48.555 223 HA ASN 30 HA ASN 30 34.261 36.838 46.987 224 HB2 ASN 30 HB2 ASN 30 32.323 36.161 48.381 225 HB3 ASN 30 HB1 ASN 30 32.472 37.679 49.276 226 HD21 ASN 30 1HD2 ASN 30 30.443 38.468 48.633 227 HD22 ASN 30 2HD2 ASN 30 30.112 38.941 46.971 228 H LYS 31 H LYS 31 36.594 38.005 47.639 229 HA LYS 31 HA LYS 31 36.029 40.911 47.420 230 HB2 LYS 31 HB2 LYS 31 36.045 40.717 49.758 231 HB3 LYS 31 HB1 LYS 31 37.371 39.560 49.760 232 HG2 LYS 31 HG2 LYS 31 37.980 42.306 48.703 233 HG3 LYS 31 HG1 LYS 31 37.610 42.209 50.413 234 HD2 LYS 31 HD2 LYS 31 39.720 40.367 49.220 235 HD3 LYS 31 HD1 LYS 31 40.081 42.026 49.666 236 HE2 LYS 31 HE2 LYS 31 40.723 40.662 51.495 237 HE3 LYS 31 HE1 LYS 31 39.343 41.626 51.977 238 HZ1 LYS 31 HZ1 LYS 31 39.138 39.343 52.741 239 HZ2 LYS 31 HZ2 LYS 31 37.940 39.652 51.674 240 HZ3 LYS 31 HZ3 LYS 31 39.240 38.761 51.213 241 H CYS 32 H CYS 32 37.331 41.860 46.012 242 HA CYS 32 HA CYS 32 39.644 40.506 44.881 243 HB2 CYS 32 HB2 CYS 32 37.989 41.999 43.643 244 HB3 CYS 32 HB1 CYS 32 38.723 43.363 44.473 245 H LYS 33 H LYS 33 41.788 41.350 44.744 246 HA LYS 33 HA LYS 33 42.574 43.402 46.749 247 HB2 LYS 33 HB2 LYS 33 44.240 42.143 47.788 248 HB3 LYS 33 HB1 LYS 33 42.906 40.994 47.664 249 HG2 LYS 33 HG2 LYS 33 44.035 40.219 45.477 250 HG3 LYS 33 HG1 LYS 33 45.433 41.169 45.976 251 HD2 LYS 33 HD2 LYS 33 45.540 39.815 48.090 252 HD3 LYS 33 HD1 LYS 33 44.242 38.779 47.453 253 HE2 LYS 33 HE2 LYS 33 45.671 38.275 45.453 254 HE3 LYS 33 HE1 LYS 33 46.937 39.303 46.109 255 HZ1 LYS 33 HZ1 LYS 33 47.493 37.105 46.563 256 HZ2 LYS 33 HZ2 LYS 33 47.034 37.653 48.032 257 HZ3 LYS 33 HZ3 LYS 33 46.099 36.638 47.043 258 H GLU 34 H GLU 34 44.781 44.216 46.337 259 HA GLU 34 HA GLU 34 45.473 44.318 43.450 260 HB2 GLU 34 HB2 GLU 34 44.983 46.449 44.661 261 HB3 GLU 34 HB1 GLU 34 46.319 46.128 45.750 262 HG2 GLU 34 HG2 GLU 34 46.692 46.252 42.725 263 HG3 GLU 34 HG1 GLU 34 46.642 47.706 43.705 264 H PHE 35 H PHE 35 47.262 43.193 42.859 265 HA PHE 35 HA PHE 35 49.202 42.310 44.873 266 HB2 PHE 35 HB2 PHE 35 49.295 40.094 44.174 267 HB3 PHE 35 HB1 PHE 35 47.572 40.392 44.308 268 HD1 PHE 35 HD1 PHE 35 46.156 40.234 42.304 269 HD2 PHE 35 HD2 PHE 35 50.417 39.979 41.964 270 HE1 PHE 35 HE1 PHE 35 45.931 39.351 39.965 271 HE2 PHE 35 HE2 PHE 35 50.178 39.295 39.588 272 HZ PHE 35 HZ PHE 35 47.945 38.857 38.628 273 H ILE 36 H ILE 36 51.318 42.091 44.037 274 HA ILE 36 HA ILE 36 51.737 43.633 41.570 275 HB ILE 36 HB ILE 36 53.337 43.010 43.968 276 HG12 ILE 36 2HG1 ILE 36 54.418 45.195 42.910 277 HG13 ILE 36 1HG1 ILE 36 52.988 45.231 41.923 278 HG21 ILE 36 1HG2 ILE 36 55.548 43.249 42.823 279 HG22 ILE 36 2HG2 ILE 36 54.775 41.697 42.630 280 HG23 ILE 36 3HG2 ILE 36 54.729 42.844 41.291 281 HD11 ILE 36 HD1 ILE 36 52.657 46.585 43.937 282 HD12 ILE 36 HD2 ILE 36 51.601 45.177 44.035 283 HD13 ILE 36 HD3 ILE 36 53.106 45.219 44.976 284 H TYR 37 H TYR 37 51.754 42.811 39.701 285 HA TYR 37 HA TYR 37 52.273 39.981 39.181 286 HB2 TYR 37 HB2 TYR 37 50.447 41.042 38.094 287 HB3 TYR 37 HB1 TYR 37 51.465 42.323 37.474 288 HD1 TYR 37 HD1 TYR 37 50.352 38.837 37.017 289 HD2 TYR 37 HD2 TYR 37 53.079 41.892 35.669 290 HE1 TYR 37 HE1 TYR 37 50.809 37.539 34.952 291 HE2 TYR 37 HE2 TYR 37 53.432 40.644 33.543 292 HH TYR 37 HH TYR 37 52.855 38.763 32.303 293 H GLY 38 H GLY 38 53.804 39.108 37.896 294 HA2 GLY 38 HA2 GLY 38 56.431 40.466 37.853 295 HA3 GLY 38 HA1 GLY 38 56.117 38.745 37.664 296 H GLY 39 H GLY 39 55.096 38.038 35.623 297 HA2 GLY 39 HA2 GLY 39 54.912 38.992 33.174 298 HA3 GLY 39 HA1 GLY 39 56.603 39.417 33.435 299 H CYS 40 H CYS 40 56.286 36.544 35.043 300 HA CYS 40 HA CYS 40 57.247 34.996 32.668 301 HB2 CYS 40 HB2 CYS 40 57.821 34.641 35.612 302 HB3 CYS 40 HB1 CYS 40 58.311 33.530 34.366 303 H GLY 41 H GLY 41 54.476 35.206 32.836 304 HA2 GLY 41 HA2 GLY 41 53.239 32.929 32.537 305 HA3 GLY 41 HA1 GLY 41 53.517 32.781 34.283 306 H GLY 42 H GLY 42 51.500 32.999 35.138 307 HA2 GLY 42 HA2 GLY 42 49.887 34.509 35.982 308 HA3 GLY 42 HA1 GLY 42 49.930 35.450 34.497 309 H ASN 43 H ASN 43 47.581 34.960 35.217 310 HA ASN 43 HA ASN 43 46.556 32.762 33.518 311 HB2 ASN 43 HB2 ASN 43 45.006 32.101 35.306 312 HB3 ASN 43 HB1 ASN 43 46.671 31.977 35.874 313 HD21 ASN 43 1HD2 ASN 43 45.052 31.955 37.886 314 HD22 ASN 43 2HD2 ASN 43 44.990 33.513 38.670 315 H ALA 44 H ALA 44 43.998 33.080 33.439 316 HA ALA 44 HA ALA 44 43.465 35.656 32.320 317 HB1 ALA 44 HB1 ALA 44 41.107 34.820 32.268 318 HB2 ALA 44 HB2 ALA 44 42.279 33.664 31.604 319 HB3 ALA 44 HB3 ALA 44 41.623 33.410 33.224 320 H ASN 45 H ASN 45 43.780 34.948 35.635 321 HA ASN 45 HA ASN 45 41.720 36.909 36.516 322 HB2 ASN 45 HB2 ASN 45 41.992 34.576 37.564 323 HB3 ASN 45 HB1 ASN 45 43.466 35.161 38.282 324 HD21 ASN 45 1HD2 ASN 45 41.599 34.312 39.969 325 HD22 ASN 45 2HD2 ASN 45 40.742 35.625 40.735 326 H ASN 46 H ASN 46 42.879 38.644 35.521 327 HA ASN 46 HA ASN 46 44.873 39.825 37.298 328 HB2 ASN 46 HB2 ASN 46 46.692 39.879 35.774 329 HB3 ASN 46 HB1 ASN 46 46.176 38.210 35.848 330 HD21 ASN 46 1HD2 ASN 46 44.044 38.229 33.918 331 HD22 ASN 46 2HD2 ASN 46 44.805 38.664 32.391 332 H PHE 47 H PHE 47 43.816 41.666 37.586 333 HA PHE 47 HA PHE 47 42.853 43.228 35.200 334 HB2 PHE 47 HB2 PHE 47 41.741 42.852 38.010 335 HB3 PHE 47 HB1 PHE 47 41.259 44.188 36.989 336 HD1 PHE 47 HD1 PHE 47 40.826 43.190 34.365 337 HD2 PHE 47 HD2 PHE 47 40.149 41.144 38.093 338 HE1 PHE 47 HE1 PHE 47 39.231 41.704 33.245 339 HE2 PHE 47 HE2 PHE 47 38.534 39.628 36.973 340 HZ PHE 47 HZ PHE 47 38.129 39.885 34.499 341 H GLU 48 H GLU 48 42.802 45.578 35.436 342 HA GLU 48 HA GLU 48 45.287 46.522 36.720 343 HB2 GLU 48 HB2 GLU 48 43.262 47.771 34.827 344 HB3 GLU 48 HB1 GLU 48 44.612 48.668 35.534 345 HG2 GLU 48 HG2 GLU 48 45.231 47.923 33.323 346 HG3 GLU 48 HG1 GLU 48 46.238 47.143 34.541 347 H THR 49 H THR 49 41.910 46.580 37.363 348 HA THR 49 HA THR 49 42.397 48.025 39.916 349 HB THR 49 HB THR 49 40.387 49.346 39.618 350 HG1 THR 49 HG1 THR 49 40.295 48.123 37.062 351 HG21 THR 49 1HG2 THR 49 41.074 50.971 38.014 352 HG22 THR 49 2HG2 THR 49 42.517 50.339 38.852 353 HG23 THR 49 3HG2 THR 49 42.138 49.802 37.202 354 H ARG 50 H ARG 50 40.678 47.878 41.421 355 HA ARG 50 HA ARG 50 39.377 45.286 41.570 356 HB2 ARG 50 HB2 ARG 50 38.356 46.277 43.708 357 HB3 ARG 50 HB1 ARG 50 40.107 46.060 43.624 358 HG2 ARG 50 HG2 ARG 50 40.512 48.400 43.217 359 HG3 ARG 50 HG1 ARG 50 38.790 48.737 42.997 360 HD2 ARG 50 HD2 ARG 50 39.975 47.638 45.577 361 HD3 ARG 50 HD1 ARG 50 39.834 49.370 45.224 362 HE ARG 50 HE ARG 50 37.299 48.353 44.741 363 HH11 ARG 50 1HH1 ARG 50 39.404 48.683 47.511 364 HH12 ARG 50 2HH1 ARG 50 38.119 48.975 48.626 365 HH21 ARG 50 1HH2 ARG 50 35.677 48.883 46.191 366 HH22 ARG 50 2HH2 ARG 50 36.047 49.081 47.873 367 H ALA 51 H ALA 51 38.396 48.022 39.865 368 HA ALA 51 HA ALA 51 35.539 47.979 40.506 369 HB1 ALA 51 HB1 ALA 51 35.418 49.570 38.603 370 HB2 ALA 51 HB2 ALA 51 36.660 50.054 39.777 371 HB3 ALA 51 HB3 ALA 51 37.132 49.294 38.237 372 H GLU 52 H GLU 52 37.406 47.175 37.550 373 HA GLU 52 HA GLU 52 35.483 45.538 36.247 374 HB2 GLU 52 HB2 GLU 52 37.407 44.748 34.973 375 HB3 GLU 52 HB1 GLU 52 37.438 46.506 35.186 376 HG2 GLU 52 HG2 GLU 52 38.938 46.034 37.259 377 HG3 GLU 52 HG1 GLU 52 39.108 44.418 36.596 378 H CYS 53 H CYS 53 38.089 44.643 38.570 379 HA CYS 53 HA CYS 53 37.732 41.932 38.693 380 HB2 CYS 53 HB2 CYS 53 39.312 43.572 39.896 381 HB3 CYS 53 HB1 CYS 53 38.071 43.677 41.152 382 H ARG 54 H ARG 54 35.810 44.304 40.606 383 HA ARG 54 HA ARG 54 33.975 42.285 41.703 384 HB2 ARG 54 HB2 ARG 54 33.864 45.332 41.488 385 HB3 ARG 54 HB1 ARG 54 32.536 44.369 42.151 386 HG2 ARG 54 HG2 ARG 54 33.976 43.467 43.902 387 HG3 ARG 54 HG1 ARG 54 35.382 44.359 43.259 388 HD2 ARG 54 HD2 ARG 54 34.215 46.488 43.698 389 HD3 ARG 54 HD1 ARG 54 32.786 45.594 44.259 390 HE ARG 54 HE ARG 54 35.167 44.845 45.724 391 HH11 ARG 54 1HH1 ARG 54 32.551 47.156 45.661 392 HH12 ARG 54 2HH1 ARG 54 32.641 47.480 47.365 393 HH21 ARG 54 1HH2 ARG 54 35.246 45.296 47.925 394 HH22 ARG 54 2HH2 ARG 54 34.142 46.431 48.614 395 H HIS 55 H HIS 55 33.951 44.270 38.751 396 HA HIS 55 HA HIS 55 31.215 43.541 38.090 397 HB2 HIS 55 HB2 HIS 55 32.614 45.569 37.286 398 HB3 HIS 55 HB1 HIS 55 33.384 44.446 36.165 399 HD1 HIS 55 HD1 HIS 55 30.247 46.454 36.611 400 HD2 HIS 55 HD2 HIS 55 31.731 43.275 34.267 401 HE1 HIS 55 HE1 HIS 55 28.652 46.238 34.584 402 HE2 HIS 55 HE2 HIS 55 29.606 44.291 33.146 403 H THR 56 H THR 56 34.340 42.037 37.415 404 HA THR 56 HA THR 56 33.313 40.074 35.557 405 HB THR 56 HB THR 56 35.908 40.216 37.150 406 HG1 THR 56 HG1 THR 56 36.645 41.182 35.312 407 HG21 THR 56 1HG2 THR 56 36.778 38.613 35.482 408 HG22 THR 56 2HG2 THR 56 35.437 37.897 36.346 409 HG23 THR 56 3HG2 THR 56 35.188 38.528 34.696 410 H CYS 57 H CYS 57 34.274 39.870 39.041 411 HA CYS 57 HA CYS 57 33.256 37.121 39.139 412 HB2 CYS 57 HB2 CYS 57 35.102 38.735 40.627 413 HB3 CYS 57 HB1 CYS 57 33.853 38.185 41.734 414 H VAL 58 H VAL 58 31.893 40.263 39.838 415 HA VAL 58 HA VAL 58 29.481 39.008 41.020 416 HB VAL 58 HB VAL 58 30.503 41.627 42.142 417 HG11 VAL 58 1HG1 VAL 58 29.075 40.966 44.021 418 HG12 VAL 58 2HG1 VAL 58 28.140 40.905 42.517 419 HG13 VAL 58 3HG1 VAL 58 28.743 39.396 43.253 420 HG21 VAL 58 1HG2 VAL 58 31.369 40.402 44.086 421 HG22 VAL 58 2HG2 VAL 58 31.241 38.884 43.174 422 HG23 VAL 58 3HG2 VAL 58 32.344 40.165 42.621 423 H ALA 59 H ALA 59 29.038 39.249 38.644 424 HA ALA 59 HA ALA 59 28.495 41.919 37.652 425 HB1 ALA 59 HB1 ALA 59 27.526 40.724 35.732 426 HB2 ALA 59 HB2 ALA 59 29.125 40.076 36.163 427 HB3 ALA 59 HB3 ALA 59 27.645 39.190 36.619 428 H SER 60 H SER 60 26.733 43.148 38.071 429 HA SER 60 HA SER 60 24.072 41.877 38.299 430 HB2 SER 60 HB2 SER 60 23.554 43.146 40.370 431 HB3 SER 60 HB1 SER 60 24.789 41.888 40.590 432 HG SER 60 HG SER 60 25.646 43.605 41.578 433 H ARG 61 H ARG 61 23.161 42.829 36.592 434 HA ARG 61 HA ARG 61 23.018 45.812 36.507 435 HB2 ARG 61 HB2 ARG 61 23.505 45.864 34.126 436 HB3 ARG 61 HB1 ARG 61 24.859 45.268 35.066 437 HG2 ARG 61 HG2 ARG 61 24.395 42.954 34.413 438 HG3 ARG 61 HG1 ARG 61 22.943 43.444 33.539 439 HD2 ARG 61 HD2 ARG 61 25.775 44.348 32.887 440 HD3 ARG 61 HD1 ARG 61 24.890 43.047 32.062 441 HE ARG 61 HE ARG 61 23.263 45.357 31.944 442 HH11 ARG 61 1HH1 ARG 61 26.190 44.120 30.470 443 HH12 ARG 61 2HH1 ARG 61 26.074 45.198 29.107 444 HH21 ARG 61 1HH2 ARG 61 23.140 46.660 30.121 445 HH22 ARG 61 2HH2 ARG 61 24.377 46.576 28.914 446 H LYS 62 H LYS 62 21.059 44.312 37.516 447 HA LYS 62 HA LYS 62 18.959 43.652 35.662 448 HB2 LYS 62 HB2 LYS 62 17.542 43.514 37.634 449 HB3 LYS 62 HB1 LYS 62 19.099 42.733 37.935 450 HG2 LYS 62 HG2 LYS 62 19.862 44.800 39.154 451 HG3 LYS 62 HG1 LYS 62 18.260 45.513 38.892 452 HD2 LYS 62 HD2 LYS 62 17.233 43.665 40.203 453 HD3 LYS 62 HD1 LYS 62 18.818 42.930 40.415 454 HE2 LYS 62 HE2 LYS 62 18.273 44.128 42.435 455 HE3 LYS 62 HE1 LYS 62 19.611 44.946 41.628 456 HZ1 LYS 62 HZ1 LYS 62 17.934 46.525 42.404 457 HZ2 LYS 62 HZ2 LYS 62 18.006 46.580 40.771 458 HZ3 LYS 62 HZ3 LYS 62 16.765 45.798 41.506 459 H GLY 63 H GLY 63 19.976 46.772 36.816 460 HA2 GLY 63 HA2 GLY 63 18.561 48.460 35.271 461 HA3 GLY 63 HA1 GLY 63 17.345 48.034 36.487 462 H GLY 64 H GLY 64 17.241 50.021 37.504 463 HA2 GLY 64 HA2 GLY 64 19.531 50.744 39.262 464 HA3 GLY 64 HA1 GLY 64 18.882 51.982 38.180 465 HA PRO 65 HA PRO 65 15.757 52.883 41.185 466 HB2 PRO 65 HB1 PRO 65 13.477 53.442 39.796 467 HB3 PRO 65 HB2 PRO 65 14.952 54.429 39.647 468 HG2 PRO 65 HG1 PRO 65 14.055 52.156 37.841 469 HG3 PRO 65 HG2 PRO 65 14.526 53.822 37.362 470 HD2 PRO 65 HD1 PRO 65 16.296 51.783 37.282 471 HD3 PRO 65 HD2 PRO 65 16.809 53.412 37.812 472 H ARG 66 H ARG 66 13.326 52.370 41.808 473 HA ARG 66 HA ARG 66 12.623 49.527 41.364 474 HB2 ARG 66 HB2 ARG 66 13.995 49.598 43.407 475 HB3 ARG 66 HB1 ARG 66 12.976 50.890 44.069 476 HG2 ARG 66 HG2 ARG 66 11.049 49.379 44.117 477 HG3 ARG 66 HG1 ARG 66 12.021 48.065 43.412 478 HD2 ARG 66 HD2 ARG 66 13.444 48.073 45.421 479 HD3 ARG 66 HD1 ARG 66 12.561 49.492 46.050 480 HE ARG 66 HE ARG 66 10.623 47.513 45.551 481 HH11 ARG 66 1HH1 ARG 66 13.125 48.240 47.879 482 HH12 ARG 66 2HH1 ARG 66 12.380 47.275 49.114 483 HH21 ARG 66 1HH2 ARG 66 9.711 46.333 47.170 484 HH22 ARG 66 2HH2 ARG 66 10.489 46.188 48.708 485 H ARG 67 H ARG 67 10.442 49.133 41.442 486 HA ARG 67 HA ARG 67 8.628 51.468 41.397 487 HB2 ARG 67 HB2 ARG 67 8.176 48.569 40.595 488 HB3 ARG 67 HB1 ARG 67 6.973 49.860 40.488 489 HG2 ARG 67 HG2 ARG 67 8.348 51.080 38.856 490 HG3 ARG 67 HG1 ARG 67 9.641 49.879 38.998 491 HD2 ARG 67 HD2 ARG 67 8.072 48.113 38.222 492 HD3 ARG 67 HD1 ARG 67 6.819 49.350 37.981 493 HE ARG 67 HE ARG 67 8.860 50.372 36.504 494 HH11 ARG 67 1HH1 ARG 67 7.325 47.229 36.461 495 HH12 ARG 67 2HH1 ARG 67 7.696 46.946 34.785 496 HH21 ARG 67 1HH2 ARG 67 9.271 49.973 34.334 497 HH22 ARG 67 2HH2 ARG 67 8.766 48.478 33.619 498 HA PRO 68 HA PRO 68 7.125 50.541 45.488 499 HB2 PRO 68 HB1 PRO 68 4.367 51.141 44.418 500 HB3 PRO 68 HB2 PRO 68 5.198 51.812 45.852 501 HG2 PRO 68 HG1 PRO 68 4.977 53.273 43.573 502 HG3 PRO 68 HG2 PRO 68 6.514 53.273 44.498 503 HD2 PRO 68 HD1 PRO 68 5.794 51.635 42.043 504 HD3 PRO 68 HD2 PRO 68 7.268 52.608 42.376 Start of MODEL 16 1 H PCA 1 H PGA 1 27.639 27.190 39.424 2 HA PCA 1 HA PGA 1 27.348 29.467 40.473 3 HB2 PCA 1 HB1 PGA 1 29.836 30.671 40.314 4 HB3 PCA 1 HB2 PGA 1 29.356 29.611 41.662 5 HG2 PCA 1 HG1 PGA 1 31.068 28.939 39.263 6 HG3 PCA 1 HG2 PGA 1 31.206 28.342 40.966 7 H ASP 2 H ASP 2 26.468 31.061 39.149 8 HA ASP 2 HA ASP 2 26.866 31.288 36.401 9 HB2 ASP 2 HB2 ASP 2 26.038 33.509 38.331 10 HB3 ASP 2 HB1 ASP 2 25.621 33.389 36.613 11 H ARG 3 H ARG 3 29.244 31.993 38.523 12 HA ARG 3 HA ARG 3 30.246 34.510 37.282 13 HB2 ARG 3 HB2 ARG 3 30.949 33.058 39.871 14 HB3 ARG 3 HB1 ARG 3 31.946 34.337 39.211 15 HG2 ARG 3 HG2 ARG 3 30.558 35.246 40.904 16 HG3 ARG 3 HG1 ARG 3 30.068 35.935 39.348 17 HD2 ARG 3 HD2 ARG 3 28.084 34.495 39.318 18 HD3 ARG 3 HD1 ARG 3 28.673 33.630 40.759 19 HE ARG 3 HE ARG 3 28.364 36.484 41.170 20 HH11 ARG 3 1HH1 ARG 3 26.595 33.451 41.203 21 HH12 ARG 3 2HH1 ARG 3 25.385 34.024 42.292 22 HH21 ARG 3 1HH2 ARG 3 26.693 37.214 42.516 23 HH22 ARG 3 2HH2 ARG 3 25.452 36.103 43.008 24 HA PRO 4 HA PRO 4 33.198 32.288 34.930 25 HB2 PRO 4 HB1 PRO 4 35.515 33.781 35.177 26 HB3 PRO 4 HB2 PRO 4 34.135 34.224 34.128 27 HG2 PRO 4 HG1 PRO 4 34.762 35.213 36.923 28 HG3 PRO 4 HG2 PRO 4 34.265 36.166 35.487 29 HD2 PRO 4 HD1 PRO 4 32.478 35.458 37.383 30 HD3 PRO 4 HD2 PRO 4 32.022 35.419 35.658 31 H LYS 5 H LYS 5 34.410 30.541 35.284 32 HA LYS 5 HA LYS 5 35.189 29.699 37.895 33 HB2 LYS 5 HB2 LYS 5 36.389 28.472 35.414 34 HB3 LYS 5 HB1 LYS 5 35.889 27.698 36.920 35 HG2 LYS 5 HG2 LYS 5 33.498 28.063 36.291 36 HG3 LYS 5 HG1 LYS 5 34.029 28.826 34.778 37 HD2 LYS 5 HD2 LYS 5 35.265 26.712 34.205 38 HD3 LYS 5 HD1 LYS 5 34.492 25.948 35.616 39 HE2 LYS 5 HE2 LYS 5 32.259 26.479 34.692 40 HE3 LYS 5 HE1 LYS 5 33.000 27.305 33.316 41 HZ1 LYS 5 HZ1 LYS 5 32.356 25.041 32.750 42 HZ2 LYS 5 HZ2 LYS 5 33.991 25.171 32.662 43 HZ3 LYS 5 HZ3 LYS 5 33.290 24.421 33.939 44 H PHE 6 H PHE 6 37.036 31.270 35.317 45 HA PHE 6 HA PHE 6 39.632 30.842 36.468 46 HB2 PHE 6 HB2 PHE 6 40.360 32.636 35.031 47 HB3 PHE 6 HB1 PHE 6 39.396 31.466 34.153 48 HD1 PHE 6 HD1 PHE 6 39.230 34.846 35.801 49 HD2 PHE 6 HD2 PHE 6 37.607 32.233 32.775 50 HE1 PHE 6 HE1 PHE 6 37.831 36.697 34.944 51 HE2 PHE 6 HE2 PHE 6 36.230 34.103 31.910 52 HZ PHE 6 HZ PHE 6 36.326 36.336 33.003 53 H CYS 7 H CYS 7 37.040 32.801 37.626 54 HA CYS 7 HA CYS 7 38.610 34.772 39.045 55 HB2 CYS 7 HB2 CYS 7 36.237 35.062 38.551 56 HB3 CYS 7 HB1 CYS 7 35.846 33.614 39.500 57 H TYR 8 H TYR 8 37.959 31.340 39.570 58 HA TYR 8 HA TYR 8 38.588 31.431 42.442 59 HB2 TYR 8 HB2 TYR 8 37.966 29.136 40.554 60 HB3 TYR 8 HB1 TYR 8 38.260 28.968 42.263 61 HD1 TYR 8 HD1 TYR 8 35.950 30.693 39.838 62 HD2 TYR 8 HD2 TYR 8 36.523 29.157 43.825 63 HE1 TYR 8 HE1 TYR 8 33.554 31.091 40.332 64 HE2 TYR 8 HE2 TYR 8 34.127 29.546 44.319 65 HH TYR 8 HH TYR 8 32.129 30.257 43.498 66 H LEU 9 H LEU 9 40.538 31.790 39.872 67 HA LEU 9 HA LEU 9 42.715 29.974 40.672 68 HB2 LEU 9 HB2 LEU 9 42.563 32.281 38.688 69 HB3 LEU 9 HB1 LEU 9 43.955 31.216 38.909 70 HG LEU 9 HG LEU 9 41.194 30.208 