NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
3996 | 1eii | 4682 | cing | 1-original | 7 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 1H MET 1 60.983 78.867 48.405 2 2H MET 1 2H MET 1 59.390 79.374 48.609 3 3H MET 1 3H MET 1 59.893 78.525 47.231 4 HA MET 1 HA MET 1 59.843 77.231 49.900 5 1HB MET 1 2HB MET 1 57.943 77.202 47.453 6 2HB MET 1 1HB MET 1 57.996 75.904 48.678 7 1HG MET 1 2HG MET 1 57.603 77.659 50.514 8 2HG MET 1 1HG MET 1 57.366 78.910 49.325 9 1HE MET 1 1HE MET 1 54.377 78.978 48.071 10 2HE MET 1 2HE MET 1 54.761 77.603 46.972 11 3HE MET 1 3HE MET 1 56.047 78.641 47.360 12 H THR 2 H THR 2 61.954 76.415 49.435 13 HA THR 2 HA THR 2 62.362 75.047 46.858 14 HB THR 2 HB THR 2 64.165 74.920 49.349 15 HG1 THR 2 1HG THR 2 64.008 76.975 47.468 16 1HG2 THR 2 1HG2 THR 2 64.799 73.512 47.264 17 2HG2 THR 2 2HG2 THR 2 65.918 74.899 47.324 18 3HG2 THR 2 3HG2 THR 2 64.534 74.915 46.185 19 H LYS 3 H LYS 3 60.273 73.889 48.315 20 HA LYS 3 HA LYS 3 61.606 71.183 48.929 21 1HB LYS 3 2HB LYS 3 59.774 71.099 50.856 22 2HB LYS 3 1HB LYS 3 61.415 71.789 51.199 23 1HG LYS 3 2HG LYS 3 59.343 73.738 50.126 24 2HG LYS 3 1HG LYS 3 59.139 73.070 51.785 25 1HD LYS 3 2HD LYS 3 61.918 73.984 50.885 26 2HD LYS 3 1HD LYS 3 60.672 75.274 51.174 27 1HE LYS 3 2HE LYS 3 60.253 74.020 53.444 28 2HE LYS 3 1HE LYS 3 61.798 73.098 53.001 29 1HZ LYS 3 1HZ LYS 3 62.077 75.161 54.507 30 2HZ LYS 3 2HZ LYS 3 61.602 76.105 53.254 31 3HZ LYS 3 3HZ LYS 3 62.998 75.179 53.156 32 H ASP 4 H ASP 4 58.469 72.858 48.505 33 HA ASP 4 HA ASP 4 56.413 72.077 47.796 34 1HB ASP 4 2HB ASP 4 57.869 70.248 45.827 35 2HB ASP 4 1HB ASP 4 56.313 71.267 45.705 36 H GLN 5 H GLN 5 56.342 71.025 49.959 37 HA GLN 5 HA GLN 5 56.907 68.189 50.102 38 1HB GLN 5 2HB GLN 5 55.844 70.402 51.742 39 2HB GLN 5 1HB GLN 5 54.672 68.991 51.844 40 1HG GLN 5 2HG GLN 5 57.710 68.894 52.438 41 2HG GLN 5 1HG GLN 5 56.292 68.899 53.656 42 1HE2 GLN 5 1HE2 GLN 5 55.581 67.182 54.433 43 2HE2 GLN 5 2HE2 GLN 5 55.710 65.599 53.644 44 H ASN 6 H ASN 6 54.012 70.060 49.694 45 HA ASN 6 HA ASN 6 51.986 68.285 49.312 46 1HB ASN 6 2HB ASN 6 52.384 70.376 47.047 47 2HB ASN 6 1HB ASN 6 50.840 69.741 47.890 48 1HD2 ASN 6 1HD2 ASN 6 50.055 71.533 48.156 49 2HD2 ASN 6 2HD2 ASN 6 50.650 72.646 49.578 50 H GLY 7 H GLY 7 52.659 66.301 48.820 51 1HA GLY 7 1HA GLY 7 52.593 65.775 45.876 52 2HA GLY 7 2HA GLY 7 53.969 65.150 46.843 53 H THR 8 H THR 8 52.769 63.598 45.437 54 HA THR 8 HA THR 8 50.937 62.006 47.114 55 HB THR 8 HB THR 8 51.250 61.917 43.978 56 HG1 THR 8 1HG THR 8 48.852 62.605 44.865 57 1HG2 THR 8 1HG2 THR 8 50.367 59.741 45.006 58 2HG2 THR 8 2HG2 THR 8 48.857 60.622 44.576 59 3HG2 THR 8 3HG2 THR 8 49.430 60.650 46.280 60 H TRP 9 H TRP 9 51.412 59.794 47.102 61 HA TRP 9 HA TRP 9 53.792 58.796 45.814 62 1HB TRP 9 2HB TRP 9 54.847 58.503 48.423 63 2HB TRP 9 1HB TRP 9 55.500 59.444 47.054 64 HD1 TRP 9 HD1 TRP 9 52.423 60.034 49.350 65 HE1 TRP 9 HE1 TRP 9 52.406 62.521 50.258 66 HE3 TRP 9 HE3 TRP 9 56.598 61.339 47.226 67 HZ2 TRP 9 HZ2 TRP 9 54.112 64.561 49.928 68 HZ3 TRP 9 HZ3 TRP 9 57.504 63.612 47.494 69 HH2 TRP 9 HH2 TRP 9 56.284 65.256 48.856 70 H GLU 10 H GLU 10 52.243 57.127 45.341 71 HA GLU 10 HA GLU 10 50.922 55.504 47.227 72 1HB GLU 10 2HB GLU 10 52.100 54.922 44.433 73 2HB GLU 10 1HB GLU 10 51.389 53.584 45.466 74 1HG GLU 10 2HG GLU 10 49.621 55.861 45.502 75 2HG GLU 10 1HG GLU 10 50.171 55.488 43.745 76 H MET 11 H MET 11 51.989 55.163 48.916 77 HA MET 11 HA MET 11 54.598 54.458 49.607 78 1HB MET 11 2HB MET 11 51.976 54.476 50.878 79 2HB MET 11 1HB MET 11 52.607 52.749 50.975 80 1HG MET 11 2HG MET 11 54.849 54.294 51.729 81 2HG MET 11 1HG MET 11 53.497 55.228 52.355 82 1HE MET 11 1HE MET 11 54.519 54.282 55.314 83 2HE MET 11 2HE MET 11 52.782 53.761 55.518 84 3HE MET 11 3HE MET 11 53.144 55.073 54.472 85 H GLU 12 H GLU 12 55.872 52.868 49.508 86 HA GLU 12 HA GLU 12 55.023 50.521 47.895 87 1HB GLU 12 2HB GLU 12 56.983 50.824 46.864 88 2HB GLU 12 1HB GLU 12 57.543 52.029 48.095 89 1HG GLU 12 2HG GLU 12 58.583 50.251 49.394 90 2HG GLU 12 1HG GLU 12 57.482 48.962 48.515 91 H SER 13 H SER 13 56.998 51.379 50.810 92 HA SER 13 HA SER 13 55.641 49.824 52.753 93 1HB SER 13 2HB SER 13 56.100 47.559 52.177 94 2HB SER 13 1HB SER 13 57.115 48.126 50.721 95 HG SER 13 HG SER 13 57.797 47.384 53.210 96 H ASN 14 H ASN 14 56.734 49.040 54.347 97 HA ASN 14 HA ASN 14 59.143 50.708 54.979 98 1HB ASN 14 2HB ASN 14 58.563 49.251 57.401 99 2HB ASN 14 1HB ASN 14 57.919 50.923 57.062 100 1HD2 ASN 14 2HD2 ASN 14 57.364 47.740 55.691 101 2HD2 ASN 14 1HD2 ASN 14 55.499 47.781 56.033 102 H GLU 15 H GLU 15 60.838 49.933 56.291 103 HA GLU 15 HA GLU 15 61.421 47.279 55.066 104 1HB GLU 15 2HB GLU 15 63.277 49.402 56.442 105 2HB GLU 15 1HB GLU 15 63.858 47.776 55.917 106 1HG GLU 15 2HG GLU 15 62.695 48.105 53.662 107 2HG GLU 15 1HG GLU 15 62.645 49.906 54.169 108 H ASN 16 H ASN 16 62.060 48.818 58.353 109 HA ASN 16 HA ASN 16 61.967 46.056 59.440 110 1HB ASN 16 2HB ASN 16 62.689 48.769 60.506 111 2HB ASN 16 1HB ASN 16 61.901 47.564 61.744 112 1HD2 ASN 16 1HD2 ASN 16 64.179 48.383 62.307 113 2HD2 ASN 16 2HD2 ASN 16 65.512 47.087 61.913 114 H PHE 17 H PHE 17 60.195 45.534 58.643 115 HA PHE 17 HA PHE 17 57.560 46.596 59.048 116 1HB PHE 17 2HB PHE 17 57.864 43.595 59.361 117 2HB PHE 17 1HB PHE 17 56.719 44.641 58.376 118 HD1 PHE 17 HD1 PHE 17 59.816 42.871 58.490 119 HD2 PHE 17 HD2 PHE 17 57.559 45.651 56.255 120 HE1 PHE 17 HE1 PHE 17 61.284 42.519 56.525 121 HE2 PHE 17 HE2 PHE 17 59.039 45.317 54.221 122 HZ PHE 17 HZ PHE 17 60.917 43.764 54.313 123 H GLU 18 H GLU 18 59.496 44.526 61.081 124 HA GLU 18 HA GLU 18 57.436 44.211 63.270 125 1HB GLU 18 2HB GLU 18 59.391 43.258 64.472 126 2HB GLU 18 1HB GLU 18 59.408 42.718 62.713 127 1HG GLU 18 2HG GLU 18 61.143 44.305 62.154 128 2HG GLU 18 1HG GLU 18 61.136 44.950 63.958 129 H GLY 19 H GLY 19 60.054 46.505 62.696 130 1HA GLY 19 1HA GLY 19 59.879 47.325 65.600 131 2HA GLY 19 2HA GLY 19 60.854 48.194 64.336 132 H TYR 20 H TYR 20 58.369 48.390 62.517 133 HA TYR 20 HA TYR 20 57.428 50.845 63.856 134 1HB TYR 20 2HB TYR 20 57.649 50.877 61.413 135 2HB TYR 20 1HB TYR 20 56.717 49.327 61.221 136 HD1 TYR 20 HD1 TYR 20 56.127 52.345 63.290 137 HD2 TYR 20 HD2 TYR 20 54.864 49.896 60.061 138 HE1 TYR 20 HE1 TYR 20 54.082 53.760 63.147 139 HE2 TYR 20 HE2 TYR 20 52.807 51.194 59.783 140 HH TYR 20 HH TYR 20 52.171 53.984 62.051 141 H MET 21 H MET 21 56.528 47.454 63.732 142 HA MET 21 HA MET 21 53.702 47.823 64.253 143 1HB MET 21 2HB MET 21 55.109 45.673 63.422 144 2HB MET 21 1HB MET 21 55.743 45.677 65.080 145 1HG MET 21 2HG MET 21 52.782 45.878 65.025 146 2HG MET 21 1HG MET 21 53.216 44.461 64.090 147 1HE MET 21 1HE MET 21 55.350 43.239 64.604 148 2HE MET 21 2HE MET 21 54.968 42.038 65.911 149 3HE MET 21 3HE MET 21 56.165 43.232 66.223 150 H LYS 22 H LYS 22 56.592 47.605 65.982 151 HA LYS 22 HA LYS 22 55.302 47.471 68.611 152 1HB LYS 22 2HB LYS 22 57.633 46.407 68.197 153 2HB LYS 22 1HB LYS 22 58.251 48.007 67.648 154 1HG LYS 22 2HG LYS 22 57.914 48.955 69.862 155 2HG LYS 22 1HG LYS 22 57.132 47.359 70.420 156 1HD LYS 22 2HD LYS 22 59.245 46.562 70.979 157 2HD LYS 22 1HD LYS 22 59.589 46.575 69.203 158 1HE LYS 22 2HE LYS 22 60.296 49.081 69.459 159 2HE LYS 22 1HE LYS 22 59.931 48.851 71.253 160 1HZ LYS 22 1HZ LYS 22 62.308 48.565 70.212 161 2HZ LYS 22 2HZ LYS 22 61.758 46.959 70.055 162 3HZ LYS 22 3HZ LYS 22 61.785 47.680 71.528 163 H ALA 23 H ALA 23 56.097 49.943 66.540 164 HA ALA 23 HA ALA 23 56.506 51.985 68.524 165 1HB ALA 23 1HB ALA 23 57.138 52.545 66.356 166 2HB ALA 23 2HB ALA 23 55.709 53.621 66.723 167 3HB ALA 23 3HB ALA 23 55.462 52.154 65.673 168 H LEU 24 H LEU 24 53.897 50.275 67.480 169 HA LEU 24 HA LEU 24 51.962 51.059 69.435 170 1HB LEU 24 2HB LEU 24 50.217 51.742 67.659 171 2HB LEU 24 1HB LEU 24 51.512 52.962 67.946 172 HG LEU 24 HG LEU 24 52.385 51.015 65.895 173 1HD1 LEU 24 1HD1 LEU 24 50.349 50.576 64.862 174 2HD1 LEU 24 2HD1 LEU 24 50.526 52.201 64.183 175 3HD1 LEU 24 3HD1 LEU 24 49.556 51.947 65.720 176 1HD2 LEU 24 1HD2 LEU 24 53.174 52.893 64.763 177 2HD2 LEU 24 2HD2 LEU 24 52.970 53.627 66.379 178 3HD2 LEU 24 3HD2 LEU 24 51.691 53.866 65.094 179 H ASP 25 H ASP 25 52.294 49.140 69.791 180 HA ASP 25 HA ASP 25 52.120 46.763 68.188 181 1HB ASP 25 2HB ASP 25 52.772 47.342 70.779 182 2HB ASP 25 1HB ASP 25 51.040 46.858 70.992 183 H ILE 26 H ILE 26 50.567 47.177 66.692 184 HA ILE 26 HA ILE 26 47.799 47.435 67.555 185 HB ILE 26 HB ILE 26 48.932 46.519 64.798 186 1HG1 ILE 26 2HG1 ILE 26 49.828 48.680 65.139 187 2HG1 ILE 26 1HG1 ILE 26 48.424 48.770 64.040 188 1HG2 ILE 26 1HG2 ILE 26 46.148 47.445 65.867 189 2HG2 ILE 26 2HG2 ILE 26 46.580 46.067 64.734 190 3HG2 ILE 26 3HG2 ILE 26 46.709 47.835 64.192 191 1HD1 ILE 26 1HD1 ILE 26 47.122 49.006 66.549 192 2HD1 ILE 26 2HD1 ILE 26 47.532 50.432 65.555 193 3HD1 ILE 26 3HD1 ILE 26 48.647 49.869 66.863 194 H ASP 27 H ASP 27 49.617 45.034 65.788 195 HA ASP 27 HA ASP 27 49.091 42.806 67.365 196 1HB ASP 27 2HB ASP 27 46.691 43.278 66.225 197 2HB ASP 27 1HB ASP 27 47.499 42.468 64.768 198 H PHE 28 H PHE 28 49.505 40.621 65.901 199 HA PHE 28 HA PHE 28 51.962 41.257 64.525 200 1HB PHE 28 2HB PHE 28 52.014 39.233 65.775 201 2HB PHE 28 1HB PHE 28 50.300 38.806 65.246 202 HD1 PHE 28 HD1 PHE 28 53.825 38.227 64.677 203 HD2 PHE 28 HD2 PHE 28 49.949 38.143 62.861 204 HE1 PHE 28 HE1 PHE 28 54.697 36.689 62.876 205 HE2 PHE 28 HE2 PHE 28 50.761 36.610 61.059 206 HZ PHE 28 HZ PHE 28 53.167 35.898 61.101 207 H ALA 29 H ALA 29 48.667 40.733 63.536 208 HA ALA 29 HA ALA 29 49.183 39.911 60.713 209 1HB ALA 29 1HB ALA 29 46.985 39.383 61.637 210 2HB ALA 29 2HB ALA 29 46.751 40.861 60.622 211 3HB ALA 29 3HB ALA 29 46.917 41.017 62.469 212 H THR 30 H THR 30 48.822 42.840 62.527 213 HA THR 30 HA THR 30 48.203 44.697 60.541 214 HB THR 30 HB THR 30 50.037 45.221 62.919 215 HG1 THR 30 1HG THR 30 47.238 45.104 62.882 216 1HG2 THR 30 1HG2 THR 30 47.620 46.948 61.976 217 2HG2 THR 30 2HG2 THR 30 49.218 47.091 61.113 218 3HG2 THR 30 3HG2 THR 30 49.147 47.419 62.889 219 H ARG 31 H ARG 31 51.368 43.779 61.711 220 HA ARG 31 HA ARG 31 52.800 45.526 59.860 221 1HB ARG 31 2HB ARG 31 54.383 45.178 61.464 222 2HB ARG 31 1HB ARG 31 53.331 43.971 62.230 223 1HG ARG 31 2HG ARG 31 55.167 43.160 59.850 224 2HG ARG 31 1HG ARG 31 55.613 43.025 61.628 225 1HD ARG 31 2HD ARG 31 52.932 42.040 61.206 226 2HD ARG 31 1HD ARG 31 53.937 41.255 59.939 227 HE ARG 31 HE ARG 31 54.033 40.729 62.777 228 1HH1 ARG 31 1HH1 ARG 31 56.072 41.162 59.876 229 2HH1 ARG 31 2HH1 ARG 31 57.370 40.096 60.487 230 1HH2 ARG 31 1HH2 ARG 31 55.846 39.271 63.504 231 2HH2 ARG 31 2HH2 ARG 31 57.253 39.055 62.474 232 H LYS 32 H LYS 32 51.622 42.173 59.679 233 HA LYS 32 HA LYS 32 53.398 41.643 57.442 234 1HB LYS 32 2HB LYS 32 52.949 39.607 58.313 235 2HB LYS 32 1HB LYS 32 51.497 40.274 59.193 236 1HG LYS 32 2HG LYS 32 50.629 38.549 57.736 237 2HG LYS 32 1HG LYS 32 50.154 40.054 56.944 238 1HD LYS 32 2HD LYS 32 52.715 39.757 55.867 239 2HD LYS 32 1HD LYS 32 52.197 38.054 56.044 240 1HE LYS 32 2HE LYS 32 50.325 40.141 54.743 241 2HE LYS 32 1HE LYS 32 51.384 39.028 53.792 242 1HZ LYS 32 1HZ LYS 32 48.905 38.404 54.546 243 2HZ LYS 32 2HZ LYS 32 49.745 37.778 55.867 244 3HZ LYS 32 3HZ LYS 32 50.161 37.341 54.324 245 H ILE 33 H ILE 33 50.300 43.006 58.103 246 HA ILE 33 HA ILE 33 49.285 42.591 55.373 247 HB ILE 33 HB ILE 33 48.502 44.360 57.756 248 1HG1 ILE 33 2HG1 ILE 33 46.738 42.941 58.099 249 2HG1 ILE 33 1HG1 ILE 33 46.261 43.096 56.346 250 1HG2 ILE 33 1HG2 ILE 33 46.486 45.085 56.084 251 2HG2 ILE 33 2HG2 ILE 33 47.711 44.672 54.817 252 3HG2 ILE 33 3HG2 ILE 33 48.008 46.012 56.023 253 1HD1 ILE 33 1HD1 ILE 33 47.850 41.256 55.715 254 2HD1 ILE 33 2HD1 ILE 33 46.891 40.743 57.179 255 3HD1 ILE 33 3HD1 ILE 33 48.588 41.346 57.370 256 H ALA 34 H ALA 34 50.567 45.334 57.265 257 HA ALA 34 HA ALA 34 50.574 47.349 55.157 258 1HB ALA 34 1HB ALA 34 52.770 47.339 57.251 259 2HB ALA 34 2HB ALA 34 51.083 47.204 57.866 260 3HB ALA 34 3HB ALA 34 51.534 48.628 56.898 261 H VAL 35 H VAL 35 52.710 44.693 55.951 262 HA VAL 35 HA VAL 35 55.187 45.519 54.950 263 HB VAL 35 HB VAL 35 53.705 42.931 55.324 264 1HG1 VAL 35 1HG1 VAL 35 54.547 42.463 53.078 265 2HG1 VAL 35 2HG1 VAL 35 55.729 41.673 54.174 266 3HG1 VAL 35 3HG1 VAL 35 56.135 43.278 53.436 267 1HG2 VAL 35 1HG2 VAL 35 56.603 42.973 56.011 268 2HG2 VAL 35 2HG2 VAL 35 55.103 42.590 56.937 269 3HG2 VAL 35 3HG2 VAL 35 55.650 44.352 56.704 270 H ARG 36 H ARG 36 52.490 44.111 53.336 271 HA ARG 36 HA ARG 36 53.854 44.315 50.668 272 1HB ARG 36 2HB ARG 36 52.144 42.832 49.822 273 2HB ARG 36 1HB ARG 36 52.930 42.137 51.343 274 1HG ARG 36 2HG ARG 36 50.507 43.727 51.929 275 2HG ARG 36 1HG ARG 36 50.100 42.364 50.810 276 1HD ARG 36 2HD ARG 36 51.974 41.674 52.977 277 2HD ARG 36 1HD ARG 36 50.350 42.165 53.596 278 HE ARG 36 HE ARG 36 50.964 39.802 51.928 279 1HH1 ARG 36 1HH1 ARG 36 48.482 41.938 53.256 280 2HH1 ARG 36 2HH1 ARG 36 47.167 40.751 53.013 281 1HH2 ARG 36 1HH2 ARG 36 49.183 38.250 51.619 282 2HH2 ARG 36 2HH2 ARG 36 47.568 38.725 52.128 283 H LEU 37 H LEU 37 51.290 45.597 52.569 284 HA LEU 37 HA LEU 37 49.588 46.587 50.406 285 1HB LEU 37 2HB LEU 37 49.862 46.803 53.388 286 2HB LEU 37 1HB LEU 37 49.294 48.340 52.552 287 HG LEU 37 HG LEU 37 47.540 46.689 53.308 288 1HD1 LEU 37 1HD1 LEU 37 46.630 47.099 50.554 289 2HD1 LEU 37 2HD1 LEU 37 47.883 48.328 50.895 290 3HD1 LEU 37 3HD1 LEU 37 46.436 48.191 52.001 291 1HD2 LEU 37 1HD2 LEU 37 48.196 45.171 50.650 292 2HD2 LEU 37 2HD2 LEU 37 47.032 44.772 51.994 293 3HD2 LEU 37 3HD2 LEU 37 48.848 44.725 52.263 294 H THR 38 H THR 38 50.143 47.769 48.911 295 HA THR 38 HA THR 38 52.089 49.960 49.369 296 HB THR 38 HB THR 38 51.798 49.914 46.727 297 HG1 THR 38 1HG THR 38 50.124 48.722 46.379 298 1HG2 THR 38 1HG2 THR 38 53.231 47.861 46.446 299 2HG2 THR 38 2HG2 THR 38 52.761 47.238 48.078 300 3HG2 THR 38 3HG2 THR 38 53.812 48.721 47.925 301 H GLN 39 H GLN 39 50.346 50.904 50.792 302 HA GLN 39 HA GLN 39 48.074 51.894 49.378 303 1HB GLN 39 2HB GLN 39 47.635 52.932 51.628 304 2HB GLN 39 1HB GLN 39 48.411 51.286 51.871 305 1HG GLN 39 2HG GLN 39 50.643 52.574 51.713 306 2HG GLN 39 1HG GLN 39 49.656 54.070 52.074 307 1HE2 GLN 39 2HE2 GLN 39 51.227 53.916 53.906 308 2HE2 GLN 39 1HE2 GLN 39 50.656 53.115 55.356 309 H THR 40 H THR 40 47.443 54.074 49.704 310 HA THR 40 HA THR 40 49.352 55.957 48.309 311 HB THR 40 HB THR 40 46.274 56.155 48.452 312 HG1 THR 40 1HG THR 40 47.723 54.352 47.177 313 1HG2 THR 40 1HG2 THR 40 46.660 57.478 46.368 314 2HG2 THR 40 2HG2 THR 40 48.466 57.179 46.517 315 3HG2 THR 40 3HG2 THR 40 47.555 58.225 47.723 316 H LYS 41 H LYS 41 49.568 57.887 48.733 317 HA LYS 41 HA LYS 41 48.135 59.062 51.117 318 1HB LYS 41 2HB LYS 41 50.421 57.798 51.850 319 2HB LYS 41 1HB LYS 41 51.232 59.141 50.907 320 1HG LYS 41 2HG LYS 41 50.087 60.772 52.485 321 2HG LYS 41 1HG LYS 41 49.204 59.411 53.235 322 1HD LYS 41 2HD LYS 41 51.240 60.137 54.558 323 2HD LYS 41 1HD LYS 41 51.645 58.490 53.851 324 1HE LYS 41 2HE LYS 41 52.820 59.622 52.017 325 2HE LYS 41 1HE LYS 41 52.364 61.246 52.782 326 1HZ LYS 41 1HZ LYS 41 54.191 59.101 53.825 327 2HZ LYS 41 2HZ LYS 41 53.551 60.324 54.779 328 3HZ LYS 41 3HZ LYS 41 54.528 60.728 53.505 329 H ILE 42 H ILE 42 48.626 61.354 51.398 330 HA ILE 42 HA ILE 42 50.291 62.636 49.383 331 HB ILE 42 HB ILE 42 48.683 62.138 47.673 332 1HG1 ILE 42 2HG1 ILE 42 47.662 64.815 48.747 333 2HG1 ILE 42 1HG1 ILE 42 49.199 64.557 47.841 334 1HG2 ILE 42 1HG2 ILE 42 46.806 61.184 48.494 335 2HG2 ILE 42 2HG2 ILE 42 46.128 62.798 48.368 336 3HG2 ILE 42 3HG2 ILE 42 46.777 62.191 49.984 337 1HD1 ILE 42 1HD1 ILE 42 46.658 65.081 46.689 338 2HD1 ILE 42 2HD1 ILE 42 46.719 63.278 46.599 339 3HD1 ILE 42 3HD1 ILE 42 48.006 64.265 45.781 340 H ILE 43 H ILE 43 51.113 63.979 50.609 341 HA ILE 43 HA ILE 43 49.720 65.550 52.676 342 HB ILE 43 HB ILE 43 52.416 65.748 51.302 343 1HG1 ILE 43 2HG1 ILE 43 52.002 64.145 53.901 344 2HG1 ILE 43 1HG1 ILE 43 51.708 63.292 52.327 345 1HG2 ILE 43 1HG2 ILE 43 52.988 66.291 53.905 346 2HG2 ILE 43 2HG2 ILE 43 51.195 66.595 54.013 347 3HG2 ILE 43 3HG2 ILE 43 52.222 67.539 52.837 348 1HD1 ILE 43 1HD1 ILE 43 54.099 64.951 52.314 349 2HD1 ILE 43 2HD1 ILE 43 54.021 63.109 52.073 350 3HD1 ILE 43 3HD1 ILE 43 54.187 63.797 53.718 351 H VAL 44 H VAL 44 50.044 67.824 52.815 352 HA VAL 44 HA VAL 44 50.548 69.369 50.368 353 HB VAL 44 HB VAL 44 48.407 68.268 49.886 354 1HG1 VAL 44 1HG1 VAL 44 46.545 68.118 51.173 355 2HG1 VAL 44 2HG1 VAL 44 46.837 69.779 51.889 356 3HG1 VAL 44 3HG1 VAL 44 47.813 68.367 52.446 357 1HG2 VAL 44 1HG2 VAL 44 46.882 70.568 49.712 358 2HG2 VAL 44 2HG2 VAL 44 48.414 70.458 48.765 359 3HG2 VAL 44 3HG2 VAL 44 48.410 71.376 50.285 360 H GLN 45 H GLN 45 51.797 70.756 51.518 361 HA GLN 45 HA GLN 45 50.378 72.242 53.689 362 1HB GLN 45 2HB GLN 45 52.440 72.548 54.671 363 2HB GLN 45 1HB GLN 45 52.613 70.834 54.090 364 1HG GLN 45 2HG GLN 45 54.587 71.585 53.175 365 2HG GLN 45 1HG GLN 45 53.385 72.299 51.889 366 1HE2 GLN 45 1HE2 GLN 45 54.623 74.119 51.483 367 2HE2 GLN 45 2HE2 GLN 45 54.995 75.360 52.882 368 H ASP 46 H ASP 46 50.381 74.160 54.038 369 HA ASP 46 HA ASP 46 50.988 75.863 51.625 370 1HB ASP 46 2HB ASP 46 48.873 76.600 53.771 371 2HB ASP 46 1HB ASP 46 48.935 77.006 51.953 372 H GLY 47 H GLY 47 51.956 75.186 54.577 373 1HA GLY 47 1HA GLY 47 53.921 76.432 55.485 374 2HA GLY 47 2HA GLY 47 53.088 78.001 55.045 375 H ASP 48 H ASP 48 53.713 75.592 57.306 376 HA ASP 48 HA ASP 48 53.295 75.500 59.598 377 1HB ASP 48 2HB ASP 48 53.278 78.162 59.285 378 2HB ASP 48 1HB ASP 48 51.418 77.967 59.323 379 H ASN 49 H ASN 49 51.410 74.875 57.324 380 HA ASN 49 HA ASN 49 49.489 73.445 59.080 381 1HB ASN 49 2HB ASN 49 47.715 74.742 57.187 382 2HB ASN 49 1HB ASN 49 47.744 74.829 59.046 383 1HD2 ASN 49 1HD2 ASN 49 48.921 76.098 56.061 384 2HD2 ASN 49 2HD2 ASN 49 49.305 77.811 56.794 385 H PHE 50 H PHE 50 49.940 71.569 58.255 386 HA PHE 50 HA PHE 50 49.142 71.000 55.409 387 1HB PHE 50 2HB PHE 50 51.042 69.723 54.881 388 2HB PHE 50 1HB PHE 50 51.734 71.086 55.900 389 HD1 PHE 50 HD1 PHE 50 50.553 67.459 56.292 390 HD2 PHE 50 HD2 PHE 50 52.798 70.842 57.756 391 HE1 PHE 50 HE1 PHE 50 51.535 66.048 58.062 392 HE2 PHE 50 HE2 PHE 50 53.768 69.405 59.529 393 HZ PHE 50 HZ PHE 50 53.143 67.054 59.668 394 H LYS 51 H LYS 51 48.903 68.667 54.795 395 HA LYS 51 HA LYS 51 48.287 67.015 57.050 396 1HB LYS 51 2HB LYS 51 46.288 68.174 57.453 397 2HB LYS 51 1HB LYS 51 46.093 68.704 55.719 398 1HG LYS 51 2HG LYS 51 45.696 65.697 56.321 399 2HG LYS 51 1HG LYS 51 44.436 66.934 56.775 400 1HD LYS 51 2HD LYS 51 44.140 67.643 54.664 401 2HD LYS 51 1HD LYS 51 45.803 67.112 54.073 402 1HE LYS 51 2HE LYS 51 45.002 64.770 54.517 403 2HE LYS 51 1HE LYS 51 43.260 65.432 54.643 404 1HZ LYS 51 1HZ LYS 51 43.296 65.269 52.404 405 2HZ LYS 51 2HZ LYS 51 44.876 64.814 52.369 406 3HZ LYS 51 3HZ LYS 51 44.467 66.480 52.394 407 H THR 52 H THR 52 47.711 65.021 56.666 408 HA THR 52 HA THR 52 47.663 64.112 53.774 409 HB THR 52 HB THR 52 49.966 64.390 54.231 410 HG1 THR 52 1HG THR 52 49.415 62.653 53.239 411 1HG2 THR 52 1HG2 THR 52 49.307 63.140 56.999 412 2HG2 THR 52 2HG2 THR 52 50.381 64.533 56.609 413 3HG2 THR 52 3HG2 THR 52 50.972 62.894 56.284 414 H LYS 53 H LYS 53 47.128 61.900 53.520 415 HA LYS 53 HA LYS 53 46.495 60.348 55.992 416 1HB LYS 53 2HB LYS 53 44.132 59.908 54.343 417 2HB LYS 53 1HB LYS 53 44.259 60.705 55.985 418 1HG LYS 53 2HG LYS 53 43.088 62.238 54.617 419 2HG LYS 53 1HG LYS 53 44.822 62.829 54.539 420 1HD LYS 53 2HD LYS 53 44.806 62.816 52.391 421 2HD LYS 53 1HD LYS 53 44.672 60.995 52.455 422 1HE LYS 53 2HE LYS 53 42.009 61.579 52.744 423 2HE LYS 53 1HE LYS 53 42.536 63.126 51.887 424 1HZ LYS 53 1HZ LYS 53 42.805 61.986 50.051 425 2HZ LYS 53 2HZ LYS 53 42.076 60.615 50.690 426 3HZ LYS 53 3HZ LYS 53 43.694 60.758 50.743 427 H THR 54 H THR 54 46.178 58.291 55.706 428 HA THR 54 HA THR 54 47.581 57.177 53.321 429 HB THR 54 HB THR 54 47.119 55.048 54.997 430 HG1 THR 54 1HG THR 54 47.694 57.385 56.408 431 1HG2 THR 54 1HG2 THR 54 49.271 55.504 53.790 432 2HG2 THR 54 2HG2 THR 54 49.706 55.504 55.554 433 3HG2 THR 54 3HG2 THR 54 49.511 57.048 54.666 434 H ASN 55 H ASN 55 46.763 55.335 52.237 435 HA ASN 55 HA ASN 55 43.805 54.932 52.527 436 1HB ASN 55 2HB ASN 55 45.231 55.309 49.874 437 2HB ASN 55 1HB ASN 55 43.399 54.963 50.161 438 1HD2 ASN 55 2HD2 ASN 55 42.466 56.417 51.710 439 2HD2 ASN 55 1HD2 ASN 55 42.881 58.249 51.563 440 H SER 56 H SER 56 44.274 53.197 53.632 441 HA SER 56 HA SER 56 45.006 50.682 52.083 442 1HB SER 56 2HB SER 56 46.600 50.577 53.811 443 2HB SER 56 1HB SER 56 45.604 51.763 54.834 444 HG SER 56 HG SER 56 45.810 49.447 55.402 445 H THR 57 H THR 57 44.003 48.824 52.888 446 HA THR 57 HA THR 57 41.061 49.106 53.033 447 HB THR 57 HB THR 57 40.992 46.779 52.463 448 HG1 THR 57 1HG THR 57 43.605 46.161 52.309 449 1HG2 THR 57 1HG2 THR 57 41.927 48.634 50.757 450 2HG2 THR 57 2HG2 THR 57 41.908 46.886 50.290 451 3HG2 THR 57 3HG2 THR 57 43.447 47.608 50.846 452 H PHE 58 H PHE 58 43.729 47.581 54.572 453 HA PHE 58 HA PHE 58 42.494 46.488 56.875 454 1HB PHE 58 2HB PHE 58 45.122 46.490 56.074 455 2HB PHE 58 1HB PHE 58 45.209 47.816 57.260 456 HD1 PHE 58 HD1 PHE 58 43.942 44.188 57.034 457 HD2 PHE 58 HD2 PHE 58 45.698 47.319 59.388 458 HE1 PHE 58 HE1 PHE 58 44.255 42.587 58.890 459 HE2 PHE 58 HE2 PHE 58 46.015 45.678 61.259 460 HZ PHE 58 HZ PHE 58 45.291 43.320 61.008 461 H ARG 59 H ARG 59 44.220 49.556 56.712 462 HA ARG 59 HA ARG 59 42.161 50.711 58.703 463 1HB ARG 59 2HB ARG 59 45.102 51.086 59.269 464 2HB ARG 59 1HB ARG 59 43.658 51.492 60.345 465 1HG ARG 59 2HG ARG 59 44.278 48.579 59.590 466 2HG ARG 59 1HG ARG 59 45.105 49.486 60.971 467 1HD ARG 59 2HD ARG 59 43.104 49.802 62.139 468 2HD ARG 59 1HD ARG 59 42.099 49.517 60.679 469 HE ARG 59 HE ARG 59 43.807 47.207 61.421 470 1HH1 ARG 59 1HH1 ARG 59 40.521 48.805 61.870 471 2HH1 ARG 59 2HH1 ARG 59 39.814 47.256 62.322 472 1HH2 ARG 59 1HH2 ARG 59 42.649 45.324 62.018 473 2HH2 ARG 59 2HH2 ARG 59 40.937 45.397 62.420 474 H ASN 60 H ASN 60 41.913 52.643 58.842 475 HA ASN 60 HA ASN 60 43.323 54.282 56.747 476 1HB ASN 60 2HB ASN 60 40.803 54.311 56.430 477 2HB ASN 60 1HB ASN 60 40.602 54.825 58.228 478 1HD2 ASN 60 1HD2 ASN 60 42.576 55.646 55.333 479 2HD2 ASN 60 2HD2 ASN 60 42.270 57.387 55.368 480 H TYR 61 H TYR 61 44.404 55.965 57.241 481 HA TYR 61 HA TYR 61 44.272 56.909 60.103 482 1HB TYR 61 2HB TYR 61 45.835 55.011 60.035 483 2HB TYR 61 1HB TYR 61 46.745 55.807 58.677 484 HD1 TYR 61 HD1 TYR 61 45.783 56.179 62.281 485 HD2 TYR 61 HD2 TYR 61 48.433 57.421 59.143 486 HE1 TYR 61 HE1 TYR 61 47.106 57.357 63.950 487 HE2 TYR 61 HE2 TYR 61 49.795 58.617 60.822 488 HH TYR 61 HH TYR 61 48.733 59.174 64.038 489 H ASP 62 H ASP 62 45.594 58.804 60.515 490 HA ASP 62 HA ASP 62 46.638 60.370 58.241 491 1HB ASP 62 2HB ASP 62 44.987 62.264 58.572 492 2HB ASP 62 1HB ASP 62 44.131 60.681 58.076 493 H LEU 63 H LEU 63 47.747 62.276 58.700 494 HA LEU 63 HA LEU 63 48.538 62.274 61.596 495 1HB LEU 63 2HB LEU 63 50.022 62.547 59.115 496 2HB LEU 63 1HB LEU 63 50.020 64.155 59.966 497 HG LEU 63 HG LEU 63 51.995 62.637 60.677 498 1HD1 LEU 63 1HD1 LEU 63 51.358 62.713 63.223 499 2HD1 LEU 63 2HD1 LEU 63 49.834 63.494 62.659 500 3HD1 LEU 63 3HD1 LEU 63 51.449 64.258 62.288 501 1HD2 LEU 63 1HD2 LEU 63 51.568 60.457 60.899 502 2HD2 LEU 63 2HD2 LEU 63 49.768 60.752 60.781 503 3HD2 LEU 63 3HD2 LEU 63 50.562 60.887 62.401 504 H ASP 64 H ASP 64 47.746 64.547 58.922 505 HA ASP 64 HA ASP 64 47.281 66.849 59.049 506 1HB ASP 64 2HB ASP 64 45.187 65.664 58.882 507 2HB ASP 64 1HB ASP 64 45.203 65.369 60.755 508 H PHE 65 H PHE 65 49.213 67.415 60.166 509 HA PHE 65 HA PHE 65 48.531 68.630 62.823 510 1HB PHE 65 2HB PHE 65 49.833 66.574 63.386 511 2HB PHE 65 1HB PHE 65 50.885 66.895 61.942 512 HD1 PHE 65 HD1 PHE 65 49.699 68.765 65.080 513 HD2 PHE 65 HD2 PHE 65 52.897 67.609 62.474 514 HE1 PHE 65 HE1 PHE 65 51.189 69.950 66.505 515 HE2 PHE 65 HE2 PHE 65 54.487 68.820 63.924 516 HZ PHE 65 HZ PHE 65 53.706 69.995 65.933 517 H THR 66 H THR 66 49.584 70.513 63.136 518 HA THR 66 HA THR 66 50.372 72.178 60.821 519 HB THR 66 HB THR 66 51.312 73.460 63.054 520 HG1 THR 66 1HG THR 66 51.010 71.687 64.273 521 1HG2 THR 66 1HG2 THR 66 48.927 74.326 63.530 522 2HG2 THR 66 2HG2 THR 66 48.274 72.998 62.461 523 3HG2 THR 66 3HG2 THR 66 49.299 74.327 61.783 524 H VAL 67 H VAL 67 52.413 73.623 61.502 525 HA VAL 67 HA VAL 67 54.633 71.521 61.441 526 HB VAL 67 HB VAL 67 54.803 74.350 60.281 527 1HG1 VAL 67 1HG1 VAL 67 56.858 72.620 60.787 528 2HG1 VAL 67 2HG1 VAL 67 56.781 73.649 59.292 529 3HG1 VAL 67 3HG1 VAL 67 56.245 71.873 59.243 530 1HG2 VAL 67 1HG2 VAL 67 54.587 72.958 57.982 531 2HG2 VAL 67 2HG2 VAL 67 53.087 73.389 58.939 532 3HG2 VAL 67 3HG2 VAL 67 53.849 71.736 59.077 533 H GLY 68 H GLY 68 54.614 71.550 63.672 534 1HA GLY 68 1HA GLY 68 56.318 72.014 65.305 535 2HA GLY 68 2HA GLY 68 56.444 73.763 64.646 536 H VAL 69 H VAL 69 53.330 73.212 64.744 537 HA VAL 69 HA VAL 69 53.154 74.536 67.490 538 HB VAL 69 HB VAL 69 51.072 73.991 65.250 539 1HG1 VAL 69 1HG1 VAL 69 50.796 75.205 67.913 540 2HG1 VAL 69 2HG1 VAL 69 49.520 74.526 66.873 541 3HG1 VAL 69 3HG1 VAL 69 50.118 76.204 66.519 542 1HG2 VAL 69 1HG2 VAL 69 53.187 76.055 65.521 543 2HG2 VAL 69 2HG2 VAL 69 51.587 76.827 65.400 544 3HG2 VAL 69 3HG2 VAL 69 52.185 75.652 64.081 545 H GLU 70 H GLU 70 53.722 72.860 68.451 546 HA GLU 70 HA GLU 70 53.045 70.277 68.422 547 1HB GLU 70 2HB GLU 70 53.065 72.015 70.963 548 2HB GLU 70 1HB GLU 70 52.927 70.181 70.913 549 1HG GLU 70 2HG GLU 70 54.979 69.862 69.745 550 2HG GLU 70 1HG GLU 70 55.244 71.702 69.634 551 H PHE 71 H PHE 71 51.667 68.929 68.902 552 HA PHE 71 HA PHE 71 48.963 69.860 69.877 553 1HB PHE 71 2HB PHE 71 49.393 69.978 67.158 554 2HB PHE 71 1HB PHE 71 48.756 68.279 67.331 555 HD1 PHE 71 HD1 PHE 71 48.019 71.840 67.365 556 HD2 PHE 71 HD2 PHE 71 46.560 67.993 68.484 557 HE1 PHE 71 HE1 PHE 71 45.751 72.753 67.571 558 HE2 PHE 71 HE2 PHE 71 44.237 68.855 68.703 559 HZ PHE 71 HZ PHE 71 43.850 71.358 68.221 560 H ASP 72 H ASP 72 47.745 68.374 70.938 561 HA ASP 72 HA ASP 72 48.915 65.720 71.281 562 1HB ASP 72 2HB ASP 72 46.279 67.098 72.239 563 2HB ASP 72 1HB ASP 72 46.840 65.444 72.802 564 H GLU 73 H GLU 73 48.670 64.615 69.357 565 HA GLU 73 HA GLU 73 46.029 64.440 67.965 566 1HB GLU 73 2HB GLU 73 48.891 63.552 67.462 567 2HB GLU 73 1HB GLU 73 47.584 62.682 66.572 568 1HG GLU 73 2HG GLU 73 47.330 65.648 66.879 569 2HG GLU 73 1HG GLU 73 48.591 64.995 65.636 570 H HIS 74 H HIS 74 45.787 62.179 67.143 571 HA HIS 74 HA HIS 74 45.953 60.126 69.264 572 1HB HIS 74 2HB HIS 74 43.517 61.722 68.852 573 2HB HIS 74 1HB HIS 74 43.217 60.080 68.157 574 HD1 HIS 74 HD1 HIS 74 43.771 61.829 71.470 575 HD2 HIS 74 HD2 HIS 74 43.404 57.962 69.827 576 HE1 HIS 74 HE1 HIS 74 43.408 60.182 73.487 577 HE2 HIS 74 HE2 HIS 74 43.191 57.911 72.406 578 H THR 75 H THR 75 45.626 58.129 68.717 579 HA THR 75 HA THR 75 45.971 57.517 65.814 580 HB THR 75 HB THR 75 46.709 55.273 66.812 581 HG1 THR 75 1HG THR 75 47.328 55.829 69.141 582 1HG2 THR 75 1HG2 THR 75 47.964 57.988 67.755 583 2HG2 THR 75 2HG2 THR 75 48.468 57.076 66.301 584 3HG2 THR 75 3HG2 THR 75 48.897 56.442 67.963 585 H LYS 76 H LYS 76 43.331 57.987 67.319 586 HA LYS 76 HA LYS 76 41.883 55.543 67.764 587 1HB LYS 76 2HB LYS 76 40.834 58.150 66.473 588 2HB LYS 76 1HB LYS 76 39.875 56.739 67.122 589 1HG LYS 76 2HG LYS 76 40.840 57.036 69.344 590 2HG LYS 76 1HG LYS 76 41.937 58.349 68.667 591 1HD LYS 76 2HD LYS 76 40.382 59.920 68.807 592 2HD LYS 76 1HD LYS 76 39.127 58.866 67.970 593 1HE LYS 76 2HE LYS 76 38.087 58.292 69.983 594 2HE LYS 76 1HE LYS 76 39.665 58.045 70.810 595 1HZ LYS 76 1HZ LYS 76 38.032 60.384 70.844 596 2HZ LYS 76 2HZ LYS 76 39.644 60.693 70.559 597 3HZ LYS 76 3HZ LYS 76 39.143 59.869 71.930 598 H GLY 77 H GLY 77 40.848 54.170 66.723 599 1HA GLY 77 1HA GLY 77 39.813 53.230 64.745 600 2HA GLY 77 2HA GLY 77 41.016 54.112 63.676 601 H LEU 78 H LEU 78 43.243 53.813 64.837 602 HA LEU 78 HA LEU 78 43.991 51.124 63.884 603 1HB LEU 78 2HB LEU 78 45.190 53.683 64.286 604 2HB LEU 78 1HB LEU 78 46.238 52.464 65.165 605 HG LEU 78 HG LEU 78 45.086 51.940 62.407 606 1HD1 LEU 78 1HD1 LEU 78 46.614 54.258 62.939 607 2HD1 LEU 78 2HD1 LEU 78 46.218 53.496 61.297 608 3HD1 LEU 78 3HD1 LEU 78 47.781 53.100 62.165 609 1HD2 LEU 78 1HD2 LEU 78 46.454 50.229 63.818 610 2HD2 LEU 78 2HD2 LEU 78 47.907 51.316 63.546 611 3HD2 LEU 78 3HD2 LEU 78 47.106 50.522 62.153 612 H ASP 79 H ASP 79 45.212 52.727 66.876 613 HA ASP 79 HA ASP 79 44.931 50.054 68.199 614 1HB ASP 79 2HB ASP 79 46.872 50.574 69.397 615 2HB ASP 79 1HB ASP 79 47.284 51.166 67.630 616 H GLY 80 H GLY 80 44.683 53.582 68.555 617 1HA GLY 80 1HA GLY 80 43.160 54.801 69.701 618 2HA GLY 80 2HA GLY 80 42.608 53.252 70.581 619 H ARG 81 H ARG 81 45.555 55.014 70.130 620 HA ARG 81 HA ARG 81 45.654 55.461 73.127 621 1HB ARG 81 2HB ARG 81 47.976 54.612 71.240 622 2HB ARG 81 1HB ARG 81 48.341 55.698 72.671 623 1HG ARG 81 2HG ARG 81 47.997 53.982 74.126 624 2HG ARG 81 1HG ARG 81 46.498 53.463 73.333 625 1HD ARG 81 2HD ARG 81 49.108 52.956 71.865 626 2HD ARG 81 1HD ARG 81 48.896 52.060 73.455 627 HE ARG 81 HE ARG 81 47.624 51.431 70.965 628 1HH1 ARG 81 1HH1 ARG 81 47.254 51.460 74.561 629 2HH1 ARG 81 2HH1 ARG 81 46.131 50.121 74.554 630 1HH2 ARG 81 1HH2 ARG 81 46.140 49.674 70.995 631 2HH2 ARG 81 2HH2 ARG 81 45.476 49.064 72.498 632 H ASN 82 H ASN 82 47.082 57.246 73.879 633 HA ASN 82 HA ASN 82 46.352 59.600 72.186 634 1HB ASN 82 2HB ASN 82 45.527 60.172 74.343 635 2HB ASN 82 1HB ASN 82 46.681 58.974 75.181 636 1HD2 ASN 82 2HD2 ASN 82 48.650 59.367 75.544 637 2HD2 ASN 82 1HD2 ASN 82 49.321 60.949 75.734 638 H VAL 83 H VAL 83 47.570 61.097 71.604 639 HA VAL 83 HA VAL 83 50.468 60.889 72.275 640 HB VAL 83 HB VAL 83 51.170 60.795 69.928 641 1HG1 VAL 83 1HG1 VAL 83 49.110 58.549 70.580 642 2HG1 VAL 83 2HG1 VAL 83 50.821 58.600 71.164 643 3HG1 VAL 83 3HG1 VAL 83 50.448 58.437 69.381 644 1HG2 VAL 83 1HG2 VAL 83 49.536 60.494 68.081 645 2HG2 VAL 83 2HG2 VAL 83 49.032 61.929 69.024 646 3HG2 VAL 83 3HG2 VAL 83 48.194 60.300 69.288 647 H LYS 84 H LYS 84 51.794 62.293 71.177 648 HA LYS 84 HA LYS 84 50.612 64.936 70.405 649 1HB LYS 84 2HB LYS 84 53.044 64.866 72.266 650 2HB LYS 84 1HB LYS 84 51.904 66.219 71.842 651 1HG LYS 84 2HG LYS 84 50.865 65.724 73.827 652 2HG LYS 84 1HG LYS 84 50.147 64.308 72.895 653 1HD LYS 84 2HD LYS 84 51.832 62.802 73.657 654 2HD LYS 84 1HD LYS 84 52.954 64.169 74.110 655 1HE LYS 84 2HE LYS 84 50.189 63.815 75.449 656 2HE LYS 84 1HE LYS 84 51.663 62.954 76.096 657 1HZ LYS 84 1HZ LYS 84 51.644 65.907 75.561 658 2HZ LYS 84 2HZ LYS 84 52.772 65.003 76.366 659 3HZ LYS 84 3HZ LYS 84 51.266 65.258 77.058 660 H THR 85 H THR 85 52.162 66.338 69.444 661 HA THR 85 HA THR 85 54.555 65.024 68.229 662 HB THR 85 HB THR 85 52.169 64.602 67.071 663 HG1 THR 85 1HG THR 85 53.381 63.651 65.884 664 1HG2 THR 85 1HG2 THR 85 52.387 67.302 66.373 665 2HG2 THR 85 2HG2 THR 85 51.851 66.109 65.146 666 3HG2 THR 85 3HG2 THR 85 53.621 66.673 65.233 667 H LEU 86 H LEU 86 55.553 66.201 66.668 668 HA LEU 86 HA LEU 86 55.394 69.136 66.699 669 1HB LEU 86 2HB LEU 86 56.525 68.751 68.897 670 2HB LEU 86 1HB LEU 86 57.682 67.601 67.998 671 HG LEU 86 HG LEU 86 57.654 70.485 67.001 672 1HD1 LEU 86 1HD1 LEU 86 58.979 69.403 69.618 673 2HD1 LEU 86 2HD1 LEU 86 57.500 70.479 69.607 674 3HD1 LEU 86 3HD1 LEU 86 59.090 71.065 68.914 675 1HD2 LEU 86 1HD2 LEU 86 60.228 69.635 67.429 676 2HD2 LEU 86 2HD2 LEU 86 59.226 69.215 65.925 677 3HD2 LEU 86 3HD2 LEU 86 59.449 68.052 67.310 678 H VAL 87 H VAL 87 56.067 69.883 64.931 679 HA VAL 87 HA VAL 87 58.052 68.352 63.243 680 HB VAL 87 HB VAL 87 55.383 69.695 62.478 681 1HG1 VAL 87 1HG1 VAL 87 56.718 70.664 60.837 682 2HG1 VAL 87 2HG1 VAL 87 56.185 69.108 60.095 683 3HG1 VAL 87 3HG1 VAL 87 57.841 69.199 60.787 684 1HG2 VAL 87 1HG2 VAL 87 56.503 67.107 61.297 685 2HG2 VAL 87 2HG2 VAL 87 54.775 67.433 61.770 686 3HG2 VAL 87 3HG2 VAL 87 56.040 66.964 62.986 687 H THR 88 H THR 88 59.488 69.328 62.224 688 HA THR 88 HA THR 88 59.645 72.313 61.974 689 HB THR 88 HB THR 88 62.032 70.601 62.943 690 HG1 THR 88 1HG THR 88 59.864 71.377 64.485 691 1HG2 THR 88 1HG2 THR 88 62.879 72.751 63.079 692 2HG2 THR 88 2HG2 THR 88 61.772 73.109 64.429 693 3HG2 THR 88 3HG2 THR 88 61.223 73.425 62.726 694 H TRP 89 H TRP 89 60.283 72.722 60.050 695 HA TRP 89 HA TRP 89 61.006 70.813 57.915 696 1HB TRP 89 2HB TRP 89 61.285 73.864 58.231 697 2HB TRP 89 1HB TRP 89 61.928 72.999 56.794 698 HD1 TRP 89 HD1 TRP 89 58.633 73.779 58.652 699 HE1 TRP 89 HE1 TRP 89 56.721 73.280 56.920 700 HE3 TRP 89 HE3 TRP 89 61.411 71.847 55.086 701 HZ2 TRP 89 HZ2 TRP 89 56.589 72.099 54.170 702 HZ3 TRP 89 HZ3 TRP 89 60.527 71.052 53.013 703 HH2 TRP 89 HH2 TRP 89 58.161 71.194 52.607 704 H GLU 90 H GLU 90 62.905 70.044 57.194 705 HA GLU 90 HA GLU 90 65.282 71.351 58.454 706 1HB GLU 90 2HB GLU 90 64.394 69.512 59.966 707 2HB GLU 90 1HB GLU 90 64.868 68.362 58.638 708 1HG GLU 90 2HG GLU 90 67.280 69.888 59.094 709 2HG GLU 90 1HG GLU 90 66.459 69.766 60.751 710 H GLY 91 H GLY 91 64.826 71.973 56.246 711 1HA GLY 91 1HA GLY 91 66.275 72.223 54.458 712 2HA GLY 91 2HA GLY 91 66.637 70.434 54.348 713 H ASN 92 H ASN 92 65.394 69.224 53.362 714 HA ASN 92 HA ASN 92 62.926 70.288 51.943 715 1HB ASN 92 2HB ASN 92 65.107 68.279 51.123 716 2HB ASN 92 1HB ASN 92 63.304 67.879 50.696 717 1HD2 ASN 92 1HD2 ASN 92 63.605 68.184 48.614 718 2HD2 ASN 92 2HD2 ASN 92 63.821 69.768 47.900 719 H THR 93 H THR 93 63.932 68.821 54.561 720 HA THR 93 HA THR 93 61.816 66.739 54.847 721 HB THR 93 HB THR 93 63.484 67.148 57.258 722 HG1 THR 93 1HG THR 93 64.880 66.138 55.070 723 1HG2 THR 93 1HG2 THR 93 62.427 64.871 55.537 724 2HG2 THR 93 2HG2 THR 93 62.809 64.909 57.296 725 3HG2 THR 93 3HG2 THR 93 64.112 64.579 56.143 726 H LEU 94 H LEU 94 61.182 66.669 57.293 727 HA LEU 94 HA LEU 94 60.310 69.126 58.609 728 1HB LEU 94 2HB LEU 94 57.821 68.575 58.335 729 2HB LEU 94 1HB LEU 94 58.693 69.219 56.876 730 HG LEU 94 HG LEU 94 59.072 66.363 56.962 731 1HD1 LEU 94 1HD1 LEU 94 56.495 66.145 56.036 732 2HD1 LEU 94 2HD1 LEU 94 56.175 67.235 57.406 733 3HD1 LEU 94 3HD1 LEU 94 57.019 65.635 57.745 734 1HD2 LEU 94 1HD2 LEU 94 58.057 66.557 54.647 735 2HD2 LEU 94 2HD2 LEU 94 59.438 67.708 55.021 736 3HD2 LEU 94 3HD2 LEU 94 57.685 68.247 55.022 737 H VAL 95 H VAL 95 61.820 67.505 59.611 738 HA VAL 95 HA VAL 95 61.542 65.229 60.828 739 HB VAL 95 HB VAL 95 61.986 67.922 62.273 740 1HG1 VAL 95 1HG1 VAL 95 61.832 66.455 64.135 741 2HG1 VAL 95 2HG1 VAL 95 63.588 66.142 63.736 742 3HG1 VAL 95 3HG1 VAL 95 62.239 65.074 63.132 743 1HG2 VAL 95 1HG2 VAL 95 63.571 67.858 60.597 744 2HG2 VAL 95 2HG2 VAL 95 63.672 66.026 60.582 745 3HG2 VAL 95 3HG2 VAL 95 64.550 66.915 61.878 746 H CYS 96 H CYS 96 59.557 64.365 61.369 747 HA CYS 96 HA CYS 96 58.061 65.731 63.558 748 1HB CYS 96 2HB CYS 96 56.674 65.127 61.436 749 2HB CYS 96 1HB CYS 96 57.227 63.480 61.551 750 HG CYS 96 HG CYS 96 54.602 64.450 62.561 751 H VAL 97 H VAL 97 57.541 64.558 65.210 752 HA VAL 97 HA VAL 97 58.513 61.883 65.870 753 HB VAL 97 HB VAL 97 59.437 63.548 68.006 754 1HG1 VAL 97 1HG1 VAL 97 60.405 61.343 66.858 755 2HG1 VAL 97 2HG1 VAL 97 61.673 62.541 67.420 756 3HG1 VAL 97 3HG1 VAL 97 61.164 62.458 65.664 757 1HG2 VAL 97 1HG2 VAL 97 59.302 65.454 66.435 758 2HG2 VAL 97 2HG2 VAL 97 60.429 64.553 65.308 759 3HG2 VAL 97 3HG2 VAL 97 61.011 65.105 66.956 760 H GLN 98 H GLN 98 56.969 61.040 66.710 761 HA GLN 98 HA GLN 98 54.868 62.407 68.262 762 1HB GLN 98 2HB GLN 98 55.093 59.956 66.820 763 2HB GLN 98 1HB GLN 98 55.118 59.371 68.546 764 1HG GLN 98 2HG GLN 98 52.758 59.303 67.971 765 2HG GLN 98 1HG GLN 98 52.943 60.892 68.816 766 1HE2 GLN 98 1HE2 GLN 98 51.275 59.468 66.624 767 2HE2 GLN 98 2HE2 GLN 98 51.204 60.666 65.330 768 H LYS 99 H LYS 99 54.011 61.923 70.080 769 HA LYS 99 HA LYS 99 55.872 60.937 72.278 770 1HB LYS 99 2HB LYS 99 55.348 63.670 71.689 771 2HB LYS 99 1HB LYS 99 54.153 63.281 72.928 772 1HG LYS 99 2HG LYS 99 56.276 64.188 73.876 773 2HG LYS 99 1HG LYS 99 56.067 62.527 74.513 774 1HD LYS 99 2HD LYS 99 58.441 63.120 73.654 775 2HD LYS 99 1HD LYS 99 57.666 61.680 72.794 776 1HE LYS 99 2HE LYS 99 57.157 63.070 70.850 777 2HE LYS 99 1HE LYS 99 57.505 64.571 71.761 778 1HZ LYS 99 1HZ LYS 99 59.849 63.497 71.913 779 2HZ LYS 99 2HZ LYS 99 59.327 64.266 70.502 780 3HZ LYS 99 3HZ LYS 99 59.307 62.594 70.588 781 H GLY 100 H GLY 100 54.773 60.765 74.291 782 1HA GLY 100 1HA GLY 100 52.711 60.447 75.609 783 2HA GLY 100 2HA GLY 100 51.766 60.522 74.091 784 H GLU 101 H GLU 101 54.475 58.840 75.365 785 HA GLU 101 HA GLU 101 54.820 56.668 76.134 786 1HB GLU 101 2HB GLU 101 52.198 56.270 75.951 787 2HB GLU 101 1HB GLU 101 52.524 55.659 74.295 788 1HG GLU 101 2HG GLU 101 53.513 53.772 74.974 789 2HG GLU 101 1HG GLU 101 54.325 54.572 76.471 790 H LYS 102 H LYS 102 54.789 58.153 73.190 791 HA LYS 102 HA LYS 102 55.970 55.897 71.690 792 1HB LYS 102 2HB LYS 102 54.905 58.708 71.133 793 2HB LYS 102 1HB LYS 102 56.340 58.182 70.133 794 1HG LYS 102 2HG LYS 102 54.521 57.366 68.875 795 2HG LYS 102 1HG LYS 102 55.080 55.905 69.798 796 1HD LYS 102 2HD LYS 102 53.355 56.773 71.656 797 2HD LYS 102 1HD LYS 102 52.629 57.608 70.247 798 1HE LYS 102 2HE LYS 102 52.531 55.369 68.952 799 2HE LYS 102 1HE LYS 102 53.339 54.650 70.404 800 1HZ LYS 102 1HZ LYS 102 51.385 54.794 71.575 801 2HZ LYS 102 2HZ LYS 102 50.787 54.553 70.042 802 3HZ LYS 102 3HZ LYS 102 50.724 56.060 70.647 803 H GLU 103 H GLU 103 56.966 59.235 72.030 804 HA GLU 103 HA GLU 103 58.909 60.314 72.342 805 1HB GLU 103 2HB GLU 103 60.028 57.624 73.456 806 2HB GLU 103 1HB GLU 103 60.611 59.288 73.803 807 1HG GLU 103 2HG GLU 103 58.316 59.809 74.786 808 2HG GLU 103 1HG GLU 103 58.103 57.920 74.805 809 H ASN 104 H ASN 104 58.678 57.909 70.167 810 HA ASN 104 HA ASN 104 61.194 58.684 68.981 811 1HB ASN 104 2HB ASN 104 60.712 55.951 70.319 812 2HB ASN 104 1HB ASN 104 61.785 55.937 68.839 813 1HD2 ASN 104 1HD2 ASN 104 63.225 57.796 68.762 814 2HD2 ASN 104 2HD2 ASN 104 64.234 57.998 70.373 815 H ARG 105 H ARG 105 58.305 58.870 68.313 816 HA ARG 105 HA ARG 105 58.357 57.044 65.911 817 1HB ARG 105 2HB ARG 105 56.397 56.450 67.463 818 2HB ARG 105 1HB ARG 105 55.796 58.122 67.198 819 1HG ARG 105 2HG ARG 105 55.964 57.790 64.695 820 2HG ARG 105 1HG ARG 105 56.191 56.013 65.063 821 1HD ARG 105 2HD ARG 105 53.995 55.729 65.207 822 2HD ARG 105 1HD ARG 105 54.087 56.654 66.732 823 HE ARG 105 HE ARG 105 52.920 58.373 65.642 824 1HH1 ARG 105 2HH1 ARG 105 54.691 56.402 63.241 825 2HH1 ARG 105 1HH1 ARG 105 54.035 57.351 61.860 826 1HH2 ARG 105 1HH2 ARG 105 52.099 59.623 63.609 827 2HH2 ARG 105 2HH2 ARG 105 52.662 59.050 62.088 828 H GLY 106 H GLY 106 59.734 58.356 65.278 829 1HA GLY 106 1HA GLY 106 58.467 60.842 63.970 830 2HA GLY 106 2HA GLY 106 60.231 60.732 64.395 831 H TRP 107 H TRP 107 59.368 61.569 62.170 832 HA TRP 107 HA TRP 107 60.657 59.593 60.401 833 1HB TRP 107 2HB TRP 107 58.780 60.680 58.544 834 2HB TRP 107 1HB TRP 107 58.796 59.019 59.251 835 HD1 TRP 107 HD1 TRP 107 57.428 59.124 61.915 836 HE1 TRP 107 HE1 TRP 107 55.266 60.312 62.588 837 HE3 TRP 107 HE3 TRP 107 57.420 62.420 58.104 838 HZ2 TRP 107 HZ2 TRP 107 53.882 62.358 61.529 839 HZ3 TRP 107 HZ3 TRP 107 55.551 64.039 57.997 840 HH2 TRP 107 HH2 TRP 107 53.844 63.953 59.719 841 H LYS 108 H LYS 108 61.338 60.026 58.543 842 HA LYS 108 HA LYS 108 62.131 62.872 57.930 843 1HB LYS 108 2HB LYS 108 63.820 60.270 57.442 844 2HB LYS 108 1HB LYS 108 64.376 62.032 57.229 845 1HG LYS 108 2HG LYS 108 63.366 61.281 59.950 846 2HG LYS 108 1HG LYS 108 64.925 60.477 59.442 847 1HD LYS 108 2HD LYS 108 66.004 62.371 60.070 848 2HD LYS 108 1HD LYS 108 65.280 63.155 58.585 849 1HE LYS 108 2HE LYS 108 64.750 64.409 60.779 850 2HE LYS 108 1HE LYS 108 63.228 63.657 60.033 851 1HZ LYS 108 1HZ LYS 108 63.794 63.413 62.522 852 2HZ LYS 108 2HZ LYS 108 64.801 62.214 62.075 853 3HZ LYS 108 3HZ LYS 108 63.154 62.103 61.681 854 H GLN 109 H GLN 109 60.238 62.651 56.997 855 HA GLN 109 HA GLN 109 59.969 61.248 54.401 856 1HB GLN 109 2HB GLN 109 58.187 62.129 55.940 857 2HB GLN 109 1HB GLN 109 58.499 63.811 55.230 858 1HG GLN 109 2HG GLN 109 56.980 63.069 53.609 859 2HG GLN 109 1HG GLN 109 58.349 61.916 53.039 860 1HE2 GLN 109 2HE2 GLN 109 57.578 60.201 52.760 861 2HE2 GLN 109 1HE2 GLN 109 56.353 59.212 53.812 862 H TRP 110 H TRP 110 62.657 62.456 54.074 863 HA TRP 110 HA TRP 110 62.051 65.125 53.010 864 1HB TRP 110 2HB TRP 110 64.277 65.434 53.225 865 2HB TRP 110 1HB TRP 110 64.175 63.921 54.225 866 HD1 TRP 110 HD1 TRP 110 64.960 65.101 50.682 867 HE1 TRP 110 HE1 TRP 110 66.510 63.225 49.639 868 HE3 TRP 110 HE3 TRP 110 64.660 61.883 54.423 869 HZ2 TRP 110 HZ2 TRP 110 67.360 60.639 50.598 870 HZ3 TRP 110 HZ3 TRP 110 65.784 59.696 54.426 871 HH2 TRP 110 HH2 TRP 110 67.092 59.107 52.576 872 H VAL 111 H VAL 111 61.529 65.619 51.183 873 HA VAL 111 HA VAL 111 60.806 63.676 49.114 874 HB VAL 111 HB VAL 111 60.823 66.765 49.219 875 1HG1 VAL 111 1HG1 VAL 111 58.837 66.523 47.536 876 2HG1 VAL 111 2HG1 VAL 111 59.355 64.777 47.462 877 3HG1 VAL 111 3HG1 VAL 111 60.474 66.039 46.931 878 1HG2 VAL 111 1HG2 VAL 111 59.520 66.051 51.179 879 2HG2 VAL 111 2HG2 VAL 111 58.881 64.610 50.280 880 3HG2 VAL 111 3HG2 VAL 111 58.295 66.261 49.815 881 H GLU 112 H GLU 112 61.833 63.077 47.480 882 HA GLU 112 HA GLU 112 64.026 64.778 46.324 883 1HB GLU 112 2HB GLU 112 63.413 61.762 45.949 884 2HB GLU 112 1HB GLU 112 64.834 62.644 45.273 885 1HG GLU 112 2HG GLU 112 64.377 62.920 48.266 886 2HG GLU 112 1HG GLU 112 64.897 61.248 47.572 887 H GLY 113 H GLY 113 61.028 63.242 45.779 888 1HA GLY 113 1HA GLY 113 59.610 64.400 43.949 889 2HA GLY 113 2HA GLY 113 60.943 63.910 42.858 890 H ASP 114 H ASP 114 60.685 62.245 41.874 891 HA ASP 114 HA ASP 114 58.445 60.476 41.991 892 1HB ASP 114 2HB ASP 114 60.140 58.905 40.537 893 2HB ASP 114 1HB ASP 114 59.587 60.557 39.796 894 H LYS 115 H LYS 115 61.324 60.328 43.726 895 HA LYS 115 HA LYS 115 60.641 57.711 45.054 896 1HB LYS 115 2HB LYS 115 63.432 58.762 44.241 897 2HB LYS 115 1HB LYS 115 63.112 57.539 45.536 898 1HG LYS 115 2HG LYS 115 61.553 56.727 43.250 899 2HG LYS 115 1HG LYS 115 63.284 57.108 42.724 900 1HD LYS 115 2HD LYS 115 63.398 54.794 43.469 901 2HD LYS 115 1HD LYS 115 63.926 55.781 44.913 902 1HE LYS 115 2HE LYS 115 61.890 55.378 46.034 903 2HE LYS 115 1HE LYS 115 60.968 55.270 44.500 904 1HZ LYS 115 1HZ LYS 115 61.235 53.070 44.405 905 2HZ LYS 115 2HZ LYS 115 61.809 53.081 45.999 906 3HZ LYS 115 3HZ LYS 115 62.870 53.117 44.754 907 H LEU 116 H LEU 116 61.337 57.526 47.127 908 HA LEU 116 HA LEU 116 62.106 59.970 48.588 909 1HB LEU 116 2HB LEU 116 59.658 60.218 47.839 910 2HB LEU 116 1HB LEU 116 59.228 58.960 49.106 911 HG LEU 116 HG LEU 116 60.846 61.425 49.796 912 1HD1 LEU 116 1HD1 LEU 116 58.153 61.449 48.808 913 2HD1 LEU 116 2HD1 LEU 116 58.852 62.678 49.973 914 3HD1 LEU 116 3HD1 LEU 116 57.885 61.215 50.539 915 1HD2 LEU 116 1HD2 LEU 116 59.634 59.024 51.107 916 2HD2 LEU 116 2HD2 LEU 116 59.385 60.562 52.066 917 3HD2 LEU 116 3HD2 LEU 116 61.062 60.021 51.594 918 H TYR 117 H TYR 117 62.936 59.714 50.433 919 HA TYR 117 HA TYR 117 62.665 56.903 51.464 920 1HB TYR 117 2HB TYR 117 65.060 58.833 51.170 921 2HB TYR 117 1HB TYR 117 65.056 57.602 52.465 922 HD1 TYR 117 HD1 TYR 117 66.917 57.796 49.840 923 HD2 TYR 117 HD2 TYR 117 63.504 55.338 50.804 924 HE1 TYR 117 HE1 TYR 117 67.642 56.103 48.288 925 HE2 TYR 117 HE2 TYR 117 64.280 53.641 49.228 926 HH TYR 117 HH TYR 117 65.737 53.539 47.192 927 H LEU 118 H LEU 118 60.895 57.546 52.431 928 HA LEU 118 HA LEU 118 61.226 59.361 54.759 929 1HB LEU 118 2HB LEU 118 59.030 59.141 53.976 930 2HB LEU 118 1HB LEU 118 59.065 57.289 53.900 931 HG LEU 118 HG LEU 118 59.313 57.483 56.523 932 1HD1 LEU 118 1HD1 LEU 118 59.579 59.579 57.094 933 2HD1 LEU 118 2HD1 LEU 118 57.752 59.629 57.091 934 3HD1 LEU 118 3HD1 LEU 118 58.739 60.259 55.661 935 1HD2 LEU 118 1HD2 LEU 118 56.953 57.003 56.613 936 2HD2 LEU 118 2HD2 LEU 118 57.206 57.026 54.782 937 3HD2 LEU 118 3HD2 LEU 118 56.554 58.473 55.693 938 H GLU 119 H GLU 119 62.148 58.852 56.754 939 HA GLU 119 HA GLU 119 62.929 55.943 57.134 940 1HB GLU 119 2HB GLU 119 64.261 58.307 58.522 941 2HB GLU 119 1HB GLU 119 64.764 56.602 58.319 942 1HG GLU 119 2HG GLU 119 64.251 57.751 55.635 943 2HG GLU 119 1HG GLU 119 65.443 58.774 56.573 944 H LEU 120 H LEU 120 61.282 55.103 58.244 945 HA LEU 120 HA LEU 120 60.167 56.635 60.458 946 1HB LEU 120 2HB LEU 120 59.551 54.077 59.170 947 2HB LEU 120 1HB LEU 120 59.123 54.182 60.964 948 HG LEU 120 HG LEU 120 58.191 55.989 58.675 949 1HD1 LEU 120 1HD1 LEU 120 55.827 55.302 59.465 950 2HD1 LEU 120 2HD1 LEU 120 56.746 54.101 60.563 951 3HD1 LEU 120 3HD1 LEU 120 56.843 53.946 58.792 952 1HD2 LEU 120 1HD2 LEU 120 58.480 56.804 61.446 953 2HD2 LEU 120 2HD2 LEU 120 56.721 56.461 61.284 954 3HD2 LEU 120 3HD2 LEU 120 57.510 57.623 60.171 955 H THR 121 H THR 121 61.685 56.956 61.941 956 HA THR 121 HA THR 121 63.550 54.998 62.962 957 HB THR 121 HB THR 121 63.328 56.365 65.182 958 HG1 THR 121 1HG THR 121 61.644 57.553 65.172 959 1HG2 THR 121 1HG2 THR 121 64.070 57.473 62.359 960 2HG2 THR 121 2HG2 THR 121 65.176 57.036 63.746 961 3HG2 THR 121 3HG2 THR 121 64.214 58.553 63.801 962 H CYS 122 H CYS 122 60.458 56.091 64.465 963 HA CYS 122 HA CYS 122 58.945 54.913 65.926 964 1HB CYS 122 2HB CYS 122 59.651 53.106 63.508 965 2HB CYS 122 1HB CYS 122 58.292 52.691 64.526 966 HG CYS 122 HG CYS 122 58.668 55.479 62.827 967 H GLY 123 H GLY 123 60.582 54.889 67.453 968 1HA GLY 123 1HA GLY 123 61.491 53.578 69.334 969 2HA GLY 123 2HA GLY 123 60.697 52.176 68.513 970 H ASP 124 H ASP 124 63.052 51.858 69.703 971 HA ASP 124 HA ASP 124 65.500 52.255 68.303 972 1HB ASP 124 2HB ASP 124 64.318 50.114 70.242 973 2HB ASP 124 1HB ASP 124 65.972 49.833 69.455 974 H GLN 125 H GLN 125 66.660 50.978 67.057 975 HA GLN 125 HA GLN 125 66.849 49.466 65.102 976 1HB GLN 125 2HB GLN 125 64.186 48.200 65.877 977 2HB GLN 125 1HB GLN 125 65.637 47.358 65.309 978 1HG GLN 125 2HG GLN 125 66.614 48.263 67.722 979 2HG GLN 125 1HG GLN 125 64.846 48.077 68.076 980 1HE2 GLN 125 1HE2 GLN 125 67.407 46.652 66.222 981 2HE2 GLN 125 2HE2 GLN 125 66.964 44.838 66.571 982 H VAL 126 H VAL 126 66.414 51.597 64.552 983 HA VAL 126 HA VAL 126 64.191 52.952 63.596 984 HB VAL 126 HB VAL 126 67.064 52.628 62.501 985 1HG1 VAL 126 1HG1 VAL 126 64.977 53.817 61.020 986 2HG1 VAL 126 2HG1 VAL 126 66.674 54.449 60.981 987 3HG1 VAL 126 3HG1 VAL 126 65.386 55.168 62.076 988 1HG2 VAL 126 1HG2 VAL 126 66.497 55.198 63.642 989 2HG2 VAL 126 2HG2 VAL 126 67.504 53.923 64.395 990 3HG2 VAL 126 3HG2 VAL 126 65.696 54.033 64.740 991 H CYS 127 H CYS 127 62.850 52.840 61.820 992 HA CYS 127 HA CYS 127 63.483 50.637 59.780 993 1HB CYS 127 2HB CYS 127 60.712 51.854 59.900 994 2HB CYS 127 1HB CYS 127 61.159 50.170 59.687 995 HG CYS 127 HG CYS 127 61.549 49.537 62.177 996 H ARG 128 H ARG 128 62.983 50.893 57.690 997 HA ARG 128 HA ARG 128 63.246 53.871 56.952 998 1HB ARG 128 2HB ARG 128 65.181 52.549 56.354 999 2HB ARG 128 1HB ARG 128 64.124 51.303 55.509 1000 1HG ARG 128 2HG ARG 128 63.417 52.848 53.819 1001 2HG ARG 128 1HG ARG 128 64.191 54.262 54.602 1002 1HD ARG 128 2HD ARG 128 65.832 51.752 53.893 1003 2HD ARG 128 1HD ARG 128 65.292 52.810 52.520 1004 HE ARG 128 HE ARG 128 66.665 54.340 54.594 1005 1HH1 ARG 128 2HH1 ARG 128 67.079 52.227 51.686 1006 2HH1 ARG 128 1HH1 ARG 128 68.619 52.911 51.303 1007 1HH2 ARG 128 2HH2 ARG 128 68.675 55.215 54.031 1008 2HH2 ARG 128 1HH2 ARG 128 69.514 54.613 52.628 1009 H GLN 129 H GLN 129 61.206 54.631 56.394 1010 HA GLN 129 HA GLN 129 59.392 52.726 55.151 1011 1HB GLN 129 2HB GLN 129 59.343 55.528 55.867 1012 2HB GLN 129 1HB GLN 129 58.752 55.438 54.162 1013 1HG GLN 129 2HG GLN 129 57.618 54.054 56.598 1014 2HG GLN 129 1HG GLN 129 56.756 55.171 55.377 1015 1HE2 GLN 129 1HE2 GLN 129 56.621 52.177 56.484 1016 2HE2 GLN 129 2HE2 GLN 129 56.347 51.231 55.009 1017 H VAL 130 H VAL 130 58.614 52.711 52.697 1018 HA VAL 130 HA VAL 130 60.827 53.931 51.053 1019 HB VAL 130 HB VAL 130 59.772 51.010 50.666 1020 1HG1 VAL 130 1HG1 VAL 130 61.459 52.955 48.931 1021 2HG1 VAL 130 2HG1 VAL 130 59.963 52.118 48.441 1022 3HG1 VAL 130 3HG1 VAL 130 61.513 51.172 48.829 1023 1HG2 VAL 130 1HG2 VAL 130 61.897 50.306 51.051 1024 2HG2 VAL 130 2HG2 VAL 130 61.679 51.519 52.381 1025 3HG2 VAL 130 3HG2 VAL 130 62.673 51.968 50.973 1026 H PHE 131 H PHE 131 59.905 55.308 50.028 1027 HA PHE 131 HA PHE 131 57.064 55.037 49.077 1028 1HB PHE 131 2HB PHE 131 59.019 57.188 50.035 1029 2HB PHE 131 1HB PHE 131 57.696 57.662 48.865 1030 HD1 PHE 131 HD1 PHE 131 57.685 55.158 51.725 1031 HD2 PHE 131 HD2 PHE 131 56.207 58.815 50.008 1032 HE1 PHE 131 HE1 PHE 131 56.025 55.313 53.562 1033 HE2 PHE 131 HE2 PHE 131 54.572 58.937 51.845 1034 HZ PHE 131 HZ PHE 131 54.489 57.168 53.649 1035 H LYS 132 H LYS 132 56.628 56.067 46.996 1036 HA LYS 132 HA LYS 132 58.659 56.838 45.108 1037 1HB LYS 132 2HB LYS 132 59.315 54.307 45.263 1038 2HB LYS 132 1HB LYS 132 57.553 53.960 45.361 1039 1HG LYS 132 2HG LYS 132 58.023 55.300 42.805 1040 2HG LYS 132 1HG LYS 132 59.346 54.015 43.021 1041 1HD LYS 132 2HD LYS 132 57.769 52.718 42.104 1042 2HD LYS 132 1HD LYS 132 57.353 52.498 43.903 1043 1HE LYS 132 2HE LYS 132 55.374 53.488 43.719 1044 2HE LYS 132 1HE LYS 132 55.963 54.745 42.565 1045 1HZ LYS 132 1HZ LYS 132 55.860 52.821 40.893 1046 2HZ LYS 132 2HZ LYS 132 54.381 53.301 41.530 1047 3HZ LYS 132 3HZ LYS 132 55.142 51.873 42.028 1048 H LYS 133 H LYS 133 57.641 57.771 43.678 1049 HA LYS 133 HA LYS 133 55.681 57.207 41.883 1050 1HB LYS 133 2HB LYS 133 54.088 56.276 43.202 1051 2HB LYS 133 1HB LYS 133 54.375 57.439 44.547 1052 1HG LYS 133 2HG LYS 133 53.051 59.160 43.458 1053 2HG LYS 133 1HG LYS 133 53.493 58.494 41.796 1054 1HD LYS 133 2HD LYS 133 51.805 56.819 41.865 1055 2HD LYS 133 1HD LYS 133 51.487 57.108 43.605 1056 1HE LYS 133 2HE LYS 133 50.027 58.669 43.028 1057 2HE LYS 133 1HE LYS 133 51.422 59.709 42.442 1058 1HZ LYS 133 1HZ LYS 133 50.884 57.869 40.459 1059 2HZ LYS 133 2HZ LYS 133 50.718 59.510 40.343 1060 3HZ LYS 133 3HZ LYS 133 49.425 58.556 40.839 1061 H LYS 134 H LYS 134 54.922 59.753 44.250 1062 HA LYS 134 HA LYS 134 55.772 61.651 42.032 1063 1HB LYS 134 2HB LYS 134 53.134 60.996 42.706 1064 2HB LYS 134 1HB LYS 134 53.344 62.554 43.560 1065 1HG LYS 134 2HG LYS 134 52.519 62.995 41.301 1066 2HG LYS 134 1HG LYS 134 54.310 63.297 41.086 1067 1HD LYS 134 2HD LYS 134 54.071 60.544 40.787 1068 2HD LYS 134 1HD LYS 134 52.502 61.204 40.075 1069 1HE LYS 134 2HE LYS 134 54.865 62.799 39.260 1070 2HE LYS 134 1HE LYS 134 54.917 61.006 38.730 1071 1HZ LYS 134 1HZ LYS 134 53.064 63.168 37.995 1072 2HZ LYS 134 2HZ LYS 134 52.501 61.559 37.996 1073 3HZ LYS 134 3HZ LYS 134 53.789 61.985 37.062 1074 1H2 RTL 135 1H2 RET 135 47.956 50.822 56.337 1075 2H2 RTL 135 2H2 RET 135 46.419 51.241 56.902 1076 1H3 RTL 135 1H3 RET 135 46.441 49.577 58.458 1077 2H3 RTL 135 2H3 RET 135 47.792 48.963 57.674 1078 1H4 RTL 135 1H4 RET 135 48.571 49.169 59.952 1079 2H4 RTL 135 2H4 RET 135 47.545 50.514 60.249 1080 H7 RTL 135 H7 RET 135 51.147 52.692 57.879 1081 H8 RTL 135 H8 RET 135 49.229 54.743 59.229 1082 H10 RTL 135 H10 RET 135 49.881 56.677 57.293 1083 H11 RTL 135 H11 RET 135 52.748 57.148 57.180 1084 H12 RTL 135 H12 RET 135 50.860 59.273 58.449 1085 H14 RTL 135 H14 RET 135 51.714 61.146 56.572 1086 1H15 RTL 135 1H15 RET 135 54.668 61.632 57.229 1087 2H15 RTL 135 2H15 RET 135 53.441 62.870 57.615 1088 HO1 RTL 135 H51 RET 135 54.491 62.951 55.539 1089 1H16 RTL 135 1H16 RET 135 48.841 53.572 56.337 1090 2H16 RTL 135 2H16 RET 135 47.962 54.502 57.581 1091 3H16 RTL 135 3H16 RET 135 47.097 53.542 56.358 1092 1H17 RTL 135 1H17 RET 135 46.093 53.301 58.277 1093 2H17 RTL 135 2H17 RET 135 47.415 53.839 59.338 1094 3H17 RTL 135 3H17 RET 135 46.661 52.247 59.602 1095 1H18 RTL 135 1H18 RET 135 51.076 51.439 60.492 1096 2H18 RTL 135 2H18 RET 135 51.195 49.892 59.615 1097 3H18 RTL 135 3H18 RET 135 50.174 50.042 61.077 1098 1H19 RTL 135 1H19 RET 135 52.362 55.575 60.242 1099 2H19 RTL 135 2H19 RET 135 53.171 55.723 58.656 1100 3H19 RTL 135 3H19 RET 135 52.634 54.132 59.236 1101 1H20 RTL 135 1H20 RET 135 54.136 58.470 58.868 1102 2H20 RTL 135 2H20 RET 135 53.961 60.013 59.632 1103 3H20 RTL 135 3H20 RET 135 54.942 59.869 58.133 Start of MODEL 2 1 1H MET 1 1H MET 1 60.939 70.043 43.865 2 2H MET 1 2H MET 1 60.564 70.523 42.293 3 3H MET 1 3H MET 1 59.791 71.168 43.638 4 HA MET 1 HA MET 1 62.725 71.603 43.145 5 1HB MET 1 2HB MET 1 60.196 73.207 42.383 6 2HB MET 1 1HB MET 1 61.679 74.039 42.991 7 1HG MET 1 2HG MET 1 62.498 74.009 40.896 8 2HG MET 1 1HG MET 1 62.896 72.348 41.154 9 1HE MET 1 1HE MET 1 61.827 73.495 37.873 10 2HE MET 1 2HE MET 1 61.831 71.710 37.785 11 3HE MET 1 3HE MET 1 62.998 72.422 38.824 12 H THR 2 H THR 2 63.415 73.359 44.407 13 HA THR 2 HA THR 2 64.000 73.927 46.608 14 HB THR 2 HB THR 2 62.333 75.534 47.653 15 HG1 THR 2 1HG THR 2 60.719 74.437 45.682 16 1HG2 THR 2 1HG2 THR 2 63.791 76.451 45.730 17 2HG2 THR 2 2HG2 THR 2 62.104 76.909 45.329 18 3HG2 THR 2 3HG2 THR 2 62.892 75.486 44.521 19 H LYS 3 H LYS 3 60.534 73.786 47.516 20 HA LYS 3 HA LYS 3 61.098 71.209 48.792 21 1HB LYS 3 2HB LYS 3 60.797 72.143 51.124 22 2HB LYS 3 1HB LYS 3 62.328 72.767 50.398 23 1HG LYS 3 2HG LYS 3 61.437 74.941 50.046 24 2HG LYS 3 1HG LYS 3 59.739 74.250 49.986 25 1HD LYS 3 2HD LYS 3 59.465 74.401 52.224 26 2HD LYS 3 1HD LYS 3 61.146 73.758 52.549 27 1HE LYS 3 2HE LYS 3 62.115 75.953 51.955 28 2HE LYS 3 1HE LYS 3 60.441 76.653 51.806 29 1HZ LYS 3 1HZ LYS 3 60.257 75.650 54.236 30 2HZ LYS 3 2HZ LYS 3 60.982 77.097 54.032 31 3HZ LYS 3 3HZ LYS 3 61.903 75.681 54.251 32 H ASP 4 H ASP 4 58.982 72.682 47.055 33 HA ASP 4 HA ASP 4 56.587 72.925 48.628 34 1HB ASP 4 2HB ASP 4 56.798 73.663 46.132 35 2HB ASP 4 1HB ASP 4 56.949 71.897 45.743 36 H GLN 5 H GLN 5 56.140 71.333 50.122 37 HA GLN 5 HA GLN 5 56.834 68.590 49.510 38 1HB GLN 5 2HB GLN 5 54.941 69.988 51.529 39 2HB GLN 5 1HB GLN 5 55.384 68.195 51.633 40 1HG GLN 5 2HG GLN 5 57.305 70.589 51.579 41 2HG GLN 5 1HG GLN 5 56.769 69.547 53.057 42 1HE2 GLN 5 2HE2 GLN 5 58.767 69.744 50.255 43 2HE2 GLN 5 1HE2 GLN 5 59.660 68.207 50.527 44 H ASN 6 H ASN 6 53.651 69.819 50.143 45 HA ASN 6 HA ASN 6 51.639 68.506 49.411 46 1HB ASN 6 2HB ASN 6 52.124 70.478 47.104 47 2HB ASN 6 1HB ASN 6 50.588 70.157 48.117 48 1HD2 ASN 6 2HD2 ASN 6 50.146 72.195 48.375 49 2HD2 ASN 6 1HD2 ASN 6 51.138 73.147 49.687 50 H GLY 7 H GLY 7 51.790 66.482 48.708 51 1HA GLY 7 1HA GLY 7 51.828 66.290 45.756 52 2HA GLY 7 2HA GLY 7 53.156 65.459 46.636 53 H THR 8 H THR 8 52.581 63.486 45.896 54 HA THR 8 HA THR 8 50.660 62.087 47.535 55 HB THR 8 HB THR 8 50.502 62.118 44.405 56 HG1 THR 8 1HG THR 8 48.244 62.134 45.287 57 1HG2 THR 8 1HG2 THR 8 49.328 60.350 46.712 58 2HG2 THR 8 2HG2 THR 8 50.565 59.689 45.542 59 3HG2 THR 8 3HG2 THR 8 48.913 60.099 44.944 60 H TRP 9 H TRP 9 51.205 60.074 47.663 61 HA TRP 9 HA TRP 9 53.763 59.324 46.403 62 1HB TRP 9 2HB TRP 9 54.580 59.025 49.131 63 2HB TRP 9 1HB TRP 9 55.249 59.998 47.772 64 HD1 TRP 9 HD1 TRP 9 51.999 60.392 49.871 65 HE1 TRP 9 HE1 TRP 9 51.724 62.796 50.704 66 HE3 TRP 9 HE3 TRP 9 56.173 62.117 47.973 67 HZ2 TRP 9 HZ2 TRP 9 53.239 65.099 50.454 68 HZ3 TRP 9 HZ3 TRP 9 56.824 64.459 48.237 69 HH2 TRP 9 HH2 TRP 9 55.358 65.971 49.480 70 H GLU 10 H GLU 10 52.093 57.695 45.720 71 HA GLU 10 HA GLU 10 50.931 55.694 47.093 72 1HB GLU 10 2HB GLU 10 52.312 55.972 44.393 73 2HB GLU 10 1HB GLU 10 52.136 54.275 45.020 74 1HG GLU 10 2HG GLU 10 50.117 54.352 44.105 75 2HG GLU 10 1HG GLU 10 49.688 55.402 45.619 76 H MET 11 H MET 11 52.015 55.220 48.901 77 HA MET 11 HA MET 11 54.683 54.522 49.517 78 1HB MET 11 2HB MET 11 51.908 53.840 50.641 79 2HB MET 11 1HB MET 11 53.392 52.926 51.218 80 1HG MET 11 2HG MET 11 54.240 54.650 52.389 81 2HG MET 11 1HG MET 11 53.801 55.810 51.112 82 1HE MET 11 1HE MET 11 50.772 55.399 50.702 83 2HE MET 11 2HE MET 11 51.134 57.173 51.110 84 3HE MET 11 3HE MET 11 49.838 56.308 51.892 85 H GLU 12 H GLU 12 55.887 52.882 49.559 86 HA GLU 12 HA GLU 12 55.091 50.521 47.888 87 1HB GLU 12 2HB GLU 12 57.160 51.654 46.971 88 2HB GLU 12 1HB GLU 12 57.935 51.496 48.580 89 1HG GLU 12 2HG GLU 12 57.728 48.951 48.329 90 2HG GLU 12 1HG GLU 12 56.684 49.252 46.821 91 H SER 13 H SER 13 57.331 51.250 50.649 92 HA SER 13 HA SER 13 55.884 49.571 52.496 93 1HB SER 13 2HB SER 13 57.401 48.058 50.425 94 2HB SER 13 1HB SER 13 58.000 47.713 52.148 95 HG SER 13 HG SER 13 56.175 46.466 51.376 96 H ASN 14 H ASN 14 57.101 48.668 54.109 97 HA ASN 14 HA ASN 14 59.468 50.394 54.881 98 1HB ASN 14 2HB ASN 14 58.728 48.747 57.153 99 2HB ASN 14 1HB ASN 14 58.471 50.550 56.873 100 1HD2 ASN 14 1HD2 ASN 14 56.557 51.118 57.027 101 2HD2 ASN 14 2HD2 ASN 14 55.040 50.046 56.632 102 H GLU 15 H GLU 15 60.754 49.532 56.629 103 HA GLU 15 HA GLU 15 61.925 47.026 55.340 104 1HB GLU 15 2HB GLU 15 63.153 49.600 56.583 105 2HB GLU 15 1HB GLU 15 64.143 48.074 56.729 106 1HG GLU 15 2HG GLU 15 63.255 47.837 54.145 107 2HG GLU 15 1HG GLU 15 63.498 49.661 54.376 108 H ASN 16 H ASN 16 61.514 48.720 58.430 109 HA ASN 16 HA ASN 16 62.045 46.119 59.866 110 1HB ASN 16 2HB ASN 16 63.094 48.562 60.389 111 2HB ASN 16 1HB ASN 16 61.570 48.622 61.462 112 1HD2 ASN 16 1HD2 ASN 16 63.640 48.910 62.656 113 2HD2 ASN 16 2HD2 ASN 16 64.106 47.294 63.536 114 H PHE 17 H PHE 17 59.985 45.857 58.628 115 HA PHE 17 HA PHE 17 57.398 46.641 59.242 116 1HB PHE 17 2HB PHE 17 58.042 43.669 59.341 117 2HB PHE 17 1HB PHE 17 56.604 44.537 58.623 118 HD1 PHE 17 HD1 PHE 17 57.013 45.820 56.395 119 HD2 PHE 17 HD2 PHE 17 59.967 43.292 58.160 120 HE1 PHE 17 HE1 PHE 17 58.316 45.715 54.288 121 HE2 PHE 17 HE2 PHE 17 61.261 43.186 56.054 122 HZ PHE 17 HZ PHE 17 60.431 44.424 54.060 123 H GLU 18 H GLU 18 59.482 44.481 60.973 124 HA GLU 18 HA GLU 18 57.644 43.673 63.147 125 1HB GLU 18 2HB GLU 18 60.731 43.721 62.904 126 2HB GLU 18 1HB GLU 18 59.731 42.579 63.922 127 1HG GLU 18 2HG GLU 18 58.855 41.535 61.904 128 2HG GLU 18 1HG GLU 18 59.989 42.667 60.850 129 H GLY 19 H GLY 19 60.277 46.048 62.696 130 1HA GLY 19 1HA GLY 19 60.178 46.566 65.643 131 2HA GLY 19 2HA GLY 19 61.157 47.540 64.449 132 H TYR 20 H TYR 20 58.638 47.878 62.711 133 HA TYR 20 HA TYR 20 57.712 50.216 64.236 134 1HB TYR 20 2HB TYR 20 58.056 50.003 61.664 135 2HB TYR 20 1HB TYR 20 56.522 49.051 61.602 136 HD1 TYR 20 HD1 TYR 20 56.216 51.486 64.183 137 HD2 TYR 20 HD2 TYR 20 56.285 50.949 59.956 138 HE1 TYR 20 HE1 TYR 20 54.951 53.603 63.955 139 HE2 TYR 20 HE2 TYR 20 55.042 53.041 59.640 140 HH TYR 20 HH TYR 20 54.154 55.032 62.538 141 H MET 21 H MET 21 56.825 46.877 63.844 142 HA MET 21 HA MET 21 53.996 47.230 64.455 143 1HB MET 21 2HB MET 21 55.252 45.240 63.266 144 2HB MET 21 1HB MET 21 56.026 44.906 64.858 145 1HG MET 21 2HG MET 21 53.134 45.133 65.153 146 2HG MET 21 1HG MET 21 53.406 44.051 63.781 147 1HE MET 21 1HE MET 21 55.446 41.100 64.936 148 2HE MET 21 2HE MET 21 55.513 42.531 63.829 149 3HE MET 21 3HE MET 21 54.064 41.614 63.884 150 H LYS 22 H LYS 22 56.844 47.031 66.117 151 HA LYS 22 HA LYS 22 55.769 46.370 68.734 152 1HB LYS 22 2HB LYS 22 58.232 45.874 68.091 153 2HB LYS 22 1HB LYS 22 58.522 47.657 68.036 154 1HG LYS 22 2HG LYS 22 58.247 47.978 70.274 155 2HG LYS 22 1HG LYS 22 57.170 46.464 70.464 156 1HD LYS 22 2HD LYS 22 59.476 46.068 71.511 157 2HD LYS 22 1HD LYS 22 59.199 45.061 70.001 158 1HE LYS 22 2HE LYS 22 60.893 46.182 68.923 159 2HE LYS 22 1HE LYS 22 60.230 47.798 69.433 160 1HZ LYS 22 1HZ LYS 22 62.310 46.108 70.612 161 2HZ LYS 22 2HZ LYS 22 61.318 46.922 71.702 162 3HZ LYS 22 3HZ LYS 22 62.174 47.791 70.626 163 H ALA 23 H ALA 23 56.221 49.091 66.851 164 HA ALA 23 HA ALA 23 56.250 51.001 69.044 165 1HB ALA 23 1HB ALA 23 56.740 52.417 67.388 166 2HB ALA 23 2HB ALA 23 55.140 52.177 66.564 167 3HB ALA 23 3HB ALA 23 56.540 51.064 66.172 168 H LEU 24 H LEU 24 53.924 49.825 66.800 169 HA LEU 24 HA LEU 24 51.601 51.323 67.874 170 1HB LEU 24 2HB LEU 24 52.046 48.943 65.888 171 2HB LEU 24 1HB LEU 24 50.401 49.543 66.378 172 HG LEU 24 HG LEU 24 52.286 51.712 65.545 173 1HD1 LEU 24 1HD1 LEU 24 52.909 49.592 64.115 174 2HD1 LEU 24 2HD1 LEU 24 52.608 51.169 63.292 175 3HD1 LEU 24 3HD1 LEU 24 51.313 49.881 63.334 176 1HD2 LEU 24 1HD2 LEU 24 49.499 50.937 64.510 177 2HD2 LEU 24 2HD2 LEU 24 50.358 52.484 64.242 178 3HD2 LEU 24 3HD2 LEU 24 49.818 52.002 65.936 179 H ASP 25 H ASP 25 52.750 48.121 67.539 180 HA ASP 25 HA ASP 25 52.533 46.037 68.715 181 1HB ASP 25 2HB ASP 25 53.200 47.758 70.640 182 2HB ASP 25 1HB ASP 25 51.398 47.834 70.951 183 H ILE 26 H ILE 26 50.695 47.440 67.175 184 HA ILE 26 HA ILE 26 48.021 47.291 68.025 185 HB ILE 26 HB ILE 26 48.711 48.680 66.259 186 1HG1 ILE 26 2HG1 ILE 26 46.977 46.725 64.665 187 2HG1 ILE 26 1HG1 ILE 26 46.433 47.446 66.239 188 1HG2 ILE 26 1HG2 ILE 26 49.343 46.169 64.518 189 2HG2 ILE 26 2HG2 ILE 26 50.563 47.321 65.232 190 3HG2 ILE 26 3HG2 ILE 26 49.359 47.931 64.041 191 1HD1 ILE 26 1HD1 ILE 26 47.177 48.985 63.679 192 2HD1 ILE 26 2HD1 ILE 26 47.211 49.794 65.307 193 3HD1 ILE 26 3HD1 ILE 26 45.711 49.020 64.681 194 H ASP 27 H ASP 27 49.942 45.064 66.007 195 HA ASP 27 HA ASP 27 49.387 42.688 67.031 196 1HB ASP 27 2HB ASP 27 46.949 42.653 66.931 197 2HB ASP 27 1HB ASP 27 46.976 43.611 65.346 198 H PHE 28 H PHE 28 49.741 40.770 65.502 199 HA PHE 28 HA PHE 28 51.860 41.555 63.768 200 1HB PHE 28 2HB PHE 28 50.254 38.863 63.741 201 2HB PHE 28 1HB PHE 28 51.985 39.161 63.291 202 HD1 PHE 28 HD1 PHE 28 53.482 40.034 65.282 203 HD2 PHE 28 HD2 PHE 28 49.695 38.128 65.715 204 HE1 PHE 28 HE1 PHE 28 54.090 39.428 67.673 205 HE2 PHE 28 HE2 PHE 28 50.195 37.495 68.021 206 HZ PHE 28 HZ PHE 28 52.413 38.127 69.057 207 H ALA 29 H ALA 29 48.476 40.865 63.121 208 HA ALA 29 HA ALA 29 48.674 40.420 60.220 209 1HB ALA 29 1HB ALA 29 46.291 41.841 61.660 210 2HB ALA 29 2HB ALA 29 46.627 40.113 61.993 211 3HB ALA 29 3HB ALA 29 46.269 40.675 60.279 212 H THR 30 H THR 30 48.595 43.261 62.278 213 HA THR 30 HA THR 30 47.945 45.157 60.263 214 HB THR 30 HB THR 30 49.745 45.746 62.631 215 HG1 THR 30 1HG THR 30 46.946 45.619 62.774 216 1HG2 THR 30 1HG2 THR 30 49.037 47.923 61.873 217 2HG2 THR 30 2HG2 THR 30 47.363 47.457 62.339 218 3HG2 THR 30 3HG2 THR 30 47.878 47.134 60.648 219 H ARG 31 H ARG 31 51.066 44.096 61.400 220 HA ARG 31 HA ARG 31 52.602 45.815 59.566 221 1HB ARG 31 2HB ARG 31 54.122 45.519 61.175 222 2HB ARG 31 1HB ARG 31 53.153 44.225 61.910 223 1HG ARG 31 2HG ARG 31 54.905 43.566 59.405 224 2HG ARG 31 1HG ARG 31 55.588 43.654 61.085 225 1HD ARG 31 2HD ARG 31 53.553 42.096 61.737 226 2HD ARG 31 1HD ARG 31 53.470 41.705 59.970 227 HE ARG 31 HE ARG 31 56.116 41.511 60.394 228 1HH1 ARG 31 1HH1 ARG 31 53.228 40.255 62.243 229 2HH1 ARG 31 2HH1 ARG 31 54.121 38.815 62.792 230 1HH2 ARG 31 2HH2 ARG 31 57.136 39.618 61.169 231 2HH2 ARG 31 1HH2 ARG 31 56.380 38.395 62.212 232 H LYS 32 H LYS 32 51.173 42.594 59.649 233 HA LYS 32 HA LYS 32 52.743 41.508 57.492 234 1HB LYS 32 2HB LYS 32 51.750 40.041 59.073 235 2HB LYS 32 1HB LYS 32 50.149 40.867 58.971 236 1HG LYS 32 2HG LYS 32 50.684 39.862 56.285 237 2HG LYS 32 1HG LYS 32 51.245 38.564 57.346 238 1HD LYS 32 2HD LYS 32 49.190 38.305 58.508 239 2HD LYS 32 1HD LYS 32 48.660 39.943 58.139 240 1HE LYS 32 2HE LYS 32 47.497 39.053 56.338 241 2HE LYS 32 1HE LYS 32 49.108 38.705 55.535 242 1HZ LYS 32 1HZ LYS 32 47.280 36.827 56.782 243 2HZ LYS 32 2HZ LYS 32 48.790 36.740 57.447 244 3HZ LYS 32 3HZ LYS 32 48.624 36.635 55.807 245 H ILE 33 H ILE 33 49.949 43.493 57.995 246 HA ILE 33 HA ILE 33 48.938 43.224 55.241 247 HB ILE 33 HB ILE 33 48.270 45.020 57.675 248 1HG1 ILE 33 2HG1 ILE 33 46.353 43.700 57.863 249 2HG1 ILE 33 1HG1 ILE 33 45.925 44.106 56.174 250 1HG2 ILE 33 1HG2 ILE 33 47.744 45.586 54.712 251 2HG2 ILE 33 2HG2 ILE 33 48.193 46.683 56.108 252 3HG2 ILE 33 3HG2 ILE 33 46.503 46.103 55.886 253 1HD1 ILE 33 1HD1 ILE 33 47.291 42.136 55.317 254 2HD1 ILE 33 2HD1 ILE 33 46.254 41.609 56.726 255 3HD1 ILE 33 3HD1 ILE 33 48.031 41.978 56.920 256 H ALA 34 H ALA 34 50.627 45.523 57.262 257 HA ALA 34 HA ALA 34 51.040 47.493 55.130 258 1HB ALA 34 1HB ALA 34 53.076 47.924 57.113 259 2HB ALA 34 2HB ALA 34 51.837 46.919 57.974 260 3HB ALA 34 3HB ALA 34 51.362 48.510 57.315 261 H VAL 35 H VAL 35 52.532 44.605 56.055 262 HA VAL 35 HA VAL 35 55.180 45.028 55.145 263 HB VAL 35 HB VAL 35 53.417 42.777 55.813 264 1HG1 VAL 35 1HG1 VAL 35 55.845 42.359 53.869 265 2HG1 VAL 35 2HG1 VAL 35 54.106 41.897 53.524 266 3HG1 VAL 35 3HG1 VAL 35 55.051 41.054 54.806 267 1HG2 VAL 35 1HG2 VAL 35 56.428 42.526 56.176 268 2HG2 VAL 35 2HG2 VAL 35 55.069 42.427 57.356 269 3HG2 VAL 35 3HG2 VAL 35 55.716 44.067 56.767 270 H ARG 36 H ARG 36 52.339 44.118 53.414 271 HA ARG 36 HA ARG 36 54.029 43.978 50.852 272 1HB ARG 36 2HB ARG 36 52.646 42.386 49.893 273 2HB ARG 36 1HB ARG 36 52.993 41.785 51.624 274 1HG ARG 36 2HG ARG 36 50.382 43.327 51.190 275 2HG ARG 36 1HG ARG 36 50.499 41.670 50.481 276 1HD ARG 36 2HD ARG 36 51.454 42.355 53.287 277 2HD ARG 36 1HD ARG 36 49.734 41.971 53.020 278 HE ARG 36 HE ARG 36 52.115 40.192 52.884 279 1HH1 ARG 36 1HH2 ARG 36 48.688 40.628 52.108 280 2HH1 ARG 36 2HH2 ARG 36 48.299 38.904 51.925 281 1HH2 ARG 36 2HH1 ARG 36 51.680 37.859 52.655 282 2HH2 ARG 36 1HH1 ARG 36 50.011 37.390 52.258 283 H LEU 37 H LEU 37 51.140 45.299 52.351 284 HA LEU 37 HA LEU 37 50.160 45.880 49.631 285 1HB LEU 37 2HB LEU 37 48.112 46.295 50.596 286 2HB LEU 37 1HB LEU 37 48.901 45.530 52.081 287 HG LEU 37 HG LEU 37 47.913 47.404 52.866 288 1HD1 LEU 37 1HD1 LEU 37 50.431 48.944 52.647 289 2HD1 LEU 37 2HD1 LEU 37 50.691 47.181 52.999 290 3HD1 LEU 37 3HD1 LEU 37 49.571 48.203 54.067 291 1HD2 LEU 37 1HD2 LEU 37 47.942 48.378 50.292 292 2HD2 LEU 37 2HD2 LEU 37 49.168 49.501 51.077 293 3HD2 LEU 37 3HD2 LEU 37 47.464 49.361 51.713 294 H THR 38 H THR 38 49.560 47.956 48.909 295 HA THR 38 HA THR 38 51.633 49.996 49.633 296 HB THR 38 HB THR 38 51.504 50.447 47.049 297 HG1 THR 38 1HG THR 38 50.992 48.384 46.000 298 1HG2 THR 38 1HG2 THR 38 53.504 49.319 47.831 299 2HG2 THR 38 2HG2 THR 38 52.904 48.138 46.607 300 3HG2 THR 38 3HG2 THR 38 52.545 47.877 48.375 301 H GLN 39 H GLN 39 50.297 51.379 50.946 302 HA GLN 39 HA GLN 39 47.775 52.219 49.761 303 1HB GLN 39 2HB GLN 39 47.631 53.528 51.916 304 2HB GLN 39 1HB GLN 39 48.054 51.751 52.079 305 1HG GLN 39 2HG GLN 39 50.527 53.090 51.738 306 2HG GLN 39 1HG GLN 39 49.502 54.193 52.858 307 1HE2 GLN 39 2HE2 GLN 39 51.941 52.445 53.082 308 2HE2 GLN 39 1HE2 GLN 39 51.585 51.320 54.423 309 H THR 40 H THR 40 47.421 54.604 50.208 310 HA THR 40 HA THR 40 49.398 56.236 48.724 311 HB THR 40 HB THR 40 46.316 56.615 48.621 312 HG1 THR 40 1HG THR 40 47.270 54.610 47.671 313 1HG2 THR 40 1HG2 THR 40 47.110 57.739 46.351 314 2HG2 THR 40 2HG2 THR 40 48.800 57.581 46.959 315 3HG2 THR 40 3HG2 THR 40 47.608 58.622 47.842 316 H LYS 41 H LYS 41 49.218 58.517 49.046 317 HA LYS 41 HA LYS 41 47.653 59.424 51.418 318 1HB LYS 41 2HB LYS 41 49.568 58.140 52.501 319 2HB LYS 41 1HB LYS 41 50.716 59.251 51.636 320 1HG LYS 41 2HG LYS 41 48.541 60.608 53.251 321 2HG LYS 41 1HG LYS 41 49.608 59.513 54.235 322 1HD LYS 41 2HD LYS 41 50.313 62.022 52.571 323 2HD LYS 41 1HD LYS 41 50.663 61.712 54.346 324 1HE LYS 41 2HE LYS 41 52.126 60.585 51.901 325 2HE LYS 41 1HE LYS 41 52.683 61.610 53.320 326 1HZ LYS 41 1HZ LYS 41 51.783 59.286 54.457 327 2HZ LYS 41 2HZ LYS 41 53.330 59.523 53.868 328 3HZ LYS 41 3HZ LYS 41 52.211 58.744 52.917 329 H ILE 42 H ILE 42 47.927 61.843 51.738 330 HA ILE 42 HA ILE 42 50.000 62.999 49.952 331 HB ILE 42 HB ILE 42 48.750 62.959 48.050 332 1HG1 ILE 42 2HG1 ILE 42 46.688 64.775 49.243 333 2HG1 ILE 42 1HG1 ILE 42 48.381 65.398 48.993 334 1HG2 ILE 42 1HG2 ILE 42 47.069 61.309 49.014 335 2HG2 ILE 42 2HG2 ILE 42 46.327 62.511 47.955 336 3HG2 ILE 42 3HG2 ILE 42 46.171 62.607 49.788 337 1HD1 ILE 42 1HD1 ILE 42 46.425 65.445 46.983 338 2HD1 ILE 42 2HD1 ILE 42 47.273 63.873 46.643 339 3HD1 ILE 42 3HD1 ILE 42 48.174 65.438 46.659 340 H ILE 43 H ILE 43 50.744 64.575 50.832 341 HA ILE 43 HA ILE 43 49.436 66.105 53.015 342 HB ILE 43 HB ILE 43 52.076 66.407 51.543 343 1HG1 ILE 43 2HG1 ILE 43 51.660 64.671 54.044 344 2HG1 ILE 43 1HG1 ILE 43 51.700 63.974 52.368 345 1HG2 ILE 43 1HG2 ILE 43 52.786 66.838 54.172 346 2HG2 ILE 43 2HG2 ILE 43 51.018 67.356 54.257 347 3HG2 ILE 43 3HG2 ILE 43 52.123 68.137 53.069 348 1HD1 ILE 43 1HD1 ILE 43 53.934 63.771 52.818 349 2HD1 ILE 43 2HD1 ILE 43 54.012 65.118 54.039 350 3HD1 ILE 43 3HD1 ILE 43 53.955 65.514 52.306 351 H VAL 44 H VAL 44 49.806 68.511 53.096 352 HA VAL 44 HA VAL 44 50.068 69.729 50.329 353 HB VAL 44 HB VAL 44 47.843 68.700 50.405 354 1HG1 VAL 44 1HG1 VAL 44 47.581 69.697 52.995 355 2HG1 VAL 44 2HG1 VAL 44 46.259 69.025 51.900 356 3HG1 VAL 44 3HG1 VAL 44 46.533 70.782 51.995 357 1HG2 VAL 44 1HG2 VAL 44 48.564 71.356 49.485 358 2HG2 VAL 44 2HG2 VAL 44 46.984 71.536 50.313 359 3HG2 VAL 44 3HG2 VAL 44 47.114 70.416 48.892 360 H GLN 45 H GLN 45 51.561 70.287 52.520 361 HA GLN 45 HA GLN 45 50.846 72.209 54.339 362 1HB GLN 45 2HB GLN 45 53.413 71.843 52.708 363 2HB GLN 45 1HB GLN 45 53.376 72.989 54.104 364 1HG GLN 45 2HG GLN 45 52.991 71.266 55.670 365 2HG GLN 45 1HG GLN 45 52.376 70.107 54.344 366 1HE2 GLN 45 1HE2 GLN 45 53.935 68.657 55.195 367 2HE2 GLN 45 2HE2 GLN 45 55.790 68.926 54.790 368 H ASP 46 H ASP 46 50.957 74.112 54.752 369 HA ASP 46 HA ASP 46 50.975 76.042 52.517 370 1HB ASP 46 2HB ASP 46 48.679 74.922 52.847 371 2HB ASP 46 1HB ASP 46 48.478 75.915 54.383 372 H GLY 47 H GLY 47 52.473 75.571 54.895 373 1HA GLY 47 1HA GLY 47 53.506 77.760 55.920 374 2HA GLY 47 2HA GLY 47 51.778 78.011 56.572 375 H ASP 48 H ASP 48 51.156 77.165 58.257 376 HA ASP 48 HA ASP 48 53.021 75.255 59.666 377 1HB ASP 48 2HB ASP 48 52.033 77.950 60.433 378 2HB ASP 48 1HB ASP 48 51.590 76.679 61.742 379 H ASN 49 H ASN 49 50.407 75.346 58.201 380 HA ASN 49 HA ASN 49 48.873 73.344 59.862 381 1HB ASN 49 2HB ASN 49 46.777 74.638 58.649 382 2HB ASN 49 1HB ASN 49 47.394 74.957 60.350 383 1HD2 ASN 49 2HD2 ASN 49 47.048 75.869 57.075 384 2HD2 ASN 49 1HD2 ASN 49 47.732 77.619 57.235 385 H PHE 50 H PHE 50 49.709 71.818 58.735 386 HA PHE 50 HA PHE 50 48.686 71.594 55.907 387 1HB PHE 50 2HB PHE 50 50.655 70.351 55.281 388 2HB PHE 50 1HB PHE 50 51.247 71.722 56.307 389 HD1 PHE 50 HD1 PHE 50 52.070 71.490 58.487 390 HD2 PHE 50 HD2 PHE 50 50.538 68.142 56.333 391 HE1 PHE 50 HE1 PHE 50 53.063 69.858 60.247 392 HE2 PHE 50 HE2 PHE 50 51.466 66.567 57.974 393 HZ PHE 50 HZ PHE 50 52.724 67.477 59.920 394 H LYS 51 H LYS 51 48.002 69.519 55.114 395 HA LYS 51 HA LYS 51 47.626 67.586 57.349 396 1HB LYS 51 2HB LYS 51 45.566 68.397 57.592 397 2HB LYS 51 1HB LYS 51 45.583 69.232 55.963 398 1HG LYS 51 2HG LYS 51 45.221 66.132 56.129 399 2HG LYS 51 1HG LYS 51 43.828 67.256 56.457 400 1HD LYS 51 2HD LYS 51 45.390 68.199 54.207 401 2HD LYS 51 1HD LYS 51 44.901 66.407 53.958 402 1HE LYS 51 2HE LYS 51 42.609 67.142 54.741 403 2HE LYS 51 1HE LYS 51 43.190 68.872 54.470 404 1HZ LYS 51 1HZ LYS 51 43.535 68.286 52.161 405 2HZ LYS 51 2HZ LYS 51 41.967 67.888 52.528 406 3HZ LYS 51 3HZ LYS 51 43.160 66.672 52.477 407 H THR 52 H THR 52 47.342 65.581 56.872 408 HA THR 52 HA THR 52 47.546 64.653 54.014 409 HB THR 52 HB THR 52 49.750 64.172 54.526 410 HG1 THR 52 1HG THR 52 49.339 62.601 56.600 411 1HG2 THR 52 1HG2 THR 52 49.132 64.584 57.593 412 2HG2 THR 52 2HG2 THR 52 49.695 65.909 56.488 413 3HG2 THR 52 3HG2 THR 52 50.754 64.516 56.822 414 H LYS 53 H LYS 53 46.760 62.624 53.684 415 HA LYS 53 HA LYS 53 45.789 60.988 56.068 416 1HB LYS 53 2HB LYS 53 43.621 60.837 54.150 417 2HB LYS 53 1HB LYS 53 43.604 61.648 55.754 418 1HG LYS 53 2HG LYS 53 42.800 63.252 54.289 419 2HG LYS 53 1HG LYS 53 44.535 63.749 54.465 420 1HD LYS 53 2HD LYS 53 44.615 63.880 52.311 421 2HD LYS 53 1HD LYS 53 44.780 62.050 52.365 422 1HE LYS 53 2HE LYS 53 42.080 62.052 52.261 423 2HE LYS 53 1HE LYS 53 42.388 63.707 51.498 424 1HZ LYS 53 1HZ LYS 53 42.497 61.336 50.252 425 2HZ LYS 53 2HZ LYS 53 44.117 61.674 50.479 426 3HZ LYS 53 3HZ LYS 53 43.162 62.789 49.737 427 H THR 54 H THR 54 46.255 59.097 55.884 428 HA THR 54 HA THR 54 47.548 58.079 53.505 429 HB THR 54 HB THR 54 48.198 56.190 54.692 430 HG1 THR 54 1HG THR 54 46.264 55.655 55.550 431 1HG2 THR 54 1HG2 THR 54 49.597 57.772 55.603 432 2HG2 THR 54 2HG2 THR 54 48.683 57.396 57.162 433 3HG2 THR 54 3HG2 THR 54 48.296 58.854 56.216 434 H ASN 55 H ASN 55 46.851 55.972 52.536 435 HA ASN 55 HA ASN 55 43.904 55.425 52.778 436 1HB ASN 55 2HB ASN 55 44.788 57.105 50.873 437 2HB ASN 55 1HB ASN 55 44.888 55.492 49.942 438 1HD2 ASN 55 2HD2 ASN 55 42.797 54.146 50.956 439 2HD2 ASN 55 1HD2 ASN 55 41.223 55.148 50.638 440 H SER 56 H SER 56 44.773 53.783 53.973 441 HA SER 56 HA SER 56 45.630 51.343 52.328 442 1HB SER 56 2HB SER 56 46.859 52.155 54.588 443 2HB SER 56 1HB SER 56 45.334 51.342 55.345 444 HG SER 56 HG SER 56 46.207 49.595 54.967 445 H THR 57 H THR 57 44.656 49.371 52.958 446 HA THR 57 HA THR 57 41.695 49.796 52.883 447 HB THR 57 HB THR 57 43.340 47.260 52.322 448 HG1 THR 57 1HG THR 57 43.715 48.670 50.702 449 1HG2 THR 57 1HG2 THR 57 40.830 47.400 50.971 450 2HG2 THR 57 2HG2 THR 57 40.434 47.756 52.708 451 3HG2 THR 57 3HG2 THR 57 41.295 46.225 52.286 452 H PHE 58 H PHE 58 44.172 49.288 54.871 453 HA PHE 58 HA PHE 58 42.753 47.611 56.886 454 1HB PHE 58 2HB PHE 58 45.422 47.827 56.271 455 2HB PHE 58 1HB PHE 58 45.319 48.880 57.769 456 HD1 PHE 58 HD1 PHE 58 46.120 47.562 59.620 457 HD2 PHE 58 HD2 PHE 58 43.569 45.787 56.687 458 HE1 PHE 58 HE1 PHE 58 46.037 45.421 60.963 459 HE2 PHE 58 HE2 PHE 58 43.505 43.691 58.012 460 HZ PHE 58 HZ PHE 58 44.724 43.535 60.130 461 H ARG 59 H ARG 59 44.570 50.776 57.226 462 HA ARG 59 HA ARG 59 42.249 51.642 59.024 463 1HB ARG 59 2HB ARG 59 45.166 51.178 59.721 464 2HB ARG 59 1HB ARG 59 44.261 52.575 60.530 465 1HG ARG 59 2HG ARG 59 43.535 51.067 62.033 466 2HG ARG 59 1HG ARG 59 42.478 50.520 60.633 467 1HD ARG 59 2HD ARG 59 44.686 49.175 59.921 468 2HD ARG 59 1HD ARG 59 45.075 49.328 61.655 469 HE ARG 59 HE ARG 59 43.007 47.646 60.450 470 1HH1 ARG 59 1HH2 ARG 59 44.115 49.396 63.338 471 2HH1 ARG 59 2HH2 ARG 59 43.225 48.434 64.492 472 1HH2 ARG 59 2HH1 ARG 59 41.805 46.291 62.040 473 2HH2 ARG 59 1HH1 ARG 59 41.909 46.641 63.747 474 H ASN 60 H ASN 60 41.766 53.528 58.862 475 HA ASN 60 HA ASN 60 43.282 55.243 56.983 476 1HB ASN 60 2HB ASN 60 40.756 55.750 58.689 477 2HB ASN 60 1HB ASN 60 41.360 56.946 57.365 478 1HD2 ASN 60 2HD2 ASN 60 38.810 55.273 57.819 479 2HD2 ASN 60 1HD2 ASN 60 38.711 54.424 56.289 480 H TYR 61 H TYR 61 44.866 56.346 57.578 481 HA TYR 61 HA TYR 61 44.942 57.500 60.320 482 1HB TYR 61 2HB TYR 61 46.543 55.548 59.610 483 2HB TYR 61 1HB TYR 61 47.482 56.845 58.689 484 HD1 TYR 61 HD1 TYR 61 47.215 59.051 60.434 485 HD2 TYR 61 HD2 TYR 61 47.950 54.961 61.518 486 HE1 TYR 61 HE1 TYR 61 48.276 59.912 62.410 487 HE2 TYR 61 HE2 TYR 61 49.035 55.772 63.538 488 HH TYR 61 HH TYR 61 50.142 57.811 64.445 489 H ASP 62 H ASP 62 44.882 59.499 60.351 490 HA ASP 62 HA ASP 62 45.812 61.171 58.031 491 1HB ASP 62 2HB ASP 62 43.994 62.842 59.020 492 2HB ASP 62 1HB ASP 62 43.496 61.296 58.006 493 H LEU 63 H LEU 63 47.806 61.662 58.785 494 HA LEU 63 HA LEU 63 48.267 62.532 61.545 495 1HB LEU 63 2HB LEU 63 49.842 61.640 59.501 496 2HB LEU 63 1HB LEU 63 50.237 63.409 59.386 497 HG LEU 63 HG LEU 63 51.864 62.237 60.943 498 1HD1 LEU 63 1HD1 LEU 63 49.741 63.971 62.396 499 2HD1 LEU 63 2HD1 LEU 63 51.362 64.434 61.702 500 3HD1 LEU 63 3HD1 LEU 63 51.273 63.384 63.148 501 1HD2 LEU 63 1HD2 LEU 63 51.244 60.500 62.216 502 2HD2 LEU 63 2HD2 LEU 63 49.740 60.548 61.230 503 3HD2 LEU 63 3HD2 LEU 63 49.796 61.412 62.879 504 H ASP 64 H ASP 64 46.221 64.056 61.124 505 HA ASP 64 HA ASP 64 46.901 66.662 60.027 506 1HB ASP 64 2HB ASP 64 44.613 66.110 60.189 507 2HB ASP 64 1HB ASP 64 44.751 65.523 61.965 508 H PHE 65 H PHE 65 48.131 68.161 60.805 509 HA PHE 65 HA PHE 65 48.349 68.864 63.575 510 1HB PHE 65 2HB PHE 65 49.483 66.833 64.111 511 2HB PHE 65 1HB PHE 65 50.293 66.814 62.489 512 HD1 PHE 65 HD1 PHE 65 52.540 66.954 62.823 513 HD2 PHE 65 HD2 PHE 65 49.842 69.440 65.132 514 HE1 PHE 65 HE1 PHE 65 54.452 68.076 63.802 515 HE2 PHE 65 HE2 PHE 65 51.786 70.595 66.137 516 HZ PHE 65 HZ PHE 65 54.084 69.928 65.495 517 H THR 66 H THR 66 49.293 70.684 63.717 518 HA THR 66 HA THR 66 50.084 72.253 61.336 519 HB THR 66 HB THR 66 50.892 73.693 63.561 520 HG1 THR 66 1HG THR 66 49.461 72.998 65.166 521 1HG2 THR 66 1HG2 THR 66 48.669 74.765 63.289 522 2HG2 THR 66 2HG2 THR 66 47.903 73.083 63.341 523 3HG2 THR 66 3HG2 THR 66 48.634 73.705 61.832 524 H VAL 67 H VAL 67 52.190 73.711 61.648 525 HA VAL 67 HA VAL 67 54.250 71.530 61.774 526 HB VAL 67 HB VAL 67 54.352 74.481 60.897 527 1HG1 VAL 67 1HG1 VAL 67 56.564 73.585 61.671 528 2HG1 VAL 67 2HG1 VAL 67 56.504 73.982 59.891 529 3HG1 VAL 67 3HG1 VAL 67 56.426 72.225 60.401 530 1HG2 VAL 67 1HG2 VAL 67 54.876 72.193 58.966 531 2HG2 VAL 67 2HG2 VAL 67 53.759 73.620 58.807 532 3HG2 VAL 67 3HG2 VAL 67 53.281 72.145 59.795 533 H GLY 68 H GLY 68 55.023 70.978 63.506 534 1HA GLY 68 1HA GLY 68 56.012 71.053 65.579 535 2HA GLY 68 2HA GLY 68 56.867 72.521 64.913 536 H VAL 69 H VAL 69 53.446 72.530 65.281 537 HA VAL 69 HA VAL 69 53.842 74.685 67.331 538 HB VAL 69 HB VAL 69 51.555 73.570 65.528 539 1HG1 VAL 69 1HG1 VAL 69 49.819 75.035 66.562 540 2HG1 VAL 69 2HG1 VAL 69 50.884 75.293 67.976 541 3HG1 VAL 69 3HG1 VAL 69 50.415 73.584 67.497 542 1HG2 VAL 69 1HG2 VAL 69 51.929 75.425 64.363 543 2HG2 VAL 69 2HG2 VAL 69 53.280 75.826 65.412 544 3HG2 VAL 69 3HG2 VAL 69 51.591 76.538 65.775 545 H GLU 70 H GLU 70 53.501 71.545 66.981 546 HA GLU 70 HA GLU 70 53.268 69.917 68.541 547 1HB GLU 70 2HB GLU 70 54.099 72.024 70.116 548 2HB GLU 70 1HB GLU 70 52.621 71.385 71.021 549 1HG GLU 70 2HG GLU 70 54.866 69.631 69.999 550 2HG GLU 70 1HG GLU 70 54.689 70.259 71.788 551 H PHE 71 H PHE 71 51.839 68.590 68.949 552 HA PHE 71 HA PHE 71 49.127 69.544 69.767 553 1HB PHE 71 2HB PHE 71 49.454 69.431 67.044 554 2HB PHE 71 1HB PHE 71 48.901 67.748 67.371 555 HD1 PHE 71 HD1 PHE 71 47.833 71.111 66.838 556 HD2 PHE 71 HD2 PHE 71 46.875 67.608 69.056 557 HE1 PHE 71 HE1 PHE 71 45.582 71.890 67.118 558 HE2 PHE 71 HE2 PHE 71 44.509 68.402 69.357 559 HZ PHE 71 HZ PHE 71 43.867 70.663 68.333 560 H ASP 72 H ASP 72 48.236 68.263 71.129 561 HA ASP 72 HA ASP 72 49.199 65.531 71.670 562 1HB ASP 72 2HB ASP 72 46.994 67.382 72.795 563 2HB ASP 72 1HB ASP 72 47.541 65.797 73.572 564 H GLU 73 H GLU 73 48.081 65.327 69.254 565 HA GLU 73 HA GLU 73 45.199 64.683 69.228 566 1HB GLU 73 2HB GLU 73 45.651 63.935 66.986 567 2HB GLU 73 1HB GLU 73 46.901 65.217 67.209 568 1HG GLU 73 2HG GLU 73 48.617 63.610 67.772 569 2HG GLU 73 1HG GLU 73 47.355 62.220 67.681 570 H HIS 74 H HIS 74 45.006 62.253 68.145 571 HA HIS 74 HA HIS 74 46.469 60.392 69.872 572 1HB HIS 74 2HB HIS 74 44.360 59.367 70.887 573 2HB HIS 74 1HB HIS 74 44.642 61.109 71.436 574 HD1 HIS 74 HD1 HIS 74 42.707 62.790 70.624 575 HD2 HIS 74 HD2 HIS 74 42.698 58.924 68.929 576 HE1 HIS 74 HE1 HIS 74 40.534 62.557 69.255 577 HE2 HIS 74 HE2 HIS 74 40.527 60.189 68.213 578 H THR 75 H THR 75 46.211 58.248 69.449 579 HA THR 75 HA THR 75 45.334 57.774 66.633 580 HB THR 75 HB THR 75 46.897 55.613 67.343 581 HG1 THR 75 1HG THR 75 48.563 56.919 68.563 582 1HG2 THR 75 1HG2 THR 75 47.456 58.613 66.548 583 2HG2 THR 75 2HG2 THR 75 47.728 57.149 65.510 584 3HG2 THR 75 3HG2 THR 75 48.897 57.547 66.790 585 H LYS 76 H LYS 76 43.223 57.707 67.509 586 HA LYS 76 HA LYS 76 42.432 55.231 68.998 587 1HB LYS 76 2HB LYS 76 40.998 57.825 68.081 588 2HB LYS 76 1HB LYS 76 40.101 56.268 68.296 589 1HG LYS 76 2HG LYS 76 41.436 55.973 70.519 590 2HG LYS 76 1HG LYS 76 41.938 57.706 70.259 591 1HD LYS 76 2HD LYS 76 40.060 57.963 71.634 592 2HD LYS 76 1HD LYS 76 39.337 58.146 69.937 593 1HE LYS 76 2HE LYS 76 38.244 56.115 70.080 594 2HE LYS 76 1HE LYS 76 39.571 55.368 71.070 595 1HZ LYS 76 1HZ LYS 76 38.620 56.002 72.969 596 2HZ LYS 76 2HZ LYS 76 37.182 55.933 72.087 597 3HZ LYS 76 3HZ LYS 76 37.953 57.395 72.439 598 H GLY 77 H GLY 77 42.784 53.562 67.946 599 1HA GLY 77 1HA GLY 77 41.058 52.112 66.643 600 2HA GLY 77 2HA GLY 77 41.323 53.289 65.284 601 H LEU 78 H LEU 78 43.999 53.767 65.967 602 HA LEU 78 HA LEU 78 45.261 51.466 64.535 603 1HB LEU 78 2HB LEU 78 45.359 54.360 64.417 604 2HB LEU 78 1HB LEU 78 47.052 53.699 64.754 605 HG LEU 78 HG LEU 78 45.408 52.248 62.662 606 1HD1 LEU 78 1HD1 LEU 78 45.997 54.139 60.945 607 2HD1 LEU 78 2HD1 LEU 78 45.842 55.199 62.422 608 3HD1 LEU 78 3HD1 LEU 78 44.442 54.181 61.889 609 1HD2 LEU 78 1HD2 LEU 78 47.736 52.919 61.419 610 2HD2 LEU 78 2HD2 LEU 78 47.724 51.674 62.771 611 3HD2 LEU 78 3HD2 LEU 78 48.298 53.325 63.090 612 H ASP 79 H ASP 79 44.610 51.607 67.373 613 HA ASP 79 HA ASP 79 45.500 51.153 69.431 614 1HB ASP 79 2HB ASP 79 47.241 49.736 67.340 615 2HB ASP 79 1HB ASP 79 47.498 49.469 69.169 616 H GLY 80 H GLY 80 46.036 53.309 69.715 617 1HA GLY 80 1HA GLY 80 48.708 53.646 70.722 618 2HA GLY 80 2HA GLY 80 48.270 54.845 69.382 619 H ARG 81 H ARG 81 45.876 55.251 69.806 620 HA ARG 81 HA ARG 81 44.208 56.443 70.879 621 1HB ARG 81 2HB ARG 81 45.486 55.202 73.414 622 2HB ARG 81 1HB ARG 81 43.759 55.863 73.275 623 1HG ARG 81 2HG ARG 81 43.009 54.034 71.977 624 2HG ARG 81 1HG ARG 81 44.661 53.665 71.327 625 1HD ARG 81 2HD ARG 81 45.312 52.917 73.626 626 2HD ARG 81 1HD ARG 81 43.598 53.205 74.197 627 HE ARG 81 HE ARG 81 43.719 51.548 71.814 628 1HH1 ARG 81 2HH2 ARG 81 44.041 51.616 75.400 629 2HH1 ARG 81 1HH2 ARG 81 43.606 49.936 75.617 630 1HH2 ARG 81 2HH1 ARG 81 43.137 49.274 72.123 631 2HH2 ARG 81 1HH1 ARG 81 43.082 48.558 73.734 632 H ASN 82 H ASN 82 47.407 57.451 71.263 633 HA ASN 82 HA ASN 82 46.569 60.019 71.809 634 1HB ASN 82 2HB ASN 82 46.001 59.997 74.016 635 2HB ASN 82 1HB ASN 82 46.884 58.398 74.356 636 1HD2 ASN 82 2HD2 ASN 82 48.816 58.336 74.917 637 2HD2 ASN 82 1HD2 ASN 82 49.799 59.651 75.529 638 H VAL 83 H VAL 83 47.937 61.134 70.917 639 HA VAL 83 HA VAL 83 50.807 60.614 71.568 640 HB VAL 83 HB VAL 83 51.190 61.261 69.020 641 1HG1 VAL 83 1HG1 VAL 83 50.969 58.781 70.679 642 2HG1 VAL 83 2HG1 VAL 83 52.371 59.400 69.762 643 3HG1 VAL 83 3HG1 VAL 83 51.051 58.433 68.910 644 1HG2 VAL 83 1HG2 VAL 83 49.610 60.115 67.527 645 2HG2 VAL 83 2HG2 VAL 83 48.506 60.864 68.707 646 3HG2 VAL 83 3HG2 VAL 83 48.973 59.086 68.902 647 H LYS 84 H LYS 84 52.298 62.152 70.813 648 HA LYS 84 HA LYS 84 51.187 64.968 70.584 649 1HB LYS 84 2HB LYS 84 52.947 63.813 72.623 650 2HB LYS 84 1HB LYS 84 53.626 65.306 71.857 651 1HG LYS 84 2HG LYS 84 52.182 66.283 73.540 652 2HG LYS 84 1HG LYS 84 51.046 66.154 72.124 653 1HD LYS 84 2HD LYS 84 49.980 65.198 74.098 654 2HD LYS 84 1HD LYS 84 50.427 63.810 72.984 655 1HE LYS 84 2HE LYS 84 51.834 62.928 74.685 656 2HE LYS 84 1HE LYS 84 52.704 64.555 74.628 657 1HZ LYS 84 1HZ LYS 84 51.836 64.311 76.839 658 2HZ LYS 84 2HZ LYS 84 50.327 63.906 76.251 659 3HZ LYS 84 3HZ LYS 84 50.933 65.441 75.999 660 H THR 85 H THR 85 51.527 65.353 68.641 661 HA THR 85 HA THR 85 53.917 64.570 67.079 662 HB THR 85 HB THR 85 51.513 66.322 66.467 663 HG1 THR 85 1HG THR 85 50.426 64.520 66.253 664 1HG2 THR 85 1HG2 THR 85 53.558 65.772 64.767 665 2HG2 THR 85 2HG2 THR 85 51.910 65.406 64.085 666 3HG2 THR 85 3HG2 THR 85 52.971 64.085 64.793 667 H LEU 86 H LEU 86 55.552 65.625 66.680 668 HA LEU 86 HA LEU 86 55.445 68.605 66.625 669 1HB LEU 86 2HB LEU 86 56.377 67.802 68.871 670 2HB LEU 86 1HB LEU 86 57.800 67.116 67.898 671 HG LEU 86 HG LEU 86 57.385 69.916 67.057 672 1HD1 LEU 86 1HD1 LEU 86 57.260 69.235 70.025 673 2HD1 LEU 86 2HD1 LEU 86 56.427 70.562 69.088 674 3HD1 LEU 86 3HD1 LEU 86 58.195 70.707 69.428 675 1HD2 LEU 86 1HD2 LEU 86 59.496 68.371 67.079 676 2HD2 LEU 86 2HD2 LEU 86 59.483 68.627 68.925 677 3HD2 LEU 86 3HD2 LEU 86 59.766 69.999 67.823 678 H VAL 87 H VAL 87 55.902 69.214 64.724 679 HA VAL 87 HA VAL 87 57.961 67.734 63.177 680 HB VAL 87 HB VAL 87 55.330 69.189 62.463 681 1HG1 VAL 87 1HG1 VAL 87 56.862 70.529 61.214 682 2HG1 VAL 87 2HG1 VAL 87 56.052 69.376 60.114 683 3HG1 VAL 87 3HG1 VAL 87 57.774 69.087 60.656 684 1HG2 VAL 87 1HG2 VAL 87 56.074 67.180 60.514 685 2HG2 VAL 87 2HG2 VAL 87 54.908 66.948 61.862 686 3HG2 VAL 87 3HG2 VAL 87 56.674 66.525 62.065 687 H THR 88 H THR 88 59.694 68.647 62.632 688 HA THR 88 HA THR 88 59.985 71.604 62.778 689 HB THR 88 HB THR 88 62.275 71.093 63.649 690 HG1 THR 88 1HG THR 88 62.224 68.721 64.535 691 1HG2 THR 88 1HG2 THR 88 59.990 71.242 65.037 692 2HG2 THR 88 2HG2 THR 88 61.468 70.748 65.917 693 3HG2 THR 88 3HG2 THR 88 60.243 69.482 65.345 694 H TRP 89 H TRP 89 60.365 72.320 60.840 695 HA TRP 89 HA TRP 89 61.049 70.983 58.367 696 1HB TRP 89 2HB TRP 89 61.171 73.833 59.507 697 2HB TRP 89 1HB TRP 89 62.113 73.522 58.021 698 HD1 TRP 89 HD1 TRP 89 58.576 73.585 59.452 699 HE1 TRP 89 HE1 TRP 89 56.899 73.288 57.478 700 HE3 TRP 89 HE3 TRP 89 61.953 72.523 55.874 701 HZ2 TRP 89 HZ2 TRP 89 57.155 72.665 54.649 702 HZ3 TRP 89 HZ3 TRP 89 61.257 72.099 53.600 703 HH2 TRP 89 HH2 TRP 89 58.887 72.171 53.033 704 H GLU 90 H GLU 90 62.893 70.574 57.277 705 HA GLU 90 HA GLU 90 65.291 71.353 58.752 706 1HB GLU 90 2HB GLU 90 64.068 68.720 59.035 707 2HB GLU 90 1HB GLU 90 65.584 68.498 58.095 708 1HG GLU 90 2HG GLU 90 66.466 70.219 60.135 709 2HG GLU 90 1HG GLU 90 65.229 69.148 60.994 710 H GLY 91 H GLY 91 65.460 72.604 57.054 711 1HA GLY 91 1HA GLY 91 66.559 73.216 55.117 712 2HA GLY 91 2HA GLY 91 67.238 71.508 54.953 713 H ASN 92 H ASN 92 65.764 69.949 54.319 714 HA ASN 92 HA ASN 92 63.514 70.851 52.538 715 1HB ASN 92 2HB ASN 92 65.646 70.405 51.174 716 2HB ASN 92 1HB ASN 92 65.573 68.645 51.788 717 1HD2 ASN 92 1HD2 ASN 92 64.902 67.473 50.213 718 2HD2 ASN 92 2HD2 ASN 92 63.485 67.789 49.186 719 H THR 93 H THR 93 63.415 69.986 55.085 720 HA THR 93 HA THR 93 61.782 67.477 54.773 721 HB THR 93 HB THR 93 63.462 67.361 57.214 722 HG1 THR 93 1HG THR 93 65.211 67.063 56.300 723 1HG2 THR 93 1HG2 THR 93 63.181 64.949 56.702 724 2HG2 THR 93 2HG2 THR 93 63.139 65.273 54.934 725 3HG2 THR 93 3HG2 THR 93 61.668 65.626 55.909 726 H LEU 94 H LEU 94 61.312 66.924 57.433 727 HA LEU 94 HA LEU 94 60.343 69.221 58.878 728 1HB LEU 94 2HB LEU 94 57.825 68.810 58.397 729 2HB LEU 94 1HB LEU 94 58.772 69.452 56.990 730 HG LEU 94 HG LEU 94 59.104 66.621 57.063 731 1HD1 LEU 94 1HD1 LEU 94 56.243 67.608 57.522 732 2HD1 LEU 94 2HD1 LEU 94 57.044 66.140 58.206 733 3HD1 LEU 94 3HD1 LEU 94 56.468 66.124 56.500 734 1HD2 LEU 94 1HD2 LEU 94 57.221 67.496 54.952 735 2HD2 LEU 94 2HD2 LEU 94 58.909 66.842 54.834 736 3HD2 LEU 94 3HD2 LEU 94 58.608 68.615 55.078 737 H VAL 95 H VAL 95 61.800 67.375 59.533 738 HA VAL 95 HA VAL 95 61.281 64.941 60.460 739 HB VAL 95 HB VAL 95 62.172 67.179 62.379 740 1HG1 VAL 95 1HG1 VAL 95 61.893 64.821 63.364 741 2HG1 VAL 95 2HG1 VAL 95 63.664 65.292 63.324 742 3HG1 VAL 95 3HG1 VAL 95 62.913 64.241 62.049 743 1HG2 VAL 95 1HG2 VAL 95 64.570 66.265 61.432 744 2HG2 VAL 95 2HG2 VAL 95 63.615 67.651 60.657 745 3HG2 VAL 95 3HG2 VAL 95 63.561 65.954 59.957 746 H CYS 96 H CYS 96 59.372 64.280 61.030 747 HA CYS 96 HA CYS 96 57.913 65.501 63.343 748 1HB CYS 96 2HB CYS 96 56.742 64.633 61.030 749 2HB CYS 96 1HB CYS 96 57.062 62.996 61.639 750 HG CYS 96 HG CYS 96 55.644 65.390 63.428 751 H VAL 97 H VAL 97 57.377 64.248 64.964 752 HA VAL 97 HA VAL 97 58.354 61.595 65.569 753 HB VAL 97 HB VAL 97 59.242 63.180 67.770 754 1HG1 VAL 97 1HG1 VAL 97 61.099 61.819 67.459 755 2HG1 VAL 97 2HG1 VAL 97 61.405 62.349 65.744 756 3HG1 VAL 97 3HG1 VAL 97 60.196 61.071 66.112 757 1HG2 VAL 97 1HG2 VAL 97 60.753 64.762 66.882 758 2HG2 VAL 97 2HG2 VAL 97 59.093 65.117 66.255 759 3HG2 VAL 97 3HG2 VAL 97 60.387 64.338 65.162 760 H GLN 98 H GLN 98 57.464 60.779 67.396 761 HA GLN 98 HA GLN 98 55.018 62.167 68.510 762 1HB GLN 98 2HB GLN 98 55.528 59.543 67.192 763 2HB GLN 98 1HB GLN 98 54.625 59.367 68.773 764 1HG GLN 98 2HG GLN 98 52.731 60.385 67.861 765 2HG GLN 98 1HG GLN 98 53.726 61.613 66.901 766 1HE2 GLN 98 2HE2 GLN 98 52.222 58.537 67.153 767 2HE2 GLN 98 1HE2 GLN 98 52.286 58.130 65.407 768 H LYS 99 H LYS 99 54.253 61.702 70.367 769 HA LYS 99 HA LYS 99 56.090 60.284 72.306 770 1HB LYS 99 2HB LYS 99 54.680 62.883 73.044 771 2HB LYS 99 1HB LYS 99 56.064 62.073 73.909 772 1HG LYS 99 2HG LYS 99 56.462 63.115 71.084 773 2HG LYS 99 1HG LYS 99 56.483 64.335 72.395 774 1HD LYS 99 2HD LYS 99 58.272 62.711 73.555 775 2HD LYS 99 1HD LYS 99 58.295 61.823 71.959 776 1HE LYS 99 2HE LYS 99 59.696 63.318 71.137 777 2HE LYS 99 1HE LYS 99 58.401 64.606 71.368 778 1HZ LYS 99 1HZ LYS 99 60.579 65.128 72.513 779 2HZ LYS 99 2HZ LYS 99 60.476 63.717 73.361 780 3HZ LYS 99 3HZ LYS 99 59.343 64.896 73.621 781 H GLY 100 H GLY 100 55.034 59.560 74.019 782 1HA GLY 100 1HA GLY 100 52.748 59.772 75.373 783 2HA GLY 100 2HA GLY 100 52.015 59.198 73.855 784 H GLU 101 H GLU 101 52.772 57.418 72.879 785 HA GLU 101 HA GLU 101 53.929 55.355 74.794 786 1HB GLU 101 2HB GLU 101 51.299 55.224 74.054 787 2HB GLU 101 1HB GLU 101 52.004 54.555 72.520 788 1HG GLU 101 2HG GLU 101 53.047 52.750 73.787 789 2HG GLU 101 1HG GLU 101 52.726 53.604 75.406 790 H LYS 102 H LYS 102 54.696 57.272 72.497 791 HA LYS 102 HA LYS 102 56.184 55.296 70.757 792 1HB LYS 102 2HB LYS 102 55.125 58.134 70.378 793 2HB LYS 102 1HB LYS 102 56.600 57.512 69.457 794 1HG LYS 102 2HG LYS 102 54.769 56.981 67.975 795 2HG LYS 102 1HG LYS 102 54.925 55.456 68.935 796 1HD LYS 102 2HD LYS 102 53.271 57.119 70.507 797 2HD LYS 102 1HD LYS 102 52.656 57.274 68.787 798 1HE LYS 102 2HE LYS 102 52.230 54.956 68.585 799 2HE LYS 102 1HE LYS 102 53.312 54.600 70.013 800 1HZ LYS 102 1HZ LYS 102 50.560 55.830 69.850 801 2HZ LYS 102 2HZ LYS 102 51.548 56.137 71.137 802 3HZ LYS 102 3HZ LYS 102 51.077 54.572 70.862 803 H GLU 103 H GLU 103 56.640 58.592 71.648 804 HA GLU 103 HA GLU 103 58.248 59.827 72.627 805 1HB GLU 103 2HB GLU 103 59.695 57.151 73.203 806 2HB GLU 103 1HB GLU 103 60.014 58.790 73.974 807 1HG GLU 103 2HG GLU 103 57.551 58.803 74.633 808 2HG GLU 103 1HG GLU 103 57.650 56.926 74.441 809 H ASN 104 H ASN 104 59.047 57.541 70.136 810 HA ASN 104 HA ASN 104 60.998 59.429 69.243 811 1HB ASN 104 2HB ASN 104 61.850 57.476 71.008 812 2HB ASN 104 1HB ASN 104 62.041 56.491 69.488 813 1HD2 ASN 104 1HD2 ASN 104 62.682 58.539 67.746 814 2HD2 ASN 104 2HD2 ASN 104 64.350 59.259 68.285 815 H ARG 105 H ARG 105 58.540 58.736 68.207 816 HA ARG 105 HA ARG 105 59.250 56.910 65.911 817 1HB ARG 105 2HB ARG 105 57.227 56.051 67.290 818 2HB ARG 105 1HB ARG 105 56.403 57.560 66.852 819 1HG ARG 105 2HG ARG 105 57.325 56.885 64.332 820 2HG ARG 105 1HG ARG 105 57.116 55.227 65.033 821 1HD ARG 105 2HD ARG 105 54.896 55.292 64.853 822 2HD ARG 105 1HD ARG 105 54.839 56.804 65.830 823 HE ARG 105 HE ARG 105 55.812 57.331 63.168 824 1HH1 ARG 105 1HH1 ARG 105 52.899 56.399 64.855 825 2HH1 ARG 105 2HH1 ARG 105 51.716 57.036 63.724 826 1HH2 ARG 105 1HH2 ARG 105 54.188 58.288 61.423 827 2HH2 ARG 105 2HH2 ARG 105 52.522 58.094 61.800 828 H GLY 106 H GLY 106 60.215 58.215 64.806 829 1HA GLY 106 1HA GLY 106 58.516 60.542 63.654 830 2HA GLY 106 2HA GLY 106 60.305 60.595 63.907 831 H TRP 107 H TRP 107 59.266 61.298 61.655 832 HA TRP 107 HA TRP 107 60.559 59.305 59.928 833 1HB TRP 107 2HB TRP 107 58.512 60.296 58.250 834 2HB TRP 107 1HB TRP 107 58.708 58.603 58.908 835 HD1 TRP 107 HD1 TRP 107 57.481 58.299 61.542 836 HE1 TRP 107 HE1 TRP 107 55.418 59.305 62.534 837 HE3 TRP 107 HE3 TRP 107 57.196 62.029 58.240 838 HZ2 TRP 107 HZ2 TRP 107 53.912 61.466 61.868 839 HZ3 TRP 107 HZ3 TRP 107 55.345 63.627 58.430 840 HH2 TRP 107 HH2 TRP 107 53.747 63.292 60.267 841 H LYS 108 H LYS 108 61.937 59.871 58.642 842 HA LYS 108 HA LYS 108 62.411 62.723 57.955 843 1HB LYS 108 2HB LYS 108 63.995 60.101 57.356 844 2HB LYS 108 1HB LYS 108 64.682 61.820 57.321 845 1HG LYS 108 2HG LYS 108 63.527 61.734 59.817 846 2HG LYS 108 1HG LYS 108 64.219 60.056 59.686 847 1HD LYS 108 2HD LYS 108 66.476 60.832 59.572 848 2HD LYS 108 1HD LYS 108 66.005 62.400 58.851 849 1HE LYS 108 2HE LYS 108 66.166 63.222 61.011 850 2HE LYS 108 1HE LYS 108 64.626 62.302 61.370 851 1HZ LYS 108 1HZ LYS 108 66.734 60.529 61.452 852 2HZ LYS 108 2HZ LYS 108 65.845 61.117 62.740 853 3HZ LYS 108 3HZ LYS 108 67.332 61.799 62.311 854 H GLN 109 H GLN 109 60.534 62.609 56.790 855 HA GLN 109 HA GLN 109 60.526 61.133 54.182 856 1HB GLN 109 2HB GLN 109 58.564 61.840 55.735 857 2HB GLN 109 1HB GLN 109 58.566 63.399 54.767 858 1HG GLN 109 2HG GLN 109 58.707 61.665 52.719 859 2HG GLN 109 1HG GLN 109 58.218 60.427 54.017 860 1HE2 GLN 109 2HE2 GLN 109 56.505 59.961 53.287 861 2HE2 GLN 109 1HE2 GLN 109 54.974 61.016 53.287 862 H TRP 110 H TRP 110 62.952 62.427 53.841 863 HA TRP 110 HA TRP 110 62.348 65.199 52.964 864 1HB TRP 110 2HB TRP 110 64.547 65.454 53.045 865 2HB TRP 110 1HB TRP 110 64.422 63.875 54.012 866 HD1 TRP 110 HD1 TRP 110 65.207 65.250 50.553 867 HE1 TRP 110 HE1 TRP 110 66.674 63.395 49.375 868 HE3 TRP 110 HE3 TRP 110 64.806 61.810 54.098 869 HZ2 TRP 110 HZ2 TRP 110 67.422 60.775 50.125 870 HZ3 TRP 110 HZ3 TRP 110 65.887 59.583 53.925 871 HH2 TRP 110 HH2 TRP 110 67.146 59.099 51.986 872 H VAL 111 H VAL 111 61.636 65.809 51.041 873 HA VAL 111 HA VAL 111 61.016 63.773 49.033 874 HB VAL 111 HB VAL 111 60.969 66.866 49.103 875 1HG1 VAL 111 1HG1 VAL 111 59.363 65.057 47.154 876 2HG1 VAL 111 2HG1 VAL 111 60.716 66.202 46.788 877 3HG1 VAL 111 3HG1 VAL 111 59.189 66.847 47.367 878 1HG2 VAL 111 1HG2 VAL 111 58.855 64.798 50.112 879 2HG2 VAL 111 2HG2 VAL 111 58.478 66.469 49.561 880 3HG2 VAL 111 3HG2 VAL 111 59.641 66.237 50.940 881 H GLU 112 H GLU 112 61.838 63.358 47.103 882 HA GLU 112 HA GLU 112 64.277 64.887 46.348 883 1HB GLU 112 2HB GLU 112 63.628 61.910 46.300 884 2HB GLU 112 1HB GLU 112 64.864 62.573 45.191 885 1HG GLU 112 2HG GLU 112 65.767 63.784 47.390 886 2HG GLU 112 1HG GLU 112 64.737 62.395 48.199 887 H GLY 113 H GLY 113 61.699 62.811 45.114 888 1HA GLY 113 1HA GLY 113 60.204 64.019 43.320 889 2HA GLY 113 2HA GLY 113 61.786 64.041 42.391 890 H ASP 114 H ASP 114 58.989 62.610 42.684 891 HA ASP 114 HA ASP 114 58.067 60.526 42.449 892 1HB ASP 114 2HB ASP 114 58.817 59.637 39.955 893 2HB ASP 114 1HB ASP 114 58.110 61.334 40.136 894 H LYS 115 H LYS 115 59.907 60.339 44.160 895 HA LYS 115 HA LYS 115 60.373 57.684 44.709 896 1HB LYS 115 2HB LYS 115 62.201 58.507 42.495 897 2HB LYS 115 1HB LYS 115 63.128 58.198 44.001 898 1HG LYS 115 2HG LYS 115 62.887 56.024 42.812 899 2HG LYS 115 1HG LYS 115 62.041 56.103 44.419 900 1HD LYS 115 2HD LYS 115 59.858 56.696 43.099 901 2HD LYS 115 1HD LYS 115 60.733 56.290 41.592 902 1HE LYS 115 2HE LYS 115 61.242 54.307 43.740 903 2HE LYS 115 1HE LYS 115 59.480 54.618 43.584 904 1HZ LYS 115 1HZ LYS 115 59.765 54.258 41.149 905 2HZ LYS 115 2HZ LYS 115 60.070 52.822 41.970 906 3HZ LYS 115 3HZ LYS 115 61.329 53.761 41.387 907 H LEU 116 H LEU 116 60.365 58.013 46.782 908 HA LEU 116 HA LEU 116 62.654 59.813 47.636 909 1HB LEU 116 2HB LEU 116 61.410 61.177 49.131 910 2HB LEU 116 1HB LEU 116 60.518 61.271 47.575 911 HG LEU 116 HG LEU 116 59.593 59.098 49.358 912 1HD1 LEU 116 1HD1 LEU 116 59.558 62.092 50.300 913 2HD1 LEU 116 2HD1 LEU 116 59.877 60.539 51.210 914 3HD1 LEU 116 3HD1 LEU 116 58.183 61.057 50.649 915 1HD2 LEU 116 1HD2 LEU 116 58.473 59.634 47.321 916 2HD2 LEU 116 2HD2 LEU 116 58.156 61.388 47.805 917 3HD2 LEU 116 3HD2 LEU 116 57.363 60.057 48.682 918 H TYR 117 H TYR 117 62.924 59.964 49.998 919 HA TYR 117 HA TYR 117 62.594 57.132 50.950 920 1HB TYR 117 2HB TYR 117 64.857 59.178 50.826 921 2HB TYR 117 1HB TYR 117 64.912 57.920 52.150 922 HD1 TYR 117 HD1 TYR 117 66.661 58.466 49.291 923 HD2 TYR 117 HD2 TYR 117 63.676 55.494 50.447 924 HE1 TYR 117 HE1 TYR 117 67.488 56.933 47.634 925 HE2 TYR 117 HE2 TYR 117 64.565 54.037 48.766 926 HH TYR 117 HH TYR 117 65.815 53.922 46.895 927 H LEU 118 H LEU 118 61.826 56.728 52.765 928 HA LEU 118 HA LEU 118 61.484 59.038 54.696 929 1HB LEU 118 2HB LEU 118 59.342 58.549 53.497 930 2HB LEU 118 1HB LEU 118 59.573 56.753 53.737 931 HG LEU 118 HG LEU 118 59.208 56.971 56.206 932 1HD1 LEU 118 1HD1 LEU 118 59.651 59.762 55.490 933 2HD1 LEU 118 2HD1 LEU 118 59.730 59.007 57.107 934 3HD1 LEU 118 3HD1 LEU 118 58.119 59.649 56.431 935 1HD2 LEU 118 1HD2 LEU 118 57.081 56.684 54.953 936 2HD2 LEU 118 2HD2 LEU 118 57.167 58.418 54.368 937 3HD2 LEU 118 3HD2 LEU 118 56.828 58.025 56.113 938 H GLU 119 H GLU 119 63.037 58.632 56.105 939 HA GLU 119 HA GLU 119 63.648 55.844 56.950 940 1HB GLU 119 2HB GLU 119 65.009 58.215 58.204 941 2HB GLU 119 1HB GLU 119 65.560 56.592 57.748 942 1HG GLU 119 2HG GLU 119 64.848 57.508 55.229 943 2HG GLU 119 1HG GLU 119 65.317 59.081 56.077 944 H LEU 120 H LEU 120 62.332 54.918 58.278 945 HA LEU 120 HA LEU 120 60.909 56.552 60.270 946 1HB LEU 120 2HB LEU 120 60.772 53.798 59.227 947 2HB LEU 120 1HB LEU 120 60.413 53.920 61.008 948 HG LEU 120 HG LEU 120 59.134 55.376 58.631 949 1HD1 LEU 120 1HD1 LEU 120 58.335 53.093 60.356 950 2HD1 LEU 120 2HD1 LEU 120 57.581 53.664 58.784 951 3HD1 LEU 120 3HD1 LEU 120 57.022 54.359 60.331 952 1HD2 LEU 120 1HD2 LEU 120 59.025 57.114 60.295 953 2HD2 LEU 120 2HD2 LEU 120 58.770 56.006 61.658 954 3HD2 LEU 120 3HD2 LEU 120 57.447 56.289 60.426 955 H THR 121 H THR 121 61.446 56.845 62.251 956 HA THR 121 HA THR 121 63.934 55.387 63.240 957 HB THR 121 HB THR 121 63.987 57.565 64.827 958 HG1 THR 121 1HG THR 121 61.866 58.028 63.697 959 1HG2 THR 121 1HG2 THR 121 64.607 57.959 61.778 960 2HG2 THR 121 2HG2 THR 121 65.555 56.824 62.763 961 3HG2 THR 121 3HG2 THR 121 65.584 58.584 63.180 962 H CYS 122 H CYS 122 61.014 54.609 63.435 963 HA CYS 122 HA CYS 122 59.963 54.924 66.027 964 1HB CYS 122 2HB CYS 122 58.638 53.665 64.586 965 2HB CYS 122 1HB CYS 122 59.995 52.825 63.790 966 HG CYS 122 HG CYS 122 58.594 52.317 66.809 967 H GLY 123 H GLY 123 60.196 54.223 67.870 968 1HA GLY 123 1HA GLY 123 61.293 53.238 69.832 969 2HA GLY 123 2HA GLY 123 61.574 51.901 68.683 970 H ASP 124 H ASP 124 63.472 51.406 69.465 971 HA ASP 124 HA ASP 124 65.830 53.235 69.420 972 1HB ASP 124 2HB ASP 124 65.202 50.475 70.593 973 2HB ASP 124 1HB ASP 124 66.942 50.901 70.100 974 H GLN 125 H GLN 125 64.702 50.120 68.373 975 HA GLN 125 HA GLN 125 66.793 49.920 66.230 976 1HB GLN 125 2HB GLN 125 65.122 48.081 67.540 977 2HB GLN 125 1HB GLN 125 64.476 48.070 65.863 978 1HG GLN 125 2HG GLN 125 66.817 47.803 64.924 979 2HG GLN 125 1HG GLN 125 67.361 47.555 66.646 980 1HE2 GLN 125 2HE2 GLN 125 67.354 45.527 67.290 981 2HE2 GLN 125 1HE2 GLN 125 66.162 44.226 66.628 982 H VAL 126 H VAL 126 66.786 51.204 64.777 983 HA VAL 126 HA VAL 126 64.638 52.840 63.870 984 HB VAL 126 HB VAL 126 67.538 52.247 62.869 985 1HG1 VAL 126 1HG1 VAL 126 65.617 54.679 62.326 986 2HG1 VAL 126 2HG1 VAL 126 66.162 53.460 61.037 987 3HG1 VAL 126 3HG1 VAL 126 67.314 54.630 61.858 988 1HG2 VAL 126 1HG2 VAL 126 66.307 53.822 65.035 989 2HG2 VAL 126 2HG2 VAL 126 67.314 54.876 64.007 990 3HG2 VAL 126 3HG2 VAL 126 68.055 53.384 64.733 991 H CYS 127 H CYS 127 63.933 53.066 61.602 992 HA CYS 127 HA CYS 127 64.199 50.467 60.022 993 1HB CYS 127 2HB CYS 127 61.489 51.902 59.920 994 2HB CYS 127 1HB CYS 127 61.857 50.198 60.085 995 HG CYS 127 HG CYS 127 61.581 52.689 62.283 996 H ARG 128 H ARG 128 62.594 50.816 58.031 997 HA ARG 128 HA ARG 128 63.264 53.597 56.978 998 1HB ARG 128 2HB ARG 128 65.275 52.151 56.607 999 2HB ARG 128 1HB ARG 128 64.230 51.066 55.538 1000 1HG ARG 128 2HG ARG 128 63.610 53.113 54.171 1001 2HG ARG 128 1HG ARG 128 64.975 54.007 54.947 1002 1HD ARG 128 2HD ARG 128 66.313 51.797 54.287 1003 2HD ARG 128 1HD ARG 128 64.990 51.663 52.984 1004 HE ARG 128 HE ARG 128 65.864 53.521 51.886 1005 1HH1 ARG 128 2HH2 ARG 128 67.697 52.964 54.914 1006 2HH1 ARG 128 1HH2 ARG 128 68.997 53.994 54.452 1007 1HH2 ARG 128 2HH1 ARG 128 67.595 54.901 51.363 1008 2HH2 ARG 128 1HH1 ARG 128 68.957 55.109 52.483 1009 H GLN 129 H GLN 129 61.516 54.321 56.108 1010 HA GLN 129 HA GLN 129 59.752 52.261 54.833 1011 1HB GLN 129 2HB GLN 129 58.646 53.739 56.356 1012 2HB GLN 129 1HB GLN 129 59.270 55.215 55.506 1013 1HG GLN 129 2HG GLN 129 56.896 54.720 54.996 1014 2HG GLN 129 1HG GLN 129 57.972 54.769 53.476 1015 1HE2 GLN 129 2HE2 GLN 129 57.838 52.062 55.906 1016 2HE2 GLN 129 1HE2 GLN 129 57.024 50.969 54.764 1017 H VAL 130 H VAL 130 58.938 52.405 52.527 1018 HA VAL 130 HA VAL 130 60.792 54.089 50.906 1019 HB VAL 130 HB VAL 130 59.363 51.413 50.168 1020 1HG1 VAL 130 1HG1 VAL 130 59.595 52.941 48.228 1021 2HG1 VAL 130 2HG1 VAL 130 60.838 51.626 48.085 1022 3HG1 VAL 130 3HG1 VAL 130 61.295 53.309 48.629 1023 1HG2 VAL 130 1HG2 VAL 130 62.330 51.548 49.979 1024 2HG2 VAL 130 2HG2 VAL 130 61.250 50.256 50.654 1025 3HG2 VAL 130 3HG2 VAL 130 61.660 51.634 51.696 1026 H PHE 131 H PHE 131 59.954 55.331 49.658 1027 HA PHE 131 HA PHE 131 56.978 55.424 49.051 1028 1HB PHE 131 2HB PHE 131 59.040 57.380 50.244 1029 2HB PHE 131 1HB PHE 131 57.887 58.008 48.981 1030 HD1 PHE 131 HD1 PHE 131 57.486 55.509 51.776 1031 HD2 PHE 131 HD2 PHE 131 56.252 59.294 50.094 1032 HE1 PHE 131 HE1 PHE 131 55.716 55.716 53.537 1033 HE2 PHE 131 HE2 PHE 131 54.556 59.456 51.810 1034 HZ PHE 131 HZ PHE 131 54.267 57.656 53.554 1035 H LYS 132 H LYS 132 56.401 56.625 47.316 1036 HA LYS 132 HA LYS 132 58.388 57.274 45.194 1037 1HB LYS 132 2HB LYS 132 55.869 55.688 44.540 1038 2HB LYS 132 1HB LYS 132 57.492 55.628 43.746 1039 1HG LYS 132 2HG LYS 132 58.325 54.461 45.973 1040 2HG LYS 132 1HG LYS 132 56.559 54.201 46.349 1041 1HD LYS 132 2HD LYS 132 58.116 53.191 43.981 1042 2HD LYS 132 1HD LYS 132 57.041 52.235 45.112 1043 1HE LYS 132 2HE LYS 132 55.120 53.872 44.132 1044 2HE LYS 132 1HE LYS 132 56.333 54.026 42.769 1045 1HZ LYS 132 1HZ LYS 132 54.808 52.192 42.398 1046 2HZ LYS 132 2HZ LYS 132 55.010 51.597 43.921 1047 3HZ LYS 132 3HZ LYS 132 56.237 51.460 42.787 1048 H LYS 133 H LYS 133 56.671 57.796 43.312 1049 HA LYS 133 HA LYS 133 55.005 59.189 42.449 1050 1HB LYS 133 2HB LYS 133 53.801 57.968 44.818 1051 2HB LYS 133 1HB LYS 133 53.212 59.689 44.574 1052 1HG LYS 133 2HG LYS 133 53.558 57.918 42.185 1053 2HG LYS 133 1HG LYS 133 52.138 57.479 43.280 1054 1HD LYS 133 2HD LYS 133 52.695 60.046 41.694 1055 2HD LYS 133 1HD LYS 133 51.399 58.800 41.445 1056 1HE LYS 133 2HE LYS 133 50.507 59.230 43.673 1057 2HE LYS 133 1HE LYS 133 51.672 60.684 43.876 1058 1HZ LYS 133 1HZ LYS 133 49.374 61.178 43.152 1059 2HZ LYS 133 2HZ LYS 133 49.628 60.429 41.684 1060 3HZ LYS 133 3HZ LYS 133 50.558 61.769 42.186 1061 H LYS 134 H LYS 134 53.434 61.079 43.351 1062 HA LYS 134 HA LYS 134 55.086 63.137 44.646 1063 1HB LYS 134 2HB LYS 134 55.665 64.336 42.568 1064 2HB LYS 134 1HB LYS 134 56.181 62.626 42.309 1065 1HG LYS 134 2HG LYS 134 53.567 64.044 41.358 1066 2HG LYS 134 1HG LYS 134 54.973 63.660 40.266 1067 1HD LYS 134 2HD LYS 134 54.374 61.166 41.364 1068 2HD LYS 134 1HD LYS 134 52.740 61.930 41.270 1069 1HE LYS 134 2HE LYS 134 53.665 62.840 38.941 1070 2HE LYS 134 1HE LYS 134 54.782 61.403 39.070 1071 1HZ LYS 134 1HZ LYS 134 52.912 59.972 39.329 1072 2HZ LYS 134 2HZ LYS 134 52.574 60.882 37.970 1073 3HZ LYS 134 3HZ LYS 134 51.834 61.270 39.397 1074 1H2 RTL 135 1H2 RET 135 47.922 50.689 56.909 1075 2H2 RTL 135 2H2 RET 135 46.488 51.308 57.516 1076 1H3 RTL 135 1H3 RET 135 46.365 49.785 59.185 1077 2H3 RTL 135 2H3 RET 135 47.686 49.018 58.462 1078 1H4 RTL 135 1H4 RET 135 48.469 49.371 60.702 1079 2H4 RTL 135 2H4 RET 135 47.620 50.824 60.877 1080 H7 RTL 135 H7 RET 135 51.370 52.377 58.163 1081 H8 RTL 135 H8 RET 135 49.637 54.691 59.325 1082 H10 RTL 135 H10 RET 135 50.356 56.300 57.208 1083 H11 RTL 135 H11 RET 135 53.219 56.682 56.893 1084 H12 RTL 135 H12 RET 135 51.424 58.959 58.039 1085 H14 RTL 135 H14 RET 135 52.083 60.524 55.970 1086 1H15 RTL 135 1H15 RET 135 54.153 61.529 54.904 1087 2H15 RTL 135 2H15 RET 135 54.916 61.486 56.564 1088 HO1 RTL 135 H51 RET 135 52.490 62.697 56.291 1089 1H16 RTL 135 1H16 RET 135 47.501 53.165 56.439 1090 2H16 RTL 135 2H16 RET 135 49.281 53.063 56.565 1091 3H16 RTL 135 3H16 RET 135 48.406 54.345 57.383 1092 1H17 RTL 135 1H17 RET 135 46.469 52.812 59.590 1093 2H17 RTL 135 2H17 RET 135 46.780 53.980 58.298 1094 3H17 RTL 135 3H17 RET 135 47.845 53.938 59.713 1095 1H18 RTL 135 1H18 RET 135 51.547 50.878 60.306 1096 2H18 RTL 135 2H18 RET 135 50.599 49.466 60.720 1097 3H18 RTL 135 3H18 RET 135 50.486 50.976 61.710 1098 1H19 RTL 135 1H19 RET 135 53.529 54.406 58.559 1099 2H19 RTL 135 2H19 RET 135 52.670 54.196 60.049 1100 3H19 RTL 135 3H19 RET 135 53.317 55.833 59.571 1101 1H20 RTL 135 1H20 RET 135 54.622 59.645 58.983 1102 2H20 RTL 135 2H20 RET 135 55.429 59.669 57.415 1103 3H20 RTL 135 3H20 RET 135 54.837 58.133 58.079 Start of MODEL 3 1 1H MET 1 1H MET 1 61.338 73.003 43.527 2 2H MET 1 2H MET 1 62.035 72.659 45.013 3 3H MET 1 3H MET 1 62.981 72.985 43.662 4 HA MET 1 HA MET 1 63.130 75.076 44.664 5 1HB MET 1 2HB MET 1 60.891 74.905 42.673 6 2HB MET 1 1HB MET 1 60.655 76.191 43.882 7 1HG MET 1 2HG MET 1 62.139 77.375 42.400 8 2HG MET 1 1HG MET 1 63.233 76.770 43.576 9 1HE MET 1 1HE MET 1 62.046 75.449 39.409 10 2HE MET 1 2HE MET 1 60.978 75.565 40.835 11 3HE MET 1 3HE MET 1 61.621 74.044 40.525 12 H THR 2 H THR 2 63.052 75.447 46.653 13 HA THR 2 HA THR 2 62.236 75.822 48.851 14 HB THR 2 HB THR 2 59.693 76.594 47.356 15 HG1 THR 2 1HG THR 2 60.737 78.238 46.762 16 1HG2 THR 2 1HG2 THR 2 60.291 76.300 50.192 17 2HG2 THR 2 2HG2 THR 2 58.997 77.380 49.608 18 3HG2 THR 2 3HG2 THR 2 60.694 77.987 49.952 19 H LYS 3 H LYS 3 62.309 73.478 48.922 20 HA LYS 3 HA LYS 3 61.397 71.367 49.428 21 1HB LYS 3 2HB LYS 3 59.071 72.216 50.929 22 2HB LYS 3 1HB LYS 3 60.636 71.448 51.485 23 1HG LYS 3 2HG LYS 3 60.911 73.405 52.594 24 2HG LYS 3 1HG LYS 3 61.341 74.132 51.026 25 1HD LYS 3 2HD LYS 3 58.919 74.890 50.778 26 2HD LYS 3 1HD LYS 3 58.467 73.772 52.088 27 1HE LYS 3 2HE LYS 3 60.510 75.967 52.617 28 2HE LYS 3 1HE LYS 3 58.685 76.338 52.679 29 1HZ LYS 3 1HZ LYS 3 58.677 74.169 54.097 30 2HZ LYS 3 2HZ LYS 3 59.068 75.551 54.864 31 3HZ LYS 3 3HZ LYS 3 60.256 74.430 54.332 32 H ASP 4 H ASP 4 58.174 73.137 49.411 33 HA ASP 4 HA ASP 4 56.247 72.537 48.391 34 1HB ASP 4 2HB ASP 4 58.367 72.199 46.193 35 2HB ASP 4 1HB ASP 4 56.684 71.442 45.940 36 H GLN 5 H GLN 5 56.309 70.957 50.204 37 HA GLN 5 HA GLN 5 56.844 68.138 49.450 38 1HB GLN 5 2HB GLN 5 55.690 69.739 51.840 39 2HB GLN 5 1HB GLN 5 55.452 67.934 51.796 40 1HG GLN 5 2HG GLN 5 58.186 68.874 51.049 41 2HG GLN 5 1HG GLN 5 57.589 69.235 52.781 42 1HE2 GLN 5 2HE2 GLN 5 56.789 66.581 50.633 43 2HE2 GLN 5 1HE2 GLN 5 57.425 65.263 51.607 44 H ASN 6 H ASN 6 54.102 70.285 49.553 45 HA ASN 6 HA ASN 6 51.890 68.646 49.370 46 1HB ASN 6 2HB ASN 6 51.431 70.153 47.010 47 2HB ASN 6 1HB ASN 6 51.077 70.712 48.754 48 1HD2 ASN 6 1HD2 ASN 6 52.643 71.702 49.892 49 2HD2 ASN 6 2HD2 ASN 6 53.754 72.945 49.009 50 H GLY 7 H GLY 7 52.167 66.604 48.674 51 1HA GLY 7 1HA GLY 7 52.054 66.255 45.708 52 2HA GLY 7 2HA GLY 7 53.478 65.575 46.569 53 H THR 8 H THR 8 52.414 63.898 45.370 54 HA THR 8 HA THR 8 50.588 62.306 47.039 55 HB THR 8 HB THR 8 50.902 62.179 43.933 56 HG1 THR 8 1HG THR 8 48.679 63.273 44.414 57 1HG2 THR 8 1HG2 THR 8 49.762 60.227 45.446 58 2HG2 THR 8 2HG2 THR 8 48.602 60.921 44.237 59 3HG2 THR 8 3HG2 THR 8 48.563 61.471 45.955 60 H TRP 9 H TRP 9 51.030 60.050 46.976 61 HA TRP 9 HA TRP 9 53.439 58.970 45.770 62 1HB TRP 9 2HB TRP 9 54.423 58.807 48.378 63 2HB TRP 9 1HB TRP 9 55.020 59.851 46.995 64 HD1 TRP 9 HD1 TRP 9 51.862 60.353 49.158 65 HE1 TRP 9 HE1 TRP 9 51.848 62.738 50.154 66 HE3 TRP 9 HE3 TRP 9 56.246 61.572 47.465 67 HZ2 TRP 9 HZ2 TRP 9 53.606 64.765 50.101 68 HZ3 TRP 9 HZ3 TRP 9 57.204 63.824 47.956 69 HH2 TRP 9 HH2 TRP 9 55.981 65.388 49.212 70 H GLU 10 H GLU 10 52.071 57.189 45.367 71 HA GLU 10 HA GLU 10 50.673 55.717 47.367 72 1HB GLU 10 2HB GLU 10 52.012 55.061 44.654 73 2HB GLU 10 1HB GLU 10 51.633 53.725 45.806 74 1HG GLU 10 2HG GLU 10 49.565 53.978 44.576 75 2HG GLU 10 1HG GLU 10 49.309 55.094 46.009 76 H MET 11 H MET 11 51.366 54.319 48.918 77 HA MET 11 HA MET 11 54.272 54.151 49.601 78 1HB MET 11 2HB MET 11 51.505 53.271 50.596 79 2HB MET 11 1HB MET 11 52.886 52.112 50.978 80 1HG MET 11 2HG MET 11 54.030 54.538 51.707 81 2HG MET 11 1HG MET 11 52.347 54.926 51.814 82 1HE MET 11 1HE MET 11 52.560 54.613 55.403 83 2HE MET 11 2HE MET 11 53.298 55.548 53.967 84 3HE MET 11 3HE MET 11 54.290 54.631 55.018 85 H GLU 12 H GLU 12 55.617 52.653 49.461 86 HA GLU 12 HA GLU 12 54.989 50.405 47.546 87 1HB GLU 12 2HB GLU 12 57.228 52.320 47.632 88 2HB GLU 12 1HB GLU 12 57.850 50.695 48.141 89 1HG GLU 12 2HG GLU 12 56.159 49.973 46.046 90 2HG GLU 12 1HG GLU 12 56.667 51.710 45.582 91 H SER 13 H SER 13 57.362 51.061 50.119 92 HA SER 13 HA SER 13 56.254 48.732 51.592 93 1HB SER 13 2HB SER 13 59.226 48.764 50.642 94 2HB SER 13 1HB SER 13 58.258 47.360 51.418 95 HG SER 13 HG SER 13 58.023 46.856 49.490 96 H ASN 14 H ASN 14 57.935 48.132 53.188 97 HA ASN 14 HA ASN 14 59.201 50.373 54.652 98 1HB ASN 14 2HB ASN 14 57.801 48.304 56.368 99 2HB ASN 14 1HB ASN 14 57.828 50.170 56.516 100 1HD2 ASN 14 2HD2 ASN 14 56.717 47.366 54.828 101 2HD2 ASN 14 1HD2 ASN 14 55.035 48.118 54.298 102 H GLU 15 H GLU 15 60.675 49.723 56.255 103 HA GLU 15 HA GLU 15 61.574 46.896 55.729 104 1HB GLU 15 2HB GLU 15 63.606 47.827 54.951 105 2HB GLU 15 1HB GLU 15 62.825 49.440 55.116 106 1HG GLU 15 2HG GLU 15 64.687 49.724 56.373 107 2HG GLU 15 1HG GLU 15 63.577 49.161 57.745 108 H ASN 16 H ASN 16 62.737 45.925 57.697 109 HA ASN 16 HA ASN 16 62.634 45.487 60.018 110 1HB ASN 16 2HB ASN 16 63.606 48.189 59.725 111 2HB ASN 16 1HB ASN 16 62.447 48.089 61.221 112 1HD2 ASN 16 1HD2 ASN 16 65.403 47.117 59.794 113 2HD2 ASN 16 2HD2 ASN 16 66.044 46.291 61.374 114 H PHE 17 H PHE 17 60.570 45.315 58.621 115 HA PHE 17 HA PHE 17 58.178 46.695 59.278 116 1HB PHE 17 2HB PHE 17 57.873 43.694 59.366 117 2HB PHE 17 1HB PHE 17 57.013 44.920 58.324 118 HD1 PHE 17 HD1 PHE 17 59.883 42.727 58.617 119 HD2 PHE 17 HD2 PHE 17 58.024 45.640 56.115 120 HE1 PHE 17 HE1 PHE 17 61.353 42.083 56.742 121 HE2 PHE 17 HE2 PHE 17 59.482 44.969 54.249 122 HZ PHE 17 HZ PHE 17 61.160 43.216 54.492 123 H GLU 18 H GLU 18 59.993 44.460 61.041 124 HA GLU 18 HA GLU 18 58.123 43.811 63.176 125 1HB GLU 18 2HB GLU 18 61.244 43.817 62.618 126 2HB GLU 18 1HB GLU 18 60.625 43.512 64.293 127 1HG GLU 18 2HG GLU 18 58.997 41.838 63.004 128 2HG GLU 18 1HG GLU 18 60.575 41.686 61.946 129 H GLY 19 H GLY 19 60.682 46.222 62.831 130 1HA GLY 19 1HA GLY 19 60.363 47.042 65.671 131 2HA GLY 19 2HA GLY 19 61.386 47.915 64.422 132 H TYR 20 H TYR 20 58.916 47.641 62.590 133 HA TYR 20 HA TYR 20 57.871 50.327 63.434 134 1HB TYR 20 2HB TYR 20 58.305 49.400 60.967 135 2HB TYR 20 1HB TYR 20 56.882 48.342 61.278 136 HD1 TYR 20 HD1 TYR 20 56.519 51.636 62.767 137 HD2 TYR 20 HD2 TYR 20 56.203 49.304 59.178 138 HE1 TYR 20 HE1 TYR 20 55.006 53.359 61.789 139 HE2 TYR 20 HE2 TYR 20 54.720 50.957 58.205 140 HH TYR 20 HH TYR 20 53.461 52.803 58.616 141 H MET 21 H MET 21 56.953 46.938 63.583 142 HA MET 21 HA MET 21 54.223 47.560 64.408 143 1HB MET 21 2HB MET 21 55.071 45.340 63.317 144 2HB MET 21 1HB MET 21 56.248 45.235 64.622 145 1HG MET 21 2HG MET 21 53.616 45.440 65.864 146 2HG MET 21 1HG MET 21 53.329 44.352 64.534 147 1HE MET 21 1HE MET 21 56.205 43.287 64.100 148 2HE MET 21 2HE MET 21 55.080 41.816 64.339 149 3HE MET 21 3HE MET 21 56.565 41.872 65.152 150 H LYS 22 H LYS 22 57.278 47.259 65.912 151 HA LYS 22 HA LYS 22 56.297 47.006 68.636 152 1HB LYS 22 2HB LYS 22 59.054 47.598 67.307 153 2HB LYS 22 1HB LYS 22 58.813 47.584 69.128 154 1HG LYS 22 2HG LYS 22 58.221 45.397 69.266 155 2HG LYS 22 1HG LYS 22 57.810 45.229 67.492 156 1HD LYS 22 2HD LYS 22 60.114 44.179 68.154 157 2HD LYS 22 1HD LYS 22 60.166 45.511 66.902 158 1HE LYS 22 2HE LYS 22 60.849 47.181 68.578 159 2HE LYS 22 1HE LYS 22 60.708 45.958 69.906 160 1HZ LYS 22 1HZ LYS 22 62.443 44.703 68.977 161 2HZ LYS 22 2HZ LYS 22 62.964 46.291 69.009 162 3HZ LYS 22 3HZ LYS 22 62.519 45.597 67.568 163 H ALA 23 H ALA 23 56.959 49.488 66.514 164 HA ALA 23 HA ALA 23 57.167 51.550 68.671 165 1HB ALA 23 1HB ALA 23 58.197 51.780 66.295 166 2HB ALA 23 2HB ALA 23 57.415 53.201 67.091 167 3HB ALA 23 3HB ALA 23 56.481 52.268 65.805 168 H LEU 24 H LEU 24 54.788 50.071 66.855 169 HA LEU 24 HA LEU 24 52.645 52.039 67.492 170 1HB LEU 24 2HB LEU 24 53.099 50.292 65.306 171 2HB LEU 24 1HB LEU 24 52.057 49.265 66.313 172 HG LEU 24 HG LEU 24 50.501 50.454 64.910 173 1HD1 LEU 24 1HD1 LEU 24 49.106 51.651 66.269 174 2HD1 LEU 24 2HD1 LEU 24 50.399 52.538 67.108 175 3HD1 LEU 24 3HD1 LEU 24 50.154 50.749 67.476 176 1HD2 LEU 24 1HD2 LEU 24 52.463 52.157 64.203 177 2HD2 LEU 24 2HD2 LEU 24 51.672 53.191 65.487 178 3HD2 LEU 24 3HD2 LEU 24 50.739 52.596 64.044 179 H ASP 25 H ASP 25 53.242 48.558 67.710 180 HA ASP 25 HA ASP 25 52.858 46.902 69.357 181 1HB ASP 25 2HB ASP 25 53.323 49.300 70.771 182 2HB ASP 25 1HB ASP 25 51.610 48.804 71.303 183 H ILE 26 H ILE 26 51.346 47.613 67.361 184 HA ILE 26 HA ILE 26 48.552 47.794 68.294 185 HB ILE 26 HB ILE 26 49.160 49.132 66.421 186 1HG1 ILE 26 2HG1 ILE 26 47.464 47.199 64.881 187 2HG1 ILE 26 1HG1 ILE 26 46.940 47.684 66.584 188 1HG2 ILE 26 1HG2 ILE 26 50.981 47.714 65.384 189 2HG2 ILE 26 2HG2 ILE 26 49.739 48.233 64.168 190 3HG2 ILE 26 3HG2 ILE 26 49.685 46.549 64.819 191 1HD1 ILE 26 1HD1 ILE 26 46.137 49.306 64.783 192 2HD1 ILE 26 2HD1 ILE 26 47.846 49.791 64.474 193 3HD1 ILE 26 3HD1 ILE 26 47.151 50.057 66.083 194 H ASP 27 H ASP 27 50.445 45.480 66.277 195 HA ASP 27 HA ASP 27 49.664 43.183 67.542 196 1HB ASP 27 2HB ASP 27 47.388 44.254 66.017 197 2HB ASP 27 1HB ASP 27 48.035 42.727 65.173 198 H PHE 28 H PHE 28 50.065 41.194 66.386 199 HA PHE 28 HA PHE 28 52.320 41.585 64.657 200 1HB PHE 28 2HB PHE 28 52.702 39.266 65.046 201 2HB PHE 28 1HB PHE 28 51.749 39.703 66.515 202 HD1 PHE 28 HD1 PHE 28 51.843 37.847 63.419 203 HD2 PHE 28 HD2 PHE 28 49.285 39.110 66.646 204 HE1 PHE 28 HE1 PHE 28 50.128 36.079 62.699 205 HE2 PHE 28 HE2 PHE 28 47.636 37.426 65.982 206 HZ PHE 28 HZ PHE 28 48.039 35.903 64.015 207 H ALA 29 H ALA 29 49.021 41.114 64.306 208 HA ALA 29 HA ALA 29 48.942 39.865 61.604 209 1HB ALA 29 1HB ALA 29 47.049 39.823 63.398 210 2HB ALA 29 2HB ALA 29 46.614 40.299 61.709 211 3HB ALA 29 3HB ALA 29 46.800 41.601 63.021 212 H THR 30 H THR 30 48.515 42.965 63.051 213 HA THR 30 HA THR 30 47.828 44.572 60.814 214 HB THR 30 HB THR 30 49.328 45.286 63.377 215 HG1 THR 30 1HG THR 30 46.655 45.821 62.849 216 1HG2 THR 30 1HG2 THR 30 49.478 47.197 61.660 217 2HG2 THR 30 2HG2 THR 30 48.162 47.628 62.819 218 3HG2 THR 30 3HG2 THR 30 47.738 46.886 61.210 219 H ARG 31 H ARG 31 51.013 43.571 61.920 220 HA ARG 31 HA ARG 31 52.488 45.452 60.198 221 1HB ARG 31 2HB ARG 31 54.015 44.990 61.726 222 2HB ARG 31 1HB ARG 31 52.995 43.670 62.425 223 1HG ARG 31 2HG ARG 31 54.697 43.054 59.888 224 2HG ARG 31 1HG ARG 31 55.489 43.220 61.485 225 1HD ARG 31 2HD ARG 31 53.529 41.630 62.326 226 2HD ARG 31 1HD ARG 31 53.478 41.085 60.585 227 HE ARG 31 HE ARG 31 56.125 41.178 61.134 228 1HH1 ARG 31 2HH1 ARG 31 53.348 39.630 62.754 229 2HH1 ARG 31 1HH1 ARG 31 54.292 38.263 63.393 230 1HH2 ARG 31 2HH2 ARG 31 57.305 39.347 61.995 231 2HH2 ARG 31 1HH2 ARG 31 56.557 38.098 62.960 232 H LYS 32 H LYS 32 51.202 42.098 59.909 233 HA LYS 32 HA LYS 32 52.982 41.539 57.679 234 1HB LYS 32 2HB LYS 32 52.225 39.524 58.283 235 2HB LYS 32 1HB LYS 32 50.879 40.287 59.249 236 1HG LYS 32 2HG LYS 32 49.597 39.012 57.789 237 2HG LYS 32 1HG LYS 32 49.711 40.444 56.744 238 1HD LYS 32 2HD LYS 32 51.683 39.548 55.557 239 2HD LYS 32 1HD LYS 32 51.727 38.156 56.712 240 1HE LYS 32 2HE LYS 32 50.439 37.711 54.437 241 2HE LYS 32 1HE LYS 32 49.451 37.392 55.951 242 1HZ LYS 32 1HZ LYS 32 49.454 40.079 54.677 243 2HZ LYS 32 2HZ LYS 32 48.298 39.310 55.626 244 3HZ LYS 32 3HZ LYS 32 48.583 38.772 54.095 245 H ILE 33 H ILE 33 49.887 43.085 58.106 246 HA ILE 33 HA ILE 33 49.270 42.964 55.232 247 HB ILE 33 HB ILE 33 48.112 45.206 56.961 248 1HG1 ILE 33 2HG1 ILE 33 47.435 43.510 58.532 249 2HG1 ILE 33 1HG1 ILE 33 46.162 43.395 57.247 250 1HG2 ILE 33 1HG2 ILE 33 47.711 44.805 54.420 251 2HG2 ILE 33 2HG2 ILE 33 46.280 45.053 55.486 252 3HG2 ILE 33 3HG2 ILE 33 46.641 43.410 54.923 253 1HD1 ILE 33 1HD1 ILE 33 48.001 41.672 56.146 254 2HD1 ILE 33 2HD1 ILE 33 46.743 41.136 57.375 255 3HD1 ILE 33 3HD1 ILE 33 48.445 41.535 57.877 256 H ALA 34 H ALA 34 50.657 45.104 57.614 257 HA ALA 34 HA ALA 34 51.005 47.567 56.026 258 1HB ALA 34 1HB ALA 34 51.635 48.335 58.103 259 2HB ALA 34 2HB ALA 34 53.067 47.252 57.970 260 3HB ALA 34 3HB ALA 34 51.569 46.664 58.769 261 H VAL 35 H VAL 35 52.590 44.511 56.343 262 HA VAL 35 HA VAL 35 55.243 45.355 55.576 263 HB VAL 35 HB VAL 35 54.155 42.984 56.572 264 1HG1 VAL 35 1HG1 VAL 35 53.585 42.367 54.124 265 2HG1 VAL 35 2HG1 VAL 35 54.758 41.165 54.864 266 3HG1 VAL 35 3HG1 VAL 35 55.362 42.430 53.765 267 1HG2 VAL 35 1HG2 VAL 35 56.466 42.346 56.804 268 2HG2 VAL 35 2HG2 VAL 35 56.445 44.182 56.599 269 3HG2 VAL 35 3HG2 VAL 35 56.852 43.138 55.192 270 H ARG 36 H ARG 36 52.508 44.286 53.796 271 HA ARG 36 HA ARG 36 54.125 44.665 51.184 272 1HB ARG 36 2HB ARG 36 52.250 43.292 50.161 273 2HB ARG 36 1HB ARG 36 53.480 42.401 51.142 274 1HG ARG 36 2HG ARG 36 51.384 41.412 51.761 275 2HG ARG 36 1HG ARG 36 51.890 42.520 53.145 276 1HD ARG 36 2HD ARG 36 50.067 43.807 52.861 277 2HD ARG 36 1HD ARG 36 50.401 43.989 51.124 278 HE ARG 36 HE ARG 36 49.208 41.377 52.117 279 1HH1 ARG 36 2HH2 ARG 36 48.438 44.414 50.113 280 2HH1 ARG 36 1HH2 ARG 36 47.017 43.561 49.543 281 1HH2 ARG 36 2HH1 ARG 36 47.495 40.596 51.310 282 2HH2 ARG 36 1HH1 ARG 36 46.441 41.479 50.189 283 H LEU 37 H LEU 37 51.846 46.028 53.156 284 HA LEU 37 HA LEU 37 49.789 46.794 51.446 285 1HB LEU 37 2HB LEU 37 50.878 47.568 54.073 286 2HB LEU 37 1HB LEU 37 50.606 49.091 53.086 287 HG LEU 37 HG LEU 37 48.529 46.927 53.138 288 1HD1 LEU 37 1HD1 LEU 37 47.488 48.167 55.150 289 2HD1 LEU 37 2HD1 LEU 37 48.989 49.173 55.197 290 3HD1 LEU 37 3HD1 LEU 37 49.065 47.345 55.482 291 1HD2 LEU 37 1HD2 LEU 37 48.015 49.960 53.135 292 2HD2 LEU 37 2HD2 LEU 37 47.146 48.612 52.281 293 3HD2 LEU 37 3HD2 LEU 37 48.781 49.220 51.691 294 H THR 38 H THR 38 49.412 48.309 50.070 295 HA THR 38 HA THR 38 51.575 50.147 49.211 296 HB THR 38 HB THR 38 50.463 49.529 46.803 297 HG1 THR 38 1HG THR 38 50.086 47.119 47.056 298 1HG2 THR 38 1HG2 THR 38 52.064 47.245 48.125 299 2HG2 THR 38 2HG2 THR 38 52.956 48.816 47.908 300 3HG2 THR 38 3HG2 THR 38 52.277 47.875 46.471 301 H GLN 39 H GLN 39 49.718 50.884 50.981 302 HA GLN 39 HA GLN 39 47.361 51.975 49.790 303 1HB GLN 39 2HB GLN 39 47.324 53.384 51.936 304 2HB GLN 39 1HB GLN 39 47.855 51.646 52.250 305 1HG GLN 39 2HG GLN 39 50.260 52.560 51.831 306 2HG GLN 39 1HG GLN 39 49.508 54.228 52.073 307 1HE2 GLN 39 2HE2 GLN 39 48.349 54.677 53.842 308 2HE2 GLN 39 1HE2 GLN 39 48.630 53.932 55.435 309 H THR 40 H THR 40 46.996 54.293 50.121 310 HA THR 40 HA THR 40 48.952 55.847 48.427 311 HB THR 40 HB THR 40 45.978 56.519 48.713 312 HG1 THR 40 1HG THR 40 45.654 55.394 46.795 313 1HG2 THR 40 1HG2 THR 40 48.250 56.949 46.558 314 2HG2 THR 40 2HG2 THR 40 47.315 58.232 47.433 315 3HG2 THR 40 3HG2 THR 40 46.517 57.180 46.173 316 H LYS 41 H LYS 41 49.226 57.919 48.645 317 HA LYS 41 HA LYS 41 48.246 59.169 51.276 318 1HB LYS 41 2HB LYS 41 50.722 57.700 51.149 319 2HB LYS 41 1HB LYS 41 51.140 59.470 50.834 320 1HG LYS 41 2HG LYS 41 49.192 59.060 53.057 321 2HG LYS 41 1HG LYS 41 50.719 58.141 53.315 322 1HD LYS 41 2HD LYS 41 50.366 61.180 52.677 323 2HD LYS 41 1HD LYS 41 50.774 60.493 54.304 324 1HE LYS 41 2HE LYS 41 52.651 59.942 51.984 325 2HE LYS 41 1HE LYS 41 52.679 61.497 52.958 326 1HZ LYS 41 1HZ LYS 41 53.303 60.179 54.836 327 2HZ LYS 41 2HZ LYS 41 53.950 59.255 53.559 328 3HZ LYS 41 3HZ LYS 41 52.544 58.830 54.290 329 H ILE 42 H ILE 42 48.800 61.365 51.515 330 HA ILE 42 HA ILE 42 50.116 62.889 49.402 331 HB ILE 42 HB ILE 42 48.453 62.268 47.825 332 1HG1 ILE 42 2HG1 ILE 42 47.021 64.692 48.761 333 2HG1 ILE 42 1HG1 ILE 42 48.786 64.967 48.658 334 1HG2 ILE 42 1HG2 ILE 42 46.114 62.180 48.223 335 2HG2 ILE 42 2HG2 ILE 42 46.182 63.145 49.718 336 3HG2 ILE 42 3HG2 ILE 42 46.799 61.425 49.686 337 1HD1 ILE 42 1HD1 ILE 42 46.898 65.044 46.476 338 2HD1 ILE 42 2HD1 ILE 42 47.725 63.449 46.254 339 3HD1 ILE 42 3HD1 ILE 42 48.711 64.948 46.295 340 H ILE 43 H ILE 43 50.845 64.407 50.428 341 HA ILE 43 HA ILE 43 49.535 65.759 52.760 342 HB ILE 43 HB ILE 43 52.085 66.211 51.267 343 1HG1 ILE 43 2HG1 ILE 43 51.689 64.159 53.566 344 2HG1 ILE 43 1HG1 ILE 43 51.947 63.670 51.830 345 1HG2 ILE 43 1HG2 ILE 43 50.954 66.858 53.984 346 2HG2 ILE 43 2HG2 ILE 43 52.182 67.785 52.969 347 3HG2 ILE 43 3HG2 ILE 43 52.700 66.391 54.003 348 1HD1 ILE 43 1HD1 ILE 43 53.832 64.587 53.926 349 2HD1 ILE 43 2HD1 ILE 43 54.142 65.410 52.346 350 3HD1 ILE 43 3HD1 ILE 43 54.173 63.651 52.406 351 H VAL 44 H VAL 44 50.001 68.166 52.744 352 HA VAL 44 HA VAL 44 50.215 69.387 49.984 353 HB VAL 44 HB VAL 44 47.890 68.554 50.082 354 1HG1 VAL 44 1HG1 VAL 44 46.434 68.781 51.808 355 2HG1 VAL 44 2HG1 VAL 44 46.919 70.505 52.122 356 3HG1 VAL 44 3HG1 VAL 44 47.973 69.141 52.668 357 1HG2 VAL 44 1HG2 VAL 44 47.059 71.424 50.266 358 2HG2 VAL 44 2HG2 VAL 44 47.297 70.364 48.811 359 3HG2 VAL 44 3HG2 VAL 44 48.663 71.347 49.406 360 H GLN 45 H GLN 45 51.974 70.089 51.378 361 HA GLN 45 HA GLN 45 51.905 71.777 53.566 362 1HB GLN 45 2HB GLN 45 53.741 70.797 51.974 363 2HB GLN 45 1HB GLN 45 53.753 72.541 51.349 364 1HG GLN 45 2HG GLN 45 53.507 72.962 54.081 365 2HG GLN 45 1HG GLN 45 54.526 71.409 54.020 366 1HE2 GLN 45 1HE2 GLN 45 55.169 73.826 55.061 367 2HE2 GLN 45 2HE2 GLN 45 56.527 74.621 54.017 368 H ASP 46 H ASP 46 50.797 73.310 54.046 369 HA ASP 46 HA ASP 46 50.425 75.498 52.008 370 1HB ASP 46 2HB ASP 46 48.549 74.027 53.307 371 2HB ASP 46 1HB ASP 46 48.691 75.502 54.441 372 H GLY 47 H GLY 47 52.349 74.720 54.344 373 1HA GLY 47 1HA GLY 47 53.998 75.967 55.452 374 2HA GLY 47 2HA GLY 47 53.138 77.533 55.048 375 H ASP 48 H ASP 48 53.965 75.339 57.355 376 HA ASP 48 HA ASP 48 53.679 75.379 59.703 377 1HB ASP 48 2HB ASP 48 53.696 77.910 59.146 378 2HB ASP 48 1HB ASP 48 51.829 77.865 59.371 379 H ASN 49 H ASN 49 51.425 74.640 57.689 380 HA ASN 49 HA ASN 49 49.701 73.210 59.504 381 1HB ASN 49 2HB ASN 49 47.555 74.583 58.484 382 2HB ASN 49 1HB ASN 49 48.434 75.117 60.034 383 1HD2 ASN 49 1HD2 ASN 49 47.885 75.395 56.623 384 2HD2 ASN 49 2HD2 ASN 49 48.466 77.168 56.442 385 H PHE 50 H PHE 50 49.966 71.479 58.328 386 HA PHE 50 HA PHE 50 48.716 71.537 55.612 387 1HB PHE 50 2HB PHE 50 50.418 69.940 54.804 388 2HB PHE 50 1HB PHE 50 51.107 71.559 55.360 389 HD1 PHE 50 HD1 PHE 50 50.158 69.435 58.248 390 HD2 PHE 50 HD2 PHE 50 53.178 70.300 55.255 391 HE1 PHE 50 HE1 PHE 50 51.920 68.416 59.651 392 HE2 PHE 50 HE2 PHE 50 54.913 69.268 56.693 393 HZ PHE 50 HZ PHE 50 54.251 68.335 58.890 394 H LYS 51 H LYS 51 48.732 68.953 54.781 395 HA LYS 51 HA LYS 51 47.870 67.241 56.909 396 1HB LYS 51 2HB LYS 51 45.416 67.130 56.310 397 2HB LYS 51 1HB LYS 51 45.860 68.747 57.048 398 1HG LYS 51 2HG LYS 51 44.582 69.498 55.162 399 2HG LYS 51 1HG LYS 51 46.190 69.291 54.355 400 1HD LYS 51 2HD LYS 51 45.109 67.866 53.004 401 2HD LYS 51 1HD LYS 51 45.112 66.689 54.402 402 1HE LYS 51 2HE LYS 51 42.984 68.888 54.226 403 2HE LYS 51 1HE LYS 51 42.875 67.444 53.063 404 1HZ LYS 51 1HZ LYS 51 42.594 67.604 55.962 405 2HZ LYS 51 2HZ LYS 51 43.132 66.146 55.322 406 3HZ LYS 51 3HZ LYS 51 41.639 66.807 54.885 407 H THR 52 H THR 52 47.670 65.294 56.573 408 HA THR 52 HA THR 52 47.678 64.328 53.678 409 HB THR 52 HB THR 52 49.919 64.215 54.274 410 HG1 THR 52 1HG THR 52 49.110 62.292 53.779 411 1HG2 THR 52 1HG2 THR 52 49.989 65.074 56.608 412 2HG2 THR 52 2HG2 THR 52 50.598 63.338 56.711 413 3HG2 THR 52 3HG2 THR 52 48.957 63.723 57.204 414 H LYS 53 H LYS 53 46.855 62.276 53.406 415 HA LYS 53 HA LYS 53 45.757 60.936 55.912 416 1HB LYS 53 2HB LYS 53 44.051 60.843 53.326 417 2HB LYS 53 1HB LYS 53 43.561 60.705 55.090 418 1HG LYS 53 2HG LYS 53 42.704 62.723 54.358 419 2HG LYS 53 1HG LYS 53 44.338 63.219 55.087 420 1HD LYS 53 2HD LYS 53 44.852 64.185 53.098 421 2HD LYS 53 1HD LYS 53 44.959 62.476 52.502 422 1HE LYS 53 2HE LYS 53 42.665 62.594 51.555 423 2HE LYS 53 1HE LYS 53 42.302 64.076 52.615 424 1HZ LYS 53 1HZ LYS 53 44.039 65.175 51.253 425 2HZ LYS 53 2HZ LYS 53 42.676 64.741 50.388 426 3HZ LYS 53 3HZ LYS 53 44.012 63.821 50.215 427 H THR 54 H THR 54 45.307 58.880 55.668 428 HA THR 54 HA THR 54 47.080 57.511 53.612 429 HB THR 54 HB THR 54 47.522 55.789 55.215 430 HG1 THR 54 1HG THR 54 46.074 55.465 56.546 431 1HG2 THR 54 1HG2 THR 54 48.112 58.665 55.602 432 2HG2 THR 54 2HG2 THR 54 49.154 57.226 55.994 433 3HG2 THR 54 3HG2 THR 54 48.070 57.916 57.242 434 H ASN 55 H ASN 55 46.412 55.836 52.379 435 HA ASN 55 HA ASN 55 43.572 54.889 52.723 436 1HB ASN 55 2HB ASN 55 45.118 55.641 50.230 437 2HB ASN 55 1HB ASN 55 43.554 54.551 50.247 438 1HD2 ASN 55 2HD2 ASN 55 42.023 55.569 51.857 439 2HD2 ASN 55 1HD2 ASN 55 41.628 57.410 51.578 440 H SER 56 H SER 56 44.482 53.409 54.034 441 HA SER 56 HA SER 56 45.702 50.955 52.724 442 1HB SER 56 2HB SER 56 45.263 51.156 55.717 443 2HB SER 56 1HB SER 56 46.702 50.566 54.685 444 HG SER 56 HG SER 56 46.049 53.133 55.469 445 H THR 57 H THR 57 44.791 49.058 52.976 446 HA THR 57 HA THR 57 41.837 49.017 53.051 447 HB THR 57 HB THR 57 42.271 46.500 52.749 448 HG1 THR 57 1HG THR 57 44.380 46.166 51.797 449 1HG2 THR 57 1HG2 THR 57 42.822 46.728 50.351 450 2HG2 THR 57 2HG2 THR 57 43.558 48.354 50.533 451 3HG2 THR 57 3HG2 THR 57 41.789 48.167 50.774 452 H PHE 58 H PHE 58 44.552 48.456 55.042 453 HA PHE 58 HA PHE 58 42.946 46.852 57.018 454 1HB PHE 58 2HB PHE 58 45.577 46.797 56.441 455 2HB PHE 58 1HB PHE 58 45.563 47.945 57.867 456 HD1 PHE 58 HD1 PHE 58 43.905 44.664 56.846 457 HD2 PHE 58 HD2 PHE 58 45.735 47.023 59.891 458 HE1 PHE 58 HE1 PHE 58 43.639 42.740 58.540 459 HE2 PHE 58 HE2 PHE 58 45.455 45.159 61.508 460 HZ PHE 58 HZ PHE 58 44.406 43.002 60.814 461 H ARG 59 H ARG 59 44.837 49.965 57.310 462 HA ARG 59 HA ARG 59 42.530 50.826 59.174 463 1HB ARG 59 2HB ARG 59 45.134 49.968 60.048 464 2HB ARG 59 1HB ARG 59 45.044 51.792 60.243 465 1HG ARG 59 2HG ARG 59 44.192 50.839 62.276 466 2HG ARG 59 1HG ARG 59 42.718 51.384 61.335 467 1HD ARG 59 2HD ARG 59 42.122 49.138 60.850 468 2HD ARG 59 1HD ARG 59 43.808 48.538 61.150 469 HE ARG 59 HE ARG 59 42.541 49.750 63.490 470 1HH1 ARG 59 2HH2 ARG 59 43.258 46.765 61.621 471 2HH1 ARG 59 1HH2 ARG 59 43.112 45.702 62.963 472 1HH2 ARG 59 1HH1 ARG 59 42.351 48.180 65.380 473 2HH2 ARG 59 2HH1 ARG 59 42.600 46.485 64.999 474 H ASN 60 H ASN 60 42.114 52.753 59.347 475 HA ASN 60 HA ASN 60 43.446 54.594 57.340 476 1HB ASN 60 2HB ASN 60 40.745 54.002 57.708 477 2HB ASN 60 1HB ASN 60 40.917 55.456 58.855 478 1HD2 ASN 60 1HD2 ASN 60 39.294 55.351 56.789 479 2HD2 ASN 60 2HD2 ASN 60 39.802 56.418 55.468 480 H TYR 61 H TYR 61 44.090 56.466 57.697 481 HA TYR 61 HA TYR 61 44.076 57.576 60.417 482 1HB TYR 61 2HB TYR 61 45.719 55.611 60.456 483 2HB TYR 61 1HB TYR 61 46.707 56.574 59.258 484 HD1 TYR 61 HD1 TYR 61 48.538 57.261 60.270 485 HD2 TYR 61 HD2 TYR 61 44.871 57.600 62.523 486 HE1 TYR 61 HE1 TYR 61 49.785 58.401 62.034 487 HE2 TYR 61 HE2 TYR 61 46.162 58.763 64.298 488 HH TYR 61 HH TYR 61 48.094 59.952 64.702 489 H ASP 62 H ASP 62 45.293 59.529 60.621 490 HA ASP 62 HA ASP 62 46.367 60.894 58.172 491 1HB ASP 62 2HB ASP 62 45.018 62.907 58.843 492 2HB ASP 62 1HB ASP 62 43.986 61.489 58.082 493 H LEU 63 H LEU 63 47.533 62.735 58.461 494 HA LEU 63 HA LEU 63 48.447 63.035 61.327 495 1HB LEU 63 2HB LEU 63 49.836 62.048 59.041 496 2HB LEU 63 1HB LEU 63 50.514 63.719 59.287 497 HG LEU 63 HG LEU 63 51.907 62.151 60.588 498 1HD1 LEU 63 1HD1 LEU 63 51.779 64.126 61.826 499 2HD1 LEU 63 2HD1 LEU 63 51.230 62.825 62.964 500 3HD1 LEU 63 3HD1 LEU 63 50.017 63.944 62.208 501 1HD2 LEU 63 1HD2 LEU 63 49.830 60.478 60.498 502 2HD2 LEU 63 2HD2 LEU 63 49.320 61.319 61.995 503 3HD2 LEU 63 3HD2 LEU 63 50.915 60.431 61.973 504 H ASP 64 H ASP 64 46.339 64.639 59.993 505 HA ASP 64 HA ASP 64 47.472 67.065 58.993 506 1HB ASP 64 2HB ASP 64 45.354 68.090 60.109 507 2HB ASP 64 1HB ASP 64 45.001 66.671 58.890 508 H PHE 65 H PHE 65 48.781 68.537 59.854 509 HA PHE 65 HA PHE 65 48.574 69.083 62.754 510 1HB PHE 65 2HB PHE 65 50.093 67.080 62.703 511 2HB PHE 65 1HB PHE 65 51.065 67.915 61.424 512 HD1 PHE 65 HD1 PHE 65 53.012 68.868 62.125 513 HD2 PHE 65 HD2 PHE 65 49.564 68.711 64.753 514 HE1 PHE 65 HE1 PHE 65 54.314 69.975 63.914 515 HE2 PHE 65 HE2 PHE 65 50.914 69.809 66.477 516 HZ PHE 65 HZ PHE 65 53.264 70.453 66.128 517 H THR 66 H THR 66 49.680 70.803 63.336 518 HA THR 66 HA THR 66 50.274 73.014 61.357 519 HB THR 66 HB THR 66 49.778 72.789 64.371 520 HG1 THR 66 1HG THR 66 48.153 72.855 62.316 521 1HG2 THR 66 1HG2 THR 66 51.134 74.887 63.356 522 2HG2 THR 66 2HG2 THR 66 49.702 75.198 64.400 523 3HG2 THR 66 3HG2 THR 66 49.517 75.336 62.604 524 H VAL 67 H VAL 67 52.329 72.433 60.667 525 HA VAL 67 HA VAL 67 54.417 71.317 62.144 526 HB VAL 67 HB VAL 67 54.707 73.706 60.240 527 1HG1 VAL 67 1HG1 VAL 67 56.478 71.838 61.725 528 2HG1 VAL 67 2HG1 VAL 67 56.976 73.327 60.785 529 3HG1 VAL 67 3HG1 VAL 67 56.737 71.755 59.907 530 1HG2 VAL 67 1HG2 VAL 67 54.085 70.774 59.849 531 2HG2 VAL 67 2HG2 VAL 67 55.224 71.530 58.643 532 3HG2 VAL 67 3HG2 VAL 67 53.573 72.246 58.912 533 H GLY 68 H GLY 68 55.381 71.613 63.834 534 1HA GLY 68 1HA GLY 68 56.644 72.730 65.421 535 2HA GLY 68 2HA GLY 68 56.252 74.380 64.606 536 H VAL 69 H VAL 69 53.376 73.065 64.959 537 HA VAL 69 HA VAL 69 53.050 74.282 67.753 538 HB VAL 69 HB VAL 69 51.202 73.925 65.357 539 1HG1 VAL 69 1HG1 VAL 69 50.656 75.007 68.086 540 2HG1 VAL 69 2HG1 VAL 69 49.593 74.203 66.911 541 3HG1 VAL 69 3HG1 VAL 69 49.982 75.978 66.690 542 1HG2 VAL 69 1HG2 VAL 69 51.505 76.360 64.805 543 2HG2 VAL 69 2HG2 VAL 69 53.082 75.535 64.882 544 3HG2 VAL 69 3HG2 VAL 69 52.488 76.644 66.257 545 H GLU 70 H GLU 70 53.654 72.291 68.508 546 HA GLU 70 HA GLU 70 52.701 69.828 67.921 547 1HB GLU 70 2HB GLU 70 52.766 69.188 70.322 548 2HB GLU 70 1HB GLU 70 54.228 70.218 69.830 549 1HG GLU 70 2HG GLU 70 53.735 71.902 71.159 550 2HG GLU 70 1HG GLU 70 51.895 71.744 70.784 551 H PHE 71 H PHE 71 51.392 68.443 68.365 552 HA PHE 71 HA PHE 71 48.667 69.355 69.257 553 1HB PHE 71 2HB PHE 71 48.878 69.534 66.666 554 2HB PHE 71 1HB PHE 71 48.935 67.726 66.647 555 HD1 PHE 71 HD1 PHE 71 47.033 66.430 67.316 556 HD2 PHE 71 HD2 PHE 71 46.806 70.693 67.266 557 HE1 PHE 71 HE1 PHE 71 44.562 66.268 67.418 558 HE2 PHE 71 HE2 PHE 71 44.309 70.580 67.376 559 HZ PHE 71 HZ PHE 71 43.217 68.368 67.446 560 H ASP 72 H ASP 72 47.838 67.975 70.597 561 HA ASP 72 HA ASP 72 48.762 65.171 70.761 562 1HB ASP 72 2HB ASP 72 46.150 66.204 72.062 563 2HB ASP 72 1HB ASP 72 47.386 65.050 72.762 564 H GLU 73 H GLU 73 48.363 64.336 68.812 565 HA GLU 73 HA GLU 73 45.811 64.167 67.388 566 1HB GLU 73 2HB GLU 73 48.571 63.472 67.062 567 2HB GLU 73 1HB GLU 73 47.659 61.931 67.062 568 1HG GLU 73 2HG GLU 73 47.632 62.736 64.766 569 2HG GLU 73 1HG GLU 73 45.930 62.996 65.492 570 H HIS 74 H HIS 74 45.664 61.458 66.958 571 HA HIS 74 HA HIS 74 45.378 60.061 69.481 572 1HB HIS 74 2HB HIS 74 43.214 61.811 68.473 573 2HB HIS 74 1HB HIS 74 42.680 60.079 68.503 574 HD1 HIS 74 HD1 HIS 74 42.106 62.603 70.764 575 HD2 HIS 74 HD2 HIS 74 44.391 59.104 70.955 576 HE1 HIS 74 HE1 HIS 74 42.356 62.009 73.294 577 HE2 HIS 74 HE2 HIS 74 43.718 59.932 73.445 578 H THR 75 H THR 75 45.923 58.219 69.025 579 HA THR 75 HA THR 75 45.462 56.843 66.435 580 HB THR 75 HB THR 75 46.802 55.068 67.994 581 HG1 THR 75 1HG THR 75 48.136 56.629 69.294 582 1HG2 THR 75 1HG2 THR 75 48.914 56.313 67.138 583 2HG2 THR 75 2HG2 THR 75 48.093 57.904 67.303 584 3HG2 THR 75 3HG2 THR 75 47.585 56.812 65.959 585 H LYS 76 H LYS 76 43.672 57.373 68.899 586 HA LYS 76 HA LYS 76 42.718 54.780 69.882 587 1HB LYS 76 2HB LYS 76 40.470 56.089 70.302 588 2HB LYS 76 1HB LYS 76 41.986 56.676 71.117 589 1HG LYS 76 2HG LYS 76 42.316 58.471 69.768 590 2HG LYS 76 1HG LYS 76 41.542 57.675 68.320 591 1HD LYS 76 2HD LYS 76 39.792 58.469 70.696 592 2HD LYS 76 1HD LYS 76 40.267 59.676 69.356 593 1HE LYS 76 2HE LYS 76 38.891 56.930 68.941 594 2HE LYS 76 1HE LYS 76 38.113 58.572 68.754 595 1HZ LYS 76 1HZ LYS 76 39.901 59.020 67.098 596 2HZ LYS 76 2HZ LYS 76 38.653 58.028 66.638 597 3HZ LYS 76 3HZ LYS 76 40.148 57.374 66.975 598 H GLY 77 H GLY 77 42.390 53.240 68.604 599 1HA GLY 77 1HA GLY 77 40.104 52.489 67.621 600 2HA GLY 77 2HA GLY 77 40.610 53.599 66.234 601 H LEU 78 H LEU 78 43.264 53.367 66.779 602 HA LEU 78 HA LEU 78 43.924 50.942 65.147 603 1HB LEU 78 2HB LEU 78 45.084 53.663 65.741 604 2HB LEU 78 1HB LEU 78 46.314 52.352 65.789 605 HG LEU 78 HG LEU 78 44.233 52.338 63.558 606 1HD1 LEU 78 1HD1 LEU 78 45.409 54.074 62.289 607 2HD1 LEU 78 2HD1 LEU 78 46.512 54.355 63.735 608 3HD1 LEU 78 3HD1 LEU 78 44.721 54.715 63.873 609 1HD2 LEU 78 1HD2 LEU 78 47.143 51.690 64.142 610 2HD2 LEU 78 2HD2 LEU 78 46.738 52.128 62.396 611 3HD2 LEU 78 3HD2 LEU 78 46.017 50.670 63.208 612 H ASP 79 H ASP 79 45.100 52.575 68.096 613 HA ASP 79 HA ASP 79 45.191 50.083 69.580 614 1HB ASP 79 2HB ASP 79 46.898 49.270 68.166 615 2HB ASP 79 1HB ASP 79 47.700 50.977 68.030 616 H GLY 80 H GLY 80 46.615 53.362 69.034 617 1HA GLY 80 1HA GLY 80 47.841 53.449 71.657 618 2HA GLY 80 2HA GLY 80 47.752 54.779 70.405 619 H ARG 81 H ARG 81 45.858 55.892 70.372 620 HA ARG 81 HA ARG 81 43.930 56.930 71.169 621 1HB ARG 81 2HB ARG 81 44.164 55.330 73.799 622 2HB ARG 81 1HB ARG 81 42.648 56.150 73.112 623 1HG ARG 81 2HG ARG 81 42.195 54.391 71.741 624 2HG ARG 81 1HG ARG 81 43.867 54.127 71.258 625 1HD ARG 81 2HD ARG 81 44.026 53.248 73.902 626 2HD ARG 81 1HD ARG 81 42.259 53.045 73.645 627 HE ARG 81 HE ARG 81 44.015 51.903 71.567 628 1HH1 ARG 81 1HH2 ARG 81 42.014 51.359 74.571 629 2HH1 ARG 81 2HH2 ARG 81 41.887 49.653 74.297 630 1HH2 ARG 81 2HH1 ARG 81 43.797 49.635 71.308 631 2HH2 ARG 81 1HH1 ARG 81 42.912 48.622 72.412 632 H ASN 82 H ASN 82 46.782 57.567 71.599 633 HA ASN 82 HA ASN 82 46.306 60.083 72.715 634 1HB ASN 82 2HB ASN 82 47.876 59.583 74.947 635 2HB ASN 82 1HB ASN 82 45.996 59.386 74.974 636 1HD2 ASN 82 1HD2 ASN 82 48.992 57.601 74.113 637 2HD2 ASN 82 2HD2 ASN 82 48.410 56.110 74.809 638 H VAL 83 H VAL 83 47.554 60.727 71.137 639 HA VAL 83 HA VAL 83 50.520 60.533 71.661 640 HB VAL 83 HB VAL 83 51.140 60.152 69.465 641 1HG1 VAL 83 1HG1 VAL 83 48.785 58.349 70.183 642 2HG1 VAL 83 2HG1 VAL 83 50.522 58.015 70.260 643 3HG1 VAL 83 3HG1 VAL 83 49.704 58.134 68.619 644 1HG2 VAL 83 1HG2 VAL 83 49.567 61.601 68.196 645 2HG2 VAL 83 2HG2 VAL 83 48.152 60.608 68.696 646 3HG2 VAL 83 3HG2 VAL 83 49.424 59.881 67.565 647 H LYS 84 H LYS 84 51.841 61.973 71.209 648 HA LYS 84 HA LYS 84 50.736 64.622 70.427 649 1HB LYS 84 2HB LYS 84 52.561 63.672 72.616 650 2HB LYS 84 1HB LYS 84 52.877 65.334 71.926 651 1HG LYS 84 2HG LYS 84 51.318 65.860 73.588 652 2HG LYS 84 1HG LYS 84 50.260 65.596 72.087 653 1HD LYS 84 2HD LYS 84 49.132 64.239 73.711 654 2HD LYS 84 1HD LYS 84 50.291 63.051 72.983 655 1HE LYS 84 2HE LYS 84 50.755 62.850 75.410 656 2HE LYS 84 1HE LYS 84 51.956 64.099 74.820 657 1HZ LYS 84 1HZ LYS 84 50.005 65.726 75.347 658 2HZ LYS 84 2HZ LYS 84 50.895 65.144 76.634 659 3HZ LYS 84 3HZ LYS 84 49.392 64.480 76.261 660 H THR 85 H THR 85 51.350 65.308 68.703 661 HA THR 85 HA THR 85 53.852 64.516 67.277 662 HB THR 85 HB THR 85 51.107 65.434 66.712 663 HG1 THR 85 1HG THR 85 51.175 63.556 65.945 664 1HG2 THR 85 1HG2 THR 85 52.429 67.112 65.304 665 2HG2 THR 85 2HG2 THR 85 52.019 65.764 64.174 666 3HG2 THR 85 3HG2 THR 85 53.667 65.875 64.935 667 H LEU 86 H LEU 86 55.358 65.718 66.659 668 HA LEU 86 HA LEU 86 55.097 68.679 66.838 669 1HB LEU 86 2HB LEU 86 55.936 68.166 69.118 670 2HB LEU 86 1HB LEU 86 57.325 67.216 68.348 671 HG LEU 86 HG LEU 86 57.108 70.109 67.481 672 1HD1 LEU 86 1HD1 LEU 86 58.034 70.846 69.507 673 2HD1 LEU 86 2HD1 LEU 86 58.712 69.210 69.894 674 3HD1 LEU 86 3HD1 LEU 86 56.974 69.461 70.171 675 1HD2 LEU 86 1HD2 LEU 86 58.963 67.744 67.362 676 2HD2 LEU 86 2HD2 LEU 86 59.694 69.220 68.140 677 3HD2 LEU 86 3HD2 LEU 86 59.018 69.331 66.476 678 H VAL 87 H VAL 87 55.718 69.365 65.032 679 HA VAL 87 HA VAL 87 57.991 68.036 63.693 680 HB VAL 87 HB VAL 87 55.385 69.328 62.489 681 1HG1 VAL 87 1HG1 VAL 87 56.141 68.980 60.286 682 2HG1 VAL 87 2HG1 VAL 87 57.453 67.906 60.802 683 3HG1 VAL 87 3HG1 VAL 87 57.591 69.729 61.036 684 1HG2 VAL 87 1HG2 VAL 87 56.553 66.502 62.259 685 2HG2 VAL 87 2HG2 VAL 87 54.969 67.068 61.662 686 3HG2 VAL 87 3HG2 VAL 87 55.258 66.935 63.450 687 H THR 88 H THR 88 59.353 69.171 62.377 688 HA THR 88 HA THR 88 59.431 72.141 62.550 689 HB THR 88 HB THR 88 61.324 70.080 63.775 690 HG1 THR 88 1HG THR 88 60.674 70.956 65.512 691 1HG2 THR 88 1HG2 THR 88 62.040 72.990 63.996 692 2HG2 THR 88 2HG2 THR 88 62.145 72.558 62.287 693 3HG2 THR 88 3HG2 THR 88 63.141 71.601 63.459 694 H TRP 89 H TRP 89 59.691 72.664 60.500 695 HA TRP 89 HA TRP 89 60.689 71.070 58.284 696 1HB TRP 89 2HB TRP 89 60.312 74.027 58.873 697 2HB TRP 89 1HB TRP 89 61.253 73.517 57.394 698 HD1 TRP 89 HD1 TRP 89 57.753 73.187 58.951 699 HE1 TRP 89 HE1 TRP 89 56.219 72.337 57.060 700 HE3 TRP 89 HE3 TRP 89 61.288 72.438 55.506 701 HZ2 TRP 89 HZ2 TRP 89 56.641 71.391 54.223 702 HZ3 TRP 89 HZ3 TRP 89 60.800 71.619 53.369 703 HH2 TRP 89 HH2 TRP 89 58.535 71.113 52.734 704 H GLU 90 H GLU 90 62.626 70.287 57.737 705 HA GLU 90 HA GLU 90 64.867 71.133 59.414 706 1HB GLU 90 2HB GLU 90 64.206 69.038 57.318 707 2HB GLU 90 1HB GLU 90 65.919 69.377 57.722 708 1HG GLU 90 2HG GLU 90 65.022 69.024 60.324 709 2HG GLU 90 1HG GLU 90 63.644 68.194 59.331 710 H GLY 91 H GLY 91 64.233 70.730 56.015 711 1HA GLY 91 1HA GLY 91 65.543 73.232 55.182 712 2HA GLY 91 2HA GLY 91 66.179 71.623 54.455 713 H ASN 92 H ASN 92 64.958 70.305 53.542 714 HA ASN 92 HA ASN 92 62.586 71.347 52.083 715 1HB ASN 92 2HB ASN 92 63.393 70.263 50.181 716 2HB ASN 92 1HB ASN 92 64.924 69.801 51.190 717 1HD2 ASN 92 2HD2 ASN 92 64.775 68.001 52.623 718 2HD2 ASN 92 1HD2 ASN 92 63.827 66.616 52.089 719 H THR 93 H THR 93 63.646 69.345 54.533 720 HA THR 93 HA THR 93 61.276 67.581 54.574 721 HB THR 93 HB THR 93 63.336 67.373 56.786 722 HG1 THR 93 1HG THR 93 63.806 67.046 54.076 723 1HG2 THR 93 1HG2 THR 93 61.613 65.613 54.890 724 2HG2 THR 93 2HG2 THR 93 61.816 65.497 56.685 725 3HG2 THR 93 3HG2 THR 93 63.076 64.826 55.573 726 H LEU 94 H LEU 94 60.548 67.002 56.754 727 HA LEU 94 HA LEU 94 60.140 69.167 58.716 728 1HB LEU 94 2HB LEU 94 57.594 68.658 58.606 729 2HB LEU 