38.062 71 HD11 LEU 9 1HD1 LEU 9 42.039 30.146 35.796 72 HD12 LEU 9 2HD1 LEU 9 42.170 31.809 36.403 73 HD13 LEU 9 3HD1 LEU 9 43.609 30.771 36.316 74 HD21 LEU 9 1HD2 LEU 9 42.498 28.235 37.298 75 HD22 LEU 9 2HD2 LEU 9 43.976 28.947 37.968 76 HD23 LEU 9 3HD2 LEU 9 42.644 28.470 39.039 77 HA PRO 10 HA PRO 10 43.907 32.935 43.968 78 HB2 PRO 10 HB1 PRO 10 46.376 31.213 43.705 79 HB3 PRO 10 HB2 PRO 10 45.585 31.834 45.189 80 HG2 PRO 10 HG1 PRO 10 45.164 29.280 44.443 81 HG3 PRO 10 HG2 PRO 10 43.759 30.283 44.946 82 HD2 PRO 10 HD1 PRO 10 44.703 29.668 42.138 83 HD3 PRO 10 HD2 PRO 10 43.058 29.571 42.816 84 H ASP 11 H ASP 11 45.803 34.515 44.226 85 HA ASP 11 HA ASP 11 46.253 35.863 41.749 86 HB2 ASP 11 HB2 ASP 11 47.818 37.248 43.021 87 HB3 ASP 11 HB1 ASP 11 46.255 37.114 43.798 88 H ASP 12 H ASP 12 47.545 35.330 40.173 89 HA ASP 12 HA ASP 12 49.946 33.640 40.706 90 HB2 ASP 12 HB2 ASP 12 48.049 32.467 39.588 91 HB3 ASP 12 HB1 ASP 12 48.179 33.613 38.247 92 HA PRO 13 HA PRO 13 51.381 37.689 38.867 93 HB2 PRO 13 HB1 PRO 13 53.531 37.943 40.646 94 HB3 PRO 13 HB2 PRO 13 51.916 38.658 40.862 95 HG2 PRO 13 HG1 PRO 13 52.965 36.115 42.057 96 HG3 PRO 13 HG2 PRO 13 52.040 37.433 42.860 97 HD2 PRO 13 HD1 PRO 13 50.838 35.178 42.015 98 HD3 PRO 13 HD2 PRO 13 50.020 36.756 41.852 99 H GLY 14 H GLY 14 52.462 34.517 39.357 100 HA2 GLY 14 HA2 GLY 14 53.865 33.251 38.011 101 HA3 GLY 14 HA1 GLY 14 54.518 34.734 37.293 102 H VAL 15 H VAL 15 56.523 33.471 37.594 103 HA VAL 15 HA VAL 15 57.580 33.221 40.346 104 HB VAL 15 HB VAL 15 59.585 32.276 39.289 105 HG11 VAL 15 1HG1 VAL 15 58.558 30.238 38.430 106 HG12 VAL 15 2HG1 VAL 15 57.643 30.837 39.825 107 HG13 VAL 15 3HG1 VAL 15 57.004 31.064 38.184 108 HG21 VAL 15 1HG2 VAL 15 59.654 31.801 36.883 109 HG22 VAL 15 2HG2 VAL 15 58.152 32.696 36.619 110 HG23 VAL 15 3HG2 VAL 15 59.632 33.544 37.162 111 H CYS 16 H CYS 16 57.755 35.552 37.826 112 HA CYS 16 HA CYS 16 60.173 36.848 38.973 113 HB2 CYS 16 HB2 CYS 16 58.600 37.366 36.439 114 HB3 CYS 16 HB1 CYS 16 59.943 38.375 36.964 115 H LYS 17 H LYS 17 59.947 39.329 38.834 116 HA LYS 17 HA LYS 17 57.384 40.381 39.860 117 HB2 LYS 17 HB2 LYS 17 58.640 41.244 41.971 118 HB3 LYS 17 HB1 LYS 17 57.992 39.620 41.901 119 HG2 LYS 17 HG2 LYS 17 60.180 39.676 42.968 120 HG3 LYS 17 HG1 LYS 17 60.156 38.621 41.562 121 HD2 LYS 17 HD2 LYS 17 61.288 40.452 40.219 122 HD3 LYS 17 HD1 LYS 17 61.376 41.428 41.693 123 HE2 LYS 17 HE2 LYS 17 62.614 38.668 41.237 124 HE3 LYS 17 HE1 LYS 17 63.482 40.203 41.178 125 HZ1 LYS 17 HZ1 LYS 17 63.746 39.131 43.323 126 HZ2 LYS 17 HZ2 LYS 17 62.924 40.533 43.528 127 HZ3 LYS 17 HZ3 LYS 17 62.129 39.097 43.569 128 H ALA 18 H ALA 18 58.161 41.141 37.575 129 HA ALA 18 HA ALA 18 59.976 43.334 37.340 130 HB1 ALA 18 HB1 ALA 18 58.765 43.793 35.250 131 HB2 ALA 18 HB2 ALA 18 59.070 42.063 35.416 132 HB3 ALA 18 HB3 ALA 18 57.444 42.723 35.743 133 H HIS 19 H HIS 19 57.011 43.177 39.013 134 HA HIS 19 HA HIS 19 56.135 44.648 40.446 135 HB2 HIS 19 HB2 HIS 19 58.641 45.546 40.381 136 HB3 HIS 19 HB1 HIS 19 57.849 46.976 39.764 137 HD1 HIS 19 HD1 HIS 19 55.818 47.937 41.482 138 HD2 HIS 19 HD2 HIS 19 58.539 45.055 42.914 139 HE1 HIS 19 HE1 HIS 19 55.577 47.931 44.073 140 HE2 HIS 19 HE2 HIS 19 57.277 46.185 44.930 141 H ILE 20 H ILE 20 54.548 44.133 38.615 142 HA ILE 20 HA ILE 20 53.598 46.695 37.436 143 HB ILE 20 HB ILE 20 52.811 43.922 36.587 144 HG12 ILE 20 2HG1 ILE 20 55.137 45.631 35.701 145 HG13 ILE 20 1HG1 ILE 20 55.159 43.961 36.253 146 HG21 ILE 20 1HG2 ILE 20 52.067 45.127 34.557 147 HG22 ILE 20 2HG2 ILE 20 51.240 45.736 35.989 148 HG23 ILE 20 3HG2 ILE 20 52.588 46.657 35.273 149 HD11 ILE 20 HD1 ILE 20 55.547 43.914 33.927 150 HD12 ILE 20 HD2 ILE 20 53.878 43.358 34.119 151 HD13 ILE 20 HD3 ILE 20 54.206 45.014 33.578 152 HA PRO 21 HA PRO 21 50.343 46.421 40.596 153 HB2 PRO 21 HB1 PRO 21 48.677 48.401 39.612 154 HB3 PRO 21 HB2 PRO 21 50.130 48.697 40.617 155 HG2 PRO 21 HG1 PRO 21 49.888 48.814 37.599 156 HG3 PRO 21 HG2 PRO 21 50.683 49.984 38.694 157 HD2 PRO 21 HD1 PRO 21 52.108 48.147 37.352 158 HD3 PRO 21 HD2 PRO 21 52.531 48.547 39.049 159 H ARG 22 H ARG 22 49.043 44.718 40.524 160 HA ARG 22 HA ARG 22 47.120 44.453 38.313 161 HB2 ARG 22 HB2 ARG 22 49.314 43.055 38.033 162 HB3 ARG 22 HB1 ARG 22 48.706 42.085 39.356 163 HG2 ARG 22 HG2 ARG 22 48.179 41.011 37.256 164 HG3 ARG 22 HG1 ARG 22 46.661 41.564 37.958 165 HD2 ARG 22 HD2 ARG 22 46.567 42.115 35.618 166 HD3 ARG 22 HD1 ARG 22 46.846 43.624 36.455 167 HE ARG 22 HE ARG 22 49.160 42.132 35.345 168 HH11 ARG 22 1HH1 ARG 22 47.084 44.972 35.165 169 HH12 ARG 22 2HH1 ARG 22 48.050 45.750 33.970 170 HH21 ARG 22 1HH2 ARG 22 50.360 43.173 33.798 171 HH22 ARG 22 2HH2 ARG 22 49.876 44.751 33.232 172 H PHE 23 H PHE 23 45.381 42.980 38.827 173 HA PHE 23 HA PHE 23 44.788 42.733 41.740 174 HB2 PHE 23 HB2 PHE 23 43.158 43.954 39.503 175 HB3 PHE 23 HB1 PHE 23 42.403 43.342 40.961 176 HD1 PHE 23 HD1 PHE 23 42.182 44.739 42.824 177 HD2 PHE 23 HD2 PHE 23 45.074 45.725 39.785 178 HE1 PHE 23 HE1 PHE 23 42.704 46.897 43.977 179 HE2 PHE 23 HE2 PHE 23 45.595 47.833 40.940 180 HZ PHE 23 HZ PHE 23 44.391 48.444 43.023 181 H TYR 24 H TYR 24 43.488 41.087 42.369 182 HA TYR 24 HA TYR 24 42.415 39.253 40.313 183 HB2 TYR 24 HB2 TYR 24 43.941 37.690 40.656 184 HB3 TYR 24 HB1 TYR 24 44.777 38.663 41.833 185 HD1 TYR 24 HD1 TYR 24 43.978 38.640 44.247 186 HD2 TYR 24 HD2 TYR 24 42.963 35.671 41.337 187 HE1 TYR 24 HE1 TYR 24 43.349 37.050 46.085 188 HE2 TYR 24 HE2 TYR 24 42.157 34.173 43.147 189 HH TYR 24 HH TYR 24 42.250 33.754 45.281 190 H TYR 25 H TYR 25 40.595 38.108 40.998 191 HA TYR 25 HA TYR 25 39.288 39.225 43.423 192 HB2 TYR 25 HB2 TYR 25 38.155 39.257 41.186 193 HB3 TYR 25 HB1 TYR 25 38.021 37.512 41.316 194 HD1 TYR 25 HD1 TYR 25 36.648 40.694 42.246 195 HD2 TYR 25 HD2 TYR 25 36.738 36.563 43.384 196 HE1 TYR 25 HE1 TYR 25 34.633 41.043 43.678 197 HE2 TYR 25 HE2 TYR 25 34.670 36.879 44.723 198 HH TYR 25 HH TYR 25 33.020 38.352 45.347 199 H ASN 26 H ASN 26 39.054 38.121 45.296 200 HA ASN 26 HA ASN 26 39.744 35.239 45.350 201 HB2 ASN 26 HB2 ASN 26 41.044 36.716 46.817 202 HB3 ASN 26 HB1 ASN 26 39.569 37.281 47.593 203 HD21 ASN 26 1HD2 ASN 26 41.890 34.688 47.523 204 HD22 ASN 26 2HD2 ASN 26 41.122 33.832 48.868 205 HA PRO 27 HA PRO 27 35.142 35.085 45.629 206 HB2 PRO 27 HB1 PRO 27 34.797 32.542 44.687 207 HB3 PRO 27 HB2 PRO 27 35.007 33.968 43.623 208 HG2 PRO 27 HG1 PRO 27 37.105 31.956 44.495 209 HG3 PRO 27 HG2 PRO 27 36.782 32.618 42.854 210 HD2 PRO 27 HD1 PRO 27 38.767 33.598 44.439 211 HD3 PRO 27 HD2 PRO 27 37.798 34.653 43.370 212 H ALA 28 H ALA 28 37.662 33.159 47.085 213 HA ALA 28 HA ALA 28 35.998 31.737 48.960 214 HB1 ALA 28 HB1 ALA 28 38.137 31.254 50.045 215 HB2 ALA 28 HB2 ALA 28 38.263 31.014 48.297 216 HB3 ALA 28 HB3 ALA 28 38.951 32.473 49.050 217 H SER 29 H SER 29 36.818 35.050 48.796 218 HA SER 29 HA SER 29 35.784 35.506 51.572 219 HB2 SER 29 HB2 SER 29 38.264 35.717 51.352 220 HB3 SER 29 HB1 SER 29 38.032 36.995 50.156 221 HG SER 29 HG SER 29 37.121 37.044 52.839 222 H ASN 30 H ASN 30 34.833 35.763 48.528 223 HA ASN 30 HA ASN 30 33.627 37.164 47.224 224 HB2 ASN 30 HB2 ASN 30 32.215 36.649 49.345 225 HB3 ASN 30 HB1 ASN 30 32.453 38.342 49.749 226 HD21 ASN 30 1HD2 ASN 30 32.118 39.623 47.289 227 HD22 ASN 30 2HD2 ASN 30 30.496 39.216 46.705 228 H LYS 31 H LYS 31 36.256 38.217 47.636 229 HA LYS 31 HA LYS 31 35.771 41.020 46.920 230 HB2 LYS 31 HB2 LYS 31 37.095 42.010 48.730 231 HB3 LYS 31 HB1 LYS 31 35.696 41.176 49.358 232 HG2 LYS 31 HG2 LYS 31 37.133 40.310 50.850 233 HG3 LYS 31 HG1 LYS 31 37.424 39.126 49.607 234 HD2 LYS 31 HD2 LYS 31 39.549 39.804 50.453 235 HD3 LYS 31 HD1 LYS 31 39.425 40.444 48.830 236 HE2 LYS 31 HE2 LYS 31 40.378 42.136 50.269 237 HE3 LYS 31 HE1 LYS 31 38.783 42.672 49.750 238 HZ1 LYS 31 HZ1 LYS 31 39.075 43.011 52.142 239 HZ2 LYS 31 HZ2 LYS 31 37.908 41.869 51.888 240 HZ3 LYS 31 HZ3 LYS 31 39.396 41.413 52.374 241 H CYS 32 H CYS 32 37.574 42.064 45.956 242 HA CYS 32 HA CYS 32 39.774 40.216 45.172 243 HB2 CYS 32 HB2 CYS 32 40.235 41.892 43.436 244 HB3 CYS 32 HB1 CYS 32 38.607 41.266 43.364 245 H LYS 33 H LYS 33 41.913 41.229 44.851 246 HA LYS 33 HA LYS 33 42.621 43.364 46.753 247 HB2 LYS 33 HB2 LYS 33 44.305 42.169 47.889 248 HB3 LYS 33 HB1 LYS 33 42.893 41.103 47.922 249 HG2 LYS 33 HG2 LYS 33 43.915 40.042 45.792 250 HG3 LYS 33 HG1 LYS 33 45.406 40.884 46.206 251 HD2 LYS 33 HD2 LYS 33 43.980 38.761 47.888 252 HD3 LYS 33 HD1 LYS 33 45.416 38.549 46.903 253 HE2 LYS 33 HE2 LYS 33 46.292 38.717 49.020 254 HE3 LYS 33 HE1 LYS 33 46.582 40.307 48.328 255 HZ1 LYS 33 HZ1 LYS 33 45.728 40.419 50.591 256 HZ2 LYS 33 HZ2 LYS 33 44.651 41.107 49.558 257 HZ3 LYS 33 HZ3 LYS 33 44.368 39.595 50.177 258 H GLU 34 H GLU 34 44.763 44.214 46.369 259 HA GLU 34 HA GLU 34 45.606 44.100 43.532 260 HB2 GLU 34 HB2 GLU 34 46.912 46.051 44.046 261 HB3 GLU 34 HB1 GLU 34 45.236 46.268 44.548 262 HG2 GLU 34 HG2 GLU 34 45.949 45.658 46.923 263 HG3 GLU 34 HG1 GLU 34 47.615 45.809 46.356 264 H PHE 35 H PHE 35 47.516 43.264 42.904 265 HA PHE 35 HA PHE 35 49.452 42.278 44.876 266 HB2 PHE 35 HB2 PHE 35 49.573 40.103 44.070 267 HB3 PHE 35 HB1 PHE 35 47.864 40.378 44.255 268 HD1 PHE 35 HD1 PHE 35 46.381 40.197 42.319 269 HD2 PHE 35 HD2 PHE 35 50.636 40.099 41.840 270 HE1 PHE 35 HE1 PHE 35 46.108 39.330 39.980 271 HE2 PHE 35 HE2 PHE 35 50.356 39.371 39.485 272 HZ PHE 35 HZ PHE 35 48.098 38.893 38.590 273 H ILE 36 H ILE 36 51.554 41.792 43.808 274 HA ILE 36 HA ILE 36 52.006 43.647 41.512 275 HB ILE 36 HB ILE 36 53.704 42.737 43.812 276 HG12 ILE 36 2HG1 ILE 36 52.612 44.920 43.893 277 HG13 ILE 36 1HG1 ILE 36 54.363 45.071 43.864 278 HG21 ILE 36 1HG2 ILE 36 55.743 43.635 42.533 279 HG22 ILE 36 2HG2 ILE 36 55.198 41.989 42.191 280 HG23 ILE 36 3HG2 ILE 36 54.780 43.273 41.059 281 HD11 ILE 36 HD1 ILE 36 53.450 46.803 42.482 282 HD12 ILE 36 HD2 ILE 36 54.191 45.627 41.377 283 HD13 ILE 36 HD3 ILE 36 52.427 45.684 41.586 284 H TYR 37 H TYR 37 52.057 42.862 39.619 285 HA TYR 37 HA TYR 37 52.584 40.021 39.116 286 HB2 TYR 37 HB2 TYR 37 50.699 41.093 38.089 287 HB3 TYR 37 HB1 TYR 37 51.687 42.341 37.399 288 HD1 TYR 37 HD1 TYR 37 50.649 38.805 37.142 289 HD2 TYR 37 HD2 TYR 37 53.122 41.902 35.460 290 HE1 TYR 37 HE1 TYR 37 51.014 37.419 35.130 291 HE2 TYR 37 HE2 TYR 37 53.422 40.535 33.381 292 HH TYR 37 HH TYR 37 52.970 38.531 32.369 293 H GLY 38 H GLY 38 54.144 39.152 37.766 294 HA2 GLY 38 HA2 GLY 38 56.431 40.916 36.995 295 HA3 GLY 38 HA1 GLY 38 56.660 39.299 37.703 296 H GLY 39 H GLY 39 57.455 40.382 35.025 297 HA2 GLY 39 HA2 GLY 39 55.723 39.252 33.035 298 HA3 GLY 39 HA1 GLY 39 57.358 39.847 32.788 299 H CYS 40 H CYS 40 56.026 37.039 34.677 300 HA CYS 40 HA CYS 40 57.377 35.136 32.899 301 HB2 CYS 40 HB2 CYS 40 58.164 35.267 35.813 302 HB3 CYS 40 HB1 CYS 40 58.678 34.053 34.660 303 H GLY 41 H GLY 41 55.064 34.704 32.650 304 HA2 GLY 41 HA2 GLY 41 53.521 32.909 32.933 305 HA3 GLY 41 HA1 GLY 41 54.079 32.674 34.597 306 H GLY 42 H GLY 42 51.431 32.703 34.220 307 HA2 GLY 42 HA2 GLY 42 50.308 34.478 35.892 308 HA3 GLY 42 HA1 GLY 42 50.210 35.330 34.352 309 H ASN 43 H ASN 43 47.895 34.945 35.306 310 HA ASN 43 HA ASN 43 46.685 32.646 33.850 311 HB2 ASN 43 HB2 ASN 43 45.270 32.244 35.775 312 HB3 ASN 43 HB1 ASN 43 46.941 32.247 36.308 313 HD21 ASN 43 1HD2 ASN 43 45.268 32.573 38.323 314 HD22 ASN 43 2HD2 ASN 43 45.178 34.235 38.801 315 H ALA 44 H ALA 44 44.069 33.099 34.102 316 HA ALA 44 HA ALA 44 43.590 35.530 32.567 317 HB1 ALA 44 HB1 ALA 44 41.215 34.690 32.621 318 HB2 ALA 44 HB2 ALA 44 42.408 33.515 31.996 319 HB3 ALA 44 HB3 ALA 44 41.783 33.349 33.647 320 H ASN 45 H ASN 45 43.590 34.922 35.997 321 HA ASN 45 HA ASN 45 41.633 37.078 36.557 322 HB2 ASN 45 HB2 ASN 45 41.721 34.822 37.771 323 HB3 ASN 45 HB1 ASN 45 43.144 35.411 38.591 324 HD21 ASN 45 1HD2 ASN 45 41.157 34.682 40.119 325 HD22 ASN 45 2HD2 ASN 45 40.301 35.995 40.827 326 H ASN 46 H ASN 46 43.003 38.624 35.446 327 HA ASN 46 HA ASN 46 44.896 39.877 37.324 328 HB2 ASN 46 HB2 ASN 46 46.688 39.956 35.745 329 HB3 ASN 46 HB1 ASN 46 46.148 38.297 35.827 330 HD21 ASN 46 1HD2 ASN 46 45.216 37.356 33.897 331 HD22 ASN 46 2HD2 ASN 46 45.123 38.301 32.425 332 H PHE 47 H PHE 47 43.999 41.766 37.664 333 HA PHE 47 HA PHE 47 42.849 43.368 35.393 334 HB2 PHE 47 HB2 PHE 47 41.888 42.783 38.207 335 HB3 PHE 47 HB1 PHE 47 41.327 44.180 37.350 336 HD1 PHE 47 HD1 PHE 47 40.858 43.240 34.586 337 HD2 PHE 47 HD2 PHE 47 40.261 41.152 38.316 338 HE1 PHE 47 HE1 PHE 47 39.297 41.710 33.471 339 HE2 PHE 47 HE2 PHE 47 38.691 39.603 37.190 340 HZ PHE 47 HZ PHE 47 38.263 39.854 34.723 341 H GLU 48 H GLU 48 42.592 45.746 35.938 342 HA GLU 48 HA GLU 48 45.173 46.691 37.123 343 HB2 GLU 48 HB2 GLU 48 43.153 48.117 35.378 344 HB3 GLU 48 HB1 GLU 48 44.721 48.743 35.918 345 HG2 GLU 48 HG2 GLU 48 45.833 46.770 34.816 346 HG3 GLU 48 HG1 GLU 48 44.269 46.299 34.130 347 H THR 49 H THR 49 41.766 46.792 37.784 348 HA THR 49 HA THR 49 42.354 48.095 40.383 349 HB THR 49 HB THR 49 40.504 49.618 40.175 350 HG1 THR 49 HG1 THR 49 40.159 48.502 37.589 351 HG21 THR 49 1HG2 THR 49 41.223 51.226 38.584 352 HG22 THR 49 2HG2 THR 49 42.643 50.472 39.358 353 HG23 THR 49 3HG2 THR 49 42.175 50.015 37.709 354 H ARG 50 H ARG 50 40.135 48.308 41.593 355 HA ARG 50 HA ARG 50 38.971 45.616 41.883 356 HB2 ARG 50 HB2 ARG 50 38.257 48.177 43.357 357 HB3 ARG 50 HB1 ARG 50 37.824 46.521 43.819 358 HG2 ARG 50 HG2 ARG 50 40.262 45.992 44.107 359 HG3 ARG 50 HG1 ARG 50 40.637 47.693 43.739 360 HD2 ARG 50 HD2 ARG 50 38.940 46.750 46.074 361 HD3 ARG 50 HD1 ARG 50 40.635 47.216 46.149 362 HE ARG 50 HE ARG 50 38.546 49.134 45.171 363 HH11 ARG 50 1HH1 ARG 50 41.287 48.602 47.313 364 HH12 ARG 50 2HH1 ARG 50 41.215 50.208 47.925 365 HH21 ARG 50 1HH2 ARG 50 38.597 51.225 45.945 366 HH22 ARG 50 2HH2 ARG 50 39.742 51.635 47.180 367 H ALA 51 H ALA 51 38.067 48.484 40.104 368 HA ALA 51 HA ALA 51 35.196 48.284 40.431 369 HB1 ALA 51 HB1 ALA 51 35.173 49.779 38.451 370 HB2 ALA 51 HB2 ALA 51 36.331 50.338 39.671 371 HB3 ALA 51 HB3 ALA 51 36.916 49.511 38.218 372 H GLU 52 H GLU 52 37.435 47.178 37.894 373 HA GLU 52 HA GLU 52 35.591 45.550 36.437 374 HB2 GLU 52 HB2 GLU 52 37.612 44.733 35.335 375 HB3 GLU 52 HB1 GLU 52 37.611 46.501 35.495 376 HG2 GLU 52 HG2 GLU 52 38.916 45.967 37.767 377 HG3 GLU 52 HG1 GLU 52 39.224 44.450 36.980 378 H CYS 53 H CYS 53 37.911 44.705 39.118 379 HA CYS 53 HA CYS 53 37.511 41.981 39.154 380 HB2 CYS 53 HB2 CYS 53 38.546 42.011 41.139 381 HB3 CYS 53 HB1 CYS 53 38.820 43.704 40.773 382 H ARG 54 H ARG 54 35.356 44.432 40.550 383 HA ARG 54 HA ARG 54 33.334 42.530 41.489 384 HB2 ARG 54 HB2 ARG 54 33.168 45.535 40.952 385 HB3 ARG 54 HB1 ARG 54 31.923 44.565 41.750 386 HG2 ARG 54 HG2 ARG 54 33.547 43.989 43.568 387 HG3 ARG 54 HG1 ARG 54 34.782 44.968 42.769 388 HD2 ARG 54 HD2 ARG 54 33.849 46.302 44.495 389 HD3 ARG 54 HD1 ARG 54 33.277 46.972 42.953 390 HE ARG 54 HE ARG 54 31.339 45.107 43.848 391 HH11 ARG 54 1HH1 ARG 54 32.560 48.192 44.952 392 HH12 ARG 54 2HH1 ARG 54 31.087 48.570 45.806 393 HH21 ARG 54 1HH2 ARG 54 29.476 45.661 44.953 394 HH22 ARG 54 2HH2 ARG 54 29.394 47.166 45.789 395 H HIS 55 H HIS 55 33.703 44.511 38.528 396 HA HIS 55 HA HIS 55 31.167 43.679 37.422 397 HB2 HIS 55 HB2 HIS 55 32.826 45.627 36.741 398 HB3 HIS 55 HB1 HIS 55 33.551 44.404 35.707 399 HD1 HIS 55 HD1 HIS 55 30.687 46.779 35.871 400 HD2 HIS 55 HD2 HIS 55 31.650 43.164 33.918 401 HE1 HIS 55 HE1 HIS 55 28.948 46.494 33.977 402 HE2 HIS 55 HE2 HIS 55 29.559 44.227 32.824 403 H THR 56 H THR 56 34.279 42.050 37.521 404 HA THR 56 HA THR 56 33.545 40.035 35.571 405 HB THR 56 HB THR 56 35.894 40.241 37.490 406 HG1 THR 56 HG1 THR 56 36.868 41.168 35.737 407 HG21 THR 56 1HG2 THR 56 36.984 38.623 35.990 408 HG22 THR 56 2HG2 THR 56 35.543 37.902 36.650 409 HG23 THR 56 3HG2 THR 56 35.523 38.528 34.986 410 H CYS 57 H CYS 57 34.101 39.894 39.150 411 HA CYS 57 HA CYS 57 32.857 37.190 39.083 412 HB2 CYS 57 HB2 CYS 57 35.227 37.867 40.000 413 HB3 CYS 57 HB1 CYS 57 34.315 38.259 41.453 414 H VAL 58 H VAL 58 31.799 40.305 39.731 415 HA VAL 58 HA VAL 58 29.582 39.277 41.433 416 HB VAL 58 HB VAL 58 30.679 42.077 41.835 417 HG11 VAL 58 1HG1 VAL 58 29.461 41.869 43.959 418 HG12 VAL 58 2HG1 VAL 58 28.358 41.604 42.611 419 HG13 VAL 58 3HG1 VAL 58 28.972 40.220 43.552 420 HG21 VAL 58 1HG2 VAL 58 31.756 41.239 43.898 421 HG22 VAL 58 2HG2 VAL 58 31.397 39.573 43.383 422 HG23 VAL 58 3HG2 VAL 58 32.514 40.579 42.442 423 H ALA 59 H ALA 59 29.230 39.111 38.838 424 HA ALA 59 HA ALA 59 26.996 40.955 38.474 425 HB1 ALA 59 HB1 ALA 59 27.710 41.697 36.224 426 HB2 ALA 59 HB2 ALA 59 28.897 42.216 37.449 427 HB3 ALA 59 HB3 ALA 59 29.238 40.808 36.410 428 H SER 60 H SER 60 25.372 40.070 37.146 429 HA SER 60 HA SER 60 25.747 37.310 36.094 430 HB2 SER 60 HB2 SER 60 23.272 37.354 35.932 431 HB3 SER 60 HB1 SER 60 23.858 37.679 37.576 432 HG SER 60 HG SER 60 22.221 39.150 36.876 433 H ARG 61 H ARG 61 26.923 39.672 34.783 434 HA ARG 61 HA ARG 61 25.634 39.549 32.107 435 HB2 ARG 61 HB2 ARG 61 26.416 42.116 33.577 436 HB3 ARG 61 HB1 ARG 61 25.947 42.057 31.882 437 HG2 ARG 61 HG2 ARG 61 24.039 41.205 34.115 438 HG3 ARG 61 HG1 ARG 61 24.226 42.863 33.592 439 HD2 ARG 61 HD2 ARG 61 22.321 41.960 32.492 440 HD3 ARG 61 HD1 ARG 61 23.582 42.273 31.291 441 HE ARG 61 HE ARG 61 23.444 39.515 32.365 442 HH11 ARG 61 1HH1 ARG 61 22.097 41.602 29.886 443 HH12 ARG 61 2HH1 ARG 61 21.707 40.277 28.842 444 HH21 ARG 61 1HH2 ARG 61 22.877 37.870 30.997 445 HH22 ARG 61 2HH2 ARG 61 22.129 38.192 29.464 446 H LYS 62 H LYS 62 27.011 40.282 30.437 447 HA LYS 62 HA LYS 62 29.858 39.621 30.856 448 HB2 LYS 62 HB2 LYS 62 28.822 38.664 28.968 449 HB3 LYS 62 HB1 LYS 62 28.103 40.187 28.454 450 HG2 LYS 62 HG2 LYS 62 31.065 40.263 28.572 451 HG3 LYS 62 HG1 LYS 62 30.459 39.030 27.485 452 HD2 LYS 62 HD2 LYS 62 29.379 41.872 27.279 453 HD3 LYS 62 HD1 LYS 62 30.928 41.440 26.594 454 HE2 LYS 62 HE2 LYS 62 29.235 41.351 24.888 455 HE3 LYS 62 HE1 LYS 62 29.975 39.778 25.154 456 HZ1 LYS 62 HZ1 LYS 62 27.607 39.596 24.880 457 HZ2 LYS 62 HZ2 LYS 62 28.004 39.118 26.390 458 HZ3 LYS 62 HZ3 LYS 62 27.302 40.601 26.140 459 H GLY 63 H GLY 63 28.401 42.443 29.182 460 HA2 GLY 63 HA2 GLY 63 29.169 44.615 28.989 461 HA3 GLY 63 HA1 GLY 63 29.665 44.502 30.683 462 H GLY 64 H GLY 64 31.663 45.456 30.583 463 HA2 GLY 64 HA2 GLY 64 34.008 45.330 30.375 464 HA3 GLY 64 HA1 GLY 64 33.855 44.074 29.157 465 HA PRO 65 HA PRO 65 32.955 48.377 26.949 466 HB2 PRO 65 HB1 PRO 65 34.570 50.056 28.867 467 HB3 PRO 65 HB2 PRO 65 33.145 50.532 27.883 468 HG2 PRO 65 HG1 PRO 65 32.872 50.029 30.531 469 HG3 PRO 65 HG2 PRO 65 31.657 49.393 29.379 470 HD2 PRO 65 HD1 PRO 65 34.011 47.942 30.622 471 HD3 PRO 65 HD2 PRO 65 32.312 47.403 30.459 472 H ARG 66 H ARG 66 34.319 48.658 25.246 473 HA ARG 66 HA ARG 66 37.284 48.566 25.652 474 HB2 ARG 66 HB2 ARG 66 36.510 46.330 24.973 475 HB3 ARG 66 HB1 ARG 66 35.654 47.020 23.577 476 HG2 ARG 66 HG2 ARG 66 37.830 47.860 22.673 477 HG3 ARG 66 HG1 ARG 66 38.678 47.129 24.040 478 HD2 ARG 66 HD2 ARG 66 36.965 45.627 22.006 479 HD3 ARG 66 HD1 ARG 66 38.729 45.775 21.939 480 HE ARG 66 HE ARG 66 38.097 44.754 24.488 481 HH11 ARG 66 1HH1 ARG 66 38.045 43.684 21.162 482 HH12 ARG 66 2HH1 ARG 66 38.300 42.015 21.572 483 HH21 ARG 66 1HH2 ARG 66 38.459 42.594 24.967 484 HH22 ARG 66 2HH2 ARG 66 38.522 41.423 23.694 485 H ARG 67 H ARG 67 38.041 50.428 24.948 486 HA ARG 67 HA ARG 67 36.770 51.800 22.645 487 HB2 ARG 67 HB2 ARG 67 37.506 53.934 23.516 488 HB3 ARG 67 HB1 ARG 67 36.444 53.125 24.673 489 HG2 ARG 67 HG2 ARG 67 38.512 52.391 25.963 490 HG3 ARG 67 HG1 ARG 67 39.497 53.300 24.795 491 HD2 ARG 67 HD2 ARG 67 39.208 54.652 26.735 492 HD3 ARG 67 HD1 ARG 67 38.297 55.376 25.413 493 HE ARG 67 HE ARG 67 36.626 53.612 26.959 494 HH11 ARG 67 1HH1 ARG 67 38.094 56.759 27.178 495 HH12 ARG 67 2HH1 ARG 67 36.895 57.401 28.266 496 HH21 ARG 67 1HH2 ARG 67 35.071 54.463 28.370 497 HH22 ARG 67 2HH2 ARG 67 35.227 56.113 28.919 498 HA PRO 68 HA PRO 68 40.736 51.268 20.663 499 HB2 PRO 68 HB1 PRO 68 40.369 54.021 19.506 500 HB3 PRO 68 HB2 PRO 68 40.662 52.472 18.660 501 HG2 PRO 68 HG1 PRO 68 38.210 53.643 18.645 502 HG3 PRO 68 HG2 PRO 68 38.371 51.866 18.831 503 HD2 PRO 68 HD1 PRO 68 37.972 53.929 21.004 504 HD3 PRO 68 HD2 PRO 68 37.103 52.390 20.721 Start of MODEL 17 1 H PCA 1 H PGA 1 27.986 27.654 37.559 2 HA PCA 1 HA PGA 1 27.696 29.575 39.203 3 HB2 PCA 1 HB1 PGA 1 30.114 30.938 39.137 4 HB3 PCA 1 HB2 PGA 1 29.799 29.545 40.219 5 HG2 PCA 1 HG1 PGA 1 31.288 29.565 37.585 6 HG3 PCA 1 HG2 PGA 1 31.622 28.616 39.083 7 H ASP 2 H ASP 2 27.175 31.737 38.693 8 HA ASP 2 HA ASP 2 26.794 32.519 35.981 9 HB2 ASP 2 HB2 ASP 2 25.428 33.142 37.957 10 HB3 ASP 2 HB1 ASP 2 26.777 34.073 38.601 11 H ARG 3 H ARG 3 29.709 32.455 37.529 12 HA ARG 3 HA ARG 3 30.807 34.875 36.198 13 HB2 ARG 3 HB2 ARG 3 32.041 33.982 38.795 14 HB3 ARG 3 HB1 ARG 3 32.050 35.543 38.008 15 HG2 ARG 3 HG2 ARG 3 30.723 36.026 39.762 16 HG3 ARG 3 HG1 ARG 3 29.485 35.623 38.575 17 HD2 ARG 3 HD2 ARG 3 29.447 33.289 39.551 18 HD3 ARG 3 HD1 ARG 3 30.688 33.792 40.724 19 HE ARG 3 HE ARG 3 28.556 35.611 40.920 20 HH11 ARG 3 1HH1 ARG 3 29.009 32.199 41.433 21 HH12 ARG 3 2HH1 ARG 3 27.691 32.068 42.580 22 HH21 ARG 3 1HH2 ARG 3 26.923 35.429 42.420 23 HH22 ARG 3 2HH2 ARG 3 26.548 33.893 43.151 24 HA PRO 4 HA PRO 4 33.644 32.103 34.470 25 HB2 PRO 4 HB1 PRO 4 36.072 33.335 34.380 26 HB3 PRO 4 HB2 PRO 4 34.656 33.864 33.409 27 HG2 PRO 4 HG1 PRO 4 35.745 35.044 35.958 28 HG3 PRO 4 HG2 PRO 4 35.092 35.891 34.524 29 HD2 PRO 4 HD1 PRO 4 33.697 35.386 36.835 30 HD3 PRO 4 HD2 PRO 4 32.898 35.630 35.251 31 H LYS 5 H LYS 5 34.936 30.336 34.966 32 HA LYS 5 HA LYS 5 35.561 29.830 37.700 33 HB2 LYS 5 HB2 LYS 5 36.198 27.733 37.112 34 HB3 LYS 5 HB1 LYS 5 35.084 28.134 35.804 35 HG2 LYS 5 HG2 LYS 5 37.061 28.681 34.341 36 HG3 LYS 5 HG1 LYS 5 38.151 28.262 35.689 37 HD2 LYS 5 HD2 LYS 5 37.140 25.940 35.717 38 HD3 LYS 5 HD1 LYS 5 36.252 26.380 34.247 39 HE2 LYS 5 HE2 LYS 5 38.220 25.205 33.557 40 HE3 LYS 5 HE1 LYS 5 38.429 26.896 33.106 41 HZ1 LYS 5 HZ1 LYS 5 40.427 25.977 34.129 42 HZ2 LYS 5 HZ2 LYS 5 39.829 27.167 35.099 43 HZ3 LYS 5 HZ3 LYS 5 39.617 25.585 35.495 44 H PHE 6 H PHE 6 37.568 31.338 35.237 45 HA PHE 6 HA PHE 6 40.082 30.884 36.601 46 HB2 PHE 6 HB2 PHE 6 40.957 32.675 35.204 47 HB3 PHE 6 HB1 PHE 6 40.123 31.444 34.280 48 HD1 PHE 6 HD1 PHE 6 39.582 34.857 35.839 49 HD2 PHE 6 HD2 PHE 6 38.627 32.147 32.600 50 HE1 PHE 6 HE1 PHE 6 38.256 36.621 34.746 51 HE2 PHE 6 HE2 PHE 6 37.323 33.950 31.498 52 HZ PHE 6 HZ PHE 6 37.122 36.178 32.575 53 H CYS 7 H CYS 7 37.383 32.924 37.306 54 HA CYS 7 HA CYS 7 38.625 34.894 38.903 55 HB2 CYS 7 HB2 CYS 7 36.279 34.908 38.126 56 HB3 CYS 7 HB1 CYS 7 35.931 33.576 39.243 57 H TYR 8 H TYR 8 38.156 31.452 39.491 58 HA TYR 8 HA TYR 8 38.522 31.689 42.411 59 HB2 TYR 8 HB2 TYR 8 38.142 29.302 40.552 60 HB3 TYR 8 HB1 TYR 8 38.316 29.196 42.292 61 HD1 TYR 8 HD1 TYR 8 36.130 30.796 39.666 62 HD2 TYR 8 HD2 TYR 8 36.454 29.305 43.698 63 HE1 TYR 8 HE1 TYR 8 33.694 31.124 39.973 64 HE2 TYR 8 HE2 TYR 8 34.008 29.623 44.005 65 HH TYR 8 HH TYR 8 32.071 30.242 43.031 66 H LEU 9 H LEU 9 40.642 31.688 39.798 67 HA LEU 9 HA LEU 9 42.646 29.923 40.936 68 HB2 LEU 9 HB2 LEU 9 42.798 31.997 38.735 69 HB3 LEU 9 HB1 LEU 9 44.096 30.878 39.165 70 HG LEU 9 HG LEU 9 41.345 29.914 38.269 71 HD11 LEU 9 1HD1 LEU 9 42.244 29.562 36.066 72 HD12 LEU 9 2HD1 LEU 9 42.499 31.275 36.504 73 HD13 LEU 9 3HD1 LEU 9 43.851 30.122 36.579 74 HD21 LEU 9 1HD2 LEU 9 42.615 27.820 37.791 75 HD22 LEU 9 2HD2 LEU 9 44.079 28.559 38.464 76 HD23 LEU 9 3HD2 LEU 9 42.677 28.236 39.509 77 HA PRO 10 HA PRO 10 43.780 33.026 44.055 78 HB2 PRO 10 HB1 PRO 10 46.250 31.955 44.736 79 HB3 PRO 10 HB2 PRO 10 44.671 31.470 45.409 80 HG2 PRO 10 HG1 PRO 10 46.225 30.183 43.157 81 HG3 PRO 10 HG2 PRO 10 45.388 29.381 44.527 82 HD2 PRO 10 HD1 PRO 10 44.256 29.518 42.101 83 HD3 PRO 10 HD2 PRO 10 43.246 29.784 43.562 84 H ASP 11 H ASP 11 45.513 34.677 44.364 85 HA ASP 11 HA ASP 11 46.177 35.952 41.933 86 HB2 ASP 11 HB2 ASP 11 47.710 37.329 43.350 87 HB3 ASP 11 HB1 ASP 11 46.027 37.309 43.814 88 H ASP 12 H ASP 12 47.397 35.149 40.403 89 HA ASP 12 HA ASP 12 49.924 33.696 41.065 90 HB2 ASP 12 HB2 ASP 12 48.140 32.243 40.169 91 HB3 ASP 12 HB1 ASP 12 48.083 33.249 38.715 92 HA PRO 13 HA PRO 13 51.130 37.536 38.731 93 HB2 PRO 13 HB1 PRO 13 53.527 37.808 40.175 94 HB3 PRO 13 HB2 PRO 13 51.969 38.555 40.610 95 HG2 PRO 13 HG1 PRO 13 53.111 36.024 41.716 96 HG3 PRO 13 HG2 PRO 13 52.376 37.413 42.585 97 HD2 PRO 13 HD1 PRO 13 50.947 35.217 42.055 98 HD3 PRO 13 HD2 PRO 13 50.196 36.824 41.858 99 H GLY 14 H GLY 14 52.265 34.376 39.079 100 HA2 GLY 14 HA2 GLY 14 53.303 33.140 37.388 101 HA3 GLY 14 HA1 GLY 14 54.012 34.602 36.713 102 H VAL 15 H VAL 15 55.766 32.867 36.699 103 HA VAL 15 HA VAL 15 57.090 32.085 39.119 104 HB VAL 15 HB VAL 15 58.208 32.255 36.283 105 HG11 VAL 15 1HG1 VAL 15 59.688 30.413 37.012 106 HG12 VAL 15 2HG1 VAL 15 59.983 31.885 37.935 107 HG13 VAL 15 3HG1 VAL 15 59.059 30.549 38.665 108 HG21 VAL 15 1HG2 VAL 15 57.576 29.857 36.109 109 HG22 VAL 15 2HG2 VAL 15 56.735 29.973 37.663 110 HG23 VAL 15 3HG2 VAL 15 56.160 30.891 36.264 111 H CYS 16 H CYS 16 57.626 34.751 36.880 112 HA CYS 16 HA CYS 16 60.063 35.688 38.221 113 HB2 CYS 16 HB2 CYS 16 58.332 36.826 36.019 114 HB3 CYS 16 HB1 CYS 16 59.675 37.729 36.713 115 H LYS 17 H LYS 17 60.284 37.743 39.164 116 HA LYS 17 HA LYS 17 57.919 38.718 40.718 117 HB2 LYS 17 HB2 LYS 17 59.414 38.936 42.662 118 HB3 LYS 17 HB1 LYS 17 59.082 37.282 42.194 119 HG2 LYS 17 HG2 LYS 17 61.611 38.667 41.193 120 HG3 LYS 17 HG1 LYS 17 61.534 38.102 42.847 121 HD2 LYS 17 HD2 LYS 17 61.253 36.350 40.368 122 HD3 LYS 17 HD1 LYS 17 62.663 36.484 41.402 123 HE2 LYS 17 HE2 LYS 17 59.927 35.405 42.210 124 HE3 LYS 17 HE1 LYS 17 61.344 34.444 41.842 125 HZ1 LYS 17 HZ1 LYS 17 61.090 34.751 44.228 126 HZ2 LYS 17 HZ2 LYS 17 62.486 35.466 43.719 127 HZ3 LYS 17 HZ3 LYS 17 61.159 36.385 44.078 128 H ALA 18 H ALA 18 58.309 40.027 38.541 129 HA ALA 18 HA ALA 18 60.149 42.288 38.876 130 HB1 ALA 18 HB1 ALA 18 59.328 43.042 36.766 131 HB2 ALA 18 HB2 ALA 18 59.495 41.282 36.632 132 HB3 ALA 18 HB3 ALA 18 57.887 42.022 36.861 133 H HIS 19 H HIS 19 57.754 44.074 37.831 134 HA HIS 19 HA HIS 19 56.216 44.338 40.287 135 HB2 HIS 19 HB2 HIS 19 58.520 45.470 40.642 136 HB3 HIS 19 HB1 HIS 19 57.939 46.730 39.560 137 HD1 HIS 19 HD1 HIS 19 58.061 45.914 43.084 138 HD2 HIS 19 HD2 HIS 19 55.254 47.676 40.472 139 HE1 HIS 19 HE1 HIS 19 56.420 47.254 44.582 140 HE2 HIS 19 HE2 HIS 19 54.702 48.304 42.968 141 H ILE 20 H ILE 20 54.437 43.976 38.876 142 HA ILE 20 HA ILE 20 53.636 46.489 37.461 143 HB ILE 20 HB ILE 20 52.823 43.728 36.601 144 HG12 ILE 20 2HG1 ILE 20 55.185 45.381 35.703 145 HG13 ILE 20 1HG1 ILE 20 55.184 43.712 36.294 146 HG21 ILE 20 1HG2 ILE 20 52.133 44.953 34.565 147 HG22 ILE 20 2HG2 ILE 20 51.313 45.594 35.989 148 HG23 ILE 20 3HG2 ILE 20 52.700 46.462 35.282 149 HD11 ILE 20 HD1 ILE 20 55.555 43.595 33.971 150 HD12 ILE 20 HD2 ILE 20 53.871 43.104 34.172 151 HD13 ILE 20 HD3 ILE 20 54.262 44.736 33.600 152 HA PRO 21 HA PRO 21 50.403 46.273 40.650 153 HB2 PRO 21 HB1 PRO 21 49.226 48.429 38.912 154 HB3 PRO 21 HB2 PRO 21 49.376 48.365 40.688 155 HG2 PRO 21 HG1 PRO 21 51.096 49.858 39.223 156 HG3 PRO 21 HG2 PRO 21 51.716 48.857 40.570 157 HD2 PRO 21 HD1 PRO 21 51.729 48.222 37.611 158 HD3 PRO 21 HD2 PRO 21 53.048 48.053 38.809 159 H ARG 22 H ARG 22 49.008 44.604 40.585 160 HA ARG 22 HA ARG 22 47.110 44.423 38.350 161 HB2 ARG 22 HB2 ARG 22 49.296 42.990 38.064 162 HB3 ARG 22 HB1 ARG 22 48.626 41.981 39.338 163 HG2 ARG 22 HG2 ARG 22 48.106 41.006 37.176 164 HG3 ARG 22 HG1 ARG 22 46.610 41.592 37.884 165 HD2 ARG 22 HD2 ARG 22 46.569 42.254 35.582 166 HD3 ARG 22 HD1 ARG 22 46.886 43.714 36.488 167 HE ARG 22 HE ARG 22 49.138 42.185 35.296 168 HH11 ARG 22 1HH1 ARG 22 47.349 45.228 35.465 169 HH12 ARG 22 2HH1 ARG 22 48.207 45.942 34.171 170 HH21 ARG 22 1HH2 ARG 22 50.291 43.202 33.696 171 HH22 ARG 22 2HH2 ARG 22 49.905 44.854 33.271 172 H PHE 23 H PHE 23 45.347 42.942 38.795 173 HA PHE 23 HA PHE 23 44.743 42.696 41.703 174 HB2 PHE 23 HB2 PHE 23 43.097 43.911 39.466 175 HB3 PHE 23 HB1 PHE 23 42.383 43.372 40.958 176 HD1 PHE 23 HD1 PHE 23 42.279 44.836 42.799 177 HD2 PHE 23 HD2 PHE 23 45.067 45.652 39.623 178 HE1 PHE 23 HE1 PHE 23 42.857 47.047 43.820 179 HE2 PHE 23 HE2 PHE 23 45.604 47.824 40.652 180 HZ PHE 23 HZ PHE 23 44.453 48.555 42.704 181 H TYR 24 H TYR 24 43.392 41.084 42.334 182 HA TYR 24 HA TYR 24 42.277 39.273 40.270 183 HB2 TYR 24 HB2 TYR 24 43.697 37.618 40.603 184 HB3 TYR 24 HB1 TYR 24 44.641 38.584 41.700 185 HD1 TYR 24 HD1 TYR 24 43.736 38.756 44.150 186 HD2 TYR 24 HD2 TYR 24 42.886 35.603 41.412 187 HE1 TYR 24 HE1 TYR 24 43.107 37.251 46.071 188 HE2 TYR 24 HE2 TYR 24 42.074 34.168 43.263 189 HH TYR 24 HH TYR 24 42.027 33.906 45.501 190 H TYR 25 H TYR 25 40.500 38.044 41.005 191 HA TYR 25 HA TYR 25 39.139 39.301 43.348 192 HB2 TYR 25 HB2 TYR 25 37.975 39.297 41.135 193 HB3 TYR 25 HB1 TYR 25 37.952 37.548 41.204 194 HD1 TYR 25 HD1 TYR 25 36.631 40.669 42.580 195 HD2 TYR 25 HD2 TYR 25 36.494 36.391 42.922 196 HE1 TYR 25 HE1 TYR 25 34.631 40.845 44.082 197 HE2 TYR 25 HE2 TYR 25 34.400 36.562 44.253 198 HH TYR 25 HH TYR 25 32.813 38.040 45.208 199 H ASN 26 H ASN 26 38.894 38.186 45.199 200 HA ASN 26 HA ASN 26 39.599 35.303 45.263 201 HB2 ASN 26 HB2 ASN 26 40.817 36.909 46.741 202 HB3 ASN 26 HB1 ASN 26 39.298 37.279 47.557 203 HD21 ASN 26 1HD2 ASN 26 41.899 35.731 48.370 204 HD22 ASN 26 2HD2 ASN 26 41.110 34.449 49.272 205 HA PRO 27 HA PRO 27 35.021 35.102 45.609 206 HB2 PRO 27 HB1 PRO 27 34.609 32.690 44.400 207 HB3 PRO 27 HB2 PRO 27 34.911 34.190 43.474 208 HG2 PRO 27 HG1 PRO 27 36.895 32.041 44.243 209 HG3 PRO 27 HG2 PRO 27 36.628 32.814 42.638 210 HD2 PRO 27 HD1 PRO 27 38.615 33.615 44.363 211 HD3 PRO 27 HD2 PRO 27 37.750 34.750 43.289 212 H ALA 28 H ALA 28 37.580 33.142 46.907 213 HA ALA 28 HA ALA 28 35.876 31.508 48.601 214 HB1 ALA 28 HB1 ALA 28 37.966 30.839 49.641 215 HB2 ALA 28 HB2 ALA 28 38.175 30.837 47.882 216 HB3 ALA 28 HB3 ALA 28 38.845 32.153 48.858 217 H SER 29 H SER 29 36.851 34.807 48.690 218 HA SER 29 HA SER 29 35.504 35.055 51.357 219 HB2 SER 29 HB2 SER 29 37.983 36.610 50.575 220 HB3 SER 29 HB1 SER 29 37.122 36.656 52.120 221 HG SER 29 HG SER 29 37.624 34.208 51.955 222 H ASN 30 H ASN 30 34.992 35.718 48.315 223 HA ASN 30 HA ASN 30 34.105 37.336 47.029 224 HB2 ASN 30 HB2 ASN 30 32.279 36.609 48.563 225 HB3 ASN 30 HB1 ASN 30 32.603 38.004 49.593 226 HD21 ASN 30 1HD2 ASN 30 32.171 40.128 48.662 227 HD22 ASN 30 2HD2 ASN 30 30.949 40.241 47.384 228 H LYS 31 H LYS 31 36.508 38.245 47.362 229 HA LYS 31 HA LYS 31 36.137 41.155 47.389 230 HB2 LYS 31 HB2 LYS 31 37.795 41.643 49.136 231 HB3 LYS 31 HB1 LYS 31 36.416 40.772 49.754 232 HG2 LYS 31 HG2 LYS 31 37.982 39.563 50.837 233 HG3 LYS 31 HG1 LYS 31 37.979 38.615 49.357 234 HD2 LYS 31 HD2 LYS 31 40.245 38.968 49.991 235 HD3 LYS 31 HD1 LYS 31 39.974 39.989 48.577 236 HE2 LYS 31 HE2 LYS 31 39.530 41.930 50.155 237 HE3 LYS 31 HE1 LYS 31 39.978 40.863 51.497 238 HZ1 LYS 31 HZ1 LYS 31 41.845 42.201 50.777 239 HZ2 LYS 31 HZ2 LYS 31 42.163 40.632 50.469 240 HZ3 LYS 31 HZ3 LYS 31 41.734 41.653 49.230 241 H CYS 32 H CYS 32 37.594 42.273 46.196 242 HA CYS 32 HA CYS 32 39.695 40.718 44.791 243 HB2 CYS 32 HB2 CYS 32 38.149 41.998 43.506 244 HB3 CYS 32 HB1 CYS 32 38.563 43.484 44.349 245 H LYS 33 H LYS 33 41.879 41.315 44.733 246 HA LYS 33 HA LYS 33 42.817 43.356 46.690 247 HB2 LYS 33 HB2 LYS 33 44.652 41.919 47.447 248 HB3 LYS 33 HB1 LYS 33 43.082 41.226 47.898 249 HG2 LYS 33 HG2 LYS 33 43.194 39.584 46.156 250 HG3 LYS 33 HG1 LYS 33 44.585 40.390 45.401 251 HD2 LYS 33 HD2 LYS 33 45.514 38.566 46.318 252 HD3 LYS 33 HD1 LYS 33 45.948 39.833 47.444 253 HE2 LYS 33 HE2 LYS 33 44.409 39.006 49.110 254 HE3 LYS 33 HE1 LYS 33 43.585 37.974 47.907 255 HZ1 LYS 33 HZ1 LYS 33 45.163 36.581 49.150 256 HZ2 LYS 33 HZ2 LYS 33 45.725 36.771 47.607 257 HZ3 LYS 33 HZ3 LYS 33 46.399 37.605 48.783 258 H GLU 34 H GLU 34 44.834 44.251 46.233 259 HA GLU 34 HA GLU 34 45.649 44.235 43.386 260 HB2 GLU 34 HB2 GLU 34 45.252 46.373 44.618 261 HB3 GLU 34 HB1 GLU 34 46.512 45.933 45.762 262 HG2 GLU 34 HG2 GLU 34 48.168 45.869 43.882 263 HG3 GLU 34 HG1 GLU 34 46.907 46.350 42.757 264 H PHE 35 H PHE 35 47.237 42.824 42.851 265 HA PHE 35 HA PHE 35 49.262 42.003 44.867 266 HB2 PHE 35 HB2 PHE 35 49.398 39.837 44.053 267 HB3 