94 1HB LEU 94 58.270 69.683 57.285 730 HG LEU 94 HG LEU 94 58.599 66.958 56.485 731 1HD1 LEU 94 1HD1 LEU 94 56.495 66.872 58.296 732 2HD1 LEU 94 2HD1 LEU 94 56.629 65.791 56.885 733 3HD1 LEU 94 3HD1 LEU 94 55.580 67.299 56.772 734 1HD2 LEU 94 1HD2 LEU 94 56.714 67.621 54.835 735 2HD2 LEU 94 2HD2 LEU 94 58.239 68.614 54.809 736 3HD2 LEU 94 3HD2 LEU 94 56.710 69.223 55.646 737 H VAL 95 H VAL 95 61.563 67.610 59.646 738 HA VAL 95 HA VAL 95 61.027 65.019 60.328 739 HB VAL 95 HB VAL 95 62.126 67.481 61.832 740 1HG1 VAL 95 1HG1 VAL 95 61.637 64.710 63.066 741 2HG1 VAL 95 2HG1 VAL 95 61.504 66.388 63.765 742 3HG1 VAL 95 3HG1 VAL 95 63.107 65.602 63.468 743 1HG2 VAL 95 1HG2 VAL 95 63.331 65.623 59.993 744 2HG2 VAL 95 2HG2 VAL 95 63.912 65.085 61.615 745 3HG2 VAL 95 3HG2 VAL 95 64.219 66.802 61.119 746 H CYS 96 H CYS 96 59.763 64.010 61.749 747 HA CYS 96 HA CYS 96 58.126 65.550 63.740 748 1HB CYS 96 2HB CYS 96 56.882 64.524 61.542 749 2HB CYS 96 1HB CYS 96 57.210 62.938 62.217 750 HG CYS 96 HG CYS 96 54.696 64.019 62.603 751 H VAL 97 H VAL 97 57.443 64.269 65.532 752 HA VAL 97 HA VAL 97 58.650 61.714 66.165 753 HB VAL 97 HB VAL 97 59.363 63.381 68.346 754 1HG1 VAL 97 1HG1 VAL 97 61.746 63.180 66.862 755 2HG1 VAL 97 2HG1 VAL 97 60.770 61.854 66.055 756 3HG1 VAL 97 3HG1 VAL 97 61.113 61.800 67.841 757 1HG2 VAL 97 1HG2 VAL 97 58.917 65.251 66.840 758 2HG2 VAL 97 2HG2 VAL 97 60.390 64.693 65.853 759 3HG2 VAL 97 3HG2 VAL 97 60.567 65.241 67.602 760 H GLN 98 H GLN 98 56.820 60.958 66.484 761 HA GLN 98 HA GLN 98 54.700 62.098 68.191 762 1HB GLN 98 2HB GLN 98 55.010 59.838 66.414 763 2HB GLN 98 1HB GLN 98 54.554 59.158 68.042 764 1HG GLN 98 2HG GLN 98 52.366 60.109 67.857 765 2HG GLN 98 1HG GLN 98 53.049 61.614 67.026 766 1HE2 GLN 98 2HE2 GLN 98 52.664 61.830 65.116 767 2HE2 GLN 98 1HE2 GLN 98 52.215 60.596 63.898 768 H LYS 99 H LYS 99 53.872 61.210 70.043 769 HA LYS 99 HA LYS 99 55.869 59.659 71.707 770 1HB LYS 99 2HB LYS 99 54.625 62.380 72.361 771 2HB LYS 99 1HB LYS 99 55.357 61.333 73.630 772 1HG LYS 99 2HG LYS 99 56.861 62.203 71.086 773 2HG LYS 99 1HG LYS 99 56.802 63.277 72.517 774 1HD LYS 99 2HD LYS 99 57.969 61.615 73.922 775 2HD LYS 99 1HD LYS 99 57.600 60.321 72.697 776 1HE LYS 99 2HE LYS 99 59.355 60.955 71.344 777 2HE LYS 99 1HE LYS 99 59.139 62.735 71.754 778 1HZ LYS 99 1HZ LYS 99 61.099 62.234 72.892 779 2HZ LYS 99 2HZ LYS 99 60.636 60.653 73.168 780 3HZ LYS 99 3HZ LYS 99 59.944 61.858 74.070 781 H GLY 100 H GLY 100 54.873 59.294 73.913 782 1HA GLY 100 1HA GLY 100 53.124 58.554 75.288 783 2HA GLY 100 2HA GLY 100 51.897 59.263 74.205 784 H GLU 101 H GLU 101 54.415 56.957 74.455 785 HA GLU 101 HA GLU 101 54.286 54.625 74.680 786 1HB GLU 101 2HB GLU 101 51.653 54.667 74.051 787 2HB GLU 101 1HB GLU 101 52.203 54.644 72.352 788 1HG GLU 101 2HG GLU 101 52.886 52.415 72.485 789 2HG GLU 101 1HG GLU 101 53.446 52.628 74.233 790 H LYS 102 H LYS 102 54.256 56.753 72.007 791 HA LYS 102 HA LYS 102 55.622 54.943 70.097 792 1HB LYS 102 2HB LYS 102 54.846 57.897 70.195 793 2HB LYS 102 1HB LYS 102 56.206 57.382 69.090 794 1HG LYS 102 2HG LYS 102 54.275 57.121 67.762 795 2HG LYS 102 1HG LYS 102 54.606 55.436 68.353 796 1HD LYS 102 2HD LYS 102 53.083 55.757 70.287 797 2HD LYS 102 1HD LYS 102 52.501 57.340 69.544 798 1HE LYS 102 2HE LYS 102 51.393 56.322 67.814 799 2HE LYS 102 1HE LYS 102 52.487 54.881 67.869 800 1HZ LYS 102 1HZ LYS 102 50.067 55.613 69.511 801 2HZ LYS 102 2HZ LYS 102 51.279 54.725 70.202 802 3HZ LYS 102 3HZ LYS 102 50.473 54.118 68.883 803 H GLU 103 H GLU 103 56.539 57.737 71.967 804 HA GLU 103 HA GLU 103 58.516 58.689 72.457 805 1HB GLU 103 2HB GLU 103 59.431 55.885 73.239 806 2HB GLU 103 1HB GLU 103 59.933 57.452 73.983 807 1HG GLU 103 2HG GLU 103 57.867 57.891 74.983 808 2HG GLU 103 1HG GLU 103 57.003 56.597 73.900 809 H ASN 104 H ASN 104 58.819 58.995 70.370 810 HA ASN 104 HA ASN 104 60.607 59.811 69.214 811 1HB ASN 104 2HB ASN 104 62.159 58.318 70.665 812 2HB ASN 104 1HB ASN 104 62.053 57.034 69.361 813 1HD2 ASN 104 2HD2 ASN 104 63.133 57.148 67.652 814 2HD2 ASN 104 1HD2 ASN 104 64.280 58.553 67.197 815 H ARG 105 H ARG 105 58.096 58.650 68.318 816 HA ARG 105 HA ARG 105 59.049 57.010 65.999 817 1HB ARG 105 2HB ARG 105 56.950 56.031 67.030 818 2HB ARG 105 1HB ARG 105 56.172 57.647 66.888 819 1HG ARG 105 2HG ARG 105 57.215 57.108 64.254 820 2HG ARG 105 1HG ARG 105 56.478 55.554 64.809 821 1HD ARG 105 2HD ARG 105 54.686 57.648 65.628 822 2HD ARG 105 1HD ARG 105 55.209 57.972 63.891 823 HE ARG 105 HE ARG 105 54.593 55.169 64.623 824 1HH1 ARG 105 1HH1 ARG 105 53.370 58.204 63.337 825 2HH1 ARG 105 2HH1 ARG 105 51.984 57.504 62.459 826 1HH2 ARG 105 2HH2 ARG 105 52.730 54.173 63.431 827 2HH2 ARG 105 1HH2 ARG 105 51.621 55.126 62.521 828 H GLY 106 H GLY 106 60.178 58.348 65.058 829 1HA GLY 106 1HA GLY 106 58.692 60.696 63.797 830 2HA GLY 106 2HA GLY 106 60.483 60.606 64.118 831 H TRP 107 H TRP 107 59.102 61.306 61.915 832 HA TRP 107 HA TRP 107 60.390 59.424 59.996 833 1HB TRP 107 2HB TRP 107 58.276 60.550 58.419 834 2HB TRP 107 1HB TRP 107 58.509 58.858 58.933 835 HD1 TRP 107 HD1 TRP 107 57.295 58.495 61.699 836 HE1 TRP 107 HE1 TRP 107 55.223 59.627 62.706 837 HE3 TRP 107 HE3 TRP 107 57.036 62.310 58.461 838 HZ2 TRP 107 HZ2 TRP 107 53.764 61.873 62.071 839 HZ3 TRP 107 HZ3 TRP 107 55.266 63.947 58.703 840 HH2 TRP 107 HH2 TRP 107 53.613 63.724 60.524 841 H LYS 108 H LYS 108 61.514 59.948 58.484 842 HA LYS 108 HA LYS 108 61.758 62.899 57.804 843 1HB LYS 108 2HB LYS 108 63.866 60.632 58.087 844 2HB LYS 108 1HB LYS 108 64.145 62.074 56.947 845 1HG LYS 108 2HG LYS 108 64.426 63.564 58.490 846 2HG LYS 108 1HG LYS 108 63.169 62.844 59.652 847 1HD LYS 108 2HD LYS 108 64.951 60.863 59.956 848 2HD LYS 108 1HD LYS 108 66.099 62.030 59.263 849 1HE LYS 108 2HE LYS 108 65.528 63.639 61.053 850 2HE LYS 108 1HE LYS 108 64.224 62.554 61.719 851 1HZ LYS 108 1HZ LYS 108 67.146 62.125 61.782 852 2HZ LYS 108 2HZ LYS 108 66.116 60.873 61.865 853 3HZ LYS 108 3HZ LYS 108 66.100 62.031 63.093 854 H GLN 109 H GLN 109 60.199 62.815 56.615 855 HA GLN 109 HA GLN 109 60.243 61.228 54.079 856 1HB GLN 109 2HB GLN 109 58.319 62.250 55.640 857 2HB GLN 109 1HB GLN 109 58.343 63.609 54.445 858 1HG GLN 109 2HG GLN 109 57.809 62.034 52.620 859 2HG GLN 109 1HG GLN 109 58.273 60.606 53.734 860 1HE2 GLN 109 1HE2 GLN 109 55.961 61.261 52.202 861 2HE2 GLN 109 2HE2 GLN 109 54.574 61.277 53.498 862 H TRP 110 H TRP 110 62.653 62.417 53.941 863 HA TRP 110 HA TRP 110 62.267 65.144 52.820 864 1HB TRP 110 2HB TRP 110 64.475 65.328 53.322 865 2HB TRP 110 1HB TRP 110 64.216 63.759 54.190 866 HD1 TRP 110 HD1 TRP 110 65.302 65.077 50.784 867 HE1 TRP 110 HE1 TRP 110 66.916 63.159 49.811 868 HE3 TRP 110 HE3 TRP 110 64.680 61.751 54.414 869 HZ2 TRP 110 HZ2 TRP 110 67.621 60.648 50.680 870 HZ3 TRP 110 HZ3 TRP 110 65.801 59.540 54.410 871 HH2 TRP 110 HH2 TRP 110 67.216 59.025 52.629 872 H VAL 111 H VAL 111 61.730 65.611 50.893 873 HA VAL 111 HA VAL 111 61.284 63.553 48.844 874 HB VAL 111 HB VAL 111 61.422 66.648 48.844 875 1HG1 VAL 111 1HG1 VAL 111 61.431 66.257 46.538 876 2HG1 VAL 111 2HG1 VAL 111 59.627 66.264 46.846 877 3HG1 VAL 111 3HG1 VAL 111 60.532 64.732 46.645 878 1HG2 VAL 111 1HG2 VAL 111 58.672 66.076 48.788 879 2HG2 VAL 111 2HG2 VAL 111 59.699 66.412 50.214 880 3HG2 VAL 111 3HG2 VAL 111 59.362 64.680 49.753 881 H GLU 112 H GLU 112 62.240 62.745 47.330 882 HA GLU 112 HA GLU 112 64.770 64.016 46.432 883 1HB GLU 112 2HB GLU 112 64.190 61.240 47.250 884 2HB GLU 112 1HB GLU 112 65.053 61.357 45.676 885 1HG GLU 112 2HG GLU 112 65.891 63.119 48.051 886 2HG GLU 112 1HG GLU 112 66.278 61.251 48.049 887 H GLY 113 H GLY 113 61.660 63.583 45.442 888 1HA GLY 113 1HA GLY 113 60.735 63.845 43.324 889 2HA GLY 113 2HA GLY 113 62.412 63.766 42.613 890 H ASP 114 H ASP 114 59.510 62.375 42.949 891 HA ASP 114 HA ASP 114 58.530 60.288 42.457 892 1HB ASP 114 2HB ASP 114 60.680 60.851 40.239 893 2HB ASP 114 1HB ASP 114 59.394 59.466 40.113 894 H LYS 115 H LYS 115 60.556 60.239 44.358 895 HA LYS 115 HA LYS 115 60.821 57.615 45.222 896 1HB LYS 115 2HB LYS 115 62.593 57.964 42.923 897 2HB LYS 115 1HB LYS 115 63.574 58.126 44.451 898 1HG LYS 115 2HG LYS 115 63.598 55.777 44.275 899 2HG LYS 115 1HG LYS 115 62.077 56.069 45.257 900 1HD LYS 115 2HD LYS 115 60.728 56.034 43.122 901 2HD LYS 115 1HD LYS 115 62.196 55.782 42.147 902 1HE LYS 115 2HE LYS 115 61.421 53.961 44.535 903 2HE LYS 115 1HE LYS 115 60.883 53.708 42.840 904 1HZ LYS 115 1HZ LYS 115 63.182 53.557 42.161 905 2HZ LYS 115 2HZ LYS 115 62.985 52.395 43.400 906 3HZ LYS 115 3HZ LYS 115 63.757 53.854 43.670 907 H LEU 116 H LEU 116 60.750 58.086 47.130 908 HA LEU 116 HA LEU 116 62.885 59.975 48.168 909 1HB LEU 116 2HB LEU 116 61.465 61.244 49.495 910 2HB LEU 116 1HB LEU 116 60.764 61.285 47.793 911 HG LEU 116 HG LEU 116 59.510 59.108 48.761 912 1HD1 LEU 116 1HD1 LEU 116 59.201 59.092 51.151 913 2HD1 LEU 116 2HD1 LEU 116 58.860 60.833 51.137 914 3HD1 LEU 116 3HD1 LEU 116 60.568 60.233 51.163 915 1HD2 LEU 116 1HD2 LEU 116 58.610 62.052 49.006 916 2HD2 LEU 116 2HD2 LEU 116 57.407 60.641 49.114 917 3HD2 LEU 116 3HD2 LEU 116 58.330 60.950 47.627 918 H TYR 117 H TYR 117 63.727 59.607 50.062 919 HA TYR 117 HA TYR 117 62.921 56.963 51.071 920 1HB TYR 117 2HB TYR 117 65.324 58.823 51.067 921 2HB TYR 117 1HB TYR 117 65.191 57.694 52.474 922 HD1 TYR 117 HD1 TYR 117 67.245 57.878 49.899 923 HD2 TYR 117 HD2 TYR 117 64.010 55.159 50.923 924 HE1 TYR 117 HE1 TYR 117 68.276 56.178 48.524 925 HE2 TYR 117 HE2 TYR 117 65.082 53.500 49.534 926 HH TYR 117 HH TYR 117 67.216 53.988 47.257 927 H LEU 118 H LEU 118 61.191 57.189 52.126 928 HA LEU 118 HA LEU 118 61.222 59.239 54.299 929 1HB LEU 118 2HB LEU 118 59.075 58.867 53.320 930 2HB LEU 118 1HB LEU 118 59.181 57.075 53.421 931 HG LEU 118 HG LEU 118 59.134 57.215 56.020 932 1HD1 LEU 118 1HD1 LEU 118 59.755 59.906 55.452 933 2HD1 LEU 118 2HD1 LEU 118 59.586 59.071 57.054 934 3HD1 LEU 118 3HD1 LEU 118 58.157 59.932 56.253 935 1HD2 LEU 118 1HD2 LEU 118 56.778 58.744 54.700 936 2HD2 LEU 118 2HD2 LEU 118 56.901 57.899 56.346 937 3HD2 LEU 118 3HD2 LEU 118 56.952 56.965 54.763 938 H GLU 119 H GLU 119 62.370 58.927 56.106 939 HA GLU 119 HA GLU 119 63.174 56.140 56.874 940 1HB GLU 119 2HB GLU 119 64.001 58.757 58.344 941 2HB GLU 119 1HB GLU 119 64.739 57.106 58.259 942 1HG GLU 119 2HG GLU 119 65.320 57.341 55.956 943 2HG GLU 119 1HG GLU 119 64.411 58.950 55.852 944 H LEU 120 H LEU 120 62.853 55.168 58.736 945 HA LEU 120 HA LEU 120 60.712 56.488 60.359 946 1HB LEU 120 2HB LEU 120 60.376 53.970 58.883 947 2HB LEU 120 1HB LEU 120 59.954 53.804 60.664 948 HG LEU 120 HG LEU 120 58.822 55.596 58.495 949 1HD1 LEU 120 1HD1 LEU 120 56.557 54.705 59.803 950 2HD1 LEU 120 2HD1 LEU 120 57.784 53.400 60.194 951 3HD1 LEU 120 3HD1 LEU 120 57.368 53.789 58.471 952 1HD2 LEU 120 1HD2 LEU 120 58.647 57.270 60.040 953 2HD2 LEU 120 2HD2 LEU 120 58.894 56.278 61.469 954 3HD2 LEU 120 3HD2 LEU 120 57.241 56.321 60.729 955 H THR 121 H THR 121 61.860 56.858 61.954 956 HA THR 121 HA THR 121 63.876 55.023 63.102 957 HB THR 121 HB THR 121 63.693 56.705 65.118 958 HG1 THR 121 1HG THR 121 62.339 58.284 63.185 959 1HG2 THR 121 1HG2 THR 121 64.323 58.000 62.338 960 2HG2 THR 121 2HG2 THR 121 65.328 56.661 63.066 961 3HG2 THR 121 3HG2 THR 121 65.204 58.276 63.912 962 H CYS 122 H CYS 122 60.494 55.143 63.174 963 HA CYS 122 HA CYS 122 59.186 54.545 65.313 964 1HB CYS 122 2HB CYS 122 59.798 52.743 62.883 965 2HB CYS 122 1HB CYS 122 58.649 52.165 64.057 966 HG CYS 122 HG CYS 122 57.953 55.183 63.550 967 H GLY 123 H GLY 123 60.713 54.316 66.974 968 1HA GLY 123 1HA GLY 123 60.763 52.535 68.799 969 2HA GLY 123 2HA GLY 123 61.330 51.407 67.510 970 H ASP 124 H ASP 124 62.790 51.041 69.157 971 HA ASP 124 HA ASP 124 65.045 52.813 69.817 972 1HB ASP 124 2HB ASP 124 64.391 49.786 70.013 973 2HB ASP 124 1HB ASP 124 66.089 50.364 70.422 974 H GLN 125 H GLN 125 64.476 50.066 67.688 975 HA GLN 125 HA GLN 125 67.099 50.729 66.293 976 1HB GLN 125 2HB GLN 125 66.890 48.363 66.933 977 2HB GLN 125 1HB GLN 125 65.286 48.232 66.134 978 1HG GLN 125 2HG GLN 125 66.131 47.720 64.147 979 2HG GLN 125 1HG GLN 125 67.034 49.289 64.177 980 1HE2 GLN 125 1HE2 GLN 125 69.014 49.094 64.016 981 2HE2 GLN 125 2HE2 GLN 125 70.069 47.701 64.746 982 H VAL 126 H VAL 126 67.143 51.464 64.376 983 HA VAL 126 HA VAL 126 64.860 52.894 63.327 984 HB VAL 126 HB VAL 126 67.684 52.375 62.148 985 1HG1 VAL 126 1HG1 VAL 126 65.409 54.426 61.778 986 2HG1 VAL 126 2HG1 VAL 126 65.970 53.266 60.489 987 3HG1 VAL 126 3HG1 VAL 126 66.983 54.732 61.060 988 1HG2 VAL 126 1HG2 VAL 126 66.896 53.697 64.578 989 2HG2 VAL 126 2HG2 VAL 126 67.188 55.012 63.403 990 3HG2 VAL 126 3HG2 VAL 126 68.487 53.791 63.748 991 H CYS 127 H CYS 127 63.664 52.676 61.596 992 HA CYS 127 HA CYS 127 63.975 50.228 59.803 993 1HB CYS 127 2HB CYS 127 61.289 51.604 60.293 994 2HB CYS 127 1HB CYS 127 61.597 49.871 60.289 995 HG CYS 127 HG CYS 127 63.056 50.058 62.697 996 H ARG 128 H ARG 128 62.424 50.734 57.878 997 HA ARG 128 HA ARG 128 62.879 53.660 57.169 998 1HB ARG 128 2HB ARG 128 64.959 52.320 56.663 999 2HB ARG 128 1HB ARG 128 64.018 51.367 55.450 1000 1HG ARG 128 2HG ARG 128 63.638 53.370 54.042 1001 2HG ARG 128 1HG ARG 128 64.248 54.446 55.348 1002 1HD ARG 128 2HD ARG 128 65.866 52.240 53.836 1003 2HD ARG 128 1HD ARG 128 65.935 54.080 53.569 1004 HE ARG 128 HE ARG 128 66.975 52.506 55.838 1005 1HH1 ARG 128 1HH1 ARG 128 66.638 55.739 54.168 1006 2HH1 ARG 128 2HH1 ARG 128 67.915 56.445 55.146 1007 1HH2 ARG 128 1HH2 ARG 128 68.615 53.535 57.054 1008 2HH2 ARG 128 2HH2 ARG 128 69.025 55.189 56.801 1009 H GLN 129 H GLN 129 61.720 54.504 55.601 1010 HA GLN 129 HA GLN 129 59.537 52.580 54.633 1011 1HB GLN 129 2HB GLN 129 59.102 54.692 56.169 1012 2HB GLN 129 1HB GLN 129 59.166 55.582 54.591 1013 1HG GLN 129 2HG GLN 129 56.938 55.008 54.665 1014 2HG GLN 129 1HG GLN 129 57.688 53.589 53.712 1015 1HE2 GLN 129 2HE2 GLN 129 58.897 52.655 56.466 1016 2HE2 GLN 129 1HE2 GLN 129 57.529 51.989 57.312 1017 H VAL 130 H VAL 130 59.259 52.208 52.395 1018 HA VAL 130 HA VAL 130 60.971 53.884 50.614 1019 HB VAL 130 HB VAL 130 59.465 51.420 49.523 1020 1HG1 VAL 130 1HG1 VAL 130 61.469 51.073 48.178 1021 2HG1 VAL 130 2HG1 VAL 130 62.477 52.055 49.315 1022 3HG1 VAL 130 3HG1 VAL 130 61.205 52.844 48.262 1023 1HG2 VAL 130 1HG2 VAL 130 61.455 50.001 50.285 1024 2HG2 VAL 130 2HG2 VAL 130 60.104 50.326 51.475 1025 3HG2 VAL 130 3HG2 VAL 130 61.636 51.177 51.710 1026 H PHE 131 H PHE 131 60.133 54.959 49.187 1027 HA PHE 131 HA PHE 131 57.142 54.937 48.644 1028 1HB PHE 131 2HB PHE 131 59.041 56.944 49.898 1029 2HB PHE 131 1HB PHE 131 57.928 57.577 48.568 1030 HD1 PHE 131 HD1 PHE 131 57.634 55.278 51.534 1031 HD2 PHE 131 HD2 PHE 131 56.068 58.523 49.274 1032 HE1 PHE 131 HE1 PHE 131 55.731 55.381 53.164 1033 HE2 PHE 131 HE2 PHE 131 54.181 58.650 50.865 1034 HZ PHE 131 HZ PHE 131 53.992 57.084 52.827 1035 H LYS 132 H LYS 132 56.664 56.656 47.015 1036 HA LYS 132 HA LYS 132 58.716 57.301 45.054 1037 1HB LYS 132 2HB LYS 132 56.988 56.213 43.230 1038 2HB LYS 132 1HB LYS 132 58.180 55.174 44.123 1039 1HG LYS 132 2HG LYS 132 56.488 53.972 45.119 1040 2HG LYS 132 1HG LYS 132 55.591 55.496 45.624 1041 1HD LYS 132 2HD LYS 132 54.599 55.773 43.486 1042 2HD LYS 132 1HD LYS 132 55.681 54.526 42.713 1043 1HE LYS 132 2HE LYS 132 53.743 53.814 45.015 1044 2HE LYS 132 1HE LYS 132 53.103 54.072 43.351 1045 1HZ LYS 132 1HZ LYS 132 55.014 52.355 42.816 1046 2HZ LYS 132 2HZ LYS 132 53.548 51.826 43.494 1047 3HZ LYS 132 3HZ LYS 132 54.893 51.994 44.432 1048 H LYS 133 H LYS 133 57.719 58.919 43.666 1049 HA LYS 133 HA LYS 133 54.915 59.701 44.596 1050 1HB LYS 133 2HB LYS 133 55.647 61.722 45.635 1051 2HB LYS 133 1HB LYS 133 57.087 60.605 45.822 1052 1HG LYS 133 2HG LYS 133 58.326 62.213 44.807 1053 2HG LYS 133 1HG LYS 133 57.417 61.939 43.276 1054 1HD LYS 133 2HD LYS 133 55.602 63.488 44.732 1055 2HD LYS 133 1HD LYS 133 57.256 64.180 45.162 1056 1HE LYS 133 2HE LYS 133 57.777 63.806 42.604 1057 2HE LYS 133 1HE LYS 133 55.937 63.925 42.458 1058 1HZ LYS 133 1HZ LYS 133 56.020 66.091 43.356 1059 2HZ LYS 133 2HZ LYS 133 57.189 66.038 42.219 1060 3HZ LYS 133 3HZ LYS 133 57.598 65.973 43.864 1061 H LYS 134 H LYS 134 54.200 61.730 43.816 1062 HA LYS 134 HA LYS 134 54.944 62.475 41.096 1063 1HB LYS 134 2HB LYS 134 52.781 60.413 41.608 1064 2HB LYS 134 1HB LYS 134 52.272 61.676 40.476 1065 1HG LYS 134 2HG LYS 134 53.520 60.590 38.847 1066 2HG LYS 134 1HG LYS 134 55.067 60.892 39.780 1067 1HD LYS 134 2HD LYS 134 54.127 58.885 41.294 1068 2HD LYS 134 1HD LYS 134 53.289 58.480 39.744 1069 1HE LYS 134 2HE LYS 134 55.852 59.232 38.859 1070 2HE LYS 134 1HE LYS 134 56.171 58.253 40.401 1071 1HZ LYS 134 1HZ LYS 134 54.433 56.720 39.142 1072 2HZ LYS 134 2HZ LYS 134 56.111 56.627 38.885 1073 3HZ LYS 134 3HZ LYS 134 55.196 57.390 37.797 1074 1H2 RTL 135 1H2 RET 135 47.655 51.135 57.778 1075 2H2 RTL 135 2H2 RET 135 46.375 51.397 58.829 1076 1H3 RTL 135 1H3 RET 135 47.046 49.435 59.827 1077 2H3 RTL 135 2H3 RET 135 48.515 49.475 59.016 1078 1H4 RTL 135 1H4 RET 135 48.998 49.567 61.402 1079 2H4 RTL 135 2H4 RET 135 47.904 50.823 61.719 1080 H7 RTL 135 H7 RET 135 51.236 53.009 58.937 1081 H8 RTL 135 H8 RET 135 49.427 55.133 60.329 1082 H10 RTL 135 H10 RET 135 49.848 56.853 58.236 1083 H11 RTL 135 H11 RET 135 52.644 57.389 57.666 1084 H12 RTL 135 H12 RET 135 50.966 59.603 59.026 1085 H14 RTL 135 H14 RET 135 51.520 61.178 56.845 1086 1H15 RTL 135 1H15 RET 135 53.388 62.183 55.649 1087 2H15 RTL 135 2H15 RET 135 54.537 61.792 56.981 1088 HO1 RTL 135 H51 RET 135 52.352 63.324 57.579 1089 1H16 RTL 135 1H16 RET 135 47.288 53.481 57.426 1090 2H16 RTL 135 2H16 RET 135 49.030 53.488 57.469 1091 3H16 RTL 135 3H16 RET 135 48.127 54.640 58.450 1092 1H17 RTL 135 1H17 RET 135 46.477 54.079 59.328 1093 2H17 RTL 135 2H17 RET 135 47.670 54.335 60.584 1094 3H17 RTL 135 3H17 RET 135 46.481 53.019 60.694 1095 1H18 RTL 135 1H18 RET 135 50.958 51.534 62.324 1096 2H18 RTL 135 2H18 RET 135 51.753 51.692 60.796 1097 3H18 RTL 135 3H18 RET 135 51.208 50.053 61.355 1098 1H19 RTL 135 1H19 RET 135 52.615 54.689 60.609 1099 2H19 RTL 135 2H19 RET 135 52.894 56.430 60.613 1100 3H19 RTL 135 3H19 RET 135 53.337 55.452 59.201 1101 1H20 RTL 135 1H20 RET 135 54.799 60.563 58.464 1102 2H20 RTL 135 2H20 RET 135 54.532 58.845 58.108 1103 3H20 RTL 135 3H20 RET 135 54.087 59.538 59.710 Start of MODEL 4 1 1H MET 1 1H MET 1 61.935 71.026 44.893 2 2H MET 1 2H MET 1 62.418 70.271 43.503 3 3H MET 1 3H MET 1 62.499 71.972 43.655 4 HA MET 1 HA MET 1 64.379 70.018 44.731 5 1HB MET 1 2HB MET 1 65.037 71.469 42.784 6 2HB MET 1 1HB MET 1 64.395 72.906 43.703 7 1HG MET 1 2HG MET 1 66.119 72.818 45.338 8 2HG MET 1 1HG MET 1 66.468 71.136 45.144 9 1HE MET 1 1HE MET 1 67.691 74.699 42.330 10 2HE MET 1 2HE MET 1 66.662 74.786 43.813 11 3HE MET 1 3HE MET 1 65.935 74.112 42.434 12 H THR 2 H THR 2 62.888 73.280 45.319 13 HA THR 2 HA THR 2 64.246 73.675 47.791 14 HB THR 2 HB THR 2 61.462 74.658 48.015 15 HG1 THR 2 1HG THR 2 61.615 75.869 46.028 16 1HG2 THR 2 1HG2 THR 2 63.919 75.649 48.725 17 2HG2 THR 2 2HG2 THR 2 62.784 76.818 48.059 18 3HG2 THR 2 3HG2 THR 2 64.103 76.096 47.029 19 H LYS 3 H LYS 3 60.715 72.910 47.503 20 HA LYS 3 HA LYS 3 61.043 70.530 49.197 21 1HB LYS 3 2HB LYS 3 59.378 71.888 50.967 22 2HB LYS 3 1HB LYS 3 61.155 71.605 51.214 23 1HG LYS 3 2HG LYS 3 61.561 73.907 50.132 24 2HG LYS 3 1HG LYS 3 59.781 73.940 49.800 25 1HD LYS 3 2HD LYS 3 59.418 73.876 52.333 26 2HD LYS 3 1HD LYS 3 61.225 73.792 52.518 27 1HE LYS 3 2HE LYS 3 60.164 75.987 50.805 28 2HE LYS 3 1HE LYS 3 59.749 76.134 52.603 29 1HZ LYS 3 1HZ LYS 3 61.982 76.347 53.193 30 2HZ LYS 3 2HZ LYS 3 62.024 77.091 51.727 31 3HZ LYS 3 3HZ LYS 3 62.501 75.465 51.897 32 H ASP 4 H ASP 4 58.287 72.748 49.503 33 HA ASP 4 HA ASP 4 56.042 72.438 49.116 34 1HB ASP 4 2HB ASP 4 57.134 71.091 46.562 35 2HB ASP 4 1HB ASP 4 55.383 71.460 46.937 36 H GLN 5 H GLN 5 55.597 70.918 50.981 37 HA GLN 5 HA GLN 5 56.082 68.069 50.707 38 1HB GLN 5 2HB GLN 5 54.030 69.865 52.238 39 2HB GLN 5 1HB GLN 5 54.503 68.138 52.749 40 1HG GLN 5 2HG GLN 5 56.889 69.053 52.948 41 2HG GLN 5 1HG GLN 5 56.081 70.723 52.865 42 1HE2 GLN 5 1HE2 GLN 5 53.605 69.916 54.136 43 2HE2 GLN 5 2HE2 GLN 5 54.037 69.745 55.833 44 H ASN 6 H ASN 6 53.240 70.152 50.424 45 HA ASN 6 HA ASN 6 51.193 68.599 49.677 46 1HB ASN 6 2HB ASN 6 51.095 70.440 47.440 47 2HB ASN 6 1HB ASN 6 50.404 70.631 49.127 48 1HD2 ASN 6 1HD2 ASN 6 50.719 72.544 49.649 49 2HD2 ASN 6 2HD2 ASN 6 52.390 73.419 49.572 50 H GLY 7 H GLY 7 51.808 66.643 49.024 51 1HA GLY 7 1HA GLY 7 51.749 66.328 46.038 52 2HA GLY 7 2HA GLY 7 53.175 65.679 46.876 53 H THR 8 H THR 8 52.180 63.905 45.651 54 HA THR 8 HA THR 8 50.466 62.258 47.389 55 HB THR 8 HB THR 8 50.421 62.696 44.341 56 HG1 THR 8 1HG THR 8 48.555 63.328 44.927 57 1HG2 THR 8 1HG2 THR 8 49.091 60.493 44.154 58 2HG2 THR 8 2HG2 THR 8 49.067 60.339 45.975 59 3HG2 THR 8 3HG2 THR 8 50.603 60.071 45.082 60 H TRP 9 H TRP 9 50.936 60.146 47.429 61 HA TRP 9 HA TRP 9 53.326 59.128 46.180 62 1HB TRP 9 2HB TRP 9 54.099 58.900 48.999 63 2HB TRP 9 1HB TRP 9 55.019 59.658 47.683 64 HD1 TRP 9 HD1 TRP 9 51.719 60.400 49.629 65 HE1 TRP 9 HE1 TRP 9 51.671 62.833 50.462 66 HE3 TRP 9 HE3 TRP 9 56.050 61.717 47.820 67 HZ2 TRP 9 HZ2 TRP 9 53.437 64.981 50.260 68 HZ3 TRP 9 HZ3 TRP 9 56.988 63.964 48.077 69 HH2 TRP 9 HH2 TRP 9 55.750 65.630 49.262 70 H GLU 10 H GLU 10 51.813 57.543 45.579 71 HA GLU 10 HA GLU 10 50.486 55.753 47.361 72 1HB GLU 10 2HB GLU 10 50.907 55.802 44.566 73 2HB GLU 10 1HB GLU 10 51.648 54.235 45.142 74 1HG GLU 10 2HG GLU 10 49.534 53.751 46.426 75 2HG GLU 10 1HG GLU 10 48.890 55.330 45.698 76 H MET 11 H MET 11 51.478 55.281 49.001 77 HA MET 11 HA MET 11 54.234 54.538 49.579 78 1HB MET 11 2HB MET 11 51.448 53.813 50.786 79 2HB MET 11 1HB MET 11 52.943 52.952 51.296 80 1HG MET 11 2HG MET 11 53.744 54.786 52.504 81 2HG MET 11 1HG MET 11 53.426 55.825 51.120 82 1HE MET 11 1HE MET 11 52.718 54.614 54.404 83 2HE MET 11 2HE MET 11 51.183 55.340 55.054 84 3HE MET 11 3HE MET 11 52.555 56.380 54.735 85 H GLU 12 H GLU 12 55.448 53.066 49.086 86 HA GLU 12 HA GLU 12 54.486 50.721 47.504 87 1HB GLU 12 2HB GLU 12 56.308 52.142 46.552 88 2HB GLU 12 1HB GLU 12 57.347 51.736 47.972 89 1HG GLU 12 2HG GLU 12 57.337 49.312 47.336 90 2HG GLU 12 1HG GLU 12 55.967 49.691 46.140 91 H SER 13 H SER 13 56.943 51.424 50.120 92 HA SER 13 HA SER 13 55.768 49.356 51.888 93 1HB SER 13 2HB SER 13 57.018 47.477 51.353 94 2HB SER 13 1HB SER 13 57.236 48.321 49.697 95 HG SER 13 HG SER 13 59.172 47.693 50.712 96 H ASN 14 H ASN 14 57.494 48.513 53.219 97 HA ASN 14 HA ASN 14 59.439 50.582 54.100 98 1HB ASN 14 2HB ASN 14 58.653 49.261 56.507 99 2HB ASN 14 1HB ASN 14 57.885 50.849 55.891 100 1HD2 ASN 14 2HD2 ASN 14 55.939 50.767 55.322 101 2HD2 ASN 14 1HD2 ASN 14 54.877 49.232 55.112 102 H GLU 15 H GLU 15 60.918 49.875 55.782 103 HA GLU 15 HA GLU 15 61.816 47.198 54.742 104 1HB GLU 15 2HB GLU 15 63.110 49.609 56.136 105 2HB GLU 15 1HB GLU 15 63.960 48.030 56.320 106 1HG GLU 15 2HG GLU 15 62.923 48.503 53.558 107 2HG GLU 15 1HG GLU 15 64.337 49.581 54.123 108 H ASN 16 H ASN 16 62.270 48.694 57.949 109 HA ASN 16 HA ASN 16 61.714 46.081 59.216 110 1HB ASN 16 2HB ASN 16 62.771 48.755 60.077 111 2HB ASN 16 1HB ASN 16 61.702 47.919 61.354 112 1HD2 ASN 16 1HD2 ASN 16 64.420 48.515 61.340 113 2HD2 ASN 16 2HD2 ASN 16 65.301 46.871 61.692 114 H PHE 17 H PHE 17 59.822 46.036 58.121 115 HA PHE 17 HA PHE 17 57.440 47.572 58.487 116 1HB PHE 17 2HB PHE 17 56.597 44.823 58.687 117 2HB PHE 17 1HB PHE 17 56.480 46.015 57.298 118 HD1 PHE 17 HD1 PHE 17 57.884 45.678 55.419 119 HD2 PHE 17 HD2 PHE 17 58.700 43.526 58.974 120 HE1 PHE 17 HE1 PHE 17 59.600 44.322 54.242 121 HE2 PHE 17 HE2 PHE 17 60.414 42.165 57.807 122 HZ PHE 17 HZ PHE 17 60.938 42.487 55.454 123 H GLU 18 H GLU 18 59.012 45.252 60.639 124 HA GLU 18 HA GLU 18 56.757 45.128 62.623 125 1HB GLU 18 2HB GLU 18 59.866 44.801 62.812 126 2HB GLU 18 1HB GLU 18 58.606 44.202 63.977 127 1HG GLU 18 2HG GLU 18 57.743 42.622 62.254 128 2HG GLU 18 1HG GLU 18 59.092 43.202 61.069 129 H GLY 19 H GLY 19 59.484 47.316 62.032 130 1HA GLY 19 1HA GLY 19 59.644 48.121 64.808 131 2HA GLY 19 2HA GLY 19 60.187 49.177 63.419 132 H TYR 20 H TYR 20 57.274 49.010 62.285 133 HA TYR 20 HA TYR 20 56.338 51.383 63.825 134 1HB TYR 20 2HB TYR 20 54.639 49.761 61.815 135 2HB TYR 20 1HB TYR 20 54.664 51.550 62.164 136 HD1 TYR 20 HD1 TYR 20 57.161 52.443 62.028 137 HD2 TYR 20 HD2 TYR 20 55.465 49.361 59.688 138 HE1 TYR 20 HE1 TYR 20 58.853 52.975 60.207 139 HE2 TYR 20 HE2 TYR 20 57.041 49.803 57.879 140 HH TYR 20 HH TYR 20 59.747 51.132 58.091 141 H MET 21 H MET 21 55.399 48.034 63.238 142 HA MET 21 HA MET 21 53.064 48.009 64.905 143 1HB MET 21 2HB MET 21 53.717 46.431 63.040 144 2HB MET 21 1HB MET 21 55.238 46.056 63.854 145 1HG MET 21 2HG MET 21 53.073 45.400 65.737 146 2HG MET 21 1HG MET 21 52.478 44.841 64.194 147 1HE MET 21 1HE MET 21 54.781 44.947 66.922 148 2HE MET 21 2HE MET 21 56.441 44.396 66.292 149 3HE MET 21 3HE MET 21 55.458 43.285 67.135 150 H LYS 22 H LYS 22 56.352 47.876 65.577 151 HA LYS 22 HA LYS 22 56.175 46.712 68.260 152 1HB LYS 22 2HB LYS 22 58.235 46.321 66.933 153 2HB LYS 22 1HB LYS 22 58.374 48.104 66.545 154 1HG LYS 22 2HG LYS 22 59.991 47.858 68.122 155 2HG LYS 22 1HG LYS 22 58.616 48.462 69.129 156 1HD LYS 22 2HD LYS 22 58.154 45.666 68.993 157 2HD LYS 22 1HD LYS 22 59.996 45.754 69.094 158 1HE LYS 22 2HE LYS 22 59.663 47.239 71.157 159 2HE LYS 22 1HE LYS 22 57.863 46.943 70.958 160 1HZ LYS 22 1HZ LYS 22 59.642 45.452 72.383 161 2HZ LYS 22 2HZ LYS 22 59.311 44.474 71.054 162 3HZ LYS 22 3HZ LYS 22 58.063 45.030 71.970 163 H ALA 23 H ALA 23 56.651 49.844 66.809 164 HA ALA 23 HA ALA 23 56.862 51.234 69.362 165 1HB ALA 23 1HB ALA 23 57.502 52.781 67.879 166 2HB ALA 23 2HB ALA 23 55.734 53.157 67.689 167 3HB ALA 23 3HB ALA 23 56.545 52.033 66.494 168 H LEU 24 H LEU 24 54.418 50.133 67.403 169 HA LEU 24 HA LEU 24 52.130 51.266 68.999 170 1HB LEU 24 2HB LEU 24 52.606 50.900 66.185 171 2HB LEU 24 1HB LEU 24 51.844 49.328 66.651 172 HG LEU 24 HG LEU 24 49.703 50.440 67.155 173 1HD1 LEU 24 1HD1 LEU 24 49.732 53.081 67.207 174 2HD1 LEU 24 2HD1 LEU 24 51.485 52.895 67.526 175 3HD1 LEU 24 3HD1 LEU 24 50.267 52.133 68.672 176 1HD2 LEU 24 1HD2 LEU 24 50.948 50.849 64.654 177 2HD2 LEU 24 2HD2 LEU 24 50.299 52.468 65.124 178 3HD2 LEU 24 3HD2 LEU 24 49.221 51.026 65.043 179 H ASP 25 H ASP 25 50.384 49.412 68.600 180 HA ASP 25 HA ASP 25 51.362 46.673 69.314 181 1HB ASP 25 2HB ASP 25 49.784 48.468 71.325 182 2HB ASP 25 1HB ASP 25 50.215 46.693 71.559 183 H ILE 26 H ILE 26 50.130 47.941 67.200 184 HA ILE 26 HA ILE 26 47.254 47.679 67.383 185 HB ILE 26 HB ILE 26 48.423 49.323 65.846 186 1HG1 ILE 26 2HG1 ILE 26 47.177 47.378 63.867 187 2HG1 ILE 26 1HG1 ILE 26 46.237 48.004 65.286 188 1HG2 ILE 26 1HG2 ILE 26 50.310 48.559 64.609 189 2HG2 ILE 26 2HG2 ILE 26 49.182 47.446 63.754 190 3HG2 ILE 26 3HG2 ILE 26 49.991 46.926 65.321 191 1HD1 ILE 26 1HD1 ILE 26 47.712 49.749 63.159 192 2HD1 ILE 26 2HD1 ILE 26 47.001 50.372 64.709 193 3HD1 ILE 26 3HD1 ILE 26 45.948 49.656 63.469 194 H ASP 27 H ASP 27 49.855 45.683 66.839 195 HA ASP 27 HA ASP 27 49.684 43.393 67.237 196 1HB ASP 27 2HB ASP 27 47.100 43.428 67.093 197 2HB ASP 27 1HB ASP 27 47.332 43.207 65.265 198 H PHE 28 H PHE 28 50.568 41.723 66.146 199 HA PHE 28 HA PHE 28 52.219 42.518 63.977 200 1HB PHE 28 2HB PHE 28 52.485 39.778 63.911 201 2HB PHE 28 1HB PHE 28 53.157 40.835 65.250 202 HD1 PHE 28 HD1 PHE 28 50.348 38.551 64.252 203 HD2 PHE 28 HD2 PHE 28 52.357 40.562 67.401 204 HE1 PHE 28 HE1 PHE 28 49.014 37.226 65.969 205 HE2 PHE 28 HE2 PHE 28 51.088 39.338 69.118 206 HZ PHE 28 HZ PHE 28 49.354 37.597 68.380 207 H ALA 29 H ALA 29 49.082 41.308 63.952 208 HA ALA 29 HA ALA 29 49.173 40.071 61.240 209 1HB ALA 29 1HB ALA 29 46.748 39.957 61.475 210 2HB ALA 29 2HB ALA 29 46.776 41.343 62.650 211 3HB ALA 29 3HB ALA 29 47.411 39.697 63.169 212 H THR 30 H THR 30 48.853 43.144 62.731 213 HA THR 30 HA THR 30 47.617 44.559 60.536 214 HB THR 30 HB THR 30 49.458 45.802 62.641 215 HG1 THR 30 1HG THR 30 46.920 44.644 62.687 216 1HG2 THR 30 1HG2 THR 30 48.067 46.925 60.499 217 2HG2 THR 30 2HG2 THR 30 48.239 47.805 62.095 218 3HG2 THR 30 3HG2 THR 30 46.727 46.793 61.724 219 H ARG 31 H ARG 31 51.005 44.518 61.524 220 HA ARG 31 HA ARG 31 52.001 46.044 59.304 221 1HB ARG 31 2HB ARG 31 53.827 46.151 60.638 222 2HB ARG 31 1HB ARG 31 52.979 45.071 61.793 223 1HG ARG 31 2HG ARG 31 54.574 43.825 59.426 224 2HG ARG 31 1HG ARG 31 55.339 44.347 60.960 225 1HD ARG 31 2HD ARG 31 53.235 42.922 61.995 226 2HD ARG 31 1HD ARG 31 53.405 42.085 60.398 227 HE ARG 31 HE ARG 31 55.598 42.405 62.365 228 1HH1 ARG 31 1HH1 ARG 31 54.065 40.501 59.591 229 2HH1 ARG 31 2HH1 ARG 31 55.325 39.279 59.738 230 1HH2 ARG 31 1HH2 ARG 31 57.123 40.652 62.350 231 2HH2 ARG 31 2HH2 ARG 31 56.939 39.344 61.168 232 H LYS 32 H LYS 32 51.051 42.690 59.561 233 HA LYS 32 HA LYS 32 52.853 41.780 57.502 234 1HB LYS 32 2HB LYS 32 51.608 40.441 59.297 235 2HB LYS 32 1HB LYS 32 50.111 40.654 58.249 236 1HG LYS 32 2HG LYS 32 52.783 39.493 57.215 237 2HG LYS 32 1HG LYS 32 51.530 38.438 57.888 238 1HD LYS 32 2HD LYS 32 50.059 40.173 56.055 239 2HD LYS 32 1HD LYS 32 51.545 39.521 55.258 240 1HE LYS 32 2HE LYS 32 50.823 37.368 55.270 241 2HE LYS 32 1HE LYS 32 49.921 37.531 56.873 242 1HZ LYS 32 1HZ LYS 32 48.338 39.003 55.697 243 2HZ LYS 32 2HZ LYS 32 48.257 37.439 55.218 244 3HZ LYS 32 3HZ LYS 32 49.057 38.521 54.260 245 H ILE 33 H ILE 33 49.574 43.108 57.794 246 HA ILE 33 HA ILE 33 49.152 42.557 54.919 247 HB ILE 33 HB ILE 33 47.347 44.644 56.202 248 1HG1 ILE 33 2HG1 ILE 33 47.390 43.086 58.045 249 2HG1 ILE 33 1HG1 ILE 33 45.883 42.803 57.011 250 1HG2 ILE 33 1HG2 ILE 33 47.026 42.167 54.387 251 2HG2 ILE 33 2HG2 ILE 33 46.998 43.914 53.894 252 3HG2 ILE 33 3HG2 ILE 33 45.656 43.189 54.877 253 1HD1 ILE 33 1HD1 ILE 33 47.456 40.685 57.855 254 2HD1 ILE 33 2HD1 ILE 33 48.403 41.165 56.369 255 3HD1 ILE 33 3HD1 ILE 33 46.651 40.699 56.260 256 H ALA 34 H ALA 34 50.260 45.116 56.920 257 HA ALA 34 HA ALA 34 50.122 47.188 54.803 258 1HB ALA 34 1HB ALA 34 50.517 47.255 57.634 259 2HB ALA 34 2HB ALA 34 50.892 48.617 56.464 260 3HB ALA 34 3HB ALA 34 52.189 47.492 57.026 261 H VAL 35 H VAL 35 52.078 44.735 55.881 262 HA VAL 35 HA VAL 35 54.676 45.491 54.996 263 HB VAL 35 HB VAL 35 53.412 43.054 56.011 264 1HG1 VAL 35 1HG1 VAL 35 53.916 42.078 53.761 265 2HG1 VAL 35 2HG1 VAL 35 55.095 41.410 54.939 266 3HG1 VAL 35 3HG1 VAL 35 55.592 42.746 53.810 267 1HG2 VAL 35 1HG2 VAL 35 55.464 42.821 57.163 268 2HG2 VAL 35 2HG2 VAL 35 55.204 44.596 56.964 269 3HG2 VAL 35 3HG2 VAL 35 56.349 43.732 55.810 270 H ARG 36 H ARG 36 52.048 44.063 53.371 271 HA ARG 36 HA ARG 36 53.661 43.941 50.744 272 1HB ARG 36 2HB ARG 36 51.725 42.321 50.029 273 2HB ARG 36 1HB ARG 36 53.185 41.742 50.936 274 1HG ARG 36 2HG ARG 36 51.285 40.698 52.047 275 2HG ARG 36 1HG ARG 36 51.788 42.087 53.134 276 1HD ARG 36 2HD ARG 36 49.729 42.821 53.011 277 2HD ARG 36 1HD ARG 36 49.926 43.139 51.243 278 HE ARG 36 HE ARG 36 49.034 40.495 52.362 279 1HH1 ARG 36 2HH1 ARG 36 48.612 43.128 49.868 280 2HH1 ARG 36 1HH1 ARG 36 47.368 42.188 49.094 281 1HH2 ARG 36 1HH2 ARG 36 47.368 39.423 51.174 282 2HH2 ARG 36 2HH2 ARG 36 46.634 40.170 49.754 283 H LEU 37 H LEU 37 50.732 45.136 52.327 284 HA LEU 37 HA LEU 37 49.746 45.703 49.579 285 1HB LEU 37 2HB LEU 37 47.601 45.989 50.504 286 2HB LEU 37 1HB LEU 37 48.352 44.927 51.763 287 HG LEU 37 HG LEU 37 49.169 47.000 52.983 288 1HD1 LEU 37 1HD1 LEU 37 48.765 49.094 51.898 289 2HD1 LEU 37 2HD1 LEU 37 47.070 48.795 52.443 290 3HD1 LEU 37 3HD1 LEU 37 47.570 48.247 50.789 291 1HD2 LEU 37 1HD2 LEU 37 46.636 45.530 52.841 292 2HD2 LEU 37 2HD2 LEU 37 46.245 47.244 53.187 293 3HD2 LEU 37 3HD2 LEU 37 47.413 46.336 54.266 294 H THR 38 H THR 38 49.695 47.421 48.650 295 HA THR 38 HA THR 38 51.276 49.744 49.763 296 HB THR 38 HB THR 38 51.378 50.284 47.289 297 HG1 THR 38 1HG THR 38 50.431 47.713 46.764 298 1HG2 THR 38 1HG2 THR 38 52.527 47.896 48.681 299 2HG2 THR 38 2HG2 THR 38 53.397 48.941 47.463 300 3HG2 THR 38 3HG2 THR 38 52.382 47.563 46.891 301 H GLN 39 H GLN 39 50.062 51.206 50.869 302 HA GLN 39 HA GLN 39 47.485 51.845 49.564 303 1HB GLN 39 2HB GLN 39 47.049 52.964 51.676 304 2HB GLN 39 1HB GLN 39 47.839 51.345 51.991 305 1HG GLN 39 2HG GLN 39 49.732 53.615 51.614 306 2HG GLN 39 1HG GLN 39 48.617 53.795 53.073 307 1HE2 GLN 39 1HE2 GLN 39 50.081 53.584 54.554 308 2HE2 GLN 39 2HE2 GLN 39 50.869 52.085 54.999 309 H THR 40 H THR 40 47.019 54.314 50.217 310 HA THR 40 HA THR 40 48.862 55.904 48.505 311 HB THR 40 HB THR 40 45.970 56.738 48.955 312 HG1 THR 40 1HG THR 40 46.657 54.801 47.026 313 1HG2 THR 40 1HG2 THR 40 47.019 58.234 47.445 314 2HG2 THR 40 2HG2 THR 40 46.521 56.966 46.260 315 3HG2 THR 40 3HG2 THR 40 48.243 57.003 46.895 316 H LYS 41 H LYS 41 48.604 58.249 48.748 317 HA LYS 41 HA LYS 41 47.855 59.289 51.392 318 1HB LYS 41 2HB LYS 41 50.411 57.797 51.204 319 2HB LYS 41 1HB LYS 41 50.832 59.543 51.125 320 1HG LYS 41 2HG LYS 41 48.812 58.471 53.196 321 2HG LYS 41 1HG LYS 41 50.559 58.192 53.473 322 1HD LYS 41 2HD LYS 41 49.017 60.898 53.187 323 2HD LYS 41 1HD LYS 41 50.030 60.294 54.594 324 1HE LYS 41 2HE LYS 41 50.917 61.424 51.877 325 2HE LYS 41 1HE LYS 41 51.338 61.972 53.562 326 1HZ LYS 41 1HZ LYS 41 52.227 59.351 53.324 327 2HZ LYS 41 2HZ LYS 41 53.116 60.767 53.184 328 3HZ LYS 41 3HZ LYS 41 52.545 60.021 51.822 329 H ILE 42 H ILE 42 48.090 61.442 51.584 330 HA ILE 42 HA ILE 42 49.672 62.984 49.597 331 HB ILE 42 HB ILE 42 48.024 62.660 47.957 332 1HG1 ILE 42 2HG1 ILE 42 46.826 65.037 49.489 333 2HG1 ILE 42 1HG1 ILE 42 48.438 65.125 48.651 334 1HG2 ILE 42 1HG2 ILE 42 46.118 61.553 48.811 335 2HG2 ILE 42 2HG2 ILE 42 45.460 63.217 48.820 336 3HG2 ILE 42 3HG2 ILE 42 46.162 62.427 50.330 337 1HD1 ILE 42 1HD1 ILE 42 46.067 63.979 47.132 338 2HD1 ILE 42 2HD1 ILE 42 47.461 64.924 46.478 339 3HD1 ILE 42 3HD1 ILE 42 46.100 65.779 47.300 340 H ILE 43 H ILE 43 50.510 64.381 50.694 341 HA ILE 43 HA ILE 43 49.315 65.620 53.135 342 HB ILE 43 HB ILE 43 51.809 66.054 51.461 343 1HG1 ILE 43 2HG1 ILE 43 51.660 64.183 53.936 344 2HG1 ILE 43 1HG1 ILE 43 51.392 63.518 52.266 345 1HG2 ILE 43 1HG2 ILE 43 51.102 66.450 54.447 346 2HG2 ILE 43 2HG2 ILE 43 51.640 67.730 53.216 347 3HG2 ILE 43 3HG2 ILE 43 52.807 66.510 53.830 348 1HD1 ILE 43 1HD1 ILE 43 53.732 65.265 52.366 349 2HD1 ILE 43 2HD1 ILE 43 53.689 63.457 52.049 350 3HD1 ILE 43 3HD1 ILE 43 53.890 64.072 53.707 351 H VAL 44 H VAL 44 49.476 67.895 53.290 352 HA VAL 44 HA VAL 44 49.941 69.650 50.972 353 HB VAL 44 HB VAL 44 47.765 68.587 50.298 354 1HG1 VAL 44 1HG1 VAL 44 46.120 70.153 52.243 355 2HG1 VAL 44 2HG1 VAL 44 47.002 68.686 52.876 356 3HG1 VAL 44 3HG1 VAL 44 45.885 68.503 51.507 357 1HG2 VAL 44 1HG2 VAL 44 46.558 71.268 50.585 358 2HG2 VAL 44 2HG2 VAL 44 47.500 70.565 49.212 359 3HG2 VAL 44 3HG2 VAL 44 48.369 71.498 50.510 360 H GLN 45 H GLN 45 50.557 71.432 51.806 361 HA GLN 45 HA GLN 45 49.439 72.358 54.464 362 1HB GLN 45 2HB GLN 45 51.639 73.074 55.019 363 2HB GLN 45 1HB GLN 45 51.867 71.347 54.404 364 1HG GLN 45 2HG GLN 45 52.378 72.295 52.143 365 2HG GLN 45 1HG GLN 45 52.294 73.985 52.949 366 1HE2 GLN 45 2HE2 GLN 45 54.439 73.176 51.680 367 2HE2 GLN 45 1HE2 GLN 45 55.812 72.720 52.913 368 H ASP 46 H ASP 46 49.838 74.278 55.126 369 HA ASP 46 HA ASP 46 49.420 76.326 52.937 370 1HB ASP 46 2HB ASP 46 47.515 75.592 54.652 371 2HB ASP 46 1HB ASP 46 48.435 76.755 55.771 372 H GLY 47 H GLY 47 51.471 75.356 55.267 373 1HA GLY 47 1HA GLY 47 53.543 77.033 55.140 374 2HA GLY 47 2HA GLY 47 52.419 78.178 56.051 375 H ASP 48 H ASP 48 51.258 76.678 57.760 376 HA ASP 48 HA ASP 48 53.219 75.047 59.319 377 1HB ASP 48 2HB ASP 48 52.018 77.727 60.335 378 2HB ASP 48 1HB ASP 48 52.948 76.520 61.398 379 H ASN 49 H ASN 49 50.806 74.790 57.943 380 HA ASN 49 HA ASN 49 49.209 73.173 59.857 381 1HB ASN 49 2HB ASN 49 47.979 75.383 60.058 382 2HB ASN 49 1HB ASN 49 48.112 75.575 58.244 383 1HD2 ASN 49 2HD2 ASN 49 46.756 74.649 57.059 384 2HD2 ASN 49 1HD2 ASN 49 45.309 73.600 57.676 385 H PHE 50 H PHE 50 49.758 71.473 58.727 386 HA PHE 50 HA PHE 50 48.785 71.116 55.897 387 1HB PHE 50 2HB PHE 50 50.650 69.752 55.380 388 2HB PHE 50 1HB PHE 50 51.312 71.209 56.243 389 HD1 PHE 50 HD1 PHE 50 50.190 67.708 56.849 390 HD2 PHE 50 HD2 PHE 50 52.551 71.077 58.159 391 HE1 PHE 50 HE1 PHE 50 51.218 66.328 58.665 392 HE2 PHE 50 HE2 PHE 50 53.572 69.712 59.959 393 HZ PHE 50 HZ PHE 50 52.874 67.360 60.170 394 H LYS 51 H LYS 51 48.240 69.103 55.065 395 HA LYS 51 HA LYS 51 47.490 67.261 57.272 396 1HB LYS 51 2HB LYS 51 45.323 68.035 57.387 397 2HB LYS 51 1HB LYS 51 45.725 69.303 56.130 398 1HG LYS 51 2HG LYS 51 43.827 68.074 55.233 399 2HG LYS 51 1HG LYS 51 45.229 67.306 54.397 400 1HD LYS 51 2HD LYS 51 45.136 65.486 55.781 401 2HD LYS 51 1HD LYS 51 44.366 66.391 57.177 402 1HE LYS 51 2HE LYS 51 42.717 66.275 54.731 403 2HE LYS 51 1HE LYS 51 43.027 64.613 55.521 404 1HZ LYS 51 1HZ LYS 51 42.200 66.996 57.081 405 2HZ LYS 51 2HZ LYS 51 41.869 65.409 57.428 406 3HZ LYS 51 3HZ LYS 51 41.021 66.195 56.218 407 H THR 52 H THR 52 47.349 65.327 56.957 408 HA THR 52 HA THR 52 47.353 64.220 54.106 409 HB THR 52 HB THR 52 49.635 64.141 54.404 410 HG1 THR 52 1HG THR 52 49.329 62.196 56.303 411 1HG2 THR 52 1HG2 THR 52 49.787 65.524 56.586 412 2HG2 THR 52 2HG2 THR 52 50.699 63.967 56.843 413 3HG2 THR 52 3HG2 THR 52 49.034 64.197 57.501 414 H LYS 53 H LYS 53 46.903 61.978 53.979 415 HA LYS 53 HA LYS 53 46.338 60.482 56.477 416 1HB LYS 53 2HB LYS 53 44.069 60.058 54.634 417 2HB LYS 53 1HB LYS 53 44.091 60.472 56.402 418 1HG LYS 53 2HG LYS 53 42.804 62.125 55.311 419 2HG LYS 53 1HG LYS 53 44.473 62.902 55.644 420 1HD LYS 53 2HD LYS 53 44.473 63.568 53.515 421 2HD LYS 53 1HD LYS 53 44.846 61.796 53.235 422 1HE LYS 53 2HE LYS 53 42.927 62.028 51.776 423 2HE LYS 53 1HE LYS 53 42.030 61.854 53.359 424 1HZ LYS 53 1HZ LYS 53 42.576 64.151 51.669 425 2HZ LYS 53 2HZ LYS 53 42.647 64.492 53.292 426 3HZ LYS 53 3HZ LYS 53 41.247 63.869 52.673 427 H THR 54 H THR 54 45.749 58.405 56.030 428 HA THR 54 HA THR 54 47.262 57.367 53.676 429 HB THR 54 HB THR 54 46.547 55.202 55.428 430 HG1 THR 54 1HG THR 54 47.866 56.428 57.198 431 1HG2 THR 54 1HG2 THR 54 49.170 56.849 55.175 432 2HG2 THR 54 2HG2 THR 54 48.721 55.430 54.072 433 3HG2 THR 54 3HG2 THR 54 49.157 55.167 55.805 434 H ASN 55 H ASN 55 46.534 55.109 53.003 435 HA ASN 55 HA ASN 55 43.544 54.925 52.816 436 1HB ASN 55 2HB ASN 55 45.345 55.323 50.409 437 2HB ASN 55 1HB ASN 55 43.581 54.700 50.329 438 1HD2 ASN 55 2HD2 ASN 55 42.122 56.010 51.676 439 2HD2 ASN 55 1HD2 ASN 55 42.282 57.871 51.464 440 H SER 56 H SER 56 45.391 53.422 54.122 441 HA SER 56 HA SER 56 46.076 50.850 52.844 442 1HB SER 56 2HB SER 56 47.169 51.794 55.007 443 2HB SER 56 1HB SER 56 45.605 51.276 55.845 444 HG SER 56 HG SER 56 46.095 49.294 55.505 445 H THR 57 H THR 57 45.159 49.083 52.764 446 HA THR 57 HA THR 57 42.203 48.977 52.798 447 HB THR 57 HB THR 57 43.599 46.380 53.030 448 HG1 THR 57 1HG THR 57 44.423 47.948 50.840 449 1HG2 THR 57 1HG2 THR 57 41.421 46.629 51.930 450 2HG2 THR 57 2HG2 THR 57 42.576 46.183 50.636 451 3HG2 THR 57 3HG2 THR 57 42.035 47.893 50.755 452 H PHE 58 H PHE 58 44.796 48.037 54.837 453 HA PHE 58 HA PHE 58 43.073 46.797 56.867 454 1HB PHE 58 2HB PHE 58 45.892 46.851 56.456 455 2HB PHE 58 1HB PHE 58 45.634 47.874 57.925 456 HD1 PHE 58 HD1 PHE 58 43.959 44.759 56.628 457 HD2 PHE 58 HD2 PHE 58 45.991 46.622 59.895 458 HE1 PHE 58 HE1 PHE 58 43.606 42.720 57.963 459 HE2 PHE 58 HE2 PHE 58 45.652 44.619 61.205 460 HZ PHE 58 HZ PHE 58 44.488 42.655 60.345 461 H ARG 59 H ARG 59 45.140 49.717 57.352 462 HA ARG 59 HA ARG 59 42.685 50.811 58.876 463 1HB ARG 59 2HB ARG 59 44.812 49.614 60.220 464 2HB ARG 59 1HB ARG 59 45.265 51.410 60.181 465 1HG ARG 59 2HG ARG 59 43.901 50.867 62.141 466 2HG ARG 59 1HG ARG 59 43.062 51.985 60.931 467 1HD ARG 59 2HD ARG 59 42.453 49.077 60.480 468 2HD ARG 59 1HD ARG 59 42.138 49.589 62.145 469 HE ARG 59 HE ARG 59 41.003 51.165 59.808 470 1HH1 ARG 59 1HH1 ARG 59 40.476 49.534 63.137 471 2HH1 ARG 59 2HH1 ARG 59 38.871 50.184 63.149 472 1HH2 ARG 59 1HH2 ARG 59 38.927 51.843 60.070 473 2HH2 ARG 59 2HH2 ARG 59 38.009 51.413 61.502 474 H ASN 60 H ASN 60 42.189 52.665 58.373 475 HA ASN 60 HA ASN 60 44.089 54.345 56.869 476 1HB ASN 60 2HB ASN 60 42.096 56.048 56.980 477 2HB ASN 60 1HB ASN 60 41.472 54.327 56.486 478 1HD2 ASN 60 1HD2 ASN 60 40.212 56.686 57.623 479 2HD2 ASN 60 2HD2 ASN 60 39.520 56.183 59.159 480 H TYR 61 H TYR 61 44.625 56.379 57.445 481 HA TYR 61 HA TYR 61 44.468 57.030 60.305 482 1HB TYR 61 2HB TYR 61 46.351 55.264 60.026 483 2HB TYR 61 1HB TYR 61 47.267 56.488 59.060 484 HD1 TYR 61 HD1 TYR 61 45.183 56.673 62.239 485 HD2 TYR 61 HD2 TYR 61 48.944 57.504 60.257 486 HE1 TYR 61 HE1 TYR 61 45.994 57.756 64.246 487 HE2 TYR 61 HE2 TYR 61 49.764 58.597 62.336 488 HH TYR 61 HH TYR 61 49.195 59.262 64.388 489 H ASP 62 H ASP 62 45.021 59.073 60.791 490 HA ASP 62 HA ASP 62 45.896 60.845 58.513 491 1HB ASP 62 2HB ASP 62 44.281 62.455 58.894 492 2HB ASP 62 1HB ASP 62 43.319 60.847 59.231 493 H LEU 63 H LEU 63 47.019 62.736 59.061 494 HA LEU 63 HA LEU 63 48.183 62.570 61.836 495 1HB LEU 63 2HB LEU 63 49.474 62.544 59.252 496 2HB LEU 63 1HB LEU 63 49.946 64.080 60.166 497 HG LEU 63 HG LEU 63 51.548 62.186 60.732 498 1HD1 LEU 63 1HD1 LEU 63 49.705 62.775 63.150 499 2HD1 LEU 63 2HD1 LEU 63 50.761 64.011 62.383 500 3HD1 LEU 63 3HD1 LEU 63 51.503 62.564 63.122 501 1HD2 LEU 63 1HD2 LEU 63 49.059 60.750 60.637 502 2HD2 LEU 63 2HD2 LEU 63 49.523 60.745 62.350 503 3HD2 LEU 63 3HD2 LEU 63 50.706 60.078 61.115 504 H ASP 64 H ASP 64 46.614 64.644 59.560 505 HA ASP 64 HA ASP 64 46.697 67.079 59.549 506 1HB ASP 64 2HB ASP 64 44.584 65.995 60.131 507 2HB ASP 64 1HB ASP 64 45.079 66.053 61.960 508 H PHE 65 H PHE 65 48.815 67.755 60.074 509 HA PHE 65 HA PHE 65 48.861 68.781 62.899 510 1HB PHE 65 2HB PHE 65 50.123 66.533 62.485 511 2HB PHE 65 1HB PHE 65 51.161 67.522 61.358 512 HD1 PHE 65 HD1 PHE 65 49.803 68.771 64.588 513 HD2 PHE 65 HD2 PHE 65 53.140 67.181 62.312 514 HE1 PHE 65 HE1 PHE 65 51.323 69.444 66.369 515 HE2 PHE 65 HE2 PHE 65 54.679 67.849 64.104 516 HZ PHE 65 HZ PHE 65 53.761 68.995 66.156 517 H THR 66 H THR 66 50.113 70.448 63.244 518 HA THR 66 HA THR 66 50.535 72.447 61.093 519 HB THR 66 HB THR 66 51.411 73.598 63.370 520 HG1 THR 66 1HG THR 66 50.527 72.649 65.072 521 1HG2 THR 66 1HG2 THR 66 48.382 72.711 63.166 522 2HG2 THR 66 2HG2 THR 66 49.064 73.974 62.020 523 3HG2 THR 66 3HG2 THR 66 49.028 74.290 63.781 524 H VAL 67 H VAL 67 52.596 73.802 61.525 525 HA VAL 67 HA VAL 67 54.849 71.731 61.697 526 HB VAL 67 HB VAL 67 54.833 74.374 60.203 527 1HG1 VAL 67 1HG1 VAL 67 56.608 71.937 59.747 528 2HG1 VAL 67 2HG1 VAL 67 57.067 73.068 61.097 529 3HG1 VAL 67 3HG1 VAL 67 56.987 73.726 59.383 530 1HG2 VAL 67 1HG2 VAL 67 53.568 73.194 58.651 531 2HG2 VAL 67 2HG2 VAL 67 53.871 71.637 59.559 532 3HG2 VAL 67 3HG2 VAL 67 55.059 72.306 58.324 533 H GLY 68 H GLY 68 55.569 71.808 63.667 534 1HA GLY 68 1HA GLY 68 57.196 72.884 65.041 535 2HA GLY 68 2HA GLY 68 56.678 74.517 64.375 536 H VAL 69 H VAL 69 53.877 73.093 64.868 537 HA VAL 69 HA VAL 69 53.667 74.008 67.757 538 HB VAL 69 HB VAL 69 51.889 74.089 65.203 539 1HG1 VAL 69 1HG1 VAL 69 50.896 74.743 68.014 540 2HG1 VAL 69 2HG1 VAL 69 50.351 73.343 67.003 541 3HG1 VAL 69 3HG1 VAL 69 50.030 75.010 66.414 542 1HG2 VAL 69 1HG2 VAL 69 52.649 76.426 67.083 543 2HG2 VAL 69 2HG2 VAL 69 51.694 76.523 65.605 544 3HG2 VAL 69 3HG2 VAL 69 53.471 76.028 65.497 545 H GLU 70 H GLU 70 53.519 72.451 68.986 546 HA GLU 70 HA GLU 70 52.963 69.841 68.076 547 1HB GLU 70 2HB GLU 70 52.886 69.152 70.430 548 2HB GLU 70 1HB GLU 70 54.100 70.536 70.260 549 1HG GLU 70 2HG GLU 70 52.997 71.248 72.102 550 2HG GLU 70 1HG GLU 70 51.866 71.992 70.804 551 H PHE 71 H PHE 71 51.478 68.443 68.559 552 HA PHE 71 HA PHE 71 48.680 69.451 68.834 553 1HB PHE 71 2HB PHE 71 49.233 69.598 66.441 554 2HB PHE 71 1HB PHE 71 49.559 67.791 66.392 555 HD1 PHE 71 HD1 PHE 71 47.783 66.798 65.189 556 HD2 PHE 71 HD2 PHE 71 46.886 69.926 67.916 557 HE1 PHE 71 HE1 PHE 71 45.415 66.457 64.741 558 HE2 PHE 71 HE2 PHE 71 44.463 69.628 67.509 559 HZ PHE 71 HZ PHE 71 43.731 67.851 65.882 560 H ASP 72 H ASP 72 48.552 68.070 70.764 561 HA ASP 72 HA ASP 72 49.168 65.313 70.848 562 1HB ASP 72 2HB ASP 72 46.932 65.295 72.377 563 2HB ASP 72 1HB ASP 72 48.439 66.148 73.008 564 H GLU 73 H GLU 73 48.687 64.173 69.088 565 HA GLU 73 HA GLU 73 45.924 63.963 68.013 566 1HB GLU 73 2HB GLU 73 48.698 63.406 67.269 567 2HB GLU 73 1HB GLU 73 47.624 62.046 66.796 568 1HG GLU 73 2HG GLU 73 46.851 65.018 66.397 569 2HG GLU 73 1HG GLU 73 47.708 64.006 65.077 570 H HIS 74 H HIS 74 45.600 61.561 67.246 571 HA HIS 74 HA HIS 74 46.024 59.640 69.453 572 1HB HIS 74 2HB HIS 74 43.690 61.349 69.410 573 2HB HIS 74 1HB HIS 74 43.166 59.699 68.902 574 HD1 HIS 74 HD1 HIS 74 43.831 61.627 71.918 575 HD2 HIS 74 HD2 HIS 74 44.407 57.636 70.733 576 HE1 HIS 74 HE1 HIS 74 44.133 60.209 74.051 577 HE2 HIS 74 HE2 HIS 74 44.465 57.837 73.341 578 H THR 75 H THR 75 46.051 57.643 68.872 579 HA THR 75 HA THR 75 45.491 56.899 66.085 580 HB THR 75 HB THR 75 46.627 54.786 66.775 581 HG1 THR 75 1HG THR 75 47.190 56.107 69.215 582 1HG2 THR 75 1HG2 THR 75 48.425 56.262 66.172 583 2HG2 THR 75 2HG2 THR 75 48.732 56.487 67.916 584 3HG2 THR 75 3HG2 THR 75 47.687 57.691 67.041 585 H LYS 76 H LYS 76 43.136 57.316 67.714 586 HA LYS 76 HA LYS 76 42.185 54.692 68.721 587 1HB LYS 76 2HB LYS 76 40.681 57.327 68.054 588 2HB LYS 76 1HB LYS 76 40.034 55.849 68.910 589 1HG LYS 76 2HG LYS 76 42.064 56.104 70.563 590 2HG LYS 76 1HG LYS 76 42.256 57.761 69.781 591 1HD LYS 76 2HD LYS 76 39.481 57.025 70.710 592 2HD LYS 76 1HD LYS 76 40.718 57.466 71.983 593 1HE LYS 76 2HE LYS 76 41.152 59.487 70.228 594 2HE LYS 76 1HE LYS 76 39.433 59.102 69.791 595 1HZ LYS 76 1HZ LYS 76 40.465 59.815 72.465 596 2HZ LYS 76 2HZ LYS 76 38.936 59.248 72.239 597 3HZ LYS 76 3HZ LYS 76 39.446 60.733 71.592 598 H GLY 77 H GLY 77 42.692 55.963 65.692 599 1HA GLY 77 1HA GLY 77 40.346 54.573 64.482 600 2HA GLY 77 2HA GLY 77 41.643 55.422 63.569 601 H LEU 78 H LEU 78 43.264 53.929 65.758 602 HA LEU 78 HA LEU 78 43.779 51.523 63.989 603 1HB LEU 78 2HB LEU 78 45.373 53.662 65.348 604 2HB LEU 78 1HB LEU 78 46.134 52.000 65.362 605 HG LEU 78 HG LEU 78 45.380 52.126 62.803 606 1HD1 LEU 78 1HD1 LEU 78 45.841 54.494 61.936 607 2HD1 LEU 78 2HD1 LEU 78 45.371 55.063 63.592 608 3HD1 LEU 78 3HD1 LEU 78 44.199 54.048 62.652 609 1HD2 LEU 78 1HD2 LEU 78 47.693 52.571 62.373 610 2HD2 LEU 78 2HD2 LEU 78 47.818 52.351 64.170 611 3HD2 LEU 78 3HD2 LEU 78 47.740 54.023 63.486 612 H ASP 79 H ASP 79 44.805 52.652 67.260 613 HA ASP 79 HA ASP 79 43.870 50.010 68.301 614 1HB ASP 79 2HB ASP 79 45.941 50.578 69.996 615 2HB ASP 79 1HB ASP 79 46.173 49.646 68.350 616 H GLY 80 H GLY 80 44.776 53.328 69.087 617 1HA GLY 80 1HA GLY 80 43.659 54.922 70.230 618 2HA GLY 80 2HA GLY 80 42.565 53.629 70.998 619 H ARG 81 H ARG 81 45.824 54.756 70.641 620 HA ARG 81 HA ARG 81 46.304 54.339 73.624 621 1HB ARG 81 2HB ARG 81 48.404 54.788 71.350 622 2HB ARG 81 1HB ARG 81 48.824 54.514 73.109 623 1HG ARG 81 2HG ARG 81 47.307 52.671 71.173 624 2HG ARG 81 1HG ARG 81 48.995 52.453 71.754 625 1HD ARG 81 2HD ARG 81 48.046 51.164 73.438 626 2HD ARG 81 1HD ARG 81 47.346 52.709 74.103 627 HE ARG 81 HE ARG 81 45.615 52.000 72.099 628 1HH1 ARG 81 2HH1 ARG 81 46.902 50.364 74.997 629 2HH1 ARG 81 1HH1 ARG 81 45.448 49.402 75.300 630 1HH2 ARG 81 2HH2 ARG 81 43.674 50.702 72.483 631 2HH2 ARG 81 1HH2 ARG 81 43.606 49.583 73.835 632 H ASN 82 H ASN 82 48.118 56.688 71.678 633 HA ASN 82 HA ASN 82 46.904 58.988 71.883 634 1HB ASN 82 2HB ASN 82 46.327 59.436 74.053 635 2HB ASN 82 1HB ASN 82 47.587 58.207 74.749 636 1HD2 ASN 82 1HD2 ASN 82 49.632 58.783 75.011 637 2HD2 ASN 82 2HD2 ASN 82 50.168 60.427 75.117 638 H VAL 83 H VAL 83 48.168 60.545 71.195 639 HA VAL 83 HA VAL 83 51.080 60.379 71.609 640 HB VAL 83 HB VAL 83 51.464 60.697 69.106 641 1HG1 VAL 83 1HG1 VAL 83 51.147 58.062 68.594 642 2HG1 VAL 83 2HG1 VAL 83 50.801 57.938 70.321 643 3HG1 VAL 83 3HG1 VAL 83 52.397 58.651 69.764 644 1HG2 VAL 83 1HG2 VAL 83 49.263 60.952 68.171 645 2HG2 VAL 83 2HG2 VAL 83 48.583 59.595 69.116 646 3HG2 VAL 83 3HG2 VAL 83 49.737 59.242 67.719 647 H LYS 84 H LYS 84 52.259 61.970 70.537 648 HA LYS 84 HA LYS 84 50.736 64.501 69.926 649 1HB LYS 84 2HB LYS 84 52.972 64.851 71.773 650 2HB LYS 84 1HB LYS 84 51.288 65.564 71.792 651 1HG LYS 84 2HG LYS 84 50.335 63.394 72.615 652 2HG LYS 84 1HG LYS 84 52.060 62.711 72.706 653 1HD LYS 84 2HD LYS 84 52.638 64.643 74.092 654 2HD LYS 84 1HD LYS 84 50.879 65.121 74.146 655 1HE LYS 84 2HE LYS 84 50.431 62.607 75.023 656 2HE LYS 84 1HE LYS 84 52.242 62.585 75.315 657 1HZ LYS 84 1HZ LYS 84 50.665 63.436 77.195 658 2HZ LYS 84 2HZ LYS 84 50.833 64.887 76.366 659 3HZ LYS 84 3HZ LYS 84 52.172 64.033 76.883 660 H THR 85 H THR 85 51.404 64.910 68.135 661 HA THR 85 HA THR 85 53.984 64.540 66.877 662 HB THR 85 HB THR 85 51.796 66.408 66.025 663 HG1 THR 85 1HG THR 85 50.808 64.199 65.661 664 1HG2 THR 85 1HG2 THR 85 53.587 65.611 64.352 665 2HG2 THR 85 2HG2 THR 85 51.996 64.820 63.968 666 3HG2 THR 85 3HG2 THR 85 53.316 63.860 64.782 667 H LEU 86 H LEU 86 55.372 65.790 66.153 668 HA LEU 86 HA LEU 86 55.546 68.690 66.726 669 1HB LEU 86 2HB LEU 86 56.446 67.380 68.805 670 2HB LEU 86 1HB LEU 86 57.894 67.062 67.715 671 HG LEU 86 HG LEU 86 57.046 69.907 67.575 672 1HD1 LEU 86 1HD1 LEU 86 57.494 68.430 70.163 673 2HD1 LEU 86 2HD1 LEU 86 56.654 69.982 69.885 674 3HD1 LEU 86 3HD1 LEU 86 58.479 69.993 69.920 675 1HD2 LEU 86 1HD2 LEU 86 59.656 69.951 68.098 676 2HD2 LEU 86 2HD2 LEU 86 59.149 68.901 66.671 677 3HD2 LEU 86 3HD2 LEU 86 59.498 68.152 68.274 678 H VAL 87 H VAL 87 56.067 69.343 64.752 679 HA VAL 87 HA VAL 87 58.192 67.919 63.252 680 HB VAL 87 HB VAL 87 55.471 69.134 62.638 681 1HG1 VAL 87 1HG1 VAL 87 56.976 70.679 61.280 682 2HG1 VAL 87 2HG1 VAL 87 56.015 69.580 60.269 683 3HG1 VAL 87 3HG1 VAL 87 57.768 69.207 60.574 684 1HG2 VAL 87 1HG2 VAL 87 57.128 66.692 61.899 685 2HG2 VAL 87 2HG2 VAL 87 56.018 67.289 60.619 686 3HG2 VAL 87 3HG2 VAL 87 55.369 66.863 62.257 687 H THR 88 H THR 88 59.576 69.005 62.034 688 HA THR 88 HA THR 88 59.747 71.912 62.056 689 HB THR 88 HB THR 88 61.469 69.946 63.683 690 HG1 THR 88 1HG THR 88 60.196 72.309 64.115 691 1HG2 THR 88 1HG2 THR 88 63.170 70.860 62.215 692 2HG2 THR 88 2HG2 THR 88 63.321 71.889 63.667 693 3HG2 THR 88 3HG2 THR 88 62.366 72.512 62.234 694 H TRP 89 H TRP 89 60.654 72.507 60.258 695 HA TRP 89 HA TRP 89 61.559 70.683 58.119 696 1HB TRP 89 2HB TRP 89 62.049 73.709 58.641 697 2HB TRP 89 1HB TRP 89 62.554 72.903 57.112 698 HD1 TRP 89 HD1 TRP 89 59.365 73.909 59.100 699 HE1 TRP 89 HE1 TRP 89 57.436 73.756 57.376 700 HE3 TRP 89 HE3 TRP 89 61.912 71.909 55.358 701 HZ2 TRP 89 HZ2 TRP 89 57.111 72.808 54.590 702 HZ3 TRP 89 HZ3 TRP 89 60.923 71.375 53.261 703 HH2 TRP 89 HH2 TRP 89 58.534 71.829 52.891 704 H GLU 90 H GLU 90 63.446 69.787 57.642 705 HA GLU 90 HA GLU 90 65.698 70.814 59.351 706 1HB GLU 90 2HB GLU 90 64.196 68.636 60.036 707 2HB GLU 90 1HB GLU 90 65.531 67.830 59.124 708 1HG GLU 90 2HG GLU 90 66.228 70.015 61.169 709 2HG GLU 90 1HG GLU 90 65.613 68.345 61.762 710 H GLY 91 H GLY 91 65.467 71.592 57.046 711 1HA GLY 91 1HA GLY 91 66.797 72.021 55.202 712 2HA GLY 91 2HA GLY 91 67.892 70.588 55.633 713 H ASN 92 H ASN 92 65.063 71.805 54.263 714 HA ASN 92 HA ASN 92 63.388 71.225 52.847 715 1HB ASN 92 2HB ASN 92 63.957 69.919 50.781 716 2HB ASN 92 1HB ASN 92 65.236 71.219 51.164 717 1HD2 ASN 92 2HD2 ASN 92 64.461 67.755 51.266 718 2HD2 ASN 92 1HD2 ASN 92 66.107 67.211 51.443 719 H THR 93 H THR 93 63.516 69.876 55.218 720 HA THR 93 HA THR 93 62.073 67.361 54.491 721 HB THR 93 HB THR 93 63.652 67.406 57.127 722 HG1 THR 93 1HG THR 93 65.387 67.495 56.201 723 1HG2 THR 93 1HG2 THR 93 62.381 65.367 56.585 724 2HG2 THR 93 2HG2 THR 93 64.082 64.989 56.024 725 3HG2 THR 93 3HG2 THR 93 62.811 65.469 54.844 726 H LEU 94 H LEU 94 61.745 67.042 57.538 727 HA LEU 94 HA LEU 94 60.280 69.069 58.718 728 1HB LEU 94 2HB LEU 94 57.881 68.430 58.207 729 2HB LEU 94 1HB LEU 94 58.763 69.242 56.865 730 HG LEU 94 HG LEU 94 59.404 66.439 56.756 731 1HD1 LEU 94 1HD1 LEU 94 56.522 66.957 57.594 732 2HD1 LEU 94 2HD1 LEU 94 57.548 65.511 57.787 733 3HD1 LEU 94 3HD1 LEU 94 56.797 65.784 56.174 734 1HD2 LEU 94 1HD2 LEU 94 57.272 67.360 54.844 735 2HD2 LEU 94 2HD2 LEU 94 58.910 66.591 54.543 736 3HD2 LEU 94 3HD2 LEU 94 58.780 68.357 54.909 737 H VAL 95 H VAL 95 61.934 67.356 59.392 738 HA VAL 95 HA VAL 95 61.411 64.846 60.254 739 HB VAL 95 HB VAL 95 62.688 67.162 61.792 740 1HG1 VAL 95 1HG1 VAL 95 62.489 64.243 62.610 741 2HG1 VAL 95 2HG1 VAL 95 62.601 65.808 63.580 742 3HG1 VAL 95 3HG1 VAL 95 64.056 65.048 62.719 743 1HG2 VAL 95 1HG2 VAL 95 64.763 66.513 60.755 744 2HG2 VAL 95 2HG2 VAL 95 63.564 66.040 59.435 745 3HG2 VAL 95 3HG2 VAL 95 64.257 64.781 60.515 746 H CYS 96 H CYS 96 59.810 64.062 61.255 747 HA CYS 96 HA CYS 96 58.516 65.584 63.478 748 1HB CYS 96 2HB CYS 96 57.104 64.809 61.349 749 2HB CYS 96 1HB CYS 96 57.295 63.142 61.897 750 HG CYS 96 HG CYS 96 56.198 65.570 63.912 751 H VAL 97 H VAL 97 57.827 64.450 65.293 752 HA VAL 97 HA VAL 97 58.888 61.816 66.000 753 HB VAL 97 HB VAL 97 59.423 63.906 68.036 754 1HG1 VAL 97 1HG1 VAL 97 61.867 62.750 67.284 755 2HG1 VAL 97 2HG1 VAL 97 60.728 61.401 66.811 756 3HG1 VAL 97 3HG1 VAL 97 60.721 61.993 68.507 757 1HG2 VAL 97 1HG2 VAL 97 59.882 65.323 66.162 758 2HG2 VAL 97 2HG2 VAL 97 60.991 64.060 65.384 759 3HG2 VAL 97 3HG2 VAL 97 61.418 64.884 66.967 760 H GLN 98 H GLN 98 57.404 60.840 66.990 761 HA GLN 98 HA GLN 98 55.118 62.265 68.245 762 1HB GLN 98 2HB GLN 98 55.751 59.486 67.239 763 2HB GLN 98 1HB GLN 98 54.777 59.495 68.835 764 1HG GLN 98 2HG GLN 98 53.135 61.090 67.620 765 2HG GLN 98 1HG GLN 98 54.004 60.683 66.080 766 1HE2 GLN 98 2HE2 GLN 98 51.644 60.180 65.857 767 2HE2 GLN 98 1HE2 GLN 98 51.246 58.450 66.118 768 H LYS 99 H LYS 99 54.204 61.592 70.126 769 HA LYS 99 HA LYS 99 56.287 60.906 72.216 770 1HB LYS 99 2HB LYS 99 54.136 63.011 72.520 771 2HB LYS 99 1HB LYS 99 55.509 62.762 73.634 772 1HG LYS 99 2HG LYS 99 56.021 63.507 70.689 773 2HG LYS 99 1HG LYS 99 55.628 64.806 71.863 774 1HD LYS 99 2HD LYS 99 57.742 64.372 73.035 775 2HD LYS 99 1HD LYS 99 57.776 62.671 72.396 776 1HE LYS 99 2HE LYS 99 58.627 63.353 70.318 777 2HE LYS 99 1HE LYS 99 57.827 64.948 70.412 778 1HZ LYS 99 1HZ LYS 99 60.518 64.471 71.009 779 2HZ LYS 99 2HZ LYS 99 59.756 64.604 72.506 780 3HZ LYS 99 3HZ LYS 99 59.612 65.818 71.367 781 H GLY 100 H GLY 100 55.032 60.955 74.407 782 1HA GLY 100 1HA GLY 100 52.933 60.412 75.569 783 2HA GLY 100 2HA GLY 100 52.336 59.523 74.135 784 H GLU 101 H GLU 101 53.895 57.930 73.394 785 HA GLU 101 HA GLU 101 55.319 56.442 75.534 786 1HB GLU 101 2HB GLU 101 53.218 55.148 73.535 787 2HB GLU 101 1HB GLU 101 54.161 54.350 74.865 788 1HG GLU 101 2HG GLU 101 52.950 56.058 76.426 789 2HG GLU 101 1HG GLU 101 51.864 56.396 74.958 790 H LYS 102 H LYS 102 55.912 58.018 73.056 791 HA LYS 102 HA LYS 102 57.611 55.855 71.685 792 1HB LYS 102 2HB LYS 102 56.192 58.334 70.627 793 2HB LYS 102 1HB LYS 102 57.530 57.411 69.746 794 1HG LYS 102 2HG LYS 102 55.660 56.272 68.865 795 2HG LYS 102 1HG LYS 102 55.952 55.325 70.395 796 1HD LYS 102 2HD LYS 102 54.336 56.589 71.669 797 2HD LYS 102 1HD LYS 102 54.051 57.721 70.311 798 1HE LYS 102 2HE LYS 102 52.493 55.438 70.892 799 2HE LYS 102 1HE LYS 102 52.667 56.235 69.270 800 1HZ LYS 102 1HZ LYS 102 54.325 54.583 68.742 801 2HZ LYS 102 2HZ LYS 102 53.062 53.739 69.426 802 3HZ LYS 102 3HZ LYS 102 54.400 54.014 70.312 803 H GLU 103 H GLU 103 57.425 59.298 71.911 804 HA GLU 103 HA GLU 103 58.866 61.011 72.100 805 1HB GLU 103 2HB GLU 103 61.090 59.527 73.520 806 2HB GLU 103 1HB GLU 103 60.037 60.929 74.043 807 1HG GLU 103 2HG GLU 103 58.130 59.353 74.485 808 2HG GLU 103 1HG GLU 103 59.378 57.978 74.443 809 H ASN 104 H ASN 104 59.588 58.621 70.109 810 HA ASN 104 HA ASN 104 61.666 60.196 68.962 811 1HB ASN 104 2HB ASN 104 63.456 58.591 69.159 812 2HB ASN 104 1HB ASN 104 62.792 58.631 70.868 813 1HD2 ASN 104 2HD2 ASN 104 64.356 56.773 69.525 814 2HD2 ASN 104 1HD2 ASN 104 63.433 55.143 69.503 815 H ARG 105 H ARG 105 58.850 59.020 68.351 816 HA ARG 105 HA ARG 105 59.585 57.187 66.151 817 1HB ARG 105 2HB ARG 105 57.695 56.386 67.760 818 2HB ARG 105 1HB ARG 105 56.801 57.832 67.264 819 1HG ARG 105 2HG ARG 105 57.490 56.932 64.768 820 2HG ARG 105 1HG ARG 105 57.442 55.374 65.750 821 1HD ARG 105 2HD ARG 105 55.146 56.133 66.682 822 2HD ARG 105 1HD ARG 105 55.106 57.208 65.228 823 HE ARG 105 HE ARG 105 55.348 54.228 65.291 824 1HH1 ARG 105 2HH2 ARG 105 54.901 57.242 63.341 825 2HH1 ARG 105 1HH2 ARG 105 54.442 56.474 61.872 826 1HH2 ARG 105 2HH1 ARG 105 54.733 53.159 63.322 827 2HH2 ARG 105 1HH1 ARG 105 54.349 54.080 61.868 828 H GLY 106 H GLY 106 60.435 58.332 64.791 829 1HA GLY 106 1HA GLY 106 58.728 60.568 63.608 830 2HA GLY 106 2HA GLY 106 60.545 60.520 63.635 831 H TRP 107 H TRP 107 59.057 61.119 61.608 832 HA TRP 107 HA TRP 107 60.031 59.207 59.582 833 1HB TRP 107 2HB TRP 107 57.743 60.346 58.314 834 2HB TRP 107 1HB TRP 107 57.937 58.642 58.859 835 HD1 TRP 107 HD1 TRP 107 57.044 58.413 61.693 836 HE1 TRP 107 HE1 TRP 107 55.153 59.673 62.892 837 HE3 TRP 107 HE3 TRP 107 56.624 62.189 58.471 838 HZ2 TRP 107 HZ2 TRP 107 53.813 61.895 62.451 839 HZ3 TRP 107 HZ3 TRP 107 54.994 63.926 58.866 840 HH2 TRP 107 HH2 TRP 107 53.554 63.768 60.899 841 H LYS 108 H LYS 108 61.420 59.989 58.422 842 HA LYS 108 HA LYS 108 61.410 62.924 57.747 843 1HB LYS 108 2HB LYS 108 63.632 60.776 57.970 844 2HB LYS 108 1HB LYS 108 63.883 62.430 57.194 845 1HG LYS 108 2HG LYS 108 63.269 63.583 59.211 846 2HG LYS 108 1HG LYS 108 62.829 62.013 60.037 847 1HD LYS 108 2HD LYS 108 65.148 62.599 60.873 848 2HD LYS 108 1HD LYS 108 65.313 61.290 59.634 849 1HE LYS 108 2HE LYS 108 65.262 64.167 58.754 850 2HE LYS 108 1HE LYS 108 66.744 63.588 59.643 851 1HZ LYS 108 1HZ LYS 108 65.752 61.828 57.558 852 2HZ LYS 108 2HZ LYS 108 67.287 62.169 58.005 853 3HZ LYS 108 3HZ LYS 108 66.497 63.212 56.950 854 H GLN 109 H GLN 109 59.948 62.733 56.144 855 HA GLN 109 HA GLN 109 61.062 61.264 53.734 856 1HB GLN 109 2HB GLN 109 58.886 63.025 52.996 857 2HB GLN 109 1HB GLN 109 58.846 61.179 52.989 858 1HG GLN 109 2HG GLN 109 58.022 61.327 55.395 859 2HG GLN 109 1HG GLN 109 58.282 63.197 55.199 860 1HE2 GLN 109 2HE2 GLN 109 56.872 60.324 53.832 861 2HE2 GLN 109 1HE2 GLN 109 55.365 61.215 53.072 862 H TRP 110 H TRP 110 62.607 62.524 52.447 863 HA TRP 110 HA TRP 110 62.307 65.530 52.898 864 1HB TRP 110 2HB TRP 110 64.606 65.655 52.809 865 2HB TRP 110 1HB TRP 110 64.169 64.182 53.776 866 HD1 TRP 110 HD1 TRP 110 65.393 65.221 50.314 867 HE1 TRP 110 HE1 TRP 110 66.590 63.070 49.232 868 HE3 TRP 110 HE3 TRP 110 64.267 62.128 53.876 869 HZ2 TRP 110 HZ2 TRP 110 66.842 60.355 50.147 870 HZ3 TRP 110 HZ3 TRP 110 64.918 59.744 53.886 871 HH2 TRP 110 HH2 TRP 110 66.159 58.938 52.060 872 H VAL 111 H VAL 111 61.256 63.500 50.630 873 HA VAL 111 HA VAL 111 60.727 63.607 48.353 874 HB VAL 111 HB VAL 111 61.125 66.586 48.841 875 1HG1 VAL 111 1HG1 VAL 111 58.811 66.505 47.390 876 2HG1 VAL 111 2HG1 VAL 111 59.635 64.962 46.763 877 3HG1 VAL 111 3HG1 VAL 111 60.423 66.531 46.648 878 1HG2 VAL 111 1HG2 VAL 111 58.908 64.747 49.972 879 2HG2 VAL 111 2HG2 VAL 111 58.585 66.471 49.472 880 3HG2 VAL 111 3HG2 VAL 111 59.850 66.109 50.731 881 H GLU 112 H GLU 112 61.912 62.970 46.888 882 HA GLU 112 HA GLU 112 64.292 64.534 46.066 883 1HB GLU 112 2HB GLU 112 63.527 61.617 45.886 884 2HB GLU 112 1HB GLU 112 64.872 62.264 44.876 885 1HG GLU 112 2HG GLU 112 66.007 63.044 47.007 886 2HG GLU 112 1HG GLU 112 64.501 62.329 47.940 887 H GLY 113 H GLY 113 62.348 62.136 44.376 888 1HA GLY 113 1HA GLY 113 60.795 63.656 42.539 889 2HA GLY 113 2HA GLY 113 62.433 63.464 41.768 890 H ASP 114 H ASP 114 59.342 62.303 42.180 891 HA ASP 114 HA ASP 114 58.305 60.245 41.642 892 1HB ASP 114 2HB ASP 114 60.640 60.323 39.595 893 2HB ASP 114 1HB ASP 114 59.120 59.204 39.498 894 H LYS 115 H LYS 115 60.352 60.266 43.647 895 HA LYS 115 HA LYS 115 60.233 57.641 44.586 896 1HB LYS 115 2HB LYS 115 62.387 58.019 42.464 897 2HB LYS 115 1HB LYS 115 62.992 57.371 44.017 898 1HG LYS 115 2HG LYS 115 60.519 55.959 43.637 899 2HG LYS 115 1HG LYS 115 61.367 56.034 42.023 900 1HD LYS 115 2HD LYS 115 63.184 54.819 42.920 901 2HD LYS 115 1HD LYS 115 63.033 55.503 44.570 902 1HE LYS 115 2HE LYS 115 61.121 54.104 45.118 903 2HE LYS 115 1HE LYS 115 60.926 53.697 43.344 904 1HZ LYS 115 1HZ LYS 115 63.101 52.827 45.252 905 2HZ LYS 115 2HZ LYS 115 63.129 52.562 43.604 906 3HZ LYS 115 3HZ LYS 115 61.938 51.851 44.541 907 H LEU 116 H LEU 116 59.863 58.719 46.388 908 HA LEU 116 HA LEU 116 62.418 60.085 47.401 909 1HB LEU 116 2HB LEU 116 61.353 61.686 48.498 910 2HB LEU 116 1HB LEU 116 60.151 61.482 47.143 911 HG LEU 116 HG LEU 116 59.899 60.049 49.840 912 1HD1 LEU 116 1HD1 LEU 116 58.006 62.037 50.077 913 2HD1 LEU 116 2HD1 LEU 116 58.983 62.827 48.821 914 3HD1 LEU 116 3HD1 LEU 116 59.699 62.408 50.494 915 1HD2 LEU 116 1HD2 LEU 116 57.532 59.888 49.228 916 2HD2 LEU 116 2HD2 LEU 116 58.500 59.205 47.808 917 3HD2 LEU 116 3HD2 LEU 116 57.813 60.870 47.757 918 H TYR 117 H TYR 117 62.814 60.081 49.608 919 HA TYR 117 HA TYR 117 61.981 57.369 50.657 920 1HB TYR 117 2HB TYR 117 64.636 58.877 50.296 921 2HB TYR 117 1HB TYR 117 64.495 57.895 51.801 922 HD1 TYR 117 HD1 TYR 117 66.372 57.728 49.128 923 HD2 TYR 117 HD2 TYR 117 62.952 55.415 50.419 924 HE1 TYR 117 HE1 TYR 117 67.150 55.917 47.785 925 HE2 TYR 117 HE2 TYR 117 63.787 53.567 49.016 926 HH TYR 117 HH TYR 117 66.936 53.523 47.626 927 H LEU 118 H LEU 118 61.569 56.998 52.548 928 HA LEU 118 HA LEU 118 61.629 59.378 54.379 929 1HB LEU 118 2HB LEU 118 59.333 59.209 53.676 930 2HB LEU 118 1HB LEU 118 59.398 57.373 53.582 931 HG LEU 118 HG LEU 118 59.467 57.202 56.056 932 1HD1 LEU 118 1HD1 LEU 118 59.887 58.954 57.334 933 2HD1 LEU 118 2HD1 LEU 118 58.529 59.912 56.597 934 3HD1 LEU 118 3HD1 LEU 118 60.223 59.941 55.891 935 1HD2 LEU 118 1HD2 LEU 118 57.075 57.522 56.378 936 2HD2 LEU 118 2HD2 LEU 118 57.213 57.532 54.556 937 3HD2 LEU 118 3HD2 LEU 118 57.168 59.097 55.505 938 H GLU 119 H GLU 119 62.911 58.997 55.960 939 HA GLU 119 HA GLU 119 63.587 56.182 56.794 940 1HB GLU 119 2HB GLU 119 64.867 58.549 58.199 941 2HB GLU 119 1HB GLU 119 65.491 56.959 57.592 942 1HG GLU 119 2HG GLU 119 64.917 58.034 55.157 943 2HG GLU 119 1HG GLU 119 65.157 59.575 56.084 944 H LEU 120 H LEU 120 62.473 55.194 58.201 945 HA LEU 120 HA LEU 120 61.050 56.814 60.183 946 1HB LEU 120 2HB LEU 120 60.818 54.093 59.134 947 2HB LEU 120 1HB LEU 120 60.328 54.242 60.914 948 HG LEU 120 HG LEU 120 58.492 54.519 59.166 949 1HD1 LEU 120 1HD1 LEU 120 59.000 56.244 61.560 950 2HD1 LEU 120 2HD1 LEU 120 57.493 55.389 60.886 951 3HD1 LEU 120 3HD1 LEU 120 57.974 57.058 60.348 952 1HD2 LEU 120 1HD2 LEU 120 59.695 56.045 57.536 953 2HD2 LEU 120 2HD2 LEU 120 59.769 57.348 58.795 954 3HD2 LEU 120 3HD2 LEU 120 58.193 56.811 58.128 955 H THR 121 H THR 121 61.416 56.637 62.402 956 HA THR 121 HA THR 121 63.880 55.044 63.168 957 HB THR 121 HB THR 121 64.517 57.121 64.606 958 HG1 THR 121 1HG THR 121 62.415 58.097 63.107 959 1HG2 THR 121 1HG2 THR 121 65.701 58.218 62.719 960 2HG2 THR 121 2HG2 THR 121 64.359 57.734 61.581 961 3HG2 THR 121 3HG2 THR 121 65.546 56.502 62.132 962 H CYS 122 H CYS 122 61.133 54.444 63.391 963 HA CYS 122 HA CYS 122 60.009 55.044 65.927 964 1HB CYS 122 2HB CYS 122 59.793 52.419 64.328 965 2HB CYS 122 1HB CYS 122 58.593 52.983 65.479 966 HG CYS 122 HG CYS 122 58.851 55.519 63.880 967 H GLY 123 H GLY 123 59.679 54.019 67.592 968 1HA GLY 123 1HA GLY 123 61.114 53.543 69.626 969 2HA GLY 123 2HA GLY 123 59.929 52.226 69.152 970 H ASP 124 H ASP 124 63.040 53.244 69.693 971 HA ASP 124 HA ASP 124 65.220 52.386 69.358 972 1HB ASP 124 2HB ASP 124 64.013 51.502 71.523 973 2HB ASP 124 1HB ASP 124 63.766 49.906 70.605 974 H GLN 125 H GLN 125 63.916 51.985 66.995 975 HA GLN 125 HA GLN 125 65.521 49.723 65.986 976 1HB GLN 125 2HB GLN 125 63.875 48.329 67.076 977 2HB GLN 125 1HB GLN 125 62.506 49.109 66.213 978 1HG GLN 125 2HG GLN 125 63.256 48.332 64.059 979 2HG GLN 125 1HG GLN 125 64.868 47.820 64.809 980 1HE2 GLN 125 1HE2 GLN 125 64.869 46.241 66.325 981 2HE2 GLN 125 2HE2 GLN 125 63.486 44.976 66.406 982 H VAL 126 H VAL 126 66.026 51.446 64.866 983 HA VAL 126 HA VAL 126 64.585 53.210 63.229 984 HB VAL 126 HB VAL 126 67.296 51.762 62.439 985 1HG1 VAL 126 1HG1 VAL 126 67.217 53.338 60.754 986 2HG1 VAL 126 2HG1 VAL 126 67.263 54.639 62.018 987 3HG1 VAL 126 3HG1 VAL 126 65.670 53.976 61.353 988 1HG2 VAL 126 1HG2 VAL 126 68.156 53.940 63.630 989 2HG2 VAL 126 2HG2 VAL 126 67.868 52.459 64.542 990 3HG2 VAL 126 3HG2 VAL 126 66.616 53.784 64.611 991 H CYS 127 H CYS 127 63.584 53.136 61.252 992 HA CYS 127 HA CYS 127 63.849 50.520 59.682 993 1HB CYS 127 2HB CYS 127 61.292 52.042 59.285 994 2HB CYS 127 1HB CYS 127 61.533 50.325 59.667 995 HG CYS 127 HG CYS 127 61.604 50.460 62.240 996 H ARG 128 H ARG 128 62.317 51.159 57.488 997 HA ARG 128 HA ARG 128 63.430 53.830 56.655 998 1HB ARG 128 2HB ARG 128 65.327 52.295 56.390 999 2HB ARG 128 1HB ARG 128 64.290 51.245 55.277 1000 1HG ARG 128 2HG ARG 128 63.972 53.191 53.796 1001 2HG ARG 128 1HG ARG 128 65.012 54.211 54.845 1002 1HD ARG 128 2HD ARG 128 66.173 51.533 53.974 1003 2HD ARG 128 1HD ARG 128 65.760 52.620 52.570 1004 HE ARG 128 HE ARG 128 67.267 54.252 53.337 1005 1HH1 ARG 128 2HH1 ARG 128 67.576 51.191 55.216 1006 2HH1 ARG 128 1HH1 ARG 128 69.199 51.600 55.788 1007 1HH2 ARG 128 1HH2 ARG 128 69.313 54.753 54.097 1008 2HH2 ARG 128 2HH2 ARG 128 70.149 53.608 55.131 1009 H GLN 129 H GLN 129 61.315 54.377 56.328 1010 HA GLN 129 HA GLN 129 59.607 52.719 54.701 1011 1HB GLN 129 2HB GLN 129 59.061 54.772 56.177 1012 2HB GLN 129 1HB GLN 129 59.295 55.746 54.664 1013 1HG GLN 129 2HG GLN 129 56.923 55.153 54.758 1014 2HG GLN 129 1HG GLN 129 57.732 54.241 53.381 1015 1HE2 GLN 129 2HE2 GLN 129 57.700 53.732 57.011 1016 2HE2 GLN 129 1HE2 GLN 129 56.946 52.148 56.942 1017 H VAL 130 H VAL 130 58.870 52.818 52.550 1018 HA VAL 130 HA VAL 130 60.719 54.247 50.688 1019 HB VAL 130 HB VAL 130 59.817 51.304 50.546 1020 1HG1 VAL 130 1HG1 VAL 130 60.897 53.110 48.218 1021 2HG1 VAL 130 2HG1 VAL 130 59.298 52.269 48.256 1022 3HG1 VAL 130 3HG1 VAL 130 60.872 51.338 48.197 1023 1HG2 VAL 130 1HG2 VAL 130 62.484 52.132 49.527 1024 2HG2 VAL 130 2HG2 VAL 130 62.072 50.728 50.541 1025 3HG2 VAL 130 3HG2 VAL 130 62.329 52.339 51.325 1026 H PHE 131 H PHE 131 59.722 55.481 49.549 1027 HA PHE 131 HA PHE 131 56.851 55.181 48.629 1028 1HB PHE 131 2HB PHE 131 58.680 57.372 49.769 1029 2HB PHE 131 1HB PHE 131 57.339 57.851 48.649 1030 HD1 PHE 131 HD1 PHE 131 57.356 55.227 51.479 1031 HD2 PHE 131 HD2 PHE 131 55.806 58.894 49.855 1032 HE1 PHE 131 HE1 PHE 131 55.711 55.301 53.309 1033 HE2 PHE 131 HE2 PHE 131 54.178 58.947 51.666 1034 HZ PHE 131 HZ PHE 131 54.125 57.120 53.432 1035 H LYS 132 H LYS 132 56.370 56.890 47.088 1036 HA LYS 132 HA LYS 132 58.315 57.540 44.962 1037 1HB LYS 132 2HB LYS 132 56.314 56.335 43.416 1038 2HB LYS 132 1HB LYS 132 57.780 55.397 43.925 1039 1HG LYS 132 2HG LYS 132 56.612 54.254 45.615 1040 2HG LYS 132 1HG LYS 132 55.288 55.479 45.738 1041 1HD LYS 132 2HD LYS 132 55.913 53.913 43.204 1042 2HD LYS 132 1HD LYS 132 54.643 53.381 44.472 1043 1HE LYS 132 2HE LYS 132 53.480 55.616 44.053 1044 2HE LYS 132 1HE LYS 132 54.537 55.875 42.633 1045 1HZ LYS 132 1HZ LYS 132 52.941 53.420 42.974 1046 2HZ LYS 132 2HZ LYS 132 53.638 54.074 41.572 1047 3HZ LYS 132 3HZ LYS 132 52.244 54.723 42.286 1048 H LYS 133 H LYS 133 57.343 59.126 43.701 1049 HA LYS 133 HA LYS 133 54.469 59.785 44.472 1050 1HB LYS 133 2HB LYS 133 55.287 62.173 45.079 1051 2HB LYS 133 1HB LYS 133 55.656 60.733 46.197 1052 1HG LYS 133 2HG LYS 133 57.934 60.991 45.867 1053 2HG LYS 133 1HG LYS 133 57.642 61.176 44.040 1054 1HD LYS 133 2HD LYS 133 57.236 63.485 46.080 1055 2HD LYS 133 1HD LYS 133 58.813 63.137 45.217 1056 1HE LYS 133 2HE LYS 133 58.123 63.917 43.305 1057 2HE LYS 133 1HE LYS 133 56.522 62.982 43.427 1058 1HZ LYS 133 1HZ LYS 133 55.465 64.789 44.136 1059 2HZ LYS 133 2HZ LYS 133 56.754 65.698 43.725 1060 3HZ LYS 133 3HZ LYS 133 56.614 65.116 45.310 1061 H LYS 134 H LYS 134 53.459 61.394 43.606 1062 HA LYS 134 HA LYS 134 54.495 63.077 41.555 1063 1HB LYS 134 2HB LYS 134 53.440 61.910 39.477 1064 2HB LYS 134 1HB LYS 134 54.781 60.988 40.221 1065 1HG LYS 134 2HG LYS 134 52.092 60.346 41.414 1066 2HG LYS 134 1HG LYS 134 52.182 59.967 39.636 1067 1HD LYS 134 2HD LYS 134 54.210 59.062 41.752 1068 2HD LYS 134 1HD LYS 134 52.841 58.045 41.032 1069 1HE LYS 134 2HE LYS 134 54.708 59.380 39.124 1070 2HE LYS 134 1HE LYS 134 55.221 57.805 40.004 1071 1HZ LYS 134 1HZ LYS 134 53.730 56.708 38.838 1072 2HZ LYS 134 2HZ LYS 134 53.617 58.009 37.759 1073 3HZ LYS 134 3HZ LYS 134 52.528 57.820 38.966 1074 1H2 RTL 135 1H2 RET 135 47.059 50.961 58.326 1075 2H2 RTL 135 2H2 RET 135 47.166 52.324 59.320 1076 1H3 RTL 135 1H3 RET 135 47.480 51.052 61.196 1077 2H3 RTL 135 2H3 