PHE 35 HB1 PHE 35 47.670 40.115 44.198 268 HD1 PHE 35 HD1 PHE 35 46.253 40.024 42.197 269 HD2 PHE 35 HD2 PHE 35 50.523 39.831 41.848 270 HE1 PHE 35 HE1 PHE 35 46.027 39.246 39.824 271 HE2 PHE 35 HE2 PHE 35 50.293 39.241 39.447 272 HZ PHE 35 HZ PHE 35 48.060 38.835 38.466 273 H ILE 36 H ILE 36 51.410 41.645 43.890 274 HA ILE 36 HA ILE 36 51.822 43.458 41.553 275 HB ILE 36 HB ILE 36 53.655 42.499 43.757 276 HG12 ILE 36 2HG1 ILE 36 52.383 44.523 44.248 277 HG13 ILE 36 1HG1 ILE 36 54.079 44.913 44.011 278 HG21 ILE 36 1HG2 ILE 36 55.484 43.757 42.493 279 HG22 ILE 36 2HG2 ILE 36 55.039 42.179 41.851 280 HG23 ILE 36 3HG2 ILE 36 54.414 43.641 41.059 281 HD11 ILE 36 HD1 ILE 36 52.800 46.637 42.955 282 HD12 ILE 36 HD2 ILE 36 53.485 45.683 41.631 283 HD13 ILE 36 HD3 ILE 36 51.777 45.483 42.120 284 H TYR 37 H TYR 37 51.899 42.694 39.681 285 HA TYR 37 HA TYR 37 52.455 39.888 39.104 286 HB2 TYR 37 HB2 TYR 37 50.613 40.993 38.059 287 HB3 TYR 37 HB1 TYR 37 51.629 42.230 37.402 288 HD1 TYR 37 HD1 TYR 37 50.360 38.825 37.007 289 HD2 TYR 37 HD2 TYR 37 53.319 41.639 35.617 290 HE1 TYR 37 HE1 TYR 37 50.726 37.458 34.966 291 HE2 TYR 37 HE2 TYR 37 53.580 40.331 33.523 292 HH TYR 37 HH TYR 37 52.922 38.466 32.350 293 H GLY 38 H GLY 38 54.047 39.051 37.882 294 HA2 GLY 38 HA2 GLY 38 56.598 40.526 37.915 295 HA3 GLY 38 HA1 GLY 38 56.375 38.788 37.663 296 H GLY 39 H GLY 39 55.956 38.027 35.633 297 HA2 GLY 39 HA2 GLY 39 55.463 39.314 33.221 298 HA3 GLY 39 HA1 GLY 39 57.169 39.603 33.493 299 H CYS 40 H CYS 40 55.857 36.549 34.648 300 HA CYS 40 HA CYS 40 56.845 35.088 32.288 301 HB2 CYS 40 HB2 CYS 40 58.063 34.580 35.019 302 HB3 CYS 40 HB1 CYS 40 58.456 33.764 33.521 303 H GLY 41 H GLY 41 54.372 35.067 32.616 304 HA2 GLY 41 HA2 GLY 41 52.860 33.136 32.681 305 HA3 GLY 41 HA1 GLY 41 53.570 32.651 34.216 306 H GLY 42 H GLY 42 50.929 32.853 34.016 307 HA2 GLY 42 HA2 GLY 42 50.007 34.065 36.171 308 HA3 GLY 42 HA1 GLY 42 49.907 35.413 35.021 309 H ASN 43 H ASN 43 47.887 33.704 36.436 310 HA ASN 43 HA ASN 43 46.419 32.299 34.343 311 HB2 ASN 43 HB2 ASN 43 44.675 32.128 36.053 312 HB3 ASN 43 HB1 ASN 43 46.255 31.653 36.686 313 HD21 ASN 43 1HD2 ASN 43 45.950 32.104 38.880 314 HD22 ASN 43 2HD2 ASN 43 45.433 33.638 39.483 315 H ALA 44 H ALA 44 43.945 33.056 34.066 316 HA ALA 44 HA ALA 44 44.034 35.603 32.694 317 HB1 ALA 44 HB1 ALA 44 41.663 35.098 32.197 318 HB2 ALA 44 HB2 ALA 44 42.697 33.695 31.880 319 HB3 ALA 44 HB3 ALA 44 41.693 33.761 33.350 320 H ASN 45 H ASN 45 43.895 35.182 35.966 321 HA ASN 45 HA ASN 45 41.794 37.194 36.498 322 HB2 ASN 45 HB2 ASN 45 42.431 34.738 37.754 323 HB3 ASN 45 HB1 ASN 45 43.129 35.928 38.828 324 HD21 ASN 45 1HD2 ASN 45 41.546 35.155 40.337 325 HD22 ASN 45 2HD2 ASN 45 39.901 35.695 40.289 326 H ASN 46 H ASN 46 43.116 38.749 35.425 327 HA ASN 46 HA ASN 46 45.100 40.004 37.252 328 HB2 ASN 46 HB2 ASN 46 46.728 40.101 35.373 329 HB3 ASN 46 HB1 ASN 46 46.318 38.465 35.832 330 HD21 ASN 46 1HD2 ASN 46 45.580 40.924 33.330 331 HD22 ASN 46 2HD2 ASN 46 45.346 39.680 32.121 332 H PHE 47 H PHE 47 43.488 41.571 37.648 333 HA PHE 47 HA PHE 47 42.764 43.420 35.423 334 HB2 PHE 47 HB2 PHE 47 41.685 42.877 38.207 335 HB3 PHE 47 HB1 PHE 47 41.155 44.231 37.247 336 HD1 PHE 47 HD1 PHE 47 40.828 43.241 34.532 337 HD2 PHE 47 HD2 PHE 47 40.139 41.146 38.241 338 HE1 PHE 47 HE1 PHE 47 39.370 41.671 33.350 339 HE2 PHE 47 HE2 PHE 47 38.693 39.535 37.042 340 HZ PHE 47 HZ PHE 47 38.372 39.775 34.559 341 H GLU 48 H GLU 48 42.470 45.815 36.142 342 HA GLU 48 HA GLU 48 45.020 46.689 37.446 343 HB2 GLU 48 HB2 GLU 48 43.247 48.075 35.411 344 HB3 GLU 48 HB1 GLU 48 44.746 48.715 36.121 345 HG2 GLU 48 HG2 GLU 48 45.951 46.678 35.283 346 HG3 GLU 48 HG1 GLU 48 44.491 46.201 34.409 347 H THR 49 H THR 49 41.647 46.671 37.939 348 HA THR 49 HA THR 49 42.039 48.301 40.393 349 HB THR 49 HB THR 49 39.986 49.534 39.987 350 HG1 THR 49 HG1 THR 49 39.943 48.178 37.504 351 HG21 THR 49 1HG2 THR 49 40.589 51.046 38.234 352 HG22 THR 49 2HG2 THR 49 42.054 50.573 39.126 353 HG23 THR 49 3HG2 THR 49 41.715 49.877 37.524 354 H ARG 50 H ARG 50 40.209 48.222 41.861 355 HA ARG 50 HA ARG 50 39.043 45.574 42.189 356 HB2 ARG 50 HB2 ARG 50 38.406 48.155 43.672 357 HB3 ARG 50 HB1 ARG 50 37.933 46.522 44.166 358 HG2 ARG 50 HG2 ARG 50 40.344 45.895 44.381 359 HG3 ARG 50 HG1 ARG 50 40.789 47.528 43.875 360 HD2 ARG 50 HD2 ARG 50 40.990 47.357 46.253 361 HD3 ARG 50 HD1 ARG 50 39.745 48.523 45.796 362 HE ARG 50 HE ARG 50 38.615 45.900 46.277 363 HH11 ARG 50 1HH1 ARG 50 40.020 48.546 48.073 364 HH12 ARG 50 2HH1 ARG 50 39.055 48.269 49.490 365 HH21 ARG 50 1HH2 ARG 50 37.328 45.606 48.127 366 HH22 ARG 50 2HH2 ARG 50 37.574 46.645 49.495 367 H ALA 51 H ALA 51 38.082 48.209 40.251 368 HA ALA 51 HA ALA 51 35.210 48.061 40.737 369 HB1 ALA 51 HB1 ALA 51 35.097 49.630 38.813 370 HB2 ALA 51 HB2 ALA 51 36.295 50.165 40.021 371 HB3 ALA 51 HB3 ALA 51 36.830 49.396 38.515 372 H GLU 52 H GLU 52 37.321 47.154 37.969 373 HA GLU 52 HA GLU 52 35.396 45.612 36.531 374 HB2 GLU 52 HB2 GLU 52 37.314 44.837 35.278 375 HB3 GLU 52 HB1 GLU 52 37.401 46.579 35.577 376 HG2 GLU 52 HG2 GLU 52 38.815 45.874 37.701 377 HG3 GLU 52 HG1 GLU 52 38.974 44.347 36.854 378 H CYS 53 H CYS 53 37.858 44.591 38.989 379 HA CYS 53 HA CYS 53 37.334 41.907 39.219 380 HB2 CYS 53 HB2 CYS 53 38.135 44.121 40.955 381 HB3 CYS 53 HB1 CYS 53 37.286 42.891 41.859 382 H ARG 54 H ARG 54 35.174 44.478 40.457 383 HA ARG 54 HA ARG 54 33.180 42.522 41.452 384 HB2 ARG 54 HB2 ARG 54 33.031 45.556 41.174 385 HB3 ARG 54 HB1 ARG 54 31.790 44.537 41.911 386 HG2 ARG 54 HG2 ARG 54 33.391 43.784 43.643 387 HG3 ARG 54 HG1 ARG 54 34.636 44.836 42.975 388 HD2 ARG 54 HD2 ARG 54 31.956 45.691 44.132 389 HD3 ARG 54 HD1 ARG 54 33.544 45.901 44.889 390 HE ARG 54 HE ARG 54 33.653 47.183 42.384 391 HH11 ARG 54 1HH1 ARG 54 32.000 47.633 45.435 392 HH12 ARG 54 2HH1 ARG 54 31.835 49.350 45.229 393 HH21 ARG 54 1HH2 ARG 54 33.358 49.432 42.144 394 HH22 ARG 54 2HH2 ARG 54 32.567 50.326 43.399 395 H HIS 55 H HIS 55 33.877 43.830 38.369 396 HA HIS 55 HA HIS 55 31.069 43.385 37.416 397 HB2 HIS 55 HB2 HIS 55 33.457 44.700 36.082 398 HB3 HIS 55 HB1 HIS 55 31.983 44.275 35.245 399 HD1 HIS 55 HD1 HIS 55 33.022 46.551 38.177 400 HD2 HIS 55 HD2 HIS 55 30.106 46.009 35.186 401 HE1 HIS 55 HE1 HIS 55 31.522 48.683 38.229 402 HE2 HIS 55 HE2 HIS 55 29.756 48.324 36.366 403 H THR 56 H THR 56 34.269 41.972 37.346 404 HA THR 56 HA THR 56 33.530 39.939 35.418 405 HB THR 56 HB THR 56 35.891 40.089 37.326 406 HG1 THR 56 HG1 THR 56 36.895 41.040 35.493 407 HG21 THR 56 1HG2 THR 56 37.019 38.633 35.703 408 HG22 THR 56 2HG2 THR 56 35.571 37.850 36.230 409 HG23 THR 56 3HG2 THR 56 35.583 38.649 34.650 410 H CYS 57 H CYS 57 33.581 40.096 38.985 411 HA CYS 57 HA CYS 57 32.464 37.335 39.001 412 HB2 CYS 57 HB2 CYS 57 35.000 37.995 39.688 413 HB3 CYS 57 HB1 CYS 57 34.210 38.160 41.245 414 H VAL 58 H VAL 58 31.427 40.290 39.586 415 HA VAL 58 HA VAL 58 29.548 39.414 41.644 416 HB VAL 58 HB VAL 58 30.783 42.161 42.083 417 HG11 VAL 58 1HG1 VAL 58 29.775 41.935 44.288 418 HG12 VAL 58 2HG1 VAL 58 28.519 41.651 43.084 419 HG13 VAL 58 3HG1 VAL 58 29.253 40.278 43.913 420 HG21 VAL 58 1HG2 VAL 58 32.034 41.210 43.980 421 HG22 VAL 58 2HG2 VAL 58 31.569 39.586 43.439 422 HG23 VAL 58 3HG2 VAL 58 32.635 40.588 42.434 423 H ALA 59 H ALA 59 29.113 42.623 41.342 424 HA ALA 59 HA ALA 59 27.652 43.943 40.335 425 HB1 ALA 59 HB1 ALA 59 27.423 43.923 37.901 426 HB2 ALA 59 HB2 ALA 59 29.120 43.771 38.411 427 HB3 ALA 59 HB3 ALA 59 28.221 42.353 37.819 428 H SER 60 H SER 60 25.615 44.097 40.747 429 HA SER 60 HA SER 60 23.620 42.231 39.688 430 HB2 SER 60 HB2 SER 60 22.806 41.646 41.997 431 HB3 SER 60 HB1 SER 60 24.364 40.929 41.571 432 HG SER 60 HG SER 60 24.287 41.903 43.676 433 H ARG 61 H ARG 61 23.953 44.856 39.131 434 HA ARG 61 HA ARG 61 23.226 47.028 39.305 435 HB2 ARG 61 HB2 ARG 61 20.836 47.326 39.125 436 HB3 ARG 61 HB1 ARG 61 21.347 45.929 38.195 437 HG2 ARG 61 HG2 ARG 61 20.462 44.388 39.842 438 HG3 ARG 61 HG1 ARG 61 20.072 45.701 40.968 439 HD2 ARG 61 HD2 ARG 61 18.859 45.177 38.240 440 HD3 ARG 61 HD1 ARG 61 18.131 44.801 39.804 441 HE ARG 61 HE ARG 61 18.755 47.614 39.599 442 HH11 ARG 61 1HH1 ARG 61 16.431 45.270 38.437 443 HH12 ARG 61 2HH1 ARG 61 15.198 46.464 38.170 444 HH21 ARG 61 1HH2 ARG 61 17.108 49.141 39.209 445 HH22 ARG 61 2HH2 ARG 61 15.588 48.576 38.624 446 H LYS 62 H LYS 62 20.970 47.956 40.972 447 HA LYS 62 HA LYS 62 20.862 49.265 42.930 448 HB2 LYS 62 HB2 LYS 62 19.834 46.913 43.219 449 HB3 LYS 62 HB1 LYS 62 21.277 46.512 44.137 450 HG2 LYS 62 HG2 LYS 62 19.712 47.135 45.782 451 HG3 LYS 62 HG1 LYS 62 20.742 48.541 45.632 452 HD2 LYS 62 HD2 LYS 62 18.501 49.349 45.767 453 HD3 LYS 62 HD1 LYS 62 19.016 49.596 44.107 454 HE2 LYS 62 HE2 LYS 62 16.753 48.757 44.097 455 HE3 LYS 62 HE1 LYS 62 17.802 47.491 43.444 456 HZ1 LYS 62 HZ1 LYS 62 16.206 46.592 45.067 457 HZ2 LYS 62 HZ2 LYS 62 17.734 46.437 45.662 458 HZ3 LYS 62 HZ3 LYS 62 16.753 47.608 46.224 459 H GLY 63 H GLY 63 22.955 50.297 42.424 460 HA2 GLY 63 HA2 GLY 63 25.316 49.604 43.994 461 HA3 GLY 63 HA1 GLY 63 25.041 51.116 43.112 462 H GLY 64 H GLY 64 26.223 51.737 45.241 463 HA2 GLY 64 HA2 GLY 64 24.533 52.051 47.610 464 HA3 GLY 64 HA1 GLY 64 26.152 52.692 47.387 465 HA PRO 65 HA PRO 65 24.205 56.604 46.922 466 HB2 PRO 65 HB1 PRO 65 26.022 58.141 45.615 467 HB3 PRO 65 HB2 PRO 65 26.349 57.447 47.223 468 HG2 PRO 65 HG1 PRO 65 27.216 56.375 44.514 469 HG3 PRO 65 HG2 PRO 65 28.213 56.593 45.987 470 HD2 PRO 65 HD1 PRO 65 27.067 54.186 45.302 471 HD3 PRO 65 HD2 PRO 65 27.314 54.688 47.004 472 H ARG 66 H ARG 66 22.586 57.358 45.701 473 HA ARG 66 HA ARG 66 22.749 57.410 42.749 474 HB2 ARG 66 HB2 ARG 66 20.719 55.841 44.398 475 HB3 ARG 66 HB1 ARG 66 20.319 56.376 42.780 476 HG2 ARG 66 HG2 ARG 66 22.622 54.516 43.417 477 HG3 ARG 66 HG1 ARG 66 21.041 54.089 42.751 478 HD2 ARG 66 HD2 ARG 66 21.460 55.638 40.828 479 HD3 ARG 66 HD1 ARG 66 23.105 55.901 41.426 480 HE ARG 66 HE ARG 66 23.388 53.396 41.223 481 HH11 ARG 66 1HH1 ARG 66 21.503 55.285 38.966 482 HH12 ARG 66 2HH1 ARG 66 21.848 54.255 37.613 483 HH21 ARG 66 1HH2 ARG 66 23.863 52.126 39.430 484 HH22 ARG 66 2HH2 ARG 66 23.131 52.501 37.897 485 H ARG 67 H ARG 67 23.069 59.601 44.158 486 HA ARG 67 HA ARG 67 22.341 61.788 44.442 487 HB2 ARG 67 HB2 ARG 67 21.865 61.644 42.050 488 HB3 ARG 67 HB1 ARG 67 20.274 60.986 42.398 489 HG2 ARG 67 HG2 ARG 67 19.762 63.168 43.678 490 HG3 ARG 67 HG1 ARG 67 21.281 63.784 43.024 491 HD2 ARG 67 HD2 ARG 67 19.427 64.485 41.622 492 HD3 ARG 67 HD1 ARG 67 20.439 63.341 40.729 493 HE ARG 67 HE ARG 67 18.092 62.281 42.207 494 HH11 ARG 67 1HH1 ARG 67 19.291 63.218 39.067 495 HH12 ARG 67 2HH1 ARG 67 18.065 62.336 38.201 496 HH21 ARG 67 1HH2 ARG 67 16.518 61.235 41.064 497 HH22 ARG 67 2HH2 ARG 67 16.493 61.248 39.332 498 HA PRO 68 HA PRO 68 19.423 60.418 47.728 499 HB2 PRO 68 HB1 PRO 68 20.923 62.569 49.182 500 HB3 PRO 68 HB2 PRO 68 20.494 60.926 49.730 501 HG2 PRO 68 HG1 PRO 68 23.046 61.551 48.993 502 HG3 PRO 68 HG2 PRO 68 22.313 59.975 48.535 503 HD2 PRO 68 HD1 PRO 68 22.541 62.489 46.866 504 HD3 PRO 68 HD2 PRO 68 22.960 60.802 46.421 Start of MODEL 18 1 H PCA 1 H PGA 1 28.399 26.911 38.628 2 HA PCA 1 HA PGA 1 27.670 28.735 40.299 3 HB2 PCA 1 HB1 PGA 1 29.891 30.376 40.508 4 HB3 PCA 1 HB2 PGA 1 29.628 28.947 41.555 5 HG2 PCA 1 HG1 PGA 1 31.418 29.200 39.127 6 HG3 PCA 1 HG2 PGA 1 31.669 28.245 40.639 7 H ASP 2 H ASP 2 26.750 30.718 39.624 8 HA ASP 2 HA ASP 2 26.670 31.443 36.910 9 HB2 ASP 2 HB2 ASP 2 26.255 33.315 39.268 10 HB3 ASP 2 HB1 ASP 2 25.481 33.400 37.683 11 H ARG 3 H ARG 3 29.144 32.032 39.134 12 HA ARG 3 HA ARG 3 30.207 34.496 37.892 13 HB2 ARG 3 HB2 ARG 3 31.272 32.840 40.235 14 HB3 ARG 3 HB1 ARG 3 31.828 34.437 39.743 15 HG2 ARG 3 HG2 ARG 3 29.534 35.352 40.233 16 HG3 ARG 3 HG1 ARG 3 29.080 33.764 40.871 17 HD2 ARG 3 HD2 ARG 3 30.875 33.831 42.520 18 HD3 ARG 3 HD1 ARG 3 31.418 35.408 41.897 19 HE ARG 3 HE ARG 3 28.839 35.949 42.515 20 HH11 ARG 3 1HH1 ARG 3 31.428 34.553 44.367 21 HH12 ARG 3 2HH1 ARG 3 30.783 35.064 45.911 22 HH21 ARG 3 1HH2 ARG 3 27.933 36.448 44.605 23 HH22 ARG 3 2HH2 ARG 3 28.947 36.268 45.983 24 HA PRO 4 HA PRO 4 32.985 32.309 35.264 25 HB2 PRO 4 HB1 PRO 4 35.320 33.798 35.370 26 HB3 PRO 4 HB2 PRO 4 33.845 34.279 34.456 27 HG2 PRO 4 HG1 PRO 4 34.691 35.131 37.239 28 HG3 PRO 4 HG2 PRO 4 34.142 36.153 35.881 29 HD2 PRO 4 HD1 PRO 4 32.429 35.395 37.836 30 HD3 PRO 4 HD2 PRO 4 31.881 35.415 36.144 31 H LYS 5 H LYS 5 34.421 30.653 35.394 32 HA LYS 5 HA LYS 5 35.316 29.713 37.962 33 HB2 LYS 5 HB2 LYS 5 36.257 28.709 35.256 34 HB3 LYS 5 HB1 LYS 5 36.227 27.839 36.803 35 HG2 LYS 5 HG2 LYS 5 33.707 28.034 36.795 36 HG3 LYS 5 HG1 LYS 5 33.798 28.743 35.173 37 HD2 LYS 5 HD2 LYS 5 34.705 25.961 36.003 38 HD3 LYS 5 HD1 LYS 5 33.282 26.351 35.041 39 HE2 LYS 5 HE2 LYS 5 36.190 26.824 34.204 40 HE3 LYS 5 HE1 LYS 5 35.192 25.468 33.709 41 HZ1 LYS 5 HZ1 LYS 5 35.204 27.188 32.025 42 HZ2 LYS 5 HZ2 LYS 5 33.686 27.009 32.615 43 HZ3 LYS 5 HZ3 LYS 5 34.596 28.306 33.066 44 H PHE 6 H PHE 6 36.991 31.487 35.377 45 HA PHE 6 HA PHE 6 39.640 31.085 36.445 46 HB2 PHE 6 HB2 PHE 6 40.274 32.925 34.974 47 HB3 PHE 6 HB1 PHE 6 39.336 31.697 34.141 48 HD1 PHE 6 HD1 PHE 6 39.130 35.091 35.708 49 HD2 PHE 6 HD2 PHE 6 37.412 32.334 32.880 50 HE1 PHE 6 HE1 PHE 6 37.645 36.863 34.874 51 HE2 PHE 6 HE2 PHE 6 35.885 34.118 32.074 52 HZ PHE 6 HZ PHE 6 35.981 36.382 33.084 53 H CYS 7 H CYS 7 37.008 33.050 37.600 54 HA CYS 7 HA CYS 7 38.575 34.981 39.074 55 HB2 CYS 7 HB2 CYS 7 36.330 35.520 38.718 56 HB3 CYS 7 HB1 CYS 7 35.775 33.922 39.190 57 H TYR 8 H TYR 8 37.996 31.534 39.567 58 HA TYR 8 HA TYR 8 38.532 31.672 42.470 59 HB2 TYR 8 HB2 TYR 8 38.123 29.337 40.561 60 HB3 TYR 8 HB1 TYR 8 38.377 29.193 42.288 61 HD1 TYR 8 HD1 TYR 8 36.047 30.811 39.797 62 HD2 TYR 8 HD2 TYR 8 36.555 29.215 43.762 63 HE1 TYR 8 HE1 TYR 8 33.616 31.067 40.194 64 HE2 TYR 8 HE2 TYR 8 34.113 29.452 44.158 65 HH TYR 8 HH TYR 8 32.120 30.013 43.245 66 H LEU 9 H LEU 9 40.367 31.321 39.557 67 HA LEU 9 HA LEU 9 42.549 29.777 40.548 68 HB2 LEU 9 HB2 LEU 9 42.383 31.948 38.420 69 HB3 LEU 9 HB1 LEU 9 43.803 30.933 38.685 70 HG LEU 9 HG LEU 9 41.077 29.788 37.954 71 HD11 LEU 9 1HD1 LEU 9 41.891 29.650 35.666 72 HD12 LEU 9 2HD1 LEU 9 41.932 31.352 36.197 73 HD13 LEU 9 3HD1 LEU 9 43.432 30.405 36.124 74 HD21 LEU 9 1HD2 LEU 9 42.453 27.839 37.251 75 HD22 LEU 9 2HD2 LEU 9 43.909 28.656 37.825 76 HD23 LEU 9 3HD2 LEU 9 42.656 28.175 38.972 77 HA PRO 10 HA PRO 10 43.920 32.861 43.605 78 HB2 PRO 10 HB1 PRO 10 46.485 31.857 44.001 79 HB3 PRO 10 HB2 PRO 10 44.998 31.269 44.806 80 HG2 PRO 10 HG1 PRO 10 46.364 30.159 42.344 81 HG3 PRO 10 HG2 PRO 10 45.721 29.259 43.758 82 HD2 PRO 10 HD1 PRO 10 44.335 29.430 41.478 83 HD3 PRO 10 HD2 PRO 10 43.472 29.585 43.043 84 H ASP 11 H ASP 11 45.646 34.561 43.737 85 HA ASP 11 HA ASP 11 45.955 35.871 41.240 86 HB2 ASP 11 HB2 ASP 11 47.588 37.299 42.451 87 HB3 ASP 11 HB1 ASP 11 45.995 37.222 43.166 88 H ASP 12 H ASP 12 47.053 35.131 39.603 89 HA ASP 12 HA ASP 12 49.648 33.726 40.044 90 HB2 ASP 12 HB2 ASP 12 47.830 32.343 39.124 91 HB3 ASP 12 HB1 ASP 12 47.695 33.448 37.746 92 HA PRO 13 HA PRO 13 50.825 37.693 37.926 93 HB2 PRO 13 HB1 PRO 13 53.299 37.806 39.252 94 HB3 PRO 13 HB2 PRO 13 51.803 38.596 39.776 95 HG2 PRO 13 HG1 PRO 13 52.905 36.002 40.755 96 HG3 PRO 13 HG2 PRO 13 52.207 37.360 41.699 97 HD2 PRO 13 HD1 PRO 13 50.789 35.162 41.087 98 HD3 PRO 13 HD2 PRO 13 50.007 36.776 41.063 99 H GLY 14 H GLY 14 51.841 34.455 38.084 100 HA2 GLY 14 HA2 GLY 14 52.958 33.205 36.471 101 HA3 GLY 14 HA1 GLY 14 53.644 34.678 35.767 102 H VAL 15 H VAL 15 55.774 34.190 35.846 103 HA VAL 15 HA VAL 15 57.000 33.393 38.462 104 HB VAL 15 HB VAL 15 57.346 31.737 36.890 105 HG11 VAL 15 1HG1 VAL 15 58.403 32.045 34.682 106 HG12 VAL 15 2HG1 VAL 15 56.829 32.784 34.781 107 HG13 VAL 15 3HG1 VAL 15 58.305 33.798 34.864 108 HG21 VAL 15 1HG2 VAL 15 59.741 31.592 36.650 109 HG22 VAL 15 2HG2 VAL 15 59.935 33.340 36.789 110 HG23 VAL 15 3HG2 VAL 15 59.391 32.388 38.188 111 H CYS 16 H CYS 16 57.505 35.729 35.829 112 HA CYS 16 HA CYS 16 59.875 36.863 37.011 113 HB2 CYS 16 HB2 CYS 16 57.976 37.875 34.878 114 HB3 CYS 16 HB1 CYS 16 59.469 38.711 35.324 115 H LYS 17 