RET 135 47.169 49.660 60.272 1078 1H4 RTL 135 1H4 RET 135 49.501 49.187 59.923 1079 2H4 RTL 135 2H4 RET 135 49.339 49.612 61.558 1080 H7 RTL 135 H7 RET 135 52.109 52.588 58.892 1081 H8 RTL 135 H8 RET 135 49.785 54.637 59.230 1082 H10 RTL 135 H10 RET 135 50.692 55.976 57.044 1083 H11 RTL 135 H11 RET 135 53.457 56.830 57.215 1084 H12 RTL 135 H12 RET 135 51.148 58.905 57.511 1085 H14 RTL 135 H14 RET 135 52.060 60.201 55.315 1086 1H15 RTL 135 1H15 RET 135 53.459 62.048 54.754 1087 2H15 RTL 135 2H15 RET 135 54.847 61.124 55.419 1088 HO1 RTL 135 H51 RET 135 54.795 62.208 57.083 1089 1H16 RTL 135 1H16 RET 135 50.267 50.904 56.776 1090 2H16 RTL 135 2H16 RET 135 48.503 50.666 56.640 1091 3H16 RTL 135 3H16 RET 135 49.459 49.708 57.766 1092 1H17 RTL 135 1H17 RET 135 49.868 52.971 56.766 1093 2H17 RTL 135 2H17 RET 135 48.688 53.811 57.778 1094 3H17 RTL 135 3H17 RET 135 48.163 52.595 56.634 1095 1H18 RTL 135 1H18 RET 135 52.259 51.302 60.978 1096 2H18 RTL 135 2H18 RET 135 51.353 50.157 62.012 1097 3H18 RTL 135 3H18 RET 135 51.105 51.938 62.137 1098 1H19 RTL 135 1H19 RET 135 53.085 54.437 60.088 1099 2H19 RTL 135 2H19 RET 135 52.446 55.953 60.642 1100 3H19 RTL 135 3H19 RET 135 53.719 55.935 59.343 1101 1H20 RTL 135 1H20 RET 135 54.109 59.038 58.840 1102 2H20 RTL 135 2H20 RET 135 54.260 60.756 58.366 1103 3H20 RTL 135 3H20 RET 135 55.162 59.467 57.510 Start of MODEL 5 1 1H MET 1 1H MET 1 60.975 74.810 43.989 2 2H MET 1 2H MET 1 61.418 75.756 42.726 3 3H MET 1 3H MET 1 61.948 76.109 44.301 4 HA MET 1 HA MET 1 62.808 73.555 43.180 5 1HB MET 1 2HB MET 1 63.988 76.398 42.724 6 2HB MET 1 1HB MET 1 65.010 74.904 42.659 7 1HG MET 1 2HG MET 1 62.532 74.482 41.095 8 2HG MET 1 1HG MET 1 63.216 76.004 40.551 9 1HE MET 1 1HE MET 1 65.548 71.929 40.653 10 2HE MET 1 2HE MET 1 63.840 72.164 41.241 11 3HE MET 1 3HE MET 1 65.089 72.849 42.178 12 H THR 2 H THR 2 61.978 73.826 45.569 13 HA THR 2 HA THR 2 64.485 73.704 47.190 14 HB THR 2 HB THR 2 62.196 75.727 47.725 15 HG1 THR 2 1HG THR 2 64.518 76.721 48.161 16 1HG2 THR 2 1HG2 THR 2 64.433 74.419 49.574 17 2HG2 THR 2 2HG2 THR 2 62.724 74.590 49.898 18 3HG2 THR 2 3HG2 THR 2 63.811 76.062 49.935 19 H LYS 3 H LYS 3 60.908 73.928 47.325 20 HA LYS 3 HA LYS 3 60.937 71.122 48.358 21 1HB LYS 3 2HB LYS 3 60.157 71.553 50.527 22 2HB LYS 3 1HB LYS 3 61.323 72.949 50.390 23 1HG LYS 3 2HG LYS 3 59.160 74.124 49.323 24 2HG LYS 3 1HG LYS 3 58.292 72.800 50.138 25 1HD LYS 3 2HD LYS 3 58.338 74.457 51.901 26 2HD LYS 3 1HD LYS 3 59.823 73.538 52.260 27 1HE LYS 3 2HE LYS 3 61.167 75.338 51.779 28 2HE LYS 3 1HE LYS 3 60.091 75.756 50.296 29 1HZ LYS 3 1HZ LYS 3 60.094 77.335 52.397 30 2HZ LYS 3 2HZ LYS 3 59.213 76.141 53.148 31 3HZ LYS 3 3HZ LYS 3 58.655 76.887 51.755 32 H ASP 4 H ASP 4 58.694 70.388 49.215 33 HA ASP 4 HA ASP 4 56.313 71.602 48.233 34 1HB ASP 4 2HB ASP 4 57.602 70.971 45.951 35 2HB ASP 4 1HB ASP 4 57.230 69.264 46.453 36 H GLN 5 H GLN 5 56.337 70.797 50.547 37 HA GLN 5 HA GLN 5 56.391 67.948 51.005 38 1HB GLN 5 2HB GLN 5 55.613 70.473 52.429 39 2HB GLN 5 1HB GLN 5 54.470 69.047 52.793 40 1HG GLN 5 2HG GLN 5 57.378 68.511 52.676 41 2HG GLN 5 1HG GLN 5 56.664 69.373 54.202 42 1HE2 GLN 5 2HE2 GLN 5 54.873 68.501 55.128 43 2HE2 GLN 5 1HE2 GLN 5 54.622 66.744 55.232 44 H ASN 6 H ASN 6 54.178 70.071 49.466 45 HA ASN 6 HA ASN 6 51.835 68.327 49.730 46 1HB ASN 6 2HB ASN 6 51.950 70.172 47.283 47 2HB ASN 6 1HB ASN 6 50.608 69.880 48.468 48 1HD2 ASN 6 1HD2 ASN 6 50.033 71.758 48.842 49 2HD2 ASN 6 2HD2 ASN 6 51.082 73.009 49.770 50 H GLY 7 H GLY 7 51.052 66.793 48.363 51 1HA GLY 7 1HA GLY 7 51.813 66.544 45.609 52 2HA GLY 7 2HA GLY 7 52.973 65.581 46.591 53 H THR 8 H THR 8 52.430 63.780 45.878 54 HA THR 8 HA THR 8 50.199 62.380 47.003 55 HB THR 8 HB THR 8 50.467 62.693 43.922 56 HG1 THR 8 1HG THR 8 48.811 63.909 44.793 57 1HG2 THR 8 1HG2 THR 8 50.473 60.209 44.560 58 2HG2 THR 8 2HG2 THR 8 48.824 60.608 43.903 59 3HG2 THR 8 3HG2 THR 8 49.108 60.494 45.697 60 H TRP 9 H TRP 9 50.653 60.197 46.965 61 HA TRP 9 HA TRP 9 53.001 59.115 45.615 62 1HB TRP 9 2HB TRP 9 54.104 58.878 48.173 63 2HB TRP 9 1HB TRP 9 54.702 59.990 46.855 64 HD1 TRP 9 HD1 TRP 9 51.697 60.076 49.312 65 HE1 TRP 9 HE1 TRP 9 51.548 62.367 50.488 66 HE3 TRP 9 HE3 TRP 9 55.627 62.077 47.238 67 HZ2 TRP 9 HZ2 TRP 9 53.005 64.633 50.401 68 HZ3 TRP 9 HZ3 TRP 9 56.357 64.366 47.728 69 HH2 TRP 9 HH2 TRP 9 55.092 65.688 49.293 70 H GLU 10 H GLU 10 51.773 57.349 45.183 71 HA GLU 10 HA GLU 10 50.427 55.766 47.115 72 1HB GLU 10 2HB GLU 10 51.812 55.085 44.415 73 2HB GLU 10 1HB GLU 10 51.039 53.809 45.482 74 1HG GLU 10 2HG GLU 10 49.107 54.495 44.326 75 2HG GLU 10 1HG GLU 10 49.272 55.947 45.461 76 H MET 11 H MET 11 51.120 54.084 48.360 77 HA MET 11 HA MET 11 54.025 54.103 49.194 78 1HB MET 11 2HB MET 11 51.367 52.997 50.172 79 2HB MET 11 1HB MET 11 52.817 51.947 50.492 80 1HG MET 11 2HG MET 11 53.908 54.183 51.501 81 2HG MET 11 1HG MET 11 52.258 54.833 51.478 82 1HE MET 11 1HE MET 11 54.437 53.897 54.380 83 2HE MET 11 2HE MET 11 55.032 52.996 52.873 84 3HE MET 11 3HE MET 11 54.537 52.126 54.266 85 H GLU 12 H GLU 12 55.496 52.635 48.937 86 HA GLU 12 HA GLU 12 54.954 50.460 46.895 87 1HB GLU 12 2HB GLU 12 57.495 52.138 47.409 88 2HB GLU 12 1HB GLU 12 57.575 50.426 46.826 89 1HG GLU 12 2HG GLU 12 55.840 51.213 44.986 90 2HG GLU 12 1HG GLU 12 56.172 52.936 45.728 91 H SER 13 H SER 13 57.293 51.288 49.434 92 HA SER 13 HA SER 13 56.498 48.888 51.038 93 1HB SER 13 2HB SER 13 58.248 48.202 49.095 94 2HB SER 13 1HB SER 13 59.425 49.143 50.219 95 HG SER 13 HG SER 13 58.812 46.706 50.318 96 H ASN 14 H ASN 14 58.240 48.384 52.494 97 HA ASN 14 HA ASN 14 59.613 50.666 53.768 98 1HB ASN 14 2HB ASN 14 57.875 48.663 55.425 99 2HB ASN 14 1HB ASN 14 58.405 50.394 55.885 100 1HD2 ASN 14 2HD2 ASN 14 56.031 48.404 54.792 101 2HD2 ASN 14 1HD2 ASN 14 54.940 49.736 53.976 102 H GLU 15 H GLU 15 60.357 49.663 56.041 103 HA GLU 15 HA GLU 15 61.779 47.125 55.199 104 1HB GLU 15 2HB GLU 15 62.763 49.835 56.201 105 2HB GLU 15 1HB GLU 15 63.662 48.369 56.819 106 1HG GLU 15 2HG GLU 15 62.911 48.642 53.885 107 2HG GLU 15 1HG GLU 15 64.559 49.212 54.601 108 H ASN 16 H ASN 16 62.897 46.237 57.338 109 HA ASN 16 HA ASN 16 62.604 45.125 59.282 110 1HB ASN 16 2HB ASN 16 62.228 48.044 59.921 111 2HB ASN 16 1HB ASN 16 61.876 46.730 61.215 112 1HD2 ASN 16 2HD2 ASN 16 63.727 48.024 62.110 113 2HD2 ASN 16 1HD2 ASN 16 65.434 47.300 61.710 114 H PHE 17 H PHE 17 60.022 47.430 59.587 115 HA PHE 17 HA PHE 17 57.656 47.204 59.723 116 1HB PHE 17 2HB PHE 17 57.897 44.155 59.752 117 2HB PHE 17 1HB PHE 17 56.564 45.241 59.229 118 HD1 PHE 17 HD1 PHE 17 57.773 47.076 57.391 119 HD2 PHE 17 HD2 PHE 17 58.771 43.014 58.014 120 HE1 PHE 17 HE1 PHE 17 58.750 46.873 55.055 121 HE2 PHE 17 HE2 PHE 17 59.723 42.827 55.711 122 HZ PHE 17 HZ PHE 17 59.715 44.748 54.207 123 H GLU 18 H GLU 18 59.434 44.570 61.423 124 HA GLU 18 HA GLU 18 57.598 44.336 63.653 125 1HB GLU 18 2HB GLU 18 60.734 44.010 63.503 126 2HB GLU 18 1HB GLU 18 59.560 43.227 64.672 127 1HG GLU 18 2HG GLU 18 58.498 42.060 62.663 128 2HG GLU 18 1HG GLU 18 60.008 42.693 61.674 129 H GLY 19 H GLY 19 60.161 46.688 63.095 130 1HA GLY 19 1HA GLY 19 60.149 47.117 66.058 131 2HA GLY 19 2HA GLY 19 61.007 48.197 64.880 132 H TYR 20 H TYR 20 58.357 48.353 63.236 133 HA TYR 20 HA TYR 20 57.320 50.718 64.622 134 1HB TYR 20 2HB TYR 20 57.344 49.887 62.046 135 2HB TYR 20 1HB TYR 20 55.780 49.074 62.544 136 HD1 TYR 20 HD1 TYR 20 55.872 50.959 60.430 137 HD2 TYR 20 HD2 TYR 20 55.384 51.580 64.624 138 HE1 TYR 20 HE1 TYR 20 54.575 53.006 59.921 139 HE2 TYR 20 HE2 TYR 20 54.097 53.571 64.288 140 HH TYR 20 HH TYR 20 52.559 54.392 62.017 141 H MET 21 H MET 21 56.664 47.309 64.401 142 HA MET 21 HA MET 21 54.034 47.340 65.688 143 1HB MET 21 2HB MET 21 55.387 45.533 64.127 144 2HB MET 21 1HB MET 21 56.152 45.098 65.641 145 1HG MET 21 2HG MET 21 53.117 45.406 65.649 146 2HG MET 21 1HG MET 21 53.669 44.080 64.676 147 1HE MET 21 1HE MET 21 56.299 42.402 66.931 148 2HE MET 21 2HE MET 21 55.618 42.852 65.262 149 3HE MET 21 3HE MET 21 54.982 41.512 66.079 150 H LYS 22 H LYS 22 57.261 47.433 66.580 151 HA LYS 22 HA LYS 22 56.742 46.851 69.394 152 1HB LYS 22 2HB LYS 22 59.027 46.096 68.175 153 2HB LYS 22 1HB LYS 22 59.449 47.850 68.108 154 1HG LYS 22 2HG LYS 22 60.003 47.977 70.198 155 2HG LYS 22 1HG LYS 22 58.582 47.022 70.804 156 1HD LYS 22 2HD LYS 22 60.716 45.691 71.271 157 2HD LYS 22 1HD LYS 22 59.743 44.847 69.985 158 1HE LYS 22 2HE LYS 22 61.187 45.968 68.198 159 2HE LYS 22 1HE LYS 22 62.037 46.894 69.507 160 1HZ LYS 22 1HZ LYS 22 62.850 44.880 70.398 161 2HZ LYS 22 2HZ LYS 22 63.163 44.846 68.723 162 3HZ LYS 22 3HZ LYS 22 61.989 43.919 69.365 163 H ALA 23 H ALA 23 56.653 49.483 67.420 164 HA ALA 23 HA ALA 23 57.358 51.375 69.490 165 1HB ALA 23 1HB ALA 23 56.027 53.049 68.092 166 2HB ALA 23 2HB ALA 23 55.620 51.690 66.945 167 3HB ALA 23 3HB ALA 23 57.365 52.199 67.150 168 H LEU 24 H LEU 24 54.802 49.462 68.747 169 HA LEU 24 HA LEU 24 53.449 49.647 71.211 170 1HB LEU 24 2HB LEU 24 51.317 50.653 70.615 171 2HB LEU 24 1HB LEU 24 52.583 51.906 70.253 172 HG LEU 24 HG LEU 24 51.025 50.178 68.236 173 1HD1 LEU 24 1HD1 LEU 24 50.856 52.858 69.318 174 2HD1 LEU 24 2HD1 LEU 24 49.711 52.040 68.248 175 3HD1 LEU 24 3HD1 LEU 24 51.150 52.905 67.507 176 1HD2 LEU 24 1HD2 LEU 24 53.445 50.231 67.437 177 2HD2 LEU 24 2HD2 LEU 24 53.405 52.049 67.627 178 3HD2 LEU 24 3HD2 LEU 24 52.314 51.223 66.459 179 H ASP 25 H ASP 25 52.662 47.841 71.491 180 HA ASP 25 HA ASP 25 52.525 45.787 69.446 181 1HB ASP 25 2HB ASP 25 51.656 46.051 72.420 182 2HB ASP 25 1HB ASP 25 51.346 44.509 71.450 183 H ILE 26 H ILE 26 51.383 46.958 68.028 184 HA ILE 26 HA ILE 26 48.551 47.473 68.505 185 HB ILE 26 HB ILE 26 49.826 48.789 66.952 186 1HG1 ILE 26 2HG1 ILE 26 47.947 47.269 65.063 187 2HG1 ILE 26 1HG1 ILE 26 47.326 48.201 66.520 188 1HG2 ILE 26 1HG2 ILE 26 49.870 46.326 65.107 189 2HG2 ILE 26 2HG2 ILE 26 51.350 46.914 66.002 190 3HG2 ILE 26 3HG2 ILE 26 50.572 47.992 64.776 191 1HD1 ILE 26 1HD1 ILE 26 47.352 49.904 64.834 192 2HD1 ILE 26 2HD1 ILE 26 48.939 49.322 64.143 193 3HD1 ILE 26 3HD1 ILE 26 48.941 50.071 65.741 194 H ASP 27 H ASP 27 50.378 45.077 66.589 195 HA ASP 27 HA ASP 27 49.113 42.737 67.273 196 1HB ASP 27 2HB ASP 27 47.241 44.362 65.610 197 2HB ASP 27 1HB ASP 27 47.734 42.726 64.839 198 H PHE 28 H PHE 28 49.714 40.926 65.880 199 HA PHE 28 HA PHE 28 52.120 41.656 64.384 200 1HB PHE 28 2HB PHE 28 50.516 39.008 64.495 201 2HB PHE 28 1HB PHE 28 52.273 39.248 64.050 202 HD1 PHE 28 HD1 PHE 28 52.755 41.381 66.232 203 HD2 PHE 28 HD2 PHE 28 50.920 37.521 66.257 204 HE1 PHE 28 HE1 PHE 28 53.355 41.150 68.653 205 HE2 PHE 28 HE2 PHE 28 51.509 37.230 68.679 206 HZ PHE 28 HZ PHE 28 52.744 39.094 69.875 207 H ALA 29 H ALA 29 48.774 40.768 63.663 208 HA ALA 29 HA ALA 29 49.194 40.270 60.763 209 1HB ALA 29 1HB ALA 29 46.768 41.078 62.589 210 2HB ALA 29 2HB ALA 29 47.200 39.397 62.119 211 3HB ALA 29 3HB ALA 29 46.579 40.605 60.858 212 H THR 30 H THR 30 48.791 42.951 62.815 213 HA THR 30 HA THR 30 47.796 44.837 60.918 214 HB THR 30 HB THR 30 49.359 45.325 63.516 215 HG1 THR 30 1HG THR 30 46.876 44.789 62.812 216 1HG2 THR 30 1HG2 THR 30 47.737 47.573 62.702 217 2HG2 THR 30 2HG2 THR 30 48.669 47.157 61.217 218 3HG2 THR 30 3HG2 THR 30 49.550 47.459 62.809 219 H ARG 31 H ARG 31 51.111 44.141 61.892 220 HA ARG 31 HA ARG 31 52.424 46.079 60.144 221 1HB ARG 31 2HB ARG 31 54.124 45.707 61.400 222 2HB ARG 31 1HB ARG 31 53.170 44.504 62.319 223 1HG ARG 31 2HG ARG 31 54.736 43.756 59.705 224 2HG ARG 31 1HG ARG 31 55.492 43.808 61.364 225 1HD ARG 31 2HD ARG 31 53.571 42.260 62.126 226 2HD ARG 31 1HD ARG 31 53.151 41.953 60.396 227 HE ARG 31 HE ARG 31 54.966 40.760 60.020 228 1HH1 ARG 31 2HH2 ARG 31 55.206 42.379 63.235 229 2HH1 ARG 31 1HH2 ARG 31 56.602 41.481 63.773 230 1HH2 ARG 31 2HH1 ARG 31 56.855 39.568 60.797 231 2HH2 ARG 31 1HH1 ARG 31 57.532 39.872 62.418 232 H LYS 32 H LYS 32 51.257 42.740 59.725 233 HA LYS 32 HA LYS 32 52.967 42.283 57.464 234 1HB LYS 32 2HB LYS 32 51.820 40.590 58.999 235 2HB LYS 32 1HB LYS 32 50.267 41.039 58.180 236 1HG LYS 32 2HG LYS 32 51.128 40.342 55.960 237 2HG LYS 32 1HG LYS 32 52.677 39.788 56.734 238 1HD LYS 32 2HD LYS 32 51.699 37.742 57.078 239 2HD LYS 32 1HD LYS 32 50.868 38.555 58.413 240 1HE LYS 32 2HE LYS 32 48.878 38.281 57.368 241 2HE LYS 32 1HE LYS 32 49.419 39.331 56.020 242 1HZ LYS 32 1HZ LYS 32 48.956 37.117 55.082 243 2HZ LYS 32 2HZ LYS 32 50.019 36.436 56.191 244 3HZ LYS 32 3HZ LYS 32 50.546 37.513 55.020 245 H ILE 33 H ILE 33 49.843 43.730 58.005 246 HA ILE 33 HA ILE 33 49.214 43.659 55.146 247 HB ILE 33 HB ILE 33 47.910 45.833 56.857 248 1HG1 ILE 33 2HG1 ILE 33 47.613 44.047 58.456 249 2HG1 ILE 33 1HG1 ILE 33 46.091 44.090 57.482 250 1HG2 ILE 33 1HG2 ILE 33 45.854 44.859 55.559 251 2HG2 ILE 33 2HG2 ILE 33 47.058 43.821 54.683 252 3HG2 ILE 33 3HG2 ILE 33 47.120 45.624 54.530 253 1HD1 ILE 33 1HD1 ILE 33 47.485 42.304 55.872 254 2HD1 ILE 33 2HD1 ILE 33 46.644 41.811 57.437 255 3HD1 ILE 33 3HD1 ILE 33 48.437 42.114 57.379 256 H ALA 34 H ALA 34 50.320 45.950 57.606 257 HA ALA 34 HA ALA 34 50.610 48.321 55.941 258 1HB ALA 34 1HB ALA 34 51.324 49.188 58.042 259 2HB ALA 34 2HB ALA 34 52.681 47.996 57.997 260 3HB ALA 34 3HB ALA 34 51.125 47.521 58.750 261 H VAL 35 H VAL 35 52.414 45.421 56.330 262 HA VAL 35 HA VAL 35 55.063 46.275 55.623 263 HB VAL 35 HB VAL 35 53.557 43.793 55.914 264 1HG1 VAL 35 1HG1 VAL 35 54.025 43.463 53.522 265 2HG1 VAL 35 2HG1 VAL 35 55.236 42.446 54.447 266 3HG1 VAL 35 3HG1 VAL 35 55.757 43.977 53.699 267 1HG2 VAL 35 1HG2 VAL 35 55.714 43.064 56.930 268 2HG2 VAL 35 2HG2 VAL 35 55.406 44.784 57.350 269 3HG2 VAL 35 3HG2 VAL 35 56.567 44.359 55.972 270 H ARG 36 H ARG 36 52.354 45.250 53.736 271 HA ARG 36 HA ARG 36 53.878 45.952 51.159 272 1HB ARG 36 2HB ARG 36 53.263 44.042 50.191 273 2HB ARG 36 1HB ARG 36 52.922 43.453 51.870 274 1HG ARG 36 2HG ARG 36 50.709 44.664 50.091 275 2HG ARG 36 1HG ARG 36 51.066 42.916 50.394 276 1HD ARG 36 2HD ARG 36 51.016 43.447 52.905 277 2HD ARG 36 1HD ARG 36 50.207 45.003 52.441 278 HE ARG 36 HE ARG 36 48.416 43.638 51.287 279 1HH1 ARG 36 1HH2 ARG 36 50.573 41.649 53.491 280 2HH1 ARG 36 2HH2 ARG 36 49.337 40.374 53.550 281 1HH2 ARG 36 2HH1 ARG 36 47.051 42.020 51.452 282 2HH2 ARG 36 1HH1 ARG 36 47.459 40.571 52.433 283 H LEU 37 H LEU 37 51.348 46.917 53.152 284 HA LEU 37 HA LEU 37 49.456 47.439 51.083 285 1HB LEU 37 2HB LEU 37 49.911 48.429 53.941 286 2HB LEU 37 1HB LEU 37 49.119 49.625 52.811 287 HG LEU 37 HG LEU 37 48.084 46.800 53.310 288 1HD1 LEU 37 1HD1 LEU 37 46.401 47.765 54.584 289 2HD1 LEU 37 2HD1 LEU 37 46.552 49.354 53.746 290 3HD1 LEU 37 3HD1 LEU 37 47.768 48.873 55.026 291 1HD2 LEU 37 1HD2 LEU 37 46.148 48.167 51.867 292 2HD2 LEU 37 2HD2 LEU 37 47.484 47.267 51.031 293 3HD2 LEU 37 3HD2 LEU 37 47.656 49.032 51.288 294 H THR 38 H THR 38 49.680 48.483 49.350 295 HA THR 38 HA THR 38 51.536 50.787 49.224 296 HB THR 38 HB THR 38 51.063 50.394 46.686 297 HG1 THR 38 1HG THR 38 49.922 48.643 46.138 298 1HG2 THR 38 1HG2 THR 38 52.902 48.931 46.757 299 2HG2 THR 38 2HG2 THR 38 51.935 47.578 47.394 300 3HG2 THR 38 3HG2 THR 38 52.650 48.791 48.557 301 H GLN 39 H GLN 39 48.460 50.288 50.049 302 HA GLN 39 HA GLN 39 46.462 51.446 49.259 303 1HB GLN 39 2HB GLN 39 46.711 53.270 51.247 304 2HB GLN 39 1HB GLN 39 46.564 51.424 51.441 305 1HG GLN 39 2HG GLN 39 48.882 51.236 51.828 306 2HG GLN 39 1HG GLN 39 49.290 52.846 51.014 307 1HE2 GLN 39 2HE2 GLN 39 50.070 51.813 53.672 308 2HE2 GLN 39 1HE2 GLN 39 49.491 53.048 54.799 309 H THR 40 H THR 40 48.086 54.308 50.342 310 HA THR 40 HA THR 40 48.766 55.695 48.184 311 HB THR 40 HB THR 40 45.688 55.756 48.485 312 HG1 THR 40 1HG THR 40 45.754 55.516 46.343 313 1HG2 THR 40 1HG2 THR 40 45.842 57.735 46.864 314 2HG2 THR 40 2HG2 THR 40 47.647 57.782 47.156 315 3HG2 THR 40 3HG2 THR 40 46.477 58.207 48.495 316 H LYS 41 H LYS 41 49.076 57.857 48.559 317 HA LYS 41 HA LYS 41 47.940 58.969 51.138 318 1HB LYS 41 2HB LYS 41 50.156 57.520 51.494 319 2HB LYS 41 1HB LYS 41 50.970 58.953 50.764 320 1HG LYS 41 2HG LYS 41 48.975 59.547 52.978 321 2HG LYS 41 1HG LYS 41 50.385 58.542 53.468 322 1HD LYS 41 2HD LYS 41 50.525 61.208 51.890 323 2HD LYS 41 1HD LYS 41 50.682 61.208 53.691 324 1HE LYS 41 2HE LYS 41 52.481 59.791 51.664 325 2HE LYS 41 1HE LYS 41 52.801 61.395 52.557 326 1HZ LYS 41 1HZ LYS 41 52.108 59.329 54.355 327 2HZ LYS 41 2HZ LYS 41 53.660 60.019 54.166 328 3HZ LYS 41 3HZ LYS 41 53.257 58.657 53.366 329 H ILE 42 H ILE 42 48.357 61.217 51.436 330 HA ILE 42 HA ILE 42 49.893 62.634 49.375 331 HB ILE 42 HB ILE 42 48.241 62.335 47.727 332 1HG1 ILE 42 2HG1 ILE 42 46.516 64.379 49.077 333 2HG1 ILE 42 1HG1 ILE 42 48.232 64.876 48.694 334 1HG2 ILE 42 1HG2 ILE 42 45.695 62.458 48.517 335 2HG2 ILE 42 2HG2 ILE 42 46.407 61.874 50.063 336 3HG2 ILE 42 3HG2 ILE 42 46.613 60.925 48.532 337 1HD1 ILE 42 1HD1 ILE 42 45.875 64.732 46.955 338 2HD1 ILE 42 2HD1 ILE 42 46.960 63.411 46.453 339 3HD1 ILE 42 3HD1 ILE 42 47.562 65.146 46.445 340 H ILE 43 H ILE 43 50.633 64.288 50.293 341 HA ILE 43 HA ILE 43 49.345 65.572 52.646 342 HB ILE 43 HB ILE 43 51.923 66.134 51.165 343 1HG1 ILE 43 2HG1 ILE 43 51.479 64.258 53.604 344 2HG1 ILE 43 1HG1 ILE 43 51.638 63.624 51.911 345 1HG2 ILE 43 1HG2 ILE 43 51.702 67.807 52.784 346 2HG2 ILE 43 2HG2 ILE 43 52.591 66.564 53.760 347 3HG2 ILE 43 3HG2 ILE 43 50.756 66.695 53.901 348 1HD1 ILE 43 1HD1 ILE 43 53.811 65.473 52.400 349 2HD1 ILE 43 2HD1 ILE 43 53.941 63.662 52.301 350 3HD1 ILE 43 3HD1 ILE 43 53.730 64.453 53.896 351 H VAL 44 H VAL 44 49.483 67.875 52.838 352 HA VAL 44 HA VAL 44 49.840 69.486 50.364 353 HB VAL 44 HB VAL 44 47.694 68.379 49.911 354 1HG1 VAL 44 1HG1 VAL 44 47.151 68.286 52.527 355 2HG1 VAL 44 2HG1 VAL 44 45.816 68.265 51.229 356 3HG1 VAL 44 3HG1 VAL 44 46.223 69.758 52.114 357 1HG2 VAL 44 1HG2 VAL 44 48.004 71.362 50.160 358 2HG2 VAL 44 2HG2 VAL 44 46.313 70.882 50.467 359 3HG2 VAL 44 3HG2 VAL 44 47.101 70.439 48.873 360 H GLN 45 H GLN 45 51.240 70.391 51.917 361 HA GLN 45 HA GLN 45 49.989 71.734 54.167 362 1HB GLN 45 2HB GLN 45 52.291 72.315 54.729 363 2HB GLN 45 1HB GLN 45 52.342 70.577 54.145 364 1HG GLN 45 2HG GLN 45 53.853 71.219 52.538 365 2HG GLN 45 1HG GLN 45 52.452 72.223 51.830 366 1HE2 GLN 45 2HE2 GLN 45 53.283 74.014 51.379 367 2HE2 GLN 45 1HE2 GLN 45 54.304 75.104 52.528 368 H ASP 46 H ASP 46 50.882 73.755 54.859 369 HA ASP 46 HA ASP 46 50.962 75.651 52.587 370 1HB ASP 46 2HB ASP 46 48.535 75.014 53.207 371 2HB ASP 46 1HB ASP 46 48.722 76.114 54.677 372 H GLY 47 H GLY 47 52.911 75.115 54.514 373 1HA GLY 47 1HA GLY 47 54.483 76.673 55.486 374 2HA GLY 47 2HA GLY 47 53.120 77.964 55.529 375 H ASP 48 H ASP 48 51.898 75.298 56.642 376 HA ASP 48 HA ASP 48 52.952 74.967 59.333 377 1HB ASP 48 2HB ASP 48 51.230 77.308 58.727 378 2HB ASP 48 1HB ASP 48 50.441 76.194 60.017 379 H ASN 49 H ASN 49 49.575 75.454 58.360 380 HA ASN 49 HA ASN 49 48.796 72.887 59.551 381 1HB ASN 49 2HB ASN 49 46.433 73.621 58.701 382 2HB ASN 49 1HB ASN 49 47.309 74.760 59.878 383 1HD2 ASN 49 1HD2 ASN 49 45.842 74.286 56.926 384 2HD2 ASN 49 2HD2 ASN 49 46.292 75.953 56.191 385 H PHE 50 H PHE 50 49.762 71.247 58.350 386 HA PHE 50 HA PHE 50 48.826 70.906 55.525 387 1HB PHE 50 2HB PHE 50 50.770 69.754 55.068 388 2HB PHE 50 1HB PHE 50 51.370 71.065 56.187 389 HD1 PHE 50 HD1 PHE 50 52.064 70.722 58.410 390 HD2 PHE 50 HD2 PHE 50 50.550 67.462 55.938 391 HE1 PHE 50 HE1 PHE 50 52.918 68.975 60.082 392 HE2 PHE 50 HE2 PHE 50 51.401 65.819 57.609 393 HZ PHE 50 HZ PHE 50 52.564 66.627 59.635 394 H LYS 51 H LYS 51 48.519 68.646 54.783 395 HA LYS 51 HA LYS 51 47.745 66.880 56.972 396 1HB LYS 51 2HB LYS 51 45.308 66.859 56.083 397 2HB LYS 51 1HB LYS 51 45.876 68.165 57.229 398 1HG LYS 51 2HG LYS 51 44.795 69.525 55.570 399 2HG LYS 51 1HG LYS 51 46.359 69.288 54.651 400 1HD LYS 51 2HD LYS 51 45.468 67.530 53.384 401 2HD LYS 51 1HD LYS 51 44.139 67.181 54.592 402 1HE LYS 51 2HE LYS 51 44.333 69.829 53.198 403 2HE LYS 51 1HE LYS 51 43.471 68.385 52.387 404 1HZ LYS 51 1HZ LYS 51 41.877 69.709 53.685 405 2HZ LYS 51 2HZ LYS 51 42.872 69.770 54.985 406 3HZ LYS 51 3HZ LYS 51 42.172 68.300 54.526 407 H THR 52 H THR 52 47.484 64.939 56.589 408 HA THR 52 HA THR 52 47.489 63.923 53.713 409 HB THR 52 HB THR 52 49.623 63.484 54.253 410 HG1 THR 52 1HG THR 52 49.147 61.417 55.766 411 1HG2 THR 52 1HG2 THR 52 49.537 64.711 56.578 412 2HG2 THR 52 2HG2 THR 52 50.540 63.172 56.622 413 3HG2 THR 52 3HG2 THR 52 48.926 63.165 57.322 414 H LYS 53 H LYS 53 46.686 61.782 53.410 415 HA LYS 53 HA LYS 53 45.350 60.592 55.772 416 1HB LYS 53 2HB LYS 53 43.587 60.785 53.220 417 2HB LYS 53 1HB LYS 53 43.073 60.822 54.945 418 1HG LYS 53 2HG LYS 53 42.589 62.904 54.060 419 2HG LYS 53 1HG LYS 53 44.166 63.186 55.018 420 1HD LYS 53 2HD LYS 53 45.238 63.892 53.265 421 2HD LYS 53 1HD LYS 53 44.708 62.389 52.319 422 1HE LYS 53 2HE LYS 53 42.687 63.513 51.458 423 2HE LYS 53 1HE LYS 53 42.961 64.939 52.587 424 1HZ LYS 53 1HZ LYS 53 45.182 64.998 51.251 425 2HZ LYS 53 2HZ LYS 53 43.826 65.727 50.702 426 3HZ LYS 53 3HZ LYS 53 44.273 64.253 50.065 427 H THR 54 H THR 54 46.038 58.671 55.717 428 HA THR 54 HA THR 54 47.074 57.265 53.431 429 HB THR 54 HB THR 54 47.343 55.386 54.950 430 HG1 THR 54 1HG THR 54 46.951 55.977 57.252 431 1HG2 THR 54 1HG2 THR 54 49.288 56.246 55.762 432 2HG2 THR 54 2HG2 THR 54 48.486 57.554 56.701 433 3HG2 THR 54 3HG2 THR 54 48.828 57.809 54.971 434 H ASN 55 H ASN 55 46.207 55.591 52.179 435 HA ASN 55 HA ASN 55 43.325 54.885 52.737 436 1HB ASN 55 2HB ASN 55 44.385 56.192 50.627 437 2HB ASN 55 1HB ASN 55 44.410 54.407 49.990 438 1HD2 ASN 55 1HD2 ASN 55 42.420 53.418 51.278 439 2HD2 ASN 55 2HD2 ASN 55 40.785 54.190 50.839 440 H SER 56 H SER 56 45.269 53.644 54.188 441 HA SER 56 HA SER 56 46.459 51.277 53.307 442 1HB SER 56 2HB SER 56 45.154 52.275 55.810 443 2HB SER 56 1HB SER 56 45.590 50.442 55.647 444 HG SER 56 HG SER 56 47.541 50.885 55.740 445 H THR 57 H THR 57 43.426 51.322 54.935 446 HA THR 57 HA THR 57 41.295 50.469 53.893 447 HB THR 57 HB THR 57 41.371 47.980 53.357 448 HG1 THR 57 1HG THR 57 43.840 47.921 52.373 449 1HG2 THR 57 1HG2 THR 57 42.042 50.329 51.723 450 2HG2 THR 57 2HG2 THR 57 41.098 48.904 51.186 451 3HG2 THR 57 3HG2 THR 57 42.864 48.849 50.993 452 H PHE 58 H PHE 58 43.942 48.655 55.248 453 HA PHE 58 HA PHE 58 42.480 47.310 57.257 454 1HB PHE 58 2HB PHE 58 45.237 47.448 56.634 455 2HB PHE 58 1HB PHE 58 45.157 48.173 58.282 456 HD1 PHE 58 HD1 PHE 58 43.377 45.305 56.579 457 HD2 PHE 58 HD2 PHE 58 45.621 46.729 59.943 458 HE1 PHE 58 HE1 PHE 58 43.185 43.053 57.671 459 HE2 PHE 58 HE2 PHE 58 45.452 44.539 61.006 460 HZ PHE 58 HZ PHE 58 44.252 42.667 59.936 461 H ARG 59 H ARG 59 44.594 50.258 57.728 462 HA ARG 59 HA ARG 59 42.487 51.297 59.666 463 1HB ARG 59 2HB ARG 59 45.244 51.669 60.773 464 2HB ARG 59 1HB ARG 59 43.706 51.226 61.623 465 1HG ARG 59 2HG ARG 59 44.434 48.867 60.181 466 2HG ARG 59 1HG ARG 59 45.980 49.691 60.777 467 1HD ARG 59 2HD ARG 59 45.059 48.060 62.498 468 2HD ARG 59 1HD ARG 59 45.023 49.758 63.043 469 HE ARG 59 HE ARG 59 42.550 49.388 61.789 470 1HH1 ARG 59 2HH2 ARG 59 44.533 48.116 64.525 471 2HH1 ARG 59 1HH2 ARG 59 43.152 47.780 65.536 472 1HH2 ARG 59 2HH1 ARG 59 40.734 48.884 63.240 473 2HH2 ARG 59 1HH1 ARG 59 40.992 48.215 64.840 474 H ASN 60 H ASN 60 41.975 52.610 58.224 475 HA ASN 60 HA ASN 60 43.763 54.387 56.851 476 1HB ASN 60 2HB ASN 60 41.803 55.919 56.776 477 2HB ASN 60 1HB ASN 60 41.221 54.195 56.407 478 1HD2 ASN 60 2HD2 ASN 60 41.521 56.855 58.698 479 2HD2 ASN 60 1HD2 ASN 60 40.175 56.342 59.756 480 H TYR 61 H TYR 61 44.810 56.120 57.456 481 HA TYR 61 HA TYR 61 44.209 57.145 60.193 482 1HB TYR 61 2HB TYR 61 46.009 55.367 60.316 483 2HB TYR 61 1HB TYR 61 47.027 56.357 59.156 484 HD1 TYR 61 HD1 TYR 61 48.810 57.192 60.085 485 HD2 TYR 61 HD2 TYR 61 45.095 57.266 62.326 486 HE1 TYR 61 HE1 TYR 61 49.939 58.472 61.865 487 HE2 TYR 61 HE2 TYR 61 46.288 58.558 64.139 488 HH TYR 61 HH TYR 61 49.044 60.136 63.680 489 H ASP 62 H ASP 62 44.581 59.346 60.511 490 HA ASP 62 HA ASP 62 45.776 60.887 58.198 491 1HB ASP 62 2HB ASP 62 43.758 61.990 60.199 492 2HB ASP 62 1HB ASP 62 44.055 62.391 58.398 493 H LEU 63 H LEU 63 47.350 62.072 58.499 494 HA LEU 63 HA LEU 63 48.231 62.571 61.332 495 1HB LEU 63 2HB LEU 63 49.619 61.483 59.217 496 2HB LEU 63 1HB LEU 63 50.116 63.220 59.002 497 HG LEU 63 HG LEU 63 51.761 62.002 60.481 498 1HD1 LEU 63 1HD1 LEU 63 51.830 63.399 62.313 499 2HD1 LEU 63 2HD1 LEU 63 50.020 63.621 62.364 500 3HD1 LEU 63 3HD1 LEU 63 51.047 64.411 61.089 501 1HD2 LEU 63 1HD2 LEU 63 49.153 60.867 61.560 502 2HD2 LEU 63 2HD2 LEU 63 50.459 61.197 62.746 503 3HD2 LEU 63 3HD2 LEU 63 50.777 60.116 61.272 504 H ASP 64 H ASP 64 46.144 64.200 60.657 505 HA ASP 64 HA ASP 64 47.083 66.704 59.424 506 1HB ASP 64 2HB ASP 64 44.748 65.952 59.538 507 2HB ASP 64 1HB ASP 64 44.795 66.171 61.426 508 H PHE 65 H PHE 65 48.870 67.634 60.161 509 HA PHE 65 HA PHE 65 48.644 68.550 63.002 510 1HB PHE 65 2HB PHE 65 50.003 66.491 63.043 511 2HB PHE 65 1HB PHE 65 50.999 67.152 61.683 512 HD1 PHE 65 HD1 PHE 65 49.699 68.496 64.980 513 HD2 PHE 65 HD2 PHE 65 53.068 67.750 62.352 514 HE1 PHE 65 HE1 PHE 65 51.200 69.582 66.637 515 HE2 PHE 65 HE2 PHE 65 54.509 68.827 64.013 516 HZ PHE 65 HZ PHE 65 53.637 69.728 66.104 517 H THR 66 H THR 66 49.909 70.323 63.359 518 HA THR 66 HA THR 66 50.363 72.208 61.068 519 HB THR 66 HB THR 66 50.423 72.597 64.141 520 HG1 THR 66 1HG THR 66 48.400 72.288 62.307 521 1HG2 THR 66 1HG2 THR 66 49.432 74.967 63.277 522 2HG2 THR 66 2HG2 THR 66 50.053 74.413 61.649 523 3HG2 THR 66 3HG2 THR 66 51.203 74.629 62.969 524 H VAL 67 H VAL 67 52.381 73.091 60.676 525 HA VAL 67 HA VAL 67 54.645 71.446 61.822 526 HB VAL 67 HB VAL 67 54.886 73.967 60.129 527 1HG1 VAL 67 1HG1 VAL 67 56.519 71.389 59.893 528 2HG1 VAL 67 2HG1 VAL 67 56.874 72.645 61.198 529 3HG1 VAL 67 3HG1 VAL 67 56.941 73.131 59.452 530 1HG2 VAL 67 1HG2 VAL 67 53.522 71.485 59.416 531 2HG2 VAL 67 2HG2 VAL 67 55.052 71.546 58.457 532 3HG2 VAL 67 3HG2 VAL 67 53.785 72.914 58.419 533 H GLY 68 H GLY 68 55.264 71.636 63.673 534 1HA GLY 68 1HA GLY 68 56.835 72.861 65.055 535 2HA GLY 68 2HA GLY 68 56.220 74.442 64.371 536 H VAL 69 H VAL 69 53.397 73.500 64.743 537 HA VAL 69 HA VAL 69 53.253 74.454 67.620 538 HB VAL 69 HB VAL 69 50.988 73.803 65.631 539 1HG1 VAL 69 1HG1 VAL 69 49.588 74.910 66.908 540 2HG1 VAL 69 2HG1 VAL 69 50.772 76.037 67.600 541 3HG1 VAL 69 3HG1 VAL 69 50.757 74.301 68.182 542 1HG2 VAL 69 1HG2 VAL 69 52.609 75.307 64.455 543 2HG2 VAL 69 2HG2 VAL 69 52.758 76.340 65.891 544 3HG2 VAL 69 3HG2 VAL 69 51.195 76.344 64.909 545 H GLU 70 H GLU 70 54.097 72.715 68.508 546 HA GLU 70 HA GLU 70 53.160 70.089 67.941 547 1HB GLU 70 2HB GLU 70 53.733 69.395 70.337 548 2HB GLU 70 1HB GLU 70 55.112 70.160 69.408 549 1HG GLU 70 2HG GLU 70 54.902 72.268 70.444 550 2HG GLU 70 1HG GLU 70 53.443 71.616 71.470 551 H PHE 71 H PHE 71 51.883 68.690 68.953 552 HA PHE 71 HA PHE 71 49.873 69.578 70.892 553 1HB PHE 71 2HB PHE 71 48.337 70.641 69.820 554 2HB PHE 71 1HB PHE 71 49.367 70.681 68.333 555 HD1 PHE 71 HD1 PHE 71 46.200 69.767 69.488 556 HD2 PHE 71 HD2 PHE 71 49.311 68.458 66.877 557 HE1 PHE 71 HE1 PHE 71 44.559 68.450 68.186 558 HE2 PHE 71 HE2 PHE 71 47.671 67.159 65.572 559 HZ PHE 71 HZ PHE 71 45.237 67.142 66.231 560 H ASP 72 H ASP 72 48.439 68.151 71.576 561 HA ASP 72 HA ASP 72 49.094 65.407 70.913 562 1HB ASP 72 2HB ASP 72 46.944 66.841 72.605 563 2HB ASP 72 1HB ASP 72 46.983 64.966 72.486 564 H GLU 73 H GLU 73 47.996 63.831 70.092 565 HA GLU 73 HA GLU 73 45.439 64.371 68.479 566 1HB GLU 73 2HB GLU 73 48.221 63.571 67.695 567 2HB GLU 73 1HB GLU 73 47.063 62.303 67.262 568 1HG GLU 73 2HG GLU 73 46.113 65.140 66.814 569 2HG GLU 73 1HG GLU 73 47.573 64.557 65.760 570 H HIS 74 H HIS 74 45.073 62.021 67.514 571 HA HIS 74 HA HIS 74 45.243 60.105 69.771 572 1HB HIS 74 2HB HIS 74 42.951 61.759 69.288 573 2HB HIS 74 1HB HIS 74 42.530 60.167 68.511 574 HD1 HIS 74 HD1 HIS 74 41.303 61.286 71.309 575 HD2 HIS 74 HD2 HIS 74 44.430 58.498 70.701 576 HE1 HIS 74 HE1 HIS 74 41.399 59.891 73.448 577 HE2 HIS 74 HE2 HIS 74 43.276 58.200 73.066 578 H THR 75 H THR 75 45.808 58.320 69.138 579 HA THR 75 HA THR 75 45.551 57.393 66.334 580 HB THR 75 HB THR 75 47.250 55.620 67.491 581 HG1 THR 75 1HG THR 75 48.292 57.451 68.976 582 1HG2 THR 75 1HG2 THR 75 47.430 57.909 65.917 583 2HG2 THR 75 2HG2 THR 75 48.889 57.006 66.454 584 3HG2 THR 75 3HG2 THR 75 48.372 58.501 67.372 585 H LYS 76 H LYS 76 43.406 57.412 68.172 586 HA LYS 76 HA LYS 76 42.966 54.797 69.370 587 1HB LYS 76 2HB LYS 76 41.386 57.324 68.985 588 2HB LYS 76 1HB LYS 76 40.441 55.791 69.132 589 1HG LYS 76 2HG LYS 76 42.034 55.119 71.059 590 2HG LYS 76 1HG LYS 76 42.588 56.890 70.984 591 1HD LYS 76 2HD LYS 76 40.099 55.655 72.028 592 2HD LYS 76 1HD LYS 76 41.058 57.121 72.605 593 1HE LYS 76 2HE LYS 76 40.185 58.409 70.604 594 2HE LYS 76 1HE LYS 76 39.170 57.021 70.126 595 1HZ LYS 76 1HZ LYS 76 38.133 58.844 71.549 596 2HZ LYS 76 2HZ LYS 76 38.842 58.122 72.866 597 3HZ LYS 76 3HZ LYS 76 37.785 57.266 71.866 598 H GLY 77 H GLY 77 43.298 53.296 68.158 599 1HA GLY 77 1HA GLY 77 41.538 51.742 66.827 600 2HA GLY 77 2HA GLY 77 41.845 52.990 65.526 601 H LEU 78 H LEU 78 44.331 53.550 66.321 602 HA LEU 78 HA LEU 78 45.895 51.387 64.952 603 1HB LEU 78 2HB LEU 78 46.223 54.361 65.446 604 2HB LEU 78 1HB LEU 78 47.673 53.387 65.010 605 HG LEU 78 HG LEU 78 45.691 52.467 63.241 606 1HD1 LEU 78 1HD1 LEU 78 44.163 53.871 62.687 607 2HD1 LEU 78 2HD1 LEU 78 45.303 55.306 62.605 608 3HD1 LEU 78 3HD1 LEU 78 44.553 54.782 64.196 609 1HD2 LEU 78 1HD2 LEU 78 46.901 54.167 61.566 610 2HD2 LEU 78 2HD2 LEU 78 47.963 52.959 62.355 611 3HD2 LEU 78 3HD2 LEU 78 47.957 54.610 63.005 612 H ASP 79 H ASP 79 45.008 51.435 67.823 613 HA ASP 79 HA ASP 79 45.722 50.801 69.793 614 1HB ASP 79 2HB ASP 79 47.739 49.621 67.888 615 2HB ASP 79 1HB ASP 79 48.146 49.523 69.704 616 H GLY 80 H GLY 80 46.759 53.516 68.600 617 1HA GLY 80 1HA GLY 80 49.226 53.811 70.243 618 2HA GLY 80 2HA GLY 80 48.537 54.982 68.988 619 H ARG 81 H ARG 81 46.090 54.930 69.767 620 HA ARG 81 HA ARG 81 44.630 56.302 70.875 621 1HB ARG 81 2HB ARG 81 44.543 55.486 73.516 622 2HB ARG 81 1HB ARG 81 43.940 54.461 72.127 623 1HG ARG 81 2HG ARG 81 46.220 53.374 71.968 624 2HG ARG 81 1HG ARG 81 46.761 54.270 73.421 625 1HD ARG 81 2HD ARG 81 46.125 52.230 74.311 626 2HD ARG 81 1HD ARG 81 44.442 52.976 74.372 627 HE ARG 81 HE ARG 81 44.876 51.863 71.788 628 1HH1 ARG 81 1HH1 ARG 81 44.282 50.882 75.257 629 2HH1 ARG 81 2HH1 ARG 81 43.486 49.403 74.829 630 1HH2 ARG 81 1HH2 ARG 81 43.823 49.912 71.304 631 2HH2 ARG 81 2HH2 ARG 81 43.197 48.808 72.534 632 H ASN 82 H ASN 82 47.697 57.360 71.151 633 HA ASN 82 HA ASN 82 46.885 59.748 72.154 634 1HB ASN 82 2HB ASN 82 46.859 59.541 74.463 635 2HB ASN 82 1HB ASN 82 47.476 57.746 74.368 636 1HD2 ASN 82 2HD2 ASN 82 49.358 57.347 74.979 637 2HD2 ASN 82 1HD2 ASN 82 50.624 58.459 75.421 638 H VAL 83 H VAL 83 48.262 61.123 71.711 639 HA VAL 83 HA VAL 83 51.159 60.672 71.701 640 HB VAL 83 HB VAL 83 51.529 61.238 69.372 641 1HG1 VAL 83 1HG1 VAL 83 51.227 58.799 70.014 642 2HG1 VAL 83 2HG1 VAL 83 50.865 59.119 68.311 643 3HG1 VAL 83 3HG1 VAL 83 49.486 58.921 69.516 644 1HG2 VAL 83 1HG2 VAL 83 48.431 61.463 69.452 645 2HG2 VAL 83 2HG2 VAL 83 49.175 60.983 67.887 646 3HG2 VAL 83 3HG2 VAL 83 49.657 62.559 68.693 647 H LYS 84 H LYS 84 52.362 62.310 70.872 648 HA LYS 84 HA LYS 84 51.339 65.086 70.934 649 1HB LYS 84 2HB LYS 84 53.782 64.226 72.557 650 2HB LYS 84 1HB LYS 84 52.937 65.878 72.461 651 1HG LYS 84 2HG LYS 84 51.741 65.253 74.308 652 2HG LYS 84 1HG LYS 84 50.901 64.101 73.113 653 1HD LYS 84 2HD LYS 84 52.478 62.388 73.477 654 2HD LYS 84 1HD LYS 84 53.429 63.360 74.688 655 1HE LYS 84 2HE LYS 84 50.395 62.994 75.065 656 2HE LYS 84 1HE LYS 84 51.465 61.529 75.306 657 1HZ LYS 84 1HZ LYS 84 52.775 63.480 76.721 658 2HZ LYS 84 2HZ LYS 84 51.749 62.299 77.358 659 3HZ LYS 84 3HZ LYS 84 51.215 63.836 77.065 660 H THR 85 H THR 85 51.719 65.449 68.962 661 HA THR 85 HA THR 85 54.197 64.663 67.551 662 HB THR 85 HB THR 85 51.512 65.854 66.877 663 HG1 THR 85 1HG THR 85 51.206 63.926 67.464 664 1HG2 THR 85 1HG2 THR 85 54.042 65.048 65.326 665 2HG2 THR 85 2HG2 THR 85 52.834 66.234 64.760 666 3HG2 THR 85 3HG2 THR 85 52.528 64.414 64.542 667 H LEU 86 H LEU 86 55.692 65.779 66.830 668 HA LEU 86 HA LEU 86 55.503 68.720 66.816 669 1HB LEU 86 2HB LEU 86 56.680 68.005 68.963 670 2HB LEU 86 1HB LEU 86 57.974 67.182 67.924 671 HG LEU 86 HG LEU 86 57.366 70.184 67.501 672 1HD1 LEU 86 1HD1 LEU 86 58.011 69.398 70.010 673 2HD1 LEU 86 2HD1 LEU 86 58.934 70.734 69.257 674 3HD1 LEU 86 3HD1 LEU 86 59.660 69.109 69.195 675 1HD2 LEU 86 1HD2 LEU 86 58.738 69.385 65.778 676 2HD2 LEU 86 2HD2 LEU 86 59.332 67.989 66.778 677 3HD2 LEU 86 3HD2 LEU 86 59.974 69.660 67.082 678 H VAL 87 H VAL 87 56.127 69.477 64.974 679 HA VAL 87 HA VAL 87 58.042 67.947 63.308 680 HB VAL 87 HB VAL 87 55.379 69.299 62.365 681 1HG1 VAL 87 1HG1 VAL 87 57.224 67.567 60.613 682 2HG1 VAL 87 2HG1 VAL 87 57.431 69.307 60.755 683 3HG1 VAL 87 3HG1 VAL 87 55.847 68.696 60.150 684 1HG2 VAL 87 1HG2 VAL 87 54.785 66.894 61.773 685 2HG2 VAL 87 2HG2 VAL 87 55.108 67.028 63.563 686 3HG2 VAL 87 3HG2 VAL 87 56.344 66.336 62.406 687 H THR 88 H THR 88 59.392 69.091 62.007 688 HA THR 88 HA THR 88 59.044 71.989 61.781 689 HB THR 88 HB THR 88 61.251 70.542 63.369 690 HG1 THR 88 1HG THR 88 59.564 70.845 64.601 691 1HG2 THR 88 1HG2 THR 88 60.915 73.499 62.437 692 2HG2 THR 88 2HG2 THR 88 62.263 72.464 62.027 693 3HG2 THR 88 3HG2 THR 88 62.079 72.991 63.783 694 H TRP 89 H TRP 89 59.801 72.447 59.851 695 HA TRP 89 HA TRP 89 61.057 70.690 57.892 696 1HB TRP 89 2HB TRP 89 61.162 73.796 58.188 697 2HB TRP 89 1HB TRP 89 61.880 72.985 56.785 698 HD1 TRP 89 HD1 TRP 89 58.516 73.822 58.478 699 HE1 TRP 89 HE1 TRP 89 56.674 73.294 56.899 700 HE3 TRP 89 HE3 TRP 89 61.287 71.553 55.009 701 HZ2 TRP 89 HZ2 TRP 89 56.463 71.930 54.227 702 HZ3 TRP 89 HZ3 TRP 89 60.384 70.648 53.000 703 HH2 TRP 89 HH2 TRP 89 57.954 70.854 52.625 704 H GLU 90 H GLU 90 63.050 70.083 57.401 705 HA GLU 90 HA GLU 90 65.056 71.281 59.305 706 1HB GLU 90 2HB GLU 90 63.987 68.580 58.931 707 2HB GLU 90 1HB GLU 90 65.791 68.622 58.745 708 1HG GLU 90 2HG GLU 90 65.020 70.162 61.218 709 2HG GLU 90 1HG GLU 90 64.214 68.454 61.108 710 H GLY 91 H GLY 91 64.290 71.683 56.495 711 1HA GLY 91 1HA GLY 91 65.760 72.591 54.835 712 2HA GLY 91 2HA GLY 91 66.986 71.271 55.229 713 H ASN 92 H ASN 92 63.956 72.167 53.937 714 HA ASN 92 HA ASN 92 62.297 71.252 52.667 715 1HB ASN 92 2HB ASN 92 63.033 69.921 50.576 716 2HB ASN 92 1HB ASN 92 63.876 71.563 50.869 717 1HD2 ASN 92 1HD2 ASN 92 65.734 71.786 51.324 718 2HD2 ASN 92 2HD2 ASN 92 66.981 70.535 51.312 719 H THR 93 H THR 93 62.605 70.038 54.953 720 HA THR 93 HA THR 93 61.772 67.223 54.455 721 HB THR 93 HB THR 93 63.495 67.963 56.929 722 HG1 THR 93 1HG THR 93 64.683 68.528 55.300 723 1HG2 THR 93 1HG2 THR 93 64.084 65.500 56.795 724 2HG2 THR 93 2HG2 THR 93 63.299 65.438 55.144 725 3HG2 THR 93 3HG2 THR 93 62.300 65.532 56.617 726 H LEU 94 H LEU 94 61.682 67.361 57.695 727 HA LEU 94 HA LEU 94 59.759 69.219 58.363 728 1HB LEU 94 2HB LEU 94 57.683 67.628 58.447 729 2HB LEU 94 1HB LEU 94 58.105 68.379 56.855 730 HG LEU 94 HG LEU 94 59.639 66.065 56.823 731 1HD1 LEU 94 1HD1 LEU 94 57.830 65.428 58.913 732 2HD1 LEU 94 2HD1 LEU 94 58.488 64.201 57.804 733 3HD1 LEU 94 3HD1 LEU 94 56.872 64.946 57.415 734 1HD2 LEU 94 1HD2 LEU 94 56.805 66.334 55.831 735 2HD2 LEU 94 2HD2 LEU 94 58.109 65.223 55.172 736 3HD2 LEU 94 3HD2 LEU 94 58.218 67.064 55.020 737 H VAL 95 H VAL 95 60.992 65.995 58.821 738 HA VAL 95 HA VAL 95 61.114 64.668 60.587 739 HB VAL 95 HB VAL 95 61.875 67.494 61.625 740 1HG1 VAL 95 1HG1 VAL 95 63.570 65.873 63.106 741 2HG1 VAL 95 2HG1 VAL 95 62.016 64.934 63.178 742 3HG1 VAL 95 3HG1 VAL 95 62.069 66.717 63.608 743 1HG2 VAL 95 1HG2 VAL 95 64.297 66.448 61.247 744 2HG2 VAL 95 2HG2 VAL 95 63.273 66.881 59.763 745 3HG2 VAL 95 3HG2 VAL 95 63.418 65.168 60.244 746 H CYS 96 H CYS 96 59.301 63.954 61.219 747 HA CYS 96 HA CYS 96 57.768 65.334 63.413 748 1HB CYS 96 2HB CYS 96 56.457 64.464 61.284 749 2HB CYS 96 1HB CYS 96 56.974 62.847 61.712 750 HG CYS 96 HG CYS 96 55.890 62.507 63.887 751 H VAL 97 H VAL 97 57.317 64.258 65.233 752 HA VAL 97 HA VAL 97 58.574 61.670 65.913 753 HB VAL 97 HB VAL 97 59.607 63.264 67.903 754 1HG1 VAL 97 1HG1 VAL 97 61.440 62.891 65.514 755 2HG1 VAL 97 2HG1 VAL 97 60.596 61.349 66.130 756 3HG1 VAL 97 3HG1 VAL 97 61.571 62.329 67.249 757 1HG2 VAL 97 1HG2 VAL 97 60.806 65.098 66.768 758 2HG2 VAL 97 2HG2 VAL 97 58.973 65.271 66.576 759 3HG2 VAL 97 3HG2 VAL 97 60.042 64.702 65.203 760 H GLN 98 H GLN 98 56.977 60.759 66.761 761 HA GLN 98 HA GLN 98 55.006 62.154 68.514 762 1HB GLN 98 2HB GLN 98 55.452 59.470 67.168 763 2HB GLN 98 1HB GLN 98 54.187 59.518 68.526 764 1HG GLN 98 2HG GLN 98 52.974 61.278 67.405 765 2HG GLN 98 1HG GLN 98 54.222 61.419 66.079 766 1HE2 GLN 98 1HE2 GLN 98 51.351 60.820 66.395 767 2HE2 GLN 98 2HE2 GLN 98 51.100 59.361 65.391 768 H LYS 99 H LYS 99 54.073 61.047 70.200 769 HA LYS 99 HA LYS 99 56.064 59.705 72.052 770 1HB LYS 99 2HB LYS 99 54.326 61.983 72.994 771 2HB LYS 99 1HB LYS 99 55.645 61.192 73.897 772 1HG LYS 99 2HG LYS 99 56.321 62.557 71.241 773 2HG LYS 99 1HG LYS 99 55.962 63.636 72.605 774 1HD LYS 99 2HD LYS 99 57.892 62.865 73.830 775 2HD LYS 99 1HD LYS 99 57.791 61.233 73.044 776 1HE LYS 99 2HE LYS 99 58.502 62.158 70.904 777 2HE LYS 99 1HE LYS 99 58.443 63.833 71.582 778 1HZ LYS 99 1HZ LYS 99 60.771 62.762 71.506 779 2HZ LYS 99 2HZ LYS 99 60.225 61.690 72.659 780 3HZ LYS 99 3HZ LYS 99 60.331 63.338 72.997 781 H GLY 100 H GLY 100 54.690 59.501 74.173 782 1HA GLY 100 1HA GLY 100 52.775 58.699 75.304 783 2HA GLY 100 2HA GLY 100 51.759 59.000 73.809 784 H GLU 101 H GLU 101 54.626 57.282 74.662 785 HA GLU 101 HA GLU 101 54.952 55.040 75.290 786 1HB GLU 101 2HB GLU 101 52.420 54.528 74.820 787 2HB GLU 101 1HB GLU 101 52.928 54.173 73.131 788 1HG GLU 101 2HG GLU 101 54.383 52.303 73.925 789 2HG GLU 101 1HG GLU 101 54.245 52.886 75.650 790 H LYS 102 H LYS 102 55.263 56.857 72.528 791 HA LYS 102 HA LYS 102 56.905 54.703 71.152 792 1HB LYS 102 2HB LYS 102 55.715 57.437 70.241 793 2HB LYS 102 1HB LYS 102 56.805 56.339 69.232 794 1HG LYS 102 2HG LYS 102 54.654 55.680 68.530 795 2HG LYS 102 1HG LYS 102 55.021 54.523 69.861 796 1HD LYS 102 2HD LYS 102 53.589 55.495 71.371 797 2HD LYS 102 1HD LYS 102 53.749 57.141 70.633 798 1HE LYS 102 2HE LYS 102 52.248 54.774 69.248 799 2HE LYS 102 1HE LYS 102 51.520 56.003 70.369 800 1HZ LYS 102 1HZ LYS 102 53.108 56.602 67.890 801 2HZ LYS 102 2HZ LYS 102 52.359 57.714 68.879 802 3HZ LYS 102 3HZ LYS 102 51.414 56.702 67.989 803 H GLU 103 H GLU 103 57.046 58.180 71.492 804 HA GLU 103 HA GLU 103 58.645 59.692 72.046 805 1HB GLU 103 2HB GLU 103 60.298 57.374 73.233 806 2HB GLU 103 1HB GLU 103 60.254 59.174 73.654 807 1HG GLU 103 2HG GLU 103 57.922 58.981 74.251 808 2HG GLU 103 1HG GLU 103 58.043 57.108 74.108 809 H ASN 104 H ASN 104 58.914 57.661 69.718 810 HA ASN 104 HA ASN 104 61.228 58.998 68.616 811 1HB ASN 104 2HB ASN 104 62.132 57.126 70.191 812 2HB ASN 104 1HB ASN 104 61.579 55.944 68.861 813 1HD2 ASN 104 1HD2 ASN 104 63.668 58.380 69.850 814 2HD2 ASN 104 2HD2 ASN 104 64.903 58.258 68.432 815 H ARG 105 H ARG 105 58.415 58.598 68.003 816 HA ARG 105 HA ARG 105 58.654 56.767 65.657 817 1HB ARG 105 2HB ARG 105 56.888 56.009 67.165 818 2HB ARG 105 1HB ARG 105 56.056 57.614 67.005 819 1HG ARG 105 2HG ARG 105 56.111 57.180 64.425 820 2HG ARG 105 1HG ARG 105 56.511 55.448 64.918 821 1HD ARG 105 2HD ARG 105 54.477 54.972 65.849 822 2HD ARG 105 1HD ARG 105 54.139 56.683 66.279 823 HE ARG 105 HE ARG 105 54.331 56.253 63.409 824 1HH1 ARG 105 2HH1 ARG 105 52.177 55.889 66.326 825 2HH1 ARG 105 1HH1 ARG 105 50.704 55.980 65.316 826 1HH2 ARG 105 1HH2 ARG 105 52.074 56.362 62.241 827 2HH2 ARG 105 2HH2 ARG 105 50.693 56.218 63.288 828 H GLY 106 H GLY 106 59.614 57.939 64.386 829 1HA GLY 106 1HA GLY 106 58.063 60.387 63.278 830 2HA GLY 106 2HA GLY 106 59.837 60.325 63.486 831 H TRP 107 H TRP 107 58.962 60.979 61.235 832 HA TRP 107 HA TRP 107 60.198 58.988 59.530 833 1HB TRP 107 2HB TRP 107 58.036 60.002 57.872 834 2HB TRP 107 1HB TRP 107 58.295 58.259 58.377 835 HD1 TRP 107 HD1 TRP 107 56.896 57.586 60.691 836 HE1 TRP 107 HE1 TRP 107 54.960 58.538 61.938 837 HE3 TRP 107 HE3 TRP 107 57.082 61.964 58.468 838 HZ2 TRP 107 HZ2 TRP 107 53.714 61.011 61.878 839 HZ3 TRP 107 HZ3 TRP 107 55.365 63.765 59.118 840 HH2 TRP 107 HH2 TRP 107 53.760 63.167 60.816 841 H LYS 108 H LYS 108 61.443 59.645 58.147 842 HA LYS 108 HA LYS 108 61.678 62.626 57.740 843 1HB LYS 108 2HB LYS 108 63.554 60.157 57.623 844 2HB LYS 108 1HB LYS 108 64.022 61.804 56.878 845 1HG LYS 108 2HG LYS 108 63.758 62.888 59.028 846 2HG LYS 108 1HG LYS 108 62.954 61.387 59.741 847 1HD LYS 108 2HD LYS 108 64.990 60.620 60.420 848 2HD LYS 108 1HD LYS 108 65.562 60.622 58.720 849 1HE LYS 108 2HE LYS 108 65.708 63.298 59.219 850 2HE LYS 108 1HE LYS 108 65.718 62.754 60.954 851 1HZ LYS 108 1HZ LYS 108 67.951 62.972 60.308 852 2HZ LYS 108 2HZ LYS 108 67.723 62.114 58.906 853 3HZ LYS 108 3HZ LYS 108 67.721 61.336 60.395 854 H GLN 109 H GLN 109 60.146 62.862 56.367 855 HA GLN 109 HA GLN 109 60.533 61.644 53.623 856 1HB GLN 109 2HB GLN 109 58.475 63.243 55.093 857 2HB GLN 109 1HB GLN 109 58.645 63.615 53.277 858 1HG GLN 109 2HG GLN 109 58.615 60.838 53.406 859 2HG GLN 109 1HG GLN 109 57.513 61.374 54.834 860 1HE2 GLN 109 2HE2 GLN 109 56.791 60.007 52.581 861 2HE2 GLN 109 1HE2 GLN 109 55.634 61.129 51.592 862 H TRP 110 H TRP 110 62.487 62.694 52.598 863 HA TRP 110 HA TRP 110 62.516 65.685 53.119 864 1HB TRP 110 2HB TRP 110 64.716 65.553 53.173 865 2HB TRP 110 1HB TRP 110 64.291 63.922 53.912 866 HD1 TRP 110 HD1 TRP 110 65.289 65.311 50.423 867 HE1 TRP 110 HE1 TRP 110 66.499 63.321 49.212 868 HE3 TRP 110 HE3 TRP 110 64.586 61.955 53.931 869 HZ2 TRP 110 HZ2 TRP 110 66.976 60.603 49.970 870 HZ3 TRP 110 HZ3 TRP 110 65.393 59.662 53.776 871 HH2 TRP 110 HH2 TRP 110 66.565 59.004 51.820 872 H VAL 111 H VAL 111 61.849 63.375 50.747 873 HA VAL 111 HA VAL 111 61.261 63.574 48.474 874 HB VAL 111 HB VAL 111 61.609 66.571 48.786 875 1HG1 VAL 111 1HG1 VAL 111 59.114 66.187 47.674 876 2HG1 VAL 111 2HG1 VAL 111 59.918 64.634 47.190 877 3HG1 VAL 111 3HG1 VAL 111 60.632 66.194 46.684 878 1HG2 VAL 111 1HG2 VAL 111 59.083 66.290 49.826 879 2HG2 VAL 111 2HG2 VAL 111 60.545 66.222 50.852 880 3HG2 VAL 111 3HG2 VAL 111 59.805 64.661 50.289 881 H GLU 112 H GLU 112 62.066 63.436 46.690 882 HA GLU 112 HA GLU 112 64.717 64.685 46.037 883 1HB GLU 112 2HB GLU 112 63.848 61.828 45.861 884 2HB GLU 112 1HB GLU 112 64.888 62.474 44.521 885 1HG GLU 112 2HG GLU 112 65.529 63.044 47.484 886 2HG GLU 112 1HG GLU 112 66.000 61.418 46.599 887 H GLY 113 H GLY 113 62.220 62.697 44.564 888 1HA GLY 113 1HA GLY 113 60.644 64.154 43.020 889 2HA GLY 113 2HA GLY 113 62.148 64.364 41.997 890 H ASP 114 H ASP 114 59.361 62.687 42.607 891 HA ASP 114 HA ASP 114 58.379 60.803 41.792 892 1HB ASP 114 2HB ASP 114 60.630 60.657 39.645 893 2HB ASP 114 1HB ASP 114 58.816 60.247 39.510 894 H LYS 115 H LYS 115 60.304 60.629 43.830 895 HA LYS 115 HA LYS 115 60.430 57.845 44.346 896 1HB LYS 115 2HB LYS 115 62.641 58.696 42.474 897 2HB LYS 115 1HB LYS 115 63.223 58.022 44.040 898 1HG LYS 115 2HG LYS 115 61.055 56.604 42.409 899 2HG LYS 115 1HG LYS 115 62.854 56.326 42.260 900 1HD LYS 115 2HD LYS 115 62.845 55.036 44.212 901 2HD LYS 115 1HD LYS 115 62.086 56.386 45.101 902 1HE LYS 115 2HE LYS 115 60.644 54.409 45.148 903 2HE LYS 115 1HE LYS 115 59.864 55.710 44.172 904 1HZ LYS 115 1HZ LYS 115 61.517 53.473 43.053 905 2HZ LYS 115 2HZ LYS 115 60.450 54.453 42.161 906 3HZ LYS 115 3HZ LYS 115 59.880 53.305 43.216 907 H LEU 116 H LEU 116 60.480 57.775 46.389 908 HA LEU 116 HA LEU 116 62.071 59.993 47.746 909 1HB LEU 116 2HB LEU 116 59.237 59.337 47.864 910 2HB LEU 116 1HB LEU 116 59.957 59.217 49.551 911 HG LEU 116 HG LEU 116 61.066 61.549 48.606 912 1HD1 LEU 116 1HD1 LEU 116 59.315 62.749 47.258 913 2HD1 LEU 116 2HD1 LEU 116 58.052 61.721 47.984 914 3HD1 LEU 116 3HD1 LEU 116 59.182 61.051 46.682 915 1HD2 LEU 116 1HD2 LEU 116 60.006 62.431 50.419 916 2HD2 LEU 116 2HD2 LEU 116 59.588 60.713 50.803 917 3HD2 LEU 116 3HD2 LEU 116 58.374 61.810 49.995 918 H TYR 117 H TYR 117 62.686 59.588 50.019 919 HA TYR 117 HA TYR 117 62.738 56.664 50.516 920 1HB TYR 117 2HB TYR 117 65.079 58.534 49.933 921 2HB TYR 117 1HB TYR 117 65.230 57.622 51.505 922 HD1 TYR 117 HD1 TYR 117 67.139 57.372 49.152 923 HD2 TYR 117 HD2 TYR 117 63.634 55.039 50.087 924 HE1 TYR 117 HE1 TYR 117 68.018 55.477 47.946 925 HE2 TYR 117 HE2 TYR 117 64.548 53.146 48.861 926 HH TYR 117 HH TYR 117 66.511 53.128 46.736 927 H LEU 118 H LEU 118 60.988 57.495 51.423 928 HA LEU 118 HA LEU 118 61.365 59.121 53.868 929 1HB LEU 118 2HB LEU 118 59.186 59.026 52.999 930 2HB LEU 118 1HB LEU 118 59.046 57.231 52.998 931 HG LEU 118 HG LEU 118 59.245 57.352 55.595 932 1HD1 LEU 118 1HD1 LEU 118 59.775 60.103 54.811 933 2HD1 LEU 118 2HD1 LEU 118 60.065 59.289 56.372 934 3HD1 LEU 118 3HD1 LEU 118 58.428 60.076 55.963 935 1HD2 LEU 118 1HD2 LEU 118 56.971 57.309 54.215 936 2HD2 LEU 118 2HD2 LEU 118 56.986 59.129 54.435 937 3HD2 LEU 118 3HD2 LEU 118 56.886 58.004 55.880 938 H GLU 119 H GLU 119 61.991 58.613 55.895 939 HA GLU 119 HA GLU 119 62.960 55.766 56.235 940 1HB GLU 119 2HB GLU 119 63.998 58.241 57.837 941 2HB GLU 119 1HB GLU 119 64.603 56.542 57.744 942 1HG GLU 119 2HG GLU 119 64.412 57.513 55.020 943 2HG GLU 119 1HG GLU 119 65.218 58.805 56.038 944 H LEU 120 H LEU 120 62.865 55.024 58.509 945 HA LEU 120 HA LEU 120 60.431 56.272 59.716 946 1HB LEU 120 2HB LEU 120 60.223 53.918 58.307 947 2HB LEU 120 1HB LEU 120 60.294 53.324 60.029 948 HG LEU 120 HG LEU 120 58.245 54.942 58.543 949 1HD1 LEU 120 1HD1 LEU 120 57.262 52.917 59.063 950 2HD1 LEU 120 2HD1 LEU 120 56.937 53.831 60.660 951 3HD1 LEU 120 3HD1 LEU 120 58.260 52.649 60.556 952 1HD2 LEU 120 1HD2 LEU 120 59.118 55.537 61.419 953 2HD2 LEU 120 2HD2 LEU 120 57.343 55.644 61.063 954 3HD2 LEU 120 3HD2 LEU 120 58.540 56.673 60.176 955 H THR 121 H THR 121 60.755 56.788 61.576 956 HA THR 121 HA THR 121 62.544 55.169 63.390 957 HB THR 121 HB THR 121 62.493 57.179 64.913 958 HG1 THR 121 1HG THR 121 61.440 58.856 64.409 959 1HG2 THR 121 1HG2 THR 121 64.345 56.765 63.107 960 2HG2 THR 121 2HG2 THR 121 64.049 58.539 63.396 961 3HG2 THR 121 3HG2 THR 121 63.425 57.723 61.917 962 H CYS 122 H CYS 122 61.496 54.083 65.249 963 HA CYS 122 HA CYS 122 58.890 54.801 66.224 964 1HB CYS 122 2HB CYS 122 57.778 52.758 64.860 965 2HB CYS 122 1HB CYS 122 57.982 54.249 63.967 966 HG CYS 122 HG CYS 122 58.819 51.475 63.046 967 H GLY 123 H GLY 123 60.057 54.351 67.861 968 1HA GLY 123 1HA GLY 123 59.644 52.732 69.755 969 2HA GLY 123 2HA GLY 123 60.155 51.447 68.630 970 H ASP 124 H ASP 124 61.652 50.867 70.042 971 HA ASP 124 HA ASP 124 64.011 52.509 70.863 972 1HB ASP 124 2HB ASP 124 65.015 50.092 71.163 973 2HB ASP 124 1HB ASP 124 63.586 50.529 72.296 974 H GLN 125 H GLN 125 62.962 50.426 68.394 975 HA GLN 125 HA GLN 125 65.473 51.070 66.770 976 1HB GLN 125 2HB GLN 125 65.632 48.703 67.064 977 2HB GLN 125 1HB GLN 125 63.824 48.467 66.936 978 1HG GLN 125 2HG GLN 125 63.889 49.033 64.531 979 2HG GLN 125 1HG GLN 125 65.739 49.146 64.708 980 1HE2 GLN 125 2HE2 GLN 125 66.838 47.499 64.768 981 2HE2 GLN 125 1HE2 GLN 125 66.243 45.712 64.737 982 H VAL 126 H VAL 126 65.207 50.984 64.737 983 HA VAL 126 HA VAL 126 62.787 52.406 63.667 984 HB VAL 126 HB VAL 126 64.330 53.827 62.833 985 1HG1 VAL 126 1HG1 VAL 126 66.382 52.539 64.657 986 2HG1 VAL 126 2HG1 VAL 126 64.876 53.386 65.348 987 3HG1 VAL 126 3HG1 VAL 126 66.117 54.280 64.372 988 1HG2 VAL 126 1HG2 VAL 126 65.492 52.396 61.168 989 2HG2 VAL 126 2HG2 VAL 126 66.129 51.343 62.496 990 3HG2 VAL 126 3HG2 VAL 126 66.833 52.982 62.257 991 H CYS 127 H CYS 127 62.410 52.379 61.421 992 HA CYS 127 HA CYS 127 63.377 49.954 59.927 993 1HB CYS 127 2HB CYS 127 60.541 51.269 59.732 994 2HB CYS 127 1HB CYS 127 61.021 49.653 59.223 995 HG CYS 127 HG CYS 127 61.738 48.991 61.869 996 H ARG 128 H ARG 128 61.815 50.786 57.647 997 HA ARG 128 HA ARG 128 62.764 53.576 57.120 998 1HB ARG 128 2HB ARG 128 64.811 52.836 56.653 999 2HB ARG 128 1HB ARG 128 64.264 51.131 56.259 1000 1HG ARG 128 2HG ARG 128 63.710 51.598 54.072 1001 2HG ARG 128 1HG ARG 128 63.464 53.374 54.321 1002 1HD ARG 128 2HD ARG 128 65.744 53.844 54.022 1003 2HD ARG 128 1HD ARG 128 66.194 52.261 54.871 1004 HE ARG 128 HE ARG 128 65.217 51.539 52.342 1005 1HH1 ARG 128 1HH2 ARG 128 67.851 53.665 53.629 1006 2HH1 ARG 128 2HH2 ARG 128 68.838 53.353 52.243 1007 1HH2 ARG 128 1HH1 ARG 128 66.653 51.215 50.534 1008 2HH2 ARG 128 2HH1 ARG 128 68.210 52.006 50.517 1009 H GLN 129 H GLN 129 61.689 54.573 55.360 1010 HA GLN 129 HA GLN 129 59.559 52.714 54.329 1011 1HB GLN 129 2HB GLN 129 59.574 55.378 55.192 1012 2HB GLN 129 1HB GLN 129 59.425 55.427 53.341 1013 1HG GLN 129 2HG GLN 129 57.208 55.166 53.843 1014 2HG GLN 129 1HG GLN 129 57.765 53.420 53.815 1015 1HE2 GLN 129 1HE2 GLN 129 57.235 52.319 55.532 1016 2HE2 GLN 129 2HE2 GLN 129 56.800 52.856 57.154 1017 H VAL 130 H VAL 130 58.741 53.379 51.989 1018 HA VAL 130 HA VAL 130 60.878 53.990 50.095 1019 HB VAL 130 HB VAL 130 59.697 51.101 50.161 1020 1HG1 VAL 130 1HG1 VAL 130 60.487 50.786 47.928 1021 2HG1 VAL 130 2HG1 VAL 130 61.453 52.298 47.889 1022 3HG1 VAL 130 3HG1 VAL 130 59.609 52.325 47.835 1023 1HG2 VAL 130 1HG2 VAL 130 61.721 51.451 51.431 1024 2HG2 VAL 130 2HG2 VAL 130 62.580 52.147 49.976 1025 3HG2 VAL 130 3HG2 VAL 130 62.020 50.447 49.937 1026 H PHE 131 H PHE 131 59.857 55.463 49.299 1027 HA PHE 131 HA PHE 131 57.026 55.149 48.358 1028 1HB PHE 131 2HB PHE 131 58.703 57.242 49.722 1029 2HB PHE 131 1HB PHE 131 57.512 57.858 48.429 1030 HD1 PHE 131 HD1 PHE 131 57.380 55.215 51.128 1031 HD2 PHE 131 HD2 PHE 131 55.680 58.704 49.343 1032 HE1 PHE 131 HE1 PHE 131 55.461 55.079 52.731 1033 HE2 PHE 131 HE2 PHE 131 53.770 58.594 50.923 1034 HZ PHE 131 HZ PHE 131 53.712 56.727 52.618 1035 H LYS 132 H LYS 132 56.428 56.711 46.725 1036 HA LYS 132 HA LYS 132 58.483 57.551 44.737 1037 1HB LYS 132 2HB LYS 132 56.961 56.450 42.924 1038 2HB LYS 132 1HB LYS 132 57.807 55.270 43.974 1039 1HG LYS 132 2HG LYS 132 55.894 54.335 44.431 1040 2HG LYS 132 1HG LYS 132 55.214 55.846 45.272 1041 1HD LYS 132 2HD LYS 132 55.355 55.553 42.274 1042 2HD LYS 132 1HD LYS 132 53.904 54.993 43.259 1043 1HE LYS 132 2HE LYS 132 53.915 57.355 44.281 1044 2HE LYS 132 1HE LYS 132 55.043 57.827 42.914 1045 1HZ LYS 132 1HZ LYS 132 52.226 56.874 42.850 1046 2HZ LYS 132 2HZ LYS 132 53.200 56.758 41.504 1047 3HZ LYS 132 3HZ LYS 132 52.796 58.247 42.082 1048 H LYS 133 H LYS 133 57.384 59.144 43.412 1049 HA LYS 133 HA LYS 133 54.594 59.910 44.495 1050 1HB LYS 133 2HB LYS 133 55.371 62.116 45.219 1051 2HB LYS 133 1HB LYS 133 56.353 60.774 45.933 1052 1HG LYS 133 2HG LYS 133 58.099 62.139 45.093 1053 2HG LYS 133 1HG LYS 133 57.677 61.239 43.562 1054 1HD LYS 133 2HD LYS 133 57.691 63.575 42.846 1055 2HD LYS 133 1HD LYS 133 55.965 63.192 43.124 1056 1HE LYS 133 2HE LYS 133 56.144 65.109 44.343 1057 2HE LYS 133 1HE LYS 133 56.510 63.813 45.640 1058 1HZ LYS 133 1HZ LYS 133 58.291 65.239 45.929 1059 2HZ LYS 133 2HZ LYS 133 58.330 65.795 44.384 1060 3HZ LYS 133 3HZ LYS 133 58.904 64.243 44.751 1061 H LYS 134 H LYS 134 53.616 61.671 43.710 1062 HA LYS 134 HA LYS 134 54.608 62.875 41.238 1063 1HB LYS 134 2HB LYS 134 52.617 60.572 41.216 1064 2HB LYS 134 1HB LYS 134 52.221 61.926 40.086 1065 1HG LYS 134 2HG LYS 134 53.615 61.013 38.635 1066 2HG LYS 134 1HG LYS 134 55.031 61.458 39.688 1067 1HD LYS 134 2HD LYS 134 54.441 59.279 41.015 1068 2HD LYS 134 1HD LYS 134 53.430 58.860 39.571 1069 1HE LYS 134 2HE LYS 134 55.703 59.814 38.328 1070 2HE LYS 134 1HE LYS 134 56.382 58.831 39.779 1071 1HZ LYS 134 1HZ LYS 134 54.624 57.186 38.971 1072 2HZ LYS 134 2HZ LYS 134 56.144 57.219 38.238 1073 3HZ LYS 134 3HZ LYS 134 54.878 57.883 37.452 1074 1H2 RTL 135 1H2 RET 135 49.447 50.648 57.436 1075 2H2 RTL 135 2H2 RET 135 47.822 50.981 57.666 1076 1H3 RTL 135 1H3 RET 135 47.704 49.690 59.624 1077 2H3 RTL 135 2H3 RET 135 49.140 48.991 59.078 1078 1H4 RTL 135 1H4 RET 135 49.802 49.649 61.268 1079 2H4 RTL 135 2H4 RET 135 48.760 50.995 61.304 1080 H7 RTL 135 H7 RET 135 52.242 52.834 58.537 1081 H8 RTL 135 H8 RET 135 50.223 54.966 59.581 1082 H10 RTL 135 H10 RET 135 50.576 56.444 57.374 1083 H11 RTL 135 H11 RET 135 53.305 57.287 56.816 1084 H12 RTL 135 H12 RET 135 51.179 59.278 57.941 1085 H14 RTL 135 H14 RET 135 51.431 60.777 55.721 1086 1H15 RTL 135 1H15 RET 135 53.293 62.879 56.339 1087 2H15 RTL 135 2H15 RET 135 52.588 62.563 54.714 1088 HO1 RTL 135 H51 RET 135 55.024 62.404 55.428 1089 1H16 RTL 135 1H16 RET 135 48.145 53.182 57.004 1090 2H16 RTL 135 2H16 RET 135 49.924 53.272 56.957 1091 3H16 RTL 135 3H16 RET 135 49.020 54.380 57.974 1092 1H17 RTL 135 1H17 RET 135 47.297 53.574 58.826 1093 2H17 RTL 135 2H17 RET 135 48.406 53.759 60.170 1094 3H17 RTL 135 3H17 RET 135 47.382 52.297 60.040 1095 1H18 RTL 135 1H18 RET 135 51.635 51.600 62.183 1096 2H18 RTL 135 2H18 RET 135 52.684 51.507 60.753 1097 3H18 RTL 135 3H18 RET 135 51.869 50.036 61.421 1098 1H19 RTL 135 1H19 RET 135 54.088 56.027 58.603 1099 2H19 RTL 135 2H19 RET 135 53.602 54.649 59.616 1100 3H19 RTL 135 3H19 RET 135 53.379 56.377 60.152 1101 1H20 RTL 135 1H20 RET 135 54.478 61.185 57.813 1102 2H20 RTL 135 2H20 RET 135 54.989 59.782 56.880 1103 3H20 RTL 135 3H20 RET 135 54.330 59.559 58.547 Start of MODEL 6 1 1H MET 1 1H MET 1 62.228 75.355 43.260 2 2H MET 1 2H MET 1 62.210 74.792 41.718 3 3H MET 1 3H MET 1 63.553 74.530 42.736 4 HA MET 1 HA MET 1 61.113 72.997 42.475 5 1HB MET 1 2HB MET 1 63.503 72.105 42.099 6 2HB MET 1 1HB MET 1 63.840 72.418 43.826 7 1HG MET 1 2HG MET 1 63.179 70.212 43.996 8 2HG MET 1 1HG MET 1 61.655 70.953 44.376 9 1HE MET 1 1HE MET 1 62.312 67.653 41.618 10 2HE MET 1 2HE MET 1 62.989 68.122 43.234 11 3HE MET 1 3HE MET 1 63.806 68.650 41.835 12 H THR 2 H THR 2 63.260 74.328 44.931 13 HA THR 2 HA THR 2 62.959 74.697 47.292 14 HB THR 2 HB THR 2 59.980 74.620 47.044 15 HG1 THR 2 1HG THR 2 60.183 76.717 45.838 16 1HG2 THR 2 1HG2 THR 2 62.059 76.951 47.581 17 2HG2 THR 2 2HG2 THR 2 61.772 75.727 48.800 18 3HG2 THR 2 3HG2 THR 2 60.432 76.895 48.336 19 H LYS 3 H LYS 3 60.561 73.906 48.819 20 HA LYS 3 HA LYS 3 61.394 71.065 48.910 21 1HB LYS 3 2HB LYS 3 59.797 71.063 50.973 22 2HB LYS 3 1HB LYS 3 61.366 71.939 51.063 23 1HG LYS 3 2HG LYS 3 58.895 73.442 50.016 24 2HG LYS 3 1HG LYS 3 58.858 72.937 51.730 25 1HD LYS 3 2HD LYS 3 61.510 74.066 51.020 26 2HD LYS 3 1HD LYS 3 60.123 75.195 50.660 27 1HE LYS 3 2HE LYS 3 59.405 74.946 53.046 28 2HE LYS 3 1HE LYS 3 60.718 73.680 53.296 29 1HZ LYS 3 1HZ LYS 3 62.071 75.763 52.222 30 2HZ LYS 3 2HZ LYS 3 62.039 75.492 53.845 31 3HZ LYS 3 3HZ LYS 3 60.979 76.588 53.111 32 H ASP 4 H ASP 4 58.316 72.771 48.260 33 HA ASP 4 HA ASP 4 56.218 71.959 47.727 34 1HB ASP 4 2HB ASP 4 56.146 70.389 45.704 35 2HB ASP 4 1HB ASP 4 57.172 71.924 45.544 36 H GLN 5 H GLN 5 56.514 71.172 50.032 37 HA GLN 5 HA GLN 5 56.795 68.329 50.470 38 1HB GLN 5 2HB GLN 5 56.047 70.815 51.920 39 2HB GLN 5 1HB GLN 5 54.812 69.513 52.253 40 1HG GLN 5 2HG GLN 5 57.771 68.824 52.310 41 2HG GLN 5 1HG GLN 5 57.026 69.798 53.706 42 1HE2 GLN 5 2HE2 GLN 5 54.939 69.023 54.478 43 2HE2 GLN 5 1HE2 GLN 5 54.796 67.280 54.829 44 H ASN 6 H ASN 6 54.283 70.364 49.311 45 HA ASN 6 HA ASN 6 52.027 68.574 49.512 46 1HB ASN 6 2HB ASN 6 52.434 70.604 47.192 47 2HB ASN 6 1HB ASN 6 50.871 70.033 47.980 48 1HD2 ASN 6 2HD2 ASN 6 50.263 71.990 48.206 49 2HD2 ASN 6 1HD2 ASN 6 50.877 73.104 49.588 50 H GLY 7 H GLY 7 52.393 66.591 48.993 51 1HA GLY 7 1HA GLY 7 52.170 66.166 46.050 52 2HA GLY 7 2HA GLY 7 53.666 65.507 46.787 53 H THR 8 H THR 8 52.465 63.804 45.673 54 HA THR 8 HA THR 8 50.760 62.188 47.490 55 HB THR 8 HB THR 8 50.830 61.916 44.427 56 HG1 THR 8 1HG THR 8 49.867 63.845 44.874 57 1HG2 THR 8 1HG2 THR 8 48.355 61.234 45.750 58 2HG2 THR 8 2HG2 THR 8 49.589 60.656 46.981 59 3HG2 THR 8 3HG2 THR 8 49.631 59.978 45.328 60 H TRP 9 H TRP 9 51.439 59.999 47.516 61 HA TRP 9 HA TRP 9 53.830 59.189 46.007 62 1HB TRP 9 2HB TRP 9 55.035 59.056 48.463 63 2HB TRP 9 1HB TRP 9 55.546 60.071 47.064 64 HD1 TRP 9 HD1 TRP 9 52.689 60.322 49.719 65 HE1 TRP 9 HE1 TRP 9 52.527 62.833 50.532 66 HE3 TRP 9 HE3 TRP 9 56.268 61.974 46.983 67 HZ2 TRP 9 HZ2 TRP 9 53.940 65.127 49.891 68 HZ3 TRP 9 HZ3 TRP 9 56.993 64.374 46.970 69 HH2 TRP 9 HH2 TRP 9 55.805 65.959 48.449 70 H GLU 10 H GLU 10 52.203 57.541 45.654 71 HA GLU 10 HA GLU 10 50.970 55.863 47.296 72 1HB GLU 10 2HB GLU 10 52.534 55.370 44.689 73 2HB GLU 10 1HB GLU 10 52.041 53.946 45.701 74 1HG GLU 10 2HG GLU 10 49.713 55.431 45.815 75 2HG GLU 10 1HG GLU 10 50.438 55.954 44.171 76 H MET 11 H MET 11 51.735 55.448 49.110 77 HA MET 11 HA MET 11 54.343 54.688 50.154 78 1HB MET 11 2HB MET 11 51.443 54.648 50.913 79 2HB MET 11 1HB MET 11 52.140 52.978 51.095 80 1HG MET 11 2HG MET 11 54.158 54.330 52.339 81 2HG MET 11 1HG MET 11 52.934 55.561 52.471 82 1HE MET 11 1HE MET 11 52.852 51.183 53.612 83 2HE MET 11 2HE MET 11 54.035 51.984 54.771 84 3HE MET 11 3HE MET 11 54.277 52.170 53.082 85 H GLU 12 H GLU 12 55.614 53.133 49.755 86 HA GLU 12 HA GLU 12 54.748 50.802 48.065 87 1HB GLU 12 2HB GLU 12 56.608 51.687 47.070 88 2HB GLU 12 1HB GLU 12 57.328 52.305 48.590 89 1HG GLU 12 2HG GLU 12 58.398 50.198 49.013 90 2HG GLU 12 1HG GLU 12 56.879 49.319 48.256 91 H SER 13 H SER 13 57.077 51.357 50.733 92 HA SER 13 HA SER 13 55.678 49.437 52.498 93 1HB SER 13 2HB SER 13 56.979 47.504 52.126 94 2HB SER 13 1HB SER 13 57.278 48.273 50.435 95 HG SER 13 HG SER 13 59.115 47.710 51.312 96 H ASN 14 H ASN 14 57.345 48.436 53.935 97 HA ASN 14 HA ASN 14 59.202 50.467 55.084 98 1HB ASN 14 2HB ASN 14 58.358 48.304 57.041 99 2HB ASN 14 1HB ASN 14 58.064 50.101 57.181 100 1HD2 ASN 14 1HD2 ASN 14 56.348 50.920 56.724 101 2HD2 ASN 14 2HD2 ASN 14 54.842 49.989 56.097 102 H GLU 15 H GLU 15 61.083 49.988 55.677 103 HA GLU 15 HA GLU 15 62.016 47.525 54.449 104 1HB GLU 15 2HB GLU 15 63.296 49.847 55.962 105 2HB GLU 15 1HB GLU 15 64.178 48.297 56.173 106 1HG GLU 15 2HG GLU 15 63.111 49.033 53.416 107 2HG GLU 15 1HG GLU 15 64.799 49.604 54.092 108 H ASN 16 H ASN 16 61.440 48.704 57.745 109 HA ASN 16 HA ASN 16 61.728 45.904 58.759 110 1HB ASN 16 2HB ASN 16 62.800 48.470 59.769 111 2HB ASN 16 1HB ASN 16 61.677 47.588 61.034 112 1HD2 ASN 16 2HD2 ASN 16 64.704 48.028 60.257 113 2HD2 ASN 16 1HD2 ASN 16 65.365 46.319 60.612 114 H PHE 17 H PHE 17 59.772 45.862 57.692 115 HA PHE 17 HA PHE 17 57.278 47.038 58.358 116 1HB PHE 17 2HB PHE 17 57.086 44.008 58.342 117 2HB PHE 17 1HB PHE 17 56.266 45.271 57.296 118 HD1 PHE 17 HD1 PHE 17 57.027 45.681 55.215 119 HD2 PHE 17 HD2 PHE 17 59.458 43.342 57.802 120 HE1 PHE 17 HE1 PHE 17 58.567 45.064 53.296 121 HE2 PHE 17 HE2 PHE 17 60.981 42.732 55.922 122 HZ PHE 17 HZ PHE 17 60.563 43.577 53.683 123 H GLU 18 H GLU 18 59.175 44.568 59.977 124 HA GLU 18 HA GLU 18 57.340 43.826 62.073 125 1HB GLU 18 2HB GLU 18 60.429 44.026 61.753 126 2HB GLU 18 1HB GLU 18 59.643 43.320 63.229 127 1HG GLU 18 2HG GLU 18 59.172 41.391 62.204 128 2HG GLU 18 1HG GLU 18 58.823 42.258 60.522 129 H GLY 19 H GLY 19 59.536 46.512 61.736 130 1HA GLY 19 1HA GLY 19 59.351 47.172 64.673 131 2HA GLY 19 2HA GLY 19 60.192 48.124 63.393 132 H TYR 20 H TYR 20 57.567 47.769 61.755 133 HA TYR 20 HA TYR 20 56.358 50.255 62.776 134 1HB TYR 20 2HB TYR 20 56.235 48.363 60.443 135 2HB TYR 20 1HB TYR 20 54.574 48.779 61.008 136 HD1 TYR 20 HD1 TYR 20 57.336 51.261 61.211 137 HD2 TYR 20 HD2 TYR 20 53.869 49.801 59.193 138 HE1 TYR 20 HE1 TYR 20 57.211 53.393 59.949 139 HE2 TYR 20 HE2 TYR 20 53.681 51.839 57.910 140 HH TYR 20 HH TYR 20 56.226 54.328 58.091 141 H MET 21 H MET 21 55.907 46.801 63.117 142 HA MET 21 HA MET 21 53.287 46.988 64.360 143 1HB MET 21 2HB MET 21 54.584 44.955 63.157 144 2HB MET 21 1HB MET 21 55.571 44.919 64.673 145 1HG MET 21 2HG MET 21 53.066 44.872 65.726 146 2HG MET 21 1HG MET 21 52.615 44.189 64.154 147 1HE MET 21 1HE MET 21 53.137 42.782 67.653 148 2HE MET 21 2HE MET 21 52.571 41.302 66.764 149 3HE MET 21 3HE MET 21 51.850 42.827 66.421 150 H LYS 22 H LYS 22 56.529 46.537 65.455 151 HA LYS 22 HA LYS 22 55.906 46.534 68.264 152 1HB LYS 22 2HB LYS 22 58.460 46.438 66.560 153 2HB LYS 22 1HB LYS 22 58.655 47.256 68.138 154 1HG LYS 22 2HG LYS 22 57.094 44.652 68.148 155 2HG LYS 22 1HG LYS 22 58.938 44.635 68.061 156 1HD LYS 22 2HD LYS 22 57.480 46.480 70.003 157 2HD LYS 22 1HD LYS 22 57.593 44.721 70.442 158 1HE LYS 22 2HE LYS 22 60.194 45.893 69.407 159 2HE LYS 22 1HE LYS 22 59.534 46.625 70.935 160 1HZ LYS 22 1HZ LYS 22 60.935 44.428 70.989 161 2HZ LYS 22 2HZ LYS 22 59.439 43.697 70.734 162 3HZ LYS 22 3HZ LYS 22 59.615 44.679 72.031 163 H ALA 23 H ALA 23 56.364 49.064 66.092 164 HA ALA 23 HA ALA 23 57.114 51.087 68.022 165 1HB ALA 23 1HB ALA 23 55.713 51.088 65.263 166 2HB ALA 23 2HB ALA 23 57.301 51.766 65.724 167 3HB ALA 23 3HB ALA 23 55.723 52.592 66.244 168 H LEU 24 H LEU 24 54.361 49.455 67.378 169 HA LEU 24 HA LEU 24 52.689 50.820 69.465 170 1HB LEU 24 2HB LEU 24 51.422 49.256 67.167 171 2HB LEU 24 1HB LEU 24 50.772 50.686 67.974 172 HG LEU 24 HG LEU 24 53.177 50.831 66.025 173 1HD1 LEU 24 1HD1 LEU 24 50.276 50.545 65.591 174 2HD1 LEU 24 2HD1 LEU 24 51.574 50.296 64.397 175 3HD1 LEU 24 3HD1 LEU 24 51.012 51.994 64.706 176 1HD2 LEU 24 1HD2 LEU 24 51.726 53.333 66.167 177 2HD2 LEU 24 2HD2 LEU 24 53.325 52.961 66.923 178 3HD2 LEU 24 3HD2 LEU 24 51.821 52.659 67.856 179 H ASP 25 H ASP 25 50.674 48.809 69.019 180 HA ASP 25 HA ASP 25 51.828 46.114 69.348 181 1HB ASP 25 2HB ASP 25 52.331 47.123 71.538 182 2HB ASP 25 1HB ASP 25 50.732 47.957 71.572 183 H ILE 26 H ILE 26 50.496 47.111 67.488 184 HA ILE 26 HA ILE 26 47.636 47.063 67.821 185 HB ILE 26 HB ILE 26 49.582 46.771 65.519 186 1HG1 ILE 26 2HG1 ILE 26 49.086 49.018 66.316 187 2HG1 ILE 26 1HG1 ILE 26 48.519 48.764 64.616 188 1HG2 ILE 26 1HG2 ILE 26 47.766 45.363 64.524 189 2HG2 ILE 26 2HG2 ILE 26 47.219 47.055 64.129 190 3HG2 ILE 26 3HG2 ILE 26 46.571 46.279 65.607 191 1HD1 ILE 26 1HD1 ILE 26 46.719 49.681 66.649 192 2HD1 ILE 26 2HD1 ILE 26 46.381 47.928 66.614 193 3HD1 ILE 26 3HD1 ILE 26 46.336 48.849 65.080 194 H ASP 27 H ASP 27 49.638 44.900 65.983 195 HA ASP 27 HA ASP 27 49.216 42.434 67.184 196 1HB ASP 27 2HB ASP 27 46.704 42.693 66.667 197 2HB ASP 27 1HB ASP 27 47.241 42.921 64.873 198 H PHE 28 H PHE 28 49.779 40.513 65.478 199 HA PHE 28 HA PHE 28 51.920 41.532 63.876 200 1HB PHE 28 2HB PHE 28 52.110 39.103 63.174 201 2HB PHE 28 1HB PHE 28 51.667 39.256 64.966 202 HD1 PHE 28 HD1 PHE 28 50.132 38.786 61.586 203 HD2 PHE 28 HD2 PHE 28 49.872 38.256 65.814 204 HE1 PHE 28 HE1 PHE 28 48.017 37.342 61.226 205 HE2 PHE 28 HE2 PHE 28 47.816 36.850 65.512 206 HZ PHE 28 HZ PHE 28 46.934 36.422 63.221 207 H ALA 29 H ALA 29 48.620 41.257 63.242 208 HA ALA 29 HA ALA 29 48.460 40.869 60.408 209 1HB ALA 29 1HB ALA 29 46.761 42.690 62.259 210 2HB ALA 29 2HB ALA 29 46.503 40.921 62.045 211 3HB ALA 29 3HB ALA 29 46.221 42.047 60.640 212 H THR 30 H THR 30 49.227 43.607 62.400 213 HA THR 30 HA THR 30 48.895 45.663 60.521 214 HB THR 30 HB THR 30 50.310 45.361 63.117 215 HG1 THR 30 1HG THR 30 49.134 47.303 63.369 216 1HG2 THR 30 1HG2 THR 30 52.090 46.579 61.764 217 2HG2 THR 30 2HG2 THR 30 51.193 47.872 62.665 218 3HG2 THR 30 3HG2 THR 30 50.758 47.479 60.909 219 H ARG 31 H ARG 31 51.814 43.899 61.338 220 HA ARG 31 HA ARG 31 53.400 45.303 59.297 221 1HB ARG 31 2HB ARG 31 55.182 43.525 59.765 222 2HB ARG 31 1HB ARG 31 54.738 44.619 61.132 223 1HG ARG 31 2HG ARG 31 54.988 42.425 62.081 224 2HG ARG 31 1HG ARG 31 53.162 42.629 61.946 225 1HD ARG 31 2HD ARG 31 53.304 40.610 60.868 226 2HD ARG 31 1HD ARG 31 54.038 41.478 59.437 227 HE ARG 31 HE ARG 31 55.518 40.058 61.545 228 1HH1 ARG 31 1HH2 ARG 31 55.540 42.003 58.405 229 2HH1 ARG 31 2HH2 ARG 31 57.184 41.515 58.124 230 1HH2 ARG 31 2HH1 ARG 31 57.606 39.575 60.986 231 2HH2 ARG 31 1HH1 ARG 31 58.412 40.196 59.492 232 H LYS 32 H LYS 32 51.646 42.173 59.467 233 HA LYS 32 HA LYS 32 52.851 41.117 57.114 234 1HB LYS 32 2HB LYS 32 51.746 39.733 58.773 235 2HB LYS 32 1HB LYS 32 50.241 40.721 58.667 236 1HG LYS 32 2HG LYS 32 49.859 38.609 57.574 237 2HG LYS 32 1HG LYS 32 49.854 39.852 56.309 238 1HD LYS 32 2HD LYS 32 52.628 39.282 56.433 239 2HD LYS 32 1HD LYS 32 51.806 37.686 56.650 240 1HE LYS 32 2HE LYS 32 50.236 38.440 54.645 241 2HE LYS 32 1HE LYS 32 51.634 39.565 54.277 242 1HZ LYS 32 1HZ LYS 32 52.012 37.496 53.129 243 2HZ LYS 32 2HZ LYS 32 51.987 36.636 54.523 244 3HZ LYS 32 3HZ LYS 32 53.128 37.859 54.334 245 H ILE 33 H ILE 33 50.198 43.174 57.941 246 HA ILE 33 HA ILE 33 48.813 43.040 55.355 247 HB ILE 33 HB ILE 33 48.589 44.953 57.743 248 1HG1 ILE 33 2HG1 ILE 33 46.671 43.744 58.286 249 2HG1 ILE 33 1HG1 ILE 33 46.080 43.862 56.573 250 1HG2 ILE 33 1HG2 ILE 33 47.703 45.306 54.900 251 2HG2 ILE 33 2HG2 ILE 33 48.089 46.497 56.225 252 3HG2 ILE 33 3HG2 ILE 33 46.471 45.731 56.187 253 1HD1 ILE 33 1HD1 ILE 33 48.237 41.777 57.494 254 2HD1 ILE 33 2HD1 ILE 33 47.285 41.848 55.936 255 3HD1 ILE 33 3HD1 ILE 33 46.482 41.472 57.499 256 H ALA 34 H ALA 34 50.828 45.383 57.139 257 HA ALA 34 HA ALA 34 51.081 47.401 55.075 258 1HB ALA 34 1HB ALA 34 53.237 47.902 56.638 259 2HB ALA 34 2HB ALA 34 52.516 46.632 57.673 260 3HB ALA 34 3HB ALA 34 51.593 48.129 57.370 261 H VAL 35 H VAL 35 52.529 44.392 55.784 262 HA VAL 35 HA VAL 35 55.144 44.769 54.704 263 HB VAL 35 HB VAL 35 53.418 42.401 55.189 264 1HG1 VAL 35 1HG1 VAL 35 55.131 40.962 53.800 265 2HG1 VAL 35 2HG1 VAL 35 55.637 42.459 52.950 266 3HG1 VAL 35 3HG1 VAL 35 53.942 41.824 52.785 267 1HG2 VAL 35 1HG2 VAL 35 55.169 41.668 56.462 268 2HG2 VAL 35 2HG2 VAL 35 55.558 43.434 56.362 269 3HG2 VAL 35 3HG2 VAL 35 56.426 42.265 55.247 270 H ARG 36 H ARG 36 52.133 43.799 53.159 271 HA ARG 36 HA ARG 36 53.462 44.033 50.466 272 1HB ARG 36 2HB ARG 36 51.750 42.577 49.578 273 2HB ARG 36 1HB ARG 36 52.256 41.845 51.163 274 1HG ARG 36 2HG ARG 36 49.972 43.704 51.442 275 2HG ARG 36 1HG ARG 36 49.676 42.244 50.333 276 1HD ARG 36 2HD ARG 36 51.146 41.768 52.933 277 2HD ARG 36 1HD ARG 36 49.485 42.332 53.136 278 HE ARG 36 HE ARG 36 50.121 40.165 51.121 279 1HH1 ARG 36 2HH2 ARG 36 48.309 41.181 54.166 280 2HH1 ARG 36 1HH2 ARG 36 47.346 39.728 54.137 281 1HH2 ARG 36 1HH1 ARG 36 48.791 38.310 51.247 282 2HH2 ARG 36 2HH1 ARG 36 47.604 38.153 52.547 283 H LEU 37 H LEU 37 51.203 45.515 52.570 284 HA LEU 37 HA LEU 37 49.448 46.562 50.513 285 1HB LEU 37 2HB LEU 37 50.037 47.149 53.449 286 2HB LEU 37 1HB LEU 37 49.575 48.604 52.453 287 HG LEU 37 HG LEU 37 47.635 47.389 53.518 288 1HD1 LEU 37 1HD1 LEU 37 46.755 48.888 52.066 289 2HD1 LEU 37 2HD1 LEU 37 46.528 47.395 51.035 290 3HD1 LEU 37 3HD1 LEU 37 47.968 48.468 50.769 291 1HD2 LEU 37 1HD2 LEU 37 48.730 45.099 51.968 292 2HD2 LEU 37 2HD2 LEU 37 47.144 45.606 51.249 293 3HD2 LEU 37 3HD2 LEU 37 47.282 45.170 53.008 294 H THR 38 H THR 38 49.451 48.086 49.240 295 HA THR 38 HA THR 38 51.717 49.960 49.125 296 HB THR 38 HB THR 38 50.729 49.689 46.519 297 HG1 THR 38 1HG THR 38 49.477 47.936 47.134 298 1HG2 THR 38 1HG2 THR 38 52.757 47.607 47.387 299 2HG2 THR 38 2HG2 THR 38 53.239 49.350 47.625 300 3HG2 THR 38 3HG2 THR 38 52.828 48.772 45.976 301 H GLN 39 H GLN 39 50.200 51.047 50.651 302 HA GLN 39 HA GLN 39 47.756 52.112 49.554 303 1HB GLN 39 2HB GLN 39 49.298 52.846 52.109 304 2HB GLN 39 1HB GLN 39 47.532 53.146 51.730 305 1HG GLN 39 2HG GLN 39 46.857 51.051 52.062 306 2HG GLN 39 1HG GLN 39 48.342 50.290 51.340 307 1HE2 GLN 39 2HE2 GLN 39 50.377 51.380 52.767 308 2HE2 GLN 39 1HE2 GLN 39 50.263 50.919 54.449 309 H THR 40 H THR 40 47.338 54.367 49.890 310 HA THR 40 HA THR 40 49.332 56.100 48.469 311 HB THR 40 HB THR 40 46.275 56.603 48.631 312 HG1 THR 40 1HG THR 40 45.941 55.269 47.087 313 1HG2 THR 40 1HG2 THR 40 47.309 57.255 46.052 314 2HG2 THR 40 2HG2 THR 40 48.791 57.443 47.073 315 3HG2 THR 40 3HG2 THR 40 47.302 58.432 47.432 316 H LYS 41 H LYS 41 49.345 58.321 48.856 317 HA LYS 41 HA LYS 41 48.044 59.289 51.355 318 1HB LYS 41 2HB LYS 41 49.918 57.639 52.114 319 2HB LYS 41 1HB LYS 41 51.128 58.747 51.290 320 1HG LYS 41 2HG LYS 41 49.594 60.475 52.878 321 2HG LYS 41 1HG LYS 41 49.603 58.935 53.895 322 1HD LYS 41 2HD LYS 41 51.515 60.121 54.622 323 2HD LYS 41 1HD LYS 41 52.274 59.144 53.258 324 1HE LYS 41 2HE LYS 41 53.091 61.055 52.540 325 2HE LYS 41 1HE LYS 41 51.391 61.390 51.914 326 1HZ LYS 41 1HZ LYS 41 52.881 62.944 53.676 327 2HZ LYS 41 2HZ LYS 41 51.945 62.006 54.683 328 3HZ LYS 41 3HZ LYS 41 51.192 62.955 53.567 329 H ILE 42 H ILE 42 48.131 61.593 51.461 330 HA ILE 42 HA ILE 42 50.295 62.831 49.850 331 HB ILE 42 HB ILE 42 48.977 62.661 47.910 332 1HG1 ILE 42 2HG1 ILE 42 47.295 64.915 49.148 333 2HG1 ILE 42 1HG1 ILE 42 49.010 65.198 48.614 334 1HG2 ILE 42 1HG2 ILE 42 46.428 62.743 48.101 335 2HG2 ILE 42 2HG2 ILE 42 46.657 62.528 49.874 336 3HG2 ILE 42 3HG2 ILE 42 47.213 61.258 48.707 337 1HD1 ILE 42 1HD1 ILE 42 48.448 65.030 46.356 338 2HD1 ILE 42 2HD1 ILE 42 46.755 65.342 46.867 339 3HD1 ILE 42 3HD1 ILE 42 47.350 63.638 46.634 340 H ILE 43 H ILE 43 50.875 64.625 50.415 341 HA ILE 43 HA ILE 43 49.704 66.070 52.729 342 HB ILE 43 HB ILE 43 52.063 66.536 50.923 343 1HG1 ILE 43 2HG1 ILE 43 52.010 64.998 53.587 344 2HG1 ILE 43 1HG1 ILE 43 51.994 64.130 51.965 345 1HG2 ILE 43 1HG2 ILE 43 51.241 67.314 53.810 346 2HG2 ILE 43 2HG2 ILE 43 51.887 68.442 52.556 347 3HG2 ILE 43 3HG2 ILE 43 53.009 67.273 53.384 348 1HD1 ILE 43 1HD1 ILE 43 54.172 64.447 51.701 349 2HD1 ILE 43 2HD1 ILE 43 54.277 64.970 53.462 350 3HD1 ILE 43 3HD1 ILE 43 54.157 66.207 52.226 351 H VAL 44 H VAL 44 49.759 68.414 52.674 352 HA VAL 44 HA VAL 44 49.721 69.781 50.034 353 HB VAL 44 HB VAL 44 47.604 68.500 50.071 354 1HG1 VAL 44 1HG1 VAL 44 46.330 70.360 52.090 355 2HG1 VAL 44 2HG1 VAL 44 47.318 68.898 52.620 356 3HG1 VAL 44 3HG1 VAL 44 45.936 68.654 51.532 357 1HG2 VAL 44 1HG2 VAL 44 47.155 71.617 50.104 358 2HG2 VAL 44 2HG2 VAL 44 46.113 70.376 49.388 359 3HG2 VAL 44 3HG2 VAL 44 47.737 70.680 48.681 360 H GLN 45 H GLN 45 51.249 70.408 52.076 361 HA GLN 45 HA GLN 45 50.427 72.039 54.134 362 1HB GLN 45 2HB GLN 45 52.558 72.191 54.420 363 2HB GLN 45 1HB GLN 45 52.906 71.387 52.817 364 1HG GLN 45 2HG GLN 45 52.549 73.818 51.783 365 2HG GLN 45 1HG GLN 45 52.811 74.329 53.585 366 1HE2 GLN 45 1HE2 GLN 45 54.867 74.394 54.138 367 2HE2 GLN 45 2HE2 GLN 45 56.290 73.683 53.108 368 H ASP 46 H ASP 46 50.194 73.925 54.611 369 HA ASP 46 HA ASP 46 49.832 75.820 52.369 370 1HB ASP 46 2HB ASP 46 47.717 74.553 52.834 371 2HB ASP 46 1HB ASP 46 47.562 75.508 54.410 372 H GLY 47 H GLY 47 51.677 75.633 54.548 373 1HA GLY 47 1HA GLY 47 52.882 77.264 55.709 374 2HA GLY 47 2HA GLY 47 51.497 78.476 55.482 375 H ASP 48 H ASP 48 53.020 76.073 57.292 376 HA ASP 48 HA ASP 48 52.733 75.249 59.440 377 1HB ASP 48 2HB ASP 48 51.502 78.071 59.852 378 2HB ASP 48 1HB ASP 48 52.185 76.917 61.195 379 H ASN 49 H ASN 49 50.878 74.263 57.983 380 HA ASN 49 HA ASN 49 48.933 73.083 59.704 381 1HB ASN 49 2HB ASN 49 46.786 74.414 58.785 382 2HB ASN 49 1HB ASN 49 47.773 75.044 60.197 383 1HD2 ASN 49 2HD2 ASN 49 47.992 75.086 56.640 384 2HD2 ASN 49 1HD2 ASN 49 48.197 76.967 56.608 385 H PHE 50 H PHE 50 50.309 71.895 58.151 386 HA PHE 50 HA PHE 50 49.044 71.485 55.515 387 1HB PHE 50 2HB PHE 50 50.921 70.112 55.060 388 2HB PHE 50 1HB PHE 50 51.598 71.552 55.931 389 HD1 PHE 50 HD1 PHE 50 52.337 71.463 58.129 390 HD2 PHE 50 HD2 PHE 50 50.628 67.969 56.184 391 HE1 PHE 50 HE1 PHE 50 53.189 69.953 60.017 392 HE2 PHE 50 HE2 PHE 50 51.433 66.507 57.983 393 HZ PHE 50 HZ PHE 50 52.697 67.545 59.872 394 H LYS 51 H LYS 51 48.480 69.372 54.730 395 HA LYS 51 HA LYS 51 47.750 67.588 56.989 396 1HB LYS 51 2HB LYS 51 45.783 68.672 57.080 397 2HB LYS 51 1HB LYS 51 45.768 69.251 55.350 398 1HG LYS 51 2HG LYS 51 45.458 66.253 55.752 399 2HG LYS 51 1HG LYS 51 44.054 67.280 56.246 400 1HD LYS 51 2HD LYS 51 44.890 68.412 53.857 401 2HD LYS 51 1HD LYS 51 44.996 66.575 53.614 402 1HE LYS 51 2HE LYS 51 42.733 66.337 54.183 403 2HE LYS 51 1HE LYS 51 42.552 68.132 54.670 404 1HZ LYS 51 1HZ LYS 51 42.898 68.679 52.361 405 2HZ LYS 51 2HZ LYS 51 41.676 67.585 52.422 406 3HZ LYS 51 3HZ LYS 51 43.249 67.120 51.951 407 H THR 52 H THR 52 47.672 65.636 56.736 408 HA THR 52 HA THR 52 47.868 64.599 53.902 409 HB THR 52 HB THR 52 50.127 64.304 54.537 410 HG1 THR 52 1HG THR 52 49.731 62.248 56.045 411 1HG2 THR 52 1HG2 THR 52 49.144 63.968 57.526 412 2HG2 THR 52 2HG2 THR 52 49.750 65.536 56.853 413 3HG2 THR 52 3HG2 THR 52 50.840 64.127 56.910 414 H LYS 53 H LYS 53 47.107 62.568 53.553 415 HA LYS 53 HA LYS 53 45.827 61.183 55.943 416 1HB LYS 53 2HB LYS 53 43.832 60.781 54.111 417 2HB LYS 53 1HB LYS 53 43.829 62.193 55.275 418 1HG LYS 53 2HG LYS 53 45.249 62.839 52.772 419 2HG LYS 53 1HG LYS 53 43.544 62.234 52.503 420 1HD LYS 53 2HD LYS 53 44.189 64.356 54.584 421 2HD LYS 53 1HD LYS 53 43.794 64.730 52.830 422 1HE LYS 53 2HE LYS 53 41.982 63.079 54.797 423 2HE LYS 53 1HE LYS 53 41.640 64.786 54.187 424 1HZ LYS 53 1HZ LYS 53 41.583 62.255 52.773 425 2HZ LYS 53 2HZ LYS 53 41.945 63.631 51.920 426 3HZ LYS 53 3HZ LYS 53 40.517 63.582 52.770 427 H THR 54 H THR 54 46.030 59.177 55.894 428 HA THR 54 HA THR 54 47.438 58.013 53.537 429 HB THR 54 HB THR 54 47.189 56.638 56.246 430 HG1 THR 54 1HG THR 54 49.220 57.466 56.630 431 1HG2 THR 54 1HG2 THR 54 47.848 55.318 54.163 432 2HG2 THR 54 2HG2 THR 54 49.130 55.410 55.463 433 3HG2 THR 54 3HG2 THR 54 49.307 56.360 53.952 434 H ASN 55 H ASN 55 46.390 56.895 52.133 435 HA ASN 55 HA ASN 55 43.689 55.869 52.782 436 1HB ASN 55 2HB ASN 55 44.267 57.267 50.695 437 2HB ASN 55 1HB ASN 55 45.002 55.669 50.015 438 1HD2 ASN 55 1HD2 ASN 55 42.283 57.069 51.792 439 2HD2 ASN 55 2HD2 ASN 55 40.959 56.050 50.919 440 H SER 56 H SER 56 44.832 54.583 54.243 441 HA SER 56 HA SER 56 45.597 51.824 53.243 442 1HB SER 56 2HB SER 56 47.243 52.571 54.882 443 2HB SER 56 1HB SER 56 45.910 53.422 55.856 444 HG SER 56 HG SER 56 46.293 50.653 55.553 445 H THR 57 H THR 57 44.672 50.130 53.873 446 HA THR 57 HA THR 57 41.751 50.375 54.361 447 HB THR 57 HB THR 57 43.280 48.795 52.695 448 HG1 THR 57 1HG THR 57 40.773 49.258 53.180 449 1HG2 THR 57 1HG2 THR 57 42.948 46.463 53.481 450 2HG2 THR 57 2HG2 THR 57 41.997 46.981 54.932 451 3HG2 THR 57 3HG2 THR 57 43.756 47.339 54.840 452 H PHE 58 H PHE 58 44.666 49.265 55.657 453 HA PHE 58 HA PHE 58 43.379 47.980 58.102 454 1HB PHE 58 2HB PHE 58 45.942 47.520 56.919 455 2HB PHE 58 1HB PHE 58 46.245 48.485 58.428 456 HD1 PHE 58 HD1 PHE 58 43.740 45.710 57.590 457 HD2 PHE 58 HD2 PHE 58 46.820 47.304 60.145 458 HE1 PHE 58 HE1 PHE 58 43.502 43.753 59.190 459 HE2 PHE 58 HE2 PHE 58 46.582 45.380 61.694 460 HZ PHE 58 HZ PHE 58 44.876 43.608 61.164 461 H ARG 59 H ARG 59 44.138 51.113 57.280 462 HA ARG 59 HA ARG 59 43.361 51.972 60.016 463 1HB ARG 59 2HB ARG 59 45.915 51.032 60.207 464 2HB ARG 59 1HB ARG 59 46.242 52.766 59.703 465 1HG ARG 59 2HG ARG 59 46.210 52.527 62.132 466 2HG ARG 59 1HG ARG 59 44.862 53.579 61.494 467 1HD ARG 59 2HD ARG 59 43.727 50.952 61.588 468 2HD ARG 59 1HD ARG 59 44.686 51.103 63.088 469 HE ARG 59 HE ARG 59 43.401 53.398 63.241 470 1HH1 ARG 59 1HH1 ARG 59 42.049 50.152 61.966 471 2HH1 ARG 59 2HH1 ARG 59 40.492 50.619 62.507 472 1HH2 ARG 59 2HH2 ARG 59 41.159 53.718 63.833 473 2HH2 ARG 59 1HH2 ARG 59 39.969 52.530 63.505 474 H ASN 60 H ASN 60 42.088 53.249 59.122 475 HA ASN 60 HA ASN 60 43.068 55.324 57.238 476 1HB ASN 60 2HB ASN 60 40.474 54.461 58.500 477 2HB ASN 60 1HB ASN 60 40.604 56.321 58.288 478 1HD2 ASN 60 2HD2 ASN 60 39.956 57.010 56.305 479 2HD2 ASN 60 1HD2 ASN 60 39.816 55.987 54.890 480 H TYR 61 H TYR 61 44.621 56.343 57.913 481 HA TYR 61 HA TYR 61 44.270 57.933 60.456 482 1HB TYR 61 2HB TYR 61 45.948 56.000 60.375 483 2HB TYR 61 1HB TYR 61 46.875 56.983 59.115 484 HD1 TYR 61 HD1 TYR 61 45.005 58.168 62.212 485 HD2 TYR 61 HD2 TYR 61 48.843 57.596 60.279 486 HE1 TYR 61 HE1 TYR 61 46.087 59.411 63.985 487 HE2 TYR 61 HE2 TYR 61 49.956 58.849 62.077 488 HH TYR 61 HH TYR 61 48.282 59.522 64.975 489 H ASP 62 H ASP 62 45.183 59.930 60.469 490 HA ASP 62 HA ASP 62 46.112 61.289 57.955 491 1HB ASP 62 2HB ASP 62 44.409 63.040 58.261 492 2HB ASP 62 1HB ASP 62 43.624 61.379 57.925 493 H LEU 63 H LEU 63 47.863 62.010 58.439 494 HA LEU 63 HA LEU 63 48.477 62.758 61.217 495 1HB LEU 63 2HB LEU 63 49.969 61.797 59.133 496 2HB LEU 63 1HB LEU 63 50.488 63.547 59.068 497 HG LEU 63 HG LEU 63 52.053 62.416 60.560 498 1HD1 LEU 63 1HD1 LEU 63 51.753 64.268 61.888 499 2HD1 LEU 63 2HD1 LEU 63 50.939 63.013 62.924 500 3HD1 LEU 63 3HD1 LEU 63 49.973 64.165 61.871 501 1HD2 LEU 63 1HD2 LEU 63 51.093 60.282 60.857 502 2HD2 LEU 63 2HD2 LEU 63 49.524 60.995 61.420 503 3HD2 LEU 63 3HD2 LEU 63 51.012 61.064 62.517 504 H ASP 64 H ASP 64 46.547 64.385 60.924 505 HA ASP 64 HA ASP 64 47.226 66.920 59.586 506 1HB ASP 64 2HB ASP 64 44.890 66.447 59.847 507 2HB ASP 64 1HB ASP 64 45.078 65.899 61.623 508 H PHE 65 H PHE 65 48.484 68.426 60.271 509 HA PHE 65 HA PHE 65 48.797 69.117 63.048 510 1HB PHE 65 2HB PHE 65 50.181 66.911 62.866 511 2HB PHE 65 1HB PHE 65 51.138 67.786 61.603 512 HD1 PHE 65 HD1 PHE 65 49.744 68.714 65.040 513 HD2 PHE 65 HD2 PHE 65 53.063 68.463 62.268 514 HE1 PHE 65 HE1 PHE 65 51.186 69.768 66.685 515 HE2 PHE 65 HE2 PHE 65 54.502 69.540 63.966 516 HZ PHE 65 HZ PHE 65 53.647 70.212 66.157 517 H THR 66 H THR 66 50.135 70.782 63.389 518 HA THR 66 HA THR 66 50.267 72.872 61.245 519 HB THR 66 HB THR 66 51.454 73.768 63.607 520 HG1 THR 66 1HG THR 66 49.719 72.871 65.034 521 1HG2 THR 66 1HG2 THR 66 48.379 73.687 62.804 522 2HG2 THR 66 2HG2 THR 66 49.513 75.060 62.574 523 3HG2 THR 66 3HG2 THR 66 49.027 74.563 64.240 524 H VAL 67 H VAL 67 52.432 74.397 61.830 525 HA VAL 67 HA VAL 67 54.688 72.357 61.404 526 HB VAL 67 HB VAL 67 54.353 75.261 60.558 527 1HG1 VAL 67 1HG1 VAL 67 56.804 74.531 59.535 528 2HG1 VAL 67 2HG1 VAL 67 56.853 73.670 61.139 529 3HG1 VAL 67 3HG1 VAL 67 56.516 75.458 61.095 530 1HG2 VAL 67 1HG2 VAL 67 54.892 74.298 58.305 531 2HG2 VAL 67 2HG2 VAL 67 53.514 73.369 59.068 532 3HG2 VAL 67 3HG2 VAL 67 55.230 72.705 59.040 533 H GLY 68 H GLY 68 55.087 71.720 63.298 534 1HA GLY 68 1HA GLY 68 56.707 71.918 65.018 535 2HA GLY 68 2HA GLY 68 56.790 73.767 64.690 536 H VAL 69 H VAL 69 53.786 73.737 64.906 537 HA VAL 69 HA VAL 69 53.804 74.314 67.818 538 HB VAL 69 HB VAL 69 51.429 74.045 65.831 539 1HG1 VAL 69 1HG1 VAL 69 50.502 75.992 67.271 540 2HG1 VAL 69 2HG1 VAL 69 51.631 75.362 68.526 541 3HG1 VAL 69 3HG1 VAL 69 50.400 74.240 67.786 542 1HG2 VAL 69 1HG2 VAL 69 53.334 76.420 66.237 543 2HG2 VAL 69 2HG2 VAL 69 51.737 76.614 65.480 544 3HG2 VAL 69 3HG2 VAL 69 53.011 75.567 64.685 545 H GLU 70 H GLU 70 54.440 72.467 68.563 546 HA GLU 70 HA GLU 70 53.284 69.970 68.004 547 1HB GLU 70 2HB GLU 70 54.487 69.138 69.789 548 2HB GLU 70 1HB GLU 70 55.090 70.887 70.015 549 1HG GLU 70 2HG GLU 70 53.498 71.359 71.638 550 2HG GLU 70 1HG GLU 70 52.657 69.676 71.445 551 H PHE 71 H PHE 71 51.863 68.661 68.663 552 HA PHE 71 HA PHE 71 49.764 69.875 70.421 553 1HB PHE 71 2HB PHE 71 48.957 70.818 68.460 554 2HB PHE 71 1HB PHE 71 49.422 69.414 67.426 555 HD1 PHE 71 HD1 PHE 71 47.136 70.080 70.349 556 HD2 PHE 71 HD2 PHE 71 47.704 68.208 66.576 557 HE1 PHE 71 HE1 PHE 71 44.854 69.246 70.449 558 HE2 PHE 71 HE2 PHE 71 45.431 67.317 66.574 559 HZ PHE 71 HZ PHE 71 43.925 67.852 68.585 560 H ASP 72 H ASP 72 49.011 68.458 71.692 561 HA ASP 72 HA ASP 72 49.422 65.688 71.683 562 1HB ASP 72 2HB ASP 72 46.887 67.091 72.888 563 2HB ASP 72 1HB ASP 72 47.769 65.656 73.610 564 H GLU 73 H GLU 73 48.937 64.595 69.940 565 HA GLU 73 HA GLU 73 46.282 64.591 68.610 566 1HB GLU 73 2HB GLU 73 49.056 63.879 68.084 567 2HB GLU 73 1HB GLU 73 48.042 62.397 67.832 568 1HG GLU 73 2HG GLU 73 46.469 63.663 66.457 569 2HG GLU 73 1HG GLU 73 47.475 65.252 66.706 570 H HIS 74 H HIS 74 45.939 62.174 67.867 571 HA HIS 74 HA HIS 74 45.742 60.409 70.245 572 1HB HIS 74 2HB HIS 74 43.539 62.034 68.966 573 2HB HIS 74 1HB HIS 74 43.212 60.226 69.055 574 HD1 HIS 74 HD1 HIS 74 42.811 63.162 71.292 575 HD2 HIS 74 HD2 HIS 74 44.228 59.204 71.537 576 HE1 HIS 74 HE1 HIS 74 42.756 62.532 73.752 577 HE2 HIS 74 HE2 HIS 74 43.607 60.136 73.944 578 H THR 75 H THR 75 45.980 58.408 69.795 579 HA THR 75 HA THR 75 46.001 57.590 66.967 580 HB THR 75 HB THR 75 47.256 55.531 68.276 581 HG1 THR 75 1HG THR 75 47.807 57.778 69.846 582 1HG2 THR 75 1HG2 THR 75 48.184 58.563 67.883 583 2HG2 THR 75 2HG2 THR 75 48.375 57.252 66.678 584 3HG2 THR 75 3HG2 THR 75 49.405 57.279 68.184 585 H LYS 76 H LYS 76 43.691 57.868 68.616 586 HA LYS 76 HA LYS 76 42.742 55.404 69.741 587 1HB LYS 76 2HB LYS 76 41.073 57.729 68.535 588 2HB LYS 76 1HB LYS 76 40.442 56.232 69.291 589 1HG LYS 76 2HG LYS 76 42.312 56.874 71.205 590 2HG LYS 76 1HG LYS 76 41.981 58.526 70.471 591 1HD LYS 76 2HD LYS 76 39.668 56.769 71.382 592 2HD LYS 76 1HD LYS 76 40.579 57.889 72.519 593 1HE LYS 76 2HE LYS 76 40.126 59.433 70.171 594 2HE LYS 76 1HE LYS 76 38.568 58.476 70.392 595 1HZ LYS 76 1HZ LYS 76 39.910 60.191 72.413 596 2HZ LYS 76 2HZ LYS 76 38.528 59.283 72.670 597 3HZ LYS 76 3HZ LYS 76 38.510 60.579 71.626 598 H GLY 77 H GLY 77 43.294 53.758 68.685 599 1HA GLY 77 1HA GLY 77 41.827 52.081 67.480 600 2HA GLY 77 2HA GLY 77 42.074 53.154 65.999 601 H LEU 78 H LEU 78 44.695 53.859 67.020 602 HA LEU 78 HA LEU 78 46.230 51.660 65.679 603 1HB LEU 78 2HB LEU 78 46.390 54.600 66.223 604 2HB LEU 78 1HB LEU 78 47.981 53.706 66.264 605 HG LEU 78 HG LEU 78 46.016 53.155 64.002 606 1HD1 LEU 78 1HD1 LEU 78 47.060 54.852 62.617 607 2HD1 LEU 78 2HD1 LEU 78 48.014 55.451 64.061 608 3HD1 LEU 78 3HD1 LEU 78 46.219 55.622 64.046 609 1HD2 LEU 78 1HD2 LEU 78 48.466 52.094 64.791 610 2HD2 LEU 78 2HD2 LEU 78 49.079 53.422 63.688 611 3HD2 LEU 78 3HD2 LEU 78 48.044 52.140 63.056 612 H ASP 79 H ASP 79 45.210 51.783 68.619 613 HA ASP 79 HA ASP 79 45.860 50.680 70.475 614 1HB ASP 79 2HB ASP 79 47.249 49.336 68.741 615 2HB ASP 79 1HB ASP 79 48.717 50.178 69.551 616 H GLY 80 H GLY 80 46.141 53.522 70.411 617 1HA GLY 80 1HA GLY 80 48.358 53.843 72.327 618 2HA GLY 80 2HA GLY 80 48.250 55.007 70.908 619 H ARG 81 H ARG 81 46.142 55.867 70.690 620 HA ARG 81 HA ARG 81 44.386 57.268 71.408 621 1HB ARG 81 2HB ARG 81 44.281 55.759 74.051 622 2HB ARG 81 1HB ARG 81 42.868 56.337 73.055 623 1HG ARG 81 2HG ARG 81 43.920 54.650 71.198 624 2HG ARG 81 1HG ARG 81 44.642 53.864 72.621 625 1HD ARG 81 2HD ARG 81 42.311 53.627 73.618 626 2HD ARG 81 1HD ARG 81 41.598 54.414 72.179 627 HE ARG 81 HE ARG 81 43.119 52.390 71.051 628 1HH1 ARG 81 2HH1 ARG 81 40.764 52.529 73.713 629 2HH1 ARG 81 1HH1 ARG 81 40.166 50.909 73.551 630 1HH2 ARG 81 1HH2 ARG 81 42.400 50.256 70.744 631 2HH2 ARG 81 2HH2 ARG 81 41.177 49.486 71.735 632 H ASN 82 H ASN 82 47.253 57.820 72.093 633 HA ASN 82 HA ASN 82 46.733 60.225 73.292 634 1HB ASN 82 2HB ASN 82 48.050 59.779 75.572 635 2HB ASN 82 1HB ASN 82 46.259 59.328 75.545 636 1HD2 ASN 82 1HD2 ASN 82 49.553 58.152 75.283 637 2HD2 ASN 82 2HD2 ASN 82 49.181 56.505 75.731 638 H VAL 83 H VAL 83 48.018 61.062 71.989 639 HA VAL 83 HA VAL 83 50.953 60.717 72.462 640 HB VAL 83 HB VAL 83 51.568 60.421 70.182 641 1HG1 VAL 83 1HG1 VAL 83 49.352 58.359 70.814 642 2HG1 VAL 83 2HG1 VAL 83 50.905 58.400 71.646 643 3HG1 VAL 83 3HG1 VAL 83 50.870 58.073 69.849 644 1HG2 VAL 83 1HG2 VAL 83 49.885 61.492 68.839 645 2HG2 VAL 83 2HG2 VAL 83 48.541 60.579 69.575 646 3HG2 VAL 83 3HG2 VAL 83 49.731 59.695 68.499 647 H LYS 84 H LYS 84 52.228 62.149 71.306 648 HA LYS 84 HA LYS 84 50.894 64.693 70.494 649 1HB LYS 84 2HB LYS 84 52.990 65.814 71.781 650 2HB LYS 84 1HB LYS 84 51.314 65.670 72.446 651 1HG LYS 84 2HG LYS 84 53.071 63.237 72.856 652 2HG LYS 84 1HG LYS 84 53.559 64.745 73.799 653 1HD LYS 84 2HD LYS 84 51.894 64.523 75.253 654 2HD LYS 84 1HD LYS 84 50.674 64.565 73.925 655 1HE LYS 84 2HE LYS 84 51.847 61.938 73.655 656 2HE LYS 84 1HE LYS 84 51.908 62.296 75.467 657 1HZ LYS 84 1HZ LYS 84 49.638 62.448 75.615 658 2HZ LYS 84 2HZ LYS 84 49.822 61.215 74.484 659 3HZ LYS 84 3HZ LYS 84 49.377 62.738 74.019 660 H THR 85 H THR 85 51.713 65.586 68.872 661 HA THR 85 HA THR 85 54.323 64.643 67.646 662 HB THR 85 HB THR 85 51.543 65.013 66.881 663 HG1 THR 85 1HG THR 85 53.026 64.044 65.055 664 1HG2 THR 85 1HG2 THR 85 52.523 67.293 65.967 665 2HG2 THR 85 2HG2 THR 85 52.094 66.206 64.619 666 3HG2 THR 85 3HG2 THR 85 53.855 66.370 65.174 667 H LEU 86 H LEU 86 55.759 65.755 66.838 668 HA LEU 86 HA LEU 86 55.441 68.696 66.852 669 1HB LEU 86 2HB LEU 86 56.264 68.450 69.090 670 2HB LEU 86 1HB LEU 86 57.480 67.189 68.597 671 HG LEU 86 HG LEU 86 57.713 69.952 67.341 672 1HD1 LEU 86 1HD1 LEU 86 57.484 70.676 69.619 673 2HD1 LEU 86 2HD1 LEU 86 59.280 70.394 69.504 674 3HD1 LEU 86 3HD1 LEU 86 58.265 69.132 70.249 675 1HD2 LEU 86 1HD2 LEU 86 59.273 67.510 67.681 676 2HD2 LEU 86 2HD2 LEU 86 60.183 68.932 68.393 677 3HD2 LEU 86 3HD2 LEU 86 59.619 68.942 66.658 678 H VAL 87 H VAL 87 56.323 69.429 65.033 679 HA VAL 87 HA VAL 87 58.433 67.833 63.651 680 HB VAL 87 HB VAL 87 55.823 68.759 62.795 681 1HG1 VAL 87 1HG1 VAL 87 56.195 70.317 60.970 682 2HG1 VAL 87 2HG1 VAL 87 57.973 70.106 61.114 683 3HG1 VAL 87 3HG1 VAL 87 57.040 70.967 62.423 684 1HG2 VAL 87 1HG2 VAL 87 57.472 66.766 62.009 685 2HG2 VAL 87 2HG2 VAL 87 57.840 67.949 60.681 686 3HG2 VAL 87 3HG2 VAL 87 56.154 67.346 61.002 687 H THR 88 H THR 88 59.729 69.090 62.225 688 HA THR 88 HA THR 88 60.282 71.877 62.803 689 HB THR 88 HB THR 88 61.906 69.511 63.894 690 HG1 THR 88 1HG THR 88 60.540 71.601 64.895 691 1HG2 THR 88 1HG2 THR 88 63.457 71.483 64.707 692 2HG2 THR 88 2HG2 THR 88 62.855 72.507 63.427 693 3HG2 THR 88 3HG2 THR 88 63.753 70.936 63.001 694 H TRP 89 H TRP 89 60.388 72.243 60.638 695 HA TRP 89 HA TRP 89 61.406 70.690 58.423 696 1HB TRP 89 2HB TRP 89 61.308 73.686 59.170 697 2HB TRP 89 1HB TRP 89 62.000 73.213 57.576 698 HD1 TRP 89 HD1 TRP 89 58.734 73.437 59.564 699 HE1 TRP 89 HE1 TRP 89 56.838 72.992 57.962 700 HE3 TRP 89 HE3 TRP 89 61.561 72.044 55.740 701 HZ2 TRP 89 HZ2 TRP 89 56.643 72.055 55.119 702 HZ3 TRP 89 HZ3 TRP 89 60.603 71.385 53.623 703 HH2 TRP 89 HH2 TRP 89 58.209 71.392 53.338 704 H GLU 90 H GLU 90 63.261 69.603 58.638 705 HA GLU 90 HA GLU 90 65.461 70.830 60.046 706 1HB GLU 90 2HB GLU 90 64.820 68.394 59.764 707 2HB GLU 90 1HB GLU 90 65.720 68.450 58.173 708 1HG GLU 90 2HG GLU 90 67.119 69.500 60.774 709 2HG GLU 90 1HG GLU 90 66.979 67.704 60.391 710 H GLY 91 H GLY 91 64.449 70.388 56.765 711 1HA GLY 91 1HA GLY 91 65.336 72.496 55.415 712 2HA GLY 91 2HA GLY 91 66.946 71.588 55.611 713 H ASN 92 H ASN 92 63.828 71.896 54.243 714 HA ASN 92 HA ASN 92 62.894 71.123 52.209 715 1HB ASN 92 2HB ASN 92 65.603 70.501 51.839 716 2HB ASN 92 1HB ASN 92 64.741 68.856 51.789 717 1HD2 ASN 92 2HD2 ASN 92 63.485 68.321 50.279 718 2HD2 ASN 92 1HD2 ASN 92 63.102 69.276 48.819 719 H THR 93 H THR 93 63.312 69.831 55.154 720 HA THR 93 HA THR 93 61.803 67.319 54.533 721 HB THR 93 HB THR 93 63.641 67.724 56.979 722 HG1 THR 93 1HG THR 93 64.369 67.855 54.579 723 1HG2 THR 93 1HG2 THR 93 63.535 65.302 57.133 724 2HG2 THR 93 2HG2 THR 93 63.136 65.183 55.370 725 3HG2 THR 93 3HG2 THR 93 61.852 65.607 56.573 726 H LEU 94 H LEU 94 61.727 67.318 57.761 727 HA LEU 94 HA LEU 94 59.942 69.380 58.506 728 1HB LEU 94 2HB LEU 94 57.761 68.038 58.661 729 2HB LEU 94 1HB LEU 94 58.272 68.556 57.025 730 HG LEU 94 HG LEU 94 59.601 66.271 57.088 731 1HD1 LEU 94 1HD1 LEU 94 58.302 65.675 59.388 732 2HD1 LEU 94 2HD1 LEU 94 58.460 64.447 58.066 733 3HD1 LEU 94 3HD1 LEU 94 56.887 65.312 58.239 734 1HD2 LEU 94 1HD2 LEU 94 56.652 66.319 56.248 735 2HD2 LEU 94 2HD2 LEU 94 58.036 65.353 55.593 736 3HD2 LEU 94 3HD2 LEU 94 57.947 67.160 55.329 737 H VAL 95 H VAL 95 60.797 66.020 58.769 738 HA VAL 95 HA VAL 95 61.192 64.662 60.583 739 HB VAL 95 HB VAL 95 62.171 67.415 61.550 740 1HG1 VAL 95 1HG1 VAL 95 63.317 64.670 62.390 741 2HG1 VAL 95 2HG1 VAL 95 62.260 65.698 63.434 742 3HG1 VAL 95 3HG1 VAL 95 63.894 66.318 62.844 743 1HG2 VAL 95 1HG2 VAL 95 63.346 67.075 59.557 744 2HG2 VAL 95 2HG2 VAL 95 63.320 65.264 59.679 745 3HG2 VAL 95 3HG2 VAL 95 64.482 66.220 60.727 746 H CYS 96 H CYS 96 59.198 64.197 61.304 747 HA CYS 96 HA CYS 96 58.154 65.707 63.650 748 1HB CYS 96 2HB CYS 96 56.691 64.937 61.474 749 2HB CYS 96 1HB CYS 96 56.806 63.318 62.148 750 HG CYS 96 HG CYS 96 55.118 65.875 63.148 751 H VAL 97 H VAL 97 57.532 64.427 65.400 752 HA VAL 97 HA VAL 97 58.528 61.727 65.835 753 HB VAL 97 HB VAL 97 59.472 63.259 68.056 754 1HG1 VAL 97 1HG1 VAL 97 61.822 62.775 66.780 755 2HG1 VAL 97 2HG1 VAL 97 60.833 61.519 65.845 756 3HG1 VAL 97 3HG1 VAL 97 60.877 61.448 67.630 757 1HG2 VAL 97 1HG2 VAL 97 61.000 64.861 67.063 758 2HG2 VAL 97 2HG2 VAL 97 59.273 65.182 66.528 759 3HG2 VAL 97 3HG2 VAL 97 60.549 64.360 65.426 760 H GLN 98 H GLN 98 57.249 60.724 67.047 761 HA GLN 98 HA GLN 98 55.100 62.118 68.626 762 1HB GLN 98 2HB GLN 98 55.146 59.967 66.803 763 2HB GLN 98 1HB GLN 98 55.184 59.053 68.382 764 1HG GLN 98 2HG GLN 98 53.118 60.200 69.112 765 2HG GLN 98 1HG GLN 98 53.098 61.275 67.667 766 1HE2 GLN 98 2HE2 GLN 98 52.786 60.321 65.673 767 2HE2 GLN 98 1HE2 GLN 98 51.963 58.756 65.453 768 H LYS 99 H LYS 99 54.398 61.588 70.478 769 HA LYS 99 HA LYS 99 56.296 59.979 72.198 770 1HB LYS 99 2HB LYS 99 54.919 62.334 73.409 771 2HB LYS 99 1HB LYS 99 56.502 61.568 73.894 772 1HG LYS 99 2HG LYS 99 56.113 63.144 71.273 773 2HG LYS 99 1HG LYS 99 56.514 64.012 72.802 774 1HD LYS 99 2HD LYS 99 58.634 62.849 72.917 775 2HD LYS 99 1HD LYS 99 58.095 61.678 71.575 776 1HE LYS 99 2HE LYS 99 58.842 63.206 69.967 777 2HE LYS 99 1HE LYS 99 57.827 64.485 70.808 778 1HZ LYS 99 1HZ LYS 99 60.156 65.126 70.917 779 2HZ LYS 99 2HZ LYS 99 60.611 63.672 71.537 780 3HZ LYS 99 3HZ LYS 99 59.631 64.663 72.447 781 H GLY 100 H GLY 100 55.264 60.004 74.436 782 1HA GLY 100 1HA GLY 100 53.034 60.012 75.703 783 2HA GLY 100 2HA GLY 100 52.341 59.217 74.227 784 H GLU 101 H GLU 101 53.246 57.490 73.413 785 HA GLU 101 HA GLU 101 54.598 55.512 75.216 786 1HB GLU 101 2HB GLU 101 51.980 54.940 73.590 787 2HB GLU 101 1HB GLU 101 52.896 53.837 74.696 788 1HG GLU 101 2HG GLU 101 52.460 55.887 76.437 789 2HG GLU 101 1HG GLU 101 51.065 56.224 75.283 790 H LYS 102 H LYS 102 55.035 57.211 72.675 791 HA LYS 102 HA LYS 102 55.898 54.966 70.844 792 1HB LYS 102 2HB LYS 102 54.958 57.851 70.580 793 2HB LYS 102 1HB LYS 102 56.341 57.335 69.518 794 1HG LYS 102 2HG LYS 102 54.282 56.690 68.242 795 2HG LYS 102 1HG LYS 102 54.866 55.160 69.053 796 1HD LYS 102 2HD LYS 102 53.339 55.819 71.048 797 2HD LYS 102 1HD LYS 102 52.567 56.979 69.882 798 1HE LYS 102 2HE LYS 102 52.966 54.275 68.684 799 2HE LYS 102 1HE LYS 102 51.990 54.248 70.184 800 1HZ LYS 102 1HZ LYS 102 50.419 55.661 69.152 801 2HZ LYS 102 2HZ LYS 102 50.912 54.640 67.938 802 3HZ LYS 102 3HZ LYS 102 51.480 56.175 67.945 803 H GLU 103 H GLU 103 56.840 58.197 71.827 804 HA GLU 103 HA GLU 103 58.938 59.263 71.712 805 1HB GLU 103 2HB GLU 103 59.558 56.856 73.505 806 2HB GLU 103 1HB GLU 103 60.369 58.498 73.561 807 1HG GLU 103 2HG GLU 103 58.545 59.518 74.576 808 2HG GLU 103 1HG GLU 103 57.343 58.294 73.863 809 H ASN 104 H ASN 104 59.368 59.023 69.789 810 HA ASN 104 HA ASN 104 61.441 59.048 68.592 811 1HB ASN 104 2HB ASN 104 62.728 57.000 68.280 812 2HB ASN 104 1HB ASN 104 62.474 57.070 70.074 813 1HD2 ASN 104 1HD2 ASN 104 63.098 54.963 68.277 814 2HD2 ASN 104 2HD2 ASN 104 61.726 53.690 68.418 815 H ARG 105 H ARG 105 58.369 58.495 68.185 816 HA ARG 105 HA ARG 105 58.514 56.785 65.771 817 1HB ARG 105 2HB ARG 105 56.535 56.477 67.412 818 2HB ARG 105 1HB ARG 105 56.043 58.143 66.861 819 1HG ARG 105 2HG ARG 105 56.446 57.195 64.443 820 2HG ARG 105 1HG ARG 105 56.319 55.567 65.299 821 1HD ARG 105 2HD ARG 105 54.032 55.750 65.160 822 2HD ARG 105 1HD ARG 105 54.149 57.113 66.315 823 HE ARG 105 HE ARG 105 53.569 58.451 64.482 824 1HH1 ARG 105 2HH2 ARG 105 55.292 55.494 63.301 825 2HH1 ARG 105 1HH2 ARG 105 55.131 55.882 61.600 826 1HH2 ARG 105 2HH1 ARG 105 53.386 58.927 62.197 827 2HH2 ARG 105 1HH1 ARG 105 54.082 57.793 61.001 828 H GLY 106 H GLY 106 59.914 58.258 65.036 829 1HA GLY 106 1HA GLY 106 58.503 60.618 63.620 830 2HA GLY 106 2HA GLY 106 60.221 60.628 64.158 831 H TRP 107 H TRP 107 58.946 61.078 61.771 832 HA TRP 107 HA TRP 107 60.218 59.187 59.832 833 1HB TRP 107 2HB TRP 107 58.288 60.727 58.467 834 2HB TRP 107 1HB TRP 107 58.212 58.951 58.824 835 HD1 TRP 107 HD1 TRP 107 57.196 58.534 61.634 836 HE1 TRP 107 HE1 TRP 107 55.292 59.709 62.810 837 HE3 TRP 107 HE3 TRP 107 57.052 62.486 58.613 838 HZ2 TRP 107 HZ2 TRP 107 53.937 62.092 62.392 839 HZ3 TRP 107 HZ3 TRP 107 55.425 64.211 59.020 840 HH2 TRP 107 HH2 TRP 107 53.867 63.985 60.955 841 H LYS 108 H LYS 108 61.306 59.765 58.282 842 HA LYS 108 HA LYS 108 62.018 62.695 57.953 843 1HB LYS 108 2HB LYS 108 63.905 60.263 57.755 844 2HB LYS 108 1HB LYS 108 64.403 62.033 57.563 845 1HG LYS 108 2HG LYS 108 63.453 62.346 59.951 846 2HG LYS 108 1HG LYS 108 63.519 60.476 60.006 847 1HD LYS 108 2HD LYS 108 65.649 61.016 60.962 848 2HD LYS 108 1HD LYS 108 66.024 60.804 59.214 849 1HE LYS 108 2HE LYS 108 65.334 63.416 59.185 850 2HE LYS 108 1HE LYS 108 65.632 63.257 61.016 851 1HZ LYS 108 1HZ LYS 108 67.697 63.680 60.516 852 2HZ LYS 108 2HZ LYS 108 67.468 63.536 58.885 853 3HZ LYS 108 3HZ LYS 108 67.843 62.161 59.829 854 H GLN 109 H GLN 109 60.472 62.731 56.379 855 HA GLN 109 HA GLN 109 61.362 61.227 53.864 856 1HB GLN 109 2HB GLN 109 59.216 62.608 53.002 857 2HB GLN 109 1HB GLN 109 59.023 60.963 53.742 858 1HG GLN 109 2HG GLN 109 58.216 61.907 55.782 859 2HG GLN 109 1HG GLN 109 58.934 63.576 55.343 860 1HE2 GLN 109 2HE2 GLN 109 56.913 60.985 54.020 861 2HE2 GLN 109 1HE2 GLN 109 55.692 62.163 53.241 862 H TRP 110 H TRP 110 63.092 62.718 52.912 863 HA TRP 110 HA TRP 110 62.412 65.600 53.226 864 1HB TRP 110 2HB TRP 110 64.674 66.037 53.006 865 2HB TRP 110 1HB TRP 110 64.554 64.493 54.004 866 HD1 TRP 110 HD1 TRP 110 65.570 65.727 50.652 867 HE1 TRP 110 HE1 TRP 110 66.989 63.827 49.418 868 HE3 TRP 110 HE3 TRP 110 64.737 62.237 53.971 869 HZ2 TRP 110 HZ2 TRP 110 67.470 61.176 50.123 870 HZ3 TRP 110 HZ3 TRP 110 65.611 60.010 53.816 871 HH2 TRP 110 HH2 TRP 110 66.962 59.423 51.952 872 H VAL 111 H VAL 111 61.973 63.259 50.891 873 HA VAL 111 HA VAL 111 61.205 63.306 48.683 874 HB VAL 111 HB VAL 111 61.023 66.367 49.074 875 1HG1 VAL 111 1HG1 VAL 111 59.541 64.382 47.310 876 2HG1 VAL 111 2HG1 VAL 111 60.019 66.151 47.130 877 3HG1 VAL 111 3HG1 VAL 111 58.621 65.704 48.125 878 1HG2 VAL 111 1HG2 VAL 111 59.712 64.169 50.735 879 2HG2 VAL 111 2HG2 VAL 111 58.628 65.383 50.031 880 3HG2 VAL 111 3HG2 VAL 111 60.031 65.956 51.050 881 H GLU 112 H GLU 112 61.985 63.170 46.886 882 HA GLU 112 HA GLU 112 64.195 65.005 45.995 883 1HB GLU 112 2HB GLU 112 64.045 61.959 46.026 884 2HB GLU 112 1HB GLU 112 65.074 62.730 44.774 885 1HG GLU 112 2HG GLU 112 65.274 63.616 47.692 886 2HG GLU 112 1HG GLU 112 66.253 62.122 47.005 887 H GLY 113 H GLY 113 61.171 63.864 45.277 888 1HA GLY 113 1HA GLY 113 59.909 64.447 43.344 889 2HA GLY 113 2HA GLY 113 61.455 64.692 42.386 890 H ASP 114 H ASP 114 58.910 62.717 43.358 891 HA ASP 114 HA ASP 114 58.164 60.636 42.706 892 1HB ASP 114 2HB ASP 114 59.935 61.180 40.188 893 2HB ASP 114 1HB ASP 114 58.395 60.128 40.280 894 H LYS 115 H LYS 115 59.885 60.433 44.458 895 HA LYS 115 HA LYS 115 60.560 57.782 44.806 896 1HB LYS 115 2HB LYS 115 62.438 58.768 42.876 897 2HB LYS 115 1HB LYS 115 63.284 59.024 44.429 898 1HG LYS 115 2HG LYS 115 63.872 56.748 43.810 899 2HG LYS 115 1HG LYS 115 62.575 56.613 45.095 900 1HD LYS 115 2HD LYS 115 61.037 56.799 42.837 901 2HD LYS 115 1HD LYS 115 62.507 55.972 42.116 902 1HE LYS 115 2HE LYS 115 62.378 54.535 44.399 903 2HE LYS 115 1HE LYS 115 60.684 55.133 44.404 904 1HZ LYS 115 1HZ LYS 115 61.335 52.941 43.190 905 2HZ LYS 115 2HZ LYS 115 61.803 53.974 41.907 906 3HZ LYS 115 3HZ LYS 115 60.225 53.936 42.451 907 H LEU 116 H LEU 116 60.642 57.648 46.888 908 HA LEU 116 HA LEU 116 61.929 59.998 48.298 909 1HB LEU 116 2HB LEU 116 59.124 59.602 48.072 910 2HB LEU 116 1HB LEU 116 59.533 58.985 49.710 911 HG LEU 116 HG LEU 116 61.047 61.388 49.373 912 1HD1 LEU 116 1HD1 LEU 116 58.113 61.546 48.431 913 2HD1 LEU 116 2HD1 LEU 116 59.551 62.487 47.849 914 3HD1 LEU 116 3HD1 LEU 116 58.722 62.834 49.476 915 1HD2 LEU 116 1HD2 LEU 116 59.920 60.046 51.413 916 2HD2 LEU 116 2HD2 LEU 116 58.591 61.318 51.204 917 3HD2 LEU 116 3HD2 LEU 116 60.280 61.787 51.486 918 H TYR 117 H TYR 117 62.666 59.804 50.211 919 HA TYR 117 HA TYR 117 62.740 56.973 51.171 920 1HB TYR 117 2HB TYR 117 64.971 58.985 50.464 921 2HB TYR 117 1HB TYR 117 65.188 57.993 51.973 922 HD1 TYR 117 HD1 TYR 117 66.775 57.955 49.125 923 HD2 TYR 117 HD2 TYR 117 63.708 55.391 50.775 924 HE1 TYR 117 HE1 TYR 117 67.507 56.076 47.752 925 HE2 TYR 117 HE2 TYR 117 64.474 53.575 49.386 926 HH TYR 117 HH TYR 117 66.625 52.899 48.154 927 H LEU 118 H LEU 118 61.135 57.331 52.275 928 HA LEU 118 HA LEU 118 61.426 59.378 54.490 929 1HB LEU 118 2HB LEU 118 59.226 59.093 53.540 930 2HB LEU 118 1HB LEU 118 59.309 57.296 53.638 931 HG LEU 118 HG LEU 118 59.276 57.459 56.239 932 1HD1 LEU 118 1HD1 LEU 118 59.838 60.188 55.607 933 2HD1 LEU 118 2HD1 LEU 118 59.706 59.375 57.236 934 3HD1 LEU 118 3HD1 LEU 118 58.239 60.096 56.460 935 1HD2 LEU 118 1HD2 LEU 118 56.883 58.509 56.317 936 2HD2 LEU 118 2HD2 LEU 118 57.148 57.043 55.273 937 3HD2 LEU 118 3HD2 LEU 118 57.015 58.716 54.527 938 H GLU 119 H GLU 119 62.958 58.905 55.955 939 HA GLU 119 HA GLU 119 63.528 56.076 56.694 940 1HB GLU 119 2HB GLU 119 64.863 58.398 58.096 941 2HB GLU 119 1HB GLU 119 65.476 56.821 57.576 942 1HG GLU 119 2HG GLU 119 64.767 57.881 55.086 943 2HG GLU 119 1HG GLU 119 65.299 59.364 56.007 944 H LEU 120 H LEU 120 62.359 55.003 58.060 945 HA LEU 120 HA LEU 120 60.918 56.575 60.190 946 1HB LEU 120 2HB LEU 120 60.384 54.035 58.830 947 2HB LEU 120 1HB LEU 120 60.121 53.962 60.639 948 HG LEU 120 HG LEU 120 58.151 54.766 59.033 949 1HD1 LEU 120 1HD1 LEU 120 57.252 56.243 60.690 950 2HD1 LEU 120 2HD1 LEU 120 58.905 56.971 61.077 951 3HD1 LEU 120 3HD1 LEU 120 58.431 55.343 61.693 952 1HD2 LEU 120 1HD2 LEU 120 59.777 56.285 57.778 953 2HD2 LEU 120 2HD2 LEU 120 59.540 57.491 59.104 954 3HD2 LEU 120 3HD2 LEU 120 58.130 56.897 58.108 955 H THR 121 H THR 121 61.151 56.213 62.231 956 HA THR 121 HA THR 121 63.432 54.393 63.115 957 HB THR 121 HB THR 121 64.123 56.116 64.812 958 HG1 THR 121 1HG THR 121 62.228 57.154 64.980 959 1HG2 THR 121 1HG2 THR 121 64.877 56.038 62.164 960 2HG2 THR 121 2HG2 THR 121 65.504 57.268 63.348 961 3HG2 THR 121 3HG2 THR 121 64.231 57.729 62.158 962 H CYS 122 H CYS 122 60.241 54.554 63.156 963 HA CYS 122 HA CYS 122 59.821 54.578 66.080 964 1HB CYS 122 2HB CYS 122 57.520 53.874 65.430 965 2HB CYS 122 1HB CYS 122 58.022 55.201 64.369 966 HG CYS 122 HG CYS 122 57.328 53.914 62.398 967 H GLY 123 H GLY 123 59.245 53.103 67.291 968 1HA GLY 123 1HA GLY 123 59.318 51.055 68.434 969 2HA GLY 123 2HA GLY 123 59.156 50.271 66.816 970 H ASP 124 H ASP 124 61.002 50.923 69.416 971 HA ASP 124 HA ASP 124 63.153 50.615 70.190 972 1HB ASP 124 2HB ASP 124 62.047 48.203 68.872 973 2HB ASP 124 1HB ASP 124 63.878 48.177 68.960 974 H GLN 125 H GLN 125 63.524 48.938 67.057 975 HA GLN 125 HA GLN 125 66.131 50.355 66.806 976 1HB GLN 125 2HB GLN 125 64.810 48.414 64.856 977 2HB GLN 125 1HB GLN 125 66.574 48.745 64.973 978 1HG GLN 125 2HG GLN 125 66.961 47.510 66.782 979 2HG GLN 125 1HG GLN 125 65.252 47.693 67.442 980 1HE2 GLN 125 1HE2 GLN 125 66.831 46.753 64.435 981 2HE2 GLN 125 2HE2 GLN 125 65.770 45.259 64.081 982 H VAL 126 H VAL 126 66.216 50.390 63.971 983 HA VAL 126 HA VAL 126 64.403 52.679 63.355 984 HB VAL 126 HB VAL 126 67.343 51.913 62.753 985 1HG1 VAL 126 1HG1 VAL 126 65.427 54.029 61.540 986 2HG1 VAL 126 2HG1 VAL 126 66.273 52.717 60.566 987 3HG1 VAL 126 3HG1 VAL 126 67.208 54.115 61.271 988 1HG2 VAL 126 1HG2 VAL 126 66.187 54.578 63.754 989 2HG2 VAL 126 2HG2 VAL 126 67.842 53.878 64.042 990 3HG2 VAL 126 3HG2 VAL 126 66.367 53.189 64.840 991 H CYS 127 H CYS 127 63.546 52.789 61.101 992 HA CYS 127 HA CYS 127 64.096 50.321 59.422 993 1HB CYS 127 2HB CYS 127 61.356 51.805 59.570 994 2HB CYS 127 1HB CYS 127 61.655 50.129 59.101 995 HG CYS 127 HG CYS 127 61.091 51.609 61.929 996 H ARG 128 H ARG 128 62.457 50.992 57.307 997 HA ARG 128 HA ARG 128 63.285 53.829 56.645 998 1HB ARG 128 2HB ARG 128 65.354 52.485 56.174 999 2HB ARG 128 1HB ARG 128 64.314 51.380 55.154 1000 1HG ARG 128 2HG ARG 128 63.661 53.580 53.846 1001 2HG ARG 128 1HG ARG 128 65.084 54.300 54.611 1002 1HD ARG 128 2HD ARG 128 64.911 51.722 52.860 1003 2HD ARG 128 1HD ARG 128 65.736 53.302 52.397 1004 HE ARG 128 HE ARG 128 66.849 52.065 54.775 1005 1HH1 ARG 128 1HH1 ARG 128 67.057 52.439 51.095 1006 2HH1 ARG 128 2HH1 ARG 128 68.728 52.023 51.122 1007 1HH2 ARG 128 1HH2 ARG 128 69.026 51.527 54.591 1008 2HH2 ARG 128 2HH2 ARG 128 69.875 51.493 53.035 1009 H GLN 129 H GLN 129 61.395 54.487 56.285 1010 HA GLN 129 HA GLN 129 59.498 52.815 54.769 1011 1HB GLN 129 2HB GLN 129 59.183 54.999 56.395 1012 2HB GLN 129 1HB GLN 129 59.118 55.789 54.769 1013 1HG GLN 129 2HG GLN 129 56.847 55.135 55.186 1014 2HG GLN 129 1HG GLN 129 57.559 53.918 53.977 1015 1HE2 GLN 129 1HE2 GLN 129 59.015 53.188 56.956 1016 2HE2 GLN 129 2HE2 GLN 129 57.814 52.097 57.581 1017 H VAL 130 H VAL 130 58.809 52.837 52.737 1018 HA VAL 130 HA VAL 130 60.470 54.326 50.719 1019 HB VAL 130 HB VAL 130 59.086 51.535 50.415 1020 1HG1 VAL 130 1HG1 VAL 130 59.984 51.470 48.266 1021 2HG1 VAL 130 2HG1 VAL 130 61.191 52.728 48.610 1022 3HG1 VAL 130 3HG1 VAL 130 59.382 53.164 48.407 1023 1HG2 VAL 130 1HG2 VAL 130 61.151 50.452 50.484 1024 2HG2 VAL 130 2HG2 VAL 130 61.347 51.678 51.825 1025 3HG2 VAL 130 3HG2 VAL 130 62.129 51.957 50.240 1026 H PHE 131 H PHE 131 59.426 55.562 49.617 1027 HA PHE 131 HA PHE 131 56.447 55.451 49.155 1028 1HB PHE 131 2HB PHE 131 58.433 57.471 50.237 1029 2HB PHE 131 1HB PHE 131 57.225 58.141 49.065 1030 HD1 PHE 131 HD1 PHE 131 56.999 55.571 51.826 1031 HD2 PHE 131 HD2 PHE 131 55.646 59.292 50.253 1032 HE1 PHE 131 HE1 PHE 131 55.342 55.659 53.745 1033 HE2 PHE 131 HE2 PHE 131 53.997 59.375 52.128 1034 HZ PHE 131 HZ PHE 131 53.857 57.577 53.838 1035 H LYS 132 H LYS 132 55.794 56.305 47.075 1036 HA LYS 132 HA LYS 132 57.882 57.333 45.268 1037 1HB LYS 132 2HB LYS 132 58.411 55.008 44.819 1038 2HB LYS 132 1HB LYS 132 56.823 54.488 45.562 1039 1HG LYS 132 2HG LYS 132 56.801 55.837 42.791 1040 2HG LYS 132 1HG LYS 132 57.290 54.099 42.966 1041 1HD LYS 132 2HD LYS 132 54.691 55.083 44.142 1042 2HD LYS 132 1HD LYS 132 54.905 54.275 42.500 1043 1HE LYS 132 2HE LYS 132 56.170 52.483 43.961 1044 2HE LYS 132 1HE LYS 132 55.301 53.245 45.384 1045 1HZ LYS 132 1HZ LYS 132 54.274 51.286 44.201 1046 2HZ LYS 132 2HZ LYS 132 54.027 52.267 42.837 1047 3HZ LYS 132 3HZ LYS 132 53.250 52.574 44.288 1048 H LYS 133 H LYS 133 57.041 57.842 43.366 1049 HA LYS 133 HA LYS 133 55.093 57.984 41.799 1050 1HB LYS 133 2HB LYS 133 53.518 56.964 43.331 1051 2HB LYS 133 1HB LYS 133 53.396 58.562 44.235 1052 1HG LYS 133 2HG LYS 133 52.199 59.582 42.556 1053 2HG LYS 133 1HG LYS 133 53.224 58.775 41.274 1054 1HD LYS 133 2HD LYS 133 51.499 57.415 40.856 1055 2HD LYS 133 1HD LYS 133 51.637 56.828 42.603 1056 1HE LYS 133 2HE LYS 133 50.266 58.479 43.450 1057 2HE LYS 133 1HE LYS 133 50.352 59.466 41.846 1058 1HZ LYS 133 1HZ LYS 133 48.211 58.425 41.975 1059 2HZ LYS 133 2HZ LYS 133 48.808 56.897 42.197 1060 3HZ LYS 133 3HZ LYS 133 49.122 57.732 40.772 1061 H LYS 134 H LYS 134 53.556 60.399 43.684 1062 HA LYS 134 HA LYS 134 55.513 62.355 43.019 1063 1HB LYS 134 2HB LYS 134 54.159 63.441 41.030 1064 2HB LYS 134 1HB LYS 134 55.144 61.969 40.678 1065 1HG LYS 134 2HG LYS 134 52.455 61.219 41.503 1066 2HG LYS 134 1HG LYS 134 52.334 62.365 40.085 1067 1HD LYS 134 2HD LYS 134 54.280 60.010 40.314 1068 2HD LYS 134 1HD LYS 134 52.657 59.946 39.449 1069 1HE LYS 134 2HE LYS 134 54.428 62.245 38.787 1070 2HE LYS 134 1HE LYS 134 55.081 60.560 38.287 1071 1HZ LYS 134 1HZ LYS 134 52.933 60.246 37.115 1072 2HZ LYS 134 2HZ LYS 134 53.770 61.573 36.505 1073 3HZ LYS 134 3HZ LYS 134 52.435 61.767 37.473 1074 1H2 RTL 135 1H2 RET 135 49.937 49.779 57.261 1075 2H2 RTL 135 2H2 RET 135 48.288 50.137 57.482 1076 1H3 RTL 135 1H3 RET 135 48.429 48.534 59.175 1077 2H3 RTL 135 2H3 RET 135 50.120 48.598 59.232 1078 1H4 RTL 135 1H4 RET 135 49.257 49.428 61.401 1079 2H4 RTL 135 2H4 RET 135 48.252 50.574 60.640 1080 H7 RTL 135 H7 RET 135 52.409 52.506 59.404 1081 H8 RTL 135 H8 RET 135 50.080 54.552 59.110 1082 H10 RTL 135 H10 RET 135 51.458 55.840 57.097 1083 H11 RTL 135 H11 RET 135 54.135 56.718 57.831 1084 H12 RTL 135 H12 RET 135 51.824 58.777 57.513 1085 H14 RTL 135 H14 RET 135 53.180 59.977 55.530 1086 1H15 RTL 135 1H15 RET 135 54.683 62.105 56.855 1087 2H15 RTL 135 2H15 RET 135 54.643 61.788 55.092 1088 HO1 RTL 135 H51 RET 135 56.607 61.335 56.751 1089 1H16 RTL 135 1H16 RET 135 49.341 52.094 56.237 1090 2H16 RTL 135 2H16 RET 135 51.040 52.074 56.793 1091 3H16 RTL 135 3H16 RET 135 50.017 53.447 57.138 1092 1H17 RTL 135 1H17 RET 135 48.184 53.084 57.447 1093 2H17 RTL 135 2H17 RET 135 48.206 53.159 59.219 1094 3H17 RTL 135 3H17 RET 135 47.407 51.812 58.334 1095 1H18 RTL 135 1H18 RET 135 51.182 50.090 62.188 1096 2H18 RTL 135 2H18 RET 135 50.490 51.702 62.551 1097 3H18 RTL 135 3H18 RET 135 52.052 51.477 61.632 1098 1H19 RTL 135 1H19 RET 135 54.000 55.653 59.944 1099 2H19 RTL 135 2H19 RET 135 52.998 54.563 60.862 1100 3H19 RTL 135 3H19 RET 135 52.659 56.329 60.811 1101 1H20 RTL 135 1H20 RET 135 54.215 60.266 59.422 1102 2H20 RTL 135 2H20 RET 135 55.631 60.129 58.360 1103 3H20 RTL 135 3H20 RET 135 54.928 58.686 59.098 Start of MODEL 7 1 1H MET 1 1H MET 1 65.778 74.096 43.999 2 2H MET 1 2H MET 1 65.138 75.004 42.742 3 3H MET 1 3H MET 1 65.607 73.401 42.540 4 HA MET 1 HA MET 1 63.025 73.942 42.852 5 1HB MET 1 2HB MET 1 64.612 71.560 42.916 6 2HB MET 1 1HB MET 1 64.090 71.719 44.630 7 1HG MET 1 2HG MET 1 62.029 70.954 44.096 8 2HG MET 1 1HG MET 1 61.745 72.306 43.024 9 1HE MET 1 1HE MET 1 63.697 68.899 43.393 10 2HE MET 1 2HE MET 1 62.936 67.928 42.090 11 3HE MET 1 3HE MET 1 61.883 68.607 43.259 12 H THR 2 H THR 2 61.630 73.148 44.742 13 HA THR 2 HA THR 2 62.675 74.503 47.275 14 HB THR 2 HB THR 2 59.755 74.510 47.074 15 HG1 THR 2 1HG THR 2 60.879 76.240 45.214 16 1HG2 THR 2 1HG2 THR 2 62.143 76.598 47.248 17 2HG2 THR 2 2HG2 THR 2 61.007 76.183 48.560 18 3HG2 THR 2 3HG2 THR 2 60.499 77.226 47.156 19 H LYS 3 H LYS 3 60.997 74.000 49.007 20 HA LYS 3 HA LYS 3 61.149 71.033 49.258 21 1HB LYS 3 2HB LYS 3 59.316 71.599 51.218 22 2HB LYS 3 1HB LYS 3 61.106 71.681 51.424 23 1HG LYS 3 2HG LYS 3 61.063 74.142 51.148 24 2HG LYS 3 1HG LYS 3 59.464 73.999 50.342 25 1HD LYS 3 2HD LYS 3 59.060 72.868 52.986 26 2HD LYS 3 1HD LYS 3 60.140 74.305 53.228 27 1HE LYS 3 2HE LYS 3 57.766 74.407 51.377 28 2HE LYS 3 1HE LYS 3 57.518 74.610 53.220 29 1HZ LYS 3 1HZ LYS 3 57.912 76.734 51.833 30 2HZ LYS 3 2HZ LYS 3 59.385 76.196 51.433 31 3HZ LYS 3 3HZ LYS 3 59.049 76.533 53.034 32 H ASP 4 H ASP 4 58.063 72.700 49.794 33 HA ASP 4 HA ASP 4 55.989 72.361 48.979 34 1HB ASP 4 2HB ASP 4 57.111 70.509 46.708 35 2HB ASP 4 1HB ASP 4 55.528 71.361 46.878 36 H GLN 5 H GLN 5 55.036 71.222 50.696 37 HA GLN 5 HA GLN 5 55.901 68.408 51.084 38 1HB GLN 5 2HB GLN 5 53.554 70.226 52.075 39 2HB GLN 5 1HB GLN 5 53.819 68.467 52.653 40 1HG GLN 5 2HG GLN 5 55.994 70.555 52.803 41 2HG GLN 5 1HG GLN 5 54.741 70.226 54.198 42 1HE2 GLN 5 2HE2 GLN 5 57.383 69.081 52.246 43 2HE2 GLN 5 1HE2 GLN 5 57.794 67.619 53.172 44 H ASN 6 H ASN 6 52.990 70.026 50.195 45 HA ASN 6 HA ASN 6 51.134 68.357 49.328 46 1HB ASN 6 2HB ASN 6 51.647 69.874 46.844 47 2HB ASN 6 1HB ASN 6 50.329 70.066 48.106 48 1HD2 ASN 6 2HD2 ASN 6 50.546 71.315 49.682 49 2HD2 ASN 6 1HD2 ASN 6 51.797 72.751 49.704 50 H GLY 7 H GLY 7 51.335 66.372 48.712 51 1HA GLY 7 1HA GLY 7 51.819 65.700 45.951 52 2HA GLY 7 2HA GLY 7 53.253 65.266 46.934 53 H THR 8 H THR 8 52.080 63.548 45.661 54 HA THR 8 HA THR 8 50.531 61.851 47.513 55 HB THR 8 HB THR 8 50.723 61.504 44.426 56 HG1 THR 8 1HG THR 8 49.834 63.343 44.392 57 1HG2 THR 8 1HG2 THR 8 49.537 59.812 46.297 58 2HG2 THR 8 2HG2 THR 8 48.477 60.330 44.884 59 3HG2 THR 8 3HG2 THR 8 48.365 61.165 46.492 60 H TRP 9 H TRP 9 51.183 59.577 47.337 61 HA TRP 9 HA TRP 9 53.651 58.948 45.972 62 1HB TRP 9 2HB TRP 9 54.835 58.680 48.511 63 2HB TRP 9 1HB TRP 9 55.288 59.724 47.114 64 HD1 TRP 9 HD1 TRP 9 52.268 59.993 49.549 65 HE1 TRP 9 HE1 TRP 9 52.136 62.426 50.478 66 HE3 TRP 9 HE3 TRP 9 56.350 61.688 47.358 67 HZ2 TRP 9 HZ2 TRP 9 53.631 64.617 50.210 68 HZ3 TRP 9 HZ3 TRP 9 57.037 64.031 47.724 69 HH2 TRP 9 HH2 TRP 9 55.791 65.507 49.076 70 H GLU 10 H GLU 10 52.144 57.136 45.507 71 HA GLU 10 HA GLU 10 51.228 55.458 47.584 72 1HB GLU 10 2HB GLU 10 52.255 54.719 44.739 73 2HB GLU 10 1HB GLU 10 51.429 53.549 45.894 74 1HG GLU 10 2HG GLU 10 49.350 54.909 45.769 75 2HG GLU 10 1HG GLU 10 50.353 56.250 44.961 76 H MET 11 H MET 11 52.379 54.820 49.082 77 HA MET 11 HA MET 11 55.284 54.400 49.249 78 1HB MET 11 2HB MET 11 52.794 53.637 50.857 79 2HB MET 11 1HB MET 11 54.290 52.662 51.115 80 1HG MET 11 2HG MET 11 55.648 54.659 51.678 81 2HG MET 11 1HG MET 11 54.354 55.675 51.057 82 1HE MET 11 1HE MET 11 54.770 53.272 55.087 83 2HE MET 11 2HE MET 11 56.072 53.759 53.938 84 3HE MET 11 3HE MET 11 54.988 52.489 53.491 85 H GLU 12 H GLU 12 56.319 52.573 49.799 86 HA GLU 12 HA GLU 12 55.709 50.244 47.993 87 1HB GLU 12 2HB GLU 12 57.644 51.659 47.072 88 2HB GLU 12 1HB GLU 12 58.480 51.381 48.652 89 1HG GLU 12 2HG GLU 12 59.196 49.406 47.932 90 2HG GLU 12 1HG GLU 12 57.409 48.899 47.525 91 H SER 13 H SER 13 57.786 51.310 50.751 92 HA SER 13 HA SER 13 56.818 49.015 52.430 93 1HB SER 13 2HB SER 13 59.838 49.081 51.914 94 2HB SER 13 1HB SER 13 58.726 47.687 52.396 95 HG SER 13 HG SER 13 58.962 48.884 49.885 96 H ASN 14 H ASN 14 58.228 48.603 54.077 97 HA ASN 14 HA ASN 14 59.726 50.774 55.379 98 1HB ASN 14 2HB ASN 14 58.304 50.012 57.599 99 2HB ASN 14 1HB ASN 14 57.527 51.221 56.458 100 1HD2 ASN 14 1HD2 ASN 14 56.301 50.214 54.704 101 2HD2 ASN 14 2HD2 ASN 14 55.315 48.667 55.174 102 H GLU 15 H GLU 15 61.276 49.696 54.880 103 HA GLU 15 HA GLU 15 62.190 47.342 54.887 104 1HB GLU 15 2HB GLU 15 63.177 49.862 56.086 105 2HB GLU 15 1HB GLU 15 63.956 48.504 56.931 106 1HG GLU 15 2HG GLU 15 63.732 48.214 53.945 107 2HG GLU 15 1HG GLU 15 64.954 49.421 54.650 108 H ASN 16 H ASN 16 62.188 48.615 58.344 109 HA ASN 16 HA ASN 16 61.915 45.784 59.197 110 1HB ASN 16 2HB ASN 16 62.670 48.395 60.454 111 2HB ASN 16 1HB ASN 16 61.736 47.195 61.565 112 1HD2 ASN 16 1HD2 ASN 16 64.321 48.134 61.857 113 2HD2 ASN 16 2HD2 ASN 16 65.472 46.634 61.682 114 H PHE 17 H PHE 17 60.005 45.429 58.265 115 HA PHE 17 HA PHE 17 57.495 46.710 58.705 116 1HB PHE 17 2HB PHE 17 57.806 43.670 58.799 117 2HB PHE 17 1HB PHE 17 56.471 44.631 58.011 118 HD1 PHE 17 HD1 PHE 17 59.678 43.055 57.590 119 HD2 PHE 17 HD2 PHE 17 57.059 45.920 55.955 120 HE1 PHE 17 HE1 PHE 17 60.922 42.946 55.413 121 HE2 PHE 17 HE2 PHE 17 58.242 45.858 53.793 122 HZ PHE 17 HZ PHE 17 60.208 44.373 53.446 123 H GLU 18 H GLU 18 59.320 44.475 60.693 124 HA GLU 18 HA GLU 18 57.167 43.973 62.704 125 1HB GLU 18 2HB GLU 18 60.300 43.980 62.900 126 2HB GLU 18 1HB GLU 18 59.155 43.211 64.049 127 1HG GLU 18 2HG GLU 18 59.933 42.323 61.288 128 2HG GLU 18 1HG GLU 18 59.614 41.310 62.888 129 H GLY 19 H GLY 19 59.985 46.271 62.627 130 1HA GLY 19 1HA GLY 19 59.281 47.077 65.390 131 2HA GLY 19 2HA GLY 19 60.398 47.950 64.238 132 H TYR 20 H TYR 20 58.231 47.798 62.150 133 HA TYR 20 HA TYR 20 56.958 50.382 62.614 134 1HB TYR 20 2HB TYR 20 57.388 48.665 60.505 135 2HB TYR 20 1HB TYR 20 55.701 48.123 60.953 136 HD1 TYR 20 HD1 TYR 20 56.579 51.752 61.265 137 HD2 TYR 20 HD2 TYR 20 55.015 48.577 58.870 138 HE1 TYR 20 HE1 TYR 20 55.550 53.434 59.743 139 HE2 TYR 20 HE2 TYR 20 53.976 50.179 57.359 140 HH TYR 20 HH TYR 20 53.978 53.682 58.103 141 H MET 21 H MET 21 56.065 47.006 62.955 142 HA MET 21 HA MET 21 53.348 47.637 63.939 143 1HB MET 21 2HB MET 21 54.042 45.423 62.719 144 2HB MET 21 1HB MET 21 55.182 45.179 64.101 145 1HG MET 21 2HG MET 21 53.348 45.083 65.702 146 2HG MET 21 1HG MET 21 52.109 45.535 64.531 147 1HE MET 21 1HE MET 21 54.421 41.814 65.659 148 2HE MET 21 2HE MET 21 52.960 42.357 66.603 149 3HE MET 21 3HE MET 21 54.221 43.482 66.323 150 H LYS 22 H LYS 22 56.406 46.685 65.284 151 HA LYS 22 HA LYS 22 55.595 46.263 67.959 152 1HB LYS 22 2HB LYS 22 58.019 45.867 66.581 153 2HB LYS 22 1HB LYS 22 58.403 47.373 67.559 154 1HG LYS 22 2HG LYS 22 57.108 45.966 69.422 155 2HG LYS 22 1HG LYS 22 57.825 44.566 68.459 156 1HD LYS 22 2HD LYS 22 59.607 45.008 69.908 157 2HD LYS 22 1HD LYS 22 59.999 46.082 68.434 158 1HE LYS 22 2HE LYS 22 58.192 47.533 70.203 159 2HE LYS 22 1HE LYS 22 59.508 46.816 71.202 160 1HZ LYS 22 1HZ LYS 22 59.854 49.094 70.061 161 2HZ LYS 22 2HZ LYS 22 60.137 48.222 68.642 162 3HZ LYS 22 3HZ LYS 22 61.132 48.009 69.915 163 H ALA 23 H ALA 23 56.208 49.115 66.324 164 HA ALA 23 HA ALA 23 56.991 50.783 68.519 165 1HB ALA 23 1HB ALA 23 56.061 51.106 65.802 166 2HB ALA 23 2HB ALA 23 57.094 52.218 66.775 167 3HB ALA 23 3HB ALA 23 55.252 52.396 66.834 168 H LEU 24 H LEU 24 54.118 49.359 67.726 169 HA LEU 24 HA LEU 24 52.532 50.450 70.037 170 1HB LEU 24 2HB LEU 24 50.504 50.433 68.386 171 2HB LEU 24 1HB LEU 24 51.719 51.696 68.074 172 HG LEU 24 HG LEU 24 51.831 49.017 66.535 173 1HD1 LEU 24 1HD1 LEU 24 50.357 49.783 64.930 174 2HD1 LEU 24 2HD1 LEU 24 50.658 51.510 65.368 175 3HD1 LEU 24 3HD1 LEU 24 49.652 50.500 66.465 176 1HD2 LEU 24 1HD2 LEU 24 52.791 51.060 64.905 177 2HD2 LEU 24 2HD2 LEU 24 53.877 50.072 65.928 178 3HD2 LEU 24 3HD2 LEU 24 53.214 51.668 66.543 179 H ASP 25 H ASP 25 50.356 48.905 69.583 180 HA ASP 25 HA ASP 25 51.214 46.103 69.051 181 1HB ASP 25 2HB ASP 25 51.010 47.235 71.778 182 2HB ASP 25 1HB ASP 25 49.582 46.125 71.461 183 H ILE 26 H ILE 26 50.093 47.256 67.264 184 HA ILE 26 HA ILE 26 47.284 47.710 67.528 185 HB ILE 26 HB ILE 26 48.657 48.920 65.977 186 1HG1 ILE 26 2HG1 ILE 26 46.832 47.418 64.070 187 2HG1 ILE 26 1HG1 ILE 26 46.168 48.213 65.596 188 1HG2 ILE 26 1HG2 ILE 26 50.135 46.844 65.223 189 2HG2 ILE 26 2HG2 ILE 26 49.596 47.975 63.902 190 3HG2 ILE 26 3HG2 ILE 26 48.666 46.462 64.164 191 1HD1 ILE 26 1HD1 ILE 26 46.133 49.958 63.784 192 2HD1 ILE 26 2HD1 ILE 26 47.863 49.719 63.453 193 3HD1 ILE 26 3HD1 ILE 26 47.335 50.288 65.093 194 H ASP 27 H ASP 27 49.180 45.197 65.883 195 HA ASP 27 HA ASP 27 47.907 42.968 66.711 196 1HB ASP 27 2HB ASP 27 46.086 44.424 64.858 197 2HB ASP 27 1HB ASP 27 46.493 42.723 64.256 198 H PHE 28 H PHE 28 48.248 41.001 65.378 199 HA PHE 28 HA PHE 28 50.672 41.491 63.785 200 1HB PHE 28 2HB PHE 28 50.993 39.403 64.862 201 2HB PHE 28 1HB PHE 28 49.188 39.304 65.128 202 HD1 PHE 28 HD1 PHE 28 51.870 38.821 62.548 203 HD2 PHE 28 HD2 PHE 28 47.938 37.869 63.825 204 HE1 PHE 28 HE1 PHE 28 51.729 37.061 60.662 205 HE2 PHE 28 HE2 PHE 28 47.764 36.157 62.018 206 HZ PHE 28 HZ PHE 28 49.699 35.772 60.426 207 H ALA 29 H ALA 29 47.369 41.081 63.081 208 HA ALA 29 HA ALA 29 47.789 40.138 60.260 209 1HB ALA 29 1HB ALA 29 45.178 40.820 60.175 210 2HB ALA 29 2HB ALA 29 45.355 41.221 61.913 211 3HB ALA 29 3HB ALA 29 45.673 39.512 61.325 212 H THR 30 H THR 30 47.544 43.008 62.079 213 HA THR 30 HA THR 30 46.932 44.905 60.060 214 HB THR 30 HB THR 30 48.619 45.210 62.638 215 HG1 THR 30 1HG THR 30 45.940 45.414 61.929 216 1HG2 THR 30 1HG2 THR 30 47.201 47.231 60.733 217 2HG2 THR 30 2HG2 THR 30 48.989 47.165 61.155 218 3HG2 THR 30 3HG2 THR 30 47.747 47.670 62.397 219 H ARG 31 H ARG 31 50.088 43.992 61.274 220 HA ARG 31 HA ARG 31 51.653 45.606 59.476 221 1HB ARG 31 2HB ARG 31 53.338 45.139 60.794 222 2HB ARG 31 1HB ARG 31 52.189 44.320 61.871 223 1HG ARG 31 2HG ARG 31 53.743 42.861 59.547 224 2HG ARG 31 1HG ARG 31 54.294 43.039 61.265 225 1HD ARG 31 2HD ARG 31 52.376 41.672 62.032 226 2HD ARG 31 1HD ARG 31 51.551 41.876 60.408 227 HE ARG 31 HE ARG 31 52.770 40.147 59.658 228 1HH1 ARG 31 1HH1 ARG 31 54.352 41.423 62.663 229 2HH1 ARG 31 2HH1 ARG 31 55.547 40.091 62.657 230 1HH2 ARG 31 1HH2 ARG 31 54.398 38.450 59.774 231 2HH2 ARG 31 2HH2 ARG 31 55.590 38.440 61.070 232 H LYS 32 H LYS 32 50.098 42.483 59.045 233 HA LYS 32 HA LYS 32 51.993 41.502 57.081 234 1HB LYS 32 2HB LYS 32 50.221 40.317 58.723 235 2HB LYS 32 1HB LYS 32 49.102 40.638 57.321 236 1HG LYS 32 2HG LYS 32 51.784 39.286 56.797 237 2HG LYS 32 1HG LYS 32 50.381 38.324 57.428 238 1HD LYS 32 2HD LYS 32 49.372 38.167 55.449 239 2HD LYS 32 1HD LYS 32 49.261 39.945 55.357 240 1HE LYS 32 2HE LYS 32 50.588 38.798 53.460 241 2HE LYS 32 1HE LYS 32 51.549 40.064 54.317 242 1HZ LYS 32 1HZ LYS 32 51.696 37.444 55.534 243 2HZ LYS 32 2HZ LYS 32 52.900 38.556 55.168 244 3HZ LYS 32 3HZ LYS 32 52.330 37.542 53.985 245 H ILE 33 H ILE 33 48.966 43.294 57.274 246 HA ILE 33 HA ILE 33 48.648 43.228 54.366 247 HB ILE 33 HB ILE 33 47.238 45.165 56.323 248 1HG1 ILE 33 2HG1 ILE 33 46.467 43.009 57.111 249 2HG1 ILE 33 1HG1 ILE 33 45.306 43.524 55.835 250 1HG2 ILE 33 1HG2 ILE 33 47.238 45.563 53.770 251 2HG2 ILE 33 2HG2 ILE 33 45.631 45.463 54.612 252 3HG2 ILE 33 3HG2 ILE 33 46.168 44.082 53.611 253 1HD1 ILE 33 1HD1 ILE 33 47.659 41.445 55.640 254 2HD1 ILE 33 2HD1 ILE 33 46.896 42.213 54.171 255 3HD1 ILE 33 3HD1 ILE 33 45.915 41.185 55.334 256 H ALA 34 H ALA 34 50.019 45.153 56.857 257 HA ALA 34 HA ALA 34 50.517 47.651 55.324 258 1HB ALA 34 1HB ALA 34 51.109 48.424 57.447 259 2HB ALA 34 2HB ALA 34 52.408 47.203 57.458 260 3HB ALA 34 3HB ALA 34 50.738 46.747 58.036 261 H VAL 35 H VAL 35 51.924 44.619 55.774 262 HA VAL 35 HA VAL 35 54.715 45.236 55.297 263 HB VAL 35 HB VAL 35 53.002 42.842 55.407 264 1HG1 VAL 35 1HG1 VAL 35 53.947 42.318 53.127 265 2HG1 VAL 35 2HG1 VAL 35 54.925 41.404 54.307 266 3HG1 VAL 35 3HG1 VAL 35 55.590 42.935 53.637 267 1HG2 VAL 35 1HG2 VAL 35 54.790 43.820 57.094 268 2HG2 VAL 35 2HG2 VAL 35 55.955 42.987 55.999 269 3HG2 VAL 35 3HG2 VAL 35 54.606 42.014 56.818 270 H ARG 36 H ARG 36 52.101 44.370 53.321 271 HA ARG 36 HA ARG 36 53.790 44.555 50.791 272 1HB ARG 36 2HB ARG 36 51.904 43.423 49.661 273 2HB ARG 36 1HB ARG 36 52.502 42.426 51.109 274 1HG ARG 36 2HG ARG 36 50.466 44.094 52.204 275 2HG ARG 36 1HG ARG 36 49.831 43.426 50.607 276 1HD ARG 36 2HD ARG 36 51.292 41.663 52.575 277 2HD ARG 36 1HD ARG 36 49.509 41.904 52.697 278 HE ARG 36 HE ARG 36 51.057 40.496 50.581 279 1HH1 ARG 36 2HH1 ARG 36 48.060 42.197 51.443 280 2HH1 ARG 36 1HH1 ARG 36 47.130 41.455 50.164 281 1HH2 ARG 36 2HH2 ARG 36 49.636 39.436 48.760 282 2HH2 ARG 36 1HH2 ARG 36 47.982 39.972 48.775 283 H LEU 37 H LEU 37 51.291 46.065 52.539 284 HA LEU 37 HA LEU 37 49.967 47.267 50.239 285 1HB LEU 37 2HB LEU 37 50.086 47.836 53.294 286 2HB LEU 37 1HB LEU 37 49.535 49.161 52.194 287 HG LEU 37 HG LEU 37 47.811 47.375 53.187 288 1HD1 LEU 37 1HD1 LEU 37 47.910 49.117 50.698 289 2HD1 LEU 37 2HD1 LEU 37 46.791 49.090 52.087 290 3HD1 LEU 37 3HD1 LEU 37 46.581 47.850 50.760 291 1HD2 LEU 37 1HD2 LEU 37 49.187 45.554 51.581 292 2HD2 LEU 37 2HD2 LEU 37 48.028 46.330 50.375 293 3HD2 LEU 37 3HD2 LEU 37 47.407 45.482 51.844 294 H THR 38 H THR 38 50.121 49.092 49.298 295 HA THR 38 HA THR 38 52.745 50.440 49.419 296 HB THR 38 HB THR 38 51.608 51.402 47.152 297 HG1 THR 38 1HG THR 38 49.642 50.635 47.409 298 1HG2 THR 38 1HG2 THR 38 52.128 49.055 45.984 299 2HG2 THR 38 2HG2 THR 38 52.704 48.542 47.615 300 3HG2 THR 38 3HG2 THR 38 53.472 49.967 46.744 301 H GLN 39 H GLN 39 50.523 50.835 51.339 302 HA GLN 39 HA GLN 39 48.945 52.574 51.783 303 1HB GLN 39 2HB GLN 39 51.829 52.842 52.798 304 2HB GLN 39 1HB GLN 39 50.495 53.997 53.288 305 1HG GLN 39 2HG GLN 39 49.205 52.399 54.284 306 2HG GLN 39 1HG GLN 39 49.841 51.032 53.242 307 1HE2 GLN 39 1HE2 GLN 39 51.171 53.648 55.175 308 2HE2 GLN 39 2HE2 GLN 39 52.271 52.730 56.187 309 H THR 40 H THR 40 48.289 53.548 50.095 310 HA THR 40 HA THR 40 49.647 55.859 48.931 311 HB THR 40 HB THR 40 46.592 55.326 48.878 312 HG1 THR 40 1HG THR 40 47.021 53.772 47.525 313 1HG2 THR 40 1HG2 THR 40 48.521 57.211 47.520 314 2HG2 THR 40 2HG2 THR 40 46.723 57.338 47.753 315 3HG2 THR 40 3HG2 THR 40 47.371 56.395 46.372 316 H LYS 41 H LYS 41 49.667 57.853 49.420 317 HA LYS 41 HA LYS 41 47.526 58.882 51.286 318 1HB LYS 41 2HB LYS 41 49.356 59.492 53.031 319 2HB LYS 41 1HB LYS 41 49.299 57.708 52.709 320 1HG LYS 41 2HG LYS 41 51.367 57.668 51.791 321 2HG LYS 41 1HG LYS 41 51.139 59.290 50.956 322 1HD LYS 41 2HD LYS 41 51.524 59.197 54.002 323 2HD LYS 41 1HD LYS 41 52.963 59.156 52.896 324 1HE LYS 41 2HE LYS 41 52.806 61.389 52.993 325 2HE LYS 41 1HE LYS 41 51.556 61.072 51.694 326 1HZ LYS 41 1HZ LYS 41 51.177 62.208 54.304 327 2HZ LYS 41 2HZ LYS 41 50.238 60.827 54.079 328 3HZ LYS 41 3HZ LYS 41 50.130 62.085 53.007 329 H ILE 42 H ILE 42 47.862 61.283 51.749 330 HA ILE 42 HA ILE 42 49.963 62.417 49.958 331 HB ILE 42 HB ILE 42 48.739 62.232 48.008 332 1HG1 ILE 42 2HG1 ILE 42 46.995 64.405 49.208 333 2HG1 ILE 42 1HG1 ILE 42 48.631 64.647 48.437 334 1HG2 ILE 42 1HG2 ILE 42 47.210 60.680 48.708 335 2HG2 ILE 42 2HG2 ILE 42 46.130 61.972 48.100 336 3HG2 ILE 42 3HG2 ILE 42 46.363 61.718 49.876 337 1HD1 ILE 42 1HD1 ILE 42 46.002 63.771 47.171 338 2HD1 ILE 42 2HD1 ILE 42 47.541 63.179 46.430 339 3HD1 ILE 42 3HD1 ILE 42 47.221 64.959 46.504 340 H ILE 43 H ILE 43 50.708 64.052 50.847 341 HA ILE 43 HA ILE 43 49.314 65.563 52.955 342 HB ILE 43 HB ILE 43 51.903 66.043 51.482 343 1HG1 ILE 43 2HG1 ILE 43 51.871 64.432 54.103 344 2HG1 ILE 43 1HG1 ILE 43 51.567 63.532 52.563 345 1HG2 ILE 43 1HG2 ILE 43 52.552 66.438 54.095 346 2HG2 ILE 43 2HG2 ILE 43 50.730 66.713 54.249 347 3HG2 ILE 43 3HG2 ILE 43 51.682 67.775 53.165 348 1HD1 ILE 43 1HD1 ILE 43 53.743 65.395 52.083 349 2HD1 ILE 43 2HD1 ILE 43 53.879 63.585 52.233 350 3HD1 ILE 43 3HD1 ILE 43 54.122 64.579 53.675 351 H VAL 44 H VAL 44 49.516 67.823 53.016 352 HA VAL 44 HA VAL 44 49.896 69.423 50.602 353 HB VAL 44 HB VAL 44 47.731 68.317 50.092 354 1HG1 VAL 44 1HG1 VAL 44 47.005 68.659 52.657 355 2HG1 VAL 44 2HG1 VAL 44 45.858 68.408 51.213 356 3HG1 VAL 44 3HG1 VAL 44 46.128 70.054 51.843 357 1HG2 VAL 44 1HG2 VAL 44 46.658 71.092 50.234 358 2HG2 VAL 44 2HG2 VAL 44 47.359 70.205 48.828 359 3HG2 VAL 44 3HG2 VAL 44 48.416 71.208 49.905 360 H GLN 45 H GLN 45 51.092 70.833 51.724 361 HA GLN 45 HA GLN 45 49.896 72.026 54.110 362 1HB GLN 45 2HB GLN 45 52.025 71.133 54.411 363 2HB GLN 45 1HB GLN 45 52.763 71.886 52.921 364 1HG GLN 45 2HG GLN 45 52.218 74.215 54.023 365 2HG GLN 45 1HG GLN 45 51.867 73.164 55.541 366 1HE2 GLN 45 2HE2 GLN 45 53.406 73.754 56.652 367 2HE2 GLN 45 1HE2 GLN 45 55.265 73.484 56.278 368 H ASP 46 H ASP 46 49.796 73.923 54.645 369 HA ASP 46 HA ASP 46 49.789 75.938 52.400 370 1HB ASP 46 2HB ASP 46 47.723 75.032 54.321 371 2HB ASP 46 1HB ASP 46 47.890 76.872 54.310 372 H GLY 47 H GLY 47 50.764 75.339 55.703 373 1HA GLY 47 1HA GLY 47 52.741 77.039 56.112 374 2HA GLY 47 2HA GLY 47 51.462 78.325 55.939 375 H ASP 48 H ASP 48 52.819 75.818 57.672 376 HA ASP 48 HA ASP 48 53.089 75.453 59.957 377 1HB ASP 48 2HB ASP 48 50.875 77.545 60.485 378 2HB ASP 48 1HB ASP 48 52.323 77.077 61.598 379 H ASN 49 H ASN 49 50.375 75.068 58.249 380 HA ASN 49 HA ASN 49 49.162 72.916 59.963 381 1HB ASN 49 2HB ASN 49 46.860 73.940 59.006 382 2HB ASN 49 1HB ASN 49 47.620 74.534 60.575 383 1HD2 ASN 49 1HD2 ASN 49 46.954 75.070 57.218 384 2HD2 ASN 49 2HD2 ASN 49 47.404 76.911 57.261 385 H PHE 50 H PHE 50 49.376 71.195 58.740 386 HA PHE 50 HA PHE 50 48.576 71.384 55.854 387 1HB PHE 50 2HB PHE 50 50.395 69.990 55.208 388 2HB PHE 50 1HB PHE 50 51.136 71.305 56.266 389 HD1 PHE 50 HD1 PHE 50 50.599 67.754 55.888 390 HD2 PHE 50 HD2 PHE 50 51.445 70.914 58.690 391 HE1 PHE 50 HE1 PHE 50 51.455 66.090 57.552 392 HE2 PHE 50 HE2 PHE 50 52.272 69.319 60.335 393 HZ PHE 50 HZ PHE 50 52.265 66.856 59.721 394 H LYS 51 H LYS 51 48.271 69.114 54.887 395 HA LYS 51 HA LYS 51 47.211 67.349 57.039 396 1HB LYS 51 2HB LYS 51 45.298 68.761 56.749 397 2HB LYS 51 1HB LYS 51 45.489 68.819 54.916 398 1HG LYS 51 2HG LYS 51 45.052 66.095 56.282 399 2HG LYS 51 1HG LYS 51 43.667 67.313 56.193 400 1HD LYS 51 2HD LYS 51 44.362 67.530 53.748 401 2HD LYS 51 1HD LYS 51 45.244 65.906 54.041 402 1HE LYS 51 2HE LYS 51 43.144 65.260 53.215 403 2HE LYS 51 1HE LYS 51 43.031 65.115 55.053 404 1HZ LYS 51 1HZ LYS 51 41.299 66.535 53.406 405 2HZ LYS 51 2HZ LYS 51 42.296 67.717 54.022 406 3HZ LYS 51 3HZ LYS 51 41.464 66.686 55.055 407 H THR 52 H THR 52 47.028 65.353 56.713 408 HA THR 52 HA THR 52 47.470 64.351 53.919 409 HB THR 52 HB THR 52 49.667 64.310 54.733 410 HG1 THR 52 1HG THR 52 48.648 62.020 56.009 411 1HG2 THR 52 1HG2 THR 52 50.215 63.942 57.269 412 2HG2 THR 52 2HG2 THR 52 48.390 63.965 57.540 413 3HG2 THR 52 3HG2 THR 52 49.244 65.404 56.912 414 H LYS 53 H LYS 53 47.448 61.692 54.284 415 HA LYS 53 HA LYS 53 46.007 60.545 56.463 416 1HB LYS 53 2HB LYS 53 43.786 60.134 54.797 417 2HB LYS 53 1HB LYS 53 43.916 61.357 56.134 418 1HG LYS 53 2HG LYS 53 42.931 62.209 53.984 419 2HG LYS 53 1HG LYS 53 44.437 63.106 54.427 420 1HD LYS 53 2HD LYS 53 45.778 62.135 52.798 421 2HD LYS 53 1HD LYS 53 44.522 60.790 52.527 422 1HE LYS 53 2HE LYS 53 43.277 63.417 52.142 423 2HE LYS 53 1HE LYS 53 44.727 63.220 51.018 424 1HZ LYS 53 1HZ LYS 53 43.076 60.881 51.276 425 2HZ LYS 53 2HZ LYS 53 43.763 61.551 49.950 426 3HZ LYS 53 3HZ LYS 53 42.329 62.192 50.525 427 H THR 54 H THR 54 45.981 58.538 56.329 428 HA THR 54 HA THR 54 47.332 57.418 53.900 429 HB THR 54 HB THR 54 46.995 55.677 56.283 430 HG1 THR 54 1HG THR 54 47.435 57.652 57.226 431 1HG2 THR 54 1HG2 THR 54 48.355 55.027 54.264 432 2HG2 THR 54 2HG2 THR 54 49.523 55.272 55.671 433 3HG2 THR 54 3HG2 THR 54 49.348 56.509 54.390 434 H ASN 55 H ASN 55 46.725 55.844 52.676 435 HA ASN 55 HA ASN 55 43.910 54.899 53.005 436 1HB ASN 55 2HB ASN 55 45.497 54.940 50.443 437 2HB ASN 55 1HB ASN 55 43.630 54.833 50.685 438 1HD2 ASN 55 2HD2 ASN 55 43.434 56.845 52.587 439 2HD2 ASN 55 1HD2 ASN 55 43.842 58.464 51.731 440 H SER 56 H SER 56 45.649 53.751 54.414 441 HA SER 56 HA SER 56 46.864 51.249 53.397 442 1HB SER 56 2HB SER 56 46.252 51.338 56.286 443 2HB SER 56 1HB SER 56 47.880 51.543 55.360 444 HG SER 56 HG SER 56 47.610 53.593 55.406 445 H THR 57 H THR 57 43.775 52.463 54.185 446 HA THR 57 HA THR 57 41.696 51.588 54.348 447 HB THR 57 HB THR 57 41.155 49.306 53.674 448 HG1 THR 57 1HG THR 57 42.738 47.954 52.851 449 1HG2 THR 57 1HG2 THR 57 41.103 50.575 51.671 450 2HG2 THR 57 2HG2 THR 57 42.556 49.636 51.241 451 3HG2 THR 57 3HG2 THR 57 42.753 51.290 51.910 452 H PHE 58 H PHE 58 43.767 48.850 55.264 453 HA PHE 58 HA PHE 58 42.379 47.798 57.370 454 1HB PHE 58 2HB PHE 58 45.184 47.753 56.619 455 2HB PHE 58 1HB PHE 58 45.072 48.189 58.398 456 HD1 PHE 58 HD1 PHE 58 43.208 45.844 56.068 457 HD2 PHE 58 HD2 PHE 58 45.426 46.372 59.696 458 HE1 PHE 58 HE1 PHE 58 42.893 43.453 56.634 459 HE2 PHE 58 HE2 PHE 58 45.084 43.960 60.251 460 HZ PHE 58 HZ PHE 58 43.832 42.502 58.725 461 H ARG 59 H ARG 59 44.364 50.678 57.700 462 HA ARG 59 HA ARG 59 42.945 51.067 60.380 463 1HB ARG 59 2HB ARG 59 45.833 51.183 59.684 464 2HB ARG 59 1HB ARG 59 45.211 52.786 60.295 465 1HG ARG 59 2HG ARG 59 46.114 50.949 61.968 466 2HG ARG 59 1HG ARG 59 44.489 51.781 62.315 467 1HD ARG 59 2HD ARG 59 44.171 49.356 60.701 468 2HD ARG 59 1HD ARG 59 45.105 49.010 62.190 469 HE ARG 59 HE ARG 59 42.809 50.742 62.675 470 1HH1 ARG 59 2HH2 ARG 59 44.066 47.403 62.365 471 2HH1 ARG 59 1HH2 ARG 59 42.872 46.659 63.374 472 1HH2 ARG 59 1HH1 ARG 59 41.051 49.495 64.198 473 2HH2 ARG 59 2HH1 ARG 59 41.277 47.788 64.336 474 H ASN 60 H ASN 60 44.780 53.069 58.190 475 HA ASN 60 HA ASN 60 44.188 55.042 57.103 476 1HB ASN 60 2HB ASN 60 41.743 53.953 57.166 477 2HB ASN 60 1HB ASN 60 41.433 55.221 58.462 478 1HD2 ASN 60 1HD2 ASN 60 41.739 54.378 55.234 479 2HD2 ASN 60 2HD2 ASN 60 41.566 55.953 54.457 480 H TYR 61 H TYR 61 45.378 56.466 57.931 481 HA TYR 61 HA TYR 61 44.889 57.375 60.758 482 1HB TYR 61 2HB TYR 61 47.181 56.462 59.657 483 2HB TYR 61 1HB TYR 61 47.293 58.172 59.046 484 HD1 TYR 61 HD1 TYR 61 49.405 57.459 60.529 485 HD2 TYR 61 HD2 TYR 61 45.547 58.634 62.009 486 HE1 TYR 61 HE1 TYR 61 50.466 58.237 62.686 487 HE2 TYR 61 HE2 TYR 61 46.549 59.395 64.130 488 HH TYR 61 HH TYR 61 48.527 58.886 65.382 489 H ASP 62 H ASP 62 46.626 59.892 59.964 490 HA ASP 62 HA ASP 62 45.183 61.456 58.102 491 1HB ASP 62 2HB ASP 62 43.200 61.550 59.229 492 2HB ASP 62 1HB ASP 62 44.054 61.395 60.896 493 H LEU 63 H LEU 63 47.148 61.318 61.107 494 HA LEU 63 HA LEU 63 48.549 62.894 62.052 495 1HB LEU 63 2HB LEU 63 49.398 61.796 59.558 496 2HB LEU 63 1HB LEU 63 49.962 63.510 59.531 497 HG LEU 63 HG LEU 63 51.710 62.109 60.590 498 1HD1 LEU 63 1HD1 LEU 63 51.844 64.073 61.732 499 2HD1 LEU 63 2HD1 LEU 63 51.456 62.911 63.085 500 3HD1 LEU 63 3HD1 LEU 63 50.189 64.028 62.366 501 1HD2 LEU 63 1HD2 LEU 63 49.891 60.262 61.124 502 2HD2 LEU 63 2HD2 LEU 63 49.456 61.247 62.576 503 3HD2 LEU 63 3HD2 LEU 63 51.149 60.589 62.417 504 H ASP 64 H ASP 64 46.100 64.339 61.041 505 HA ASP 64 HA ASP 64 47.017 66.816 59.790 506 1HB ASP 64 2HB ASP 64 44.597 66.420 59.939 507 2HB ASP 64 1HB ASP 64 44.725 66.102 61.806 508 H PHE 65 H PHE 65 48.769 67.787 60.479 509 HA PHE 65 HA PHE 65 48.736 68.570 63.391 510 1HB PHE 65 2HB PHE 65 50.387 66.712 63.077 511 2HB PHE 65 1HB PHE 65 50.996 67.578 61.617 512 HD1 PHE 65 HD1 PHE 65 52.949 68.956 62.060 513 HD2 PHE 65 HD2 PHE 65 50.014 68.138 65.125 514 HE1 PHE 65 HE1 PHE 65 54.270 70.181 63.587 515 HE2 PHE 65 HE2 PHE 65 51.412 69.464 66.746 516 HZ PHE 65 HZ PHE 65 53.550 70.499 66.000 517 H THR 66 H THR 66 49.719 70.384 63.847 518 HA THR 66 HA THR 66 49.922 72.539 61.759 519 HB THR 66 HB THR 66 49.969 72.577 64.804 520 HG1 THR 66 1HG THR 66 47.665 73.389 64.074 521 1HG2 THR 66 1HG2 THR 66 49.175 74.846 62.730 522 2HG2 THR 66 2HG2 THR 66 50.736 74.758 63.609 523 3HG2 THR 66 3HG2 THR 66 49.227 75.002 64.539 524 H VAL 67 H VAL 67 51.898 72.236 60.909 525 HA VAL 67 HA VAL 67 54.313 71.414 62.020 526 HB VAL 67 HB VAL 67 53.471 73.491 60.037 527 1HG1 VAL 67 1HG1 VAL 67 56.308 73.288 61.174 528 2HG1 VAL 67 2HG1 VAL 67 55.321 74.810 60.924 529 3HG1 VAL 67 3HG1 VAL 67 55.988 73.928 59.492 530 1HG2 VAL 67 1HG2 VAL 67 54.503 70.791 60.135 531 2HG2 VAL 67 2HG2 VAL 67 55.660 71.746 59.096 532 3HG2 VAL 67 3HG2 VAL 67 53.854 71.675 58.732 533 H GLY 68 H GLY 68 55.516 71.769 63.543 534 1HA GLY 68 1HA GLY 68 56.879 72.997 64.936 535 2HA GLY 68 2HA GLY 68 56.178 74.563 64.287 536 H VAL 69 H VAL 69 53.365 73.201 64.966 537 HA VAL 69 HA VAL 69 53.518 74.151 67.835 538 HB VAL 69 HB VAL 69 51.401 74.075 65.554 539 1HG1 VAL 69 1HG1 VAL 69 51.023 74.356 68.536 540 2HG1 VAL 69 2HG1 VAL 69 49.990 73.571 67.337 541 3HG1 VAL 69 3HG1 VAL 69 50.001 75.385 67.379 542 1HG2 VAL 69 1HG2 VAL 69 51.315 76.592 66.139 543 2HG2 VAL 69 2HG2 VAL 69 52.825 76.037 65.300 544 3HG2 VAL 69 3HG2 VAL 69 52.836 76.363 67.097 545 H GLU 70 H GLU 70 53.895 72.404 68.827 546 HA GLU 70 HA GLU 70 53.054 69.836 68.237 547 1HB GLU 70 2HB GLU 70 54.423 70.848 70.321 548 2HB GLU 70 1HB GLU 70 52.750 70.700 71.147 549 1HG GLU 70 2HG GLU 70 52.569 68.430 70.673 550 2HG GLU 70 1HG GLU 70 54.358 68.355 70.009 551 H PHE 71 H PHE 71 51.481 68.480 68.776 552 HA PHE 71 HA PHE 71 48.992 69.651 69.942 553 1HB PHE 71 2HB PHE 71 48.583 70.816 68.136 554 2HB PHE 71 1HB PHE 71 49.385 69.673 66.973 555 HD1 PHE 71 HD1 PHE 71 47.870 68.287 65.593 556 HD2 PHE 71 HD2 PHE 71 46.485 70.004 69.238 557 HE1 PHE 71 HE1 PHE 71 45.640 67.484 65.097 558 HE2 PHE 71 HE2 PHE 71 44.145 69.168 68.764 559 HZ PHE 71 HZ PHE 71 43.763 67.873 66.608 560 H ASP 72 H ASP 72 48.136 68.051 70.974 561 HA ASP 72 HA ASP 72 48.396 65.324 70.854 562 1HB ASP 72 2HB ASP 72 46.007 65.280 71.828 563 2HB ASP 72 1HB ASP 72 47.118 66.488 72.674 564 H GLU 73 H GLU 73 48.162 64.018 69.333 565 HA GLU 73 HA GLU 73 46.387 64.528 66.946 566 1HB GLU 73 2HB GLU 73 49.000 63.466 67.435 567 2HB GLU 73 1HB GLU 73 47.985 62.081 66.905 568 1HG GLU 73 2HG GLU 73 48.172 64.828 65.569 569 2HG GLU 73 1HG GLU 73 48.964 63.254 64.901 570 H HIS 74 H HIS 74 47.048 61.885 69.317 571 HA HIS 74 HA HIS 74 45.700 60.293 70.103 572 1HB HIS 74 2HB HIS 74 43.788 62.364 69.435 573 2HB HIS 74 1HB HIS 74 43.132 60.786 68.773 574 HD1 HIS 74 HD1 HIS 74 42.071 62.357 71.510 575 HD2 HIS 74 HD2 HIS 74 44.616 59.040 71.179 576 HE1 HIS 74 HE1 HIS 74 41.935 61.057 73.732 577 HE2 HIS 74 HE2 HIS 74 43.436 59.084 73.543 578 H THR 75 H THR 75 46.543 58.714 69.319 579 HA THR 75 HA THR 75 46.505 57.951 66.548 580 HB THR 75 HB THR 75 47.207 55.684 68.192 581 HG1 THR 75 1HG THR 75 48.761 56.949 69.483 582 1HG2 THR 75 1HG2 THR 75 48.790 58.203 67.135 583 2HG2 THR 75 2HG2 THR 75 48.401 56.780 66.128 584 3HG2 THR 75 3HG2 THR 75 49.640 56.633 67.453 585 H LYS 76 H LYS 76 44.293 57.786 68.860 586 HA LYS 76 HA LYS 76 42.968 55.302 69.073 587 1HB LYS 76 2HB LYS 76 41.429 57.800 68.105 588 2HB LYS 76 1HB LYS 76 40.783 56.349 68.956 589 1HG LYS 76 2HG LYS 76 42.614 56.962 70.860 590 2HG LYS 76 1HG LYS 76 42.512 58.576 70.015 591 1HD LYS 76 2HD LYS 76 40.750 59.043 71.233 592 2HD LYS 76 1HD LYS 76 39.853 57.841 70.185 593 1HE LYS 76 2HE LYS 76 39.970 56.125 71.890 594 2HE LYS 76 1HE LYS 76 41.457 56.834 72.570 595 1HZ LYS 76 1HZ LYS 76 39.963 58.747 73.179 596 2HZ LYS 76 2HZ LYS 76 39.987 57.437 74.212 597 3HZ LYS 76 3HZ LYS 76 38.705 57.705 73.130 598 H GLY 77 H GLY 77 43.031 53.770 67.856 599 1HA GLY 77 1HA GLY 77 41.484 52.802 66.076 600 2HA GLY 77 2HA GLY 77 42.187 54.095 64.990 601 H LEU 78 H LEU 78 44.572 54.278 66.031 602 HA LEU 78 HA LEU 78 45.916 51.943 64.675 603 1HB LEU 78 2HB LEU 78 46.391 54.867 64.804 604 2HB LEU 78 1HB LEU 78 47.917 53.938 65.255 605 HG LEU 78 HG LEU 78 46.319 52.877 62.935 606 1HD1 LEU 78 1HD1 LEU 78 47.866 55.269 62.113 607 2HD1 LEU 78 2HD1 LEU 78 46.200 55.486 62.924 608 3HD1 LEU 78 3HD1 LEU 78 46.382 54.504 61.418 609 1HD2 LEU 78 1HD2 LEU 78 49.247 53.575 63.756 610 2HD2 LEU 78 2HD2 LEU 78 48.926 53.385 62.010 611 3HD2 LEU 78 3HD2 LEU 78 48.636 51.998 63.148 612 H ASP 79 H ASP 79 44.881 52.023 67.460 613 HA ASP 79 HA ASP 79 45.413 51.172 69.418 614 1HB ASP 79 2HB ASP 79 46.603 49.701 67.370 615 2HB ASP 79 1HB ASP 79 47.890 49.688 68.764 616 H GLY 80 H GLY 80 46.651 53.808 68.717 617 1HA GLY 80 1HA GLY 80 49.216 53.590 70.238 618 2HA GLY 80 2HA GLY 80 48.685 55.061 69.282 619 H ARG 81 H ARG 81 46.162 54.996 70.183 620 HA ARG 81 HA ARG 81 44.645 55.656 71.767 621 1HB ARG 81 2HB ARG 81 45.863 53.635 72.945 622 2HB ARG 81 1HB ARG 81 46.573 54.908 74.099 623 1HG ARG 81 2HG ARG 81 44.425 53.892 74.911 624 2HG ARG 81 1HG ARG 81 44.412 55.684 74.674 625 1HD ARG 81 2HD ARG 81 42.423 54.012 73.927 626 2HD ARG 81 1HD ARG 81 42.822 55.401 72.774 627 HE ARG 81 HE ARG 81 44.359 53.365 71.835 628 1HH1 ARG 81 1HH2 ARG 81 40.859 53.624 72.711 629 2HH1 ARG 81 2HH2 ARG 81 40.353 52.475 71.520 630 1HH2 ARG 81 1HH1 ARG 81 43.637 51.851 70.289 631 2HH2 ARG 81 2HH1 ARG 81 41.959 51.417 70.083 632 H ASN 82 H ASN 82 47.818 57.167 71.688 633 HA ASN 82 HA ASN 82 46.647 59.687 72.023 634 1HB ASN 82 2HB ASN 82 46.084 59.561 74.338 635 2HB ASN 82 1HB ASN 82 47.383 58.284 74.670 636 1HD2 ASN 82 2HD2 ASN 82 49.126 58.797 75.411 637 2HD2 ASN 82 1HD2 ASN 82 49.767 60.435 75.683 638 H VAL 83 H VAL 83 47.990 60.990 71.203 639 HA VAL 83 HA VAL 83 50.843 60.939 71.994 640 HB VAL 83 HB VAL 83 51.771 60.846 69.763 641 1HG1 VAL 83 1HG1 VAL 83 49.879 58.447 69.843 642 2HG1 VAL 83 2HG1 VAL 83 51.183 58.610 71.054 643 3HG1 VAL 83 3HG1 VAL 83 51.568 58.495 69.254 644 1HG2 VAL 83 1HG2 VAL 83 48.829 60.618 68.834 645 2HG2 VAL 83 2HG2 VAL 83 50.173 60.038 67.800 646 3HG2 VAL 83 3HG2 VAL 83 50.107 61.800 68.360 647 H LYS 84 H LYS 84 52.115 62.532 70.990 648 HA LYS 84 HA LYS 84 50.591 64.944 70.144 649 1HB LYS 84 2HB LYS 84 52.384 66.279 71.616 650 2HB LYS 84 1HB LYS 84 50.784 65.688 72.296 651 1HG LYS 84 2HG LYS 84 53.167 63.865 72.297 652 2HG LYS 84 1HG LYS 84 53.077 65.165 73.604 653 1HD LYS 84 2HD LYS 84 50.531 64.372 73.738 654 2HD LYS 84 1HD LYS 84 51.184 62.767 73.225 655 1HE LYS 84 2HE LYS 84 52.668 64.360 75.404 656 2HE LYS 84 1HE LYS 84 51.101 63.504 75.811 657 1HZ LYS 84 1HZ LYS 84 53.616 62.282 75.656 658 2HZ LYS 84 2HZ LYS 84 52.875 61.939 74.212 659 3HZ LYS 84 3HZ LYS 84 52.113 61.580 75.686 660 H THR 85 H THR 85 51.172 64.933 68.251 661 HA THR 85 HA THR 85 53.910 64.462 67.251 662 HB THR 85 HB THR 85 51.187 64.826 66.301 663 HG1 THR 85 1HG THR 85 51.903 63.167 65.063 664 1HG2 THR 85 1HG2 THR 85 52.168 66.487 64.688 665 2HG2 THR 85 2HG2 THR 85 52.433 64.932 63.816 666 3HG2 THR 85 3HG2 THR 85 53.791 65.743 64.765 667 H LEU 86 H LEU 86 55.384 65.548 66.549 668 HA LEU 86 HA LEU 86 55.093 68.516 66.418 669 1HB LEU 86 2HB LEU 86 56.169 67.579 68.685 670 2HB LEU 86 1HB LEU 86 57.620 67.275 67.554 671 HG LEU 86 HG LEU 86 56.837 69.911 66.917 672 1HD1 LEU 86 1HD1 LEU 86 56.928 70.941 69.295 673 2HD1 LEU 86 2HD1 LEU 86 56.929 69.267 69.971 674 3HD1 LEU 86 3HD1 LEU 86 55.493 69.819 69.039 675 1HD2 LEU 86 1HD2 LEU 86 59.039 70.375 68.088 676 2HD2 LEU 86 2HD2 LEU 86 59.178 68.758 67.198 677 3HD2 LEU 86 3HD2 LEU 86 58.944 68.801 68.972 678 H VAL 87 H VAL 87 55.570 69.052 64.493 679 HA VAL 87 HA VAL 87 57.790 67.695 62.989 680 HB VAL 87 HB VAL 87 55.224 69.202 62.131 681 1HG1 VAL 87 1HG1 VAL 87 55.911 69.187 59.833 682 2HG1 VAL 87 2HG1 VAL 87 57.187 67.984 60.229 683 3HG1 VAL 87 3HG1 VAL 87 57.420 69.709 60.691 684 1HG2 VAL 87 1HG2 VAL 87 54.854 67.147 60.754 685 2HG2 VAL 87 2HG2 VAL 87 54.838 66.757 62.539 686 3HG2 VAL 87 3HG2 VAL 87 56.257 66.346 61.443 687 H THR 88 H THR 88 59.315 68.926 62.131 688 HA THR 88 HA THR 88 59.292 71.873 62.273 689 HB THR 88 HB THR 88 61.693 71.491 63.305 690 HG1 THR 88 1HG THR 88 61.634 69.745 64.751 691 1HG2 THR 88 1HG2 THR 88 59.027 71.985 64.466 692 2HG2 THR 88 2HG2 THR 88 60.566 72.648 65.108 693 3HG2 THR 88 3HG2 THR 88 59.997 71.024 65.659 694 H TRP 89 H TRP 89 59.980 72.341 60.268 695 HA TRP 89 HA TRP 89 61.357 70.713 58.349 696 1HB TRP 89 2HB TRP 89 61.362 73.769 58.743 697 2HB TRP 89 1HB TRP 89 61.984 72.938 57.253 698 HD1 TRP 89 HD1 TRP 89 58.750 73.919 59.145 699 HE1 TRP 89 HE1 TRP 89 56.827 73.233 57.637 700 HE3 TRP 89 HE3 TRP 89 61.396 71.391 55.758 701 HZ2 TRP 89 HZ2 TRP 89 56.506 71.704 55.159 702 HZ3 TRP 89 HZ3 TRP 89 