H LYS 17 60.174 38.963 37.904 116 HA LYS 17 HA LYS 17 57.809 40.065 39.390 117 HB2 LYS 17 HB2 LYS 17 60.628 39.711 40.487 118 HB3 LYS 17 HB1 LYS 17 59.219 40.312 41.358 119 HG2 LYS 17 HG2 LYS 17 59.588 37.478 40.286 120 HG3 LYS 17 HG1 LYS 17 59.827 37.994 41.948 121 HD2 LYS 17 HD2 LYS 17 57.475 38.449 42.258 122 HD3 LYS 17 HD1 LYS 17 57.144 38.254 40.539 123 HE2 LYS 17 HE2 LYS 17 56.414 36.264 41.705 124 HE3 LYS 17 HE1 LYS 17 57.739 35.893 40.608 125 HZ1 LYS 17 HZ1 LYS 17 58.025 34.821 42.734 126 HZ2 LYS 17 HZ2 LYS 17 59.239 35.888 42.502 127 HZ3 LYS 17 HZ3 LYS 17 58.006 36.246 43.544 128 H ALA 18 H ALA 18 57.788 41.505 37.486 129 HA ALA 18 HA ALA 18 59.820 43.638 37.481 130 HB1 ALA 18 HB1 ALA 18 58.739 44.426 35.504 131 HB2 ALA 18 HB2 ALA 18 58.886 42.662 35.364 132 HB3 ALA 18 HB3 ALA 18 57.324 43.413 35.785 133 H HIS 19 H HIS 19 56.857 43.122 39.117 134 HA HIS 19 HA HIS 19 55.793 44.381 40.673 135 HB2 HIS 19 HB2 HIS 19 58.290 45.307 40.922 136 HB3 HIS 19 HB1 HIS 19 57.521 46.788 40.449 137 HD1 HIS 19 HD1 HIS 19 58.421 45.080 43.424 138 HD2 HIS 19 HD2 HIS 19 55.005 47.134 42.063 139 HE1 HIS 19 HE1 HIS 19 57.085 45.737 45.540 140 HE2 HIS 19 HE2 HIS 19 55.000 47.000 44.697 141 H ILE 20 H ILE 20 54.259 44.187 38.798 142 HA ILE 20 HA ILE 20 53.374 46.888 37.900 143 HB ILE 20 HB ILE 20 52.724 44.153 36.812 144 HG12 ILE 20 2HG1 ILE 20 54.745 46.242 36.056 145 HG13 ILE 20 1HG1 ILE 20 54.962 44.519 36.300 146 HG21 ILE 20 1HG2 ILE 20 51.592 45.353 35.000 147 HG22 ILE 20 2HG2 ILE 20 50.866 45.815 36.520 148 HG23 ILE 20 3HG2 ILE 20 52.010 46.910 35.733 149 HD11 ILE 20 HD1 ILE 20 55.207 44.991 33.977 150 HD12 ILE 20 HD2 ILE 20 53.670 44.130 34.140 151 HD13 ILE 20 HD3 ILE 20 53.684 45.888 33.908 152 HA PRO 21 HA PRO 21 50.092 46.416 41.010 153 HB2 PRO 21 HB1 PRO 21 48.867 48.659 39.406 154 HB3 PRO 21 HB2 PRO 21 49.059 48.506 41.170 155 HG2 PRO 21 HG1 PRO 21 50.698 50.118 39.725 156 HG3 PRO 21 HG2 PRO 21 51.359 49.094 41.050 157 HD2 PRO 21 HD1 PRO 21 51.401 48.555 38.072 158 HD3 PRO 21 HD2 PRO 21 52.715 48.379 39.276 159 H ARG 22 H ARG 22 48.796 44.668 40.692 160 HA ARG 22 HA ARG 22 46.917 44.628 38.387 161 HB2 ARG 22 HB2 ARG 22 49.210 43.066 38.442 162 HB3 ARG 22 HB1 ARG 22 48.103 42.041 39.311 163 HG2 ARG 22 HG2 ARG 22 47.716 41.295 37.162 164 HG3 ARG 22 HG1 ARG 22 46.493 42.548 37.227 165 HD2 ARG 22 HD2 ARG 22 49.221 42.610 35.892 166 HD3 ARG 22 HD1 ARG 22 47.641 42.715 35.135 167 HE ARG 22 HE ARG 22 48.540 44.890 36.991 168 HH11 ARG 22 1HH1 ARG 22 47.411 44.111 33.740 169 HH12 ARG 22 2HH1 ARG 22 47.353 45.809 33.335 170 HH21 ARG 22 1HH2 ARG 22 48.381 46.929 36.357 171 HH22 ARG 22 2HH2 ARG 22 47.855 47.339 34.743 172 H PHE 23 H PHE 23 45.125 43.102 38.791 173 HA PHE 23 HA PHE 23 44.481 42.761 41.693 174 HB2 PHE 23 HB2 PHE 23 42.922 44.127 39.486 175 HB3 PHE 23 HB1 PHE 23 42.112 43.470 40.898 176 HD1 PHE 23 HD1 PHE 23 42.094 44.713 42.932 177 HD2 PHE 23 HD2 PHE 23 44.762 45.865 39.753 178 HE1 PHE 23 HE1 PHE 23 42.705 46.789 44.172 179 HE2 PHE 23 HE2 PHE 23 45.352 47.912 40.993 180 HZ PHE 23 HZ PHE 23 44.309 48.395 43.186 181 H TYR 24 H TYR 24 43.307 41.046 42.272 182 HA TYR 24 HA TYR 24 42.156 39.274 40.199 183 HB2 TYR 24 HB2 TYR 24 43.685 37.658 40.474 184 HB3 TYR 24 HB1 TYR 24 44.583 38.638 41.587 185 HD1 TYR 24 HD1 TYR 24 43.699 38.659 44.033 186 HD2 TYR 24 HD2 TYR 24 43.008 35.574 41.183 187 HE1 TYR 24 HE1 TYR 24 43.158 37.060 45.908 188 HE2 TYR 24 HE2 TYR 24 42.222 34.049 42.984 189 HH TYR 24 HH TYR 24 42.146 33.713 45.185 190 H TYR 25 H TYR 25 40.355 38.131 40.901 191 HA TYR 25 HA TYR 25 39.120 39.268 43.349 192 HB2 TYR 25 HB2 TYR 25 37.917 39.096 41.102 193 HB3 TYR 25 HB1 TYR 25 37.778 37.380 41.437 194 HD1 TYR 25 HD1 TYR 25 36.680 40.746 42.285 195 HD2 TYR 25 HD2 TYR 25 36.470 36.636 43.505 196 HE1 TYR 25 HE1 TYR 25 34.717 41.280 43.737 197 HE2 TYR 25 HE2 TYR 25 34.527 37.161 44.968 198 HH TYR 25 HH TYR 25 33.617 39.685 46.143 199 H ASN 26 H ASN 26 38.926 38.173 45.260 200 HA ASN 26 HA ASN 26 39.684 35.299 45.301 201 HB2 ASN 26 HB2 ASN 26 41.011 36.863 46.644 202 HB3 ASN 26 HB1 ASN 26 39.587 37.295 47.565 203 HD21 ASN 26 1HD2 ASN 26 42.111 35.964 48.412 204 HD22 ASN 26 2HD2 ASN 26 41.542 34.498 49.183 205 HA PRO 27 HA PRO 27 35.095 35.164 45.664 206 HB2 PRO 27 HB1 PRO 27 34.798 32.505 44.915 207 HB3 PRO 27 HB2 PRO 27 34.833 33.897 43.796 208 HG2 PRO 27 HG1 PRO 27 37.074 32.021 44.531 209 HG3 PRO 27 HG2 PRO 27 36.622 32.679 42.920 210 HD2 PRO 27 HD1 PRO 27 38.664 33.711 44.385 211 HD3 PRO 27 HD2 PRO 27 37.615 34.755 43.390 212 H ALA 28 H ALA 28 37.524 32.948 47.043 213 HA ALA 28 HA ALA 28 35.825 31.670 48.953 214 HB1 ALA 28 HB1 ALA 28 37.929 31.048 50.033 215 HB2 ALA 28 HB2 ALA 28 38.082 30.855 48.270 216 HB3 ALA 28 HB3 ALA 28 38.823 32.247 49.091 217 H SER 29 H SER 29 37.462 34.831 48.999 218 HA SER 29 HA SER 29 36.234 35.390 51.673 219 HB2 SER 29 HB2 SER 29 37.732 37.244 51.811 220 HB3 SER 29 HB1 SER 29 38.664 35.814 51.341 221 HG SER 29 HG SER 29 39.310 37.214 49.874 222 H ASN 30 H ASN 30 35.371 35.686 48.499 223 HA ASN 30 HA ASN 30 34.091 36.982 47.219 224 HB2 ASN 30 HB2 ASN 30 32.381 36.252 48.764 225 HB3 ASN 30 HB1 ASN 30 32.754 37.553 49.886 226 HD21 ASN 30 1HD2 ASN 30 32.109 37.613 46.306 227 HD22 ASN 30 2HD2 ASN 30 30.835 38.797 46.539 228 H LYS 31 H LYS 31 36.619 38.213 48.279 229 HA LYS 31 HA LYS 31 35.944 41.062 47.631 230 HB2 LYS 31 HB2 LYS 31 37.366 40.000 50.049 231 HB3 LYS 31 HB1 LYS 31 38.126 41.352 49.240 232 HG2 LYS 31 HG2 LYS 31 36.785 42.376 50.842 233 HG3 LYS 31 HG1 LYS 31 35.940 42.612 49.323 234 HD2 LYS 31 HD2 LYS 31 34.281 42.112 50.939 235 HD3 LYS 31 HD1 LYS 31 34.446 40.633 49.997 236 HE2 LYS 31 HE2 LYS 31 36.086 39.824 51.804 237 HE3 LYS 31 HE1 LYS 31 35.578 41.229 52.758 238 HZ1 LYS 31 HZ1 LYS 31 34.249 39.357 53.380 239 HZ2 LYS 31 HZ2 LYS 31 33.234 40.300 52.467 240 HZ3 LYS 31 HZ3 LYS 31 33.966 38.953 51.825 241 H CYS 32 H CYS 32 37.508 42.227 46.516 242 HA CYS 32 HA CYS 32 39.436 40.582 44.960 243 HB2 CYS 32 HB2 CYS 32 37.866 42.064 43.743 244 HB3 CYS 32 HB1 CYS 32 38.546 43.457 44.591 245 H LYS 33 H LYS 33 41.662 41.092 44.907 246 HA LYS 33 HA LYS 33 42.638 43.176 46.788 247 HB2 LYS 33 HB2 LYS 33 44.220 41.853 47.854 248 HB3 LYS 33 HB1 LYS 33 42.800 40.809 47.835 249 HG2 LYS 33 HG2 LYS 33 43.743 39.719 45.780 250 HG3 LYS 33 HG1 LYS 33 45.222 40.673 45.974 251 HD2 LYS 33 HD2 LYS 33 45.531 39.621 48.242 252 HD3 LYS 33 HD1 LYS 33 44.119 38.615 47.902 253 HE2 LYS 33 HE2 LYS 33 45.978 37.237 47.341 254 HE3 LYS 33 HE1 LYS 33 45.320 37.760 45.810 255 HZ1 LYS 33 HZ1 LYS 33 47.685 37.877 45.827 256 HZ2 LYS 33 HZ2 LYS 33 47.118 39.417 45.695 257 HZ3 LYS 33 HZ3 LYS 33 47.731 38.865 47.134 258 H GLU 34 H GLU 34 44.772 43.944 46.297 259 HA GLU 34 HA GLU 34 45.436 43.765 43.430 260 HB2 GLU 34 HB2 GLU 34 46.902 45.621 43.787 261 HB3 GLU 34 HB1 GLU 34 45.272 45.954 44.387 262 HG2 GLU 34 HG2 GLU 34 46.097 45.393 46.729 263 HG3 GLU 34 HG1 GLU 34 47.736 45.379 46.057 264 H PHE 35 H PHE 35 47.325 42.916 42.677 265 HA PHE 35 HA PHE 35 49.244 41.712 44.562 266 HB2 PHE 35 HB2 PHE 35 49.311 39.615 43.559 267 HB3 PHE 35 HB1 PHE 35 47.594 39.937 43.744 268 HD1 PHE 35 HD1 PHE 35 46.160 40.041 41.793 269 HD2 PHE 35 HD2 PHE 35 50.416 39.781 41.345 270 HE1 PHE 35 HE1 PHE 35 45.868 39.392 39.388 271 HE2 PHE 35 HE2 PHE 35 50.121 39.402 38.908 272 HZ PHE 35 HZ PHE 35 47.893 39.086 37.978 273 H ILE 36 H ILE 36 51.326 41.268 43.517 274 HA ILE 36 HA ILE 36 51.972 43.395 41.554 275 HB ILE 36 HB ILE 36 53.503 41.910 43.660 276 HG12 ILE 36 2HG1 ILE 36 54.541 44.143 43.921 277 HG13 ILE 36 1HG1 ILE 36 53.542 44.773 42.591 278 HG21 ILE 36 1HG2 ILE 36 55.674 42.784 42.530 279 HG22 ILE 36 2HG2 ILE 36 54.975 41.263 41.982 280 HG23 ILE 36 3HG2 ILE 36 54.723 42.722 41.027 281 HD11 ILE 36 HD1 ILE 36 52.708 45.362 44.865 282 HD12 ILE 36 HD2 ILE 36 51.518 44.408 43.966 283 HD13 ILE 36 HD3 ILE 36 52.507 43.638 45.237 284 H TYR 37 H TYR 37 51.864 42.894 39.509 285 HA TYR 37 HA TYR 37 52.459 40.177 38.528 286 HB2 TYR 37 HB2 TYR 37 50.478 41.259 37.742 287 HB3 TYR 37 HB1 TYR 37 51.353 42.650 37.209 288 HD1 TYR 37 HD1 TYR 37 50.468 39.151 36.505 289 HD2 TYR 37 HD2 TYR 37 52.735 42.552 35.162 290 HE1 TYR 37 HE1 TYR 37 50.916 38.019 34.334 291 HE2 TYR 37 HE2 TYR 37 53.056 41.483 32.953 292 HH TYR 37 HH TYR 37 52.564 39.634 31.638 293 H GLY 38 H GLY 38 53.884 39.830 36.715 294 HA2 GLY 38 HA2 GLY 38 56.306 41.587 36.784 295 HA3 GLY 38 HA1 GLY 38 56.367 39.844 36.549 296 H GLY 39 H GLY 39 55.798 38.983 34.572 297 HA2 GLY 39 HA2 GLY 39 54.886 40.345 32.269 298 HA3 GLY 39 HA1 GLY 39 56.640 40.574 32.333 299 H CYS 40 H CYS 40 55.257 37.576 33.571 300 HA CYS 40 HA CYS 40 56.060 36.057 31.191 301 HB2 CYS 40 HB2 CYS 40 57.389 35.609 33.880 302 HB3 CYS 40 HB1 CYS 40 57.693 34.704 32.401 303 H GLY 41 H GLY 41 53.573 36.005 31.608 304 HA2 GLY 41 HA2 GLY 41 52.358 33.749 32.018 305 HA3 GLY 41 HA1 GLY 41 52.793 34.021 33.702 306 H GLY 42 H GLY 42 50.759 34.383 34.571 307 HA2 GLY 42 HA2 GLY 42 49.193 36.146 35.195 308 HA3 GLY 42 HA1 GLY 42 49.274 36.784 33.562 309 H ASN 43 H ASN 43 47.445 34.960 35.639 310 HA ASN 43 HA ASN 43 46.138 33.360 33.546 311 HB2 ASN 43 HB2 ASN 43 44.707 32.557 35.297 312 HB3 ASN 43 HB1 ASN 43 46.368 32.540 35.878 313 HD21 ASN 43 1HD2 ASN 43 44.704 32.352 37.852 314 HD22 ASN 43 2HD2 ASN 43 44.507 33.871 38.672 315 H ALA 44 H ALA 44 43.609 33.586 33.528 316 HA ALA 44 HA ALA 44 42.940 36.213 32.522 317 HB1 ALA 44 HB1 ALA 44 40.706 35.191 32.177 318 HB2 ALA 44 HB2 ALA 44 42.014 34.173 31.564 319 HB3 ALA 44 HB3 ALA 44 41.212 33.767 33.096 320 H ASN 45 H ASN 45 43.554 35.760 35.623 321 HA ASN 45 HA ASN 45 41.190 37.230 36.656 322 HB2 ASN 45 HB2 ASN 45 41.857 34.883 37.620 323 HB3 ASN 45 HB1 ASN 45 43.152 35.754 38.415 324 HD21 ASN 45 1HD2 ASN 45 41.412 34.465 39.962 325 HD22 ASN 45 2HD2 ASN 45 40.355 35.580 40.798 326 H ASN 46 H ASN 46 43.230 38.443 35.096 327 HA ASN 46 HA ASN 46 44.732 40.049 37.109 328 HB2 ASN 46 HB2 ASN 46 45.346 39.320 34.223 329 HB3 ASN 46 HB1 ASN 46 46.202 40.580 35.112 330 HD21 ASN 46 1HD2 ASN 46 48.089 39.062 34.544 331 HD22 ASN 46 2HD2 ASN 46 48.361 37.814 35.769 332 H PHE 47 H PHE 47 43.883 41.917 37.480 333 HA PHE 47 HA PHE 47 42.597 43.557 35.326 334 HB2 PHE 47 HB2 PHE 47 41.799 42.909 38.181 335 HB3 PHE 47 HB1 PHE 47 41.169 44.295 37.336 336 HD1 PHE 47 HD1 PHE 47 39.764 43.868 35.210 337 HD2 PHE 47 HD2 PHE 47 41.206 40.646 37.674 338 HE1 PHE 47 HE1 PHE 47 38.195 42.339 34.094 339 HE2 PHE 47 HE2 PHE 47 39.732 39.075 36.454 340 HZ PHE 47 HZ PHE 47 38.243 39.921 34.644 341 H GLU 48 H GLU 48 42.511 45.912 35.835 342 HA GLU 48 HA GLU 48 45.065 46.834 37.059 343 HB2 GLU 48 HB2 GLU 48 43.018 48.351 35.415 344 HB3 GLU 48 HB1 GLU 48 44.613 48.905 35.928 345 HG2 GLU 48 HG2 GLU 48 45.584 46.880 34.723 346 HG3 GLU 48 HG1 GLU 48 43.995 46.615 34.018 347 H THR 49 H THR 49 41.653 46.910 37.765 348 HA THR 49 HA THR 49 42.273 48.145 40.394 349 HB THR 49 HB THR 49 40.366 49.658 40.229 350 HG1 THR 49 HG1 THR 49 40.261 48.904 37.495 351 HG21 THR 49 1HG2 THR 49 41.243 51.385 38.853 352 HG22 THR 49 2HG2 THR 49 42.597 50.545 39.643 353 HG23 THR 49 3HG2 THR 49 42.225 50.241 37.923 354 H ARG 50 H ARG 50 40.305 48.229 41.799 355 HA ARG 50 HA ARG 50 39.026 45.643 42.008 356 HB2 ARG 50 HB2 ARG 50 38.293 48.225 43.432 357 HB3 ARG 50 HB1 ARG 50 37.798 46.597 43.897 358 HG2 ARG 50 HG2 ARG 50 40.181 45.966 44.271 359 HG3 ARG 50 HG1 ARG 50 40.653 47.635 43.875 360 HD2 ARG 50 HD2 ARG 50 38.860 46.821 46.177 361 HD3 ARG 50 HD1 ARG 50 40.575 47.271 46.297 362 HE ARG 50 HE ARG 50 39.734 49.490 45.164 363 HH11 ARG 50 1HH1 ARG 50 38.394 47.860 47.907 364 HH12 ARG 50 2HH1 ARG 50 37.585 49.279 48.504 365 HH21 ARG 50 1HH2 ARG 50 38.701 51.293 45.956 366 HH22 ARG 50 2HH2 ARG 50 37.769 51.189 47.409 367 H ALA 51 H ALA 51 38.116 48.428 40.126 368 HA ALA 51 HA ALA 51 35.230 48.162 40.432 369 HB1 ALA 51 HB1 ALA 51 35.200 49.832 38.586 370 HB2 ALA 51 HB2 ALA 51 36.279 50.321 39.903 371 HB3 ALA 51 HB3 ALA 51 36.950 49.659 38.402 372 H GLU 52 H GLU 52 37.451 47.556 37.703 373 HA GLU 52 HA GLU 52 35.753 45.887 36.140 374 HB2 GLU 52 HB2 GLU 52 37.886 45.301 35.038 375 HB3 GLU 52 HB1 GLU 52 37.656 47.047 35.244 376 HG2 GLU 52 HG2 GLU 52 39.036 46.835 37.423 377 HG3 GLU 52 HG1 GLU 52 39.406 45.225 36.914 378 H CYS 53 H CYS 53 38.343 44.974 38.510 379 HA CYS 53 HA CYS 53 38.012 42.229 38.532 380 HB2 CYS 53 HB2 CYS 53 39.744 43.525 39.708 381 HB3 CYS 53 HB1 CYS 53 38.529 44.055 40.870 382 H ARG 54 H ARG 54 35.897 44.628 40.082 383 HA ARG 54 HA ARG 54 34.263 42.686 41.510 384 HB2 ARG 54 HB2 ARG 54 34.344 44.999 42.249 385 HB3 ARG 54 HB1 ARG 54 33.758 45.580 40.691 386 HG2 ARG 54 HG2 ARG 54 31.602 44.341 41.063 387 HG3 ARG 54 HG1 ARG 54 32.177 43.941 42.690 388 HD2 ARG 54 HD2 ARG 54 31.750 46.712 41.515 389 HD3 ARG 54 HD1 ARG 54 30.700 45.898 42.686 390 HE ARG 54 HE ARG 54 33.328 46.007 43.759 391 HH11 ARG 54 1HH1 ARG 54 30.841 48.317 42.907 392 HH12 ARG 54 2HH1 ARG 54 31.347 49.465 44.108 393 HH21 ARG 54 1HH2 ARG 54 33.922 47.515 45.303 394 HH22 ARG 54 2HH2 ARG 54 33.040 49.012 45.425 395 H HIS 55 H HIS 55 33.915 44.343 38.314 396 HA HIS 55 HA HIS 55 31.402 43.044 37.687 397 HB2 HIS 55 HB2 HIS 55 32.344 45.060 36.492 398 HB3 HIS 55 HB1 HIS 55 33.557 44.014 35.764 399 HD1 HIS 55 HD1 HIS 55 29.941 45.017 35.360 400 HD2 HIS 55 HD2 HIS 55 32.672 42.148 33.926 401 HE1 HIS 55 HE1 HIS 55 28.854 43.964 33.255 402 HE2 HIS 55 HE2 HIS 55 30.553 42.228 32.398 403 H THR 56 H THR 56 34.756 41.882 37.506 404 HA THR 56 HA THR 56 34.451 39.638 35.933 405 HB THR 56 HB THR 56 36.031 39.575 38.543 406 HG1 THR 56 HG1 THR 56 37.592 40.597 36.888 407 HG21 THR 56 1HG2 THR 56 37.636 38.347 37.186 408 HG22 THR 56 2HG2 THR 56 36.065 37.555 37.077 409 HG23 THR 56 3HG2 THR 56 36.607 38.587 35.737 410 H CYS 57 H CYS 57 34.234 39.493 39.518 411 HA CYS 57 HA CYS 57 32.762 36.938 39.225 412 HB2 CYS 57 HB2 CYS 57 34.937 37.718 40.740 413 HB3 CYS 57 HB1 CYS 57 33.622 37.759 41.910 414 H VAL 58 H VAL 58 32.228 40.215 40.355 415 HA VAL 58 HA VAL 58 29.660 39.479 41.653 416 HB VAL 58 HB VAL 58 30.835 42.268 41.587 417 HG11 VAL 58 1HG1 VAL 58 29.488 42.545 43.615 418 HG12 VAL 58 2HG1 VAL 58 28.470 42.015 42.262 419 HG13 VAL 58 3HG1 VAL 58 28.952 40.844 43.518 420 HG21 VAL 58 1HG2 VAL 58 31.744 41.795 43.873 421 HG22 VAL 58 2HG2 VAL 58 31.398 40.080 43.606 422 HG23 VAL 58 3HG2 VAL 58 32.590 40.922 42.593 423 H ALA 59 H ALA 59 29.223 38.783 39.341 424 HA ALA 59 HA ALA 59 27.543 40.887 38.123 425 HB1 ALA 59 HB1 ALA 59 28.275 40.099 35.835 426 HB2 ALA 59 HB2 ALA 59 29.513 40.973 36.747 427 HB3 ALA 59 HB3 ALA 59 29.589 39.200 36.614 428 H SER 60 H SER 60 25.912 39.937 36.679 429 HA SER 60 HA SER 60 24.024 38.660 36.536 430 HB2 SER 60 HB2 SER 60 25.676 37.352 35.213 431 HB3 SER 60 HB1 SER 60 25.931 36.306 36.626 432 HG SER 60 HG SER 60 24.273 35.340 35.671 433 H ARG 61 H ARG 61 23.314 39.356 38.596 434 HA ARG 61 HA ARG 61 22.375 39.115 40.680 435 HB2 ARG 61 HB2 ARG 61 22.652 36.117 40.305 436 HB3 ARG 61 HB1 ARG 61 21.613 36.943 41.445 437 HG2 ARG 61 HG2 ARG 61 20.170 37.769 39.708 438 HG3 ARG 61 HG1 ARG 61 21.314 37.341 38.431 439 HD2 ARG 61 HD2 ARG 61 19.522 35.743 38.435 440 HD3 ARG 61 HD1 ARG 61 21.046 34.968 38.884 441 HE ARG 61 HE ARG 61 19.551 35.779 41.231 442 HH11 ARG 61 1HH1 ARG 61 19.640 33.272 38.780 443 HH12 ARG 61 2HH1 ARG 61 18.785 32.134 39.763 444 HH21 ARG 61 1HH2 ARG 61 18.532 34.215 42.509 445 HH22 ARG 61 2HH2 ARG 61 18.192 32.657 41.810 446 H LYS 62 H LYS 62 22.799 38.451 42.971 447 HA LYS 62 HA LYS 62 25.722 38.661 43.448 448 HB2 LYS 62 HB2 LYS 62 23.342 38.966 45.320 449 HB3 LYS 62 HB1 LYS 62 25.015 38.939 45.852 450 HG2 LYS 62 HG2 LYS 62 24.453 41.218 45.695 451 HG3 LYS 62 HG1 LYS 62 25.532 40.881 44.344 452 HD2 LYS 62 HD2 LYS 62 23.593 40.876 42.796 453 HD3 LYS 62 HD1 LYS 62 22.480 41.085 44.177 454 HE2 LYS 62 HE2 LYS 62 23.614 43.258 44.674 455 HE3 LYS 62 HE1 LYS 62 24.648 43.030 43.259 456 HZ1 LYS 62 HZ1 LYS 62 22.737 44.442 42.755 457 HZ2 LYS 62 HZ2 LYS 62 22.631 43.069 41.868 458 HZ3 LYS 62 HZ3 LYS 62 21.691 43.284 43.207 459 H GLY 63 H GLY 63 23.681 36.155 42.945 460 HA2 GLY 63 HA2 GLY 63 24.090 33.848 43.153 461 HA3 GLY 63 HA1 GLY 63 25.342 34.163 44.351 462 H GLY 64 H GLY 64 24.152 