60.321 70.312 53.809 703 HH2 TRP 89 HH2 TRP 89 57.942 70.522 53.598 704 H GLU 90 H GLU 90 63.332 70.708 57.509 705 HA GLU 90 HA GLU 90 65.472 71.875 59.149 706 1HB GLU 90 2HB GLU 90 64.300 69.648 60.161 707 2HB GLU 90 1HB GLU 90 65.662 68.894 59.246 708 1HG GLU 90 2HG GLU 90 66.420 71.366 60.869 709 2HG GLU 90 1HG GLU 90 65.746 69.952 61.865 710 H GLY 91 H GLY 91 65.310 72.363 56.722 711 1HA GLY 91 1HA GLY 91 66.736 72.588 54.884 712 2HA GLY 91 2HA GLY 91 67.670 71.040 55.396 713 H ASN 92 H ASN 92 64.459 72.069 54.781 714 HA ASN 92 HA ASN 92 62.631 71.373 53.579 715 1HB ASN 92 2HB ASN 92 64.703 69.836 51.790 716 2HB ASN 92 1HB ASN 92 62.890 70.230 51.446 717 1HD2 ASN 92 1HD2 ASN 92 64.269 70.961 49.570 718 2HD2 ASN 92 2HD2 ASN 92 64.674 72.666 49.599 719 H THR 93 H THR 93 63.758 69.949 55.762 720 HA THR 93 HA THR 93 62.346 67.324 55.423 721 HB THR 93 HB THR 93 64.739 67.482 57.288 722 HG1 THR 93 1HG THR 93 65.980 67.034 55.597 723 1HG2 THR 93 1HG2 THR 93 64.712 64.982 56.134 724 2HG2 THR 93 2HG2 THR 93 62.981 65.450 55.843 725 3HG2 THR 93 3HG2 THR 93 63.576 65.260 57.539 726 H LEU 94 H LEU 94 60.660 67.718 56.320 727 HA LEU 94 HA LEU 94 59.685 69.301 58.322 728 1HB LEU 94 2HB LEU 94 57.785 67.551 58.436 729 2HB LEU 94 1HB LEU 94 58.281 68.129 56.792 730 HG LEU 94 HG LEU 94 60.038 66.012 57.496 731 1HD1 LEU 94 1HD1 LEU 94 58.935 64.485 58.798 732 2HD1 LEU 94 2HD1 LEU 94 57.707 64.326 57.526 733 3HD1 LEU 94 3HD1 LEU 94 57.447 65.533 58.892 734 1HD2 LEU 94 1HD2 LEU 94 59.102 64.792 55.642 735 2HD2 LEU 94 2HD2 LEU 94 59.111 66.583 55.218 736 3HD2 LEU 94 3HD2 LEU 94 57.577 65.716 55.653 737 H VAL 95 H VAL 95 61.465 66.415 58.766 738 HA VAL 95 HA VAL 95 61.739 64.966 60.519 739 HB VAL 95 HB VAL 95 62.464 67.741 61.677 740 1HG1 VAL 95 1HG1 VAL 95 64.352 66.110 62.844 741 2HG1 VAL 95 2HG1 VAL 95 62.906 64.995 62.761 742 3HG1 VAL 95 3HG1 VAL 95 62.781 66.669 63.477 743 1HG2 VAL 95 1HG2 VAL 95 64.464 67.674 60.510 744 2HG2 VAL 95 2HG2 VAL 95 63.507 66.637 59.343 745 3HG2 VAL 95 3HG2 VAL 95 64.579 65.838 60.527 746 H CYS 96 H CYS 96 59.815 64.230 61.298 747 HA CYS 96 HA CYS 96 58.362 65.717 63.360 748 1HB CYS 96 2HB CYS 96 57.437 64.082 61.315 749 2HB CYS 96 1HB CYS 96 57.680 62.781 62.474 750 HG CYS 96 HG CYS 96 56.338 65.453 63.676 751 H VAL 97 H VAL 97 57.725 64.404 65.278 752 HA VAL 97 HA VAL 97 59.271 62.207 66.277 753 HB VAL 97 HB VAL 97 59.778 64.101 68.285 754 1HG1 VAL 97 1HG1 VAL 97 61.230 62.210 66.743 755 2HG1 VAL 97 2HG1 VAL 97 62.092 63.387 67.801 756 3HG1 VAL 97 3HG1 VAL 97 61.840 63.765 66.028 757 1HG2 VAL 97 1HG2 VAL 97 60.570 65.325 65.621 758 2HG2 VAL 97 2HG2 VAL 97 60.858 65.949 67.304 759 3HG2 VAL 97 3HG2 VAL 97 59.121 65.799 66.608 760 H GLN 98 H GLN 98 57.562 61.201 66.867 761 HA GLN 98 HA GLN 98 55.298 62.346 68.329 762 1HB GLN 98 2HB GLN 98 55.868 60.091 66.777 763 2HB GLN 98 1HB GLN 98 55.517 59.396 68.473 764 1HG GLN 98 2HG GLN 98 53.340 60.314 68.486 765 2HG GLN 98 1HG GLN 98 53.712 61.466 67.076 766 1HE2 GLN 98 2HE2 GLN 98 54.362 60.426 65.100 767 2HE2 GLN 98 1HE2 GLN 98 53.455 58.975 64.630 768 H LYS 99 H LYS 99 54.430 61.863 70.156 769 HA LYS 99 HA LYS 99 56.242 60.658 72.291 770 1HB LYS 99 2HB LYS 99 54.569 62.856 73.230 771 2HB LYS 99 1HB LYS 99 56.266 62.384 73.655 772 1HG LYS 99 2HG LYS 99 55.628 63.710 70.963 773 2HG LYS 99 1HG LYS 99 55.832 64.726 72.450 774 1HD LYS 99 2HD LYS 99 58.159 63.478 72.662 775 2HD LYS 99 1HD LYS 99 57.853 62.876 70.955 776 1HE LYS 99 2HE LYS 99 59.111 64.932 70.784 777 2HE LYS 99 1HE LYS 99 57.414 65.355 70.422 778 1HZ LYS 99 1HZ LYS 99 57.259 65.870 72.953 779 2HZ LYS 99 2HZ LYS 99 58.119 66.940 72.046 780 3HZ LYS 99 3HZ LYS 99 58.931 65.816 72.960 781 H GLY 100 H GLY 100 54.966 60.262 74.235 782 1HA GLY 100 1HA GLY 100 53.000 59.527 75.331 783 2HA GLY 100 2HA GLY 100 51.974 60.003 73.892 784 H GLU 101 H GLU 101 54.487 58.088 75.121 785 HA GLU 101 HA GLU 101 54.906 55.920 75.454 786 1HB GLU 101 2HB GLU 101 52.150 55.614 74.210 787 2HB GLU 101 1HB GLU 101 53.349 54.422 73.537 788 1HG GLU 101 2HG GLU 101 53.206 53.263 75.507 789 2HG GLU 101 1HG GLU 101 53.667 54.787 76.446 790 H LYS 102 H LYS 102 55.232 57.873 72.966 791 HA LYS 102 HA LYS 102 56.859 55.883 71.373 792 1HB LYS 102 2HB LYS 102 55.426 58.480 70.672 793 2HB LYS 102 1HB LYS 102 57.007 58.100 69.802 794 1HG LYS 102 2HG LYS 102 55.493 56.896 68.434 795 2HG LYS 102 1HG LYS 102 55.867 55.670 69.697 796 1HD LYS 102 2HD LYS 102 53.857 56.767 71.068 797 2HD LYS 102 1HD LYS 102 53.369 57.416 69.469 798 1HE LYS 102 2HE LYS 102 54.087 54.447 69.939 799 2HE LYS 102 1HE LYS 102 52.447 55.146 70.251 800 1HZ LYS 102 1HZ LYS 102 52.108 55.197 67.923 801 2HZ LYS 102 2HZ LYS 102 53.442 54.224 67.824 802 3HZ LYS 102 3HZ LYS 102 53.617 55.832 67.622 803 H GLU 103 H GLU 103 57.412 59.385 71.537 804 HA GLU 103 HA GLU 103 59.093 60.595 72.271 805 1HB GLU 103 2HB GLU 103 60.332 58.180 73.770 806 2HB GLU 103 1HB GLU 103 60.408 59.947 74.133 807 1HG GLU 103 2HG GLU 103 57.958 59.978 74.575 808 2HG GLU 103 1HG GLU 103 58.029 58.089 74.489 809 H ASN 104 H ASN 104 59.298 58.286 70.124 810 HA ASN 104 HA ASN 104 61.810 59.306 69.168 811 1HB ASN 104 2HB ASN 104 62.402 57.485 70.996 812 2HB ASN 104 1HB ASN 104 61.596 56.254 69.940 813 1HD2 ASN 104 1HD2 ASN 104 63.037 55.116 69.159 814 2HD2 ASN 104 2HD2 ASN 104 64.617 55.736 68.276 815 H ARG 105 H ARG 105 59.160 59.337 68.111 816 HA ARG 105 HA ARG 105 59.524 57.456 65.877 817 1HB ARG 105 2HB ARG 105 57.475 56.759 67.418 818 2HB ARG 105 1HB ARG 105 56.815 58.362 66.988 819 1HG ARG 105 2HG ARG 105 57.297 57.664 64.491 820 2HG ARG 105 1HG ARG 105 57.399 55.964 65.118 821 1HD ARG 105 2HD ARG 105 55.133 57.348 66.313 822 2HD ARG 105 1HD ARG 105 55.032 57.465 64.499 823 HE ARG 105 HE ARG 105 55.832 54.857 65.723 824 1HH1 ARG 105 1HH2 ARG 105 53.058 56.816 64.191 825 2HH1 ARG 105 2HH2 ARG 105 52.153 55.356 63.897 826 1HH2 ARG 105 2HH1 ARG 105 54.315 52.995 65.159 827 2HH2 ARG 105 1HH1 ARG 105 52.776 53.375 64.378 828 H GLY 106 H GLY 106 60.620 58.767 64.886 829 1HA GLY 106 1HA GLY 106 59.222 61.269 63.775 830 2HA GLY 106 2HA GLY 106 60.974 61.098 64.197 831 H TRP 107 H TRP 107 59.135 61.531 61.789 832 HA TRP 107 HA TRP 107 60.609 59.784 59.922 833 1HB TRP 107 2HB TRP 107 58.649 61.155 58.345 834 2HB TRP 107 1HB TRP 107 58.698 59.401 58.777 835 HD1 TRP 107 HD1 TRP 107 57.708 59.129 61.687 836 HE1 TRP 107 HE1 TRP 107 55.600 60.043 62.624 837 HE3 TRP 107 HE3 TRP 107 57.075 62.603 58.233 838 HZ2 TRP 107 HZ2 TRP 107 53.831 62.139 61.879 839 HZ3 TRP 107 HZ3 TRP 107 55.048 64.116 58.384 840 HH2 TRP 107 HH2 TRP 107 53.500 63.843 60.193 841 H LYS 108 H LYS 108 61.636 60.318 58.260 842 HA LYS 108 HA LYS 108 62.222 63.245 57.747 843 1HB LYS 108 2HB LYS 108 64.196 60.819 57.598 844 2HB LYS 108 1HB LYS 108 64.619 62.608 57.409 845 1HG LYS 108 2HG LYS 108 63.570 62.957 59.724 846 2HG LYS 108 1HG LYS 108 63.852 61.143 59.942 847 1HD LYS 108 2HD LYS 108 65.842 62.154 60.870 848 2HD LYS 108 1HD LYS 108 66.284 61.480 59.258 849 1HE LYS 108 2HE LYS 108 65.195 64.262 59.219 850 2HE LYS 108 1HE LYS 108 66.597 64.109 60.357 851 1HZ LYS 108 1HZ LYS 108 66.964 64.612 57.807 852 2HZ LYS 108 2HZ LYS 108 66.837 62.988 57.667 853 3HZ LYS 108 3HZ LYS 108 68.080 63.619 58.596 854 H GLN 109 H GLN 109 60.632 63.003 56.403 855 HA GLN 109 HA GLN 109 61.264 61.534 53.840 856 1HB GLN 109 2HB GLN 109 58.885 61.731 54.947 857 2HB GLN 109 1HB GLN 109 58.834 63.415 54.222 858 1HG GLN 109 2HG GLN 109 58.792 62.464 52.059 859 2HG GLN 109 1HG GLN 109 59.772 60.976 52.598 860 1HE2 GLN 109 2HE2 GLN 109 56.950 62.829 53.576 861 2HE2 GLN 109 1HE2 GLN 109 55.788 61.309 53.632 862 H TRP 110 H TRP 110 63.126 62.913 53.001 863 HA TRP 110 HA TRP 110 62.530 65.881 53.159 864 1HB TRP 110 2HB TRP 110 64.759 66.219 52.894 865 2HB TRP 110 1HB TRP 110 64.626 64.810 54.074 866 HD1 TRP 110 HD1 TRP 110 65.556 65.700 50.528 867 HE1 TRP 110 HE1 TRP 110 66.940 63.682 49.533 868 HE3 TRP 110 HE3 TRP 110 64.840 62.708 54.316 869 HZ2 TRP 110 HZ2 TRP 110 67.505 61.091 50.581 870 HZ3 TRP 110 HZ3 TRP 110 65.784 60.418 54.410 871 HH2 TRP 110 HH2 TRP 110 67.095 59.658 52.551 872 H VAL 111 H VAL 111 61.726 63.583 51.124 873 HA VAL 111 HA VAL 111 60.930 63.557 48.870 874 HB VAL 111 HB VAL 111 61.153 66.615 49.262 875 1HG1 VAL 111 1HG1 VAL 111 60.612 65.979 46.901 876 2HG1 VAL 111 2HG1 VAL 111 59.131 66.615 47.778 877 3HG1 VAL 111 3HG1 VAL 111 59.350 64.848 47.504 878 1HG2 VAL 111 1HG2 VAL 111 59.636 64.674 50.795 879 2HG2 VAL 111 2HG2 VAL 111 58.518 65.520 49.642 880 3HG2 VAL 111 3HG2 VAL 111 59.576 66.495 50.776 881 H GLU 112 H GLU 112 61.990 62.785 47.384 882 HA GLU 112 HA GLU 112 64.199 64.375 46.180 883 1HB GLU 112 2HB GLU 112 64.085 61.469 47.010 884 2HB GLU 112 1HB GLU 112 64.867 61.861 45.466 885 1HG GLU 112 2HG GLU 112 65.442 63.791 47.707 886 2HG GLU 112 1HG GLU 112 66.080 62.011 47.937 887 H GLY 113 H GLY 113 61.160 63.706 45.819 888 1HA GLY 113 1HA GLY 113 59.741 63.748 43.859 889 2HA GLY 113 2HA GLY 113 61.223 63.964 42.889 890 H ASP 114 H ASP 114 58.641 62.095 43.624 891 HA ASP 114 HA ASP 114 57.955 59.863 43.076 892 1HB ASP 114 2HB ASP 114 60.027 59.967 40.778 893 2HB ASP 114 1HB ASP 114 58.234 59.530 40.747 894 H LYS 115 H LYS 115 59.946 59.908 44.950 895 HA LYS 115 HA LYS 115 60.588 57.381 45.501 896 1HB LYS 115 2HB LYS 115 62.277 58.227 43.148 897 2HB LYS 115 1HB LYS 115 63.219 57.654 44.583 898 1HG LYS 115 2HG LYS 115 60.820 56.007 43.592 899 2HG LYS 115 1HG LYS 115 62.487 55.830 42.912 900 1HD LYS 115 2HD LYS 115 63.424 55.380 45.107 901 2HD LYS 115 1HD LYS 115 61.905 55.920 45.962 902 1HE LYS 115 2HE LYS 115 61.397 53.591 45.912 903 2HE LYS 115 1HE LYS 115 60.804 54.154 44.302 904 1HZ LYS 115 1HZ LYS 115 62.806 52.273 44.852 905 2HZ LYS 115 2HZ LYS 115 63.529 53.565 44.008 906 3HZ LYS 115 3HZ LYS 115 62.265 52.764 43.338 907 H LEU 116 H LEU 116 60.259 58.263 47.399 908 HA LEU 116 HA LEU 116 62.475 60.142 48.164 909 1HB LEU 116 2HB LEU 116 60.478 59.996 50.260 910 2HB LEU 116 1HB LEU 116 61.003 61.422 49.271 911 HG LEU 116 HG LEU 116 58.970 59.329 48.282 912 1HD1 LEU 116 1HD1 LEU 116 57.148 60.778 49.184 913 2HD1 LEU 116 2HD1 LEU 116 58.334 62.134 49.418 914 3HD1 LEU 116 3HD1 LEU 116 58.365 60.594 50.479 915 1HD2 LEU 116 1HD2 LEU 116 58.931 62.211 47.399 916 2HD2 LEU 116 2HD2 LEU 116 58.567 60.679 46.431 917 3HD2 LEU 116 3HD2 LEU 116 60.261 61.146 46.811 918 H TYR 117 H TYR 117 63.137 60.079 50.493 919 HA TYR 117 HA TYR 117 63.284 57.147 51.159 920 1HB TYR 117 2HB TYR 117 65.416 59.203 50.532 921 2HB TYR 117 1HB TYR 117 65.612 58.346 52.090 922 HD1 TYR 117 HD1 TYR 117 67.458 58.188 49.496 923 HD2 TYR 117 HD2 TYR 117 64.255 55.557 50.815 924 HE1 TYR 117 HE1 TYR 117 68.381 56.315 48.229 925 HE2 TYR 117 HE2 TYR 117 65.245 53.782 49.535 926 HH TYR 117 HH TYR 117 66.985 53.818 47.210 927 H LEU 118 H LEU 118 61.454 57.657 52.301 928 HA LEU 118 HA LEU 118 61.762 59.389 54.681 929 1HB LEU 118 2HB LEU 118 59.595 59.101 53.775 930 2HB LEU 118 1HB LEU 118 59.630 57.296 53.841 931 HG LEU 118 HG LEU 118 59.862 57.582 56.473 932 1HD1 LEU 118 1HD1 LEU 118 58.494 60.143 56.392 933 2HD1 LEU 118 2HD1 LEU 118 60.104 60.327 55.529 934 3HD1 LEU 118 3HD1 LEU 118 59.966 59.704 57.257 935 1HD2 LEU 118 1HD2 LEU 118 57.356 58.687 54.931 936 2HD2 LEU 118 2HD2 LEU 118 57.406 58.271 56.742 937 3HD2 LEU 118 3HD2 LEU 118 57.592 56.993 55.478 938 H GLU 119 H GLU 119 62.480 58.877 56.670 939 HA GLU 119 HA GLU 119 63.456 56.009 57.103 940 1HB GLU 119 2HB GLU 119 64.969 58.266 58.430 941 2HB GLU 119 1HB GLU 119 65.429 56.636 57.855 942 1HG GLU 119 2HG GLU 119 64.929 57.412 55.431 943 2HG GLU 119 1HG GLU 119 64.822 59.114 56.163 944 H LEU 120 H LEU 120 61.988 55.178 58.325 945 HA LEU 120 HA LEU 120 61.001 56.932 60.491 946 1HB LEU 120 2HB LEU 120 60.148 54.291 59.465 947 2HB LEU 120 1HB LEU 120 59.730 54.632 61.204 948 HG LEU 120 HG LEU 120 58.973 56.060 58.605 949 1HD1 LEU 120 1HD1 LEU 120 57.488 54.156 59.876 950 2HD1 LEU 120 2HD1 LEU 120 56.681 55.642 59.209 951 3HD1 LEU 120 3HD1 LEU 120 57.027 55.512 60.980 952 1HD2 LEU 120 1HD2 LEU 120 57.613 57.621 60.375 953 2HD2 LEU 120 2HD2 LEU 120 59.336 58.072 60.036 954 3HD2 LEU 120 3HD2 LEU 120 58.905 57.117 61.506 955 H THR 121 H THR 121 61.609 56.975 62.348 956 HA THR 121 HA THR 121 63.631 54.932 63.291 957 HB THR 121 HB THR 121 64.124 56.761 65.076 958 HG1 THR 121 1HG THR 121 62.605 58.050 65.086 959 1HG2 THR 121 1HG2 THR 121 64.292 57.981 62.198 960 2HG2 THR 121 2HG2 THR 121 65.310 56.524 62.552 961 3HG2 THR 121 3HG2 THR 121 65.622 58.056 63.440 962 H CYS 122 H CYS 122 60.502 54.895 63.228 963 HA CYS 122 HA CYS 122 59.469 55.182 65.872 964 1HB CYS 122 2HB CYS 122 57.629 54.045 64.861 965 2HB CYS 122 1HB CYS 122 58.511 54.268 63.366 966 HG CYS 122 HG CYS 122 57.391 51.788 64.227 967 H GLY 123 H GLY 123 58.991 53.767 67.456 968 1HA GLY 123 1HA GLY 123 59.820 52.337 69.193 969 2HA GLY 123 2HA GLY 123 59.934 51.203 67.780 970 H ASP 124 H ASP 124 61.710 50.342 67.613 971 HA ASP 124 HA ASP 124 64.360 51.707 67.849 972 1HB ASP 124 2HB ASP 124 63.772 48.926 69.025 973 2HB ASP 124 1HB ASP 124 65.261 49.975 69.357 974 H GLN 125 H GLN 125 65.910 50.785 66.826 975 HA GLN 125 HA GLN 125 66.805 49.546 64.985 976 1HB GLN 125 2HB GLN 125 65.620 47.569 66.380 977 2HB GLN 125 1HB GLN 125 64.490 47.527 64.993 978 1HG GLN 125 2HG GLN 125 66.172 47.153 63.373 979 2HG GLN 125 1HG GLN 125 67.491 47.574 64.612 980 1HE2 GLN 125 2HE2 GLN 125 67.917 46.248 66.178 981 2HE2 GLN 125 1HE2 GLN 125 67.391 44.453 66.228 982 H VAL 126 H VAL 126 66.199 51.448 64.219 983 HA VAL 126 HA VAL 126 64.325 52.779 62.920 984 HB VAL 126 HB VAL 126 67.091 51.941 61.821 985 1HG1 VAL 126 1HG1 VAL 126 66.589 54.498 60.966 986 2HG1 VAL 126 2HG1 VAL 126 64.928 53.756 60.712 987 3HG1 VAL 126 3HG1 VAL 126 66.449 53.103 59.889 988 1HG2 VAL 126 1HG2 VAL 126 67.492 53.171 63.856 989 2HG2 VAL 126 2HG2 VAL 126 65.946 54.062 63.737 990 3HG2 VAL 126 3HG2 VAL 126 67.377 54.526 62.703 991 H CYS 127 H CYS 127 62.741 52.448 61.468 992 HA CYS 127 HA CYS 127 63.208 50.278 59.378 993 1HB CYS 127 2HB CYS 127 60.528 51.682 59.658 994 2HB CYS 127 1HB CYS 127 60.910 49.958 59.377 995 HG CYS 127 HG CYS 127 59.548 50.687 61.740 996 H ARG 128 H ARG 128 63.980 50.874 57.582 997 HA ARG 128 HA ARG 128 63.883 53.808 57.025 998 1HB ARG 128 2HB ARG 128 65.948 52.586 56.548 999 2HB ARG 128 1HB ARG 128 65.021 51.336 55.600 1000 1HG ARG 128 2HG ARG 128 64.356 53.051 53.894 1001 2HG ARG 128 1HG ARG 128 65.280 54.320 54.748 1002 1HD ARG 128 2HD ARG 128 66.587 51.667 53.963 1003 2HD ARG 128 1HD ARG 128 66.532 53.079 52.765 1004 HE ARG 128 HE ARG 128 68.130 52.839 55.248 1005 1HH1 ARG 128 1HH2 ARG 128 66.833 54.971 52.633 1006 2HH1 ARG 128 2HH2 ARG 128 68.102 56.178 52.916 1007 1HH2 ARG 128 1HH1 ARG 128 69.763 54.556 55.513 1008 2HH2 ARG 128 2HH1 ARG 128 69.648 55.947 54.476 1009 H GLN 129 H GLN 129 62.129 54.743 56.215 1010 HA GLN 129 HA GLN 129 60.247 52.897 55.016 1011 1HB GLN 129 2HB GLN 129 60.308 55.739 55.786 1012 2HB GLN 129 1HB GLN 129 59.422 55.460 54.178 1013 1HG GLN 129 2HG GLN 129 57.892 55.229 56.193 1014 2HG GLN 129 1HG GLN 129 58.032 53.802 55.022 1015 1HE2 GLN 129 1HE2 GLN 129 56.963 53.271 57.438 1016 2HE2 GLN 129 2HE2 GLN 129 58.094 52.553 58.565 1017 H VAL 130 H VAL 130 59.125 53.170 52.801 1018 HA VAL 130 HA VAL 130 61.139 54.111 50.793 1019 HB VAL 130 HB VAL 130 59.710 51.468 50.314 1020 1HG1 VAL 130 1HG1 VAL 130 62.535 52.489 49.480 1021 2HG1 VAL 130 2HG1 VAL 130 61.070 52.811 48.528 1022 3HG1 VAL 130 3HG1 VAL 130 61.616 51.092 48.773 1023 1HG2 VAL 130 1HG2 VAL 130 60.792 50.855 52.287 1024 2HG2 VAL 130 2HG2 VAL 130 62.291 51.759 51.961 1025 3HG2 VAL 130 3HG2 VAL 130 61.955 50.313 50.938 1026 H PHE 131 H PHE 131 60.037 55.638 50.101 1027 HA PHE 131 HA PHE 131 57.167 55.263 49.241 1028 1HB PHE 131 2HB PHE 131 59.099 57.511 49.969 1029 2HB PHE 131 1HB PHE 131 57.737 57.934 48.852 1030 HD1 PHE 131 HD1 PHE 131 58.046 55.789 52.050 1031 HD2 PHE 131 HD2 PHE 131 56.056 58.958 49.948 1032 HE1 PHE 131 HE1 PHE 131 56.518 56.038 53.967 1033 HE2 PHE 131 HE2 PHE 131 54.557 59.180 51.843 1034 HZ PHE 131 HZ PHE 131 54.789 57.695 53.891 1035 H LYS 132 H LYS 132 56.672 56.793 47.268 1036 HA LYS 132 HA LYS 132 58.663 57.137 45.270 1037 1HB LYS 132 2HB LYS 132 58.149 55.236 43.779 1038 2HB LYS 132 1HB LYS 132 58.392 54.507 45.420 1039 1HG LYS 132 2HG LYS 132 56.195 53.881 45.627 1040 2HG LYS 132 1HG LYS 132 55.499 55.198 44.543 1041 1HD LYS 132 2HD LYS 132 56.245 54.223 42.591 1042 2HD LYS 132 1HD LYS 132 57.282 52.985 43.506 1043 1HE LYS 132 2HE LYS 132 55.350 51.770 44.144 1044 2HE LYS 132 1HE LYS 132 54.277 53.234 43.904 1045 1HZ LYS 132 1HZ LYS 132 55.217 51.144 42.124 1046 2HZ LYS 132 2HZ LYS 132 55.319 52.686 41.446 1047 3HZ LYS 132 3HZ LYS 132 53.855 52.048 41.949 1048 H LYS 133 H LYS 133 57.050 56.703 43.100 1049 HA LYS 133 HA LYS 133 55.180 57.407 41.904 1050 1HB LYS 133 2HB LYS 133 53.812 56.264 43.397 1051 2HB LYS 133 1HB LYS 133 53.926 57.551 44.648 1052 1HG LYS 133 2HG LYS 133 52.292 58.767 43.708 1053 2HG LYS 133 1HG LYS 133 53.019 58.667 42.015 1054 1HD LYS 133 2HD LYS 133 51.820 56.693 41.468 1055 2HD LYS 133 1HD LYS 133 51.329 56.449 43.217 1056 1HE LYS 133 2HE LYS 133 49.932 58.369 43.246 1057 2HE LYS 133 1HE LYS 133 50.764 59.041 41.736 1058 1HZ LYS 133 1HZ LYS 133 48.638 58.208 41.142 1059 2HZ LYS 133 2HZ LYS 133 48.970 56.666 41.690 1060 3HZ LYS 133 3HZ LYS 133 49.839 57.336 40.409 1061 H LYS 134 H LYS 134 53.968 59.681 44.150 1062 HA LYS 134 HA LYS 134 55.183 61.780 42.301 1063 1HB LYS 134 2HB LYS 134 52.608 62.253 44.003 1064 2HB LYS 134 1HB LYS 134 53.205 63.148 42.583 1065 1HG LYS 134 2HG LYS 134 51.951 60.347 42.660 1066 2HG LYS 134 1HG LYS 134 51.360 61.860 41.819 1067 1HD LYS 134 2HD LYS 134 53.887 60.316 41.061 1068 2HD LYS 134 1HD LYS 134 52.293 60.359 40.170 1069 1HE LYS 134 2HE LYS 134 53.994 62.856 40.776 1070 2HE LYS 134 1HE LYS 134 53.950 61.891 39.193 1071 1HZ LYS 134 1HZ LYS 134 51.354 62.271 39.613 1072 2HZ LYS 134 2HZ LYS 134 52.279 63.342 38.711 1073 3HZ LYS 134 3HZ LYS 134 51.941 63.694 40.251 1074 1H2 RTL 135 1H2 RET 135 49.387 50.110 57.530 1075 2H2 RTL 135 2H2 RET 135 47.799 50.309 58.041 1076 1H3 RTL 135 1H3 RET 135 48.246 48.657 59.675 1077 2H3 RTL 135 2H3 RET 135 49.832 48.576 59.147 1078 1H4 RTL 135 1H4 RET 135 49.896 49.055 61.452 1079 2H4 RTL 135 2H4 RET 135 48.716 50.307 61.331 1080 H7 RTL 135 H7 RET 135 52.289 52.490 58.942 1081 H8 RTL 135 H8 RET 135 50.064 54.484 59.826 1082 H10 RTL 135 H10 RET 135 50.573 56.002 57.610 1083 H11 RTL 135 H11 RET 135 53.320 56.890 57.326 1084 H12 RTL 135 H12 RET 135 51.098 58.934 58.082 1085 H14 RTL 135 H14 RET 135 51.668 60.269 55.785 1086 1H15 RTL 135 1H15 RET 135 53.643 61.390 54.729 1087 2H15 RTL 135 2H15 RET 135 54.450 61.453 56.368 1088 HO1 RTL 135 H51 RET 135 53.073 62.997 56.908 1089 1H16 RTL 135 1H16 RET 135 48.572 52.349 56.945 1090 2H16 RTL 135 2H16 RET 135 50.141 52.976 57.315 1091 3H16 RTL 135 3H16 RET 135 48.693 53.716 58.057 1092 1H17 RTL 135 1H17 RET 135 47.680 51.848 60.429 1093 2H17 RTL 135 2H17 RET 135 47.155 52.618 58.959 1094 3H17 RTL 135 3H17 RET 135 48.325 53.417 60.073 1095 1H18 RTL 135 1H18 RET 135 52.681 51.210 61.085 1096 2H18 RTL 135 2H18 RET 135 52.061 49.675 61.714 1097 3H18 RTL 135 3H18 RET 135 51.607 51.281 62.451 1098 1H19 RTL 135 1H19 RET 135 53.364 54.305 60.252 1099 2H19 RTL 135 2H19 RET 135 53.118 55.974 60.704 1100 3H19 RTL 135 3H19 RET 135 54.018 55.542 59.179 1101 1H20 RTL 135 1H20 RET 135 54.244 58.902 58.853 1102 2H20 RTL 135 2H20 RET 135 54.406 60.650 58.508 1103 3H20 RTL 135 3H20 RET 135 55.054 59.416 57.392 Start of MODEL 8 1 1H MET 1 1H MET 1 59.730 78.209 45.070 2 2H MET 1 2H MET 1 61.145 77.921 44.290 3 3H MET 1 3H MET 1 61.085 78.088 45.985 4 HA MET 1 HA MET 1 59.597 76.061 46.075 5 1HB MET 1 2HB MET 1 59.418 76.279 43.381 6 2HB MET 1 1HB MET 1 60.993 75.392 43.419 7 1HG MET 1 2HG MET 1 60.113 73.567 44.736 8 2HG MET 1 1HG MET 1 58.651 74.433 45.165 9 1HE MET 1 1HE MET 1 56.623 74.489 41.805 10 2HE MET 1 2HE MET 1 57.626 75.848 42.439 11 3HE MET 1 3HE MET 1 56.670 74.958 43.561 12 H THR 2 H THR 2 60.914 75.463 47.702 13 HA THR 2 HA THR 2 63.701 74.605 46.891 14 HB THR 2 HB THR 2 62.685 75.709 49.590 15 HG1 THR 2 1HG THR 2 63.906 77.328 49.241 16 1HG2 THR 2 1HG2 THR 2 65.328 75.133 50.146 17 2HG2 THR 2 2HG2 THR 2 65.320 74.339 48.544 18 3HG2 THR 2 3HG2 THR 2 64.309 73.690 49.873 19 H LYS 3 H LYS 3 60.987 74.323 49.220 20 HA LYS 3 HA LYS 3 61.484 71.297 49.173 21 1HB LYS 3 2HB LYS 3 61.144 71.256 51.603 22 2HB LYS 3 1HB LYS 3 62.443 72.516 51.353 23 1HG LYS 3 2HG LYS 3 59.977 73.897 50.972 24 2HG LYS 3 1HG LYS 3 59.703 72.728 52.300 25 1HD LYS 3 2HD LYS 3 61.980 73.704 53.337 26 2HD LYS 3 1HD LYS 3 61.897 74.939 52.059 27 1HE LYS 3 2HE LYS 3 59.429 75.292 52.840 28 2HE LYS 3 1HE LYS 3 60.008 74.421 54.349 29 1HZ LYS 3 1HZ LYS 3 60.695 77.132 53.276 30 2HZ LYS 3 2HZ LYS 3 61.941 76.249 53.895 31 3HZ LYS 3 3HZ LYS 3 60.581 76.692 54.828 32 H ASP 4 H ASP 4 59.377 72.950 47.846 33 HA ASP 4 HA ASP 4 56.890 72.848 49.157 34 1HB ASP 4 2HB ASP 4 57.739 72.624 46.219 35 2HB ASP 4 1HB ASP 4 56.031 72.162 46.748 36 H GLN 5 H GLN 5 56.117 71.225 50.317 37 HA GLN 5 HA GLN 5 56.755 68.411 49.774 38 1HB GLN 5 2HB GLN 5 55.580 70.197 51.909 39 2HB GLN 5 1HB GLN 5 54.652 68.625 51.655 40 1HG GLN 5 2HG GLN 5 57.584 68.285 51.726 41 2HG GLN 5 1HG GLN 5 56.781 68.806 53.321 42 1HE2 GLN 5 1HE2 GLN 5 57.161 66.369 50.861 43 2HE2 GLN 5 2HE2 GLN 5 56.202 65.110 51.672 44 H ASN 6 H ASN 6 53.621 69.808 50.346 45 HA ASN 6 HA ASN 6 51.593 68.577 49.530 46 1HB ASN 6 2HB ASN 6 52.295 70.740 47.422 47 2HB ASN 6 1HB ASN 6 50.639 70.269 48.092 48 1HD2 ASN 6 2HD2 ASN 6 51.145 72.749 48.078 49 2HD2 ASN 6 1HD2 ASN 6 51.527 73.384 49.809 50 H GLY 7 H GLY 7 51.694 66.612 48.808 51 1HA GLY 7 1HA GLY 7 51.472 66.464 45.846 52 2HA GLY 7 2HA GLY 7 52.933 65.672 46.592 53 H THR 8 H THR 8 52.330 63.807 45.784 54 HA THR 8 HA THR 8 50.390 62.371 47.428 55 HB THR 8 HB THR 8 50.354 62.646 44.355 56 HG1 THR 8 1HG THR 8 48.008 62.166 45.555 57 1HG2 THR 8 1HG2 THR 8 48.776 60.550 44.386 58 2HG2 THR 8 2HG2 THR 8 48.996 60.387 46.165 59 3HG2 THR 8 3HG2 THR 8 50.365 60.001 45.069 60 H TRP 9 H TRP 9 50.876 60.247 47.550 61 HA TRP 9 HA TRP 9 53.323 59.379 46.192 62 1HB TRP 9 2HB TRP 9 54.171 59.110 48.990 63 2HB TRP 9 1HB TRP 9 55.030 59.909 47.639 64 HD1 TRP 9 HD1 TRP 9 51.789 60.562 49.676 65 HE1 TRP 9 HE1 TRP 9 51.643 62.968 50.563 66 HE3 TRP 9 HE3 TRP 9 56.027 62.016 47.775 67 HZ2 TRP 9 HZ2 TRP 9 53.290 65.149 50.311 68 HZ3 TRP 9 HZ3 TRP 9 56.829 64.326 48.074 69 HH2 TRP 9 HH2 TRP 9 55.551 65.907 49.291 70 H GLU 10 H GLU 10 51.733 57.818 45.554 71 HA GLU 10 HA GLU 10 50.708 55.827 47.278 72 1HB GLU 10 2HB GLU 10 51.253 56.080 44.357 73 2HB GLU 10 1HB GLU 10 51.818 54.451 44.941 74 1HG GLU 10 2HG GLU 10 49.178 55.210 46.122 75 2HG GLU 10 1HG GLU 10 49.296 55.092 44.252 76 H MET 11 H MET 11 51.837 54.961 48.783 77 HA MET 11 HA MET 11 54.697 54.599 48.963 78 1HB MET 11 2HB MET 11 52.219 53.681 50.409 79 2HB MET 11 1HB MET 11 53.552 52.414 50.356 80 1HG MET 11 2HG MET 11 54.940 54.775 50.975 81 2HG MET 11 1HG MET 11 53.415 54.998 51.805 82 1HE MET 11 1HE MET 11 52.256 53.122 53.081 83 2HE MET 11 2HE MET 11 53.183 53.889 54.440 84 3HE MET 11 3HE MET 11 53.091 52.134 54.274 85 H GLU 12 H GLU 12 55.785 52.677 49.260 86 HA GLU 12 HA GLU 12 55.164 50.573 47.232 87 1HB GLU 12 2HB GLU 12 56.791 51.617 45.896 88 2HB GLU 12 1HB GLU 12 57.708 52.228 47.302 89 1HG GLU 12 2HG GLU 12 58.776 50.097 47.580 90 2HG GLU 12 1HG GLU 12 57.282 49.208 46.919 91 H SER 13 H SER 13 57.324 51.540 49.973 92 HA SER 13 HA SER 13 56.686 48.869 51.180 93 1HB SER 13 2HB SER 13 59.466 49.727 50.162 94 2HB SER 13 1HB SER 13 59.298 48.576 51.582 95 HG SER 13 HG SER 13 59.210 47.964 49.062 96 H ASN 14 H ASN 14 57.826 48.418 52.953 97 HA ASN 14 HA ASN 14 58.747 50.566 54.805 98 1HB ASN 14 2HB ASN 14 57.050 48.425 56.075 99 2HB ASN 14 1HB ASN 14 56.895 50.242 56.217 100 1HD2 ASN 14 2HD2 ASN 14 56.410 47.403 54.155 101 2HD2 ASN 14 1HD2 ASN 14 54.952 48.129 53.238 102 H GLU 15 H GLU 15 60.650 50.114 55.354 103 HA GLU 15 HA GLU 15 61.550 47.465 54.934 104 1HB GLU 15 2HB GLU 15 62.558 50.066 55.997 105 2HB GLU 15 1HB GLU 15 63.379 48.715 56.851 106 1HG GLU 15 2HG GLU 15 63.017 48.321 53.887 107 2HG GLU 15 1HG GLU 15 64.375 49.472 54.531 108 H ASN 16 H ASN 16 61.523 49.148 58.120 109 HA ASN 16 HA ASN 16 61.250 46.478 59.390 110 1HB ASN 16 2HB ASN 16 62.167 49.129 60.285 111 2HB ASN 16 1HB ASN 16 60.889 48.396 61.462 112 1HD2 ASN 16 1HD2 ASN 16 63.957 48.822 61.152 113 2HD2 ASN 16 2HD2 ASN 16 64.595 47.174 61.809 114 H PHE 17 H PHE 17 59.514 45.885 58.581 115 HA PHE 17 HA PHE 17 56.876 47.280 58.874 116 1HB PHE 17 2HB PHE 17 56.291 44.539 58.973 117 2HB PHE 17 1HB PHE 17 56.183 45.646 57.544 118 HD1 PHE 17 HD1 PHE 17 58.543 43.354 59.357 119 HD2 PHE 17 HD2 PHE 17 57.607 45.375 55.750 120 HE1 PHE 17 HE1 PHE 17 60.321 42.146 58.172 121 HE2 PHE 17 HE2 PHE 17 59.410 44.168 54.512 122 HZ PHE 17 HZ PHE 17 60.844 42.490 55.714 123 H GLU 18 H GLU 18 58.695 44.902 60.619 124 HA GLU 18 HA GLU 18 56.658 44.474 62.721 125 1HB GLU 18 2HB GLU 18 58.789 43.603 63.950 126 2HB GLU 18 1HB GLU 18 58.422 42.777 62.379 127 1HG GLU 18 2HG GLU 18 60.343 43.337 61.512 128 2HG GLU 18 1HG GLU 18 60.182 45.146 62.102 129 H GLY 19 H GLY 19 59.135 46.924 62.246 130 1HA GLY 19 1HA GLY 19 59.307 47.450 65.167 131 2HA GLY 19 2HA GLY 19 59.906 48.521 63.874 132 H TYR 20 H TYR 20 57.009 48.322 62.551 133 HA TYR 20 HA TYR 20 55.906 50.666 63.989 134 1HB TYR 20 2HB TYR 20 54.656 48.686 62.003 135 2HB TYR 20 1HB TYR 20 54.149 50.418 62.276 136 HD1 TYR 20 HD1 TYR 20 56.794 51.663 62.369 137 HD2 TYR 20 HD2 TYR 20 55.178 48.663 59.786 138 HE1 TYR 20 HE1 TYR 20 58.360 52.411 60.537 139 HE2 TYR 20 HE2 TYR 20 56.687 49.361 57.966 140 HH TYR 20 HH TYR 20 57.853 51.634 57.408 141 H MET 21 H MET 21 55.394 47.184 63.771 142 HA MET 21 HA MET 21 52.956 47.256 65.388 143 1HB MET 21 2HB MET 21 53.887 45.405 63.656 144 2HB MET 21 1HB MET 21 55.132 45.068 64.866 145 1HG MET 21 2HG MET 21 52.497 45.059 66.191 146 2HG MET 21 1HG MET 21 52.367 44.068 64.730 147 1HE MET 21 1HE MET 21 53.064 41.814 68.114 148 2HE MET 21 2HE MET 21 51.769 42.538 67.036 149 3HE MET 21 3HE MET 21 52.504 43.564 68.154 150 H LYS 22 H LYS 22 56.302 46.995 65.890 151 HA LYS 22 HA LYS 22 55.956 46.343 68.701 152 1HB LYS 22 2HB LYS 22 58.230 46.005 66.815 153 2HB LYS 22 1HB LYS 22 58.732 47.239 68.060 154 1HG LYS 22 2HG LYS 22 57.604 45.745 69.817 155 2HG LYS 22 1HG LYS 22 57.853 44.399 68.568 156 1HD LYS 22 2HD LYS 22 60.014 44.319 69.548 157 2HD LYS 22 1HD LYS 22 60.256 45.656 68.342 158 1HE LYS 22 2HE LYS 22 60.191 47.328 69.985 159 2HE LYS 22 1HE LYS 22 59.085 46.294 71.047 160 1HZ LYS 22 1HZ LYS 22 61.988 45.840 70.476 161 2HZ LYS 22 2HZ LYS 22 61.022 44.948 71.571 162 3HZ LYS 22 3HZ LYS 22 61.407 46.477 71.928 163 H ALA 23 H ALA 23 56.376 48.961 66.774 164 HA ALA 23 HA ALA 23 57.220 50.850 68.873 165 1HB ALA 23 1HB ALA 23 56.160 51.108 66.035 166 2HB ALA 23 2HB ALA 23 57.770 51.570 66.688 167 3HB ALA 23 3HB ALA 23 56.252 52.531 67.122 168 H LEU 24 H LEU 24 54.419 49.459 67.576 169 HA LEU 24 HA LEU 24 52.592 50.902 69.525 170 1HB LEU 24 2HB LEU 24 52.728 52.037 67.191 171 2HB LEU 24 1HB LEU 24 52.190 50.483 66.495 172 HG LEU 24 HG LEU 24 50.031 50.514 67.661 173 1HD1 LEU 24 1HD1 LEU 24 51.413 52.557 69.353 174 2HD1 LEU 24 2HD1 LEU 24 50.082 51.514 69.829 175 3HD1 LEU 24 3HD1 LEU 24 49.693 53.010 68.890 176 1HD2 LEU 24 1HD2 LEU 24 49.388 51.658 65.858 177 2HD2 LEU 24 2HD2 LEU 24 50.887 52.619 65.775 178 3HD2 LEU 24 3HD2 LEU 24 49.499 53.159 66.842 179 H ASP 25 H ASP 25 52.296 49.155 70.570 180 HA ASP 25 HA ASP 25 51.807 46.467 69.602 181 1HB ASP 25 2HB ASP 25 52.469 47.340 71.965 182 2HB ASP 25 1HB ASP 25 50.655 47.657 72.226 183 H ILE 26 H ILE 26 50.529 46.957 67.892 184 HA ILE 26 HA ILE 26 47.730 47.782 68.470 185 HB ILE 26 HB ILE 26 48.739 49.008 66.712 186 1HG1 ILE 26 2HG1 ILE 26 46.985 46.987 65.214 187 2HG1 ILE 26 1HG1 ILE 26 46.386 48.167 66.502 188 1HG2 ILE 26 1HG2 ILE 26 50.535 47.271 65.904 189 2HG2 ILE 26 2HG2 ILE 26 49.550 47.948 64.559 190 3HG2 ILE 26 3HG2 ILE 26 49.078 46.342 65.221 191 1HD1 ILE 26 1HD1 ILE 26 48.130 49.325 64.317 192 2HD1 ILE 26 2HD1 ILE 26 46.688 50.084 65.141 193 3HD1 ILE 26 3HD1 ILE 26 46.451 48.886 63.868 194 H ASP 27 H ASP 27 49.573 45.319 66.809 195 HA ASP 27 HA ASP 27 48.482 43.013 67.737 196 1HB ASP 27 2HB ASP 27 46.264 43.308 67.203 197 2HB ASP 27 1HB ASP 27 46.717 44.365 65.695 198 H PHE 28 H PHE 28 49.543 41.255 66.690 199 HA PHE 28 HA PHE 28 51.644 41.935 64.878 200 1HB PHE 28 2HB PHE 28 52.222 39.669 65.190 201 2HB PHE 28 1HB PHE 28 51.093 39.963 66.628 202 HD1 PHE 28 HD1 PHE 28 48.622 39.109 66.293 203 HD2 PHE 28 HD2 PHE 28 51.834 38.271 63.520 204 HE1 PHE 28 HE1 PHE 28 47.264 37.257 65.220 205 HE2 PHE 28 HE2 PHE 28 50.500 36.476 62.497 206 HZ PHE 28 HZ PHE 28 48.208 35.965 63.360 207 H ALA 29 H ALA 29 48.362 41.070 64.155 208 HA ALA 29 HA ALA 29 48.904 40.029 61.416 209 1HB ALA 29 1HB ALA 29 46.182 41.090 62.427 210 2HB ALA 29 2HB ALA 29 46.846 39.547 63.095 211 3HB ALA 29 3HB ALA 29 46.553 39.689 61.306 212 H THR 30 H THR 30 48.467 43.031 63.040 213 HA THR 30 HA THR 30 47.472 44.611 60.920 214 HB THR 30 HB THR 30 49.311 45.476 63.237 215 HG1 THR 30 1HG THR 30 46.531 45.748 63.220 216 1HG2 THR 30 1HG2 THR 30 47.512 46.807 61.093 217 2HG2 THR 30 2HG2 THR 30 49.046 47.408 61.879 218 3HG2 THR 30 3HG2 THR 30 47.425 47.459 62.773 219 H ARG 31 H ARG 31 50.822 44.061 61.925 220 HA ARG 31 HA ARG 31 51.946 45.737 59.727 221 1HB ARG 31 2HB ARG 31 54.161 44.805 60.360 222 2HB ARG 31 1HB ARG 31 53.259 45.769 61.567 223 1HG ARG 31 2HG ARG 31 54.433 43.714 62.608 224 2HG ARG 31 1HG ARG 31 52.594 43.551 62.702 225 1HD ARG 31 2HD ARG 31 52.893 41.549 61.564 226 2HD ARG 31 1HD ARG 31 53.612 42.392 60.160 227 HE ARG 31 HE ARG 31 55.690 42.287 61.909 228 1HH1 ARG 31 1HH2 ARG 31 53.228 39.889 60.728 229 2HH1 ARG 31 2HH2 ARG 31 54.317 38.524 60.873 230 1HH2 ARG 31 2HH1 ARG 31 57.043 40.361 62.052 231 2HH2 ARG 31 1HH1 ARG 31 56.477 38.757 61.585 232 H LYS 32 H LYS 32 50.958 42.336 59.997 233 HA LYS 32 HA LYS 32 52.625 41.477 57.833 234 1HB LYS 32 2HB LYS 32 51.763 39.670 58.997 235 2HB LYS 32 1HB LYS 32 50.179 40.487 59.285 236 1HG LYS 32 2HG LYS 32 49.462 40.098 56.902 237 2HG LYS 32 1HG LYS 32 51.017 39.342 56.507 238 1HD LYS 32 2HD LYS 32 50.607 37.465 58.150 239 2HD LYS 32 1HD LYS 32 49.096 38.252 58.668 240 1HE LYS 32 2HE LYS 32 48.599 38.327 55.941 241 2HE LYS 32 1HE LYS 32 49.565 36.821 56.054 242 1HZ LYS 32 1HZ LYS 32 47.086 37.334 57.573 243 2HZ LYS 32 2HZ LYS 32 48.181 36.106 57.932 244 3HZ LYS 32 3HZ LYS 32 47.488 36.197 56.440 245 H ILE 33 H ILE 33 49.561 43.141 58.078 246 HA ILE 33 HA ILE 33 48.917 42.711 55.243 247 HB ILE 33 HB ILE 33 47.748 45.091 56.741 248 1HG1 ILE 33 2HG1 ILE 33 47.346 43.519 58.536 249 2HG1 ILE 33 1HG1 ILE 33 45.873 43.519 57.478 250 1HG2 ILE 33 1HG2 ILE 33 47.066 44.540 54.365 251 2HG2 ILE 33 2HG2 ILE 33 45.729 44.356 55.550 252 3HG2 ILE 33 3HG2 ILE 33 46.595 42.888 54.880 253 1HD1 ILE 33 1HD1 ILE 33 46.852 41.450 56.223 254 2HD1 ILE 33 2HD1 ILE 33 46.405 41.212 57.964 255 3HD1 ILE 33 3HD1 ILE 33 48.140 41.401 57.506 256 H ALA 34 H ALA 34 49.984 45.330 57.355 257 HA ALA 34 HA ALA 34 50.519 47.442 55.459 258 1HB ALA 34 1HB ALA 34 50.986 48.472 57.428 259 2HB ALA 34 2HB ALA 34 52.445 47.429 57.593 260 3HB ALA 34 3HB ALA 34 50.884 46.853 58.280 261 H VAL 35 H VAL 35 52.184 44.474 56.229 262 HA VAL 35 HA VAL 35 54.840 45.296 55.617 263 HB VAL 35 HB VAL 35 53.382 42.641 55.434 264 1HG1 VAL 35 1HG1 VAL 35 56.178 43.389 54.224 265 2HG1 VAL 35 2HG1 VAL 35 54.859 42.361 53.495 266 3HG1 VAL 35 3HG1 VAL 35 55.818 41.729 54.852 267 1HG2 VAL 35 1HG2 VAL 35 56.022 42.642 56.790 268 2HG2 VAL 35 2HG2 VAL 35 54.373 42.392 57.493 269 3HG2 VAL 35 3HG2 VAL 35 54.967 44.083 57.297 270 H ARG 36 H ARG 36 52.274 43.956 53.758 271 HA ARG 36 HA ARG 36 53.724 44.395 51.113 272 1HB ARG 36 2HB ARG 36 52.171 42.936 50.079 273 2HB ARG 36 1HB ARG 36 52.716 42.117 51.615 274 1HG ARG 36 2HG ARG 36 50.271 43.672 52.182 275 2HG ARG 36 1HG ARG 36 49.974 42.459 50.836 276 1HD ARG 36 2HD ARG 36 51.619 41.774 53.274 277 2HD ARG 36 1HD ARG 36 49.811 41.684 53.340 278 HE ARG 36 HE ARG 36 50.378 40.352 50.945 279 1HH1 ARG 36 1HH1 ARG 36 51.614 39.978 54.235 280 2HH1 ARG 36 2HH1 ARG 36 51.990 38.268 54.041 281 1HH2 ARG 36 1HH2 ARG 36 50.853 38.053 50.715 282 2HH2 ARG 36 2HH2 ARG 36 51.533 37.201 52.073 283 H LEU 37 H LEU 37 51.106 45.545 53.020 284 HA LEU 37 HA LEU 37 49.609 46.634 50.744 285 1HB LEU 37 2HB LEU 37 49.542 46.930 53.833 286 2HB LEU 37 1HB LEU 37 49.117 48.402 52.886 287 HG LEU 37 HG LEU 37 47.242 46.664 53.515 288 1HD1 LEU 37 1HD1 LEU 37 47.799 48.219 50.945 289 2HD1 LEU 37 2HD1 LEU 37 46.728 48.596 52.334 290 3HD1 LEU 37 3HD1 LEU 37 46.219 47.286 51.156 291 1HD2 LEU 37 1HD2 LEU 37 46.978 44.768 52.048 292 2HD2 LEU 37 2HD2 LEU 37 48.808 44.917 52.021 293 3HD2 LEU 37 3HD2 LEU 37 47.844 45.680 50.703 294 H THR 38 H THR 38 50.203 48.023 49.427 295 HA THR 38 HA THR 38 52.538 49.668 50.008 296 HB THR 38 HB THR 38 51.837 50.626 47.627 297 HG1 THR 38 1HG THR 38 50.277 48.458 47.247 298 1HG2 THR 38 1HG2 THR 38 53.388 48.438 48.279 299 2HG2 THR 38 2HG2 THR 38 52.915 48.677 46.541 300 3HG2 THR 38 3HG2 THR 38 51.942 47.601 47.637 301 H GLN 39 H GLN 39 49.232 50.752 48.949 302 HA GLN 39 HA GLN 39 47.837 52.235 49.851 303 1HB GLN 39 2HB GLN 39 49.916 52.947 52.016 304 2HB GLN 39 1HB GLN 39 48.125 53.243 51.917 305 1HG GLN 39 2HG GLN 39 47.504 51.064 52.233 306 2HG GLN 39 1HG GLN 39 49.063 50.351 51.604 307 1HE2 GLN 39 1HE2 GLN 39 50.974 51.607 52.827 308 2HE2 GLN 39 2HE2 GLN 39 50.984 51.254 54.533 309 H THR 40 H THR 40 47.375 54.227 50.008 310 HA THR 40 HA THR 40 49.022 56.209 48.480 311 HB THR 40 HB THR 40 45.974 56.229 48.665 312 HG1 THR 40 1HG THR 40 46.336 55.212 46.443 313 1HG2 THR 40 1HG2 THR 40 48.213 57.696 47.320 314 2HG2 THR 40 2HG2 THR 40 46.428 58.038 47.077 315 3HG2 THR 40 3HG2 THR 40 47.282 56.828 46.061 316 H LYS 41 H LYS 41 49.036 58.243 49.048 317 HA LYS 41 HA LYS 41 47.204 59.212 51.198 318 1HB LYS 41 2HB LYS 41 48.874 59.335 53.072 319 2HB LYS 41 1HB LYS 41 49.104 57.735 52.276 320 1HG LYS 41 2HG LYS 41 51.190 58.199 51.575 321 2HG LYS 41 1HG LYS 41 50.819 59.947 51.146 322 1HD LYS 41 2HD LYS 41 51.237 58.798 53.991 323 2HD LYS 41 1HD LYS 41 52.361 59.900 53.095 324 1HE LYS 41 2HE LYS 41 51.448 61.612 53.984 325 2HE LYS 41 1HE LYS 41 49.962 61.304 52.994 326 1HZ LYS 41 1HZ LYS 41 49.994 61.289 55.759 327 2HZ LYS 41 2HZ LYS 41 50.333 59.681 55.424 328 3HZ LYS 41 3HZ LYS 41 48.950 60.372 54.831 329 H ILE 42 H ILE 42 47.894 61.566 51.818 330 HA ILE 42 HA ILE 42 49.848 62.830 49.955 331 HB ILE 42 HB ILE 42 48.524 62.903 48.096 332 1HG1 ILE 42 2HG1 ILE 42 46.628 64.780 49.499 333 2HG1 ILE 42 1HG1 ILE 42 48.330 65.281 49.250 334 1HG2 ILE 42 1HG2 ILE 42 46.093 62.441 49.909 335 2HG2 ILE 42 2HG2 ILE 42 46.912 61.230 48.888 336 3HG2 ILE 42 3HG2 ILE 42 46.033 62.611 48.125 337 1HD1 ILE 42 1HD1 ILE 42 47.108 63.884 46.867 338 2HD1 ILE 42 2HD1 ILE 42 48.069 65.374 46.859 339 3HD1 ILE 42 3HD1 ILE 42 46.283 65.433 47.204 340 H ILE 43 H ILE 43 50.559 64.587 50.688 341 HA ILE 43 HA ILE 43 49.256 65.903 53.021 342 HB ILE 43 HB ILE 43 51.848 66.137 51.442 343 1HG1 ILE 43 2HG1 ILE 43 51.786 64.839 54.183 344 2HG1 ILE 43 1HG1 ILE 43 51.187 63.809 52.776 345 1HG2 ILE 43 1HG2 ILE 43 51.904 68.062 52.846 346 2HG2 ILE 43 2HG2 ILE 43 52.680 66.828 53.949 347 3HG2 ILE 43 3HG2 ILE 43 50.950 67.217 54.187 348 1HD1 ILE 43 1HD1 ILE 43 53.828 64.103 53.604 349 2HD1 ILE 43 2HD1 ILE 43 53.716 65.383 52.279 350 3HD1 ILE 43 3HD1 ILE 43 53.402 63.684 51.911 351 H VAL 44 H VAL 44 49.641 68.380 53.026 352 HA VAL 44 HA VAL 44 49.870 69.541 50.308 353 HB VAL 44 HB VAL 44 47.635 68.477 50.349 354 1HG1 VAL 44 1HG1 VAL 44 47.347 69.568 52.942 355 2HG1 VAL 44 2HG1 VAL 44 46.046 68.766 51.881 356 3HG1 VAL 44 3HG1 VAL 44 46.233 70.533 51.901 357 1HG2 VAL 44 1HG2 VAL 44 46.970 71.486 50.213 358 2HG2 VAL 44 2HG2 VAL 44 46.714 70.190 49.028 359 3HG2 VAL 44 3HG2 VAL 44 48.363 70.920 49.181 360 H GLN 45 H GLN 45 51.298 70.126 52.524 361 HA GLN 45 HA GLN 45 50.227 72.181 54.213 362 1HB GLN 45 2HB GLN 45 52.626 72.441 54.823 363 2HB GLN 45 1HB GLN 45 52.223 70.672 54.702 364 1HG GLN 45 2HG GLN 45 53.470 70.449 52.681 365 2HG GLN 45 1HG GLN 45 53.226 72.260 52.278 366 1HE2 GLN 45 1HE2 GLN 45 54.835 73.347 52.457 367 2HE2 GLN 45 2HE2 GLN 45 56.247 73.073 53.645 368 H ASP 46 H ASP 46 51.494 74.017 54.644 369 HA ASP 46 HA ASP 46 51.916 75.583 52.126 370 1HB ASP 46 2HB ASP 46 49.487 75.688 53.613 371 2HB ASP 46 1HB ASP 46 50.305 77.272 54.021 372 H GLY 47 H GLY 47 52.287 75.453 55.722 373 1HA GLY 47 1HA GLY 47 54.921 76.495 55.610 374 2HA GLY 47 2HA GLY 47 53.804 77.932 55.864 375 H ASP 48 H ASP 48 51.977 76.743 57.468 376 HA ASP 48 HA ASP 48 53.423 75.623 59.794 377 1HB ASP 48 2HB ASP 48 53.532 78.308 59.780 378 2HB ASP 48 1HB ASP 48 51.741 78.167 60.252 379 H ASN 49 H ASN 49 51.440 74.845 58.091 380 HA ASN 49 HA ASN 49 49.418 73.595 59.815 381 1HB ASN 49 2HB ASN 49 48.104 75.579 59.835 382 2HB ASN 49 1HB ASN 49 48.788 76.088 58.206 383 1HD2 ASN 49 1HD2 ASN 49 47.759 75.532 56.490 384 2HD2 ASN 49 2HD2 ASN 49 46.175 74.481 56.525 385 H PHE 50 H PHE 50 49.270 71.629 58.847 386 HA PHE 50 HA PHE 50 48.657 71.549 55.955 387 1HB PHE 50 2HB PHE 50 50.327 69.832 55.465 388 2HB PHE 50 1HB PHE 50 51.130 71.305 56.210 389 HD1 PHE 50 HD1 PHE 50 49.664 68.006 57.230 390 HD2 PHE 50 HD2 PHE 50 52.465 71.192 57.917 391 HE1 PHE 50 HE1 PHE 50 50.703 66.731 59.132 392 HE2 PHE 50 HE2 PHE 50 53.541 69.925 59.867 393 HZ PHE 50 HZ PHE 50 52.561 67.698 60.372 394 H LYS 51 H LYS 51 48.066 69.337 55.103 395 HA LYS 51 HA LYS 51 46.933 67.715 57.292 396 1HB LYS 51 2HB LYS 51 45.109 69.335 56.756 397 2HB LYS 51 1HB LYS 51 45.307 69.058 54.978 398 1HG LYS 51 2HG LYS 51 44.766 66.581 56.587 399 2HG LYS 51 1HG LYS 51 43.413 67.805 56.512 400 1HD LYS 51 2HD LYS 51 43.753 67.870 54.016 401 2HD LYS 51 1HD LYS 51 44.931 66.490 54.193 402 1HE LYS 51 2HE LYS 51 43.335 64.964 54.880 403 2HE LYS 51 1HE LYS 51 42.093 66.283 55.225 404 1HZ LYS 51 1HZ LYS 51 41.846 66.522 52.850 405 2HZ LYS 51 2HZ LYS 51 41.775 64.878 53.095 406 3HZ LYS 51 3HZ LYS 51 43.183 65.558 52.535 407 H THR 52 H THR 52 47.209 65.728 57.028 408 HA THR 52 HA THR 52 47.425 64.766 54.160 409 HB THR 52 HB THR 52 49.677 64.988 54.912 410 HG1 THR 52 1HG THR 52 49.763 63.129 54.218 411 1HG2 THR 52 1HG2 THR 52 49.720 65.383 57.281 412 2HG2 THR 52 2HG2 THR 52 50.082 63.622 57.358 413 3HG2 THR 52 3HG2 THR 52 48.398 64.235 57.607 414 H LYS 53 H LYS 53 47.008 62.560 53.899 415 HA LYS 53 HA LYS 53 46.124 60.912 56.206 416 1HB LYS 53 2HB LYS 53 43.758 60.811 55.719 417 2HB LYS 53 1HB LYS 53 44.068 62.504 55.233 418 1HG LYS 53 2HG LYS 53 44.109 60.119 53.294 419 2HG LYS 53 1HG LYS 53 42.706 61.257 53.589 420 1HD LYS 53 2HD LYS 53 44.518 63.144 53.118 421 2HD LYS 53 1HD LYS 53 45.188 61.824 52.049 422 1HE LYS 53 2HE LYS 53 42.203 62.339 52.048 423 2HE LYS 53 1HE LYS 53 43.309 63.549 51.163 424 1HZ LYS 53 1HZ LYS 53 42.963 61.969 49.577 425 2HZ LYS 53 2HZ LYS 53 42.734 60.694 50.598 426 3HZ LYS 53 3HZ LYS 53 44.272 61.228 50.325 427 H THR 54 H THR 54 45.612 58.890 55.617 428 HA THR 54 HA THR 54 46.925 57.993 53.051 429 HB THR 54 HB THR 54 48.358 57.440 54.924 430 HG1 THR 54 1HG THR 54 48.736 56.031 53.535 431 1HG2 THR 54 1HG2 THR 54 47.815 55.774 56.602 432 2HG2 THR 54 2HG2 THR 54 46.270 55.323 55.711 433 3HG2 THR 54 3HG2 THR 54 46.386 56.848 56.669 434 H ASN 55 H ASN 55 46.386 55.851 52.395 435 HA ASN 55 HA ASN 55 43.522 55.164 52.825 436 1HB ASN 55 2HB ASN 55 44.161 56.593 50.690 437 2HB ASN 55 1HB ASN 55 44.510 54.852 50.066 438 1HD2 ASN 55 1HD2 ASN 55 42.723 53.309 51.052 439 2HD2 ASN 55 2HD2 ASN 55 40.987 53.999 50.858 440 H SER 56 H SER 56 44.241 53.798 54.184 441 HA SER 56 HA SER 56 45.304 51.146 53.169 442 1HB SER 56 2HB SER 56 45.302 52.286 56.068 443 2HB SER 56 1HB SER 56 46.316 50.882 55.328 444 HG SER 56 HG SER 56 47.235 52.448 54.017 445 H THR 57 H THR 57 44.174 49.354 53.780 446 HA THR 57 HA THR 57 41.289 49.976 54.303 447 HB THR 57 HB THR 57 41.138 47.425 53.803 448 HG1 THR 57 1HG THR 57 42.897 46.512 52.852 449 1HG2 THR 57 1HG2 THR 57 40.387 48.691 51.948 450 2HG2 THR 57 2HG2 THR 57 41.873 47.992 51.203 451 3HG2 THR 57 3HG2 THR 57 41.961 49.646 51.779 452 H PHE 58 H PHE 58 44.028 48.337 55.600 453 HA PHE 58 HA PHE 58 42.662 47.137 57.843 454 1HB PHE 58 2HB PHE 58 45.353 47.026 56.932 455 2HB PHE 58 1HB PHE 58 45.464 47.725 58.571 456 HD1 PHE 58 HD1 PHE 58 43.399 45.097 56.823 457 HD2 PHE 58 HD2 PHE 58 45.734 46.137 60.254 458 HE1 PHE 58 HE1 PHE 58 43.025 42.779 57.754 459 HE2 PHE 58 HE2 PHE 58 45.351 43.841 61.179 460 HZ PHE 58 HZ PHE 58 44.018 42.199 59.956 461 H ARG 59 H ARG 59 44.105 50.347 57.476 462 HA ARG 59 HA ARG 59 42.492 51.273 59.749 463 1HB ARG 59 2HB ARG 59 44.816 49.890 60.543 464 2HB ARG 59 1HB ARG 59 45.242 51.642 60.766 465 1HG ARG 59 2HG ARG 59 44.102 51.522 62.713 466 2HG ARG 59 1HG ARG 59 42.560 51.453 61.692 467 1HD ARG 59 2HD ARG 59 42.393 49.062 62.020 468 2HD ARG 59 1HD ARG 59 44.122 48.923 62.355 469 HE ARG 59 HE ARG 59 43.667 49.386 64.600 470 1HH1 ARG 59 2HH2 ARG 59 40.969 50.412 62.361 471 2HH1 ARG 59 1HH2 ARG 59 39.916 50.794 63.666 472 1HH2 ARG 59 1HH1 ARG 59 41.990 50.001 66.314 473 2HH2 ARG 59 2HH1 ARG 59 40.440 50.564 65.807 474 H ASN 60 H ASN 60 41.903 52.685 58.532 475 HA ASN 60 HA ASN 60 43.441 54.565 57.047 476 1HB ASN 60 2HB ASN 60 40.935 54.440 56.988 477 2HB ASN 60 1HB ASN 60 40.827 55.104 58.736 478 1HD2 ASN 60 2HD2 ASN 60 41.645 55.719 55.304 479 2HD2 ASN 60 1HD2 ASN 60 41.607 57.458 55.459 480 H TYR 61 H TYR 61 44.249 56.511 57.466 481 HA TYR 61 HA TYR 61 44.285 57.364 60.290 482 1HB TYR 61 2HB TYR 61 46.119 55.533 59.753 483 2HB TYR 61 1HB TYR 61 46.989 56.819 58.837 484 HD1 TYR 61 HD1 TYR 61 45.055 57.252 62.057 485 HD2 TYR 61 HD2 TYR 61 48.929 57.133 60.079 486 HE1 TYR 61 HE1 TYR 61 46.141 58.068 64.110 487 HE2 TYR 61 HE2 TYR 61 49.978 57.949 62.143 488 HH TYR 61 HH TYR 61 47.953 58.865 64.919 489 H ASP 62 H ASP 62 45.181 59.486 60.588 490 HA ASP 62 HA ASP 62 45.853 61.074 58.187 491 1HB ASP 62 2HB ASP 62 44.141 62.764 58.599 492 2HB ASP 62 1HB ASP 62 43.273 61.102 58.681 493 H LEU 63 H LEU 63 46.957 62.962 58.559 494 HA LEU 63 HA LEU 63 47.990 63.113 61.389 495 1HB LEU 63 2HB LEU 63 49.330 62.245 59.073 496 2HB LEU 63 1HB LEU 63 49.981 63.930 59.324 497 HG LEU 63 HG LEU 63 51.335 62.259 60.543 498 1HD1 LEU 63 1HD1 LEU 63 49.548 63.574 62.720 499 2HD1 LEU 63 2HD1 LEU 63 50.492 64.558 61.519 500 3HD1 LEU 63 3HD1 LEU 63 51.330 63.406 62.635 501 1HD2 LEU 63 1HD2 LEU 63 48.991 60.815 60.558 502 2HD2 LEU 63 2HD2 LEU 63 48.864 61.512 62.211 503 3HD2 LEU 63 3HD2 LEU 63 50.341 60.498 61.771 504 H ASP 64 H ASP 64 45.870 64.778 60.722 505 HA ASP 64 HA ASP 64 46.713 67.314 59.559 506 1HB ASP 64 2HB ASP 64 44.390 66.862 59.692 507 2HB ASP 64 1HB ASP 64 44.497 66.295 61.468 508 H PHE 65 H PHE 65 48.669 68.168 60.325 509 HA PHE 65 HA PHE 65 48.612 68.992 63.174 510 1HB PHE 65 2HB PHE 65 49.781 66.818 63.147 511 2HB PHE 65 1HB PHE 65 50.669 67.323 61.676 512 HD1 PHE 65 HD1 PHE 65 52.988 67.429 62.432 513 HD2 PHE 65 HD2 PHE 65 49.840 69.246 64.740 514 HE1 PHE 65 HE1 PHE 65 54.627 68.406 63.827 515 HE2 PHE 65 HE2 PHE 65 51.528 70.284 66.203 516 HZ PHE 65 HZ PHE 65 53.923 69.920 65.823 517 H THR 66 H THR 66 49.733 70.859 63.491 518 HA THR 66 HA THR 66 50.412 72.615 61.184 519 HB THR 66 HB THR 66 51.269 73.831 63.466 520 HG1 THR 66 1HG THR 66 49.303 72.896 64.887 521 1HG2 THR 66 1HG2 THR 66 49.242 74.643 62.007 522 2HG2 THR 66 2HG2 THR 66 48.987 74.802 63.824 523 3HG2 THR 66 3HG2 THR 66 48.216 73.471 62.890 524 H VAL 67 H VAL 67 52.476 73.940 61.503 525 HA VAL 67 HA VAL 67 54.579 71.782 61.692 526 HB VAL 67 HB VAL 67 54.840 74.716 60.930 527 1HG1 VAL 67 1HG1 VAL 67 57.051 73.869 59.848 528 2HG1 VAL 67 2HG1 VAL 67 56.758 72.358 60.787 529 3HG1 VAL 67 3HG1 VAL 67 57.002 73.947 61.674 530 1HG2 VAL 67 1HG2 VAL 67 54.949 73.886 58.548 531 2HG2 VAL 67 2HG2 VAL 67 53.444 73.139 59.302 532 3HG2 VAL 67 3HG2 VAL 67 55.022 72.225 59.170 533 H GLY 68 H GLY 68 55.241 71.255 63.567 534 1HA GLY 68 1HA GLY 68 56.205 71.456 65.636 535 2HA GLY 68 2HA GLY 68 56.991 73.031 64.965 536 H VAL 69 H VAL 69 53.541 72.791 65.298 537 HA VAL 69 HA VAL 69 53.851 74.781 67.543 538 HB VAL 69 HB VAL 69 52.189 74.391 65.142 539 1HG1 VAL 69 1HG1 VAL 69 50.606 73.114 66.716 540 2HG1 VAL 69 2HG1 VAL 69 49.885 74.539 65.873 541 3HG1 VAL 69 3HG1 VAL 69 50.430 74.736 67.596 542 1HG2 VAL 69 1HG2 VAL 69 51.768 76.573 67.285 543 2HG2 VAL 69 2HG2 VAL 69 51.445 76.637 65.503 544 3HG2 VAL 69 3HG2 VAL 69 53.162 76.561 66.174 545 H GLU 70 H GLU 70 53.637 71.743 66.958 546 HA GLU 70 HA GLU 70 53.168 69.920 68.169 547 1HB GLU 70 2HB GLU 70 52.219 71.006 70.706 548 2HB GLU 70 1HB GLU 70 53.755 70.016 70.314 549 1HG GLU 70 2HG GLU 70 54.730 72.218 69.426 550 2HG GLU 70 1HG GLU 70 53.465 72.936 70.635 551 H PHE 71 H PHE 71 51.731 68.546 68.550 552 HA PHE 71 HA PHE 71 48.943 69.511 68.991 553 1HB PHE 71 2HB PHE 71 49.536 69.769 66.552 554 2HB PHE 71 1HB PHE 71 49.266 67.967 66.367 555 HD1 PHE 71 HD1 PHE 71 46.965 67.316 67.894 556 HD2 PHE 71 HD2 PHE 71 47.816 70.973 65.912 557 HE1 PHE 71 HE1 PHE 71 44.608 67.755 67.793 558 HE2 PHE 71 HE2 PHE 71 45.426 71.514 65.742 559 HZ PHE 71 HZ PHE 71 43.760 69.897 66.691 560 H ASP 72 H ASP 72 48.456 68.157 70.634 561 HA ASP 72 HA ASP 72 49.170 65.357 70.709 562 1HB ASP 72 2HB ASP 72 46.733 66.782 71.969 563 2HB ASP 72 1HB ASP 72 47.543 65.213 72.625 564 H GLU 73 H GLU 73 48.345 63.793 69.432 565 HA GLU 73 HA GLU 73 45.559 64.082 68.277 566 1HB GLU 73 2HB GLU 73 48.222 63.209 67.359 567 2HB GLU 73 1HB GLU 73 47.066 61.844 67.181 568 1HG GLU 73 2HG GLU 73 46.229 62.780 65.354 569 2HG GLU 73 1HG GLU 73 45.699 64.311 66.342 570 H HIS 74 H HIS 74 45.069 61.609 67.611 571 HA HIS 74 HA HIS 74 45.156 60.043 70.148 572 1HB HIS 74 2HB HIS 74 42.910 61.543 69.383 573 2HB HIS 74 1HB HIS 74 42.565 59.903 68.685 574 HD1 HIS 74 HD1 HIS 74 41.059 61.013 71.388 575 HD2 HIS 74 HD2 HIS 74 44.384 58.454 71.129 576 HE1 HIS 74 HE1 HIS 74 41.145 59.651 73.574 577 HE2 HIS 74 HE2 HIS 74 43.134 58.096 73.460 578 H THR 75 H THR 75 46.132 58.346 69.658 579 HA THR 75 HA THR 75 45.965 57.135 66.991 580 HB THR 75 HB THR 75 47.513 55.479 68.538 581 HG1 THR 75 1HG THR 75 48.304 56.495 70.147 582 1HG2 THR 75 1HG2 THR 75 49.090 56.458 67.016 583 2HG2 THR 75 2HG2 THR 75 48.975 57.999 67.909 584 3HG2 THR 75 3HG2 THR 75 47.799 57.696 66.565 585 H LYS 76 H LYS 76 43.828 57.085 69.189 586 HA LYS 76 HA LYS 76 43.535 54.342 70.069 587 1HB LYS 76 2HB LYS 76 41.184 55.084 70.679 588 2HB LYS 76 1HB LYS 76 42.475 56.318 71.100 589 1HG LYS 76 2HG LYS 76 41.722 57.875 69.726 590 2HG LYS 76 1HG LYS 76 41.605 56.678 68.342 591 1HD LYS 76 2HD LYS 76 39.423 57.374 68.525 592 2HD LYS 76 1HD LYS 76 39.454 55.891 69.655 593 1HE LYS 76 2HE LYS 76 38.768 57.324 71.375 594 2HE LYS 76 1HE LYS 76 40.330 58.217 71.151 595 1HZ LYS 76 1HZ LYS 76 37.707 58.997 70.266 596 2HZ LYS 76 2HZ LYS 76 38.965 59.301 69.187 597 3HZ LYS 76 3HZ LYS 76 38.982 59.869 70.777 598 H GLY 77 H GLY 77 43.385 55.598 67.102 599 1HA GLY 77 1HA GLY 77 41.239 53.926 66.002 600 2HA GLY 77 2HA GLY 77 42.125 55.256 65.135 601 H LEU 78 H LEU 78 44.504 54.033 66.703 602 HA LEU 78 HA LEU 78 45.177 51.745 64.858 603 1HB LEU 78 2HB LEU 78 46.202 54.420 64.765 604 2HB LEU 78 1HB LEU 78 47.535 53.314 65.442 605 HG LEU 78 HG LEU 78 45.955 52.321 63.045 606 1HD1 LEU 78 1HD1 LEU 78 47.778 53.909 61.728 607 2HD1 LEU 78 2HD1 LEU 78 47.100 55.064 62.984 608 3HD1 LEU 78 3HD1 LEU 78 45.987 54.239 61.864 609 1HD2 LEU 78 1HD2 LEU 78 48.174 51.486 64.259 610 2HD2 LEU 78 2HD2 LEU 78 49.023 52.708 63.236 611 3HD2 LEU 78 3HD2 LEU 78 48.071 51.401 62.442 612 H ASP 79 H ASP 79 44.213 52.136 67.623 613 HA ASP 79 HA ASP 79 44.593 51.342 69.655 614 1HB ASP 79 2HB ASP 79 46.275 49.591 67.849 615 2HB ASP 79 1HB ASP 79 46.365 49.300 69.735 616 H GLY 80 H GLY 80 45.614 53.534 69.771 617 1HA GLY 80 1HA GLY 80 48.196 53.094 71.137 618 2HA GLY 80 2HA GLY 80 48.169 54.462 69.936 619 H ARG 81 H ARG 81 45.651 55.268 70.672 620 HA ARG 81 HA ARG 81 44.332 56.571 72.089 621 1HB ARG 81 2HB ARG 81 45.995 55.178 74.286 622 2HB ARG 81 1HB ARG 81 44.463 56.201 74.492 623 1HG ARG 81 2HG ARG 81 43.083 54.555 73.630 624 2HG ARG 81 1HG ARG 81 44.181 54.237 72.283 625 1HD ARG 81 2HD ARG 81 45.598 53.128 74.387 626 2HD ARG 81 1HD ARG 81 43.893 52.776 74.934 627 HE ARG 81 HE ARG 81 44.250 52.175 72.145 628 1HH1 ARG 81 2HH1 ARG 81 44.717 51.093 75.536 629 2HH1 ARG 81 1HH1 ARG 81 44.616 49.354 75.203 630 1HH2 ARG 81 1HH2 ARG 81 44.129 49.962 71.652 631 2HH2 ARG 81 2HH2 ARG 81 44.286 48.682 72.824 632 H ASN 82 H ASN 82 47.801 57.219 71.845 633 HA ASN 82 HA ASN 82 47.176 59.931 72.258 634 1HB ASN 82 2HB ASN 82 46.952 59.947 74.535 635 2HB ASN 82 1HB ASN 82 47.886 58.336 74.754 636 1HD2 ASN 82 1HD2 ASN 82 49.906 58.334 75.267 637 2HD2 ASN 82 2HD2 ASN 82 50.857 59.760 75.476 638 H VAL 83 H VAL 83 48.578 61.213 71.745 639 HA VAL 83 HA VAL 83 51.518 60.824 71.883 640 HB VAL 83 HB VAL 83 52.018 60.451 69.689 641 1HG1 VAL 83 1HG1 VAL 83 50.212 59.454 68.230 642 2HG1 VAL 83 2HG1 VAL 83 49.021 59.660 69.528 643 3HG1 VAL 83 3HG1 VAL 83 50.457 58.569 69.799 644 1HG2 VAL 83 1HG2 VAL 83 51.309 62.656 68.878 645 2HG2 VAL 83 2HG2 VAL 83 49.561 62.196 68.986 646 3HG2 VAL 83 3HG2 VAL 83 50.663 61.391 67.753 647 H LYS 84 H LYS 84 52.643 62.445 70.865 648 HA LYS 84 HA LYS 84 51.287 65.149 70.969 649 1HB LYS 84 2HB LYS 84 53.940 64.708 72.370 650 2HB LYS 84 1HB LYS 84 52.762 66.146 72.378 651 1HG LYS 84 2HG LYS 84 52.111 65.176 74.360 652 2HG LYS 84 1HG LYS 84 51.099 64.121 73.224 653 1HD LYS 84 2HD LYS 84 53.454 62.805 73.040 654 2HD LYS 84 1HD LYS 84 53.694 63.510 74.702 655 1HE LYS 84 2HE LYS 84 51.197 61.909 73.680 656 2HE LYS 84 1HE LYS 84 52.510 61.268 74.803 657 1HZ LYS 84 1HZ LYS 84 51.401 63.774 75.777 658 2HZ LYS 84 2HZ LYS 84 51.544 62.290 76.498 659 3HZ LYS 84 3HZ LYS 84 50.224 62.647 75.507 660 H THR 85 H THR 85 51.426 64.629 68.766 661 HA THR 85 HA THR 85 53.635 64.317 67.045 662 HB THR 85 HB THR 85 51.408 66.213 66.439 663 HG1 THR 85 1HG THR 85 50.449 63.862 66.386 664 1HG2 THR 85 1HG2 THR 85 53.009 65.091 64.659 665 2HG2 THR 85 2HG2 THR 85 51.289 64.590 64.476 666 3HG2 THR 85 3HG2 THR 85 52.507 63.456 65.239 667 H LEU 86 H LEU 86 55.047 65.468 66.171 668 HA LEU 86 HA LEU 86 55.136 68.378 66.509 669 1HB LEU 86 2HB LEU 86 56.388 67.209 68.597 670 2HB LEU 86 1HB LEU 86 57.702 66.941 67.296 671 HG LEU 86 HG LEU 86 56.705 69.722 67.275 672 1HD1 LEU 86 1HD1 LEU 86 56.565 68.962 69.789 673 2HD1 LEU 86 2HD1 LEU 86 57.682 70.356 69.399 674 3HD1 LEU 86 3HD1 LEU 86 58.365 68.736 69.684 675 1HD2 LEU 86 1HD2 LEU 86 59.509 69.106 68.026 676 2HD2 LEU 86 2HD2 LEU 86 58.925 69.945 66.523 677 3HD2 LEU 86 3HD2 LEU 86 59.031 68.163 66.547 678 H VAL 87 H VAL 87 56.691 69.414 65.161 679 HA VAL 87 HA VAL 87 58.032 67.687 63.187 680 HB VAL 87 HB VAL 87 55.667 69.579 62.639 681 1HG1 VAL 87 1HG1 VAL 87 56.374 69.842 60.253 682 2HG1 VAL 87 2HG1 VAL 87 57.914 69.046 60.661 683 3HG1 VAL 87 3HG1 VAL 87 57.504 70.676 61.405 684 1HG2 VAL 87 1HG2 VAL 87 55.578 67.763 60.603 685 2HG2 VAL 87 2HG2 VAL 87 55.064 67.265 62.251 686 3HG2 VAL 87 3HG2 VAL 87 56.696 66.822 61.639 687 H THR 88 H THR 88 59.806 68.591 62.374 688 HA THR 88 HA THR 88 60.399 71.428 62.937 689 HB THR 88 HB THR 88 62.612 70.712 63.878 690 HG1 THR 88 1HG THR 88 63.208 68.748 63.808 691 1HG2 THR 88 1HG2 THR 88 60.243 69.229 65.169 692 2HG2 THR 88 2HG2 THR 88 60.418 70.980 65.337 693 3HG2 THR 88 3HG2 THR 88 61.698 69.914 66.083 694 H TRP 89 H TRP 89 60.697 72.068 60.978 695 HA TRP 89 HA TRP 89 61.313 70.663 58.546 696 1HB TRP 89 2HB TRP 89 61.660 73.568 59.538 697 2HB TRP 89 1HB TRP 89 62.356 73.141 57.935 698 HD1 TRP 89 HD1 TRP 89 58.946 73.404 59.794 699 HE1 TRP 89 HE1 TRP 89 57.112 73.060 58.049 700 HE3 TRP 89 HE3 TRP 89 61.842 72.095 55.912 701 HZ2 TRP 89 HZ2 TRP 89 57.006 72.295 55.280 702 HZ3 TRP 89 HZ3 TRP 89 60.880 71.569 53.752 703 HH2 TRP 89 HH2 TRP 89 58.521 71.673 53.483 704 H GLU 90 H GLU 90 63.084 70.046 57.482 705 HA GLU 90 HA GLU 90 65.629 70.738 58.864 706 1HB GLU 90 2HB GLU 90 64.141 68.269 59.177 707 2HB GLU 90 1HB GLU 90 65.721 67.911 58.383 708 1HG GLU 90 2HG GLU 90 65.553 69.705 60.967 709 2HG GLU 90 1HG GLU 90 65.800 67.874 60.948 710 H GLY 91 H GLY 91 65.283 71.863 56.881 711 1HA GLY 91 1HA GLY 91 66.734 72.412 55.027 712 2HA GLY 91 2HA GLY 91 67.002 70.593 54.696 713 H ASN 92 H ASN 92 65.430 69.450 54.099 714 HA ASN 92 HA ASN 92 63.187 70.716 52.541 715 1HB ASN 92 2HB ASN 92 65.429 68.918 51.510 716 2HB ASN 92 1HB ASN 92 63.692 68.416 50.987 717 1HD2 ASN 92 1HD2 ASN 92 63.685 69.097 49.050 718 2HD2 ASN 92 2HD2 ASN 92 63.897 70.774 48.484 719 H THR 93 H THR 93 63.811 69.237 55.061 720 HA THR 93 HA THR 93 61.661 67.108 54.941 721 HB THR 93 HB THR 93 63.157 66.842 57.386 722 HG1 THR 93 1HG THR 93 65.143 66.686 56.736 723 1HG2 THR 93 1HG2 THR 93 62.700 65.226 54.789 724 2HG2 THR 93 2HG2 THR 93 62.591 64.717 56.553 725 3HG2 THR 93 3HG2 THR 93 64.184 64.786 55.725 726 H LEU 94 H LEU 94 60.863 66.689 57.114 727 HA LEU 94 HA LEU 94 60.288 68.926 58.918 728 1HB LEU 94 2HB LEU 94 57.739 68.503 58.715 729 2HB LEU 94 1HB LEU 94 58.529 69.416 57.372 730 HG LEU 94 HG LEU 94 58.866 66.820 56.601 731 1HD1 LEU 94 1HD1 LEU 94 55.821 67.124 56.834 732 2HD1 LEU 94 2HD1 LEU 94 56.679 66.699 58.357 733 3HD1 LEU 94 3HD1 LEU 94 56.808 65.553 56.957 734 1HD2 LEU 94 1HD2 LEU 94 57.158 67.372 54.819 735 2HD2 LEU 94 2HD2 LEU 94 58.515 68.542 55.037 736 3HD2 LEU 94 3HD2 LEU 94 56.865 68.930 55.718 737 H VAL 95 H VAL 95 61.773 66.956 59.444 738 HA VAL 95 HA VAL 95 61.246 64.490 60.217 739 HB VAL 95 HB VAL 95 62.383 66.825 61.921 740 1HG1 VAL 95 1HG1 VAL 95 61.863 64.514 63.214 741 2HG1 VAL 95 2HG1 VAL 95 63.494 65.264 63.416 742 3HG1 VAL 95 3HG1 VAL 95 63.216 63.948 62.206 743 1HG2 VAL 95 1HG2 VAL 95 64.457 65.100 61.056 744 2HG2 VAL 95 2HG2 VAL 95 64.061 66.715 60.348 745 3HG2 VAL 95 3HG2 VAL 95 63.375 65.216 59.569 746 H CYS 96 H CYS 96 59.183 64.012 60.700 747 HA CYS 96 HA CYS 96 57.745 65.372 62.833 748 1HB CYS 96 2HB CYS 96 56.940 63.627 60.716 749 2HB CYS 96 1HB CYS 96 56.769 62.610 62.158 750 HG CYS 96 HG CYS 96 55.266 64.040 63.551 751 H VAL 97 H VAL 97 56.918 64.040 64.701 752 HA VAL 97 HA VAL 97 58.374 61.751 65.659 753 HB VAL 97 HB VAL 97 59.226 63.435 67.625 754 1HG1 VAL 97 1HG1 VAL 97 60.390 61.757 65.480 755 2HG1 VAL 97 2HG1 VAL 97 61.073 62.123 67.115 756 3HG1 VAL 97 3HG1 VAL 97 61.443 63.226 65.760 757 1HG2 VAL 97 1HG2 VAL 97 60.052 64.778 65.035 758 2HG2 VAL 97 2HG2 VAL 97 60.259 65.374 66.716 759 3HG2 VAL 97 3HG2 VAL 97 58.566 65.326 65.942 760 H GLN 98 H GLN 98 57.342 60.786 67.075 761 HA GLN 98 HA GLN 98 55.289 62.221 68.818 762 1HB GLN 98 2HB GLN 98 55.394 59.464 67.533 763 2HB GLN 98 1HB GLN 98 54.359 59.727 69.018 764 1HG GLN 98 2HG GLN 98 53.102 61.520 67.704 765 2HG GLN 98 1HG GLN 98 54.132 61.127 66.250 766 1HE2 GLN 98 2HE2 GLN 98 52.243 60.605 65.198 767 2HE2 GLN 98 1HE2 GLN 98 51.370 59.063 65.523 768 H LYS 99 H LYS 99 55.074 61.976 70.805 769 HA LYS 99 HA LYS 99 57.182 60.214 72.063 770 1HB LYS 99 2HB LYS 99 56.384 63.032 72.588 771 2HB LYS 99 1HB LYS 99 56.891 62.057 74.039 772 1HG LYS 99 2HG LYS 99 58.740 63.309 73.047 773 2HG LYS 99 1HG LYS 99 59.097 61.522 72.951 774 1HD LYS 99 2HD LYS 99 58.893 61.666 70.542 775 2HD LYS 99 1HD LYS 99 57.676 63.047 70.691 776 1HE LYS 99 2HE LYS 99 60.097 63.603 69.818 777 2HE LYS 99 1HE LYS 99 59.394 64.620 71.125 778 1HZ LYS 99 1HZ LYS 99 60.870 63.716 72.632 779 2HZ LYS 99 2HZ LYS 99 61.801 63.368 71.277 780 3HZ LYS 99 3HZ LYS 99 60.814 62.190 71.920 781 H GLY 100 H GLY 100 54.524 59.635 71.367 782 1HA GLY 100 1HA GLY 100 52.991 59.524 73.986 783 2HA GLY 100 2HA GLY 100 52.318 59.106 72.356 784 H GLU 101 H GLU 101 55.136 58.311 74.232 785 HA GLU 101 HA GLU 101 55.987 56.460 75.229 786 1HB GLU 101 2HB GLU 101 53.607 54.737 74.085 787 2HB GLU 101 1HB GLU 101 54.652 54.384 75.486 788 1HG GLU 101 2HG GLU 101 53.041 57.012 75.608 789 2HG GLU 101 1HG GLU 101 52.165 55.419 75.783 790 H LYS 102 H LYS 102 55.685 57.399 72.413 791 HA LYS 102 HA LYS 102 56.538 55.100 70.737 792 1HB LYS 102 2HB LYS 102 55.984 58.101 70.367 793 2HB LYS 102 1HB LYS 102 57.042 57.221 69.196 794 1HG LYS 102 2HG LYS 102 54.754 57.122 68.334 795 2HG LYS 102 1HG LYS 102 55.236 55.478 68.920 796 1HD LYS 102 2HD LYS 102 54.122 55.783 71.063 797 2HD LYS 102 1HD LYS 102 53.707 57.515 70.635 798 1HE LYS 102 2HE LYS 102 51.902 56.898 69.332 799 2HE LYS 102 1HE LYS 102 52.793 55.468 68.653 800 1HZ LYS 102 1HZ LYS 102 50.801 54.926 70.075 801 2HZ LYS 102 2HZ LYS 102 51.495 55.672 71.347 802 3HZ LYS 102 3HZ LYS 102 52.204 54.309 70.736 803 H GLU 103 H GLU 103 57.583 58.256 71.716 804 HA GLU 103 HA GLU 103 59.597 59.366 71.607 805 1HB GLU 103 2HB GLU 103 60.344 56.783 73.139 806 2HB GLU 103 1HB GLU 103 61.279 58.335 73.184 807 1HG GLU 103 2HG GLU 103 59.409 59.528 74.167 808 2HG GLU 103 1HG GLU 103 58.292 58.094 73.786 809 H ASN 104 H ASN 104 59.802 59.329 69.589 810 HA ASN 104 HA ASN 104 61.510 59.766 68.143 811 1HB ASN 104 2HB ASN 104 63.106 58.426 69.536 812 2HB ASN 104 1HB ASN 104 62.627 56.866 68.662 813 1HD2 ASN 104 2HD2 ASN 104 64.565 56.568 67.859 814 2HD2 ASN 104 1HD2 ASN 104 65.243 57.604 66.437 815 H ARG 105 H ARG 105 58.985 59.296 67.472 816 HA ARG 105 HA ARG 105 59.191 57.207 65.351 817 1HB ARG 105 2HB ARG 105 57.275 56.537 66.840 818 2HB ARG 105 1HB ARG 105 56.654 58.189 66.740 819 1HG ARG 105 2HG ARG 105 56.575 57.830 64.119 820 2HG ARG 105 1HG ARG 105 56.778 56.083 64.522 821 1HD ARG 105 2HD ARG 105 54.869 56.778 66.398 822 2HD ARG 105 1HD ARG 105 54.399 57.761 64.967 823 HE ARG 105 HE ARG 105 54.280 54.849 65.316 824 1HH1 ARG 105 1HH1 ARG 105 54.747 57.447 62.967 825 2HH1 ARG 105 2HH1 ARG 105 54.233 56.578 61.535 826 1HH2 ARG 105 2HH2 ARG 105 53.538 53.554 63.372 827 2HH2 ARG 105 1HH2 ARG 105 53.504 54.265 61.813 828 H GLY 106 H GLY 106 60.256 58.480 64.193 829 1HA GLY 106 1HA GLY 106 58.715 60.863 63.001 830 2HA GLY 106 2HA GLY 106 60.514 60.811 63.123 831 H TRP 107 H TRP 107 58.911 61.376 61.020 832 HA TRP 107 HA TRP 107 60.049 59.422 59.108 833 1HB TRP 107 2HB TRP 107 57.815 60.480 57.690 834 2HB TRP 107 1HB TRP 107 58.068 58.771 58.250 835 HD1 TRP 107 HD1 TRP 107 57.156 58.643 61.185 836 HE1 TRP 107 HE1 TRP 107 55.173 59.756 62.261 837 HE3 TRP 107 HE3 TRP 107 56.453 62.099 57.684 838 HZ2 TRP 107 HZ2 TRP 107 53.547 61.833 61.654 839 HZ3 TRP 107 HZ3 TRP 107 54.630 63.673 57.967 840 HH2 TRP 107 HH2 TRP 107 53.167 63.567 59.946 841 H LYS 108 H LYS 108 61.709 60.201 58.449 842 HA LYS 108 HA LYS 108 61.956 63.005 57.526 843 1HB LYS 108 2HB LYS 108 63.798 60.524 57.658 844 2HB LYS 108 1HB LYS 108 64.349 62.202 57.107 845 1HG LYS 108 2HG LYS 108 63.831 63.246 59.148 846 2HG LYS 108 1HG LYS 108 63.128 61.654 59.824 847 1HD LYS 108 2HD LYS 108 65.375 61.754 60.799 848 2HD LYS 108 1HD LYS 108 65.456 60.618 59.407 849 1HE LYS 108 2HE LYS 108 65.839 63.450 58.703 850 2HE LYS 108 1HE LYS 108 67.122 62.799 59.854 851 1HZ LYS 108 1HZ LYS 108 67.991 62.229 57.864 852 2HZ LYS 108 2HZ LYS 108 66.571 61.960 57.066 853 3HZ LYS 108 3HZ LYS 108 67.166 60.809 58.132 854 H GLN 109 H GLN 109 60.422 62.758 55.992 855 HA GLN 109 HA GLN 109 61.374 61.435 53.385 856 1HB GLN 109 2HB GLN 109 59.224 62.816 52.604 857 2HB GLN 109 1HB GLN 109 59.083 61.093 53.309 858 1HG GLN 109 2HG GLN 109 58.299 62.193 55.451 859 2HG GLN 109 1HG GLN 109 58.880 63.828 54.792 860 1HE2 GLN 109 1HE2 GLN 109 57.038 60.941 53.982 861 2HE2 GLN 109 2HE2 GLN 109 55.580 61.877 53.235 862 H TRP 110 H TRP 110 63.059 62.791 52.544 863 HA TRP 110 HA TRP 110 62.442 65.751 52.771 864 1HB TRP 110 2HB TRP 110 64.658 66.141 52.662 865 2HB TRP 110 1HB TRP 110 64.475 64.576 53.644 866 HD1 TRP 110 HD1 TRP 110 65.675 65.798 50.182 867 HE1 TRP 110 HE1 TRP 110 67.131 63.784 49.172 868 HE3 TRP 110 HE3 TRP 110 64.706 62.526 53.724 869 HZ2 TRP 110 HZ2 TRP 110 67.623 61.157 50.063 870 HZ3 TRP 110 HZ3 TRP 110 65.611 60.263 53.746 871 HH2 TRP 110 HH2 TRP 110 67.052 59.604 51.948 872 H VAL 111 H VAL 111 61.765 63.519 50.523 873 HA VAL 111 HA VAL 111 61.130 63.611 48.295 874 HB VAL 111 HB VAL 111 61.438 66.633 48.691 875 1HG1 VAL 111 1HG1 VAL 111 59.033 66.282 47.280 876 2HG1 VAL 111 2HG1 VAL 111 60.202 65.024 46.619 877 3HG1 VAL 111 3HG1 VAL 111 60.643 66.764 46.675 878 1HG2 VAL 111 1HG2 VAL 111 60.218 65.584 50.740 879 2HG2 VAL 111 2HG2 VAL 111 59.058 64.864 49.535 880 3HG2 VAL 111 3HG2 VAL 111 59.172 66.672 49.742 881 H GLU 112 H GLU 112 62.116 63.117 46.661 882 HA GLU 112 HA GLU 112 64.536 64.604 45.806 883 1HB GLU 112 2HB GLU 112 64.160 61.745 46.511 884 2HB GLU 112 1HB GLU 112 65.132 62.089 45.017 885 1HG GLU 112 2HG GLU 112 65.703 63.889 47.363 886 2HG GLU 112 1HG GLU 112 66.080 62.049 47.646 887 H GLY 113 H GLY 113 61.521 64.065 45.073 888 1HA GLY 113 1HA GLY 113 60.211 64.247 43.104 889 2HA GLY 113 2HA GLY 113 61.716 64.463 42.123 890 H ASP 114 H ASP 114 59.111 62.545 42.278 891 HA ASP 114 HA ASP 114 58.587 60.603 41.304 892 1HB ASP 114 2HB ASP 114 59.859 60.124 39.454 893 2HB ASP 114 1HB ASP 114 61.273 61.134 40.164 894 H LYS 115 H LYS 115 61.687 60.273 42.992 895 HA LYS 115 HA LYS 115 60.708 57.836 44.503 896 1HB LYS 115 2HB LYS 115 63.459 58.775 43.397 897 2HB LYS 115 1HB LYS 115 63.368 57.742 44.853 898 1HG LYS 115 2HG LYS 115 61.995 57.069 42.171 899 2HG LYS 115 1HG LYS 115 63.670 56.494 42.639 900 1HD LYS 115 2HD LYS 115 60.925 55.961 44.012 901 2HD LYS 115 1HD LYS 115 61.984 54.752 43.164 902 1HE LYS 115 2HE LYS 115 63.843 55.621 44.908 903 2HE LYS 115 1HE LYS 115 62.368 56.135 45.820 904 1HZ LYS 115 1HZ LYS 115 62.596 53.423 44.687 905 2HZ LYS 115 2HZ LYS 115 61.700 53.923 46.019 906 3HZ LYS 115 3HZ LYS 115 63.364 53.709 46.141 907 H LEU 116 H LEU 116 60.758 57.901 46.544 908 HA LEU 116 HA LEU 116 61.897 60.422 47.807 909 1HB LEU 116 2HB LEU 116 59.332 60.529 47.457 910 2HB LEU 116 1HB LEU 116 59.261 59.217 48.747 911 HG LEU 116 HG LEU 116 60.982 61.466 49.534 912 1HD1 LEU 116 1HD1 LEU 116 58.575 62.574 50.341 913 2HD1 LEU 116 2HD1 LEU 116 57.965 61.709 48.906 914 3HD1 LEU 116 3HD1 LEU 116 59.249 63.025 48.735 915 1HD2 LEU 116 1HD2 LEU 116 59.808 59.276 50.616 916 2HD2 LEU 116 2HD2 LEU 116 58.730 60.563 51.308 917 3HD2 LEU 116 3HD2 LEU 116 60.498 60.622 51.596 918 H TYR 117 H TYR 117 62.898 60.273 49.695 919 HA TYR 117 HA TYR 117 62.973 57.428 50.640 920 1HB TYR 117 2HB TYR 117 65.053 59.464 49.952 921 2HB TYR 117 1HB TYR 117 65.251 58.699 51.592 922 HD1 TYR 117 HD1 TYR 117 67.087 58.293 48.880 923 HD2 TYR 117 HD2 TYR 117 64.039 55.836 50.760 924 HE1 TYR 117 HE1 TYR 117 68.027 56.295 47.893 925 HE2 TYR 117 HE2 TYR 117 65.012 53.923 49.756 926 HH TYR 117 HH TYR 117 66.936 53.846 47.240 927 H LEU 118 H LEU 118 61.147 57.822 51.613 928 HA LEU 118 HA LEU 118 61.395 59.553 53.996 929 1HB LEU 118 2HB LEU 118 59.113 59.218 53.052 930 2HB LEU 118 1HB LEU 118 59.236 57.411 53.144 931 HG LEU 118 HG LEU 118 59.483 57.555 55.673 932 1HD1 LEU 118 1HD1 LEU 118 58.294 60.170 55.822 933 2HD1 LEU 118 2HD1 LEU 118 59.861 60.332 55.004 934 3HD1 LEU 118 3HD1 LEU 118 59.750 59.545 56.683 935 1HD2 LEU 118 1HD2 LEU 118 56.981 57.872 55.940 936 2HD2 LEU 118 2HD2 LEU 118 57.254 57.306 54.219 937 3HD2 LEU 118 3HD2 LEU 118 56.982 59.069 54.612 938 H GLU 119 H GLU 119 62.311 59.025 55.943 939 HA GLU 119 HA GLU 119 63.265 56.167 56.180 940 1HB GLU 119 2HB GLU 119 64.374 58.523 57.752 941 2HB GLU 119 1HB GLU 119 65.031 56.910 57.372 942 1HG GLU 119 2HG GLU 119 64.363 58.898 55.089 943 2HG GLU 119 1HG GLU 119 65.939 58.904 55.999 944 H LEU 120 H LEU 120 61.772 55.013 57.466 945 HA LEU 120 HA LEU 120 60.513 56.665 59.537 946 1HB LEU 120 2HB LEU 120 60.049 53.928 58.601 947 2HB LEU 120 1HB LEU 120 59.787 54.182 60.430 948 HG LEU 120 HG LEU 120 58.499 55.575 58.082 949 1HD1 LEU 120 1HD1 LEU 120 57.310 53.470 58.823 950 2HD1 LEU 120 2HD1 LEU 120 56.371 54.969 59.207 951 3HD1 LEU 120 3HD1 LEU 120 57.254 54.116 60.543 952 1HD2 LEU 120 1HD2 LEU 120 57.098 56.760 60.062 953 2HD2 LEU 120 2HD2 LEU 120 58.699 57.426 59.577 954 3HD2 LEU 120 3HD2 LEU 120 58.557 56.340 61.044 955 H THR 121 H THR 121 60.769 56.244 61.809 956 HA THR 121 HA THR 121 63.188 54.609 62.538 957 HB THR 121 HB THR 121 63.962 56.414 64.133 958 HG1 THR 121 1HG THR 121 62.989 58.533 63.248 959 1HG2 THR 121 1HG2 THR 121 65.247 57.393 62.307 960 2HG2 THR 121 2HG2 THR 121 63.744 57.834 61.403 961 3HG2 THR 121 3HG2 THR 121 64.433 56.159 61.273 962 H CYS 122 H CYS 122 60.285 54.304 62.650 963 HA CYS 122 HA CYS 122 59.236 54.601 65.266 964 1HB CYS 122 2HB CYS 122 58.514 53.475 62.803 965 2HB CYS 122 1HB CYS 122 58.652 51.989 63.755 966 HG CYS 122 HG CYS 122 56.310 54.135 63.452 967 H GLY 123 H GLY 123 59.809 53.891 67.077 968 1HA GLY 123 1HA GLY 123 60.049 52.015 68.583 969 2HA GLY 123 2HA GLY 123 60.736 51.067 67.171 970 H ASP 124 H ASP 124 62.258 50.407 68.711 971 HA ASP 124 HA ASP 124 64.324 52.227 69.834 972 1HB ASP 124 2HB ASP 124 64.554 49.193 69.327 973 2HB ASP 124 1HB ASP 124 65.307 50.249 70.674 974 H GLN 125 H GLN 125 63.553 50.513 67.031 975 HA GLN 125 HA GLN 125 66.382 50.936 65.993 976 1HB GLN 125 2HB GLN 125 64.213 48.841 65.679 977 2HB GLN 125 1HB GLN 125 65.261 49.084 64.249 978 1HG GLN 125 2HG GLN 125 67.321 48.623 65.536 979 2HG GLN 125 1HG GLN 125 66.278 48.440 67.006 980 1HE2 GLN 125 2HE2 GLN 125 64.593 46.888 66.906 981 2HE2 GLN 125 1HE2 GLN 125 64.775 45.348 65.802 982 H VAL 126 H VAL 126 66.374 51.038 63.646 983 HA VAL 126 HA VAL 126 64.589 53.261 62.737 984 HB VAL 126 HB VAL 126 67.367 52.348 61.678 985 1HG1 VAL 126 1HG1 VAL 126 66.785 54.000 60.087 986 2HG1 VAL 126 2HG1 VAL 126 66.692 55.183 61.469 987 3HG1 VAL 126 3HG1 VAL 126 65.216 54.239 60.858 988 1HG2 VAL 126 1HG2 VAL 126 68.055 53.130 63.746 989 2HG2 VAL 126 2HG2 VAL 126 66.474 53.828 64.151 990 3HG2 VAL 126 3HG2 VAL 126 67.633 54.781 63.115 991 H CYS 127 H CYS 127 63.444 53.129 60.919 992 HA CYS 127 HA CYS 127 63.604 50.526 59.298 993 1HB CYS 127 2HB CYS 127 61.120 52.319 59.361 994 2HB CYS 127 1HB CYS 127 61.243 50.579 59.339 995 HG CYS 127 HG CYS 127 61.616 52.624 61.943 996 H ARG 128 H ARG 128 61.901 51.368 57.370 997 HA ARG 128 HA ARG 128 62.937 53.971 56.297 998 1HB ARG 128 2HB ARG 128 64.868 52.919 55.811 999 2HB ARG 128 1HB ARG 128 64.103 51.271 55.507 1000 1HG ARG 128 2HG ARG 128 63.547 51.641 53.391 1001 2HG ARG 128 1HG ARG 128 63.353 53.400 53.500 1002 1HD ARG 128 2HD ARG 128 65.366 52.849 52.145 1003 2HD ARG 128 1HD ARG 128 65.862 53.634 53.760 1004 HE ARG 128 HE ARG 128 66.139 51.155 54.487 1005 1HH1 ARG 128 1HH2 ARG 128 66.918 52.312 51.179 1006 2HH1 ARG 128 2HH2 ARG 128 68.125 51.062 50.973 1007 1HH2 ARG 128 1HH1 ARG 128 67.734 49.530 54.137 1008 2HH2 ARG 128 2HH1 ARG 128 68.565 49.507 52.626 1009 H GLN 129 H GLN 129 61.364 54.814 55.293 1010 HA GLN 129 HA GLN 129 59.405 52.989 53.957 1011 1HB GLN 129 2HB GLN 129 59.494 55.976 54.360 1012 2HB GLN 129 1HB GLN 129 58.134 55.117 53.449 1013 1HG GLN 129 2HG GLN 129 58.872 53.934 56.054 1014 2HG GLN 129 1HG GLN 129 58.060 55.606 56.166 1015 1HE2 GLN 129 1HE2 GLN 129 58.041 52.306 55.082 1016 2HE2 GLN 129 2HE2 GLN 129 56.308 52.019 54.881 1017 H VAL 130 H VAL 130 59.142 52.507 51.806 1018 HA VAL 130 HA VAL 130 60.893 54.198 49.972 1019 HB VAL 130 HB VAL 130 59.465 51.533 49.299 1020 1HG1 VAL 130 1HG1 VAL 130 60.349 53.552 47.608 1021 2HG1 VAL 130 2HG1 VAL 130 60.361 51.795 47.160 1022 3HG1 VAL 130 3HG1 VAL 130 61.853 52.659 47.790 1023 1HG2 VAL 130 1HG2 VAL 130 62.462 51.706 49.333 1024 2HG2 VAL 130 2HG2 VAL 130 61.368 50.300 49.634 1025 3HG2 VAL 130 3HG2 VAL 130 61.631 51.453 50.979 1026 H PHE 131 H PHE 131 59.785 55.757 49.423 1027 HA PHE 131 HA PHE 131 56.871 55.619 48.602 1028 1HB PHE 131 2HB PHE 131 58.822 57.531 49.983 1029 2HB PHE 131 1HB PHE 131 57.563 58.264 48.853 1030 HD1 PHE 131 HD1 PHE 131 57.580 55.562 51.451 1031 HD2 PHE 131 HD2 PHE 131 55.859 59.159 49.928 1032 HE1 PHE 131 HE1 PHE 131 55.824 55.465 53.304 1033 HE2 PHE 131 HE2 PHE 131 54.160 59.103 51.695 1034 HZ PHE 131 HZ PHE 131 54.183 57.215 53.384 1035 H LYS 132 H LYS 132 56.240 56.802 46.862 1036 HA LYS 132 HA LYS 132 58.252 57.771 44.830 1037 1HB LYS 132 2HB LYS 132 55.704 55.962 44.500 1038 2HB LYS 132 1HB LYS 132 56.702 56.731 43.196 1039 1HG LYS 132 2HG LYS 132 58.347 55.199 43.259 1040 2HG LYS 132 1HG LYS 132 58.298 54.906 45.045 1041 1HD LYS 132 2HD LYS 132 57.415 53.026 43.438 1042 2HD LYS 132 1HD LYS 132 56.372 53.480 44.924 1043 1HE LYS 132 2HE LYS 132 54.761 54.472 43.570 1044 2HE LYS 132 1HE LYS 132 55.998 54.873 42.307 1045 1HZ LYS 132 1HZ LYS 132 54.405 53.013 41.714 1046 2HZ LYS 132 2HZ LYS 132 54.922 52.186 43.092 1047 3HZ LYS 132 3HZ LYS 132 55.936 52.366 41.810 1048 H LYS 133 H LYS 133 57.147 59.306 43.537 1049 HA LYS 133 HA LYS 133 54.358 60.160 44.501 1050 1HB LYS 133 2HB LYS 133 55.339 62.505 45.029 1051 2HB LYS 133 1HB LYS 133 55.618 61.067 46.160 1052 1HG LYS 133 2HG LYS 133 57.821 61.141 45.886 1053 2HG LYS 133 1HG LYS 133 57.717 61.370 44.044 1054 1HD LYS 133 2HD LYS 133 57.276 63.639 46.082 1055 2HD LYS 133 1HD LYS 133 58.837 63.214 45.190 1056 1HE LYS 133 2HE LYS 133 58.096 63.942 43.237 1057 2HE LYS 133 1HE LYS 133 56.358 63.378 43.501 1058 1HZ LYS 133 1HZ LYS 133 57.337 65.534 45.202 1059 2HZ LYS 133 2HZ LYS 133 55.831 65.276 44.594 1060 3HZ LYS 133 3HZ LYS 133 57.031 65.966 43.614 1061 H LYS 134 H LYS 134 53.234 61.548 43.446 1062 HA LYS 134 HA LYS 134 54.293 63.259 41.426 1063 1HB LYS 134 2HB LYS 134 53.232 61.915 39.416 1064 2HB LYS 134 1HB LYS 134 54.703 61.187 40.139 1065 1HG LYS 134 2HG LYS 134 52.263 60.351 41.612 1066 2HG LYS 134 1HG LYS 134 52.032 59.995 39.846 1067 1HD LYS 134 2HD LYS 134 54.529 59.252 41.436 1068 2HD LYS 134 1HD LYS 134 53.069 58.157 41.199 1069 1HE LYS 134 2HE LYS 134 54.187 59.590 38.804 1070 2HE LYS 134 1HE LYS 134 55.132 58.114 39.377 1071 1HZ LYS 134 1HZ LYS 134 53.751 56.984 38.119 1072 2HZ LYS 134 2HZ LYS 134 52.555 58.139 37.999 1073 3HZ LYS 134 3HZ LYS 134 52.632 57.192 39.345 1074 1H2 RTL 135 1H2 RET 135 49.324 49.782 57.157 1075 2H2 RTL 135 2H2 RET 135 47.731 49.960 57.690 1076 1H3 RTL 135 1H3 RET 135 48.069 48.531 59.389 1077 2H3 RTL 135 2H3 RET 135 49.695 48.330 58.938 1078 1H4 RTL 135 1H4 RET 135 49.820 49.074 61.214 1079 2H4 RTL 135 2H4 RET 135 48.572 50.240 61.036 1080 H7 RTL 135 H7 RET 135 52.159 52.253 58.503 1081 H8 RTL 135 H8 RET 135 49.916 54.320 59.159 1082 H10 RTL 135 H10 RET 135 50.666 55.831 56.869 1083 H11 RTL 135 H11 RET 135 53.496 56.476 56.903 1084 H12 RTL 135 H12 RET 135 51.402 58.702 57.468 1085 H14 RTL 135 H14 RET 135 52.319 60.108 55.287 1086 1H15 RTL 135 1H15 RET 135 55.177 60.747 55.441 1087 2H15 RTL 135 2H15 RET 135 54.123 61.986 56.276 1088 HO1 RTL 135 H51 RET 135 53.910 61.076 53.653 1089 1H16 RTL 135 1H16 RET 135 50.086 52.234 56.627 1090 2H16 RTL 135 2H16 RET 135 48.989 53.431 57.307 1091 3H16 RTL 135 3H16 RET 135 48.327 52.037 56.413 1092 1H17 RTL 135 1H17 RET 135 48.164 53.284 59.305 1093 2H17 RTL 135 2H17 RET 135 47.363 51.763 59.691 1094 3H17 RTL 135 3H17 RET 135 47.126 52.494 58.083 1095 1H18 RTL 135 1H18 RET 135 52.022 51.799 61.242 1096 2H18 RTL 135 2H18 RET 135 52.358 50.106 60.777 1097 3H18 RTL 135 3H18 RET 135 51.278 50.504 62.128 1098 1H19 RTL 135 1H19 RET 135 52.799 55.645 60.225 1099 2H19 RTL 135 2H19 RET 135 53.900 55.416 58.843 1100 3H19 RTL 135 3H19 RET 135 53.228 54.031 59.754 1101 1H20 RTL 135 1H20 RET 135 55.354 59.798 57.352 1102 2H20 RTL 135 2H20 RET 135 54.928 58.179 57.912 1103 3H20 RTL 135 3H20 RET 135 54.294 59.633 58.773 Start of MODEL 9 1 1H MET 1 1H MET 1 63.532 74.256 42.642 2 2H MET 1 2H MET 1 63.866 75.111 44.002 3 3H MET 1 3H MET 1 62.246 74.671 43.611 4 HA MET 1 HA MET 1 62.560 72.433 44.195 5 1HB MET 1 2HB MET 1 65.007 72.604 42.943 6 2HB MET 1 1HB MET 1 65.516 72.942 44.640 7 1HG MET 1 2HG MET 1 65.584 70.539 44.518 8 2HG MET 1 1HG MET 1 64.061 70.858 45.309 9 1HE MET 1 1HE MET 1 62.169 70.397 44.920 10 2HE MET 1 2HE MET 1 61.866 68.825 44.068 11 3HE MET 1 3HE MET 1 61.262 70.243 43.327 12 H THR 2 H THR 2 62.101 74.910 45.505 13 HA THR 2 HA THR 2 63.556 74.735 48.106 14 HB THR 2 HB THR 2 60.990 76.347 47.435 15 HG1 THR 2 1HG THR 2 62.700 77.975 46.893 16 1HG2 THR 2 1HG2 THR 2 61.730 77.412 49.547 17 2HG2 THR 2 2HG2 THR 2 63.365 77.667 48.884 18 3HG2 THR 2 3HG2 THR 2 62.948 76.100 49.674 19 H LYS 3 H LYS 3 63.050 73.106 49.229 20 HA LYS 3 HA LYS 3 61.792 71.252 50.039 21 1HB LYS 3 2HB LYS 3 59.715 72.390 51.424 22 2HB LYS 3 1HB LYS 3 61.428 72.356 52.015 23 1HG LYS 3 2HG LYS 3 61.733 74.668 51.239 24 2HG LYS 3 1HG LYS 3 60.188 74.597 50.283 25 1HD LYS 3 2HD LYS 3 58.796 74.397 52.289 26 2HD LYS 3 1HD LYS 3 60.249 74.113 53.305 27 1HE LYS 3 2HE LYS 3 61.087 76.370 52.797 28 2HE LYS 3 1HE LYS 3 59.448 76.751 51.979 29 1HZ LYS 3 1HZ LYS 3 58.390 76.153 54.078 30 2HZ LYS 3 2HZ LYS 3 59.460 77.370 54.400 31 3HZ LYS 3 3HZ LYS 3 59.818 75.731 54.755 32 H ASP 4 H ASP 4 58.871 73.261 49.716 33 HA ASP 4 HA ASP 4 56.815 72.686 48.850 34 1HB ASP 4 2HB ASP 4 58.787 72.254 46.565 35 2HB ASP 4 1HB ASP 4 57.141 71.484 46.487 36 H GLN 5 H GLN 5 56.654 71.061 50.660 37 HA GLN 5 HA GLN 5 57.386 68.344 50.035 38 1HB GLN 5 2HB GLN 5 55.681 69.956 52.001 39 2HB GLN 5 1HB GLN 5 55.596 68.090 52.060 40 1HG GLN 5 2HG GLN 5 58.089 69.831 52.084 41 2HG GLN 5 1HG GLN 5 57.356 69.051 53.610 42 1HE2 GLN 5 2HE2 GLN 5 56.641 66.787 53.107 43 2HE2 GLN 5 1HE2 GLN 5 57.906 65.652 52.512 44 H ASN 6 H ASN 6 54.248 69.800 50.453 45 HA ASN 6 HA ASN 6 52.229 68.493 49.700 46 1HB ASN 6 2HB ASN 6 52.355 70.269 47.284 47 2HB ASN 6 1HB ASN 6 51.281 70.374 48.767 48 1HD2 ASN 6 1HD2 ASN 6 51.399 71.941 49.930 49 2HD2 ASN 6 2HD2 ASN 6 52.946 73.026 50.110 50 H GLY 7 H GLY 7 52.457 66.398 49.083 51 1HA GLY 7 1HA GLY 7 52.777 66.112 46.097 52 2HA GLY 7 2HA GLY 7 53.896 65.277 47.209 53 H THR 8 H THR 8 52.862 63.715 45.835 54 HA THR 8 HA THR 8 50.726 62.302 47.264 55 HB THR 8 HB THR 8 51.028 62.570 44.181 56 HG1 THR 8 1HG THR 8 49.661 64.052 44.523 57 1HG2 THR 8 1HG2 THR 8 50.327 60.236 44.920 58 2HG2 THR 8 2HG2 THR 8 48.795 61.086 44.320 59 3HG2 THR 8 3HG2 THR 8 49.098 60.911 46.061 60 H TRP 9 H TRP 9 51.116 60.102 47.320 61 HA TRP 9 HA TRP 9 53.353 58.980 45.896 62 1HB TRP 9 2HB TRP 9 54.706 58.729 48.345 63 2HB TRP 9 1HB TRP 9 55.188 59.728 46.957 64 HD1 TRP 9 HD1 TRP 9 52.298 60.057 49.544 65 HE1 TRP 9 HE1 TRP 9 52.285 62.423 50.582 66 HE3 TRP 9 HE3 TRP 9 56.284 61.827 47.222 67 HZ2 TRP 9 HZ2 TRP 9 53.795 64.627 50.362 68 HZ3 TRP 9 HZ3 TRP 9 57.056 64.100 47.617 69 HH2 TRP 9 HH2 TRP 9 55.876 65.558 49.154 70 H GLU 10 H GLU 10 52.417 57.026 45.631 71 HA GLU 10 HA GLU 10 50.918 55.585 47.585 72 1HB GLU 10 2HB GLU 10 52.145 54.969 44.879 73 2HB GLU 10 1HB GLU 10 51.728 53.588 45.969 74 1HG GLU 10 2HG GLU 10 49.566 55.593 46.069 75 2HG GLU 10 1HG GLU 10 50.059 55.181 44.299 76 H MET 11 H MET 11 51.550 54.525 49.181 77 HA MET 11 HA MET 11 54.360 53.978 49.983 78 1HB MET 11 2HB MET 11 51.522 52.863 50.747 79 2HB MET 11 1HB MET 11 53.038 52.131 51.372 80 1HG MET 11 2HG MET 11 53.735 54.227 52.427 81 2HG MET 11 1HG MET 11 52.550 55.129 51.472 82 1HE MET 11 1HE MET 11 53.719 53.478 54.308 83 2HE MET 11 2HE MET 11 52.491 52.213 54.882 84 3HE MET 11 3HE MET 11 52.573 53.803 55.605 85 H GLU 12 H GLU 12 55.678 52.329 49.466 86 HA GLU 12 HA GLU 12 54.594 50.242 47.598 87 1HB GLU 12 2HB GLU 12 56.788 52.207 47.251 88 2HB GLU 12 1HB GLU 12 57.444 50.536 47.280 89 1HG GLU 12 2HG GLU 12 56.686 51.448 45.009 90 2HG GLU 12 1HG GLU 12 55.649 49.939 45.570 91 H SER 13 H SER 13 57.415 51.134 49.593 92 HA SER 13 HA SER 13 57.175 48.434 50.956 93 1HB SER 13 2HB SER 13 59.321 49.355 49.098 94 2HB SER 13 1HB SER 13 59.970 49.010 50.793 95 HG SER 13 HG SER 13 58.357 47.126 50.251 96 H ASN 14 H ASN 14 59.042 48.435 52.434 97 HA ASN 14 HA ASN 14 59.847 50.725 53.927 98 1HB ASN 14 2HB ASN 14 58.454 48.961 55.921 99 2HB ASN 14 1HB ASN 14 58.166 50.761 55.612 100 1HD2 ASN 14 2HD2 ASN 14 57.477 47.492 54.758 101 2HD2 ASN 14 1HD2 ASN 14 55.845 47.798 53.911 102 H GLU 15 H GLU 15 60.498 49.984 56.236 103 HA GLU 15 HA GLU 15 61.854 47.327 55.803 104 1HB GLU 15 2HB GLU 15 62.913 50.148 56.328 105 2HB GLU 15 1HB GLU 15 63.801 48.845 57.220 106 1HG GLU 15 2HG GLU 15 63.114 48.572 54.283 107 2HG GLU 15 1HG GLU 15 64.735 49.293 54.950 108 H ASN 16 H ASN 16 62.807 46.641 57.990 109 HA ASN 16 HA ASN 16 62.190 45.758 60.040 110 1HB ASN 16 2HB ASN 16 62.894 48.684 60.331 111 2HB ASN 16 1HB ASN 16 62.060 47.872 61.784 112 1HD2 ASN 16 2HD2 ASN 16 64.852 47.810 59.669 113 2HD2 ASN 16 1HD2 ASN 16 65.786 46.654 60.798 114 H PHE 17 H PHE 17 60.247 45.532 58.676 115 HA PHE 17 HA PHE 17 57.742 46.791 58.825 116 1HB PHE 17 2HB PHE 17 58.079 43.797 59.211 117 2HB PHE 17 1HB PHE 17 56.717 44.669 58.379 118 HD1 PHE 17 HD1 PHE 17 59.685 42.845 57.790 119 HD2 PHE 17 HD2 PHE 17 57.602 46.332 56.464 120 HE1 PHE 17 HE1 PHE 17 60.914 42.825 55.641 121 HE2 PHE 17 HE2 PHE 17 58.868 46.280 54.319 122 HZ PHE 17 HZ PHE 17 60.512 44.597 53.843 123 H GLU 18 H GLU 18 59.417 44.741 61.024 124 HA GLU 18 HA GLU 18 57.422 44.429 63.134 125 1HB GLU 18 2HB GLU 18 60.562 44.586 62.932 126 2HB GLU 18 1HB GLU 18 59.658 44.258 64.477 127 1HG GLU 18 2HG GLU 18 58.587 42.244 63.332 128 2HG GLU 18 1HG GLU 18 59.791 42.490 61.917 129 H GLY 19 H GLY 19 59.718 47.078 62.621 130 1HA GLY 19 1HA GLY 19 59.186 48.086 65.330 131 2HA GLY 19 2HA GLY 19 59.992 49.081 64.052 132 H TYR 20 H TYR 20 57.324 48.343 62.301 133 HA TYR 20 HA TYR 20 55.957 50.761 63.272 134 1HB TYR 20 2HB TYR 20 55.067 48.478 61.364 135 2HB TYR 20 1HB TYR 20 54.279 50.090 61.481 136 HD1 TYR 20 HD1 TYR 20 57.454 51.093 62.045 137 HD2 TYR 20 HD2 TYR 20 55.077 49.333 58.962 138 HE1 TYR 20 HE1 TYR 20 58.983 52.091 60.375 139 HE2 TYR 20 HE2 TYR 20 56.532 50.292 57.245 140 HH TYR 20 HH TYR 20 58.273 52.632 57.456 141 H MET 21 H MET 21 55.802 47.315 63.749 142 HA MET 21 HA MET 21 53.178 47.312 65.074 143 1HB MET 21 2HB MET 21 54.820 45.575 63.646 144 2HB MET 21 1HB MET 21 55.419 45.279 65.290 145 1HG MET 21 2HG MET 21 52.379 45.428 65.094 146 2HG MET 21 1HG MET 21 53.022 44.136 64.107 147 1HE MET 21 1HE MET 21 53.794 42.202 64.524 148 2HE MET 21 2HE MET 21 54.375 41.392 66.052 149 3HE MET 21 3HE MET 21 55.375 42.546 65.259 150 H LYS 22 H LYS 22 56.472 47.874 65.826 151 HA LYS 22 HA LYS 22 56.226 47.244 68.653 152 1HB LYS 22 2HB LYS 22 58.450 47.024 67.355 153 2HB LYS 22 1HB LYS 22 58.500 48.835 67.177 154 1HG LYS 22 2HG LYS 22 58.312 48.985 69.734 155 2HG LYS 22 1HG LYS 22 58.558 47.161 69.743 156 1HD LYS 22 2HD LYS 22 60.344 49.093 68.101 157 2HD LYS 22 1HD LYS 22 60.620 48.955 69.881 158 1HE LYS 22 2HE LYS 22 60.879 46.424 69.584 159 2HE LYS 22 1HE LYS 22 60.545 46.651 67.812 160 1HZ LYS 22 1HZ LYS 22 62.676 47.405 67.513 161 2HZ LYS 22 2HZ LYS 22 62.987 46.607 68.984 162 3HZ LYS 22 3HZ LYS 22 62.759 48.212 69.007 163 H ALA 23 H ALA 23 56.342 50.050 66.643 164 HA ALA 23 HA ALA 23 56.393 52.027 68.801 165 1HB ALA 23 1HB ALA 23 56.891 52.397 66.347 166 2HB ALA 23 2HB ALA 23 55.831 53.678 67.098 167 3HB ALA 23 3HB ALA 23 55.120 52.376 66.014 168 H LEU 24 H LEU 24 54.073 50.150 67.226 169 HA LEU 24 HA LEU 24 51.703 51.242 68.736 170 1HB LEU 24 2HB LEU 24 52.283 50.485 65.972 171 2HB LEU 24 1HB LEU 24 51.626 48.968 66.705 172 HG LEU 24 HG LEU 24 49.454 49.671 66.557 173 1HD1 LEU 24 1HD1 LEU 24 50.349 52.391 67.646 174 2HD1 LEU 24 2HD1 LEU 24 49.642 51.040 68.615 175 3HD1 LEU 24 3HD1 LEU 24 48.639 51.902 67.340 176 1HD2 LEU 24 1HD2 LEU 24 49.478 52.138 65.209 177 2HD2 LEU 24 2HD2 LEU 24 49.435 50.514 64.454 178 3HD2 LEU 24 3HD2 LEU 24 51.022 51.393 64.756 179 H ASP 25 H ASP 25 50.303 48.970 68.452 180 HA ASP 25 HA ASP 25 51.506 46.481 69.428 181 1HB ASP 25 2HB ASP 25 50.539 46.752 71.796 182 2HB ASP 25 1HB ASP 25 51.712 48.097 71.424 183 H ILE 26 H ILE 26 49.989 47.351 67.400 184 HA ILE 26 HA ILE 26 47.133 47.058 67.926 185 HB ILE 26 HB ILE 26 47.935 48.517 66.259 186 1HG1 ILE 26 2HG1 ILE 26 46.457 46.248 64.753 187 2HG1 ILE 26 1HG1 ILE 26 45.736 47.358 66.005 188 1HG2 ILE 26 1HG2 ILE 26 49.100 47.783 64.155 189 2HG2 ILE 26 2HG2 ILE 26 48.648 46.054 64.571 190 3HG2 ILE 26 3HG2 ILE 26 49.931 46.917 65.506 191 1HD1 ILE 26 1HD1 ILE 26 45.878 49.287 64.775 192 2HD1 ILE 26 2HD1 ILE 26 45.809 48.201 63.370 193 3HD1 ILE 26 3HD1 ILE 26 47.411 48.753 63.939 194 H ASP 27 H ASP 27 49.453 44.973 66.004 195 HA ASP 27 HA ASP 27 48.734 42.575 67.133 196 1HB ASP 27 2HB ASP 27 46.465 43.485 65.552 197 2HB ASP 27 1HB ASP 27 47.331 42.233 64.517 198 H PHE 28 H PHE 28 49.106 40.600 65.524 199 HA PHE 28 HA PHE 28 51.691 41.228 64.324 200 1HB PHE 28 2HB PHE 28 49.802 38.748 64.454 201 2HB PHE 28 1HB PHE 28 51.453 38.747 63.655 202 HD1 PHE 28 HD1 PHE 28 53.384 38.793 65.142 203 HD2 PHE 28 HD2 PHE 28 49.421 38.918 66.651 204 HE1 PHE 28 HE1 PHE 28 54.293 38.259 67.515 205 HE2 PHE 28 HE2 PHE 28 50.259 38.391 68.966 206 HZ PHE 28 HZ PHE 28 52.703 38.069 69.342 207 H ALA 29 H ALA 29 48.479 40.548 63.163 208 HA ALA 29 HA ALA 29 49.073 40.029 60.362 209 1HB ALA 29 1HB ALA 29 46.825 40.107 62.188 210 2HB ALA 29 2HB ALA 29 46.877 39.586 60.439 211 3HB ALA 29 3HB ALA 29 46.490 41.343 60.855 212 H THR 30 H THR 30 48.351 42.817 62.228 213 HA THR 30 HA THR 30 47.960 44.814 60.329 214 HB THR 30 HB THR 30 49.359 44.914 63.049 215 HG1 THR 30 1HG THR 30 46.763 45.730 62.668 216 1HG2 THR 30 1HG2 THR 30 48.485 46.938 60.928 217 2HG2 THR 30 2HG2 THR 30 49.670 47.161 62.296 218 3HG2 THR 30 3HG2 THR 30 47.873 47.331 62.612 219 H ARG 31 H ARG 31 51.064 43.723 61.542 220 HA ARG 31 HA ARG 31 52.643 45.690 59.970 221 1HB ARG 31 2HB ARG 31 54.100 45.345 61.512 222 2HB ARG 31 1HB ARG 31 53.172 43.973 62.219 223 1HG ARG 31 2HG ARG 31 54.974 43.497 59.727 224 2HG ARG 31 1HG ARG 31 55.669 43.510 61.386 225 1HD ARG 31 2HD ARG 31 53.359 41.909 61.716 226 2HD ARG 31 1HD ARG 31 53.811 41.545 60.004 227 HE ARG 31 HE ARG 31 55.833 41.510 62.207 228 1HH1 ARG 31 1HH1 ARG 31 53.967 39.685 59.644 229 2HH1 ARG 31 2HH1 ARG 31 55.017 38.270 59.835 230 1HH2 ARG 31 1HH2 ARG 31 57.113 39.534 62.299 231 2HH2 ARG 31 2HH2 ARG 31 56.668 38.196 61.212 232 H LYS 32 H LYS 32 51.454 42.318 59.578 233 HA LYS 32 HA LYS 32 53.285 41.907 57.362 234 1HB LYS 32 2HB LYS 32 52.623 39.754 57.991 235 2HB LYS 32 1HB LYS 32 51.281 40.454 58.936 236 1HG LYS 32 2HG LYS 32 49.878 40.543 56.763 237 2HG LYS 32 1HG LYS 32 51.289 39.998 55.836 238 1HD LYS 32 2HD LYS 32 50.651 37.853 56.129 239 2HD LYS 32 1HD LYS 32 51.211 38.051 57.836 240 1HE LYS 32 2HE LYS 32 48.972 38.601 58.636 241 2HE LYS 32 1HE LYS 32 48.353 38.844 56.933 242 1HZ LYS 32 1HZ LYS 32 48.973 36.527 56.489 243 2HZ LYS 32 2HZ LYS 32 47.735 36.684 57.615 244 3HZ LYS 32 3HZ LYS 32 49.271 36.326 58.112 245 H ILE 33 H ILE 33 50.125 43.147 58.058 246 HA ILE 33 HA ILE 33 49.129 43.102 55.299 247 HB ILE 33 HB ILE 33 48.270 44.353 57.931 248 1HG1 ILE 33 2HG1 ILE 33 46.273 43.168 57.657 249 2HG1 ILE 33 1HG1 ILE 33 46.260 43.467 55.888 250 1HG2 ILE 33 1HG2 ILE 33 46.459 45.722 56.689 251 2HG2 ILE 33 2HG2 ILE 33 47.320 45.366 55.141 252 3HG2 ILE 33 3HG2 ILE 33 48.118 46.365 56.437 253 1HD1 ILE 33 1HD1 ILE 33 48.344 41.550 57.218 254 2HD1 ILE 33 2HD1 ILE 33 47.818 41.647 55.476 255 3HD1 ILE 33 3HD1 ILE 33 46.675 41.057 56.773 256 H ALA 34 H ALA 34 50.673 45.412 57.437 257 HA ALA 34 HA ALA 34 50.630 47.767 55.639 258 1HB ALA 34 1HB ALA 34 52.697 47.149 57.854 259 2HB ALA 34 2HB ALA 34 51.013 47.618 58.251 260 3HB ALA 34 3HB ALA 34 52.063 48.743 57.312 261 H VAL 35 H VAL 35 52.471 44.886 56.072 262 HA VAL 35 HA VAL 35 54.911 45.789 54.885 263 HB VAL 35 HB VAL 35 53.893 43.311 55.959 264 1HG1 VAL 35 1HG1 VAL 35 53.747 42.616 53.488 265 2HG1 VAL 35 2HG1 VAL 35 54.974 41.632 54.322 266 3HG1 VAL 35 3HG1 VAL 35 55.518 43.039 53.318 267 1HG2 VAL 35 1HG2 VAL 35 56.704 44.051 55.026 268 2HG2 VAL 35 2HG2 VAL 35 56.266 42.797 56.283 269 3HG2 VAL 35 3HG2 VAL 35 55.931 44.587 56.577 270 H ARG 36 H ARG 36 51.976 44.683 53.531 271 HA ARG 36 HA ARG 36 53.086 45.015 50.771 272 1HB ARG 36 2HB ARG 36 52.206 43.025 49.952 273 2HB ARG 36 1HB ARG 36 52.778 42.594 51.622 274 1HG ARG 36 2HG ARG 36 49.819 43.394 51.333 275 2HG ARG 36 1HG ARG 36 50.387 41.766 50.761 276 1HD ARG 36 2HD ARG 36 51.726 42.032 53.161 277 2HD ARG 36 1HD ARG 36 50.120 42.740 53.544 278 HE ARG 36 HE ARG 36 50.662 39.970 53.080 279 1HH1 ARG 36 1HH2 ARG 36 48.148 42.354 52.104 280 2HH1 ARG 36 2HH2 ARG 36 46.914 41.107 51.864 281 1HH2 ARG 36 1HH1 ARG 36 49.246 38.488 52.799 282 2HH2 ARG 36 2HH1 ARG 36 47.579 38.779 52.303 283 H LEU 37 H LEU 37 51.211 46.487 52.814 284 HA LEU 37 HA LEU 37 48.635 46.423 51.581 285 1HB LEU 37 2HB LEU 37 49.870 47.808 53.844 286 2HB LEU 37 1HB LEU 37 49.559 49.105 52.645 287 HG LEU 37 HG LEU 37 47.560 47.068 53.702 288 1HD1 LEU 37 1HD1 LEU 37 46.501 49.435 54.508 289 2HD1 LEU 37 2HD1 LEU 37 48.218 49.925 54.314 290 3HD1 LEU 37 3HD1 LEU 37 47.748 48.485 55.392 291 1HD2 LEU 37 1HD2 LEU 37 45.930 48.753 52.299 292 2HD2 LEU 37 2HD2 LEU 37 46.950 47.544 51.359 293 3HD2 LEU 37 3HD2 LEU 37 47.500 49.252 51.537 294 H THR 38 H THR 38 51.495 48.414 50.973 295 HA THR 38 HA THR 38 52.097 49.879 49.453 296 HB THR 38 HB THR 38 50.696 49.103 47.079 297 HG1 THR 38 1HG THR 38 50.206 47.131 47.359 298 1HG2 THR 38 1HG2 THR 38 52.994 49.417 46.960 299 2HG2 THR 38 2HG2 THR 38 52.923 47.639 46.796 300 3HG2 THR 38 3HG2 THR 38 53.291 48.388 48.453 301 H GLN 39 H GLN 39 50.203 50.842 51.080 302 HA GLN 39 HA GLN 39 47.931 51.898 49.885 303 1HB GLN 39 2HB GLN 39 49.647 52.230 52.370 304 2HB GLN 39 1HB GLN 39 48.900 53.789 51.871 305 1HG GLN 39 2HG GLN 39 47.538 51.120 52.375 306 2HG GLN 39 1HG GLN 39 47.449 52.714 53.358 307 1HE2 GLN 39 2HE2 GLN 39 47.018 54.572 52.122 308 2HE2 GLN 39 1HE2 GLN 39 45.698 54.608 50.981 309 H THR 40 H THR 40 47.736 54.347 50.410 310 HA THR 40 HA THR 40 49.245 56.075 48.466 311 HB THR 40 HB THR 40 46.288 56.192 49.219 312 HG1 THR 40 1HG THR 40 47.578 54.743 47.199 313 1HG2 THR 40 1HG2 THR 40 46.793 58.317 48.057 314 2HG2 THR 40 2HG2 THR 40 46.725 57.231 46.571 315 3HG2 THR 40 3HG2 THR 40 48.293 57.588 47.404 316 H LYS 41 H LYS 41 49.435 58.128 48.928 317 HA LYS 41 HA LYS 41 48.281 59.181 51.499 318 1HB LYS 41 2HB LYS 41 50.652 57.837 51.874 319 2HB LYS 41 1HB LYS 41 51.332 59.432 51.231 320 1HG LYS 41 2HG LYS 41 49.744 60.394 53.129 321 2HG LYS 41 1HG LYS 41 49.771 58.681 53.769 322 1HD LYS 41 2HD LYS 41 51.625 59.981 54.792 323 2HD LYS 41 1HD LYS 41 52.474 59.016 53.482 324 1HE LYS 41 2HE LYS 41 51.631 61.296 52.134 325 2HE LYS 41 1HE LYS 41 51.973 61.897 53.840 326 1HZ LYS 41 1HZ LYS 41 54.152 60.409 53.375 327 2HZ LYS 41 2HZ LYS 41 53.983 62.035 52.882 328 3HZ LYS 41 3HZ LYS 41 53.797 60.790 51.806 329 H ILE 42 H ILE 42 48.788 61.515 51.764 330 HA ILE 42 HA ILE 42 50.472 62.788 49.696 331 HB ILE 42 HB ILE 42 48.969 62.563 47.910 332 1HG1 ILE 42 2HG1 ILE 42 47.215 64.568 49.340 333 2HG1 ILE 42 1HG1 ILE 42 48.840 65.122 48.801 334 1HG2 ILE 42 1HG2 ILE 42 46.359 62.779 48.662 335 2HG2 ILE 42 2HG2 ILE 42 47.020 62.032 50.132 336 3HG2 ILE 42 3HG2 ILE 42 47.229 61.226 48.496 337 1HD1 ILE 42 1HD1 ILE 42 47.204 63.423 46.821 338 2HD1 ILE 42 2HD1 ILE 42 48.196 64.872 46.443 339 3HD1 ILE 42 3HD1 ILE 42 46.527 65.036 47.091 340 H ILE 43 H ILE 43 51.315 64.244 50.707 341 HA ILE 43 HA ILE 43 50.121 65.740 52.962 342 HB ILE 43 HB ILE 43 52.587 66.249 51.316 343 1HG1 ILE 43 2HG1 ILE 43 52.492 64.512 53.856 344 2HG1 ILE 43 1HG1 ILE 43 52.367 63.726 52.210 345 1HG2 ILE 43 1HG2 ILE 43 53.478 66.744 53.802 346 2HG2 ILE 43 2HG2 ILE 43 51.743 66.806 54.270 347 3HG2 ILE 43 3HG2 ILE 43 52.368 67.977 53.035 348 1HD1 ILE 43 1HD1 ILE 43 54.615 63.912 52.066 349 2HD1 ILE 43 2HD1 ILE 43 54.783 64.702 53.684 350 3HD1 ILE 43 3HD1 ILE 43 54.519 65.733 52.230 351 H VAL 44 H VAL 44 50.374 68.064 52.958 352 HA VAL 44 HA VAL 44 50.607 69.491 50.364 353 HB VAL 44 HB VAL 44 48.401 68.475 49.945 354 1HG1 VAL 44 1HG1 VAL 44 46.813 68.112 51.476 355 2HG1 VAL 44 2HG1 VAL 44 46.769 69.880 51.883 356 3HG1 VAL 44 3HG1 VAL 44 47.974 68.861 52.688 357 1HG2 VAL 44 1HG2 VAL 44 47.058 70.646 49.512 358 2HG2 VAL 44 2HG2 VAL 44 48.827 70.856 49.167 359 3HG2 VAL 44 3HG2 VAL 44 48.130 71.537 50.672 360 H GLN 45 H GLN 45 51.992 70.766 51.524 361 HA GLN 45 HA GLN 45 50.863 72.093 53.866 362 1HB GLN 45 2HB GLN 45 53.522 71.827 52.460 363 2HB GLN 45 1HB GLN 45 53.313 73.324 53.534 364 1HG GLN 45 2HG GLN 45 53.259 71.894 55.442 365 2HG GLN 45 1HG GLN 45 52.193 70.711 54.423 366 1HE2 GLN 45 1HE2 GLN 45 55.230 72.214 54.087 367 2HE2 GLN 45 2HE2 GLN 45 56.288 70.628 53.888 368 H ASP 46 H ASP 46 50.524 73.935 54.407 369 HA ASP 46 HA ASP 46 50.521 75.946 52.231 370 1HB ASP 46 2HB ASP 46 48.279 74.594 52.872 371 2HB ASP 46 1HB ASP 46 48.072 75.891 54.168 372 H GLY 47 H GLY 47 52.102 75.360 54.514 373 1HA GLY 47 1HA GLY 47 53.472 76.892 55.829 374 2HA GLY 47 2HA GLY 47 52.175 78.200 55.596 375 H ASP 48 H ASP 48 53.420 75.674 57.465 376 HA ASP 48 HA ASP 48 52.856 75.054 59.729 377 1HB ASP 48 2HB ASP 48 53.080 77.782 59.421 378 2HB ASP 48 1HB ASP 48 51.413 77.717 60.239 379 H ASN 49 H ASN 49 51.321 73.798 58.336 380 HA ASN 49 HA ASN 49 49.142 72.887 59.678 381 1HB ASN 49 2HB ASN 49 47.081 74.065 58.342 382 2HB ASN 49 1HB ASN 49 47.869 74.968 59.711 383 1HD2 ASN 49 2HD2 ASN 49 47.771 76.910 59.186 384 2HD2 ASN 49 1HD2 ASN 49 48.377 77.649 57.579 385 H PHE 50 H PHE 50 50.558 71.376 58.508 386 HA PHE 50 HA PHE 50 49.691 70.964 55.705 387 1HB PHE 50 2HB PHE 50 51.525 69.339 55.578 388 2HB PHE 50 1HB PHE 50 52.115 70.698 56.614 389 HD1 PHE 50 HD1 PHE 50 50.448 67.280 56.993 390 HD2 PHE 50 HD2 PHE 50 52.847 70.479 58.639 391 HE1 PHE 50 HE1 PHE 50 50.971 65.894 59.016 392 HE2 PHE 50 HE2 PHE 50 53.346 69.146 60.620 393 HZ PHE 50 HZ PHE 50 52.350 66.797 60.736 394 H LYS 51 H LYS 51 49.173 68.788 54.764 395 HA LYS 51 HA LYS 51 47.465 67.392 56.745 396 1HB LYS 51 2HB LYS 51 45.894 68.852 55.949 397 2HB LYS 51 1HB LYS 51 46.627 68.981 54.289 398 1HG LYS 51 2HG LYS 51 44.417 67.683 54.314 399 2HG LYS 51 1HG LYS 51 45.786 66.569 53.857 400 1HD LYS 51 2HD LYS 51 45.731 65.550 55.865 401 2HD LYS 51 1HD LYS 51 45.185 67.075 56.771 402 1HE LYS 51 2HE LYS 51 42.961 66.857 56.078 403 2HE LYS 51 1HE LYS 51 43.317 65.417 54.970 404 1HZ LYS 51 1HZ LYS 51 42.467 64.548 56.975 405 2HZ LYS 51 2HZ LYS 51 43.300 65.597 57.995 406 3HZ LYS 51 3HZ LYS 51 44.085 64.352 57.146 407 H THR 52 H THR 52 48.029 65.414 56.795 408 HA THR 52 HA THR 52 48.340 64.088 54.087 409 HB THR 52 HB THR 52 50.612 64.292 54.958 410 HG1 THR 52 1HG THR 52 49.989 62.007 56.266 411 1HG2 THR 52 1HG2 THR 52 51.075 63.534 57.458 412 2HG2 THR 52 2HG2 THR 52 49.289 63.881 57.764 413 3HG2 THR 52 3HG2 THR 52 50.397 65.183 57.260 414 H LYS 53 H LYS 53 47.232 62.294 53.759 415 HA LYS 53 HA LYS 53 46.220 60.813 56.216 416 1HB LYS 53 2HB LYS 53 44.490 61.145 53.615 417 2HB LYS 53 1HB LYS 53 44.004 60.802 55.358 418 1HG LYS 53 2HG LYS 53 43.270 62.878 55.183 419 2HG LYS 53 1HG LYS 53 45.036 63.378 55.450 420 1HD LYS 53 2HD LYS 53 44.530 64.607 53.554 421 2HD LYS 53 1HD LYS 53 45.174 63.080 52.824 422 1HE LYS 53 2HE LYS 53 42.409 62.437 53.108 423 2HE LYS 53 1HE LYS 53 42.366 64.258 52.836 424 1HZ LYS 53 1HZ LYS 53 43.158 62.096 51.108 425 2HZ LYS 53 2HZ LYS 53 44.072 63.480 50.929 426 3HZ LYS 53 3HZ LYS 53 42.420 63.554 50.757 427 H THR 54 H THR 54 45.389 58.825 55.597 428 HA THR 54 HA THR 54 46.955 57.490 53.403 429 HB THR 54 HB THR 54 46.509 56.023 55.949 430 HG1 THR 54 1HG THR 54 47.210 58.165 56.396 431 1HG2 THR 54 1HG2 THR 54 49.015 56.403 54.142 432 2HG2 THR 54 2HG2 THR 54 47.666 55.267 53.737 433 3HG2 THR 54 3HG2 THR 54 48.659 54.909 55.149 434 H ASN 55 H ASN 55 45.834 56.114 52.163 435 HA ASN 55 HA ASN 55 42.966 55.790 52.868 436 1HB ASN 55 2HB ASN 55 44.242 56.479 50.569 437 2HB ASN 55 1HB ASN 55 43.686 54.715 50.224 438 1HD2 ASN 55 2HD2 ASN 55 41.474 54.849 51.879 439 2HD2 ASN 55 1HD2 ASN 55 40.265 56.122 51.135 440 H SER 56 H SER 56 45.177 54.126 54.024 441 HA SER 56 HA SER 56 45.353 51.436 53.206 442 1HB SER 56 2HB SER 56 45.254 50.921 55.731 443 2HB SER 56 1HB SER 56 46.569 52.149 55.178 444 HG SER 56 HG SER 56 44.011 52.828 56.098 445 H THR 57 H THR 57 44.154 49.845 53.061 446 HA THR 57 HA THR 57 41.242 50.088 53.149 447 HB THR 57 HB THR 57 43.041 47.623 53.097 448 HG1 THR 57 1HG THR 57 43.532 48.284 51.226 449 1HG2 THR 57 1HG2 THR 57 40.069 48.099 52.629 450 2HG2 THR 57 2HG2 THR 57 40.879 46.709 53.465 451 3HG2 THR 57 3HG2 THR 57 40.969 46.791 51.677 452 H PHE 58 H PHE 58 43.744 48.588 54.865 453 HA PHE 58 HA PHE 58 42.303 47.313 57.051 454 1HB PHE 58 2HB PHE 58 45.001 47.411 56.279 455 2HB PHE 58 1HB PHE 58 44.997 48.470 57.762 456 HD1 PHE 58 HD1 PHE 58 43.372 45.229 56.651 457 HD2 PHE 58 HD2 PHE 58 45.458 47.333 59.753 458 HE1 PHE 58 HE1 PHE 58 43.313 43.145 58.082 459 HE2 PHE 58 HE2 PHE 58 45.371 45.306 61.126 460 HZ PHE 58 HZ PHE 58 44.305 43.203 60.307 461 H ARG 59 H ARG 59 43.948 50.487 57.061 462 HA ARG 59 HA ARG 59 41.858 51.352 59.085 463 1HB ARG 59 2HB ARG 59 44.041 49.947 60.115 464 2HB ARG 59 1HB ARG 59 44.448 51.713 60.419 465 1HG ARG 59 2HG ARG 59 43.133 51.454 62.226 466 2HG ARG 59 1HG ARG 59 41.737 51.537 61.023 467 1HD ARG 59 2HD ARG 59 42.635 48.817 61.071 468 2HD ARG 59 1HD ARG 59 42.571 49.395 62.792 469 HE ARG 59 HE ARG 59 40.261 50.199 61.254 470 1HH1 ARG 59 1HH1 ARG 59 41.819 47.568 63.182 471 2HH1 ARG 59 2HH1 ARG 59 40.291 46.878 63.652 472 1HH2 ARG 59 2HH2 ARG 59 38.245 49.209 61.950 473 2HH2 ARG 59 1HH2 ARG 59 38.214 47.798 62.959 474 H ASN 60 H ASN 60 41.376 53.029 57.980 475 HA ASN 60 HA ASN 60 43.094 54.921 56.731 476 1HB ASN 60 2HB ASN 60 40.557 55.514 58.471 477 2HB ASN 60 1HB ASN 60 41.226 56.548 57.047 478 1HD2 ASN 60 2HD2 ASN 60 38.612 55.366 57.628 479 2HD2 ASN 60 1HD2 ASN 60 38.299 54.291 56.234 480 H TYR 61 H TYR 61 44.166 56.485 57.197 481 HA TYR 61 HA TYR 61 44.217 57.355 60.024 482 1HB TYR 61 2HB TYR 61 45.778 55.365 59.667 483 2HB TYR 61 1HB TYR 61 46.844 56.477 58.633 484 HD1 TYR 61 HD1 TYR 61 44.889 57.273 61.823 485 HD2 TYR 61 HD2 TYR 61 48.745 56.661 59.983 486 HE1 TYR 61 HE1 TYR 61 45.975 58.063 63.818 487 HE2 TYR 61 HE2 TYR 61 49.855 57.460 61.998 488 HH TYR 61 HH TYR 61 49.234 57.655 64.421 489 H ASP 62 H ASP 62 45.207 59.296 60.484 490 HA ASP 62 HA ASP 62 46.374 60.839 58.260 491 1HB ASP 62 2HB ASP 62 44.293 61.692 57.752 492 2HB ASP 62 1HB ASP 62 43.587 61.216 59.412 493 H LEU 63 H LEU 63 47.508 62.751 58.967 494 HA LEU 63 HA LEU 63 47.945 62.634 61.955 495 1HB LEU 63 2HB LEU 63 49.794 62.174 59.764 496 2HB LEU 63 1HB LEU 63 50.091 63.892 60.256 497 HG LEU 63 HG LEU 63 51.526 61.923 61.414 498 1HD1 LEU 63 1HD1 LEU 63 52.045 63.372 63.082 499 2HD1 LEU 63 2HD1 LEU 63 50.303 63.836 63.345 500 3HD1 LEU 63 3HD1 LEU 63 51.302 64.509 61.950 501 1HD2 LEU 63 1HD2 LEU 63 50.573 60.766 63.182 502 2HD2 LEU 63 2HD2 LEU 63 49.178 60.782 62.012 503 3HD2 LEU 63 3HD2 LEU 63 49.216 61.996 63.342 504 H ASP 64 H ASP 64 46.499 64.553 59.813 505 HA ASP 64 HA ASP 64 46.982 67.033 59.567 506 1HB ASP 64 2HB ASP 64 44.712 66.496 59.639 507 2HB ASP 64 1HB ASP 64 44.810 65.743 61.336 508 H PHE 65 H PHE 65 48.756 67.986 60.339 509 HA PHE 65 HA PHE 65 48.583 69.049 63.129 510 1HB PHE 65 2HB PHE 65 49.849 66.892 63.333 511 2HB PHE 65 1HB PHE 65 50.775 67.387 61.841 512 HD1 PHE 65 HD1 PHE 65 49.929 69.355 65.004 513 HD2 PHE 65 HD2 PHE 65 52.880 67.535 62.433 514 HE1 PHE 65 HE1 PHE 65 51.683 70.331 66.334 515 HE2 PHE 65 HE2 PHE 65 54.666 68.501 63.751 516 HZ PHE 65 HZ PHE 65 54.110 69.932 65.737 517 H THR 66 H THR 66 49.713 70.742 63.449 518 HA THR 66 HA THR 66 50.400 72.575 61.273 519 HB THR 66 HB THR 66 51.258 73.025 64.109 520 HG1 THR 66 1HG THR 66 48.555 72.701 63.417 521 1HG2 THR 66 1HG2 THR 66 49.971 74.569 61.834 522 2HG2 THR 66 2HG2 THR 66 50.760 75.254 63.317 523 3HG2 THR 66 3HG2 THR 66 49.032 74.817 63.356 524 H VAL 67 H VAL 67 52.539 73.996 61.997 525 HA VAL 67 HA VAL 67 54.701 71.831 61.831 526 HB VAL 67 HB VAL 67 54.546 74.681 60.776 527 1HG1 VAL 67 1HG1 VAL 67 56.749 72.575 60.301 528 2HG1 VAL 67 2HG1 VAL 67 56.935 73.891 61.565 529 3HG1 VAL 67 3HG1 VAL 67 56.728 74.357 59.828 530 1HG2 VAL 67 1HG2 VAL 67 55.274 72.320 59.013 531 2HG2 VAL 67 2HG2 VAL 67 54.115 73.637 58.646 532 3HG2 VAL 67 3HG2 VAL 67 53.658 72.198 59.711 533 H GLY 68 H GLY 68 55.019 71.544 63.843 534 1HA GLY 68 1HA GLY 68 56.576 71.796 65.609 535 2HA GLY 68 2HA GLY 68 56.910 73.518 65.069 536 H VAL 69 H VAL 69 53.609 72.956 65.285 537 HA VAL 69 HA VAL 69 53.566 74.056 68.109 538 HB VAL 69 HB VAL 69 51.523 74.180 65.750 539 1HG1 VAL 69 1HG1 VAL 69 51.747 76.288 68.013 540 2HG1 VAL 69 2HG1 VAL 69 50.708 74.868 68.148 541 3HG1 VAL 69 3HG1 VAL 69 50.490 76.037 66.737 542 1HG2 VAL 69 1HG2 VAL 69 52.586 76.646 65.659 543 2HG2 VAL 69 2HG2 VAL 69 53.063 75.330 64.567 544 3HG2 VAL 69 3HG2 VAL 69 54.101 75.688 66.040 545 H GLU 70 H GLU 70 53.976 71.923 68.401 546 HA GLU 70 HA GLU 70 52.788 69.665 67.730 547 1HB GLU 70 2HB GLU 70 53.021 68.712 69.938 548 2HB GLU 70 1HB GLU 70 54.452 69.826 69.541 549 1HG GLU 70 2HG GLU 70 53.667 71.609 70.833 550 2HG GLU 70 1HG GLU 70 52.108 70.690 71.291 551 H PHE 71 H PHE 71 51.380 68.335 68.035 552 HA PHE 71 HA PHE 71 48.744 69.343 69.187 553 1HB PHE 71 2HB PHE 71 48.973 69.824 66.708 554 2HB PHE 71 1HB PHE 71 48.858 68.054 66.413 555 HD1 PHE 71 HD1 PHE 71 46.747 68.018 69.035 556 HD2 PHE 71 HD2 PHE 71 47.030 69.924 65.273 557 HE1 PHE 71 HE1 PHE 71 44.345 68.193 69.009 558 HE2 PHE 71 HE2 PHE 71 44.492 70.138 65.198 559 HZ PHE 71 HZ PHE 71 43.175 69.254 67.090 560 H ASP 72 H ASP 72 48.445 67.817 70.719 561 HA ASP 72 HA ASP 72 49.109 65.005 70.348 562 1HB ASP 72 2HB ASP 72 47.321 64.758 72.354 563 2HB ASP 72 1HB ASP 72 48.966 65.581 72.641 564 H GLU 73 H GLU 73 48.286 63.954 68.791 565 HA GLU 73 HA GLU 73 45.391 64.097 67.946 566 1HB GLU 73 2HB GLU 73 47.961 62.675 67.029 567 2HB GLU 73 1HB GLU 73 46.370 62.304 66.271 568 1HG GLU 73 2HG GLU 73 47.384 65.162 66.654 569 2HG GLU 73 1HG GLU 73 47.742 64.165 65.109 570 H HIS 74 H HIS 74 44.596 61.911 67.252 571 HA HIS 74 HA HIS 74 44.909 59.950 69.491 572 1HB HIS 74 2HB HIS 74 42.514 61.437 68.597 573 2HB HIS 74 1HB HIS 74 42.344 59.637 68.250 574 HD1 HIS 74 HD1 HIS 74 41.399 61.713 70.944 575 HD2 HIS 74 HD2 HIS 74 43.841 58.318 70.576 576 HE1 HIS 74 HE1 HIS 74 41.545 60.612 73.271 577 HE2 HIS 74 HE2 HIS 74 43.035 58.526 73.006 578 H THR 75 H THR 75 45.272 57.990 68.968 579 HA THR 75 HA THR 75 45.386 57.171 66.121 580 HB THR 75 HB THR 75 46.594 55.174 67.477 581 HG1 THR 75 1HG THR 75 47.640 56.492 69.262 582 1HG2 THR 75 1HG2 THR 75 48.409 57.588 67.749 583 2HG2 THR 75 2HG2 THR 75 47.232 57.923 66.405 584 3HG2 THR 75 3HG2 THR 75 48.338 56.518 66.289 585 H LYS 76 H LYS 76 43.203 57.291 68.345 586 HA LYS 76 HA LYS 76 42.306 54.669 69.066 587 1HB LYS 76 2HB LYS 76 41.032 57.351 68.842 588 2HB LYS 76 1HB LYS 76 39.900 55.904 68.715 589 1HG LYS 76 2HG LYS 76 41.259 54.950 70.717 590 2HG LYS 76 1HG LYS 76 41.680 56.739 70.999 591 1HD LYS 76 2HD LYS 76 39.485 57.422 71.281 592 2HD LYS 76 1HD LYS 76 38.832 55.891 70.486 593 1HE LYS 76 2HE LYS 76 39.473 54.524 72.451 594 2HE LYS 76 1HE LYS 76 40.301 55.992 73.172 595 1HZ LYS 76 1HZ LYS 76 38.177 57.049 73.267 596 2HZ LYS 76 2HZ LYS 76 38.255 55.671 74.240 597 3HZ LYS 76 3HZ LYS 76 37.383 55.643 72.826 598 H GLY 77 H GLY 77 42.480 53.170 67.805 599 1HA GLY 77 1HA GLY 77 40.607 51.974 66.515 600 2HA GLY 77 2HA GLY 77 40.916 53.175 65.196 601 H LEU 78 H LEU 78 43.653 53.304 66.196 602 HA LEU 78 HA LEU 78 44.758 50.988 64.567 603 1HB LEU 78 2HB LEU 78 45.441 53.824 64.888 604 2HB LEU 78 1HB LEU 78 46.897 52.738 65.113 605 HG LEU 78 HG LEU 78 45.013 52.119 62.822 606 1HD1 LEU 78 1HD1 LEU 78 46.852 54.304 62.095 607 2HD1 LEU 78 2HD1 LEU 78 45.474 54.779 63.174 608 3HD1 LEU 78 3HD1 LEU 78 45.144 53.970 61.583 609 1HD2 LEU 78 1HD2 LEU 78 47.613 52.388 61.812 610 2HD2 LEU 78 2HD2 LEU 78 47.171 50.897 62.796 611 3HD2 LEU 78 3HD2 LEU 78 48.032 52.281 63.556 612 H ASP 79 H ASP 79 44.027 51.547 67.609 613 HA ASP 79 HA ASP 79 44.540 50.527 69.533 614 1HB ASP 79 2HB ASP 79 45.593 48.929 67.613 615 2HB ASP 79 1HB ASP 79 47.087 49.202 68.775 616 H GLY 80 H GLY 80 45.792 53.095 68.535 617 1HA GLY 80 1HA GLY 80 48.345 53.126 70.052 618 2HA GLY 80 2HA GLY 80 47.696 54.434 68.939 619 H ARG 81 H ARG 81 45.412 54.848 69.806 620 HA ARG 81 HA ARG 81 44.027 55.996 71.233 621 1HB ARG 81 2HB ARG 81 45.384 53.939 72.936 622 2HB ARG 81 1HB ARG 81 44.832 55.417 73.898 623 1HG ARG 81 2HG ARG 81 43.030 53.645 73.710 624 2HG ARG 81 1HG ARG 81 42.593 55.173 72.886 625 1HD ARG 81 2HD ARG 81 42.020 53.287 71.413 626 2HD ARG 81 1HD ARG 81 43.436 54.175 70.680 627 HE ARG 81 HE ARG 81 44.820 52.416 71.010 628 1HH1 ARG 81 1HH2 ARG 81 41.828 51.905 72.853 629 2HH1 ARG 81 2HH2 ARG 81 42.232 50.223 73.275 630 1HH2 ARG 81 1HH1 ARG 81 45.330 50.191 71.591 631 2HH2 ARG 81 2HH1 ARG 81 44.229 49.243 72.541 632 H ASN 82 H ASN 82 47.542 56.655 71.447 633 HA ASN 82 HA ASN 82 46.818 59.344 71.993 634 1HB ASN 82 2HB ASN 82 48.297 59.337 74.287 635 2HB ASN 82 1HB ASN 82 46.630 58.546 74.404 636 1HD2 ASN 82 2HD2 ASN 82 49.988 58.114 74.389 637 2HD2 ASN 82 1HD2 ASN 82 50.024 56.392 74.807 638 H VAL 83 H VAL 83 48.203 60.702 71.503 639 HA VAL 83 HA VAL 83 51.129 60.208 71.416 640 HB VAL 83 HB VAL 83 50.983 60.852 68.845 641 1HG1 VAL 83 1HG1 VAL 83 50.560 58.001 68.766 642 2HG1 VAL 83 2HG1 VAL 83 51.384 58.314 70.342 643 3HG1 VAL 83 3HG1 VAL 83 52.148 58.914 68.815 644 1HG2 VAL 83 1HG2 VAL 83 48.637 58.870 69.286 645 2HG2 VAL 83 2HG2 VAL 83 49.175 59.516 67.709 646 3HG2 VAL 83 3HG2 VAL 83 48.333 60.648 68.911 647 H LYS 84 H LYS 84 52.336 61.847 70.658 648 HA LYS 84 HA LYS 84 51.007 64.548 70.469 649 1HB LYS 84 2HB LYS 84 53.510 64.104 72.141 650 2HB LYS 84 1HB LYS 84 52.472 65.572 71.911 651 1HG LYS 84 2HG LYS 84 51.426 64.762 73.857 652 2HG LYS 84 1HG LYS 84 50.611 63.639 72.603 653 1HD LYS 84 2HD LYS 84 52.913 62.251 73.042 654 2HD LYS 84 1HD LYS 84 52.827 63.045 74.662 655 1HE LYS 84 2HE LYS 84 50.131 62.194 74.010 656 2HE LYS 84 1HE LYS 84 51.226 60.836 73.516 657 1HZ LYS 84 1HZ LYS 84 52.360 61.348 75.801 658 2HZ LYS 84 2HZ LYS 84 50.975 60.428 75.769 659 3HZ LYS 84 3HZ LYS 84 50.891 62.040 76.210 660 H THR 85 H THR 85 51.493 64.932 68.464 661 HA THR 85 HA THR 85 54.203 64.355 67.343 662 HB THR 85 HB THR 85 51.574 64.366 66.387 663 HG1 THR 85 1HG THR 85 52.549 63.104 65.144 664 1HG2 THR 85 1HG2 THR 85 52.225 66.905 65.678 665 2HG2 THR 85 2HG2 THR 85 52.029 65.783 64.254 666 3HG2 THR 85 3HG2 THR 85 53.678 66.212 64.905 667 H LEU 86 H LEU 86 55.706 65.561 66.779 668 HA LEU 86 HA LEU 86 55.345 68.544 66.888 669 1HB LEU 86 2HB LEU 86 56.293 67.644 69.111 670 2HB LEU 86 1HB LEU 86 57.727 67.032 68.146 671 HG LEU 86 HG LEU 86 57.138 69.992 67.855 672 1HD1 LEU 86 1HD1 LEU 86 58.267 70.520 69.863 673 2HD1 LEU 86 2HD1 LEU 86 58.943 68.867 70.061 674 3HD1 LEU 86 3HD1 LEU 86 57.185 69.084 70.372 675 1HD2 LEU 86 1HD2 LEU 86 58.923 68.705 66.549 676 2HD2 LEU 86 2HD2 LEU 86 59.550 68.087 68.166 677 3HD2 LEU 86 3HD2 LEU 86 59.660 69.853 67.739 678 H VAL 87 H VAL 87 56.295 69.570 65.363 679 HA VAL 87 HA VAL 87 58.184 68.083 63.635 680 HB VAL 87 HB VAL 87 55.769 69.925 63.056 681 1HG1 VAL 87 1HG1 VAL 87 56.708 70.632 60.839 682 2HG1 VAL 87 2HG1 VAL 87 58.311 70.045 61.346 683 3HG1 VAL 87 3HG1 VAL 87 57.526 71.400 62.273 684 1HG2 VAL 87 1HG2 VAL 87 56.640 67.268 62.420 685 2HG2 VAL 87 2HG2 VAL 87 56.748 68.232 60.878 686 3HG2 VAL 87 3HG2 VAL 87 55.193 68.134 61.802 687 H THR 88 H THR 88 59.705 69.224 62.510 688 HA THR 88 HA THR 88 60.494 71.918 63.247 689 HB THR 88 HB THR 88 62.182 69.508 64.109 690 HG1 THR 88 1HG THR 88 61.137 71.142 66.020 691 1HG2 THR 88 1HG2 THR 88 62.356 72.535 64.062 692 2HG2 THR 88 2HG2 THR 88 63.785 71.454 64.060 693 3HG2 THR 88 3HG2 THR 88 62.967 71.783 65.637 694 H TRP 89 H TRP 89 60.580 72.345 61.181 695 HA TRP 89 HA TRP 89 61.523 70.919 58.848 696 1HB TRP 89 2HB TRP 89 61.432 73.912 59.702 697 2HB TRP 89 1HB TRP 89 62.143 73.407 58.120 698 HD1 TRP 89 HD1 TRP 89 58.791 73.332 60.015 699 HE1 TRP 89 HE1 TRP 89 57.013 72.912 58.154 700 HE3 TRP 89 HE3 TRP 89 61.904 72.581 56.261 701 HZ2 TRP 89 HZ2 TRP 89 57.107 72.276 55.209 702 HZ3 TRP 89 HZ3 TRP 89 61.215 72.092 54.052 703 HH2 TRP 89 HH2 TRP 89 58.832 71.940 53.527 704 H GLU 90 H GLU 90 63.318 70.243 58.123 705 HA GLU 90 HA GLU 90 65.696 70.917 59.817 706 1HB GLU 90 2HB GLU 90 64.676 68.581 58.792 707 2HB GLU 90 1HB GLU 90 65.825 69.076 57.492 708 1HG GLU 90 2HG GLU 90 67.265 69.484 60.017 709 2HG GLU 90 1HG GLU 90 66.311 67.874 60.124 710 H GLY 91 H GLY 91 64.457 71.173 56.511 711 1HA GLY 91 1HA GLY 91 65.985 73.436 55.787 712 2HA GLY 91 2HA GLY 91 66.894 71.955 55.175 713 H ASN 92 H ASN 92 65.628 70.393 54.233 714 HA ASN 92 HA ASN 92 63.314 71.390 52.566 715 1HB ASN 92 2HB ASN 92 64.922 69.061 51.480 716 2HB ASN 92 1HB ASN 92 64.087 70.497 50.636 717 1HD2 ASN 92 1HD2 ASN 92 66.819 69.120 50.716 718 2HD2 ASN 92 2HD2 ASN 92 67.925 70.467 50.852 719 H THR 93 H THR 93 63.827 69.953 55.153 720 HA THR 93 HA THR 93 62.106 67.497 54.834 721 HB THR 93 HB THR 93 64.059 67.512 57.128 722 HG1 THR 93 1HG THR 93 64.841 68.262 54.828 723 1HG2 THR 93 1HG2 THR 93 62.873 65.359 56.772 724 2HG2 THR 93 2HG2 THR 93 64.376 65.206 55.789 725 3HG2 THR 93 3HG2 THR 93 62.872 65.573 54.953 726 H LEU 94 H LEU 94 61.891 66.965 57.470 727 HA LEU 94 HA LEU 94 60.861 68.906 59.220 728 1HB LEU 94 2HB LEU 94 58.315 68.533 58.946 729 2HB LEU 94 1HB LEU 94 59.090 69.549 57.689 730 HG LEU 94 HG LEU 94 59.506 66.893 56.787 731 1HD1 LEU 94 1HD1 LEU 94 56.903 67.286 58.179 732 2HD1 LEU 94 2HD1 LEU 94 57.602 65.794 57.534 733 3HD1 LEU 94 3HD1 LEU 94 56.639 66.866 56.390 734 1HD2 LEU 94 1HD2 LEU 94 59.197 67.964 54.893 735 2HD2 LEU 94 2HD2 LEU 94 58.645 69.434 55.785 736 3HD2 LEU 94 3HD2 LEU 94 57.442 68.178 55.292 737 H VAL 95 H VAL 95 61.629 67.703 60.680 738 HA VAL 95 HA VAL 95 61.197 64.843 60.940 739 HB VAL 95 HB VAL 95 62.081 67.069 62.926 740 1HG1 VAL 95 1HG1 VAL 95 62.377 63.985 63.020 741 2HG1 VAL 95 2HG1 VAL 95 61.653 65.144 64.195 742 3HG1 VAL 95 3HG1 VAL 95 63.479 65.075 63.846 743 1HG2 VAL 95 1HG2 VAL 95 63.322 66.431 60.512 744 2HG2 VAL 95 2HG2 VAL 95 64.029 65.145 61.587 745 3HG2 VAL 95 3HG2 VAL 95 64.295 66.900 62.008 746 H CYS 96 H CYS 96 59.044 64.504 61.136 747 HA CYS 96 HA CYS 96 57.432 65.746 63.360 748 1HB CYS 96 2HB CYS 96 56.215 63.571 61.680 749 2HB CYS 96 1HB CYS 96 55.410 65.037 62.271 750 HG CYS 96 HG CYS 96 56.855 64.376 59.477 751 H VAL 97 H VAL 97 57.905 64.815 65.137 752 HA VAL 97 HA VAL 97 58.098 61.824 65.345 753 HB VAL 97 HB VAL 97 60.016 63.631 65.682 754 1HG1 VAL 97 1HG1 VAL 97 58.700 64.655 67.667 755 2HG1 VAL 97 2HG1 VAL 97 60.415 64.183 68.059 756 3HG1 VAL 97 3HG1 VAL 97 59.027 63.118 68.560 757 1HG2 VAL 97 1HG2 VAL 97 61.032 61.694 65.987 758 2HG2 VAL 97 2HG2 VAL 97 59.513 60.870 66.537 759 3HG2 VAL 97 3HG2 VAL 97 60.579 61.745 67.746 760 H GLN 98 H GLN 98 56.991 60.833 66.795 761 HA GLN 98 HA GLN 98 54.909 62.191 68.508 762 1HB GLN 98 2HB GLN 98 55.289 59.415 67.307 763 2HB GLN 98 1HB GLN 98 53.870 59.793 68.439 764 1HG GLN 98 2HG GLN 98 54.070 61.848 66.410 765 2HG GLN 98 1HG GLN 98 54.202 60.227 65.556 766 1HE2 GLN 98 2HE2 GLN 98 52.659 58.617 66.339 767 2HE2 GLN 98 1HE2 GLN 98 50.955 59.125 66.518 768 H LYS 99 H LYS 99 54.464 61.406 70.517 769 HA LYS 99 HA LYS 99 56.585 59.696 71.856 770 1HB LYS 99 2HB LYS 99 55.728 62.458 72.830 771 2HB LYS 99 1HB LYS 99 56.813 61.342 73.707 772 1HG LYS 99 2HG LYS 99 58.377 62.735 72.492 773 2HG LYS 99 1HG LYS 99 58.119 61.431 71.277 774 1HD LYS 99 2HD LYS 99 57.241 62.887 69.803 775 2HD LYS 99 1HD LYS 99 56.027 63.449 71.069 776 1HE LYS 99 2HE LYS 99 58.922 64.454 71.153 777 2HE LYS 99 1HE LYS 99 57.697 65.217 70.042 778 1HZ LYS 99 1HZ LYS 99 57.471 66.414 71.950 779 2HZ LYS 99 2HZ LYS 99 57.758 65.113 72.984 780 3HZ LYS 99 3HZ LYS 99 56.302 65.271 72.177 781 H GLY 100 H GLY 100 54.070 58.919 71.242 782 1HA GLY 100 1HA GLY 100 52.513 59.386 73.799 783 2HA GLY 100 2HA GLY 100 51.775 58.561 72.360 784 H GLU 101 H GLU 101 53.577 56.894 71.729 785 HA GLU 101 HA GLU 101 54.379 55.203 74.039 786 1HB GLU 101 2HB GLU 101 52.538 54.193 71.669 787 2HB GLU 101 1HB GLU 101 53.334 53.154 72.919 788 1HG GLU 101 2HG GLU 101 52.042 54.311 74.726 789 2HG GLU 101 1HG GLU 101 51.204 55.301 73.417 790 H LYS 102 H LYS 102 55.565 56.831 71.936 791 HA LYS 102 HA LYS 102 57.253 54.711 70.637 792 1HB LYS 102 2HB LYS 102 57.618 56.861 68.991 793 2HB LYS 102 1HB LYS 102 56.375 55.555 68.679 794 1HG LYS 102 2HG LYS 102 55.542 57.997 70.369 795 2HG LYS 102 1HG LYS 102 55.736 58.113 68.599 796 1HD LYS 102 2HD LYS 102 54.042 55.919 70.015 797 2HD LYS 102 1HD LYS 102 53.419 57.478 69.369 798 1HE LYS 102 2HE LYS 102 53.358 56.729 67.212 799 2HE LYS 102 1HE LYS 102 55.040 56.109 67.358 800 1HZ LYS 102 1HZ LYS 102 53.650 54.194 67.060 801 2HZ LYS 102 2HZ LYS 102 52.394 54.832 67.898 802 3HZ LYS 102 3HZ LYS 102 53.712 54.279 68.733 803 H GLU 103 H GLU 103 57.339 58.174 70.933 804 HA GLU 103 HA GLU 103 58.659 59.708 71.897 805 1HB GLU 103 2HB GLU 103 60.300 57.351 73.077 806 2HB GLU 103 1HB GLU 103 60.386 59.141 73.468 807 1HG GLU 103 2HG GLU 103 58.170 59.281 74.209 808 2HG GLU 103 1HG GLU 103 57.805 57.553 73.633 809 H ASN 104 H ASN 104 59.244 58.167 69.370 810 HA ASN 104 HA ASN 104 61.277 59.833 68.414 811 1HB ASN 104 2HB ASN 104 62.585 58.062 69.977 812 2HB ASN 104 1HB ASN 104 62.399 56.947 68.524 813 1HD2 ASN 104 1HD2 ASN 104 63.413 57.226 66.852 814 2HD2 ASN 104 2HD2 ASN 104 64.702 58.626 66.596 815 H ARG 105 H ARG 105 58.723 59.233 67.533 816 HA ARG 105 HA ARG 105 59.235 57.323 65.281 817 1HB ARG 105 2HB ARG 105 57.080 56.918 66.779 818 2HB ARG 105 1HB ARG 105 56.516 58.488 66.104 819 1HG ARG 105 2HG ARG 105 57.306 57.298 63.780 820 2HG ARG 105 1HG ARG 105 56.642 55.874 64.772 821 1HD ARG 105 2HD ARG 105 54.678 57.512 65.407 822 2HD ARG 105 1HD ARG 105 55.149 58.393 63.906 823 HE ARG 105 HE ARG 105 55.191 55.674 63.241 824 1HH1 ARG 105 1HH1 ARG 105 52.796 58.030 64.491 825 2HH1 ARG 105 2HH1 ARG 105 51.409 57.227 63.756 826 1HH2 ARG 105 1HH2 ARG 105 53.215 54.590 62.243 827 2HH2 ARG 105 2HH2 ARG 105 51.666 55.372 62.560 828 H GLY 106 H GLY 106 60.683 58.925 64.981 829 1HA GLY 106 1HA GLY 106 59.567 61.332 63.530 830 2HA GLY 106 2HA GLY 106 61.317 60.940 63.839 831 H TRP 107 H TRP 107 59.157 61.447 61.628 832 HA TRP 107 HA TRP 107 60.439 59.601 59.693 833 1HB TRP 107 2HB TRP 107 58.268 60.959 58.296 834 2HB TRP 107 1HB TRP 107 58.449 59.227 58.720 835 HD1 TRP 107 HD1 TRP 107 57.827 59.138 61.840 836 HE1 TRP 107 HE1 TRP 107 55.734 60.075 62.912 837 HE3 TRP 107 HE3 TRP 107 56.620 62.240 58.155 838 HZ2 TRP 107 HZ2 TRP 107 53.825 61.934 62.215 839 HZ3 TRP 107 HZ3 TRP 107 54.631 63.608 58.383 840 HH2 TRP 107 HH2 TRP 107 53.258 63.432 60.397 841 H LYS 108 H LYS 108 62.074 60.283 58.857 842 HA LYS 108 HA LYS 108 62.427 63.157 58.043 843 1HB LYS 108 2HB LYS 108 64.116 60.570 57.676 844 2HB LYS 108 1HB LYS 108 64.795 62.268 57.417 845 1HG LYS 108 2HG LYS 108 63.668 61.237 60.069 846 2HG LYS 108 1HG LYS 108 65.427 61.192 59.622 847 1HD LYS 108 2HD LYS 108 64.877 63.823 58.980 848 2HD LYS 108 1HD LYS 108 63.718 63.590 60.340 849 1HE LYS 108 2HE LYS 108 65.511 63.891 61.743 850 2HE LYS 108 1HE LYS 108 66.100 62.265 61.186 851 1HZ LYS 108 1HZ LYS 108 67.021 63.681 59.211 852 2HZ LYS 108 2HZ LYS 108 67.864 63.645 60.620 853 3HZ LYS 108 3HZ LYS 108 66.933 64.993 60.219 854 H GLN 109 H GLN 109 60.520 62.707 56.951 855 HA GLN 109 HA GLN 109 60.605 61.306 54.381 856 1HB GLN 109 2HB GLN 109 58.644 61.858 55.746 857 2HB GLN 109 1HB GLN 109 58.702 63.598 55.172 858 1HG GLN 109 2HG GLN 109 58.265 62.763 52.834 859 2HG GLN 109 1HG GLN 109 58.693 61.058 53.407 860 1HE2 GLN 109 1HE2 GLN 109 57.411 60.091 54.741 861 2HE2 GLN 109 2HE2 GLN 109 55.581 60.482 54.940 862 H TRP 110 H TRP 110 62.914 62.567 53.938 863 HA TRP 110 HA TRP 110 62.320 65.339 53.058 864 1HB TRP 110 2HB TRP 110 64.486 65.697 53.266 865 2HB TRP 110 1HB TRP 110 64.456 64.081 54.170 866 HD1 TRP 110 HD1 TRP 110 65.442 65.678 50.897 867 HE1 TRP 110 HE1 TRP 110 66.990 63.918 49.629 868 HE3 TRP 110 HE3 TRP 110 64.778 61.976 54.036 869 HZ2 TRP 110 HZ2 TRP 110 67.681 61.213 50.176 870 HZ3 TRP 110 HZ3 TRP 110 65.835 59.789 53.738 871 HH2 TRP 110 HH2 TRP 110 67.237 59.411 51.891 872 H VAL 111 H VAL 111 61.119 65.540 51.403 873 HA VAL 111 HA VAL 111 60.724 63.689 49.314 874 HB VAL 111 HB VAL 111 60.324 66.696 49.644 875 1HG1 VAL 111 1HG1 VAL 111 58.784 66.555 47.554 876 2HG1 VAL 111 2HG1 VAL 111 59.504 64.887 47.302 877 3HG1 VAL 111 3HG1 VAL 111 60.526 66.381 47.283 878 1HG2 VAL 111 1HG2 VAL 111 58.182 64.472 49.494 879 2HG2 VAL 111 2HG2 VAL 111 58.143 66.062 50.375 880 3HG2 VAL 111 3HG2 VAL 111 59.207 64.762 51.016 881 H GLU 112 H GLU 112 61.324 63.303 47.475 882 HA GLU 112 HA GLU 112 63.219 65.042 45.999 883 1HB GLU 112 2HB GLU 112 63.799 62.254 46.938 884 2HB GLU 112 1HB GLU 112 64.508 62.823 45.349 885 1HG GLU 112 2HG GLU 112 64.687 64.203 48.095 886 2HG GLU 112 1HG GLU 112 66.056 63.198 47.279 887 H GLY 113 H GLY 113 60.792 65.116 45.312 888 1HA GLY 113 1HA GLY 113 59.146 64.597 43.684 889 2HA GLY 113 2HA GLY 113 60.565 64.202 42.623 890 H ASP 114 H ASP 114 59.785 62.523 41.639 891 HA ASP 114 HA ASP 114 58.006 60.572 42.315 892 1HB ASP 114 2HB ASP 114 58.784 59.551 40.346 893 2HB ASP 114 1HB ASP 114 60.152 60.828 40.340 894 H LYS 115 H LYS 115 61.302 60.746 43.530 895 HA LYS 115 HA LYS 115 60.974 58.109 44.929 896 1HB LYS 115 2HB LYS 115 63.451 59.826 44.061 897 2HB LYS 115 1HB LYS 115 63.515 58.716 45.481 898 1HG LYS 115 2HG LYS 115 62.544 57.756 42.731 899 2HG LYS 115 1HG LYS 115 64.281 57.718 43.308 900 1HD LYS 115 2HD LYS 115 62.989 56.750 45.513 901 2HD LYS 115 1HD LYS 115 61.693 56.331 44.300 902 1HE LYS 115 2HE LYS 115 64.275 55.077 45.000 903 2HE LYS 115 1HE LYS 115 62.974 54.399 43.950 904 1HZ LYS 115 1HZ LYS 115 64.902 54.540 42.657 905 2HZ LYS 115 2HZ LYS 115 65.311 56.132 43.121 906 3HZ LYS 115 3HZ LYS 115 64.027 55.839 42.127 907 H LEU 116 H LEU 116 61.216 57.882 47.001 908 HA LEU 116 HA LEU 116 61.616 60.329 48.585 909 1HB LEU 116 2HB LEU 116 59.052 59.683 47.794 910 2HB LEU 116 1HB LEU 116 59.102 59.008 49.503 911 HG LEU 116 HG LEU 116 59.790 61.897 48.728 912 1HD1 LEU 116 1HD1 LEU 116 57.734 62.516 49.904 913 2HD1 LEU 116 2HD1 LEU 116 57.798 60.996 50.880 914 3HD1 LEU 116 3HD1 LEU 116 57.293 60.977 49.109 915 1HD2 LEU 116 1HD2 LEU 116 61.322 61.605 50.292 916 2HD2 LEU 116 2HD2 LEU 116 60.465 60.189 51.119 917 3HD2 LEU 116 3HD2 LEU 116 59.911 61.889 51.402 918 H TYR 117 H TYR 117 62.888 59.941 50.076 919 HA TYR 117 HA TYR 117 62.856 57.140 51.166 920 1HB TYR 117 2HB TYR 117 64.974 59.304 50.695 921 2HB TYR 117 1HB TYR 117 65.246 58.093 52.028 922 HD1 TYR 117 HD1 TYR 117 66.672 58.601 49.008 923 HD2 TYR 117 HD2 TYR 117 64.009 55.608 50.621 924 HE1 TYR 117 HE1 TYR 117 67.403 56.985 47.361 925 HE2 TYR 117 HE2 TYR 117 64.773 54.033 48.975 926 HH TYR 117 HH TYR 117 67.033 54.978 46.359 927 H LEU 118 H LEU 118 61.033 57.725 52.144 928 HA LEU 118 HA LEU 118 61.352 59.482 54.544 929 1HB LEU 118 2HB LEU 118 59.160 59.195 53.701 930 2HB LEU 118 1HB LEU 118 59.271 57.398 53.546 931 HG LEU 118 HG LEU 118 59.504 57.331 56.184 932 1HD1 LEU 118 1HD1 LEU 118 59.760 59.273 57.246 933 2HD1 LEU 118 2HD1 LEU 118 58.177 59.851 56.687 934 3HD1 LEU 118 3HD1 LEU 118 59.711 60.195 55.731 935 1HD2 LEU 118 1HD2 LEU 118 57.309 56.733 55.911 936 2HD2 LEU 118 2HD2 LEU 118 57.101 57.956 54.542 937 3HD2 LEU 118 3HD2 LEU 118 56.961 58.400 56.344 938 H GLU 119 H GLU 119 62.682 59.072 56.197 939 HA GLU 119 HA GLU 119 63.377 56.213 56.697 940 1HB GLU 119 2HB GLU 119 64.755 58.662 57.894 941 2HB GLU 119 1HB GLU 119 65.276 56.924 57.756 942 1HG GLU 119 2HG GLU 119 64.780 57.267 55.134 943 2HG GLU 119 1HG GLU 119 65.106 59.012 55.567 944 H LEU 120 H LEU 120 61.729 55.358 57.852 945 HA LEU 120 HA LEU 120 60.610 56.881 60.064 946 1HB LEU 120 2HB LEU 120 60.142 54.278 58.834 947 2HB LEU 120 1HB LEU 120 59.816 54.295 60.668 948 HG LEU 120 HG LEU 120 58.501 55.843 58.406 949 1HD1 LEU 120 1HD1 LEU 120 56.397 55.101 59.563 950 2HD1 LEU 120 2HD1 LEU 120 57.438 54.345 60.833 951 3HD1 LEU 120 3HD1 LEU 120 57.417 53.620 59.166 952 1HD2 LEU 120 1HD2 LEU 120 58.647 57.664 59.863 953 2HD2 LEU 120 2HD2 LEU 120 58.807 56.683 61.322 954 3HD2 LEU 120 3HD2 LEU 120 57.143 56.908 60.574 955 H THR 121 H THR 121 61.850 57.197 61.706 956 HA THR 121 HA THR 121 63.751 55.034 62.589 957 HB THR 121 HB THR 121 64.738 56.851 64.074 958 HG1 THR 121 1HG THR 121 62.941 58.475 62.586 959 1HG2 THR 121 1HG2 THR 121 64.762 58.295 61.429 960 2HG2 THR 121 2HG2 THR 121 64.796 56.495 61.151 961 3HG2 THR 121 3HG2 THR 121 66.148 57.294 62.045 962 H CYS 122 H CYS 122 60.800 55.064 62.957 963 HA CYS 122 HA CYS 122 60.154 55.621 65.731 964 1HB CYS 122 2HB CYS 122 58.041 54.502 64.971 965 2HB CYS 122 1HB CYS 122 58.699 55.331 63.560 966 HG CYS 122 HG CYS 122 60.078 53.163 62.642 967 H GLY 123 H GLY 123 59.860 54.389 67.337 968 1HA GLY 123 1HA GLY 123 60.070 52.625 68.890 969 2HA GLY 123 2HA GLY 123 60.470 51.561 67.521 970 H ASP 124 H ASP 124 62.244 54.377 67.609 971 HA ASP 124 HA ASP 124 64.405 55.068 68.307 972 1HB ASP 124 2HB ASP 124 63.955 53.457 70.473 973 2HB ASP 124 1HB ASP 124 65.170 52.388 69.521 974 H GLN 125 H GLN 125 64.239 51.524 67.765 975 HA GLN 125 HA GLN 125 66.663 51.589 66.200 976 1HB GLN 125 2HB GLN 125 64.783 49.645 67.012 977 2HB GLN 125 1HB GLN 125 64.665 49.592 65.212 978 1HG GLN 125 2HG GLN 125 67.154 49.353 64.994 979 2HG GLN 125 1HG GLN 125 67.157 49.202 66.852 980 1HE2 GLN 125 1HE2 GLN 125 65.705 48.075 63.877 981 2HE2 GLN 125 2HE2 GLN 125 65.429 46.290 64.493 982 H VAL 126 H VAL 126 66.984 51.766 64.064 983 HA VAL 126 HA VAL 126 65.129 53.631 62.661 984 HB VAL 126 HB VAL 126 67.908 52.455 61.833 985 1HG1 VAL 126 1HG1 VAL 126 66.305 54.967 61.047 986 2HG1 VAL 126 2HG1 VAL 126 66.502 53.488 59.974 987 3HG1 VAL 126 3HG1 VAL 126 67.930 54.595 60.398 988 1HG2 VAL 126 1HG2 VAL 126 67.588 53.974 64.072 989 2HG2 VAL 126 2HG2 VAL 126 67.332 55.281 62.872 990 3HG2 VAL 126 3HG2 VAL 126 68.914 54.406 62.888 991 H CYS 127 H CYS 127 63.456 52.659 61.606 992 HA CYS 127 HA CYS 127 63.960 50.335 59.749 993 1HB CYS 127 2HB CYS 127 61.377 52.000 60.019 994 2HB CYS 127 1HB CYS 127 61.599 50.278 59.569 995 HG CYS 127 HG CYS 127 62.612 49.795 62.217 996 H ARG 128 H ARG 128 62.048 51.180 57.872 997 HA ARG 128 HA ARG 128 63.123 53.786 56.833 998 1HB ARG 128 2HB ARG 128 64.832 51.804 56.398 999 2HB ARG 128 1HB ARG 128 63.635 51.420 55.035 1000 1HG ARG 128 2HG ARG 128 65.020 52.948 53.888 1001 2HG ARG 128 1HG ARG 128 63.808 54.063 54.534 1002 1HD ARG 128 2HD ARG 128 65.341 55.172 55.751 1003 2HD ARG 128 1HD ARG 128 65.836 53.565 56.560 1004 HE ARG 128 HE ARG 128 67.160 54.981 54.291 1005 1HH1 ARG 128 1HH2 ARG 128 66.837 51.936 56.166 1006 2HH1 ARG 128 2HH2 ARG 128 68.367 51.345 55.605 1007 1HH2 ARG 128 2HH1 ARG 128 69.232 54.083 53.589 1008 2HH2 ARG 128 1HH1 ARG 128 69.724 52.532 54.167 1009 H GLN 129 H GLN 129 61.875 54.677 55.414 1010 HA GLN 129 HA GLN 129 59.525 52.868 54.589 1011 1HB GLN 129 2HB GLN 129 59.224 54.863 56.187 1012 2HB GLN 129 1HB GLN 129 59.374 55.881 54.659 1013 1HG GLN 129 2HG GLN 129 57.188 55.538 54.388 1014 2HG GLN 129 1HG GLN 129 57.731 53.873 53.776 1015 1HE2 GLN 129 2HE2 GLN 129 56.897 52.100 54.953 1016 2HE2 GLN 129 1HE2 GLN 129 56.201 52.254 56.551 1017 H VAL 130 H VAL 130 59.206 52.440 52.420 1018 HA VAL 130 HA VAL 130 60.741 54.140 50.473 1019 HB VAL 130 HB VAL 130 59.499 51.285 50.311 1020 1HG1 VAL 130 1HG1 VAL 130 59.091 52.311 48.091 1021 2HG1 VAL 130 2HG1 VAL 130 60.532 51.298 47.901 1022 3HG1 VAL 130 3HG1 VAL 130 60.688 53.126 48.130 1023 1HG2 VAL 130 1HG2 VAL 130 62.098 52.188 51.045 1024 2HG2 VAL 130 2HG2 VAL 130 62.312 51.654 49.348 1025 3HG2 VAL 130 3HG2 VAL 130 61.679 50.481 50.503 1026 H PHE 131 H PHE 131 59.724 55.427 49.412 1027 HA PHE 131 HA PHE 131 56.761 55.307 48.789 1028 1HB PHE 131 2HB PHE 131 58.548 57.169 50.288 1029 2HB PHE 131 1HB PHE 131 57.399 57.959 49.062 1030 HD1 PHE 131 HD1 PHE 131 57.283 55.123 51.701 1031 HD2 PHE 131 HD2 PHE 131 55.543 58.735 50.112 1032 HE1 PHE 131 HE1 PHE 131 55.435 55.013 53.435 1033 HE2 PHE 131 HE2 PHE 131 53.792 58.561 51.787 1034 HZ PHE 131 HZ PHE 131 53.754 56.686 53.458 1035 H LYS 132 H LYS 132 56.611 55.238 46.664 1036 HA LYS 132 HA LYS 132 58.466 57.011 45.043 1037 1HB LYS 132 2HB LYS 132 59.071 54.593 44.569 1038 2HB LYS 132 1HB LYS 132 57.367 54.127 44.833 1039 1HG LYS 132 2HG LYS 132 57.977 55.997 42.479 1040 2HG LYS 132 1HG LYS 132 58.544 54.262 42.369 1041 1HD LYS 132 2HD LYS 132 55.686 54.818 43.172 1042 2HD LYS 132 1HD LYS 132 56.188 54.584 41.408 1043 1HE LYS 132 2HE LYS 132 57.035 52.615 43.566 1044 2HE LYS 132 1HE LYS 132 55.359 52.592 42.922 1045 1HZ LYS 132 1HZ LYS 132 57.020 52.729 40.699 1046 2HZ LYS 132 2HZ LYS 132 56.331 51.338 41.358 1047 3HZ LYS 132 3HZ LYS 132 57.904 51.795 41.732 1048 H LYS 133 H LYS 133 57.459 57.765 43.280 1049 HA LYS 133 HA LYS 133 55.362 57.602 41.741 1050 1HB LYS 133 2HB LYS 133 53.826 56.582 43.270 1051 2HB LYS 133 1HB LYS 133 54.119 57.954 44.433 1052 1HG LYS 133 2HG LYS 133 52.743 59.427 43.212 1053 2HG LYS 133 1HG LYS 133 53.212 58.627 41.626 1054 1HD LYS 133 2HD LYS 133 51.560 56.804 42.062 1055 2HD LYS 133 1HD LYS 133 51.196 57.617 43.680 1056 1HE LYS 133 2HE LYS 133 49.989 59.177 42.827 1057 2HE LYS 133 1HE LYS 133 51.233 59.588 41.526 1058 1HZ LYS 133 1HZ LYS 133 50.423 57.497 40.386 1059 2HZ LYS 133 2HZ LYS 133 49.478 58.878 40.256 1060 3HZ LYS 133 3HZ LYS 133 49.006 57.616 41.231 1061 H LYS 134 H LYS 134 54.486 59.937 44.190 1062 HA LYS 134 HA LYS 134 55.356 61.997 42.145 1063 1HB LYS 134 2HB LYS 134 52.735 61.423 43.372 1064 2HB LYS 134 1HB LYS 134 53.252 63.066 43.829 1065 1HG LYS 134 2HG LYS 134 51.941 63.013 41.716 1066 2HG LYS 134 1HG LYS 134 53.664 63.540 41.319 1067 1HD LYS 134 2HD LYS 134 53.758 60.743 41.244 1068 2HD LYS 134 1HD LYS 134 52.220 61.167 40.388 1069 1HE LYS 134 2HE LYS 134 53.912 61.324 38.676 1070 2HE LYS 134 1HE LYS 134 53.564 63.078 39.265 1071 1HZ LYS 134 1HZ LYS 134 55.626 63.077 40.338 1072 2HZ LYS 134 2HZ LYS 134 55.969 62.210 38.926 1073 3HZ LYS 134 3HZ LYS 134 55.736 61.427 40.361 1074 1H2 RTL 135 1H2 RET 135 45.967 51.416 58.682 1075 2H2 RTL 135 2H2 RET 135 46.579 52.289 60.008 1076 1H3 RTL 135 1H3 RET 135 46.472 50.305 61.132 1077 2H3 RTL 135 2H3 RET 135 46.284 49.435 59.687 1078 1H4 RTL 135 1H4 RET 135 48.469 48.793 59.505 1079 2H4 RTL 135 2H4 RET 135 48.393 49.029 61.211 1080 H7 RTL 135 H7 RET 135 51.287 52.102 58.652 1081 H8 RTL 135 H8 RET 135 49.331 54.220 59.838 1082 H10 RTL 135 H10 RET 135 49.969 55.904 57.841 1083 H11 RTL 135 H11 RET 135 52.791 56.494 57.552 1084 H12 RTL 135 H12 RET 135 50.907 58.661 58.732 1085 H14 RTL 135 H14 RET 135 51.483 60.242 56.655 1086 1H15 RTL 135 1H15 RET 135 54.204 61.458 57.302 1087 2H15 RTL 135 2H15 RET 135 52.821 62.224 56.426 1088 HO1 RTL 135 H51 RET 135 53.754 59.950 55.307 1089 1H16 RTL 135 1H16 RET 135 49.159 51.105 56.784 1090 2H16 RTL 135 2H16 RET 135 47.433 51.138 56.553 1091 3H16 RTL 135 3H16 RET 135 48.140 49.827 57.483 1092 1H17 RTL 135 1H17 RET 135 48.020 53.877 58.332 1093 2H17 RTL 135 2H17 RET 135 47.291 52.992 56.957 1094 3H17 RTL 135 3H17 RET 135 49.047 53.074 57.174 1095 1H18 RTL 135 1H18 RET 135 51.507 50.724 60.763 1096 2H18 RTL 135 2H18 RET 135 50.899 49.085 60.843 1097 3H18 RTL 135 3H18 RET 135 50.398 50.348 62.050 1098 1H19 RTL 135 1H19 RET 135 52.790 55.566 60.389 1099 2H19 RTL 135 2H19 RET 135 53.309 54.478 59.106 1100 3H19 RTL 135 3H19 RET 135 52.491 53.821 60.565 1101 1H20 RTL 135 1H20 RET 135 54.749 59.871 58.595 1102 2H20 RTL 135 2H20 RET 135 54.628 58.195 58.082 1103 3H20 RTL 135 3H20 RET 135 53.918 58.691 59.651 Start of MODEL 10 1 1H MET 1 1H MET 1 63.385 74.122 43.950 2 2H MET 1 2H MET 1 64.325 73.140 44.943 3 3H MET 1 3H MET 1 64.993 73.935 43.637 4 HA MET 1 HA MET 1 65.672 75.004 45.705 5 1HB MET 1 2HB MET 1 64.489 77.331 45.257 6 2HB MET 1 1HB MET 1 65.567 76.671 43.976 7 1HG MET 1 2HG MET 1 62.620 75.869 43.866 8 2HG MET 1 1HG MET 1 62.961 77.480 43.400 9 1HE MET 1 1HE MET 1 62.489 74.674 40.570 10 2HE MET 1 2HE MET 1 61.971 74.822 42.284 11 3HE MET 1 3HE MET 1 63.184 73.660 41.910 12 H THR 2 H THR 2 62.108 74.651 45.257 13 HA THR 2 HA THR 2 61.881 75.528 48.160 14 HB THR 2 HB THR 2 59.582 76.054 47.725 15 HG1 THR 2 1HG THR 2 58.575 75.242 45.871 16 1HG2 THR 2 1HG2 THR 2 60.934 76.416 44.881 17 2HG2 THR 2 2HG2 THR 2 61.357 77.446 46.232 18 3HG2 THR 2 3HG2 THR 2 59.654 77.445 45.633 19 H LYS 3 H LYS 3 59.464 74.371 48.724 20 HA LYS 3 HA LYS 3 60.424 71.517 48.721 21 1HB LYS 3 2HB LYS 3 58.144 72.584 50.376 22 2HB LYS 3 1HB LYS 3 59.360 71.277 50.808 23 1HG LYS 3 2HG LYS 3 60.404 72.932 52.057 24 2HG LYS 3 1HG LYS 3 61.005 73.485 50.469 25 1HD LYS 3 2HD LYS 3 58.614 74.740 50.391 26 2HD LYS 3 1HD LYS 3 58.719 74.519 52.201 27 1HE LYS 3 2HE LYS 3 60.602 75.886 52.385 28 2HE LYS 3 1HE LYS 3 61.100 75.513 50.617 29 1HZ LYS 3 1HZ LYS 3 58.621 76.834 50.573 30 2HZ LYS 3 2HZ LYS 3 60.016 77.442 50.022 31 3HZ LYS 3 3HZ LYS 3 59.519 77.727 51.602 32 H ASP 4 H ASP 4 57.083 73.076 48.600 33 HA ASP 4 HA ASP 4 55.181 72.326 47.650 34 1HB ASP 4 2HB ASP 4 57.370 71.370 45.726 35 2HB ASP 4 1HB ASP 4 55.674 70.647 45.562 36 H GLN 5 H GLN 5 55.456 71.162 49.957 37 HA GLN 5 HA GLN 5 55.929 68.284 49.981 38 1HB GLN 5 2HB GLN 5 54.180 70.422 51.526 39 2HB GLN 5 1HB GLN 5 54.356 68.649 52.114 40 1HG GLN 5 2HG GLN 5 56.482 70.818 51.930 41 2HG GLN 5 1HG GLN 5 55.846 69.776 53.340 42 1HE2 GLN 5 2HE2 GLN 5 55.765 67.396 52.457 43 2HE2 GLN 5 1HE2 GLN 5 57.318 66.744 51.971 44 H ASN 6 H ASN 6 53.448 70.388 49.080 45 HA ASN 6 HA ASN 6 51.148 68.768 48.869 46 1HB ASN 6 2HB ASN 6 52.232 70.911 46.899 47 2HB ASN 6 1HB ASN 6 50.850 69.754 46.437 48 1HD2 ASN 6 1HD2 ASN 6 51.962 72.228 48.573 49 2HD2 ASN 6 2HD2 ASN 6 50.233 72.720 49.129 50 H GLY 7 H GLY 7 51.762 66.505 48.583 51 1HA GLY 7 1HA GLY 7 52.088 65.860 45.653 52 2HA GLY 7 2HA GLY 7 53.373 65.377 46.804 53 H THR 8 H THR 8 52.507 63.578 45.585 54 HA THR 8 HA THR 8 50.522 62.098 47.213 55 HB THR 8 HB THR 8 50.957 62.098 44.139 56 HG1 THR 8 1HG THR 8 49.424 63.326 45.632 57 1HG2 THR 8 1HG2 THR 8 49.133 60.126 44.408 58 2HG2 THR 8 2HG2 THR 8 49.539 60.047 46.166 59 3HG2 THR 8 3HG2 THR 8 50.810 59.675 44.922 60 H TRP 9 H TRP 9 51.032 59.861 47.410 61 HA TRP 9 HA TRP 9 53.592 58.896 46.401 62 1HB TRP 9 2HB TRP 9 54.333 58.844 49.156 63 2HB TRP 9 1HB TRP 9 55.110 59.661 47.769 64 HD1 TRP 9 HD1 TRP 9 51.753 60.398 49.617 65 HE1 TRP 9 HE1 TRP 9 51.522 62.765 50.374 66 HE3 TRP 9 HE3 TRP 9 56.218 61.806 48.112 67 HZ2 TRP 9 HZ2 TRP 9 53.194 64.942 50.263 68 HZ3 TRP 9 HZ3 TRP 9 56.943 64.120 48.453 69 HH2 TRP 9 HH2 TRP 9 55.494 65.675 49.500 70 H GLU 10 H GLU 10 51.947 57.238 45.851 71 HA GLU 10 HA GLU 10 50.851 55.630 47.967 72 1HB GLU 10 2HB GLU 10 51.580 54.782 45.047 73 2HB GLU 10 1HB GLU 10 50.694 53.781 46.278 74 1HG GLU 10 2HG GLU 10 49.006 55.570 46.467 75 2HG GLU 10 1HG GLU 10 50.077 56.631 45.344 76 H MET 11 H MET 11 52.053 54.962 49.416 77 HA MET 11 HA MET 11 54.790 54.397 49.828 78 1HB MET 11 2HB MET 11 52.190 53.013 50.821 79 2HB MET 11 1HB MET 11 53.826 52.328 51.234 80 1HG MET 11 2HG MET 11 54.388 54.896 51.964 81 2HG MET 11 1HG MET 11 52.669 54.982 52.088 82 1HE MET 11 1HE MET 11 54.775 54.862 55.217 83 2HE MET 11 2HE MET 11 52.994 54.723 55.644 84 3HE MET 11 3HE MET 11 53.483 55.743 54.318 85 H GLU 12 H GLU 12 56.155 52.968 49.362 86 HA GLU 12 HA GLU 12 55.483 50.875 47.303 87 1HB GLU 12 2HB GLU 12 58.048 52.422 47.853 88 2HB GLU 12 1HB GLU 12 58.097 50.752 47.115 89 1HG GLU 12 2HG GLU 12 56.317 51.808 45.370 90 2HG GLU 12 1HG GLU 12 56.871 53.406 46.223 91 H SER 13 H SER 13 57.870 51.431 49.981 92 HA SER 13 HA SER 13 57.164 48.770 51.064 93 1HB SER 13 2HB SER 13 59.403 49.126 49.211 94 2HB SER 13 1HB SER 13 60.087 48.982 50.924 95 HG SER 13 HG SER 13 58.505 47.235 51.052 96 H ASN 14 H ASN 14 58.696 48.200 52.723 97 HA ASN 14 HA ASN 14 59.877 50.290 54.446 98 1HB ASN 14 2HB ASN 14 58.145 48.210 55.802 99 2HB ASN 14 1HB ASN 14 58.393 49.999 56.246 100 1HD2 ASN 14 1HD2 ASN 14 57.287 51.428 55.181 101 2HD2 ASN 14 2HD2 ASN 14 55.718 50.991 54.221 102 H GLU 15 H GLU 15 60.925 49.462 56.219 103 HA GLU 15 HA GLU 15 61.777 46.627 55.610 104 1HB GLU 15 2HB GLU 15 63.428 49.191 56.223 105 2HB GLU 15 1HB GLU 15 64.076 47.617 56.852 106 1HG GLU 15 2HG GLU 15 62.964 47.649 54.031 107 2HG GLU 15 1HG GLU 15 64.646 48.398 54.417 108 H ASN 16 H ASN 16 63.060 45.814 57.687 109 HA ASN 16 HA ASN 16 62.564 44.750 59.649 110 1HB ASN 16 2HB ASN 16 63.196 47.661 60.262 111 2HB ASN 16 1HB ASN 16 62.371 46.701 61.612 112 1HD2 ASN 16 2HD2 ASN 16 65.054 47.786 61.261 113 2HD2 ASN 16 1HD2 ASN 16 66.100 46.223 61.565 114 H PHE 17 H PHE 17 60.455 44.534 58.405 115 HA PHE 17 HA PHE 17 58.036 45.795 59.046 116 1HB PHE 17 2HB PHE 17 58.373 42.732 58.931 117 2HB PHE 17 1HB PHE 17 56.908 43.715 58.476 118 HD1 PHE 17 HD1 PHE 17 60.134 42.365 57.411 119 HD2 PHE 17 HD2 PHE 17 57.155 45.251 56.379 120 HE1 PHE 17 HE1 PHE 17 61.043 42.563 55.146 121 HE2 PHE 17 HE2 PHE 17 58.073 45.455 54.111 122 HZ PHE 17 HZ PHE 17 60.062 44.090 53.456 123 H GLU 18 H GLU 18 59.979 43.580 60.736 124 HA GLU 18 HA GLU 18 58.114 42.825 62.946 125 1HB GLU 18 2HB GLU 18 61.249 43.067 62.748 126 2HB GLU 18 1HB GLU 18 60.297 42.287 64.081 127 1HG GLU 18 2HG GLU 18 59.391 40.629 62.515 128 2HG GLU 18 1HG GLU 18 60.411 41.417 61.097 129 H GLY 19 H GLY 19 60.726 45.281 62.594 130 1HA GLY 19 1HA GLY 19 60.160 46.060 65.457 131 2HA GLY 19 2HA GLY 19 61.350 46.865 64.321 132 H TYR 20 H TYR 20 58.983 46.876 62.233 133 HA TYR 20 HA TYR 20 58.010 49.488 63.019 134 1HB TYR 20 2HB TYR 20 58.296 48.654 60.622 135 2HB TYR 20 1HB TYR 20 56.996 47.443 60.955 136 HD1 TYR 20 HD1 TYR 20 57.338 51.174 61.530 137 HD2 TYR 20 HD2 TYR 20 55.132 47.897 60.015 138 HE1 TYR 20 HE1 TYR 20 55.528 52.750 60.783 139 HE2 TYR 20 HE2 TYR 20 53.324 49.352 59.254 140 HH TYR 20 HH TYR 20 53.081 51.753 58.655 141 H MET 21 H MET 21 56.974 46.184 63.239 142 HA MET 21 HA MET 21 54.212 46.678 64.196 143 1HB MET 21 2HB MET 21 55.322 44.691 62.827 144 2HB MET 21 1HB MET 21 56.246 44.355 64.297 145 1HG MET 21 2HG MET 21 53.508 44.380 65.222 146 2HG MET 21 1HG MET 21 53.306 43.765 63.616 147 1HE MET 21 1HE MET 21 53.083 42.748 66.764 148 2HE MET 21 2HE MET 21 53.643 41.004 66.746 149 3HE MET 21 3HE MET 21 52.438 41.490 65.642 150 H LYS 22 H LYS 22 57.379 46.471 65.449 151 HA LYS 22 HA LYS 22 56.539 45.819 68.166 152 1HB LYS 22 2HB LYS 22 58.899 45.238 67.108 153 2HB LYS 22 1HB LYS 22 59.328 46.987 67.346 154 1HG LYS 22 2HG LYS 22 58.050 45.912 69.749 155 2HG LYS 22 1HG LYS 22 59.569 44.970 69.242 156 1HD LYS 22 2HD LYS 22 60.887 46.836 69.771 157 2HD LYS 22 1HD LYS 22 59.666 48.015 69.007 158 1HE LYS 22 2HE LYS 22 58.544 48.333 70.986 159 2HE LYS 22 1HE LYS 22 58.800 46.576 71.454 160 1HZ LYS 22 1HZ LYS 22 60.014 48.641 72.620 161 2HZ LYS 22 2HZ LYS 22 61.141 48.376 71.401 162 3HZ LYS 22 3HZ LYS 22 60.775 47.166 72.442 163 H ALA 23 H ALA 23 57.201 48.682 66.388 164 HA ALA 23 HA ALA 23 57.220 50.322 68.844 165 1HB ALA 23 1HB ALA 23 57.017 52.223 67.118 166 2HB ALA 23 2HB ALA 23 57.004 50.960 65.814 167 3HB ALA 23 3HB ALA 23 58.478 51.154 66.878 168 H LEU 24 H LEU 24 55.119 49.026 66.664 169 HA LEU 24 HA LEU 24 52.716 50.365 67.952 170 1HB LEU 24 2HB LEU 24 53.404 51.090 65.485 171 2HB LEU 24 1HB LEU 24 53.145 49.380 65.012 172 HG LEU 24 HG LEU 24 50.710 49.574 65.893 173 1HD1 LEU 24 1HD1 LEU 24 51.810 51.996 67.022 174 2HD1 LEU 24 2HD1 LEU 24 50.159 51.323 67.205 175 3HD1 LEU 24 3HD1 LEU 24 50.494 52.449 65.854 176 1HD2 LEU 24 1HD2 LEU 24 51.666 51.369 63.614 177 2HD2 LEU 24 2HD2 LEU 24 49.918 51.183 63.956 178 3HD2 LEU 24 3HD2 LEU 24 50.966 49.735 63.523 179 H ASP 25 H ASP 25 53.023 48.498 69.213 180 HA ASP 25 HA ASP 25 52.762 45.738 68.286 181 1HB ASP 25 2HB ASP 25 52.310 45.361 70.821 182 2HB ASP 25 1HB ASP 25 53.867 46.189 70.388 183 H ILE 26 H ILE 26 51.038 46.528 66.792 184 HA ILE 26 HA ILE 26 48.325 46.770 67.910 185 HB ILE 26 HB ILE 26 49.673 46.616 65.207 186 1HG1 ILE 26 2HG1 ILE 26 47.367 48.281 66.336 187 2HG1 ILE 26 1HG1 ILE 26 49.165 48.641 66.485 188 1HG2 ILE 26 1HG2 ILE 26 46.716 46.038 65.873 189 2HG2 ILE 26 2HG2 ILE 26 47.785 45.040 64.775 190 3HG2 ILE 26 3HG2 ILE 26 47.189 46.723 64.280 191 1HD1 ILE 26 1HD1 ILE 26 47.530 48.586 63.817 192 2HD1 ILE 26 2HD1 ILE 26 49.355 48.556 63.938 193 3HD1 ILE 26 3HD1 ILE 26 48.467 49.941 64.566 194 H ASP 27 H ASP 27 49.792 44.505 65.704 195 HA ASP 27 HA ASP 27 49.316 42.132 67.181 196 1HB ASP 27 2HB ASP 27 46.853 43.270 66.023 197 2HB ASP 27 1HB ASP 27 47.283 41.736 65.092 198 H PHE 28 H PHE 28 48.853 40.171 65.360 199 HA PHE 28 HA PHE 28 51.304 40.512 63.836 200 1HB PHE 28 2HB PHE 28 49.183 38.176 63.908 201 2HB PHE 28 1HB PHE 28 50.829 38.103 63.168 202 HD1 PHE 28 HD1 PHE 28 52.715 39.164 64.907 203 HD2 PHE 28 HD2 PHE 28 48.995 37.281 65.986 204 HE1 PHE 28 HE1 PHE 28 53.641 38.622 67.192 205 HE2 PHE 28 HE2 PHE 28 49.893 36.711 68.284 206 HZ PHE 28 HZ PHE 28 52.259 37.435 68.821 207 H ALA 29 H ALA 29 48.033 41.012 63.212 208 HA ALA 29 HA ALA 29 47.979 40.595 60.295 209 1HB ALA 29 1HB ALA 29 45.991 42.312 60.564 210 2HB ALA 29 2HB ALA 29 46.392 42.291 62.306 211 3HB ALA 29 3HB ALA 29 45.853 40.725 61.509 212 H THR 30 H THR 30 48.536 43.376 62.366 213 HA THR 30 HA THR 30 48.668 45.468 60.620 214 HB THR 30 HB THR 30 49.804 44.916 63.280 215 HG1 THR 30 1HG THR 30 48.911 47.367 62.236 216 1HG2 THR 30 1HG2 THR 30 51.022 47.278 63.036 217 2HG2 THR 30 2HG2 THR 30 50.925 47.053 61.263 218 3HG2 THR 30 3HG2 THR 30 51.896 45.894 62.253 219 H ARG 31 H ARG 31 51.397 43.356 61.505 220 HA ARG 31 HA ARG 31 53.317 44.731 59.811 221 1HB ARG 31 2HB ARG 31 54.691 43.871 61.242 222 2HB ARG 31 1HB ARG 31 53.392 42.829 61.957 223 1HG ARG 31 2HG ARG 31 54.741 41.824 59.332 224 2HG ARG 31 1HG ARG 31 55.679 41.774 60.864 225 1HD ARG 31 2HD ARG 31 53.341 40.800 61.812 226 2HD ARG 31 1HD ARG 31 52.945 40.453 60.085 227 HE ARG 31 HE ARG 31 55.114 39.284 59.942 228 1HH1 ARG 31 1HH2 ARG 31 53.220 39.347 63.038 229 2HH1 ARG 31 2HH2 ARG 31 53.884 37.784 63.547 230 1HH2 ARG 31 1HH1 ARG 31 55.883 37.270 60.719 231 2HH2 ARG 31 2HH1 ARG 31 55.300 36.645 62.304 232 H LYS 32 H LYS 32 51.337 41.678 59.599 233 HA LYS 32 HA LYS 32 52.681 40.902 57.172 234 1HB LYS 32 2HB LYS 32 51.720 39.076 57.998 235 2HB LYS 32 1HB LYS 32 50.472 40.016 58.929 236 1HG LYS 32 2HG LYS 32 49.331 40.268 56.416 237 2HG LYS 32 1HG LYS 32 50.226 38.768 56.161 238 1HD LYS 32 2HD LYS 32 48.502 37.689 57.346 239 2HD LYS 32 1HD LYS 32 49.210 38.495 58.764 240 1HE LYS 32 2HE LYS 32 46.817 39.210 58.634 241 2HE LYS 32 1HE LYS 32 47.791 40.637 58.078 242 1HZ LYS 32 1HZ LYS 32 45.928 40.075 56.524 243 2HZ LYS 32 2HZ LYS 32 46.778 38.680 56.128 244 3HZ LYS 32 3HZ LYS 32 47.447 40.197 55.935 245 H ILE 33 H ILE 33 50.061 42.930 58.038 246 HA ILE 33 HA ILE 33 49.040 43.111 55.295 247 HB ILE 33 HB ILE 33 48.379 44.659 57.878 248 1HG1 ILE 33 2HG1 ILE 33 46.194 43.606 56.110 249 2HG1 ILE 33 1HG1 ILE 33 47.387 42.343 56.580 250 1HG2 ILE 33 1HG2 ILE 33 47.924 45.573 55.070 251 2HG2 ILE 33 2HG2 ILE 33 47.910 46.484 56.662 252 3HG2 ILE 33 3HG2 ILE 33 46.426 45.642 56.054 253 1HD1 ILE 33 1HD1 ILE 33 45.276 43.491 58.254 254 2HD1 ILE 33 2HD1 ILE 33 46.850 43.991 58.949 255 3HD1 ILE 33 3HD1 ILE 33 46.468 42.206 58.643 256 H ALA 34 H ALA 34 50.815 45.152 57.556 257 HA ALA 34 HA ALA 34 51.330 47.367 55.730 258 1HB ALA 34 1HB ALA 34 53.202 47.865 57.450 259 2HB ALA 34 2HB ALA 34 52.866 46.264 58.195 260 3HB ALA 34 3HB ALA 34 51.603 47.569 58.235 261 H VAL 35 H VAL 35 52.816 44.270 56.351 262 HA VAL 35 HA VAL 35 55.425 44.570 55.429 263 HB VAL 35 HB VAL 35 53.484 42.299 55.693 264 1HG1 VAL 35 1HG1 VAL 35 54.818 40.688 54.278 265 2HG1 VAL 35 2HG1 VAL 35 55.731 42.092 53.559 266 3HG1 VAL 35 3HG1 VAL 35 53.985 41.975 53.303 267 1HG2 VAL 35 1HG2 VAL 35 56.396 41.775 55.964 268 2HG2 VAL 35 2HG2 VAL 35 54.993 41.519 57.126 269 3HG2 VAL 35 3HG2 VAL 35 55.745 43.161 56.953 270 H ARG 36 H ARG 36 52.583 44.436 53.724 271 HA ARG 36 HA ARG 36 54.090 44.775 51.090 272 1HB ARG 36 2HB ARG 36 52.604 43.451 49.900 273 2HB ARG 36 1HB ARG 36 52.973 42.562 51.465 274 1HG ARG 36 2HG ARG 36 50.482 44.279 51.504 275 2HG ARG 36 1HG ARG 36 50.411 42.800 50.460 276 1HD ARG 36 2HD ARG 36 51.267 42.955 53.379 277 2HD ARG 36 1HD ARG 36 49.723 42.264 52.847 278 HE ARG 36 HE ARG 36 52.354 40.923 52.716 279 1HH1 ARG 36 2HH1 ARG 36 49.193 41.164 51.141 280 2HH1 ARG 36 1HH1 ARG 36 49.350 39.533 50.406 281 1HH2 ARG 36 2HH2 ARG 36 52.448 38.726 51.684 282 2HH2 ARG 36 1HH2 ARG 36 51.071 38.249 50.717 283 H LEU 37 H LEU 37 51.332 45.828 53.126 284 HA LEU 37 HA LEU 37 49.863 47.072 51.119 285 1HB LEU 37 2HB LEU 37 50.209 47.422 54.130 286 2HB LEU 37 1HB LEU 37 49.805 48.939 53.196 287 HG LEU 37 HG LEU 37 47.895 47.456 54.072 288 1HD1 LEU 37 1HD1 LEU 37 47.726 49.442 52.564 289 2HD1 LEU 37 2HD1 LEU 37 46.475 48.210 52.270 290 3HD1 LEU 37 3HD1 LEU 37 47.936 48.273 51.159 291 1HD2 LEU 37 1HD2 LEU 37 49.241 45.451 52.448 292 2HD2 LEU 37 2HD2 LEU 37 47.808 45.947 51.471 293 3HD2 LEU 37 3HD2 LEU 37 47.566 45.364 53.165 294 H THR 38 H THR 38 50.070 48.603 49.851 295 HA THR 38 HA THR 38 52.404 50.452 49.981 296 HB THR 38 HB THR 38 51.750 50.617 47.432 297 HG1 THR 38 1HG THR 38 50.937 47.971 47.789 298 1HG2 THR 38 1HG2 THR 38 53.032 48.144 48.706 299 2HG2 THR 38 2HG2 THR 38 53.941 49.569 48.090 300 3HG2 THR 38 3HG2 THR 38 53.042 48.490 46.916 301 H GLN 39 H GLN 39 50.354 51.087 51.647 302 HA GLN 39 HA GLN 39 48.198 52.434 51.025 303 1HB GLN 39 2HB GLN 39 48.602 52.655 53.238 304 2HB GLN 39 1HB GLN 39 50.388 52.494 52.997 305 1HG GLN 39 2HG GLN 39 50.586 54.828 52.276 306 2HG GLN 39 1HG GLN 39 48.796 55.115 52.656 307 1HE2 GLN 39 1HE2 GLN 39 50.943 56.438 53.687 308 2HE2 GLN 39 2HE2 GLN 39 51.102 56.130 55.421 309 H THR 40 H THR 40 47.453 54.261 50.499 310 HA THR 40 HA THR 40 49.111 56.050 48.759 311 HB THR 40 HB THR 40 46.073 56.241 48.982 312 HG1 THR 40 1HG THR 40 45.797 54.482 47.977 313 1HG2 THR 40 1HG2 THR 40 47.226 