32.350 45.380 463 HA2 GLY 64 HA2 GLY 64 22.104 33.369 47.285 464 HA3 GLY 64 HA1 GLY 64 21.880 31.818 46.473 465 HA PRO 65 HA PRO 65 24.318 31.308 50.474 466 HB2 PRO 65 HB1 PRO 65 22.592 29.687 51.844 467 HB3 PRO 65 HB2 PRO 65 22.407 31.460 51.772 468 HG2 PRO 65 HG1 PRO 65 21.022 29.385 50.029 469 HG3 PRO 65 HG2 PRO 65 20.274 30.724 50.960 470 HD2 PRO 65 HD1 PRO 65 20.853 30.988 48.326 471 HD3 PRO 65 HD2 PRO 65 21.087 32.360 49.450 472 H ARG 66 H ARG 66 25.660 30.263 48.832 473 HA ARG 66 HA ARG 66 27.038 28.544 48.178 474 HB2 ARG 66 HB2 ARG 66 25.539 26.682 50.072 475 HB3 ARG 66 HB1 ARG 66 27.098 26.399 49.308 476 HG2 ARG 66 HG2 ARG 66 28.118 28.169 50.652 477 HG3 ARG 66 HG1 ARG 66 26.543 28.572 51.385 478 HD2 ARG 66 HD2 ARG 66 26.341 26.332 52.342 479 HD3 ARG 66 HD1 ARG 66 27.838 25.829 51.535 480 HE ARG 66 HE ARG 66 28.132 28.125 53.337 481 HH11 ARG 66 1HH1 ARG 66 28.175 24.623 53.244 482 HH12 ARG 66 2HH1 ARG 66 29.209 24.493 54.633 483 HH21 ARG 66 1HH2 ARG 66 29.452 27.892 55.143 484 HH22 ARG 66 2HH2 ARG 66 29.895 26.297 55.679 485 H ARG 67 H ARG 67 23.879 26.914 48.629 486 HA ARG 67 HA ARG 67 23.921 26.156 45.762 487 HB2 ARG 67 HB2 ARG 67 23.180 24.383 48.128 488 HB3 ARG 67 HB1 ARG 67 22.792 23.970 46.467 489 HG2 ARG 67 HG2 ARG 67 25.663 24.414 47.421 490 HG3 ARG 67 HG1 ARG 67 24.840 22.869 47.497 491 HD2 ARG 67 HD2 ARG 67 26.210 22.902 45.518 492 HD3 ARG 67 HD1 ARG 67 24.501 22.870 45.075 493 HE ARG 67 HE ARG 67 25.795 25.538 45.177 494 HH11 ARG 67 1HH1 ARG 67 24.810 22.903 43.079 495 HH12 ARG 67 2HH1 ARG 67 24.705 23.916 41.674 496 HH21 ARG 67 1HH2 ARG 67 25.605 26.791 43.365 497 HH22 ARG 67 2HH2 ARG 67 25.145 26.080 41.843 498 HA PRO 68 HA PRO 68 19.923 27.949 45.833 499 HB2 PRO 68 HB1 PRO 68 18.860 27.014 43.518 500 HB3 PRO 68 HB2 PRO 68 20.252 28.139 43.526 501 HG2 PRO 68 HG1 PRO 68 20.295 25.116 43.219 502 HG3 PRO 68 HG2 PRO 68 21.170 26.344 42.256 503 HD2 PRO 68 HD1 PRO 68 22.304 24.976 44.360 504 HD3 PRO 68 HD2 PRO 68 22.768 26.655 43.913 Start of MODEL 19 1 H PCA 1 H PGA 1 28.389 27.426 39.301 2 HA PCA 1 HA PGA 1 28.305 29.665 40.505 3 HB2 PCA 1 HB1 PGA 1 30.566 31.017 39.682 4 HB3 PCA 1 HB2 PGA 1 30.542 29.888 41.079 5 HG2 PCA 1 HG1 PGA 1 31.544 29.379 38.281 6 HG3 PCA 1 HG2 PGA 1 32.176 28.758 39.843 7 H ASP 2 H ASP 2 27.117 31.321 39.612 8 HA ASP 2 HA ASP 2 26.481 31.554 36.844 9 HB2 ASP 2 HB2 ASP 2 25.094 32.372 38.728 10 HB3 ASP 2 HB1 ASP 2 26.333 33.559 39.139 11 H ARG 3 H ARG 3 29.188 32.671 38.579 12 HA ARG 3 HA ARG 3 29.988 34.715 36.564 13 HB2 ARG 3 HB2 ARG 3 31.205 34.298 39.322 14 HB3 ARG 3 HB1 ARG 3 31.313 35.722 38.294 15 HG2 ARG 3 HG2 ARG 3 28.872 34.792 39.813 16 HG3 ARG 3 HG1 ARG 3 29.837 36.210 40.128 17 HD2 ARG 3 HD2 ARG 3 28.076 35.707 37.739 18 HD3 ARG 3 HD1 ARG 3 27.750 36.818 39.048 19 HE ARG 3 HE ARG 3 29.860 38.061 38.219 20 HH11 ARG 3 1HH1 ARG 3 27.464 36.498 36.205 21 HH12 ARG 3 2HH1 ARG 3 27.868 37.425 34.799 22 HH21 ARG 3 1HH2 ARG 3 30.355 39.281 36.412 23 HH22 ARG 3 2HH2 ARG 3 29.534 38.965 34.916 24 HA PRO 4 HA PRO 4 33.043 32.180 34.957 25 HB2 PRO 4 HB1 PRO 4 35.476 33.402 34.915 26 HB3 PRO 4 HB2 PRO 4 34.085 33.947 33.928 27 HG2 PRO 4 HG1 PRO 4 35.119 35.069 36.524 28 HG3 PRO 4 HG2 PRO 4 34.522 35.952 35.090 29 HD2 PRO 4 HD1 PRO 4 33.059 35.426 37.351 30 HD3 PRO 4 HD2 PRO 4 32.296 35.687 35.749 31 H LYS 5 H LYS 5 34.128 30.409 35.476 32 HA LYS 5 HA LYS 5 34.977 29.803 38.139 33 HB2 LYS 5 HB2 LYS 5 35.866 27.690 37.073 34 HB3 LYS 5 HB1 LYS 5 34.143 28.031 36.935 35 HG2 LYS 5 HG2 LYS 5 34.449 28.834 34.624 36 HG3 LYS 5 HG1 LYS 5 36.194 28.534 34.733 37 HD2 LYS 5 HD2 LYS 5 35.838 26.159 34.962 38 HD3 LYS 5 HD1 LYS 5 34.097 26.355 35.166 39 HE2 LYS 5 HE2 LYS 5 35.645 27.106 32.635 40 HE3 LYS 5 HE1 LYS 5 34.813 25.565 32.879 41 HZ1 LYS 5 HZ1 LYS 5 33.399 27.078 31.677 42 HZ2 LYS 5 HZ2 LYS 5 32.726 26.774 33.131 43 HZ3 LYS 5 HZ3 LYS 5 33.469 28.215 32.864 44 H PHE 6 H PHE 6 36.867 31.120 35.456 45 HA PHE 6 HA PHE 6 39.430 30.519 36.620 46 HB2 PHE 6 HB2 PHE 6 40.310 32.252 35.204 47 HB3 PHE 6 HB1 PHE 6 39.246 31.196 34.298 48 HD1 PHE 6 HD1 PHE 6 39.258 34.494 36.141 49 HD2 PHE 6 HD2 PHE 6 37.722 32.235 32.807 50 HE1 PHE 6 HE1 PHE 6 38.046 36.461 35.372 51 HE2 PHE 6 HE2 PHE 6 36.532 34.261 31.998 52 HZ PHE 6 HZ PHE 6 36.663 36.380 33.304 53 H CYS 7 H CYS 7 36.921 32.682 37.658 54 HA CYS 7 HA CYS 7 38.503 34.504 39.158 55 HB2 CYS 7 HB2 CYS 7 36.147 34.873 38.629 56 HB3 CYS 7 HB1 CYS 7 35.709 33.491 39.660 57 H TYR 8 H TYR 8 37.703 31.157 39.721 58 HA TYR 8 HA TYR 8 38.398 31.245 42.567 59 HB2 TYR 8 HB2 TYR 8 37.623 28.982 40.692 60 HB3 TYR 8 HB1 TYR 8 37.970 28.785 42.404 61 HD1 TYR 8 HD1 TYR 8 35.662 30.596 40.042 62 HD2 TYR 8 HD2 TYR 8 36.322 29.121 44.032 63 HE1 TYR 8 HE1 TYR 8 33.304 31.152 40.632 64 HE2 TYR 8 HE2 TYR 8 33.964 29.656 44.621 65 HH TYR 8 HH TYR 8 31.983 30.459 43.873 66 H LEU 9 H LEU 9 40.336 31.583 40.001 67 HA LEU 9 HA LEU 9 42.473 29.751 40.903 68 HB2 LEU 9 HB2 LEU 9 42.336 31.708 38.594 69 HB3 LEU 9 HB1 LEU 9 43.684 30.653 38.945 70 HG LEU 9 HG LEU 9 40.874 29.614 38.325 71 HD11 LEU 9 1HD1 LEU 9 41.700 29.145 36.089 72 HD12 LEU 9 2HD1 LEU 9 41.845 30.889 36.420 73 HD13 LEU 9 3HD1 LEU 9 43.277 29.850 36.484 74 HD21 LEU 9 1HD2 LEU 9 42.094 27.498 37.875 75 HD22 LEU 9 2HD2 LEU 9 43.605 28.256 38.406 76 HD23 LEU 9 3HD2 LEU 9 42.276 28.002 39.558 77 HA PRO 10 HA PRO 10 43.873 33.102 43.673 78 HB2 PRO 10 HB1 PRO 10 46.360 31.420 43.377 79 HB3 PRO 10 HB2 PRO 10 45.703 32.207 44.845 80 HG2 PRO 10 HG1 PRO 10 45.275 29.574 44.444 81 HG3 PRO 10 HG2 PRO 10 43.914 30.611 44.984 82 HD2 PRO 10 HD1 PRO 10 44.543 29.635 42.185 83 HD3 PRO 10 HD2 PRO 10 42.971 29.689 43.040 84 H ASP 11 H ASP 11 45.688 34.749 43.624 85 HA ASP 11 HA ASP 11 45.900 35.899 41.034 86 HB2 ASP 11 HB2 ASP 11 47.531 37.414 42.080 87 HB3 ASP 11 HB1 ASP 11 46.026 37.307 42.971 88 H ASP 12 H ASP 12 47.247 35.526 39.412 89 HA ASP 12 HA ASP 12 49.707 33.885 39.885 90 HB2 ASP 12 HB2 ASP 12 47.856 32.593 38.845 91 HB3 ASP 12 HB1 ASP 12 47.878 33.733 37.497 92 HA PRO 13 HA PRO 13 51.039 37.877 37.896 93 HB2 PRO 13 HB1 PRO 13 53.327 38.084 39.495 94 HB3 PRO 13 HB2 PRO 13 51.732 38.791 39.858 95 HG2 PRO 13 HG1 PRO 13 52.836 36.219 40.921 96 HG3 PRO 13 HG2 PRO 13 52.050 37.558 41.814 97 HD2 PRO 13 HD1 PRO 13 50.660 35.376 41.090 98 HD3 PRO 13 HD2 PRO 13 49.915 37.000 40.969 99 H GLY 14 H GLY 14 52.064 34.684 38.234 100 HA2 GLY 14 HA2 GLY 14 53.308 33.393 36.761 101 HA3 GLY 14 HA1 GLY 14 54.022 34.848 36.063 102 H VAL 15 H VAL 15 56.090 33.946 36.226 103 HA VAL 15 HA VAL 15 57.259 33.658 38.959 104 HB VAL 15 HB VAL 15 58.839 32.092 37.948 105 HG11 VAL 15 1HG1 VAL 15 57.302 30.247 37.602 106 HG12 VAL 15 2HG1 VAL 15 56.686 31.291 38.898 107 HG13 VAL 15 3HG1 VAL 15 55.953 31.352 37.280 108 HG21 VAL 15 1HG2 VAL 15 58.543 31.260 35.673 109 HG22 VAL 15 2HG2 VAL 15 57.213 32.385 35.372 110 HG23 VAL 15 3HG2 VAL 15 58.877 32.987 35.623 111 H CYS 16 H CYS 16 57.135 36.091 37.064 112 HA CYS 16 HA CYS 16 59.997 36.633 36.542 113 HB2 CYS 16 HB2 CYS 16 57.379 37.790 35.749 114 HB3 CYS 16 HB1 CYS 16 58.669 38.954 35.933 115 H LYS 17 H LYS 17 60.869 38.707 37.214 116 HA LYS 17 HA LYS 17 60.207 39.404 40.035 117 HB2 LYS 17 HB2 LYS 17 62.615 40.009 40.211 118 HB3 LYS 17 HB1 LYS 17 62.290 38.327 39.881 119 HG2 LYS 17 HG2 LYS 17 64.198 39.054 38.600 120 HG3 LYS 17 HG1 LYS 17 62.897 38.617 37.503 121 HD2 LYS 17 HD2 LYS 17 62.388 41.036 37.151 122 HD3 LYS 17 HD1 LYS 17 63.698 41.453 38.289 123 HE2 LYS 17 HE2 LYS 17 65.305 40.250 36.782 124 HE3 LYS 17 HE1 LYS 17 63.975 39.922 35.662 125 HZ1 LYS 17 HZ1 LYS 17 65.211 41.894 34.991 126 HZ2 LYS 17 HZ2 LYS 17 63.691 42.341 35.422 127 HZ3 LYS 17 HZ3 LYS 17 64.945 42.618 36.449 128 H ALA 18 H ALA 18 58.894 40.709 37.749 129 HA ALA 18 HA ALA 18 60.049 43.462 37.813 130 HB1 ALA 18 HB1 ALA 18 58.671 43.954 35.927 131 HB2 ALA 18 HB2 ALA 18 59.397 42.364 35.616 132 HB3 ALA 18 HB3 ALA 18 57.719 42.495 36.174 133 H HIS 19 H HIS 19 57.533 44.835 37.431 134 HA HIS 19 HA HIS 19 55.916 44.241 39.756 135 HB2 HIS 19 HB2 HIS 19 57.940 45.411 40.706 136 HB3 HIS 19 HB1 HIS 19 57.535 46.830 39.754 137 HD1 HIS 19 HD1 HIS 19 57.367 45.890 43.114 138 HD2 HIS 19 HD2 HIS 19 54.575 47.470 40.383 139 HE1 HIS 19 HE1 HIS 19 55.575 47.104 44.532 140 HE2 HIS 19 HE2 HIS 19 53.849 48.022 42.843 141 H ILE 20 H ILE 20 54.062 44.276 38.545 142 HA ILE 20 HA ILE 20 53.249 46.966 37.484 143 HB ILE 20 HB ILE 20 52.444 44.275 36.385 144 HG12 ILE 20 2HG1 ILE 20 54.543 46.247 35.474 145 HG13 ILE 20 1HG1 ILE 20 54.734 44.541 35.850 146 HG21 ILE 20 1HG2 ILE 20 51.355 45.557 34.631 147 HG22 ILE 20 2HG2 ILE 20 50.733 46.095 36.185 148 HG23 ILE 20 3HG2 ILE 20 51.942 47.084 35.337 149 HD11 ILE 20 HD1 ILE 20 54.858 44.735 33.500 150 HD12 ILE 20 HD2 ILE 20 53.267 44.041 33.814 151 HD13 ILE 20 HD3 ILE 20 53.427 45.764 33.415 152 HA PRO 21 HA PRO 21 50.280 46.347 40.855 153 HB2 PRO 21 HB1 PRO 21 49.002 48.809 39.645 154 HB3 PRO 21 HB2 PRO 21 49.409 48.461 41.352 155 HG2 PRO 21 HG1 PRO 21 50.943 50.138 39.848 156 HG3 PRO 21 HG2 PRO 21 51.703 48.969 40.974 157 HD2 PRO 21 HD1 PRO 21 51.324 48.708 37.986 158 HD3 PRO 21 HD2 PRO 21 52.776 48.372 38.982 159 H ARG 22 H ARG 22 48.926 44.651 40.475 160 HA ARG 22 HA ARG 22 46.711 44.897 38.473 161 HB2 ARG 22 HB2 ARG 22 48.276 42.428 39.337 162 HB3 ARG 22 HB1 ARG 22 46.788 42.375 38.405 163 HG2 ARG 22 HG2 ARG 22 49.434 43.472 37.464 164 HG3 ARG 22 HG1 ARG 22 48.616 41.971 36.987 165 HD2 ARG 22 HD2 ARG 22 48.200 43.257 35.185 166 HD3 ARG 22 HD1 ARG 22 46.715 43.502 36.121 167 HE ARG 22 HE ARG 22 48.319 45.553 36.978 168 HH11 ARG 22 1HH1 ARG 22 47.124 44.695 33.810 169 HH12 ARG 22 2HH1 ARG 22 47.150 46.347 33.286 170 HH21 ARG 22 1HH2 ARG 22 48.377 47.532 36.240 171 HH22 ARG 22 2HH2 ARG 22 47.949 47.911 34.582 172 H PHE 23 H PHE 23 44.983 43.347 39.024 173 HA PHE 23 HA PHE 23 44.510 43.014 41.941 174 HB2 PHE 23 HB2 PHE 23 42.723 44.437 39.931 175 HB3 PHE 23 HB1 PHE 23 42.078 43.703 41.393 176 HD1 PHE 23 HD1 PHE 23 42.147 44.883 43.451 177 HD2 PHE 23 HD2 PHE 23 44.634 46.187 40.196 178 HE1 PHE 23 HE1 PHE 23 42.750 46.938 44.710 179 HE2 PHE 23 HE2 PHE 23 45.199 48.242 41.424 180 HZ PHE 23 HZ PHE 23 44.241 48.632 43.695 181 H TYR 24 H TYR 24 43.134 41.301 42.441 182 HA TYR 24 HA TYR 24 42.027 39.666 40.250 183 HB2 TYR 24 HB2 TYR 24 43.526 38.046 40.297 184 HB3 TYR 24 HB1 TYR 24 44.487 38.916 41.451 185 HD1 TYR 24 HD1 TYR 24 43.827 38.737 43.915 186 HD2 TYR 24 HD2 TYR 24 42.753 35.910 40.893 187 HE1 TYR 24 HE1 TYR 24 43.321 37.007 45.679 188 HE2 TYR 24 HE2 TYR 24 42.007 34.301 42.664 189 HH TYR 24 HH TYR 24 42.059 33.803 44.856 190 H TYR 25 H TYR 25 40.337 38.199 41.062 191 HA TYR 25 HA TYR 25 39.114 39.355 43.530 192 HB2 TYR 25 HB2 TYR 25 37.779 39.321 41.303 193 HB3 TYR 25 HB1 TYR 25 37.593 37.617 41.621 194 HD1 TYR 25 HD1 TYR 25 36.525 40.964 42.209 195 HD2 TYR 25 HD2 TYR 25 36.419 37.029 43.896 196 HE1 TYR 25 HE1 TYR 25 34.753 41.710 43.765 197 HE2 TYR 25 HE2 TYR 25 34.588 37.755 45.409 198 HH TYR 25 HH TYR 25 33.347 39.697 46.292 199 H ASN 26 H ASN 26 39.099 38.162 45.349 200 HA ASN 26 HA ASN 26 39.762 35.284 45.144 201 HB2 ASN 26 HB2 ASN 26 41.162 36.686 46.602 202 HB3 ASN 26 HB1 ASN 26 39.747 37.120 47.559 203 HD21 ASN 26 1HD2 ASN 26 40.671 36.181 49.460 204 HD22 ASN 26 2HD2 ASN 26 40.714 34.413 49.579 205 HA PRO 27 HA PRO 27 35.176 35.155 45.757 206 HB2 PRO 27 HB1 PRO 27 34.741 32.662 44.693 207 HB3 PRO 27 HB2 PRO 27 34.878 34.157 43.706 208 HG2 PRO 27 HG1 PRO 27 37.038 32.120 44.321 209 HG3 PRO 27 HG2 PRO 27 36.578 32.820 42.736 210 HD2 PRO 27 HD1 PRO 27 38.668 33.797 44.153 211 HD3 PRO 27 HD2 PRO 27 37.576 34.891 43.273 212 H ALA 28 H ALA 28 37.813 33.063 46.857 213 HA ALA 28 HA ALA 28 36.457 31.318 48.580 214 HB1 ALA 28 HB1 ALA 28 38.565 31.099 49.706 215 HB2 ALA 28 HB2 ALA 28 38.929 31.361 47.987 216 HB3 ALA 28 HB3 ALA 28 39.112 32.688 49.158 217 H SER 29 H SER 29 36.863 34.770 48.938 218 HA SER 29 HA SER 29 35.327 34.649 51.499 219 HB2 SER 29 HB2 SER 29 37.730 35.039 51.959 220 HB3 SER 29 HB1 SER 29 37.679 36.485 50.934 221 HG SER 29 HG SER 29 36.268 36.030 53.356 222 H ASN 30 H ASN 30 34.918 35.347 48.435 223 HA ASN 30 HA ASN 30 34.010 36.914 47.127 224 HB2 ASN 30 HB2 ASN 30 32.118 36.291 48.707 225 HB3 ASN 30 HB1 ASN 30 32.399 37.821 49.519 226 HD21 ASN 30 1HD2 ASN 30 31.302 36.294 46.525 227 HD22 ASN 30 2HD2 ASN 30 30.570 37.770 45.897 228 H LYS 31 H LYS 31 36.562 37.810 48.096 229 HA LYS 31 HA LYS 31 36.119 40.775 48.130 230 HB2 LYS 31 HB2 LYS 31 37.994 39.208 49.936 231 HB3 LYS 31 HB1 LYS 31 38.033 40.946 49.781 232 HG2 LYS 31 HG2 LYS 31 35.786 39.238 50.891 233 HG3 LYS 31 HG1 LYS 31 36.849 40.244 51.828 234 HD2 LYS 31 HD2 LYS 31 34.892 41.428 49.784 235 HD3 LYS 31 HD1 LYS 31 34.430 40.995 51.420 236 HE2 LYS 31 HE2 LYS 31 34.950 43.341 51.339 237 HE3 LYS 31 HE1 LYS 31 36.096 42.488 52.379 238 HZ1 LYS 31 HZ1 LYS 31 37.236 44.059 50.948 239 HZ2 LYS 31 HZ2 LYS 31 37.695 42.540 50.572 240 HZ3 LYS 31 HZ3 LYS 31 36.636 43.323 49.578 241 H CYS 32 H CYS 32 37.274 41.906 46.747 242 HA CYS 32 HA CYS 32 39.338 40.667 45.092 243 HB2 CYS 32 HB2 CYS 32 37.711 42.508 44.406 244 HB3 CYS 32 HB1 CYS 32 38.681 43.606 45.407 245 H LYS 33 H LYS 33 41.559 41.270 44.989 246 HA LYS 33 HA LYS 33 42.721 43.003 47.091 247 HB2 LYS 33 HB2 LYS 33 44.465 41.469 47.669 248 HB3 LYS 33 HB1 LYS 33 42.912 40.695 48.017 249 HG2 LYS 33 HG2 LYS 33 43.082 39.363 45.963 250 HG3 LYS 33 HG1 LYS 33 44.543 40.236 45.479 251 HD2 LYS 33 HD2 LYS 33 45.314 38.191 46.238 252 HD3 LYS 33 HD1 LYS 33 45.711 39.347 47.511 253 HE2 LYS 33 HE2 LYS 33 43.915 38.551 48.929 254 HE3 LYS 33 HE1 LYS 33 43.203 37.626 47.597 255 HZ1 LYS 33 HZ1 LYS 33 44.509 36.127 48.974 256 HZ2 LYS 33 HZ2 LYS 33 45.280 36.300 47.526 257 HZ3 LYS 33 HZ3 LYS 33 45.844 37.086 48.823 258 H GLU 34 H GLU 34 45.001 43.529 46.582 259 HA GLU 34 HA GLU 34 45.424 43.823 43.654 260 HB2 GLU 34 HB2 GLU 34 46.933 45.620 44.160 261 HB3 GLU 34 HB1 GLU 34 45.332 45.941 44.799 262 HG2 GLU 34 HG2 GLU 34 47.741 45.048 46.440 263 HG3 GLU 34 HG1 GLU 34 47.116 46.681 46.315 264 H PHE 35 H PHE 35 47.277 43.055 42.703 265 HA PHE 35 HA PHE 35 49.268 41.717 44.421 266 HB2 PHE 35 HB2 PHE 35 49.277 39.690 43.351 267 HB3 PHE 35 HB1 PHE 35 47.576 40.006 43.575 268 HD1 PHE 35 HD1 PHE 35 46.120 40.287 41.629 269 HD2 PHE 35 HD2 PHE 35 50.345 39.860 41.147 270 HE1 PHE 35 HE1 PHE 35 45.782 39.754 39.217 271 HE2 PHE 35 HE2 PHE 35 50.019 39.466 38.714 272 HZ PHE 35 HZ PHE 35 47.751 39.348 37.756 273 H ILE 36 H ILE 36 51.338 41.467 43.413 274 HA ILE 36 HA ILE 36 51.849 43.604 41.393 275 HB ILE 36 HB ILE 36 53.530 42.273 43.516 276 HG12 ILE 36 2HG1 ILE 36 54.344 44.611 43.770 277 HG13 ILE 36 1HG1 ILE 36 53.311 45.119 42.421 278 HG21 ILE 36 1HG2 ILE 36 55.575 43.312 42.357 279 HG22 ILE 36 2HG2 ILE 36 54.949 41.835 41.648 280 HG23 ILE 36 3HG2 ILE 36 54.544 43.387 40.894 281 HD11 ILE 36 HD1 ILE 36 52.425 45.699 44.673 282 HD12 ILE 36 HD2 ILE 36 51.311 44.673 43.774 283 HD13 ILE 36 HD3 ILE 36 52.315 43.975 45.064 284 H TYR 37 H TYR 37 51.853 43.013 39.359 285 HA TYR 37 HA TYR 37 52.424 40.247 38.567 286 HB2 TYR 37 HB2 TYR 37 50.542 41.297 37.660 287 HB3 TYR 37 HB1 TYR 37 51.459 42.652 37.083 288 HD1 TYR 37 HD1 TYR 37 50.369 39.239 36.401 289 HD2 TYR 37 HD2 TYR 37 53.061 42.383 35.171 290 HE1 TYR 37 HE1 TYR 37 50.727 38.094 34.223 291 HE2 TYR 37 HE2 TYR 37 53.291 41.308 32.946 292 HH TYR 37 HH TYR 37 52.684 39.502 31.602 293 H GLY 38 H GLY 38 53.982 39.507 37.292 294 HA2 GLY 38 HA2 GLY 38 56.498 41.048 37.219 295 HA3 GLY 38 HA1 GLY 38 56.291 39.325 36.925 296 H GLY 39 H GLY 39 55.353 38.642 34.907 297 HA2 GLY 39 HA2 GLY 39 54.873 39.810 32.544 298 HA3 GLY 39 HA1 GLY 39 56.580 40.221 32.710 299 H CYS 40 H CYS 40 55.429 37.147 33.963 300 HA CYS 40 HA CYS 40 56.975 35.754 31.805 301 HB2 CYS 40 HB2 CYS 40 56.779 35.179 34.768 302 HB3 CYS 40 HB1 CYS 40 57.239 33.958 33.587 303 H GLY 41 H GLY 41 54.635 34.888 34.349 304 HA2 GLY 41 HA2 GLY 41 53.006 33.321 32.403 305 HA3 GLY 41 HA1 GLY 41 53.021 33.097 34.159 306 H GLY 42 H GLY 42 50.734 33.395 34.285 307 HA2 GLY 42 HA2 GLY 42 49.466 35.623 34.911 308 HA3 GLY 42 HA1 GLY 42 49.542 35.847 33.169 309 H ASN 43 H ASN 43 47.588 34.736 35.555 310 HA ASN 43 HA ASN 43 46.243 32.691 33.890 311 HB2 ASN 43 HB2 ASN 43 44.820 32.298 35.750 312 HB3 ASN 43 HB1 ASN 43 46.453 32.396 36.358 313 HD21 ASN 43 1HD2 ASN 43 44.632 32.636 38.239 314 HD22 ASN 43 2HD2 ASN 43 44.438 34.265 38.736 315 H ALA 44 H ALA 44 43.632 33.092 34.109 316 HA ALA 44 HA ALA 44 43.095 35.462 32.465 317 HB1 ALA 44 HB1 ALA 44 40.823 34.456 32.322 318 HB2 ALA 44 HB2 ALA 44 42.108 33.310 31.900 319 HB3 ALA 44 HB3 ALA 44 41.320 33.209 33.486 320 H ASN 45 H ASN 45 43.303 35.150 35.804 321 HA ASN 45 HA ASN 45 40.996 36.925 36.337 322 HB2 ASN 45 HB2 ASN 45 41.816 34.679 37.723 323 HB3 ASN 45 HB1 ASN 45 42.612 35.947 38.633 324 HD21 ASN 45 1HD2 ASN 45 41.150 35.504 40.442 325 HD22 ASN 45 2HD2 ASN 45 39.475 35.895 40.365 326 H ASN 46 H ASN 46 43.325 37.796 34.874 327 HA ASN 46 HA ASN 46 44.854 39.552 36.613 328 HB2 ASN 46 HB2 ASN 46 45.972 40.152 34.485 329 HB3 ASN 46 HB1 ASN 46 45.899 38.406 34.718 330 HD21 ASN 46 1HD2 ASN 46 44.528 41.057 32.769 331 HD22 ASN 46 2HD2 ASN 46 43.990 39.952 31.529 332 H PHE 47 H PHE 47 43.722 41.263 37.484 333 HA PHE 47 HA PHE 47 42.174 42.945 35.552 334 HB2 PHE 47 HB2 PHE 47 41.881 43.052 38.530 335 HB3 PHE 47 HB1 PHE 47 40.782 43.651 37.306 336 HD1 PHE 47 HD1 PHE 47 40.652 41.165 35.516 337 HD2 PHE 47 HD2 PHE 47 40.590 41.639 39.791 338 HE1 PHE 47 HE1 PHE 47 39.486 39.007 35.743 339 HE2 PHE 47 HE2 PHE 47 39.148 39.631 39.942 340 HZ PHE 47 HZ PHE 47 38.525 38.346 37.950 341 H GLU 48 H GLU 48 42.143 45.190 35.856 342 HA GLU 48 HA GLU 48 44.743 46.315 36.695 343 HB2 GLU 48 HB2 GLU 48 42.323 47.562 35.338 344 HB3 GLU 48 HB1 GLU 48 43.919 48.314 35.564 345 HG2 GLU 48 HG2 GLU 48 44.937 46.358 34.331 346 HG3 GLU 48 HG1 GLU 48 43.312 45.813 33.921 347 H THR 49 H THR 49 41.406 46.475 37.824 348 HA THR 49 HA THR 49 42.285 47.756 40.320 349 HB THR 49 HB THR 49 40.567 49.517 40.261 350 HG1 THR 49 HG1 THR 49 40.518 49.177 37.490 351 HG21 THR 49 1HG2 THR 49 41.720 51.161 39.000 352 HG22 THR 49 2HG2 THR 49 42.930 50.083 39.725 353 HG23 THR 49 3HG2 THR 49 42.531 49.950 38.006 354 H ARG 50 H ARG 50 40.576 47.872 41.938 355 HA ARG 50 HA ARG 50 38.846 45.708 42.239 356 HB2 ARG 50 HB2 ARG 50 38.363 48.518 43.284 357 HB3 ARG 50 HB1 ARG 50 37.633 47.032 43.913 358 HG2 ARG 50 HG2 ARG 50 39.911 46.185 44.515 359 HG3 ARG 50 HG1 ARG 50 40.598 47.732 43.974 360 HD2 ARG 50 HD2 ARG 50 38.557 47.409 46.194 361 HD3 ARG 50 HD1 ARG 50 40.299 47.611 46.425 362 HE ARG 50 HE ARG 50 39.841 49.803 44.998 363 HH11 ARG 50 1HH1 ARG 50 38.342 48.677 47.917 364 HH12 ARG 50 2HH1 ARG 50 37.809 50.258 48.388 365 HH21 ARG 50 1HH2 ARG 50 39.190 51.838 45.687 366 HH22 ARG 50 2HH2 ARG 50 38.300 51.996 47.153 367 H ALA 51 H ALA 51 38.282 48.502 40.187 368 HA ALA 51 HA ALA 51 35.390 48.342 40.131 369 HB1 ALA 51 HB1 ALA 51 35.622 49.862 38.206 370 HB2 ALA 51 HB2 ALA 51 36.612 50.415 39.567 371 HB3 ALA 51 HB3 ALA 51 37.374 49.599 38.184 372 H GLU 52 H GLU 52 37.949 47.299 37.786 373 HA GLU 52 HA GLU 52 36.217 45.706 36.125 374 HB2 GLU 52 HB2 GLU 52 38.303 46.490 35.322 375 HB3 GLU 52 HB1 GLU 52 39.194 45.743 36.668 376 HG2 GLU 52 HG2 GLU 52 38.667 43.495 35.876 377 HG3 GLU 52 HG1 GLU 52 37.538 44.135 34.670 378 H CYS 53 H CYS 53 38.393 44.841 38.856 379 HA CYS 53 HA CYS 53 37.985 42.167 39.067 380 HB2 CYS 53 HB2 CYS 53 39.340 43.828 40.469 381 HB3 CYS 53 HB1 CYS 53 37.874 44.083 41.416 382 H ARG 54 H ARG 54 35.745 44.613 40.384 383 HA ARG 54 HA ARG 54 33.775 42.660 41.321 384 HB2 ARG 54 HB2 ARG 54 33.689 45.663 40.790 385 HB3 ARG 54 HB1 ARG 54 32.286 44.751 41.338 386 HG2 ARG 54 HG2 ARG 54 33.384 44.094 43.403 387 HG3 ARG 54 HG1 ARG 54 34.926 44.775 42.866 388 HD2 ARG 54 HD2 ARG 54 33.820 46.316 44.401 389 HD3 ARG 54 HD1 ARG 54 33.963 47.021 42.786 390 HE ARG 54 HE ARG 54 31.443 45.641 43.567 391 HH11 ARG 54 1HH1 ARG 54 32.985 48.691 42.924 392 HH12 ARG 54 2HH1 ARG 54 31.510 49.591 42.909 393 HH21 ARG 54 1HH2 ARG 54 29.586 46.805 43.630 394 HH22 ARG 54 2HH2 ARG 54 29.643 48.532 43.487 395 H HIS 55 H HIS 55 34.347 44.069 38.143 396 HA HIS 55 HA HIS 55 31.623 43.315 37.223 397 HB2 HIS 55 HB2 HIS 55 33.994 44.527 35.766 398 HB3 HIS 55 HB1 HIS 55 32.496 44.056 34.990 399 HD1 HIS 55 HD1 HIS 55 33.974 46.884 36.901 400 HD2 HIS 55 HD2 HIS 55 30.206 45.423 35.741 401 HE1 HIS 55 HE1 HIS 55 32.385 48.925 36.904 402 HE2 HIS 55 HE2 HIS 55 30.070 48.012 36.216 403 H THR 56 H THR 56 34.923 42.020 37.140 404 HA THR 56 HA THR 56 34.203 39.919 35.375 405 HB THR 56 HB THR 56 36.533 39.911 37.320 406 HG1 THR 56 HG1 THR 56 37.577 40.927 35.522 407 HG21 THR 56 1HG2 THR 56 37.498 38.723 35.201 408 HG22 THR 56 2HG2 THR 56 36.343 37.815 36.191 409 HG23 THR 56 3HG2 THR 56 35.841 38.576 34.663 410 H CYS 57 H CYS 57 34.391 39.951 38.978 411 HA CYS 57 HA CYS 57 33.165 37.218 38.911 412 HB2 CYS 57 HB2 CYS 57 35.497 37.745 39.836 413 HB3 CYS 57 HB1 CYS 57 34.643 38.392 41.237 414 H VAL 58 H VAL 58 32.164 40.355 39.546 415 HA VAL 58 HA VAL 58 29.840 39.344 41.092 416 HB VAL 58 HB VAL 58 31.023 42.037 41.839 417 HG11 VAL 58 1HG1 VAL 58 29.741 41.697 43.885 418 HG12 VAL 58 2HG1 VAL 58 28.644 41.464 42.515 419 HG13 VAL 58 3HG1 VAL 58 29.285 40.072 43.377 420 HG21 VAL 58 1HG2 VAL 58 32.013 41.070 43.824 421 HG22 VAL 58 2HG2 VAL 58 31.692 39.433 43.202 422 HG23 VAL 58 3HG2 VAL 58 32.830 40.502 42.360 423 H ALA 59 H ALA 59 29.373 42.457 41.023 424 HA ALA 59 HA ALA 59 28.093 43.900 39.928 425 HB1 ALA 59 HB1 ALA 59 28.352 44.242 37.512 426 HB2 ALA 59 HB2 ALA 59 29.912 44.084 38.350 427 HB3 ALA 59 HB3 ALA 59 29.269 42.734 37.389 428 H SER 60 H SER 60 26.067 44.204 39.215 429 HA SER 60 HA SER 60 24.501 42.066 37.981 430 HB2 SER 60 HB2 SER 60 24.571 41.412 40.398 431 HB3 SER 60 HB1 SER 60 23.780 42.953 40.797 432 HG SER 60 HG SER 60 22.376 41.037 40.398 433 H ARG 61 H ARG 61 24.995 44.214 36.721 434 HA ARG 61 HA ARG 61 24.328 46.327 35.886 435 HB2 ARG 61 HB2 ARG 61 21.698 44.861 36.262 436 HB3 ARG 61 HB1 ARG 61 21.989 46.213 35.164 437 HG2 ARG 61 HG2 ARG 61 23.634 44.852 33.892 438 HG3 ARG 61 HG1 ARG 61 23.371 43.490 35.002 439 HD2 ARG 61 HD2 ARG 61 22.064 43.140 33.002 440 HD3 ARG 61 HD1 ARG 61 21.007 43.398 34.399 441 HE ARG 61 HE ARG 61 21.631 45.790 32.771 442 HH11 ARG 61 1HH1 ARG 61 19.332 43.172 33.191 443 HH12 ARG 61 2HH1 ARG 61 18.053 44.049 32.405 444 HH21 ARG 61 1HH2 ARG 61 19.934 46.857 31.762 445 HH22 ARG 61 2HH2 ARG 61 18.394 46.066 31.620 446 H LYS 62 H LYS 62 25.008 47.433 37.924 447 HA LYS 62 HA LYS 62 23.027 48.236 39.879 448 HB2 LYS 62 HB2 LYS 62 25.674 49.576 39.135 449 HB3 LYS 62 HB1 LYS 62 24.687 49.904 40.565 450 HG2 LYS 62 HG2 LYS 62 25.112 47.624 41.421 451 HG3 LYS 62 HG1 LYS 62 25.981 47.226 39.936 452 HD2 LYS 62 HD2 LYS 62 27.673 47.646 41.463 453 HD3 LYS 62 HD1 LYS 62 27.619 49.112 40.487 454 HE2 LYS 62 HE2 LYS 62 26.303 48.742 43.233 455 HE3 LYS 62 HE1 LYS 62 27.901 49.438 42.999 456 HZ1 LYS 62 HZ1 LYS 62 26.297 51.163 43.266 457 HZ2 LYS 62 HZ2 LYS 62 26.833 51.246 41.709 458 HZ3 LYS 62 HZ3 LYS 62 25.360 50.602 42.058 459 H GLY 63 H GLY 63 21.331 49.553 39.518 460 HA2 GLY 63 HA2 GLY 63 21.757 52.108 38.068 461 HA3 GLY 63 HA1 GLY 63 20.443 51.040 37.560 462 H GLY 64 H GLY 64 20.141 53.717 38.566 463 HA2 GLY 64 HA2 GLY 64 18.681 54.858 39.941 464 HA3 GLY 64 HA1 GLY 64 18.102 53.301 40.528 465 HA PRO 65 HA PRO 65 19.965 55.562 44.147 466 HB2 PRO 65 HB1 PRO 65 17.793 53.875 45.380 467 HB3 PRO 65 HB2 PRO 65 18.303 55.538 45.810 468 HG2 PRO 65 HG1 PRO 65 16.079 55.152 44.327 469 HG3 PRO 65 HG2 PRO 65 17.241 56.447 43.863 470 HD2 PRO 65 HD1 PRO 65 16.958 53.661 42.710 471 HD3 PRO 65 HD2 PRO 65 17.140 55.228 41.854 472 H ARG 66 H ARG 66 21.259 54.718 45.854 473 HA ARG 66 HA ARG 66 22.040 51.846 45.485 474 HB2 ARG 66 HB2 ARG 66 23.889 54.048 46.461 475 HB3 ARG 66 HB1 ARG 66 24.279 52.389 46.044 476 HG2 ARG 66 HG2 ARG 66 25.046 53.516 44.182 477 HG3 ARG 66 HG1 ARG 66 23.419 53.069 43.620 478 HD2 ARG 66 HD2 ARG 66 22.613 55.354 44.237 479 HD3 ARG 66 HD1 ARG 66 24.216 55.733 44.879 480 HE ARG 66 HE ARG 66 24.048 54.961 42.029 481 HH11 ARG 66 1HH1 ARG 66 23.730 57.676 44.216 482 HH12 ARG 66 2HH1 ARG 66 24.116 58.836 42.995 483 HH21 ARG 66 1HH2 ARG 66 24.691 56.534 40.514 484 HH22 ARG 66 2HH2 ARG 66 24.669 58.202 40.978 485 H ARG 67 H ARG 67 20.761 50.947 46.979 486 HA ARG 67 HA ARG 67 20.645 51.949 49.732 487 HB2 ARG 67 HB2 ARG 67 18.708 50.827 48.644 488 HB3 ARG 67 HB1 ARG 67 19.622 49.319 48.581 489 HG2 ARG 67 HG2 ARG 67 19.840 49.496 51.162 490 HG3 ARG 67 HG1 ARG 67 18.712 50.852 51.057 491 HD2 ARG 67 HD2 ARG 67 17.442 48.929 51.596 492 HD3 ARG 67 HD1 ARG 67 17.085 49.277 49.902 493 HE ARG 67 HE ARG 67 19.235 47.461 49.922 494 HH11 ARG 67 1HH1 ARG 67 15.972 47.353 51.139 495 HH12 ARG 67 2HH1 ARG 67 15.848 45.631 50.999 496 HH21 ARG 67 1HH2 ARG 67 19.030 45.230 49.736 497 HH22 ARG 67 2HH2 ARG 67 17.541 44.467 50.207 498 HA PRO 68 HA PRO 68 23.715 48.563 50.801 499 HB2 PRO 68 HB1 PRO 68 24.892 46.918 49.010 500 HB3 PRO 68 HB2 PRO 68 23.212 46.638 49.565 501 HG2 PRO 68 HG1 PRO 68 24.145 47.973 46.996 502 HG3 PRO 68 HG2 PRO 68 22.876 46.735 47.204 503 HD2 PRO 68 HD1 PRO 68 22.390 49.437 47.050 504 HD3 PRO 68 HD2 PRO 68 21.339 48.287 47.928 Start of MODEL 20 1 H PCA 1 H PGA 1 28.764 27.306 36.994 2 HA PCA 1 HA PGA 1 28.351 28.701 39.205 3 HB2 PCA 1 HB1 PGA 1 30.796 30.264 38.573 4 HB3 PCA 1 HB2 PGA 1 30.300 29.531 40.127 5 HG2 PCA 1 HG1 PGA 1 32.299 28.563 38.339 6 HG3 PCA 1 HG2 PGA 1 31.577 27.648 39.699 7 H ASP 2 H ASP 2 27.260 30.732 38.991 8 HA ASP 2 HA ASP 2 26.576 31.807 36.506 9 HB2 ASP 2 HB2 ASP 2 26.763 33.256 39.184 10 HB3 ASP 2 HB1 ASP 2 25.758 33.705 37.821 11 H ARG 3 H ARG 3 29.609 31.980 37.721 12 HA ARG 3 HA ARG 3 30.417 34.595 36.585 13 HB2 ARG 3 HB2 ARG 3 31.784 33.553 39.073 14 HB3 ARG 3 HB1 ARG 3 31.680 35.191 38.437 15 HG2 ARG 3 HG2 ARG 3 30.484 35.293 40.350 16 HG3 ARG 3 HG1 ARG 3 29.202 35.173 39.118 17 HD2 ARG 3 HD2 ARG 3 29.135 32.670 39.786 18 HD3 ARG 3 HD1 ARG 3 30.352 33.061 41.011 19 HE ARG 3 HE ARG 3 27.912 34.707 41.048 20 HH11 ARG 3 1HH1 ARG 3 29.490 31.910 42.408 21 HH12 ARG 3 2HH1 ARG 3 28.347 31.765 43.714 22 HH21 ARG 3 1HH2 ARG 3 26.432 34.424 42.700 23 HH22 ARG 3 2HH2 ARG 3 26.664 33.166 43.874 24 HA PRO 4 HA PRO 4 33.469 32.094 34.683 25 HB2 PRO 4 HB1 PRO 4 35.827 33.497 34.723 26 HB3 PRO 4 HB2 PRO 4 34.417 33.930 33.706 27 HG2 PRO 4 HG1 PRO 4 35.352 35.156 36.283 28 HG3 PRO 4 HG2 PRO 4 34.620 35.957 34.871 29 HD2 PRO 4 HD1 PRO 4 33.307 35.268 37.201 30 HD3 PRO 4 HD2 PRO 4 32.477 35.534 35.642 31 H LYS 5 H LYS 5 34.785 30.347 35.137 32 HA LYS 5 HA LYS 5 35.559 29.790 37.839 33 HB2 LYS 5 HB2 LYS 5 36.464 27.762 37.060 34 HB3 LYS 5 HB1 LYS 5 35.026 28.068 36.096 35 HG2 LYS 5 HG2 LYS 5 36.459 28.863 34.216 36 HG3 LYS 5 HG1 LYS 5 37.906 28.608 35.209 37 HD2 LYS 5 HD2 LYS 5 37.375 26.186 35.377 38 HD3 LYS 5 HD1 LYS 5 35.962 26.439 34.347 39 HE2 LYS 5 HE2 LYS 5 37.724 25.584 32.963 40 HE3 LYS 5 HE1 LYS 5 37.432 27.265 32.509 41 HZ1 LYS 5 HZ1 LYS 5 39.805 26.751 32.686 42 HZ2 LYS 5 HZ2 LYS 5 39.419 27.870 33.827 43 HZ3 LYS 5 HZ3 LYS 5 39.657 26.299 34.241 44 H PHE 6 H PHE 6 37.377 31.377 35.266 45 HA PHE 6 HA PHE 6 39.964 30.982 36.495 46 HB2 PHE 6 HB2 PHE 6 40.726 32.763 35.019 47 HB3 PHE 6 HB1 PHE 6 39.867 31.507 34.159 48 HD1 PHE 6 HD1 PHE 6 39.441 34.953 35.614 49 HD2 PHE 6 HD2 PHE 6 38.147 32.108 32.642 50 HE1 PHE 6 HE1 PHE 6 38.009 36.679 34.587 51 HE2 PHE 6 HE2 PHE 6 36.748 33.861 31.587 52 HZ PHE 6 HZ PHE 6 36.663 36.148 32.573 53 H CYS 7 H CYS 7 37.303 33.009 37.348 54 HA CYS 7 HA CYS 7 38.693 35.038 38.828 55 HB2 CYS 7 HB2 CYS 7 36.350 35.149 38.128 56 HB3 CYS 7 HB1 CYS 7 35.962 33.739 39.139 57 H TYR 8 H TYR 8 38.296 31.601 39.466 58 HA TYR 8 HA TYR 8 38.585 31.907 42.396 59 HB2 TYR 8 HB2 TYR 8 38.325 29.484 40.579 60 HB3 TYR 8 HB1 TYR 8 38.508 29.413 42.319 61 HD1 TYR 8 HD1 TYR 8 36.249 30.902 39.695 62 HD2 TYR 8 HD2 TYR 8 36.646 29.419 43.720 63 HE1 TYR 8 HE1 TYR 8 33.794 31.097 39.987 64 HE2 TYR 8 HE2 TYR 8 34.189 29.605 44.022 65 HH TYR 8 HH TYR 8 32.234 30.064 43.032 66 H LEU 9 H LEU 9 40.614 31.339 39.647 67 HA LEU 9 HA LEU 9 42.753 29.871 40.800 68 HB2 LEU 9 HB2 LEU 9 42.762 32.054 38.683 69 HB3 LEU 9 HB1 LEU 9 44.084 30.922 38.989 70 HG LEU 9 HG LEU 9 41.308 30.054 38.091 71 HD11 LEU 9 1HD1 LEU 9 42.250 29.815 35.858 72 HD12 LEU 9 2HD1 LEU 9 42.435 31.496 36.404 73 HD13 LEU 9 3HD1 LEU 9 43.825 30.390 36.435 74 HD21 LEU 9 1HD2 LEU 9 42.478 27.955 37.471 75 HD22 LEU 9 2HD2 LEU 9 43.983 28.596 38.158 76 HD23 LEU 9 3HD2 LEU 9 42.589 28.266 39.207 77 HA PRO 10 HA PRO 10 43.843 32.960 43.963 78 HB2 PRO 10 HB1 PRO 10 46.336 31.270 43.883 79 HB3 PRO 10 HB2 PRO 10 45.482 31.953 45.300 80 HG2 PRO 10 HG1 PRO 10 45.086 29.362 44.654 81 HG3 PRO 10 HG2 PRO 10 43.664 30.387 45.046 82 HD2 PRO 10 HD1 PRO 10 44.732 29.613 42.317 83 HD3 PRO 10 HD2 PRO 10 43.046 29.602 42.921 84 H ASP 11 H ASP 11 45.669 34.607 44.264 85 HA ASP 11 HA ASP 11 46.246 35.880 41.778 86 HB2 ASP 11 HB2 ASP 11 47.793 37.269 43.140 87 HB3 ASP 11 HB1 ASP 11 46.139 37.226 43.719 88 H ASP 12 H ASP 12 47.601 35.251 40.286 89 HA ASP 12 HA ASP 12 49.977 33.599 41.017 90 HB2 ASP 12 HB2 ASP 12 48.134 32.395 39.841 91 HB3 ASP 12 HB1 ASP 12 48.381 33.442 38.450 92 HA PRO 13 HA PRO 13 51.564 37.532 39.082 93 HB2 PRO 13 HB1 PRO 13 53.635 37.857 40.923 94 HB3 PRO 13 HB2 PRO 13 51.999 38.555 41.059 95 HG2 PRO 13 HG1 PRO 13 53.036 36.051 42.364 96 HG3 PRO 13 HG2 PRO 13 52.100 37.397 43.100 97 HD2 PRO 13 HD1 PRO 13 50.923 35.110 42.286 98 HD3 PRO 13 HD2 PRO 13 50.104 36.684 42.068 99 H GLY 14 H GLY 14 52.564 34.378 39.679 100 HA2 GLY 14 HA2 GLY 14 54.065 33.012 38.596 101 HA3 GLY 14 HA1 GLY 14 54.702 34.400 37.709 102 H VAL 15 H VAL 15 56.807 33.713 38.131 103 HA VAL 15 HA VAL 15 57.833 34.045 40.928 104 HB VAL 15 HB VAL 15 59.513 32.358 40.418 105 HG11 VAL 15 1HG1 VAL 15 58.085 30.412 40.410 106 HG12 VAL 15 2HG1 VAL 15 57.299 31.684 41.354 107 HG13 VAL 15 3HG1 VAL 15 56.724 31.319 39.718 108 HG21 VAL 15 1HG2 VAL 15 59.417 31.004 38.388 109 HG22 VAL 15 2HG2 VAL 15 58.105 31.991 37.727 110 HG23 VAL 15 3HG2 VAL 15 59.735 32.690 37.961 111 H CYS 16 H CYS 16 57.728 35.966 38.469 112 HA CYS 16 HA CYS 16 60.625 36.423 38.010 113 HB2 CYS 16 HB2 CYS 16 58.124 37.264 36.720 114 HB3 CYS 16 HB1 CYS 16 59.341 38.527 36.789 115 H LYS 17 H LYS 17 61.786 37.817 39.003 116 HA LYS 17 HA LYS 17 60.855 39.533 41.141 117 HB2 LYS 17 HB2 LYS 17 63.252 40.053 41.405 118 HB3 LYS 17 HB1 LYS 17 62.943 38.325 41.312 119 HG2 LYS 17 HG2 LYS 17 63.608 38.366 38.880 120 HG3 LYS 17 HG1 LYS 17 64.050 40.064 39.057 121 HD2 LYS 17 HD2 LYS 17 65.651 39.419 40.867 122 HD3 LYS 17 HD1 LYS 17 65.283 37.713 40.556 123 HE2 LYS 17 HE2 LYS 17 66.460 39.722 38.577 124 HE3 LYS 17 HE1 LYS 17 67.357 38.452 39.412 125 HZ1 LYS 17 HZ1 LYS 17 66.773 37.762 37.176 126 HZ2 LYS 17 HZ2 LYS 17 65.977 36.817 38.248 127 HZ3 LYS 17 HZ3 LYS 17 65.175 38.015 37.445 128 H ALA 18 H ALA 18 59.366 40.504 39.277 129 HA ALA 18 HA ALA 18 60.637 43.100 38.447 130 HB1 ALA 18 HB1 ALA 18 59.204 43.206 36.547 131 HB2 ALA 18 HB2 ALA 18 59.934 41.595 36.537 132 HB3 ALA 18 HB3 ALA 18 58.266 41.812 37.104 133 H HIS 19 H HIS 19 58.046 44.303 37.867 134 HA HIS 19 HA HIS 19 56.531 44.226 40.341 135 HB2 HIS 19 HB2 HIS 19 58.657 45.546 40.895 136 HB3 HIS 19 HB1 HIS 19 58.107 46.785 39.783 137 HD1 HIS 19 HD1 HIS 19 55.666 47.942 40.565 138 HD2 HIS 19 HD2 HIS 19 57.752 45.511 43.305 139 HE1 HIS 19 HE1 HIS 19 54.679 48.477 42.911 140 HE2 HIS 19 HE2 HIS 19 55.965 46.992 44.568 141 H ILE 20 H ILE 20 54.742 43.891 38.909 142 HA ILE 20 HA ILE 20 53.876 46.377 37.499 143 HB ILE 20 HB ILE 20 53.057 43.581 36.712 144 HG12 ILE 20 2HG1 ILE 20 55.442 45.193 35.780 145 HG13 ILE 20 1HG1 ILE 20 55.408 43.548 36.393 146 HG21 ILE 20 1HG2 ILE 20 52.367 44.783 34.642 147 HG22 ILE 20 2HG2 ILE 20 51.551 45.425 36.064 148 HG23 ILE 20 3HG2 ILE 20 52.914 46.301 35.350 149 HD11 ILE 20 HD1 ILE 20 55.775 43.351 34.084 150 HD12 ILE 20 HD2 ILE 20 54.059 42.933 34.282 151 HD13 ILE 20 HD3 ILE 20 54.523 44.527 33.682 152 HA PRO 21 HA PRO 21 50.580 46.136 40.697 153 HB2 PRO 21 HB1 PRO 21 49.041 48.196 39.715 154 HB3 PRO 21 HB2 PRO 21 50.459 48.416 40.795 155 HG2 PRO 21 HG1 PRO 21 50.351 48.632 37.778 156 HG3 PRO 21 HG2 PRO 21 51.138 49.752 38.939 157 HD2 PRO 21 HD1 PRO 21 52.544 47.906 37.586 158 HD3 PRO 21 HD2 PRO 21 52.930 48.239 39.297 159 H ARG 22 H ARG 22 49.091 44.617 40.583 160 HA ARG 22 HA ARG 22 47.352 44.422 38.235 161 HB2 ARG 22 HB2 ARG 22 49.500 42.861 38.116 162 HB3 ARG 22 HB1 ARG 22 48.678 41.923 39.357 163 HG2 ARG 22 HG2 ARG 22 48.134 40.907 37.259 164 HG3 ARG 22 HG1 ARG 22 46.681 41.775 37.726 165 HD2 ARG 22 HD2 ARG 22 46.930 42.364 35.461 166 HD3 ARG 22 HD1 ARG 22 47.623 43.743 36.300 167 HE ARG 22 HE ARG 22 49.484 41.563 35.578 168 HH11 ARG 22 1HH1 ARG 22 48.455 44.874 34.901 169 HH12 ARG 22 2HH1 ARG 22 49.696 45.115 33.751 170 HH21 ARG 22 1HH2 ARG 22 51.080 41.951 34.113 171 HH22 ARG 22 2HH2 ARG 22 51.123 43.486 33.275 172 H PHE 23 H PHE 23 45.520 42.987 38.688 173 HA PHE 23 HA PHE 23 44.874 42.745 41.594 174 HB2 PHE 23 HB2 PHE 23 43.227 43.914 39.334 175 HB3 PHE 23 HB1 PHE 23 42.538 43.425 40.859 176 HD1 PHE 23 HD1 PHE 23 42.449 44.924 42.644 177 HD2 PHE 23 HD2 PHE 23 45.253 45.649 39.449 178 HE1 PHE 23 HE1 PHE 23 43.047 47.153 43.617 179 HE2 PHE 23 HE2 PHE 23 45.791 47.848 40.408 180 HZ PHE 23 HZ PHE 23 44.649 48.634 42.446 181 H TYR 24 H TYR 24 43.494 41.165 42.217 182 HA TYR 24 HA TYR 24 42.377 39.375 40.160 183 HB2 TYR 24 HB2 TYR 24 43.766 37.691 40.487 184 HB3 TYR 24 HB1 TYR 24 44.727 38.654 41.581 185 HD1 TYR 24 HD1 TYR 24 43.832 38.830 44.042 186 HD2 TYR 24 HD2 TYR 24 43.079 35.641 41.318 187 HE1 TYR 24 HE1 TYR 24 43.263 37.294 45.957 188 HE2 TYR 24 HE2 TYR 24 42.279 34.207 43.156 189 HH TYR 24 HH TYR 24 42.293 33.939 45.361 190 H TYR 25 H TYR 25 40.565 38.180 40.866 191 HA TYR 25 HA TYR 25 39.235 39.356 43.261 192 HB2 TYR 25 HB2 TYR 25 38.037 39.294 41.069 193 HB3 TYR 25 HB1 TYR 25 38.026 37.549 41.216 194 HD1 TYR 25 HD1 TYR 25 36.770 40.721 42.555 195 HD2 TYR 25 HD2 TYR 25 36.542 36.468 42.934 196 HE1 TYR 25 HE1 TYR 25 34.838 40.976 44.110 197 HE2 TYR 25 HE2 TYR 25 34.485 36.709 44.317 198 HH TYR 25 HH TYR 25 33.120 38.174 45.469 199 H ASN 26 H ASN 26 39.029 38.270 45.171 200 HA ASN 26 HA ASN 26 39.755 35.390 45.227 201 HB2 ASN 26 HB2 ASN 26 41.051 36.999 46.646 202 HB3 ASN 26 HB1 ASN 26 39.585 37.345 47.547 203 HD21 ASN 26 1HD2 ASN 26 42.267 35.579 47.900 204 HD22 ASN 26 2HD2 ASN 26 41.575 34.431 48.992 205 HA PRO 27 HA PRO 27 35.169 35.312 45.570 206 HB2 PRO 27 HB1 PRO 27 34.833 32.656 44.812 207 HB3 PRO 27 HB2 PRO 27 34.900 34.048 43.690 208 HG2 PRO 27 HG1 PRO 27 37.099 32.120 44.417 209 HG3 PRO 27 HG2 PRO 27 36.675 32.835 42.817 210 HD2 PRO 27 HD1 PRO 27 38.738 33.768 44.358 211 HD3 PRO 27 HD2 PRO 27 37.755 34.831 43.323 212 H ALA 28 H ALA 28 37.491 32.957 46.921 213 HA ALA 28 HA ALA 28 35.762 31.822 48.868 214 HB1 ALA 28 HB1 ALA 28 37.863 31.184 49.981 215 HB2 ALA 28 HB2 ALA 28 37.984 30.907 48.235 216 HB3 ALA 28 HB3 ALA 28 38.779 32.319 48.961 217 H SER 29 H SER 29 37.586 34.869 48.875 218 HA SER 29 HA SER 29 36.470 35.541 51.555 219 HB2 SER 29 HB2 SER 29 38.927 35.736 51.015 220 HB3 SER 29 HB1 SER 29 38.516 37.083 49.941 221 HG SER 29 HG SER 29 37.643 36.958 52.629 222 H ASN 30 H ASN 30 35.253 35.757 48.574 223 HA ASN 30 HA ASN 30 33.983 37.150 47.356 224 HB2 ASN 30 HB2 ASN 30 32.531 36.466 49.240 225 HB3 ASN 30 HB1 ASN 30 32.971 37.933 50.121 226 HD21 ASN 30 1HD2 ASN 30 31.663 37.000 46.892 227 HD22 ASN 30 2HD2 ASN 30 30.569 38.399 46.876 228 H LYS 31 H LYS 31 36.543 38.277 47.629 229 HA LYS 31 HA LYS 31 35.932 41.059 46.975 230 HB2 LYS 31 HB2 LYS 31 37.375 42.086 48.715 231 HB3 LYS 31 HB1 LYS 31 35.960 41.289 49.360 232 HG2 LYS 31 HG2 LYS 31 37.376 40.465 50.858 233 HG3 LYS 31 HG1 LYS 31 37.687 39.224 49.646 234 HD2 LYS 31 HD2 LYS 31 39.671 40.561 48.849 235 HD3 LYS 31 HD1 LYS 31 39.371 41.715 50.147 236 HE2 LYS 31 HE2 LYS 31 40.054 38.756 50.424 237 HE3 LYS 31 HE1 LYS 31 41.113 40.136 50.795 238 HZ1 LYS 31 HZ1 LYS 31 40.167 39.294 52.824 239 HZ2 LYS 31 HZ2 LYS 31 39.402 40.734 52.537 240 HZ3 LYS 31 HZ3 LYS 31 38.678 39.287 52.211 241 H CYS 32 H CYS 32 37.517 42.078 45.762 242 HA CYS 32 HA CYS 32 39.794 40.412 44.906 243 HB2 CYS 32 HB2 CYS 32 40.187 42.348 43.339 244 HB3 CYS 32 HB1 CYS 32 38.688 41.478 43.165 245 H LYS 33 H LYS 33 41.892 41.474 44.535 246 HA LYS 33 HA LYS 33 42.749 43.468 46.528 247 HB2 LYS 33 HB2 LYS 33 44.576 42.066 47.387 248 HB3 LYS 33 HB1 LYS 33 42.987 41.372 47.770 249 HG2 LYS 33 HG2 LYS 33 43.220 39.766 45.923 250 HG3 LYS 33 HG1 LYS 33 44.750 40.507 45.432 251 HD2 LYS 33 HD2 LYS 33 45.328 38.535 46.500 252 HD3 LYS 33 HD1 LYS 33 45.750 39.803 47.630 253 HE2 LYS 33 HE2 LYS 33 43.104 38.264 47.739 254 HE3 LYS 33 HE1 LYS 33 44.597 37.656 48.481 255 HZ1 LYS 33 HZ1 LYS 33 43.352 38.868 50.109 256 HZ2 LYS 33 HZ2 LYS 33 44.738 39.659 49.772 257 HZ3 LYS 33 HZ3 LYS 33 43.333 40.240 49.151 258 H GLU 34 H GLU 34 44.809 44.339 46.102 259 HA GLU 34 HA GLU 34 45.699 44.247 43.284 260 HB2 GLU 34 HB2 GLU 34 45.329 46.420 44.490 261 HB3 GLU 34 HB1 GLU 34 46.565 45.956 45.643 262 HG2 GLU 34 HG2 GLU 34 48.247 45.835 43.797 263 HG3 GLU 34 HG1 GLU 34 47.001 46.319 42.642 264 H PHE 35 H PHE 35 47.409 42.980 42.769 265 HA PHE 35 HA PHE 35 49.321 42.108 44.859 266 HB2 PHE 35 HB2 PHE 35 49.437 39.920 44.093 267 HB3 PHE 35 HB1 PHE 35 47.716 40.229 44.197 268 HD1 PHE 35 HD1 PHE 35 46.338 40.069 42.174 269 HD2 PHE 35 HD2 PHE 35 50.610 39.908 41.912 270 HE1 PHE 35 HE1 PHE 35 46.164 39.223 39.822 271 HE2 PHE 35 HE2 PHE 35 50.438 39.163 39.556 272 HZ PHE 35 HZ PHE 35 48.216 38.746 38.530 273 H ILE 36 H ILE 36 51.499 41.754 43.965 274 HA ILE 36 HA ILE 36 51.967 43.463 41.561 275 HB ILE 36 HB ILE 36 53.760 42.622 43.839 276 HG12 ILE 36 2HG1 ILE 36 52.419 44.626 44.236 277 HG13 ILE 36 1HG1 ILE 36 54.122 45.035 44.068 278 HG21 ILE 36 1HG2 ILE 36 55.602 43.855 42.612 279 HG22 ILE 36 2HG2 ILE 36 55.179 42.276 41.958 280 HG23 ILE 36 3HG2 ILE 36 54.575 43.739 41.142 281 HD11 ILE 36 HD1 ILE 36 52.811 46.713 42.924 282 HD12 ILE 36 HD2 ILE 36 53.625 45.757 41.656 283 HD13 ILE 36 HD3 ILE 36 51.914 45.487 42.048 284 H TYR 37 H TYR 37 52.123 42.601 39.734 285 HA TYR 37 HA TYR 37 52.762 39.765 39.347 286 HB2 TYR 37 HB2 TYR 37 50.919 40.793 38.152 287 HB3 TYR 37 HB1 TYR 37 51.944 42.010 37.481 288 HD1 TYR 37 HD1 TYR 37 50.894 38.494 37.266 289 HD2 TYR 37 HD2 TYR 37 53.617 41.453 35.734 290 HE1 TYR 37 HE1 TYR 37 51.445 37.018 35.373 291 HE2 TYR 37 HE2 TYR 37 54.058 40.027 33.748 292 HH TYR 37 HH TYR 37 53.629 37.982 32.722 293 H GLY 38 H GLY 38 54.447 38.925 38.248 294 HA2 GLY 38 HA2 GLY 38 56.926 40.538 38.119 295 HA3 GLY 38 HA1 GLY 38 56.793 38.787 38.064 296 H GLY 39 H GLY 39 55.826 37.837 36.084 297 HA2 GLY 39 HA2 GLY 39 55.715 38.613 33.535 298 HA3 GLY 39 HA1 GLY 39 57.393 39.034 33.847 299 H CYS 40 H CYS 40 56.750 36.262 35.629 300 HA CYS 40 HA CYS 40 58.038 34.559 33.544 301 HB2 CYS 40 HB2 CYS 40 57.867 34.401 36.561 302 HB3 CYS 40 HB1 CYS 40 58.415 33.063 35.567 303 H GLY 41 H GLY 41 54.929 35.085 34.865 304 HA2 GLY 41 HA2 GLY 41 53.614 33.021 33.545 305 HA3 GLY 41 HA1 GLY 41 53.977 32.409 35.175 306 H GLY 42 H GLY 42 51.367 32.886 34.213 307 HA2 GLY 42 HA2 GLY 42 50.270 34.275 36.329 308 HA3 GLY 42 HA1 GLY 42 50.166 35.360 34.934 309 H ASN 43 H ASN 43 47.857 34.893 35.751 310 HA ASN 43 HA ASN 43 46.702 32.700 34.091 311 HB2 ASN 43 HB2 ASN 43 45.076 32.327 35.874 312 HB3 ASN 43 HB1 ASN 43 46.710 32.161 36.508 313 HD21 ASN 43 1HD2 ASN 43 45.216 32.455 38.536 314 HD22 ASN 43 2HD2 ASN 43 45.088 34.074 39.085 315 H ALA 44 H ALA 44 44.222 33.135 33.856 316 HA ALA 44 HA ALA 44 43.844 35.660 32.501 317 HB1 ALA 44 HB1 ALA 44 41.523 34.786 32.190 318 HB2 ALA 44 HB2 ALA 44 42.766 33.604 31.747 319 HB3 ALA 44 HB3 ALA 44 41.901 33.441 33.291 320 H ASN 45 H ASN 45 44.098 35.361 35.756 321 HA ASN 45 HA ASN 45 41.822 37.159 36.426 322 HB2 ASN 45 HB2 ASN 45 42.006 34.859 37.551 323 HB3 ASN 45 HB1 ASN 45 43.406 35.479 38.390 324 HD21 ASN 45 1HD2 ASN 45 41.493 34.632 39.926 325 HD22 ASN 45 2HD2 ASN 45 40.575 35.908 40.666 326 H ASN 46 H ASN 46 43.197 38.740 35.329 327 HA ASN 46 HA ASN 46 45.126 40.000 37.195 328 HB2 ASN 46 HB2 ASN 46 46.785 40.083 35.418 329 HB3 ASN 46 HB1 ASN 46 46.370 38.418 35.805 330 HD21 ASN 46 1HD2 ASN 46 47.539 39.655 33.327 331 HD22 ASN 46 2HD2 ASN 46 46.431 39.110 32.070 332 H PHE 47 H PHE 47 43.732 41.693 37.551 333 HA PHE 47 HA PHE 47 43.080 43.453 35.198 334 HB2 PHE 47 HB2 PHE 47 41.721 43.191 37.897 335 HB3 PHE 47 HB1 PHE 47 41.305 44.329 36.620 336 HD1 PHE 47 HD1 PHE 47 40.991 43.174 34.188 337 HD2 PHE 47 HD2 PHE 47 40.372 41.278 38.015 338 HE1 PHE 47 HE1 PHE 47 39.480 41.525 33.123 339 HE2 PHE 47 HE2 PHE 47 38.901 39.599 36.945 340 HZ PHE 47 HZ PHE 47 38.437 39.737 34.481 341 H GLU 48 H GLU 48 42.593 45.811 36.203 342 HA GLU 48 HA GLU 48 45.140 46.721 37.510 343 HB2 GLU 48 HB2 GLU 48 43.427 47.955 35.322 344 HB3 GLU 48 HB1 GLU 48 44.702 48.828 36.158 345 HG2 GLU 48 HG2 GLU 48 45.096 46.306 34.518 346 HG3 GLU 48 HG1 GLU 48 45.481 47.937 34.020 347 H THR 49 H THR 49 41.837 46.437 38.256 348 HA THR 49 HA THR 49 42.203 48.438 40.343 349 HB THR 49 HB THR 49 40.082 49.599 39.989 350 HG1 THR 49 HG1 THR 49 39.686 47.795 38.051 351 HG21 THR 49 1HG2 THR 49 40.667 51.166 38.326 352 HG22 THR 49 2HG2 THR 49 42.128 50.675 39.220 353 HG23 THR 49 3HG2 THR 49 41.828 50.044 37.591 354 H ARG 50 H ARG 50 39.809 48.596 41.456 355 HA ARG 50 HA ARG 50 39.095 45.782 42.187 356 HB2 ARG 50 HB2 ARG 50 38.609 48.364 43.756 357 HB3 ARG 50 HB1 ARG 50 38.278 46.714 44.321 358 HG2 ARG 50 HG2 ARG 50 40.707 46.197 44.232 359 HG3 ARG 50 HG1 ARG 50 41.025 47.824 43.587 360 HD2 ARG 50 HD2 ARG 50 41.563 47.759 45.933 361 HD3 ARG 50 HD1 ARG 50 40.254 48.879 45.578 362 HE ARG 50 HE ARG 50 39.451 46.172 46.427 363 HH11 ARG 50 1HH1 ARG 50 40.195 49.385 47.571 364 HH12 ARG 50 2HH1 ARG 50 39.277 49.220 49.040 365 HH21 ARG 50 1HH2 ARG 50 38.327 45.962 48.361 366 HH22 ARG 50 2HH2 ARG 50 38.241 47.312 49.459 367 H ALA 51 H ALA 51 38.016 47.985 40.107 368 HA ALA 51 HA ALA 51 35.140 47.960 40.861 369 HB1 ALA 51 HB1 ALA 51 34.911 49.559 38.988 370 HB2 ALA 51 HB2 ALA 51 36.138 50.097 40.156 371 HB3 ALA 51 HB3 ALA 51 36.641 49.369 38.618 372 H GLU 52 H GLU 52 37.316 46.919 38.147 373 HA GLU 52 HA GLU 52 35.215 45.611 36.709 374 HB2 GLU 52 HB2 GLU 52 36.789 44.917 35.230 375 HB3 GLU 52 HB1 GLU 52 37.495 46.397 35.845 376 HG2 GLU 52 HG2 GLU 52 38.246 43.531 36.486 377 HG3 GLU 52 HG1 GLU 52 39.217 44.752 35.649 378 H CYS 53 H CYS 53 37.491 44.457 39.229 379 HA CYS 53 HA CYS 53 37.007 41.849 39.289 380 HB2 CYS 53 HB2 CYS 53 38.100 41.952 41.228 381 HB3 CYS 53 HB1 CYS 53 38.293 43.634 40.850 382 H ARG 54 H ARG 54 34.835 44.318 40.491 383 HA ARG 54 HA ARG 54 32.818 42.471 41.519 384 HB2 ARG 54 HB2 ARG 54 32.640 45.453 40.896 385 HB3 ARG 54 HB1 ARG 54 31.414 44.508 41.737 386 HG2 ARG 54 HG2 ARG 54 32.944 44.067 43.601 387 HG3 ARG 54 HG1 ARG 54 34.260 44.908 42.743 388 HD2 ARG 54 HD2 ARG 54 32.953 46.972 42.698 389 HD3 ARG 54 HD1 ARG 54 31.626 46.182 43.573 390 HE ARG 54 HE ARG 54 33.526 45.748 45.351 391 HH11 ARG 54 1HH1 ARG 54 33.132 48.725 43.532 392 HH12 ARG 54 2HH1 ARG 54 33.722 49.716 44.831 393 HH21 ARG 54 1HH2 ARG 54 34.191 47.102 47.003 394 HH22 ARG 54 2HH2 ARG 54 34.315 48.809 46.727 395 H HIS 55 H HIS 55 33.431 44.066 38.419 396 HA HIS 55 HA HIS 55 30.785 43.267 37.329 397 HB2 HIS 55 HB2 HIS 55 33.201 44.697 36.137 398 HB3 HIS 55 HB1 HIS 55 31.792 44.223 35.210 399 HD1 HIS 55 HD1 HIS 55 30.456 46.340 34.738 400 HD2 HIS 55 HD2 HIS 55 32.081 46.212 38.618 401 HE1 HIS 55 HE1 HIS 55 29.645 48.474 35.923 402 HE2 HIS 55 HE2 HIS 55 30.652 48.398 38.294 403 H THR 56 H THR 56 33.971 41.933 37.540 404 HA THR 56 HA THR 56 33.554 39.944 35.467 405 HB THR 56 HB THR 56 35.729 40.228 37.581 406 HG1 THR 56 HG1 THR 56 36.836 41.179 35.884 407 HG21 THR 56 1HG2 THR 56 37.037 38.749 36.072 408 HG22 THR 56 2HG2 THR 56 35.625 37.899 36.670 409 HG23 THR 56 3HG2 THR 56 35.627 38.560 35.012 410 H CYS 57 H CYS 57 33.552 39.945 39.056 411 HA CYS 57 HA CYS 57 32.407 37.187 38.950 412 HB2 CYS 57 HB2 CYS 57 34.025 38.361 41.203 413 HB3 CYS 57 HB1 CYS 57 33.594 36.678 40.915 414 H VAL 58 H VAL 58 31.944 40.378 40.514 415 HA VAL 58 HA VAL 58 29.972 39.196 42.380 416 HB VAL 58 HB VAL 58 30.744 42.128 42.112 417 HG11 VAL 58 1HG1 VAL 58 29.732 42.358 44.338 418 HG12 VAL 58 2HG1 VAL 58 28.519 41.869 43.149 419 HG13 VAL 58 3HG1 VAL 58 29.180 40.667 44.261 420 HG21 VAL 58 1HG2 VAL 58 32.049 41.780 44.141 421 HG22 VAL 58 2HG2 VAL 58 31.558 40.082 44.170 422 HG23 VAL 58 3HG2 VAL 58 32.638 40.671 42.889 423 H ALA 59 H ALA 59 29.511 42.177 40.625 424 HA ALA 59 HA ALA 59 26.715 41.592 39.994 425 HB1 ALA 59 HB1 ALA 59 26.791 43.905 39.094 426 HB2 ALA 59 HB2 ALA 59 27.446 43.857 40.736 427 HB3 ALA 59 HB3 ALA 59 28.556 43.950 39.349 428 H SER 60 H SER 60 26.106 42.120 37.660 429 HA SER 60 HA SER 60 26.051 41.498 35.471 430 HB2 SER 60 HB2 SER 60 28.188 42.746 35.266 431 HB3 SER 60 HB1 SER 60 29.064 41.223 35.527 432 HG SER 60 HG SER 60 28.760 41.619 33.339 433 H ARG 61 H ARG 61 24.941 39.673 35.427 434 HA ARG 61 HA ARG 61 26.315 37.079 36.015 435 HB2 ARG 61 HB2 ARG 61 24.343 37.609 37.423 436 HB3 ARG 61 HB1 ARG 61 23.329 37.704 35.965 437 HG2 ARG 61 HG2 ARG 61 23.883 35.344 35.419 438 HG3 ARG 61 HG1 ARG 61 24.933 35.276 36.819 439 HD2 ARG 61 HD2 ARG 61 21.919 35.612 36.789 440 HD3 ARG 61 HD1 ARG 61 22.812 34.135 37.201 441 HE ARG 61 HE ARG 61 23.658 36.258 38.916 442 HH11 ARG 61 1HH1 ARG 61 21.097 33.963 38.494 443 HH12 ARG 61 2HH1 ARG 61 20.409 34.217 40.067 444 HH21 ARG 61 1HH2 ARG 61 22.802 36.518 40.995 445 HH22 ARG 61 2HH2 ARG 61 21.420 35.582 41.469 446 H LYS 62 H LYS 62 26.397 35.490 34.484 447 HA LYS 62 HA LYS 62 25.676 36.273 31.707 448 HB2 LYS 62 HB2 LYS 62 27.496 34.079 32.771 449 HB3 LYS 62 HB1 LYS 62 27.122 34.357 31.074 450 HG2 LYS 62 HG2 LYS 62 29.151 35.406 31.311 451 HG3 LYS 62 HG1 LYS 62 27.993 36.738 31.322 452 HD2 LYS 62 HD2 LYS 62 28.222 36.917 33.800 453 HD3 LYS 62 HD1 LYS 62 29.306 35.518 33.814 454 HE2 LYS 62 HE2 LYS 62 29.766 38.212 32.450 455 HE3 LYS 62 HE1 LYS 62 30.451 37.719 33.995 456 HZ1 LYS 62 HZ1 LYS 62 32.032 37.393 32.209 457 HZ2 LYS 62 HZ2 LYS 62 31.620 35.928 32.828 458 HZ3 LYS 62 HZ3 LYS 62 30.995 36.423 31.380 459 H GLY 63 H GLY 63 23.492 35.725 33.294 460 HA2 GLY 63 HA2 GLY 63 21.534 34.479 33.415 461 HA3 GLY 63 HA1 GLY 63 22.045 33.604 31.974 462 H GLY 64 H GLY 64 21.067 31.723 33.061 463 HA2 GLY 64 HA2 GLY 64 22.723 30.530 35.222 464 HA3 GLY 64 HA1 GLY 64 21.071 30.075 34.844 465 HA PRO 65 HA PRO 65 24.103 27.223 32.444 466 HB2 PRO 65 HB1 PRO 65 23.691 25.359 34.750 467 HB3 PRO 65 HB2 PRO 65 25.176 25.641 33.792 468 HG2 PRO 65 HG1 PRO 65 24.924 26.605 36.319 469 HG3 PRO 65 HG2 PRO 65 25.691 27.592 35.041 470 HD2 PRO 65 HD1 PRO 65 22.834 27.728 36.051 471 HD3 PRO 65 HD2 PRO 65 24.014 29.048 35.782 472 H ARG 66 H ARG 66 23.384 24.977 31.681 473 HA ARG 66 HA ARG 66 21.745 23.685 30.668 474 HB2 ARG 66 HB2 ARG 66 20.256 24.033 33.287 475 HB3 ARG 66 HB1 ARG 66 19.994 22.777 32.071 476 HG2 ARG 66 HG2 ARG 66 22.194 21.807 32.484 477 HG3 ARG 66 HG1 ARG 66 22.592 23.088 33.651 478 HD2 ARG 66 HD2 ARG 66 20.283 21.116 33.922 479 HD3 ARG 66 HD1 ARG 66 21.862 20.969 34.712 480 HE ARG 66 HE ARG 66 20.413 23.489 35.196 481 HH11 ARG 66 1HH1 ARG 66 20.860 20.255 36.408 482 HH12 ARG 66 2HH1 ARG 66 20.373 20.666 38.023 483 HH21 ARG 66 1HH2 ARG 66 19.772 23.974 37.275 484 HH22 ARG 66 2HH2 ARG 66 19.769 22.734 38.497 485 H ARG 67 H ARG 67 21.667 25.954 29.584 486 HA ARG 67 HA ARG 67 18.901 27.034 29.546 487 HB2 ARG 67 HB2 ARG 67 20.773 28.633 29.662 488 HB3 ARG 67 HB1 ARG 67 21.409 28.042 28.130 489 HG2 ARG 67 HG2 ARG 67 19.176 28.684 27.045 490 HG3 ARG 67 HG1 ARG 67 18.733 29.431 28.588 491 HD2 ARG 67 HD2 ARG 67 21.062 30.126 26.767 492 HD3 ARG 67 HD1 ARG 67 19.602 31.095 27.018 493 HE ARG 67 HE ARG 67 20.630 30.835 29.550 494 HH11 ARG 67 1HH1 ARG 67 21.995 32.077 26.598 495 HH12 ARG 67 2HH1 ARG 67 23.222 33.001 27.417 496 HH21 ARG 67 1HH2 ARG 67 22.336 31.824 30.533 497 HH22 ARG 67 2HH2 ARG 67 23.386 32.882 29.670 498 HA PRO 68 HA PRO 68 19.042 25.324 25.161 499 HB2 PRO 68 HB1 PRO 68 21.017 23.732 24.223 500 HB3 PRO 68 HB2 PRO 68 21.174 25.511 24.239 501 HG2 PRO 68 HG1 PRO 68 22.287 23.514 26.233 502 HG3 PRO 68 HG2 PRO 68 23.123 24.902 25.476 503 HD2 PRO 68 HD1 PRO 68 21.982 24.976 27.959 504 HD3 PRO 68 HD2 PRO 68 22.105 26.410 26.901
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