56.409 46.252 314 2HG2 THR 40 2HG2 THR 40 48.195 57.456 47.382 315 3HG2 THR 40 3HG2 THR 40 46.413 57.723 47.216 316 H LYS 41 H LYS 41 49.441 58.039 49.100 317 HA LYS 41 HA LYS 41 47.754 59.446 51.266 318 1HB LYS 41 2HB LYS 41 50.106 58.177 52.026 319 2HB LYS 41 1HB LYS 41 50.795 59.675 51.250 320 1HG LYS 41 2HG LYS 41 48.894 60.811 52.910 321 2HG LYS 41 1HG LYS 41 49.142 59.213 53.729 322 1HD LYS 41 2HD LYS 41 50.801 60.842 54.713 323 2HD LYS 41 1HD LYS 41 51.734 59.725 53.634 324 1HE LYS 41 2HE LYS 41 51.072 61.545 51.761 325 2HE LYS 41 1HE LYS 41 51.079 62.601 53.271 326 1HZ LYS 41 1HZ LYS 41 53.323 60.745 53.038 327 2HZ LYS 41 2HZ LYS 41 53.280 62.423 53.277 328 3HZ LYS 41 3HZ LYS 41 53.213 61.803 51.762 329 H ILE 42 H ILE 42 47.986 61.682 51.379 330 HA ILE 42 HA ILE 42 49.780 62.948 49.453 331 HB ILE 42 HB ILE 42 48.383 62.509 47.586 332 1HG1 ILE 42 2HG1 ILE 42 46.713 64.803 48.546 333 2HG1 ILE 42 1HG1 ILE 42 48.447 65.130 48.208 334 1HG2 ILE 42 1HG2 ILE 42 45.924 62.757 49.431 335 2HG2 ILE 42 2HG2 ILE 42 46.599 61.261 48.765 336 3HG2 ILE 42 3HG2 ILE 42 45.861 62.477 47.673 337 1HD1 ILE 42 1HD1 ILE 42 46.929 63.460 46.190 338 2HD1 ILE 42 2HD1 ILE 42 48.114 64.808 45.875 339 3HD1 ILE 42 3HD1 ILE 42 46.374 65.193 46.285 340 H ILE 43 H ILE 43 50.482 64.422 50.529 341 HA ILE 43 HA ILE 43 49.125 65.919 52.652 342 HB ILE 43 HB ILE 43 51.678 66.502 51.165 343 1HG1 ILE 43 2HG1 ILE 43 51.485 64.696 53.657 344 2HG1 ILE 43 1HG1 ILE 43 51.619 63.960 51.973 345 1HG2 ILE 43 1HG2 ILE 43 51.273 68.201 52.715 346 2HG2 ILE 43 2HG2 ILE 43 52.340 67.111 53.713 347 3HG2 ILE 43 3HG2 ILE 43 50.534 67.079 53.929 348 1HD1 ILE 43 1HD1 ILE 43 53.560 65.986 52.007 349 2HD1 ILE 43 2HD1 ILE 43 53.913 64.226 52.298 350 3HD1 ILE 43 3HD1 ILE 43 53.693 65.296 53.688 351 H VAL 44 H VAL 44 49.228 68.231 52.723 352 HA VAL 44 HA VAL 44 49.581 69.706 50.103 353 HB VAL 44 HB VAL 44 47.497 68.680 49.703 354 1HG1 VAL 44 1HG1 VAL 44 46.275 69.883 52.265 355 2HG1 VAL 44 2HG1 VAL 44 46.930 68.157 52.061 356 3HG1 VAL 44 3HG1 VAL 44 45.552 68.746 51.089 357 1HG2 VAL 44 1HG2 VAL 44 47.847 71.549 49.735 358 2HG2 VAL 44 2HG2 VAL 44 46.395 71.354 50.771 359 3HG2 VAL 44 3HG2 VAL 44 46.326 70.804 49.068 360 H GLN 45 H GLN 45 50.556 71.486 50.860 361 HA GLN 45 HA GLN 45 49.175 73.098 52.877 362 1HB GLN 45 2HB GLN 45 51.474 73.276 54.148 363 2HB GLN 45 1HB GLN 45 50.583 71.677 54.329 364 1HG GLN 45 2HG GLN 45 52.219 70.562 53.022 365 2HG GLN 45 1HG GLN 45 52.413 72.123 51.976 366 1HE2 GLN 45 1HE2 GLN 45 53.629 70.042 54.284 367 2HE2 GLN 45 2HE2 GLN 45 54.968 71.223 54.928 368 H ASP 46 H ASP 46 50.489 74.900 53.552 369 HA ASP 46 HA ASP 46 51.826 76.053 51.136 370 1HB ASP 46 2HB ASP 46 49.214 76.630 51.951 371 2HB ASP 46 1HB ASP 46 50.155 78.018 52.641 372 H GLY 47 H GLY 47 52.442 75.305 54.198 373 1HA GLY 47 1HA GLY 47 54.578 76.102 55.099 374 2HA GLY 47 2HA GLY 47 54.057 77.855 54.709 375 H ASP 48 H ASP 48 52.764 75.061 56.339 376 HA ASP 48 HA ASP 48 52.969 75.825 59.050 377 1HB ASP 48 2HB ASP 48 50.968 77.479 57.476 378 2HB ASP 48 1HB ASP 48 50.243 76.670 59.006 379 H ASN 49 H ASN 49 50.053 75.333 57.251 380 HA ASN 49 HA ASN 49 49.514 72.846 58.866 381 1HB ASN 49 2HB ASN 49 47.094 73.406 57.459 382 2HB ASN 49 1HB ASN 49 47.524 73.913 59.194 383 1HD2 ASN 49 2HD2 ASN 49 48.031 75.827 59.556 384 2HD2 ASN 49 1HD2 ASN 49 47.795 77.272 58.311 385 H PHE 50 H PHE 50 49.398 70.951 58.114 386 HA PHE 50 HA PHE 50 49.118 70.586 55.135 387 1HB PHE 50 2HB PHE 50 50.426 68.272 56.330 388 2HB PHE 50 1HB PHE 50 50.992 69.434 55.031 389 HD1 PHE 50 HD1 PHE 50 51.222 68.386 58.526 390 HD2 PHE 50 HD2 PHE 50 52.091 71.557 55.690 391 HE1 PHE 50 HE1 PHE 50 52.868 69.443 60.113 392 HE2 PHE 50 HE2 PHE 50 53.692 72.559 57.263 393 HZ PHE 50 HZ PHE 50 54.049 71.479 59.444 394 H LYS 51 H LYS 51 47.692 69.162 54.300 395 HA LYS 51 HA LYS 51 46.261 67.605 56.426 396 1HB LYS 51 2HB LYS 51 44.909 69.381 55.879 397 2HB LYS 51 1HB LYS 51 45.150 69.277 54.063 398 1HG LYS 51 2HG LYS 51 42.900 68.360 55.110 399 2HG LYS 51 1HG LYS 51 43.775 67.226 54.010 400 1HD LYS 51 2HD LYS 51 44.473 65.940 55.847 401 2HD LYS 51 1HD LYS 51 44.285 67.322 57.069 402 1HE LYS 51 2HE LYS 51 41.818 66.669 55.659 403 2HE LYS 51 1HE LYS 51 42.496 65.181 56.513 404 1HZ LYS 51 1HZ LYS 51 42.381 67.811 57.895 405 2HZ LYS 51 2HZ LYS 51 42.338 66.297 58.560 406 3HZ LYS 51 3HZ LYS 51 40.984 66.947 57.733 407 H THR 52 H THR 52 47.550 66.009 56.122 408 HA THR 52 HA THR 52 47.368 64.546 53.437 409 HB THR 52 HB THR 52 49.561 64.808 54.302 410 HG1 THR 52 1HG THR 52 48.868 62.265 55.123 411 1HG2 THR 52 1HG2 THR 52 49.458 65.256 56.677 412 2HG2 THR 52 2HG2 THR 52 50.097 63.561 56.688 413 3HG2 THR 52 3HG2 THR 52 48.347 63.886 56.990 414 H LYS 53 H LYS 53 46.414 62.471 53.182 415 HA LYS 53 HA LYS 53 45.298 61.353 55.783 416 1HB LYS 53 2HB LYS 53 43.760 61.497 53.063 417 2HB LYS 53 1HB LYS 53 43.097 60.940 54.663 418 1HG LYS 53 2HG LYS 53 42.192 63.061 54.361 419 2HG LYS 53 1HG LYS 53 43.719 63.412 55.338 420 1HD LYS 53 2HD LYS 53 44.271 64.875 53.794 421 2HD LYS 53 1HD LYS 53 44.556 63.418 52.677 422 1HE LYS 53 2HE LYS 53 41.987 63.703 52.110 423 2HE LYS 53 1HE LYS 53 42.110 65.355 52.850 424 1HZ LYS 53 1HZ LYS 53 44.236 64.694 51.070 425 2HZ LYS 53 2HZ LYS 53 43.403 66.098 51.247 426 3HZ LYS 53 3HZ LYS 53 42.730 64.902 50.303 427 H THR 54 H THR 54 45.159 59.354 55.859 428 HA THR 54 HA THR 54 46.963 57.866 53.984 429 HB THR 54 HB THR 54 45.799 56.447 56.352 430 HG1 THR 54 1HG THR 54 46.798 58.752 56.662 431 1HG2 THR 54 1HG2 THR 54 47.279 55.257 54.874 432 2HG2 THR 54 2HG2 THR 54 48.415 55.771 56.245 433 3HG2 THR 54 3HG2 THR 54 48.429 56.624 54.685 434 H ASN 55 H ASN 55 46.309 56.009 52.836 435 HA ASN 55 HA ASN 55 43.411 55.260 52.826 436 1HB ASN 55 2HB ASN 55 44.236 57.016 50.958 437 2HB ASN 55 1HB ASN 55 44.638 55.399 50.092 438 1HD2 ASN 55 2HD2 ASN 55 42.224 56.944 52.201 439 2HD2 ASN 55 1HD2 ASN 55 40.738 56.374 51.234 440 H SER 56 H SER 56 44.245 53.829 54.145 441 HA SER 56 HA SER 56 45.432 51.394 52.759 442 1HB SER 56 2HB SER 56 46.434 50.918 54.943 443 2HB SER 56 1HB SER 56 46.270 52.775 54.993 444 HG SER 56 HG SER 56 44.393 50.928 55.933 445 H THR 57 H THR 57 44.715 49.584 54.365 446 HA THR 57 HA THR 57 41.676 49.501 54.071 447 HB THR 57 HB THR 57 43.328 46.996 54.073 448 HG1 THR 57 1HG THR 57 43.808 48.895 52.355 449 1HG2 THR 57 1HG2 THR 57 40.807 48.050 52.535 450 2HG2 THR 57 2HG2 THR 57 40.749 46.848 53.862 451 3HG2 THR 57 3HG2 THR 57 41.469 46.344 52.338 452 H PHE 58 H PHE 58 44.465 48.224 55.812 453 HA PHE 58 HA PHE 58 43.010 47.002 57.981 454 1HB PHE 58 2HB PHE 58 45.540 46.767 57.379 455 2HB PHE 58 1HB PHE 58 45.736 48.277 58.365 456 HD1 PHE 58 HD1 PHE 58 46.334 47.927 60.618 457 HD2 PHE 58 HD2 PHE 58 43.888 45.047 58.571 458 HE1 PHE 58 HE1 PHE 58 46.263 46.486 62.649 459 HE2 PHE 58 HE2 PHE 58 43.842 43.618 60.642 460 HZ PHE 58 HZ PHE 58 45.060 44.362 62.702 461 H ARG 59 H ARG 59 44.155 50.448 57.736 462 HA ARG 59 HA ARG 59 42.114 51.119 59.807 463 1HB ARG 59 2HB ARG 59 44.207 49.868 60.974 464 2HB ARG 59 1HB ARG 59 44.829 51.607 60.941 465 1HG ARG 59 2HG ARG 59 43.715 51.421 62.957 466 2HG ARG 59 1HG ARG 59 42.555 52.277 61.817 467 1HD ARG 59 2HD ARG 59 41.253 50.241 61.525 468 2HD ARG 59 1HD ARG 59 42.585 49.258 62.245 469 HE ARG 59 HE ARG 59 41.814 51.052 64.286 470 1HH1 ARG 59 1HH1 ARG 59 40.335 48.513 62.127 471 2HH1 ARG 59 2HH1 ARG 59 39.164 48.018 63.328 472 1HH2 ARG 59 2HH2 ARG 59 40.128 50.213 65.832 473 2HH2 ARG 59 1HH2 ARG 59 39.033 48.955 65.367 474 H ASN 60 H ASN 60 41.881 52.247 57.889 475 HA ASN 60 HA ASN 60 43.447 54.421 56.973 476 1HB ASN 60 2HB ASN 60 41.101 55.446 56.433 477 2HB ASN 60 1HB ASN 60 41.150 53.632 55.933 478 1HD2 ASN 60 2HD2 ASN 60 39.350 55.984 57.324 479 2HD2 ASN 60 1HD2 ASN 60 38.413 55.018 58.425 480 H TYR 61 H TYR 61 43.791 56.343 57.405 481 HA TYR 61 HA TYR 61 42.341 57.831 59.400 482 1HB TYR 61 2HB TYR 61 43.736 57.803 61.328 483 2HB TYR 61 1HB TYR 61 43.699 56.055 60.817 484 HD1 TYR 61 HD1 TYR 61 45.625 58.082 62.392 485 HD2 TYR 61 HD2 TYR 61 45.799 56.170 58.536 486 HE1 TYR 61 HE1 TYR 61 48.061 58.243 62.474 487 HE2 TYR 61 HE2 TYR 61 48.226 56.350 58.631 488 HH TYR 61 HH TYR 61 49.950 56.934 61.377 489 H ASP 62 H ASP 62 43.605 59.795 60.154 490 HA ASP 62 HA ASP 62 45.468 60.775 57.922 491 1HB ASP 62 2HB ASP 62 44.373 62.948 58.057 492 2HB ASP 62 1HB ASP 62 43.146 61.594 57.614 493 H LEU 63 H LEU 63 46.777 62.461 58.262 494 HA LEU 63 HA LEU 63 47.609 62.634 61.147 495 1HB LEU 63 2HB LEU 63 48.964 61.380 59.063 496 2HB LEU 63 1HB LEU 63 49.716 63.019 58.956 497 HG LEU 63 HG LEU 63 51.038 61.544 60.601 498 1HD1 LEU 63 1HD1 LEU 63 50.700 64.022 61.102 499 2HD1 LEU 63 2HD1 LEU 63 51.062 62.861 62.473 500 3HD1 LEU 63 3HD1 LEU 63 49.380 63.541 62.195 501 1HD2 LEU 63 1HD2 LEU 63 48.602 60.264 60.989 502 2HD2 LEU 63 2HD2 LEU 63 48.537 61.420 62.384 503 3HD2 LEU 63 3HD2 LEU 63 49.964 60.272 62.182 504 H ASP 64 H ASP 64 45.849 64.556 60.018 505 HA ASP 64 HA ASP 64 47.305 66.800 58.916 506 1HB ASP 64 2HB ASP 64 44.852 66.655 58.827 507 2HB ASP 64 1HB ASP 64 44.781 66.795 60.692 508 H PHE 65 H PHE 65 48.325 68.537 59.789 509 HA PHE 65 HA PHE 65 48.449 69.020 62.635 510 1HB PHE 65 2HB PHE 65 49.748 66.926 62.678 511 2HB PHE 65 1HB PHE 65 50.727 67.524 61.252 512 HD1 PHE 65 HD1 PHE 65 52.892 67.752 61.950 513 HD2 PHE 65 HD2 PHE 65 49.693 69.094 64.476 514 HE1 PHE 65 HE1 PHE 65 54.510 68.688 63.509 515 HE2 PHE 65 HE2 PHE 65 51.302 70.050 66.056 516 HZ PHE 65 HZ PHE 65 53.773 69.867 65.610 517 H THR 66 H THR 66 49.829 70.830 63.108 518 HA THR 66 HA THR 66 50.444 72.570 60.781 519 HB THR 66 HB THR 66 50.588 73.573 63.566 520 HG1 THR 66 1HG THR 66 48.257 73.443 63.745 521 1HG2 THR 66 1HG2 THR 66 49.049 75.380 62.593 522 2HG2 THR 66 2HG2 THR 66 48.686 74.274 61.164 523 3HG2 THR 66 3HG2 THR 66 50.302 74.974 61.360 524 H VAL 67 H VAL 67 52.202 74.115 61.165 525 HA VAL 67 HA VAL 67 54.675 72.556 61.730 526 HB VAL 67 HB VAL 67 54.106 75.344 60.572 527 1HG1 VAL 67 1HG1 VAL 67 56.638 74.158 61.712 528 2HG1 VAL 67 2HG1 VAL 67 56.016 75.851 61.943 529 3HG1 VAL 67 3HG1 VAL 67 56.701 75.311 60.304 530 1HG2 VAL 67 1HG2 VAL 67 55.582 72.815 59.678 531 2HG2 VAL 67 2HG2 VAL 67 55.642 74.390 58.775 532 3HG2 VAL 67 3HG2 VAL 67 54.066 73.469 58.991 533 H GLY 68 H GLY 68 55.349 72.204 63.592 534 1HA GLY 68 1HA GLY 68 56.387 72.834 65.627 535 2HA GLY 68 2HA GLY 68 56.223 74.583 65.059 536 H VAL 69 H VAL 69 53.130 73.555 64.989 537 HA VAL 69 HA VAL 69 52.688 74.527 67.829 538 HB VAL 69 HB VAL 69 50.742 74.013 65.476 539 1HG1 VAL 69 1HG1 VAL 69 50.374 75.659 67.990 540 2HG1 VAL 69 2HG1 VAL 69 49.663 74.049 67.691 541 3HG1 VAL 69 3HG1 VAL 69 49.228 75.432 66.556 542 1HG2 VAL 69 1HG2 VAL 69 52.360 75.717 64.721 543 2HG2 VAL 69 2HG2 VAL 69 52.124 76.657 66.238 544 3HG2 VAL 69 3HG2 VAL 69 50.745 76.459 65.020 545 H GLU 70 H GLU 70 53.487 72.649 68.560 546 HA GLU 70 HA GLU 70 52.905 70.064 68.074 547 1HB GLU 70 2HB GLU 70 53.998 71.289 70.245 548 2HB GLU 70 1HB GLU 70 52.370 70.859 70.963 549 1HG GLU 70 2HG GLU 70 52.710 68.612 70.964 550 2HG GLU 70 1HG GLU 70 53.838 68.686 69.486 551 H PHE 71 H PHE 71 51.444 68.755 67.824 552 HA PHE 71 HA PHE 71 48.677 69.627 68.783 553 1HB PHE 71 2HB PHE 71 48.935 69.840 66.307 554 2HB PHE 71 1HB PHE 71 49.447 68.116 66.188 555 HD1 PHE 71 HD1 PHE 71 47.631 67.862 64.578 556 HD2 PHE 71 HD2 PHE 71 46.812 68.894 68.621 557 HE1 PHE 71 HE1 PHE 71 45.281 67.167 64.287 558 HE2 PHE 71 HE2 PHE 71 44.420 68.181 68.366 559 HZ PHE 71 HZ PHE 71 43.662 67.290 66.104 560 H ASP 72 H ASP 72 48.262 68.401 70.481 561 HA ASP 72 HA ASP 72 48.872 65.551 70.671 562 1HB ASP 72 2HB ASP 72 47.110 67.582 72.088 563 2HB ASP 72 1HB ASP 72 46.912 65.802 72.513 564 H GLU 73 H GLU 73 47.920 63.914 69.981 565 HA GLU 73 HA GLU 73 45.125 64.096 68.704 566 1HB GLU 73 2HB GLU 73 47.849 63.183 67.785 567 2HB GLU 73 1HB GLU 73 46.443 62.205 67.251 568 1HG GLU 73 2HG GLU 73 45.284 64.354 66.574 569 2HG GLU 73 1HG GLU 73 46.927 65.257 66.940 570 H HIS 74 H HIS 74 44.480 61.977 68.135 571 HA HIS 74 HA HIS 74 44.822 59.972 70.318 572 1HB HIS 74 2HB HIS 74 42.832 61.724 70.536 573 2HB HIS 74 1HB HIS 74 42.044 60.692 69.257 574 HD1 HIS 74 HD1 HIS 74 40.600 60.440 71.849 575 HD2 HIS 74 HD2 HIS 74 43.982 58.165 70.924 576 HE1 HIS 74 HE1 HIS 74 40.496 58.358 73.344 577 HE2 HIS 74 HE2 HIS 74 42.594 57.007 72.742 578 H THR 75 H THR 75 45.763 58.594 69.252 579 HA THR 75 HA THR 75 45.268 57.818 66.492 580 HB THR 75 HB THR 75 46.905 55.907 67.756 581 HG1 THR 75 1HG THR 75 48.306 57.390 68.828 582 1HG2 THR 75 1HG2 THR 75 48.666 57.873 66.830 583 2HG2 THR 75 2HG2 THR 75 47.175 58.786 66.481 584 3HG2 THR 75 3HG2 THR 75 47.500 57.253 65.560 585 H LYS 76 H LYS 76 43.450 57.204 68.981 586 HA LYS 76 HA LYS 76 43.074 54.438 69.419 587 1HB LYS 76 2HB LYS 76 40.506 54.974 69.400 588 2HB LYS 76 1HB LYS 76 41.653 55.879 70.529 589 1HG LYS 76 2HG LYS 76 41.521 57.832 69.477 590 2HG LYS 76 1HG LYS 76 41.465 57.046 67.814 591 1HD LYS 76 2HD LYS 76 39.118 56.586 68.111 592 2HD LYS 76 1HD LYS 76 39.191 57.200 69.860 593 1HE LYS 76 2HE LYS 76 38.214 58.938 68.297 594 2HE LYS 76 1HE LYS 76 39.759 59.478 69.065 595 1HZ LYS 76 1HZ LYS 76 39.964 58.040 66.542 596 2HZ LYS 76 2HZ LYS 76 40.860 59.369 67.046 597 3HZ LYS 76 3HZ LYS 76 39.358 59.597 66.396 598 H GLY 77 H GLY 77 43.087 52.848 68.223 599 1HA GLY 77 1HA GLY 77 41.627 51.628 66.570 600 2HA GLY 77 2HA GLY 77 41.952 52.986 65.387 601 H LEU 78 H LEU 78 44.345 53.628 66.087 602 HA LEU 78 HA LEU 78 46.036 51.630 64.626 603 1HB LEU 78 2HB LEU 78 45.847 54.576 64.955 604 2HB LEU 78 1HB LEU 78 47.558 53.912 64.903 605 HG LEU 78 HG LEU 78 45.496 52.969 62.883 606 1HD1 LEU 78 1HD1 LEU 78 45.090 55.209 62.561 607 2HD1 LEU 78 2HD1 LEU 78 46.491 54.951 61.411 608 3HD1 LEU 78 3HD1 LEU 78 46.762 55.687 63.034 609 1HD2 LEU 78 1HD2 LEU 78 47.939 52.043 63.029 610 2HD2 LEU 78 2HD2 LEU 78 48.570 53.671 62.587 611 3HD2 LEU 78 3HD2 LEU 78 47.608 52.811 61.390 612 H ASP 79 H ASP 79 45.262 51.556 67.564 613 HA ASP 79 HA ASP 79 46.166 50.850 69.411 614 1HB ASP 79 2HB ASP 79 47.953 50.044 67.284 615 2HB ASP 79 1HB ASP 79 48.794 49.934 68.935 616 H GLY 80 H GLY 80 46.570 53.778 68.695 617 1HA GLY 80 1HA GLY 80 49.197 54.246 69.983 618 2HA GLY 80 2HA GLY 80 48.289 55.458 68.960 619 H ARG 81 H ARG 81 45.930 55.346 70.084 620 HA ARG 81 HA ARG 81 44.566 56.084 71.827 621 1HB ARG 81 2HB ARG 81 46.639 55.014 73.848 622 2HB ARG 81 1HB ARG 81 44.832 55.219 74.065 623 1HG ARG 81 2HG ARG 81 44.493 53.093 73.287 624 2HG ARG 81 1HG ARG 81 45.207 53.597 71.715 625 1HD ARG 81 2HD ARG 81 47.425 52.935 72.454 626 2HD ARG 81 1HD ARG 81 46.842 52.628 74.164 627 HE ARG 81 HE ARG 81 46.502 50.924 71.791 628 1HH1 ARG 81 2HH2 ARG 81 45.447 51.716 75.151 629 2HH1 ARG 81 1HH2 ARG 81 44.746 50.115 75.379 630 1HH2 ARG 81 1HH1 ARG 81 45.539 48.784 72.228 631 2HH2 ARG 81 2HH1 ARG 81 44.785 48.497 73.814 632 H ASN 82 H ASN 82 48.037 57.221 72.141 633 HA ASN 82 HA ASN 82 46.925 59.823 72.501 634 1HB ASN 82 2HB ASN 82 47.982 60.115 74.871 635 2HB ASN 82 1HB ASN 82 46.415 59.035 74.809 636 1HD2 ASN 82 1HD2 ASN 82 49.809 59.378 75.333 637 2HD2 ASN 82 2HD2 ASN 82 50.098 57.766 75.959 638 H VAL 83 H VAL 83 48.118 60.730 71.204 639 HA VAL 83 HA VAL 83 51.085 60.716 71.804 640 HB VAL 83 HB VAL 83 51.747 60.266 69.640 641 1HG1 VAL 83 1HG1 VAL 83 49.244 58.570 69.995 642 2HG1 VAL 83 2HG1 VAL 83 50.822 58.190 70.753 643 3HG1 VAL 83 3HG1 VAL 83 50.654 58.143 68.949 644 1HG2 VAL 83 1HG2 VAL 83 50.229 60.315 67.646 645 2HG2 VAL 83 2HG2 VAL 83 49.956 61.849 68.566 646 3HG2 VAL 83 3HG2 VAL 83 48.772 60.485 68.770 647 H LYS 84 H LYS 84 52.319 62.308 70.958 648 HA LYS 84 HA LYS 84 50.841 64.899 70.375 649 1HB LYS 84 2HB LYS 84 53.396 64.757 72.057 650 2HB LYS 84 1HB LYS 84 52.274 66.173 71.768 651 1HG LYS 84 2HG LYS 84 51.349 65.518 73.787 652 2HG LYS 84 1HG LYS 84 50.542 64.275 72.673 653 1HD LYS 84 2HD LYS 84 52.457 62.730 72.985 654 2HD LYS 84 1HD LYS 84 53.231 63.856 74.157 655 1HE LYS 84 2HE LYS 84 50.353 62.763 74.487 656 2HE LYS 84 1HE LYS 84 51.819 61.896 75.157 657 1HZ LYS 84 1HZ LYS 84 51.016 63.266 76.919 658 2HZ LYS 84 2HZ LYS 84 50.781 64.562 75.903 659 3HZ LYS 84 3HZ LYS 84 52.337 64.059 76.276 660 H THR 85 H THR 85 51.142 65.091 68.383 661 HA THR 85 HA THR 85 53.722 64.544 66.979 662 HB THR 85 HB THR 85 50.912 65.001 66.351 663 HG1 THR 85 1HG THR 85 52.633 63.787 64.719 664 1HG2 THR 85 1HG2 THR 85 51.749 66.992 65.099 665 2HG2 THR 85 2HG2 THR 85 51.841 65.673 63.866 666 3HG2 THR 85 3HG2 THR 85 53.348 66.251 64.707 667 H LEU 86 H LEU 86 55.339 65.667 66.795 668 HA LEU 86 HA LEU 86 55.014 68.638 66.484 669 1HB LEU 86 2HB LEU 86 55.710 68.119 68.867 670 2HB LEU 86 1HB LEU 86 57.141 67.179 68.226 671 HG LEU 86 HG LEU 86 56.771 70.112 67.395 672 1HD1 LEU 86 1HD1 LEU 86 56.919 70.520 69.669 673 2HD1 LEU 86 2HD1 LEU 86 58.682 70.134 69.413 674 3HD1 LEU 86 3HD1 LEU 86 57.619 68.827 69.982 675 1HD2 LEU 86 1HD2 LEU 86 59.522 69.305 67.843 676 2HD2 LEU 86 2HD2 LEU 86 58.695 69.335 66.235 677 3HD2 LEU 86 3HD2 LEU 86 58.712 67.812 67.264 678 H VAL 87 H VAL 87 56.172 69.538 64.987 679 HA VAL 87 HA VAL 87 58.296 67.896 63.724 680 HB VAL 87 HB VAL 87 55.898 67.857 62.522 681 1HG1 VAL 87 1HG1 VAL 87 56.706 70.514 61.327 682 2HG1 VAL 87 2HG1 VAL 87 55.794 70.440 62.869 683 3HG1 VAL 87 3HG1 VAL 87 55.092 69.662 61.384 684 1HG2 VAL 87 1HG2 VAL 87 58.237 67.236 61.455 685 2HG2 VAL 87 2HG2 VAL 87 58.198 68.925 60.790 686 3HG2 VAL 87 3HG2 VAL 87 56.917 67.685 60.362 687 H THR 88 H THR 88 59.571 68.823 62.314 688 HA THR 88 HA THR 88 60.042 71.761 62.435 689 HB THR 88 HB THR 88 61.493 71.295 64.167 690 HG1 THR 88 1HG THR 88 63.345 69.856 63.008 691 1HG2 THR 88 1HG2 THR 88 62.326 68.826 64.618 692 2HG2 THR 88 2HG2 THR 88 61.364 68.308 63.185 693 3HG2 THR 88 3HG2 THR 88 60.513 69.045 64.623 694 H TRP 89 H TRP 89 60.333 72.265 60.444 695 HA TRP 89 HA TRP 89 61.015 70.633 58.133 696 1HB TRP 89 2HB TRP 89 61.191 73.658 58.881 697 2HB TRP 89 1HB TRP 89 61.926 73.075 57.346 698 HD1 TRP 89 HD1 TRP 89 58.553 73.535 59.158 699 HE1 TRP 89 HE1 TRP 89 56.768 73.208 57.379 700 HE3 TRP 89 HE3 TRP 89 61.543 72.000 55.511 701 HZ2 TRP 89 HZ2 TRP 89 56.736 72.318 54.544 702 HZ3 TRP 89 HZ3 TRP 89 60.717 71.423 53.327 703 HH2 TRP 89 HH2 TRP 89 58.349 71.560 52.819 704 H GLU 90 H GLU 90 63.002 70.296 57.052 705 HA GLU 90 HA GLU 90 65.290 71.267 58.735 706 1HB GLU 90 2HB GLU 90 64.145 68.749 59.068 707 2HB GLU 90 1HB GLU 90 65.633 68.435 58.100 708 1HG GLU 90 2HG GLU 90 65.872 70.319 60.543 709 2HG GLU 90 1HG GLU 90 65.572 68.515 60.839 710 H GLY 91 H GLY 91 64.434 71.991 56.328 711 1HA GLY 91 1HA GLY 91 65.309 72.756 54.343 712 2HA GLY 91 2HA GLY 91 66.856 71.772 54.615 713 H ASN 92 H ASN 92 63.625 71.915 53.653 714 HA ASN 92 HA ASN 92 62.154 70.687 52.254 715 1HB ASN 92 2HB ASN 92 64.920 69.801 51.293 716 2HB ASN 92 1HB ASN 92 63.352 68.952 50.671 717 1HD2 ASN 92 1HD2 ASN 92 64.274 69.761 48.695 718 2HD2 ASN 92 2HD2 ASN 92 63.751 71.340 48.158 719 H THR 93 H THR 93 61.959 69.980 54.511 720 HA THR 93 HA THR 93 61.421 67.116 54.650 721 HB THR 93 HB THR 93 62.997 67.807 57.047 722 HG1 THR 93 1HG THR 93 64.942 67.494 55.799 723 1HG2 THR 93 1HG2 THR 93 64.287 65.667 55.812 724 2HG2 THR 93 2HG2 THR 93 62.641 65.576 55.001 725 3HG2 THR 93 3HG2 THR 93 62.777 65.408 56.775 726 H LEU 94 H LEU 94 61.176 66.914 57.380 727 HA LEU 94 HA LEU 94 59.758 68.766 58.815 728 1HB LEU 94 2HB LEU 94 57.297 68.009 58.424 729 2HB LEU 94 1HB LEU 94 58.060 69.065 57.162 730 HG LEU 94 HG LEU 94 58.780 66.621 56.282 731 1HD1 LEU 94 1HD1 LEU 94 57.513 65.049 57.527 732 2HD1 LEU 94 2HD1 LEU 94 56.413 65.394 56.183 733 3HD1 LEU 94 3HD1 LEU 94 56.099 66.202 57.814 734 1HD2 LEU 94 1HD2 LEU 94 57.379 68.625 55.256 735 2HD2 LEU 94 2HD2 LEU 94 55.960 67.471 55.458 736 3HD2 LEU 94 3HD2 LEU 94 57.448 67.047 54.438 737 H VAL 95 H VAL 95 61.370 67.300 59.579 738 HA VAL 95 HA VAL 95 60.989 64.684 60.261 739 HB VAL 95 HB VAL 95 62.281 67.069 61.818 740 1HG1 VAL 95 1HG1 VAL 95 62.589 65.596 63.541 741 2HG1 VAL 95 2HG1 VAL 95 63.926 64.964 62.517 742 3HG1 VAL 95 3HG1 VAL 95 62.214 64.241 62.478 743 1HG2 VAL 95 1HG2 VAL 95 63.739 66.984 59.989 744 2HG2 VAL 95 2HG2 VAL 95 62.979 65.391 59.431 745 3HG2 VAL 95 3HG2 VAL 95 64.310 65.386 60.661 746 H CYS 96 H CYS 96 59.000 64.184 61.051 747 HA CYS 96 HA CYS 96 57.952 65.535 63.421 748 1HB CYS 96 2HB CYS 96 56.894 63.389 61.572 749 2HB CYS 96 1HB CYS 96 56.571 62.904 63.204 750 HG CYS 96 HG CYS 96 55.958 65.959 61.962 751 H VAL 97 H VAL 97 57.087 63.895 65.099 752 HA VAL 97 HA VAL 97 58.560 61.676 66.104 753 HB VAL 97 HB VAL 97 59.423 63.341 68.097 754 1HG1 VAL 97 1HG1 VAL 97 60.637 61.702 65.984 755 2HG1 VAL 97 2HG1 VAL 97 61.496 62.410 67.453 756 3HG1 VAL 97 3HG1 VAL 97 61.397 63.323 65.897 757 1HG2 VAL 97 1HG2 VAL 97 60.405 65.259 67.330 758 2HG2 VAL 97 2HG2 VAL 97 58.692 65.322 66.681 759 3HG2 VAL 97 3HG2 VAL 97 60.166 64.870 65.619 760 H GLN 98 H GLN 98 56.889 60.823 67.075 761 HA GLN 98 HA GLN 98 54.872 62.304 68.697 762 1HB GLN 98 2HB GLN 98 55.361 59.444 67.770 763 2HB GLN 98 1HB GLN 98 54.091 59.808 69.088 764 1HG GLN 98 2HG GLN 98 52.813 61.167 67.585 765 2HG GLN 98 1HG GLN 98 54.094 61.104 66.297 766 1HE2 GLN 98 1HE2 GLN 98 51.570 60.534 65.686 767 2HE2 GLN 98 2HE2 GLN 98 51.368 58.811 65.404 768 H LYS 99 H LYS 99 54.391 61.984 70.747 769 HA LYS 99 HA LYS 99 56.581 60.640 72.363 770 1HB LYS 99 2HB LYS 99 55.019 62.926 73.479 771 2HB LYS 99 1HB LYS 99 56.626 62.312 74.031 772 1HG LYS 99 2HG LYS 99 55.981 63.683 71.302 773 2HG LYS 99 1HG LYS 99 56.619 64.630 72.645 774 1HD LYS 99 2HD LYS 99 58.555 62.764 72.695 775 2HD LYS 99 1HD LYS 99 57.977 62.447 70.968 776 1HE LYS 99 2HE LYS 99 59.695 64.028 70.688 777 2HE LYS 99 1HE LYS 99 58.150 64.958 70.599 778 1HZ LYS 99 1HZ LYS 99 58.485 65.365 73.108 779 2HZ LYS 99 2HZ LYS 99 59.491 66.200 72.056 780 3HZ LYS 99 3HZ LYS 99 60.050 64.839 72.847 781 H GLY 100 H GLY 100 54.326 59.462 71.471 782 1HA GLY 100 1HA GLY 100 52.455 59.357 73.885 783 2HA GLY 100 2HA GLY 100 52.089 58.675 72.230 784 H GLU 101 H GLU 101 54.678 58.616 74.505 785 HA GLU 101 HA GLU 101 55.816 57.077 75.742 786 1HB GLU 101 2HB GLU 101 53.930 54.818 74.560 787 2HB GLU 101 1HB GLU 101 54.966 54.745 75.990 788 1HG GLU 101 2HG GLU 101 53.402 56.874 76.703 789 2HG GLU 101 1HG GLU 101 52.184 55.926 75.652 790 H LYS 102 H LYS 102 55.761 57.780 72.891 791 HA LYS 102 HA LYS 102 57.483 55.605 71.748 792 1HB LYS 102 2HB LYS 102 55.891 57.995 70.717 793 2HB LYS 102 1HB LYS 102 57.306 57.423 69.725 794 1HG LYS 102 2HG LYS 102 55.900 55.838 68.881 795 2HG LYS 102 1HG LYS 102 55.843 55.081 70.525 796 1HD LYS 102 2HD LYS 102 54.028 56.869 71.078 797 2HD LYS 102 1HD LYS 102 53.918 57.049 69.247 798 1HE LYS 102 2HE LYS 102 53.780 54.191 70.117 799 2HE LYS 102 1HE LYS 102 52.475 55.293 70.726 800 1HZ LYS 102 1HZ LYS 102 51.706 54.823 68.534 801 2HZ LYS 102 2HZ LYS 102 53.197 54.334 68.055 802 3HZ LYS 102 3HZ LYS 102 52.844 55.964 68.067 803 H GLU 103 H GLU 103 57.366 59.061 71.656 804 HA GLU 103 HA GLU 103 58.810 60.809 72.020 805 1HB GLU 103 2HB GLU 103 60.857 58.677 72.994 806 2HB GLU 103 1HB GLU 103 60.828 60.447 73.352 807 1HG GLU 103 2HG GLU 103 58.591 60.216 74.359 808 2HG GLU 103 1HG GLU 103 58.796 58.333 74.280 809 H ASN 104 H ASN 104 59.336 58.429 69.833 810 HA ASN 104 HA ASN 104 61.283 60.160 68.455 811 1HB ASN 104 2HB ASN 104 63.016 58.389 68.293 812 2HB ASN 104 1HB ASN 104 62.584 58.505 70.076 813 1HD2 ASN 104 2HD2 ASN 104 63.565 56.491 68.174 814 2HD2 ASN 104 1HD2 ASN 104 62.414 55.013 68.548 815 H ARG 105 H ARG 105 58.407 58.896 68.067 816 HA ARG 105 HA ARG 105 59.014 57.104 65.796 817 1HB ARG 105 2HB ARG 105 57.118 56.359 67.407 818 2HB ARG 105 1HB ARG 105 56.218 57.843 66.855 819 1HG ARG 105 2HG ARG 105 56.595 57.125 64.453 820 2HG ARG 105 1HG ARG 105 57.107 55.493 65.150 821 1HD ARG 105 2HD ARG 105 54.795 55.973 66.553 822 2HD ARG 105 1HD ARG 105 54.391 56.642 64.909 823 HE ARG 105 HE ARG 105 55.377 53.870 65.662 824 1HH1 ARG 105 2HH2 ARG 105 53.932 56.024 63.088 825 2HH1 ARG 105 1HH2 ARG 105 53.584 54.716 62.003 826 1HH2 ARG 105 1HH1 ARG 105 54.905 52.224 64.231 827 2HH2 ARG 105 2HH1 ARG 105 54.136 52.539 62.645 828 H GLY 106 H GLY 106 60.011 58.786 64.951 829 1HA GLY 106 1HA GLY 106 58.270 60.854 63.586 830 2HA GLY 106 2HA GLY 106 60.067 60.935 63.811 831 H TRP 107 H TRP 107 58.475 61.310 61.647 832 HA TRP 107 HA TRP 107 59.792 59.367 59.777 833 1HB TRP 107 2HB TRP 107 57.622 60.536 58.270 834 2HB TRP 107 1HB TRP 107 57.903 58.827 58.759 835 HD1 TRP 107 HD1 TRP 107 56.913 58.267 61.359 836 HE1 TRP 107 HE1 TRP 107 54.883 59.225 62.640 837 HE3 TRP 107 HE3 TRP 107 56.359 62.382 58.564 838 HZ2 TRP 107 HZ2 TRP 107 53.386 61.472 62.343 839 HZ3 TRP 107 HZ3 TRP 107 54.562 63.958 59.125 840 HH2 TRP 107 HH2 TRP 107 53.094 63.451 61.023 841 H LYS 108 H LYS 108 61.329 60.017 58.767 842 HA LYS 108 HA LYS 108 61.548 62.901 57.862 843 1HB LYS 108 2HB LYS 108 63.614 60.583 58.107 844 2HB LYS 108 1HB LYS 108 63.983 62.320 57.577 845 1HG LYS 108 2HG LYS 108 63.549 63.292 59.616 846 2HG LYS 108 1HG LYS 108 62.581 61.883 60.236 847 1HD LYS 108 2HD LYS 108 64.643 61.753 61.471 848 2HD LYS 108 1HD LYS 108 64.820 60.542 60.127 849 1HE LYS 108 2HE LYS 108 65.746 62.612 58.798 850 2HE LYS 108 1HE LYS 108 66.021 63.365 60.452 851 1HZ LYS 108 1HZ LYS 108 67.712 62.038 60.773 852 2HZ LYS 108 2HZ LYS 108 67.776 61.734 59.160 853 3HZ LYS 108 3HZ LYS 108 67.015 60.634 60.220 854 H GLN 109 H GLN 109 60.014 62.391 56.374 855 HA GLN 109 HA GLN 109 61.061 60.766 54.033 856 1HB GLN 109 2HB GLN 109 58.808 61.789 52.961 857 2HB GLN 109 1HB GLN 109 58.727 60.365 54.103 858 1HG GLN 109 2HG GLN 109 58.020 61.788 55.930 859 2HG GLN 109 1HG GLN 109 58.475 63.303 54.907 860 1HE2 GLN 109 1HE2 GLN 109 56.423 60.763 55.695 861 2HE2 GLN 109 2HE2 GLN 109 55.046 61.113 54.483 862 H TRP 110 H TRP 110 62.939 62.345 53.801 863 HA TRP 110 HA TRP 110 62.202 65.099 53.057 864 1HB TRP 110 2HB TRP 110 64.406 65.526 52.976 865 2HB TRP 110 1HB TRP 110 64.280 64.099 54.172 866 HD1 TRP 110 HD1 TRP 110 65.276 64.989 50.685 867 HE1 TRP 110 HE1 TRP 110 66.867 63.048 49.713 868 HE3 TRP 110 HE3 TRP 110 64.736 61.960 54.460 869 HZ2 TRP 110 HZ2 TRP 110 67.609 60.543 50.770 870 HZ3 TRP 110 HZ3 TRP 110 65.830 59.800 54.594 871 HH2 TRP 110 HH2 TRP 110 67.223 59.086 52.830 872 H VAL 111 H VAL 111 61.574 65.804 51.150 873 HA VAL 111 HA VAL 111 61.114 63.913 48.942 874 HB VAL 111 HB VAL 111 61.088 67.034 49.090 875 1HG1 VAL 111 1HG1 VAL 111 59.921 65.133 46.954 876 2HG1 VAL 111 2HG1 VAL 111 61.189 66.403 46.764 877 3HG1 VAL 111 3HG1 VAL 111 59.528 66.889 47.136 878 1HG2 VAL 111 1HG2 VAL 111 58.886 64.910 49.680 879 2HG2 VAL 111 2HG2 VAL 111 58.586 66.657 49.229 880 3HG2 VAL 111 3HG2 VAL 111 59.563 66.306 50.711 881 H GLU 112 H GLU 112 61.905 63.589 47.151 882 HA GLU 112 HA GLU 112 64.144 65.166 46.038 883 1HB GLU 112 2HB GLU 112 64.199 62.216 46.774 884 2HB GLU 112 1HB GLU 112 65.277 62.857 45.493 885 1HG GLU 112 2HG GLU 112 65.007 63.644 48.491 886 2HG GLU 112 1HG GLU 112 66.449 62.779 47.668 887 H GLY 113 H GLY 113 61.378 64.783 45.573 888 1HA GLY 113 1HA GLY 113 59.968 64.572 43.615 889 2HA GLY 113 2HA GLY 113 61.379 64.105 42.632 890 H ASP 114 H ASP 114 59.958 62.617 41.683 891 HA ASP 114 HA ASP 114 58.365 60.696 42.379 892 1HB ASP 114 2HB ASP 114 59.598 59.096 40.739 893 2HB ASP 114 1HB ASP 114 59.236 60.816 40.072 894 H LYS 115 H LYS 115 61.724 60.491 43.388 895 HA LYS 115 HA LYS 115 61.087 57.993 44.953 896 1HB LYS 115 2HB LYS 115 63.535 58.765 43.258 897 2HB LYS 115 1HB LYS 115 63.833 58.043 44.873 898 1HG LYS 115 2HG LYS 115 61.604 56.693 43.334 899 2HG LYS 115 1HG LYS 115 63.324 56.571 42.659 900 1HD LYS 115 2HD LYS 115 64.013 55.271 44.359 901 2HD LYS 115 1HD LYS 115 63.254 56.317 45.613 902 1HE LYS 115 2HE LYS 115 61.277 54.953 45.677 903 2HE LYS 115 1HE LYS 115 61.280 54.855 43.903 904 1HZ LYS 115 1HZ LYS 115 63.215 53.249 44.157 905 2HZ LYS 115 2HZ LYS 115 61.700 52.650 44.590 906 3HZ LYS 115 3HZ LYS 115 62.771 53.101 45.763 907 H LEU 116 H LEU 116 61.117 58.136 46.954 908 HA LEU 116 HA LEU 116 63.004 60.173 48.110 909 1HB LEU 116 2HB LEU 116 61.594 61.508 49.237 910 2HB LEU 116 1HB LEU 116 60.746 61.343 47.631 911 HG LEU 116 HG LEU 116 59.826 59.240 49.428 912 1HD1 LEU 116 1HD1 LEU 116 58.976 61.985 50.491 913 2HD1 LEU 116 2HD1 LEU 116 60.538 61.302 51.031 914 3HD1 LEU 116 3HD1 LEU 116 58.938 60.398 51.320 915 1HD2 LEU 116 1HD2 LEU 116 58.446 59.770 47.598 916 2HD2 LEU 116 2HD2 LEU 116 58.423 61.579 47.985 917 3HD2 LEU 116 3HD2 LEU 116 57.540 60.387 48.979 918 H TYR 117 H TYR 117 63.665 59.960 50.156 919 HA TYR 117 HA TYR 117 62.968 57.220 51.102 920 1HB TYR 117 2HB TYR 117 65.370 59.012 51.033 921 2HB TYR 117 1HB TYR 117 65.251 57.919 52.498 922 HD1 TYR 117 HD1 TYR 117 67.237 57.925 49.848 923 HD2 TYR 117 HD2 TYR 117 63.799 55.526 50.909 924 HE1 TYR 117 HE1 TYR 117 67.988 56.151 48.406 925 HE2 TYR 117 HE2 TYR 117 64.579 53.767 49.460 926 HH TYR 117 HH TYR 117 67.469 53.371 48.506 927 H LEU 118 H LEU 118 61.728 56.873 52.573 928 HA LEU 118 HA LEU 118 61.484 58.949 54.762 929 1HB LEU 118 2HB LEU 118 59.352 58.507 53.587 930 2HB LEU 118 1HB LEU 118 59.559 56.726 53.727 931 HG LEU 118 HG LEU 118 59.265 56.873 56.227 932 1HD1 LEU 118 1HD1 LEU 118 59.821 59.704 55.584 933 2HD1 LEU 118 2HD1 LEU 118 60.160 58.798 57.099 934 3HD1 LEU 118 3HD1 LEU 118 58.521 59.519 56.809 935 1HD2 LEU 118 1HD2 LEU 118 57.022 56.761 55.278 936 2HD2 LEU 118 2HD2 LEU 118 57.315 58.305 54.336 937 3HD2 LEU 118 3HD2 LEU 118 56.954 58.299 56.124 938 H GLU 119 H GLU 119 62.341 58.595 56.593 939 HA GLU 119 HA GLU 119 63.248 55.795 57.304 940 1HB GLU 119 2HB GLU 119 64.616 58.107 58.702 941 2HB GLU 119 1HB GLU 119 65.141 56.491 58.207 942 1HG GLU 119 2HG GLU 119 64.570 57.540 55.704 943 2HG GLU 119 1HG GLU 119 65.105 59.040 56.600 944 H LEU 120 H LEU 120 62.174 54.815 58.751 945 HA LEU 120 HA LEU 120 60.522 56.554 60.538 946 1HB LEU 120 2HB LEU 120 60.351 53.852 59.480 947 2HB LEU 120 1HB LEU 120 59.789 53.969 61.257 948 HG LEU 120 HG LEU 120 58.782 55.166 58.691 949 1HD1 LEU 120 1HD1 LEU 120 57.377 53.246 59.364 950 2HD1 LEU 120 2HD1 LEU 120 56.489 54.719 60.001 951 3HD1 LEU 120 3HD1 LEU 120 57.446 53.769 61.128 952 1HD2 LEU 120 1HD2 LEU 120 58.629 56.428 61.459 953 2HD2 LEU 120 2HD2 LEU 120 57.080 56.486 60.548 954 3HD2 LEU 120 3HD2 LEU 120 58.575 57.239 59.857 955 H THR 121 H THR 121 61.222 56.951 62.370 956 HA THR 121 HA THR 121 63.393 55.253 63.593 957 HB THR 121 HB THR 121 63.587 57.299 65.253 958 HG1 THR 121 1HG THR 121 62.472 59.016 63.565 959 1HG2 THR 121 1HG2 THR 121 64.995 56.755 62.990 960 2HG2 THR 121 2HG2 THR 121 65.056 58.426 63.641 961 3HG2 THR 121 3HG2 THR 121 64.035 58.073 62.211 962 H CYS 122 H CYS 122 60.325 54.918 63.482 963 HA CYS 122 HA CYS 122 59.140 54.956 66.009 964 1HB CYS 122 2HB CYS 122 57.648 53.289 65.033 965 2HB CYS 122 1HB CYS 122 58.263 54.078 63.585 966 HG CYS 122 HG CYS 122 58.960 52.118 62.462 967 H GLY 123 H GLY 123 58.865 53.613 67.573 968 1HA GLY 123 1HA GLY 123 59.601 52.233 69.420 969 2HA GLY 123 2HA GLY 123 60.075 51.128 68.057 970 H ASP 124 H ASP 124 61.551 50.604 69.796 971 HA ASP 124 HA ASP 124 63.916 52.261 70.381 972 1HB ASP 124 2HB ASP 124 63.090 49.329 70.490 973 2HB ASP 124 1HB ASP 124 64.841 49.768 70.801 974 H GLN 125 H GLN 125 63.090 49.567 68.221 975 HA GLN 125 HA GLN 125 65.726 49.999 66.800 976 1HB GLN 125 2HB GLN 125 65.497 47.705 66.835 977 2HB GLN 125 1HB GLN 125 63.712 47.764 67.098 978 1HG GLN 125 2HG GLN 125 63.215 48.094 64.765 979 2HG GLN 125 1HG GLN 125 64.995 48.567 64.485 980 1HE2 GLN 125 1HE2 GLN 125 66.534 46.921 65.189 981 2HE2 GLN 125 2HE2 GLN 125 66.116 45.115 64.856 982 H VAL 126 H VAL 126 65.905 51.070 65.110 983 HA VAL 126 HA VAL 126 63.732 52.601 63.909 984 HB VAL 126 HB VAL 126 66.802 52.136 63.374 985 1HG1 VAL 126 1HG1 VAL 126 66.497 53.432 61.457 986 2HG1 VAL 126 2HG1 VAL 126 65.809 54.722 62.511 987 3HG1 VAL 126 3HG1 VAL 126 64.713 53.473 61.704 988 1HG2 VAL 126 1HG2 VAL 126 65.852 53.104 65.521 989 2HG2 VAL 126 2HG2 VAL 126 65.188 54.471 64.571 990 3HG2 VAL 126 3HG2 VAL 126 67.008 54.196 64.668 991 H CYS 127 H CYS 127 62.984 52.422 61.661 992 HA CYS 127 HA CYS 127 63.950 50.032 60.068 993 1HB CYS 127 2HB CYS 127 61.766 49.230 59.756 994 2HB CYS 127 1HB CYS 127 61.572 49.804 61.446 995 HG CYS 127 HG CYS 127 59.537 50.795 60.772 996 H ARG 128 H ARG 128 63.431 50.213 57.883 997 HA ARG 128 HA ARG 128 63.637 53.227 57.185 998 1HB ARG 128 2HB ARG 128 65.659 52.206 56.608 999 2HB ARG 128 1HB ARG 128 64.807 50.755 55.833 1000 1HG ARG 128 2HG ARG 128 63.912 52.014 54.091 1001 2HG ARG 128 1HG ARG 128 64.340 53.609 54.788 1002 1HD ARG 128 2HD ARG 128 66.311 51.402 53.783 1003 2HD ARG 128 1HD ARG 128 65.951 52.974 52.905 1004 HE ARG 128 HE ARG 128 67.404 52.651 55.516 1005 1HH1 ARG 128 2HH2 ARG 128 66.712 54.687 52.591 1006 2HH1 ARG 128 1HH2 ARG 128 67.962 55.821 53.056 1007 1HH2 ARG 128 2HH1 ARG 128 68.993 54.272 55.965 1008 2HH2 ARG 128 1HH1 ARG 128 69.147 55.623 54.846 1009 H GLN 129 H GLN 129 61.934 54.041 56.445 1010 HA GLN 129 HA GLN 129 59.992 52.281 55.017 1011 1HB GLN 129 2HB GLN 129 59.706 54.418 56.616 1012 2HB GLN 129 1HB GLN 129 59.714 55.305 55.009 1013 1HG GLN 129 2HG GLN 129 57.513 54.934 55.046 1014 2HG GLN 129 1HG GLN 129 57.998 53.221 54.448 1015 1HE2 GLN 129 2HE2 GLN 129 58.771 51.964 56.523 1016 2HE2 GLN 129 1HE2 GLN 129 57.644 51.929 57.910 1017 H VAL 130 H VAL 130 58.973 53.196 52.745 1018 HA VAL 130 HA VAL 130 61.113 54.483 51.144 1019 HB VAL 130 HB VAL 130 59.961 51.712 50.300 1020 1HG1 VAL 130 1HG1 VAL 130 60.966 52.104 48.277 1021 2HG1 VAL 130 2HG1 VAL 130 62.298 53.126 48.974 1022 3HG1 VAL 130 3HG1 VAL 130 60.571 53.772 48.680 1023 1HG2 VAL 130 1HG2 VAL 130 61.924 50.626 50.732 1024 2HG2 VAL 130 2HG2 VAL 130 62.038 51.894 52.042 1025 3HG2 VAL 130 3HG2 VAL 130 62.931 52.173 50.540 1026 H PHE 131 H PHE 131 60.222 55.763 49.971 1027 HA PHE 131 HA PHE 131 57.290 55.478 49.230 1028 1HB PHE 131 2HB PHE 131 59.097 57.662 50.343 1029 2HB PHE 131 1HB PHE 131 57.932 58.206 49.067 1030 HD1 PHE 131 HD1 PHE 131 57.611 55.756 51.893 1031 HD2 PHE 131 HD2 PHE 131 56.238 59.299 49.946 1032 HE1 PHE 131 HE1 PHE 131 55.686 55.871 53.631 1033 HE2 PHE 131 HE2 PHE 131 54.376 59.416 51.634 1034 HZ PHE 131 HZ PHE 131 54.144 57.698 53.434 1035 H LYS 132 H LYS 132 56.522 56.283 47.300 1036 HA LYS 132 HA LYS 132 58.509 57.286 45.244 1037 1HB LYS 132 2HB LYS 132 57.976 54.825 44.702 1038 2HB LYS 132 1HB LYS 132 56.261 55.144 45.120 1039 1HG LYS 132 2HG LYS 132 57.141 57.106 43.103 1040 2HG LYS 132 1HG LYS 132 57.471 55.399 42.523 1041 1HD LYS 132 2HD LYS 132 54.909 56.368 43.820 1042 2HD LYS 132 1HD LYS 132 55.092 56.115 41.981 1043 1HE LYS 132 2HE LYS 132 55.912 53.819 43.681 1044 2HE LYS 132 1HE LYS 132 54.156 54.136 43.739 1045 1HZ LYS 132 1HZ LYS 132 54.024 53.715 41.484 1046 2HZ LYS 132 2HZ LYS 132 55.359 52.758 41.861 1047 3HZ LYS 132 3HZ LYS 132 55.536 54.241 41.088 1048 H LYS 133 H LYS 133 57.729 59.158 44.517 1049 HA LYS 133 HA LYS 133 54.750 59.744 45.066 1050 1HB LYS 133 2HB LYS 133 55.582 62.110 45.385 1051 2HB LYS 133 1HB LYS 133 56.182 60.781 46.523 1052 1HG LYS 133 2HG LYS 133 58.400 61.057 45.645 1053 2HG LYS 133 1HG LYS 133 57.734 61.581 44.021 1054 1HD LYS 133 2HD LYS 133 57.216 63.457 46.308 1055 2HD LYS 133 1HD LYS 133 58.905 63.319 45.675 1056 1HE LYS 133 2HE LYS 133 58.071 63.583 43.345 1057 2HE LYS 133 1HE LYS 133 56.363 63.662 44.000 1058 1HZ LYS 133 1HZ LYS 133 58.362 65.625 44.969 1059 2HZ LYS 133 2HZ LYS 133 56.710 65.816 44.782 1060 3HZ LYS 133 3HZ LYS 133 57.735 65.834 43.460 1061 H LYS 134 H LYS 134 53.872 61.497 43.966 1062 HA LYS 134 HA LYS 134 55.051 62.051 41.353 1063 1HB LYS 134 2HB LYS 134 52.996 59.892 41.849 1064 2HB LYS 134 1HB LYS 134 52.409 60.998 40.576 1065 1HG LYS 134 2HG LYS 134 53.812 59.815 39.189 1066 2HG LYS 134 1HG LYS 134 55.250 60.451 40.114 1067 1HD LYS 134 2HD LYS 134 54.499 58.529 41.873 1068 2HD LYS 134 1HD LYS 134 53.788 57.790 40.359 1069 1HE LYS 134 2HE LYS 134 56.507 58.964 40.015 1070 2HE LYS 134 1HE LYS 134 56.382 57.404 41.013 1071 1HZ LYS 134 1HZ LYS 134 55.132 57.738 38.352 1072 2HZ LYS 134 2HZ LYS 134 55.430 56.301 39.187 1073 3HZ LYS 134 3HZ LYS 134 56.678 57.173 38.531 1074 1H2 RTL 135 1H2 RET 135 45.860 51.754 58.322 1075 2H2 RTL 135 2H2 RET 135 46.325 52.132 59.904 1076 1H3 RTL 135 1H3 RET 135 46.114 49.629 59.677 1077 2H3 RTL 135 2H3 RET 135 47.122 49.597 58.331 1078 1H4 RTL 135 1H4 RET 135 48.538 48.999 60.198 1079 2H4 RTL 135 2H4 RET 135 47.866 50.201 61.228 1080 H7 RTL 135 H7 RET 135 51.108 52.376 58.264 1081 H8 RTL 135 H8 RET 135 49.494 54.604 59.730 1082 H10 RTL 135 H10 RET 135 49.957 56.302 57.762 1083 H11 RTL 135 H11 RET 135 52.746 56.822 57.124 1084 H12 RTL 135 H12 RET 135 51.079 58.960 58.644 1085 H14 RTL 135 H14 RET 135 51.426 60.659 56.609 1086 1H15 RTL 135 1H15 RET 135 53.033 61.888 55.349 1087 2H15 RTL 135 2H15 RET 135 54.354 61.485 56.501 1088 HO1 RTL 135 H51 RET 135 52.283 63.260 56.713 1089 1H16 RTL 135 1H16 RET 135 47.444 51.196 56.697 1090 2H16 RTL 135 2H16 RET 135 49.103 51.729 56.726 1091 3H16 RTL 135 3H16 RET 135 47.788 52.876 56.411 1092 1H17 RTL 135 1H17 RET 135 46.737 53.904 57.764 1093 2H17 RTL 135 2H17 RET 135 48.463 54.221 57.626 1094 3H17 RTL 135 3H17 RET 135 47.636 54.327 59.194 1095 1H18 RTL 135 1H18 RET 135 50.413 49.320 60.795 1096 2H18 RTL 135 2H18 RET 135 50.616 50.863 61.645 1097 3H18 RTL 135 3H18 RET 135 51.439 50.518 60.085 1098 1H19 RTL 135 1H19 RET 135 53.244 55.745 59.572 1099 2H19 RTL 135 2H19 RET 135 53.268 54.192 58.705 1100 3H19 RTL 135 3H19 RET 135 52.573 54.331 60.349 1101 1H20 RTL 135 1H20 RET 135 54.237 59.264 59.250 1102 2H20 RTL 135 2H20 RET 135 54.896 59.997 57.765 1103 3H20 RTL 135 3H20 RET 135 54.570 58.259 57.823 Start of MODEL 11 1 1H MET 1 1H MET 1 67.695 74.027 43.890 2 2H MET 1 2H MET 1 66.470 74.686 42.965 3 3H MET 1 3H MET 1 67.339 73.308 42.476 4 HA MET 1 HA MET 1 65.004 72.766 43.247 5 1HB MET 1 2HB MET 1 65.755 71.025 44.942 6 2HB MET 1 1HB MET 1 66.723 70.986 43.397 7 1HG MET 1 2HG MET 1 67.811 72.847 45.508 8 2HG MET 1 1HG MET 1 67.932 71.161 45.889 9 1HE MET 1 1HE MET 1 68.882 69.603 42.559 10 2HE MET 1 2HE MET 1 68.303 69.389 44.275 11 3HE MET 1 3HE MET 1 69.976 69.351 44.010 12 H THR 2 H THR 2 63.599 72.593 44.861 13 HA THR 2 HA THR 2 64.223 73.991 47.478 14 HB THR 2 HB THR 2 61.587 74.937 46.634 15 HG1 THR 2 1HG THR 2 61.803 75.464 44.633 16 1HG2 THR 2 1HG2 THR 2 63.672 76.000 48.026 17 2HG2 THR 2 2HG2 THR 2 62.765 77.155 47.041 18 3HG2 THR 2 3HG2 THR 2 64.304 76.462 46.402 19 H LYS 3 H LYS 3 62.514 73.858 48.978 20 HA LYS 3 HA LYS 3 61.569 71.067 49.170 21 1HB LYS 3 2HB LYS 3 60.573 71.779 51.267 22 2HB LYS 3 1HB LYS 3 62.046 72.824 51.106 23 1HG LYS 3 2HG LYS 3 60.406 74.446 49.862 24 2HG LYS 3 1HG LYS 3 59.087 73.397 50.483 25 1HD LYS 3 2HD LYS 3 59.556 74.042 52.824 26 2HD LYS 3 1HD LYS 3 61.245 74.530 52.385 27 1HE LYS 3 2HE LYS 3 60.275 76.440 51.110 28 2HE LYS 3 1HE LYS 3 58.602 75.876 51.705 29 1HZ LYS 3 1HZ LYS 3 60.393 77.584 53.013 30 2HZ LYS 3 2HZ LYS 3 60.712 76.138 53.726 31 3HZ LYS 3 3HZ LYS 3 59.162 76.779 53.779 32 H ASP 4 H ASP 4 59.448 70.216 49.360 33 HA ASP 4 HA ASP 4 57.258 71.868 48.320 34 1HB ASP 4 2HB ASP 4 57.491 69.171 46.897 35 2HB ASP 4 1HB ASP 4 56.790 70.790 46.364 36 H GLN 5 H GLN 5 55.338 71.073 49.484 37 HA GLN 5 HA GLN 5 55.869 68.571 51.020 38 1HB GLN 5 2HB GLN 5 54.266 71.171 51.201 39 2HB GLN 5 1HB GLN 5 53.516 69.694 52.002 40 1HG GLN 5 2HG GLN 5 56.375 69.886 52.557 41 2HG GLN 5 1HG GLN 5 55.465 71.399 53.146 42 1HE2 GLN 5 2HE2 GLN 5 54.575 71.285 55.082 43 2HE2 GLN 5 1HE2 GLN 5 54.057 69.815 55.879 44 H ASN 6 H ASN 6 53.019 70.146 49.730 45 HA ASN 6 HA ASN 6 51.231 68.271 49.117 46 1HB ASN 6 2HB ASN 6 51.428 69.406 46.511 47 2HB ASN 6 1HB ASN 6 50.372 70.018 47.872 48 1HD2 ASN 6 2HD2 ASN 6 50.629 71.814 48.631 49 2HD2 ASN 6 1HD2 ASN 6 52.144 72.924 48.333 50 H GLY 7 H GLY 7 51.069 66.350 48.349 51 1HA GLY 7 1HA GLY 7 51.857 65.620 45.685 52 2HA GLY 7 2HA GLY 7 53.174 65.151 46.845 53 H THR 8 H THR 8 52.242 63.270 45.481 54 HA THR 8 HA THR 8 50.591 61.648 47.321 55 HB THR 8 HB THR 8 50.533 61.448 44.186 56 HG1 THR 8 1HG THR 8 48.572 62.268 44.494 57 1HG2 THR 8 1HG2 THR 8 50.148 59.195 45.405 58 2HG2 THR 8 2HG2 THR 8 48.466 59.942 45.228 59 3HG2 THR 8 3HG2 THR 8 49.412 60.076 46.779 60 H TRP 9 H TRP 9 51.192 59.623 47.440 61 HA TRP 9 HA TRP 9 53.744 58.711 46.242 62 1HB TRP 9 2HB TRP 9 54.551 58.641 48.933 63 2HB TRP 9 1HB TRP 9 55.301 59.461 47.503 64 HD1 TRP 9 HD1 TRP 9 52.157 60.061 49.718 65 HE1 TRP 9 HE1 TRP 9 51.910 62.587 50.372 66 HE3 TRP 9 HE3 TRP 9 56.150 61.501 47.393 67 HZ2 TRP 9 HZ2 TRP 9 53.470 64.826 49.793 68 HZ3 TRP 9 HZ3 TRP 9 56.873 63.869 47.375 69 HH2 TRP 9 HH2 TRP 9 55.568 65.486 48.539 70 H GLU 10 H GLU 10 52.037 57.136 45.720 71 HA GLU 10 HA GLU 10 50.857 55.354 47.465 72 1HB GLU 10 2HB GLU 10 51.846 55.169 44.589 73 2HB GLU 10 1HB GLU 10 51.628 53.584 45.521 74 1HG GLU 10 2HG GLU 10 49.373 55.331 46.050 75 2HG GLU 10 1HG GLU 10 49.810 55.340 44.229 76 H MET 11 H MET 11 52.044 54.992 49.145 77 HA MET 11 HA MET 11 54.649 54.357 49.780 78 1HB MET 11 2HB MET 11 51.910 53.566 50.842 79 2HB MET 11 1HB MET 11 53.175 52.336 51.157 80 1HG MET 11 2HG MET 11 54.649 54.286 52.062 81 2HG MET 11 1HG MET 11 53.298 55.334 51.735 82 1HE MET 11 1HE MET 11 53.357 51.577 54.559 83 2HE MET 11 2HE MET 11 54.166 51.859 52.951 84 3HE MET 11 3HE MET 11 52.470 51.489 53.010 85 H GLU 12 H GLU 12 56.087 53.230 48.982 86 HA GLU 12 HA GLU 12 55.620 50.865 47.267 87 1HB GLU 12 2HB GLU 12 57.647 52.091 46.677 88 2HB GLU 12 1HB GLU 12 58.137 52.166 48.441 89 1HG GLU 12 2HG GLU 12 58.712 49.900 48.524 90 2HG GLU 12 1HG GLU 12 57.515 49.540 47.132 91 H SER 13 H SER 13 57.172 51.506 50.475 92 HA SER 13 HA SER 13 56.035 49.315 51.905 93 1HB SER 13 2HB SER 13 58.059 48.496 49.862 94 2HB SER 13 1HB SER 13 58.427 47.989 51.632 95 HG SER 13 HG SER 13 56.026 47.607 50.229 96 H ASN 14 H ASN 14 57.221 48.547 53.540 97 HA ASN 14 HA ASN 14 59.135 50.511 54.797 98 1HB ASN 14 2HB ASN 14 58.108 48.156 56.463 99 2HB ASN 14 1HB ASN 14 58.117 49.960 56.834 100 1HD2 ASN 14 1HD2 ASN 14 56.832 47.393 55.000 101 2HD2 ASN 14 2HD2 ASN 14 55.054 48.068 54.837 102 H GLU 15 H GLU 15 60.730 49.819 56.118 103 HA GLU 15 HA GLU 15 61.995 47.511 54.703 104 1HB GLU 15 2HB GLU 15 62.855 50.107 55.917 105 2HB GLU 15 1HB GLU 15 64.004 48.826 56.444 106 1HG GLU 15 2HG GLU 15 64.968 49.381 54.416 107 2HG GLU 15 1HG GLU 15 63.649 48.120 53.830 108 H ASN 16 H ASN 16 61.297 48.627 58.027 109 HA ASN 16 HA ASN 16 61.888 45.800 58.973 110 1HB ASN 16 2HB ASN 16 62.646 48.515 60.195 111 2HB ASN 16 1HB ASN 16 62.140 47.074 61.256 112 1HD2 ASN 16 2HD2 ASN 16 63.841 46.587 62.073 113 2HD2 ASN 16 1HD2 ASN 16 65.358 45.979 61.110 114 H PHE 17 H PHE 17 59.843 45.731 58.042 115 HA PHE 17 HA PHE 17 57.317 46.724 58.853 116 1HB PHE 17 2HB PHE 17 57.317 43.786 59.115 117 2HB PHE 17 1HB PHE 17 56.366 44.891 58.059 118 HD1 PHE 17 HD1 PHE 17 58.974 42.472 58.221 119 HD2 PHE 17 HD2 PHE 17 57.708 45.918 56.053 120 HE1 PHE 17 HE1 PHE 17 60.432 41.818 56.323 121 HE2 PHE 17 HE2 PHE 17 59.184 45.270 54.142 122 HZ PHE 17 HZ PHE 17 60.552 43.213 54.258 123 H GLU 18 H GLU 18 59.469 44.381 60.498 124 HA GLU 18 HA GLU 18 57.707 43.823 62.739 125 1HB GLU 18 2HB GLU 18 60.712 43.592 61.969 126 2HB GLU 18 1HB GLU 18 60.206 43.460 63.697 127 1HG GLU 18 2HG GLU 18 58.540 41.693 63.146 128 2HG GLU 18 1HG GLU 18 59.282 41.638 61.395 129 H GLY 19 H GLY 19 60.298 46.330 62.328 130 1HA GLY 19 1HA GLY 19 60.050 46.837 65.255 131 2HA GLY 19 2HA GLY 19 60.953 47.913 64.148 132 H TYR 20 H TYR 20 58.376 47.862 62.386 133 HA TYR 20 HA TYR 20 57.324 50.359 63.412 134 1HB TYR 20 2HB TYR 20 57.106 48.562 61.069 135 2HB TYR 20 1HB TYR 20 55.448 48.687 61.756 136 HD1 TYR 20 HD1 TYR 20 55.737 51.633 62.825 137 HD2 TYR 20 HD2 TYR 20 56.507 49.523 59.139 138 HE1 TYR 20 HE1 TYR 20 55.243 53.715 61.514 139 HE2 TYR 20 HE2 TYR 20 56.057 51.540 57.790 140 HH TYR 20 HH TYR 20 54.678 53.634 58.204 141 H MET 21 H MET 21 56.346 47.013 63.347 142 HA MET 21 HA MET 21 53.839 47.345 64.756 143 1HB MET 21 2HB MET 21 54.755 45.514 63.062 144 2HB MET 21 1HB MET 21 55.883 45.076 64.373 145 1HG MET 21 2HG MET 21 52.927 45.165 65.108 146 2HG MET 21 1HG MET 21 53.303 43.852 64.003 147 1HE MET 21 1HE MET 21 55.192 41.179 65.613 148 2HE MET 21 2HE MET 21 55.353 42.315 64.188 149 3HE MET 21 3HE MET 21 53.810 41.769 64.575 150 H LYS 22 H LYS 22 57.084 47.085 65.561 151 HA LYS 22 HA LYS 22 56.594 46.105 68.294 152 1HB LYS 22 2HB LYS 22 58.723 45.552 66.805 153 2HB LYS 22 1HB LYS 22 59.139 47.335 67.005 154 1HG LYS 22 2HG LYS 22 60.411 46.453 68.665 155 2HG LYS 22 1HG LYS 22 58.838 46.816 69.573 156 1HD LYS 22 2HD LYS 22 58.741 44.163 68.223 157 2HD LYS 22 1HD LYS 22 60.264 44.263 69.219 158 1HE LYS 22 2HE LYS 22 58.779 45.070 71.167 159 2HE LYS 22 1HE LYS 22 57.335 44.647 70.178 160 1HZ LYS 22 1HZ LYS 22 59.521 42.736 70.460 161 2HZ LYS 22 2HZ LYS 22 57.889 42.397 70.234 162 3HZ LYS 22 3HZ LYS 22 58.437 42.832 71.741 163 H ALA 23 H ALA 23 57.054 48.935 66.587 164 HA ALA 23 HA ALA 23 57.418 50.592 69.023 165 1HB ALA 23 1HB ALA 23 58.247 51.813 67.337 166 2HB ALA 23 2HB ALA 23 56.517 52.261 66.907 167 3HB ALA 23 3HB ALA 23 57.395 50.905 66.041 168 H LEU 24 H LEU 24 54.968 49.249 67.213 169 HA LEU 24 HA LEU 24 52.816 50.572 68.904 170 1HB LEU 24 2HB LEU 24 53.249 51.652 66.496 171 2HB LEU 24 1HB LEU 24 52.840 50.057 65.804 172 HG LEU 24 HG LEU 24 50.536 50.083 66.635 173 1HD1 LEU 24 1HD1 LEU 24 50.251 52.791 67.546 174 2HD1 LEU 24 2HD1 LEU 24 51.589 52.089 68.515 175 3HD1 LEU 24 3HD1 LEU 24 49.983 51.252 68.490 176 1HD2 LEU 24 1HD2 LEU 24 51.148 52.831 65.396 177 2HD2 LEU 24 2HD2 LEU 24 49.625 51.895 65.211 178 3HD2 LEU 24 3HD2 LEU 24 51.132 51.269 64.481 179 H ASP 25 H ASP 25 52.357 48.816 69.912 180 HA ASP 25 HA ASP 25 51.957 46.156 68.677 181 1HB ASP 25 2HB ASP 25 52.858 46.337 71.020 182 2HB ASP 25 1HB ASP 25 51.359 47.238 71.539 183 H ILE 26 H ILE 26 50.739 47.188 67.150 184 HA ILE 26 HA ILE 26 47.957 47.765 67.968 185 HB ILE 26 HB ILE 26 48.702 49.235 66.329 186 1HG1 ILE 26 2HG1 ILE 26 47.136 47.264 64.583 187 2HG1 ILE 26 1HG1 ILE 26 46.455 48.129 65.999 188 1HG2 ILE 26 1HG2 ILE 26 50.629 48.437 65.198 189 2HG2 ILE 26 2HG2 ILE 26 49.356 48.154 63.979 190 3HG2 ILE 26 3HG2 ILE 26 49.901 46.742 65.006 191 1HD1 ILE 26 1HD1 ILE 26 47.245 50.380 65.100 192 2HD1 ILE 26 2HD1 ILE 26 46.180 49.613 63.837 193 3HD1 ILE 26 3HD1 ILE 26 47.931 49.554 63.677 194 H ASP 27 H ASP 27 49.875 45.379 66.461 195 HA ASP 27 HA ASP 27 48.913 43.015 67.114 196 1HB ASP 27 2HB ASP 27 46.553 43.357 66.645 197 2HB ASP 27 1HB ASP 27 46.974 44.082 64.989 198 H PHE 28 H PHE 28 49.541 41.255 65.652 199 HA PHE 28 HA PHE 28 51.851 42.119 64.115 200 1HB PHE 28 2HB PHE 28 50.337 39.387 64.213 201 2HB PHE 28 1HB PHE 28 52.080 39.695 63.756 202 HD1 PHE 28 HD1 PHE 28 52.275 41.837 66.095 203 HD2 PHE 28 HD2 PHE 28 50.992 37.731 65.979 204 HE1 PHE 28 HE1 PHE 28 52.866 41.579 68.574 205 HE2 PHE 28 HE2 PHE 28 51.568 37.492 68.321 206 HZ PHE 28 HZ PHE 28 52.508 39.375 69.684 207 H ALA 29 H ALA 29 48.567 41.183 63.203 208 HA ALA 29 HA ALA 29 49.154 40.585 60.349 209 1HB ALA 29 1HB ALA 29 46.545 41.581 61.740 210 2HB ALA 29 2HB ALA 29 47.078 39.847 61.666 211 3HB ALA 29 3HB ALA 29 46.689 40.761 60.137 212 H THR 30 H THR 30 48.704 43.385 62.289 213 HA THR 30 HA THR 30 47.832 45.242 60.447 214 HB THR 30 HB THR 30 49.827 45.668 62.736 215 HG1 THR 30 1HG THR 30 47.031 45.982 62.771 216 1HG2 THR 30 1HG2 THR 30 49.639 47.861 61.924 217 2HG2 THR 30 2HG2 THR 30 47.914 47.802 62.517 218 3HG2 THR 30 3HG2 THR 30 48.246 47.375 60.793 219 H ARG 31 H ARG 31 51.028 44.353 61.312 220 HA ARG 31 HA ARG 31 52.415 46.180 59.457 221 1HB ARG 31 2HB ARG 31 54.087 45.980 60.835 222 2HB ARG 31 1HB ARG 31 53.175 44.763 61.807 223 1HG ARG 31 2HG ARG 31 54.736 43.783 59.301 224 2HG ARG 31 1HG ARG 31 55.553 44.091 60.867 225 1HD ARG 31 2HD ARG 31 53.388 42.759 61.816 226 2HD ARG 31 1HD ARG 31 53.353 42.008 60.185 227 HE ARG 31 HE ARG 31 55.341 41.578 62.272 228 1HH1 ARG 31 2HH1 ARG 31 54.591 41.638 58.785 229 2HH1 ARG 31 1HH1 ARG 31 55.839 40.462 58.310 230 1HH2 ARG 31 2HH2 ARG 31 56.972 40.039 61.646 231 2HH2 ARG 31 1HH2 ARG 31 57.246 39.507 59.964 232 H LYS 32 H LYS 32 51.392 42.648 59.437 233 HA LYS 32 HA LYS 32 53.097 42.160 57.143 234 1HB LYS 32 2HB LYS 32 52.701 40.142 58.108 235 2HB LYS 32 1HB LYS 32 51.161 40.740 58.870 236 1HG LYS 32 2HG LYS 32 50.044 40.482 56.527 237 2HG LYS 32 1HG LYS 32 51.559 39.727 55.957 238 1HD LYS 32 2HD LYS 32 51.356 37.766 57.242 239 2HD LYS 32 1HD LYS 32 50.601 38.649 58.575 240 1HE LYS 32 2HE LYS 32 48.412 38.356 57.705 241 2HE LYS 32 1HE LYS 32 48.997 38.756 56.031 242 1HZ LYS 32 1HZ LYS 32 49.811 36.592 55.753 243 2HZ LYS 32 2HZ LYS 32 48.270 36.386 56.332 244 3HZ LYS 32 3HZ LYS 32 49.560 36.226 57.370 245 H ILE 33 H ILE 33 49.851 43.414 57.862 246 HA ILE 33 HA ILE 33 48.960 42.992 55.109 247 HB ILE 33 HB ILE 33 47.951 44.601 57.539 248 1HG1 ILE 33 2HG1 ILE 33 46.621 42.872 57.980 249 2HG1 ILE 33 1HG1 ILE 33 45.856 43.025 56.348 250 1HG2 ILE 33 1HG2 ILE 33 46.929 44.672 54.604 251 2HG2 ILE 33 2HG2 ILE 33 47.434 46.046 55.687 252 3HG2 ILE 33 3HG2 ILE 33 45.917 45.190 56.040 253 1HD1 ILE 33 1HD1 ILE 33 47.730 41.498 55.351 254 2HD1 ILE 33 2HD1 ILE 33 46.823 40.760 56.714 255 3HD1 ILE 33 3HD1 ILE 33 48.465 41.422 57.018 256 H ALA 34 H ALA 34 50.062 45.657 57.108 257 HA ALA 34 HA ALA 34 49.878 47.675 55.001 258 1HB ALA 34 1HB ALA 34 51.887 47.655 57.431 259 2HB ALA 34 2HB ALA 34 50.106 48.017 57.603 260 3HB ALA 34 3HB ALA 34 51.179 49.088 56.657 261 H VAL 35 H VAL 35 52.129 45.244 55.812 262 HA VAL 35 HA VAL 35 54.546 46.239 54.805 263 HB VAL 35 HB VAL 35 53.309 43.608 55.398 264 1HG1 VAL 35 1HG1 VAL 35 55.592 43.909 53.282 265 2HG1 VAL 35 2HG1 VAL 35 54.077 42.909 53.036 266 3HG1 VAL 35 3HG1 VAL 35 55.283 42.385 54.218 267 1HG2 VAL 35 1HG2 VAL 35 55.055 43.627 56.906 268 2HG2 VAL 35 2HG2 VAL 35 55.379 45.291 56.291 269 3HG2 VAL 35 3HG2 VAL 35 56.243 43.883 55.547 270 H ARG 36 H ARG 36 51.858 44.716 53.215 271 HA ARG 36 HA ARG 36 53.218 45.087 50.518 272 1HB ARG 36 2HB ARG 36 52.054 43.140 49.719 273 2HB ARG 36 1HB ARG 36 52.713 42.675 51.349 274 1HG ARG 36 2HG ARG 36 49.987 43.765 51.683 275 2HG ARG 36 1HG ARG 36 49.972 42.554 50.330 276 1HD ARG 36 2HD ARG 36 51.552 41.756 52.743 277 2HD ARG 36 1HD ARG 36 49.813 41.937 53.056 278 HE ARG 36 HE ARG 36 49.507 40.606 50.813 279 1HH1 ARG 36 2HH2 ARG 36 52.291 39.820 53.174 280 2HH1 ARG 36 1HH2 ARG 36 52.253 38.165 52.513 281 1HH2 ARG 36 2HH1 ARG 36 49.731 38.533 50.210 282 2HH2 ARG 36 1HH1 ARG 36 50.932 37.449 50.956 283 H LEU 37 H LEU 37 50.622 46.017 52.452 284 HA LEU 37 HA LEU 37 48.572 46.111 50.416 285 1HB LEU 37 2HB LEU 37 49.119 47.305 53.195 286 2HB LEU 37 1HB LEU 37 48.161 48.379 52.102 287 HG LEU 37 HG LEU 37 47.018 46.549 53.645 288 1HD1 LEU 37 1HD1 LEU 37 45.040 47.010 52.514 289 2HD1 LEU 37 2HD1 LEU 37 45.815 46.722 50.906 290 3HD1 LEU 37 3HD1 LEU 37 46.138 48.299 51.824 291 1HD2 LEU 37 1HD2 LEU 37 47.025 45.017 50.964 292 2HD2 LEU 37 2HD2 LEU 37 46.654 44.424 52.672 293 3HD2 LEU 37 3HD2 LEU 37 48.379 44.799 52.110 294 H THR 38 H THR 38 51.526 47.874 50.549 295 HA THR 38 HA THR 38 52.107 49.871 49.707 296 HB THR 38 HB THR 38 51.318 49.440 47.038 297 HG1 THR 38 1HG THR 38 50.158 47.613 47.776 298 1HG2 THR 38 1HG2 THR 38 53.439 47.993 48.811 299 2HG2 THR 38 2HG2 THR 38 53.791 49.458 47.799 300 3HG2 THR 38 3HG2 THR 38 53.402 47.853 47.015 301 H GLN 39 H GLN 39 50.211 50.876 51.071 302 HA GLN 39 HA GLN 39 47.950 51.752 49.424 303 1HB GLN 39 2HB GLN 39 47.386 52.987 51.567 304 2HB GLN 39 1HB GLN 39 47.824 51.237 51.834 305 1HG GLN 39 2HG GLN 39 50.187 52.964 51.703 306 2HG GLN 39 1HG GLN 39 48.968 53.594 52.956 307 1HE2 GLN 39 2HE2 GLN 39 50.034 53.070 54.733 308 2HE2 GLN 39 1HE2 GLN 39 50.404 51.387 55.255 309 H THR 40 H THR 40 47.294 53.974 49.863 310 HA THR 40 HA THR 40 49.186 55.868 48.507 311 HB THR 40 HB THR 40 46.118 55.848 48.506 312 HG1 THR 40 1HG THR 40 47.320 54.220 47.240 313 1HG2 THR 40 1HG2 THR 40 46.348 57.637 46.794 314 2HG2 THR 40 2HG2 THR 40 48.149 57.394 46.765 315 3HG2 THR 40 3HG2 THR 40 47.295 58.169 48.216 316 H LYS 41 H LYS 41 49.420 57.839 48.987 317 HA LYS 41 HA LYS 41 48.017 59.015 51.391 318 1HB LYS 41 2HB LYS 41 50.074 57.637 52.325 319 2HB LYS 41 1HB LYS 41 51.111 58.594 51.175 320 1HG LYS 41 2HG LYS 41 49.854 60.579 52.676 321 2HG LYS 41 1HG LYS 41 50.012 59.231 53.877 322 1HD LYS 41 2HD LYS 41 52.297 59.654 54.009 323 2HD LYS 41 1HD LYS 41 52.457 59.534 52.195 324 1HE LYS 41 2HE LYS 41 53.005 61.631 52.261 325 2HE LYS 41 1HE LYS 41 51.214 62.002 52.505 326 1HZ LYS 41 1HZ LYS 41 52.972 61.418 54.861 327 2HZ LYS 41 2HZ LYS 41 51.700 62.515 54.628 328 3HZ LYS 41 3HZ LYS 41 53.221 62.856 54.073 329 H ILE 42 H ILE 42 48.235 61.267 51.621 330 HA ILE 42 HA ILE 42 50.104 62.623 49.790 331 HB ILE 42 HB ILE 42 48.794 62.424 47.918 332 1HG1 ILE 42 2HG1 ILE 42 46.892 64.492 48.934 333 2HG1 ILE 42 1HG1 ILE 42 48.642 64.955 48.851 334 1HG2 ILE 42 1HG2 ILE 42 47.029 60.993 48.800 335 2HG2 ILE 42 2HG2 ILE 42 46.209 62.411 48.026 336 3HG2 ILE 42 3HG2 ILE 42 46.372 62.276 49.820 337 1HD1 ILE 42 1HD1 ILE 42 47.252 65.414 46.673 338 2HD1 ILE 42 2HD1 ILE 42 46.997 63.667 46.511 339 3HD1 ILE 42 3HD1 ILE 42 48.677 64.316 46.429 340 H ILE 43 H ILE 43 50.715 64.327 50.552 341 HA ILE 43 HA ILE 43 49.424 65.692 52.857 342 HB ILE 43 HB ILE 43 51.912 66.264 51.247 343 1HG1 ILE 43 2HG1 ILE 43 51.930 64.316 53.685 344 2HG1 ILE 43 1HG1 ILE 43 51.859 63.712 51.948 345 1HG2 ILE 43 1HG2 ILE 43 50.964 66.684 54.122 346 2HG2 ILE 43 2HG2 ILE 43 51.826 67.864 53.035 347 3HG2 ILE 43 3HG2 ILE 43 52.785 66.537 53.827 348 1HD1 ILE 43 1HD1 ILE 43 54.062 63.721 52.275 349 2HD1 ILE 43 2HD1 ILE 43 54.129 65.084 53.493 350 3HD1 ILE 43 3HD1 ILE 43 53.900 65.451 51.753 351 H VAL 44 H VAL 44 49.839 68.065 52.864 352 HA VAL 44 HA VAL 44 50.009 69.605 50.292 353 HB VAL 44 HB VAL 44 47.667 68.634 50.326 354 1HG1 VAL 44 1HG1 VAL 44 47.349 68.935 52.825 355 2HG1 VAL 44 2HG1 VAL 44 45.976 69.564 51.736 356 3HG1 VAL 44 3HG1 VAL 44 47.162 70.700 52.516 357 1HG2 VAL 44 1HG2 VAL 44 46.703 71.257 49.947 358 2HG2 VAL 44 2HG2 VAL 44 48.063 70.588 48.960 359 3HG2 VAL 44 3HG2 VAL 44 48.393 71.723 50.312 360 H GLN 45 H GLN 45 50.707 71.620 50.700 361 HA GLN 45 HA GLN 45 50.637 72.410 53.557 362 1HB GLN 45 2HB GLN 45 52.778 71.851 52.267 363 2HB GLN 45 1HB GLN 45 52.641 73.435 51.421 364 1HG GLN 45 2HG GLN 45 52.040 73.747 54.279 365 2HG GLN 45 1HG GLN 45 53.719 72.958 53.990 366 1HE2 GLN 45 2HE2 GLN 45 55.250 74.401 53.584 367 2HE2 GLN 45 1HE2 GLN 45 54.952 76.127 52.891 368 H ASP 46 H ASP 46 49.895 74.091 54.267 369 HA ASP 46 HA ASP 46 49.329 76.332 52.337 370 1HB ASP 46 2HB ASP 46 47.347 74.532 53.309 371 2HB ASP 46 1HB ASP 46 47.194 76.033 54.397 372 H GLY 47 H GLY 47 51.320 75.870 54.279 373 1HA GLY 47 1HA GLY 47 52.324 77.937 55.309 374 2HA GLY 47 2HA GLY 47 50.717 78.166 56.244 375 H ASP 48 H ASP 48 50.349 77.107 57.946 376 HA ASP 48 HA ASP 48 52.445 75.190 59.007 377 1HB ASP 48 2HB ASP 48 50.821 77.083 60.817 378 2HB ASP 48 1HB ASP 48 52.557 76.387 61.051 379 H ASN 49 H ASN 49 49.707 74.965 57.747 380 HA ASN 49 HA ASN 49 48.523 73.108 59.825 381 1HB ASN 49 2HB ASN 49 46.199 73.994 59.177 382 2HB ASN 49 1HB ASN 49 47.214 75.107 60.263 383 1HD2 ASN 49 2HD2 ASN 49 45.736 74.502 57.248 384 2HD2 ASN 49 1HD2 ASN 49 46.049 76.241 56.547 385 H PHE 50 H PHE 50 49.815 71.984 58.254 386 HA PHE 50 HA PHE 50 48.629 71.310 55.643 387 1HB PHE 50 2HB PHE 50 50.590 70.027 55.264 388 2HB PHE 50 1HB PHE 50 51.178 71.491 56.106 389 HD1 PHE 50 HD1 PHE 50 52.145 71.551 58.208 390 HD2 PHE 50 HD2 PHE 50 50.244 67.956 56.695 391 HE1 PHE 50 HE1 PHE 50 53.096 70.201 60.103 392 HE2 PHE 50 HE2 PHE 50 51.181 66.620 58.588 393 HZ PHE 50 HZ PHE 50 52.602 67.814 60.262 394 H LYS 51 H LYS 51 48.551 68.937 55.051 395 HA LYS 51 HA LYS 51 47.863 67.209 57.265 396 1HB LYS 51 2HB LYS 51 45.425 67.106 56.884 397 2HB LYS 51 1HB LYS 51 45.917 68.864 57.054 398 1HG LYS 51 2HG LYS 51 44.553 68.904 54.999 399 2HG LYS 51 1HG LYS 51 46.184 68.449 54.317 400 1HD LYS 51 2HD LYS 51 45.428 66.310 53.918 401 2HD LYS 51 1HD LYS 51 44.368 66.317 55.448 402 1HE LYS 51 2HE LYS 51 43.032 66.256 53.334 403 2HE LYS 51 1HE LYS 51 42.803 67.829 54.211 404 1HZ LYS 51 1HZ LYS 51 44.605 67.294 51.931 405 2HZ LYS 51 2HZ LYS 51 44.510 68.785 52.660 406 3HZ LYS 51 3HZ LYS 51 43.154 68.131 51.856 407 H THR 52 H THR 52 47.595 65.257 56.861 408 HA THR 52 HA THR 52 47.695 64.285 53.982 409 HB THR 52 HB THR 52 50.032 64.458 54.401 410 HG1 THR 52 1HG THR 52 49.806 62.098 55.658 411 1HG2 THR 52 1HG2 THR 52 50.851 63.418 56.820 412 2HG2 THR 52 2HG2 THR 52 49.195 64.024 57.337 413 3HG2 THR 52 3HG2 THR 52 50.333 65.173 56.629 414 H LYS 53 H LYS 53 46.820 62.342 53.704 415 HA LYS 53 HA LYS 53 46.147 60.707 56.154 416 1HB LYS 53 2HB LYS 53 44.430 60.995 53.563 417 2HB LYS 53 1HB LYS 53 43.933 60.204 55.118 418 1HG LYS 53 2HG LYS 53 42.831 62.129 55.406 419 2HG LYS 53 1HG LYS 53 44.447 62.759 55.964 420 1HD LYS 53 2HD LYS 53 44.300 64.350 54.388 421 2HD LYS 53 1HD LYS 53 44.457 62.991 53.138 422 1HE LYS 53 2HE LYS 53 41.830 64.073 54.328 423 2HE LYS 53 1HE LYS 53 42.396 64.326 52.611 424 1HZ LYS 53 1HZ LYS 53 41.080 62.515 52.428 425 2HZ LYS 53 2HZ LYS 53 41.309 61.898 53.919 426 3HZ LYS 53 3HZ LYS 53 42.496 61.692 52.759 427 H THR 54 H THR 54 45.214 58.645 55.317 428 HA THR 54 HA THR 54 47.143 57.454 53.361 429 HB THR 54 HB THR 54 47.150 55.406 54.699 430 HG1 THR 54 1HG THR 54 45.071 56.636 55.835 431 1HG2 THR 54 1HG2 THR 54 48.671 57.508 55.153 432 2HG2 THR 54 2HG2 THR 54 48.621 56.144 56.379 433 3HG2 THR 54 3HG2 THR 54 47.787 57.681 56.728 434 H ASN 55 H ASN 55 46.424 55.418 52.507 435 HA ASN 55 HA ASN 55 43.456 54.893 52.439 436 1HB ASN 55 2HB ASN 55 44.946 56.178 50.230 437 2HB ASN 55 1HB ASN 55 43.964 54.661 49.789 438 1HD2 ASN 55 1HD2 ASN 55 43.791 57.614 51.686 439 2HD2 ASN 55 2HD2 ASN 55 42.002 58.012 51.280 440 H SER 56 H SER 56 44.188 53.418 53.697 441 HA SER 56 HA SER 56 45.131 50.830 52.419 442 1HB SER 56 2HB SER 56 46.806 51.306 54.048 443 2HB SER 56 1HB SER 56 45.513 52.030 55.191 444 HG SER 56 HG SER 56 45.255 49.374 54.438 445 H THR 57 H THR 57 44.057 49.069 52.876 446 HA THR 57 HA THR 57 41.170 49.461 53.187 447 HB THR 57 HB THR 57 42.407 46.701 53.423 448 HG1 THR 57 1HG THR 57 42.234 47.816 50.900 449 1HG2 THR 57 1HG2 THR 57 39.919 47.517 53.190 450 2HG2 THR 57 2HG2 THR 57 40.453 46.091 52.181 451 3HG2 THR 57 3HG2 THR 57 40.317 47.712 51.431 452 H PHE 58 H PHE 58 43.780 48.145 55.014 453 HA PHE 58 HA PHE 58 42.419 47.187 57.347 454 1HB PHE 58 2HB PHE 58 45.207 47.661 56.647 455 2HB PHE 58 1HB PHE 58 44.910 48.604 58.156 456 HD1 PHE 58 HD1 PHE 58 45.598 47.427 60.030 457 HD2 PHE 58 HD2 PHE 58 43.588 45.320 56.911 458 HE1 PHE 58 HE1 PHE 58 45.663 45.309 61.360 459 HE2 PHE 58 HE2 PHE 58 43.645 43.272 58.232 460 HZ PHE 58 HZ PHE 58 44.698 43.234 60.497 461 H ARG 59 H ARG 59 44.178 50.310 57.380 462 HA ARG 59 HA ARG 59 41.782 51.425 58.890 463 1HB ARG 59 2HB ARG 59 44.670 51.735 59.862 464 2HB ARG 59 1HB ARG 59 43.164 52.394 60.683 465 1HG ARG 59 2HG ARG 59 43.538 49.369 60.183 466 2HG ARG 59 1HG ARG 59 44.253 50.312 61.599 467 1HD ARG 59 2HD ARG 59 42.096 51.074 62.358 468 2HD ARG 59 1HD ARG 59 41.356 50.556 60.811 469 HE ARG 59 HE ARG 59 42.593 48.322 62.143 470 1HH1 ARG 59 2HH1 ARG 59 39.720 50.620 62.324 471 2HH1 ARG 59 1HH1 ARG 59 38.714 49.463 63.123 472 1HH2 ARG 59 1HH2 ARG 59 41.129 46.856 63.225 473 2HH2 ARG 59 2HH2 ARG 59 39.479 47.342 63.631 474 H ASN 60 H ASN 60 41.516 53.432 59.021 475 HA ASN 60 HA ASN 60 43.020 55.030 56.989 476 1HB ASN 60 2HB ASN 60 40.173 55.263 58.271 477 2HB ASN 60 1HB ASN 60 40.970 56.714 57.399 478 1HD2 ASN 60 1HD2 ASN 60 39.827 53.390 57.219 479 2HD2 ASN 60 2HD2 ASN 60 39.530 53.321 55.466 480 H TYR 61 H TYR 61 44.332 56.374 57.569 481 HA TYR 61 HA TYR 61 44.031 57.589 60.334 482 1HB TYR 61 2HB TYR 61 45.670 55.578 60.248 483 2HB TYR 61 1HB TYR 61 46.626 56.531 59.042 484 HD1 TYR 61 HD1 TYR 61 44.879 57.389 62.229 485 HD2 TYR 61 HD2 TYR 61 48.637 57.339 60.102 486 HE1 TYR 61 HE1 TYR 61 45.872 58.476 64.121 487 HE2 TYR 61 HE2 TYR 61 49.703 58.507 62.077 488 HH TYR 61 HH TYR 61 47.865 59.919 64.491 489 H ASP 62 H ASP 62 45.238 59.563 60.614 490 HA ASP 62 HA ASP 62 46.533 60.854 58.263 491 1HB ASP 62 2HB ASP 62 44.844 62.877 58.742 492 2HB ASP 62 1HB ASP 62 44.402 61.487 57.571 493 H LEU 63 H LEU 63 48.067 62.034 58.710 494 HA LEU 63 HA LEU 63 48.524 62.645 61.555 495 1HB LEU 63 2HB LEU 63 50.089 62.129 59.270 496 2HB LEU 63 1HB LEU 63 50.593 63.819 59.803 497 HG LEU 63 HG LEU 63 52.038 62.335 60.978 498 1HD1 LEU 63 1HD1 LEU 63 51.629 62.972 63.163 499 2HD1 LEU 63 2HD1 LEU 63 49.889 62.511 63.081 500 3HD1 LEU 63 3HD1 LEU 63 50.515 64.082 62.361 501 1HD2 LEU 63 1HD2 LEU 63 50.991 60.184 60.440 502 2HD2 LEU 63 2HD2 LEU 63 49.462 60.698 61.210 503 3HD2 LEU 63 3HD2 LEU 63 50.912 60.305 62.270 504 H ASP 64 H ASP 64 46.319 64.117 60.631 505 HA ASP 64 HA ASP 64 46.957 66.749 59.710 506 1HB ASP 64 2HB ASP 64 44.791 65.676 61.659 507 2HB ASP 64 1HB ASP 64 44.664 67.325 60.711 508 H PHE 65 H PHE 65 48.212 68.261 60.524 509 HA PHE 65 HA PHE 65 48.014 68.994 63.344 510 1HB PHE 65 2HB PHE 65 49.178 67.127 64.064 511 2HB PHE 65 1HB PHE 65 49.876 66.848 62.405 512 HD1 PHE 65 HD1 PHE 65 52.123 67.055 62.190 513 HD2 PHE 65 HD2 PHE 65 50.059 69.303 65.260 514 HE1 PHE 65 HE1 PHE 65 54.209 67.862 62.970 515 HE2 PHE 65 HE2 PHE 65 52.197 70.184 66.112 516 HZ PHE 65 HZ PHE 65 54.342 69.472 64.971 517 H THR 66 H THR 66 49.028 70.789 63.652 518 HA THR 66 HA THR 66 49.713 72.576 61.475 519 HB THR 66 HB THR 66 50.615 73.235 64.233 520 HG1 THR 66 1HG THR 66 47.899 72.632 63.978 521 1HG2 THR 66 1HG2 THR 66 48.452 74.376 62.275 522 2HG2 THR 66 2HG2 THR 66 49.886 75.200 63.035 523 3HG2 THR 66 3HG2 THR 66 48.451 74.922 64.024 524 H VAL 67 H VAL 67 51.768 74.000 61.537 525 HA VAL 67 HA VAL 67 54.056 72.032 61.821 526 HB VAL 67 HB VAL 67 53.578 74.791 60.587 527 1HG1 VAL 67 1HG1 VAL 67 56.145 74.409 59.983 528 2HG1 VAL 67 2HG1 VAL 67 56.100 73.425 61.505 529 3HG1 VAL 67 3HG1 VAL 67 55.640 75.216 61.547 530 1HG2 VAL 67 1HG2 VAL 67 55.212 73.000 58.974 531 2HG2 VAL 67 2HG2 VAL 67 53.484 73.484 58.612 532 3HG2 VAL 67 3HG2 VAL 67 53.871 72.025 59.654 533 H GLY 68 H GLY 68 55.100 71.808 63.567 534 1HA GLY 68 1HA GLY 68 56.251 72.360 65.389 535 2HA GLY 68 2HA GLY 68 56.381 74.112 64.764 536 H VAL 69 H VAL 69 53.116 73.137 65.161 537 HA VAL 69 HA VAL 69 53.144 74.308 67.964 538 HB VAL 69 HB VAL 69 51.486 74.550 65.415 539 1HG1 VAL 69 1HG1 VAL 69 49.780 75.661 67.519 540 2HG1 VAL 69 2HG1 VAL 69 50.057 73.963 67.912 541 3HG1 VAL 69 3HG1 VAL 69 49.468 74.394 66.255 542 1HG2 VAL 69 1HG2 VAL 69 52.862 76.518 65.982 543 2HG2 VAL 69 2HG2 VAL 69 52.132 76.556 67.630 544 3HG2 VAL 69 3HG2 VAL 69 51.107 76.933 66.135 545 H GLU 70 H GLU 70 53.376 72.604 68.923 546 HA GLU 70 HA GLU 70 52.630 70.075 68.296 547 1HB GLU 70 2HB GLU 70 52.124 69.786 70.991 548 2HB GLU 70 1HB GLU 70 53.811 69.934 70.265 549 1HG GLU 70 2HG GLU 70 54.218 71.916 71.066 550 2HG GLU 70 1HG GLU 70 52.417 72.497 70.976 551 H PHE 71 H PHE 71 51.246 68.597 68.788 552 HA PHE 71 HA PHE 71 48.462 69.551 69.470 553 1HB PHE 71 2HB PHE 71 48.966 69.729 66.880 554 2HB PHE 71 1HB PHE 71 48.649 67.977 66.859 555 HD1 PHE 71 HD1 PHE 71 47.297 71.305 67.625 556 HD2 PHE 71 HD2 PHE 71 46.335 67.135 67.347 557 HE1 PHE 71 HE1 PHE 71 44.953 71.864 67.727 558 HE2 PHE 71 HE2 PHE 71 43.928 67.618 67.460 559 HZ PHE 71 HZ PHE 71 43.191 70.085 67.652 560 H ASP 72 H ASP 72 47.940 68.178 71.030 561 HA ASP 72 HA ASP 72 48.670 65.508 71.335 562 1HB ASP 72 2HB ASP 72 47.538 66.668 73.141 563 2HB ASP 72 1HB ASP 72 46.043 66.999 72.059 564 H GLU 73 H GLU 73 48.502 64.055 69.812 565 HA GLU 73 HA GLU 73 45.965 63.615 68.189 566 1HB GLU 73 2HB GLU 73 48.928 62.816 67.993 567 2HB GLU 73 1HB GLU 73 47.727 61.842 67.138 568 1HG GLU 73 2HG GLU 73 47.376 64.873 66.998 569 2HG GLU 73 1HG GLU 73 48.847 64.083 66.072 570 H HIS 74 H HIS 74 45.809 61.380 67.526 571 HA HIS 74 HA HIS 74 46.070 59.386 69.697 572 1HB HIS 74 2HB HIS 74 43.571 60.942 69.048 573 2HB HIS 74 1HB HIS 74 43.376 59.144 68.949 574 HD1 HIS 74 HD1 HIS 74 43.108 61.776 71.435 575 HD2 HIS 74 HD2 HIS 74 44.708 57.838 71.331 576 HE1 HIS 74 HE1 HIS 74 43.277 60.981 73.827 577 HE2 HIS 74 HE2 HIS 74 44.235 58.605 73.783 578 H THR 75 H THR 75 45.656 57.386 69.085 579 HA THR 75 HA THR 75 45.541 56.795 66.107 580 HB THR 75 HB THR 75 46.655 54.709 66.531 581 HG1 THR 75 1HG THR 75 47.618 54.867 68.880 582 1HG2 THR 75 1HG2 THR 75 48.062 57.008 66.369 583 2HG2 THR 75 2HG2 THR 75 48.949 55.683 67.167 584 3HG2 THR 75 3HG2 THR 75 48.185 56.995 68.191 585 H LYS 76 H LYS 76 43.447 57.273 67.893 586 HA LYS 76 HA LYS 76 41.991 54.995 68.899 587 1HB LYS 76 2HB LYS 76 41.215 57.783 67.891 588 2HB LYS 76 1HB LYS 76 39.994 56.472 68.255 589 1HG LYS 76 2HG LYS 76 41.730 56.208 70.424 590 2HG LYS 76 1HG LYS 76 41.693 58.018 70.150 591 1HD LYS 76 2HD LYS 76 39.895 57.551 71.655 592 2HD LYS 76 1HD LYS 76 39.091 57.694 69.994 593 1HE LYS 76 2HE LYS 76 38.563 55.362 70.055 594 2HE LYS 76 1HE LYS 76 40.090 54.951 70.910 595 1HZ LYS 76 1HZ LYS 76 38.717 56.390 72.715 596 2HZ LYS 76 2HZ LYS 76 38.759 54.747 72.710 597 3HZ LYS 76 3HZ LYS 76 37.470 55.571 71.981 598 H GLY 77 H GLY 77 42.634 56.065 65.789 599 1HA GLY 77 1HA GLY 77 40.439 54.460 64.574 600 2HA GLY 77 2HA GLY 77 41.513 55.602 63.659 601 H LEU 78 H LEU 78 42.890 53.497 65.998 602 HA LEU 78 HA LEU 78 43.668 51.463 64.022 603 1HB LEU 78 2HB LEU 78 45.375 53.685 65.165 604 2HB LEU 78 1HB LEU 78 46.125 51.998 65.127 605 HG LEU 78 HG LEU 78 44.661 52.543 62.685 606 1HD1 LEU 78 1HD1 LEU 78 46.242 54.940 63.639 607 2HD1 LEU 78 2HD1 LEU 78 44.692 54.751 62.714 608 3HD1 LEU 78 3HD1 LEU 78 46.312 54.467 61.897 609 1HD2 LEU 78 1HD2 LEU 78 47.625 52.122 63.599 610 2HD2 LEU 78 2HD2 LEU 78 47.279 52.496 61.858 611 3HD2 LEU 78 3HD2 LEU 78 46.555 51.041 62.585 612 H ASP 79 H ASP 79 45.528 52.189 67.033 613 HA ASP 79 HA ASP 79 44.401 49.646 68.085 614 1HB ASP 79 2HB ASP 79 46.566 49.246 67.709 615 2HB ASP 79 1HB ASP 79 47.219 50.901 68.260 616 H GLY 80 H GLY 80 44.835 53.051 68.644 617 1HA GLY 80 1HA GLY 80 43.645 54.365 70.118 618 2HA GLY 80 2HA GLY 80 43.224 52.894 71.154 619 H ARG 81 H ARG 81 46.220 53.823 69.877 620 HA ARG 81 HA ARG 81 47.369 54.117 72.665 621 1HB ARG 81 2HB ARG 81 48.454 53.284 70.145 622 2HB ARG 81 1HB ARG 81 49.156 54.938 70.374 623 1HG ARG 81 2HG ARG 81 50.553 52.982 71.370 624 2HG ARG 81 1HG ARG 81 50.090 54.287 72.492 625 1HD ARG 81 2HD ARG 81 49.789 51.589 72.930 626 2HD ARG 81 1HD ARG 81 48.842 52.878 73.849 627 HE ARG 81 HE ARG 81 47.567 52.011 71.371 628 1HH1 ARG 81 2HH2 ARG 81 48.138 51.303 74.792 629 2HH1 ARG 81 1HH2 ARG 81 46.665 50.389 75.036 630 1HH2 ARG 81 2HH1 ARG 81 45.621 50.815 71.591 631 2HH2 ARG 81 1HH1 ARG 81 45.173 50.084 73.139 632 H ASN 82 H ASN 82 48.315 55.927 73.562 633 HA ASN 82 HA ASN 82 47.154 58.409 72.313 634 1HB ASN 82 2HB ASN 82 47.419 59.333 74.758 635 2HB ASN 82 1HB ASN 82 46.070 58.073 74.498 636 1HD2 ASN 82 1HD2 ASN 82 49.236 58.771 75.876 637 2HD2 ASN 82 2HD2 ASN 82 49.277 57.296 76.823 638 H VAL 83 H VAL 83 48.273 59.806 71.476 639 HA VAL 83 HA VAL 83 51.009 60.330 72.668 640 HB VAL 83 HB VAL 83 52.133 59.972 70.596 641 1HG1 VAL 83 1HG1 VAL 83 51.666 57.735 69.994 642 2HG1 VAL 83 2HG1 VAL 83 49.914 57.893 70.423 643 3HG1 VAL 83 3HG1 VAL 83 51.219 57.892 71.732 644 1HG2 VAL 83 1HG2 VAL 83 50.946 61.012 68.824 645 2HG2 VAL 83 2HG2 VAL 83 49.364 60.308 69.362 646 3HG2 VAL 83 3HG2 VAL 83 50.569 59.214 68.552 647 H LYS 84 H LYS 84 52.210 61.909 71.426 648 HA LYS 84 HA LYS 84 50.565 64.325 70.771 649 1HB LYS 84 2HB LYS 84 52.873 63.979 72.710 650 2HB LYS 84 1HB LYS 84 52.829 65.480 71.657 651 1HG LYS 84 2HG LYS 84 51.614 66.096 73.582 652 2HG LYS 84 1HG LYS 84 50.297 65.575 72.414 653 1HD LYS 84 2HD LYS 84 49.833 64.517 74.633 654 2HD LYS 84 1HD LYS 84 50.310 63.300 73.374 655 1HE LYS 84 2HE LYS 84 51.443 63.295 75.863 656 2HE LYS 84 1HE LYS 84 52.469 62.978 74.381 657 1HZ LYS 84 1HZ LYS 84 52.095 65.666 75.682 658 2HZ LYS 84 2HZ LYS 84 53.162 65.301 74.461 659 3HZ LYS 84 3HZ LYS 84 53.364 64.668 75.986 660 H THR 85 H THR 85 51.971 65.954 69.730 661 HA THR 85 HA THR 85 54.002 64.764 67.808 662 HB THR 85 HB THR 85 51.230 65.790 67.190 663 HG1 THR 85 1HG THR 85 51.660 63.656 66.049 664 1HG2 THR 85 1HG2 THR 85 52.542 64.803 64.792 665 2HG2 THR 85 2HG2 THR 85 53.797 65.817 65.602 666 3HG2 THR 85 3HG2 THR 85 52.219 66.568 65.144 667 H LEU 86 H LEU 86 55.352 65.952 67.039 668 HA LEU 86 HA LEU 86 54.991 68.885 66.988 669 1HB LEU 86 2HB LEU 86 56.156 68.092 69.185 670 2HB LEU 86 1HB LEU 86 57.576 67.644 68.119 671 HG LEU 86 HG LEU 86 56.739 70.495 67.645 672 1HD1 LEU 86 1HD1 LEU 86 57.099 69.296 70.394 673 2HD1 LEU 86 2HD1 LEU 86 56.402 70.901 69.893 674 3HD1 LEU 86 3HD1 LEU 86 58.182 70.707 69.975 675 1HD2 LEU 86 1HD2 LEU 86 59.102 70.722 67.538 676 2HD2 LEU 86 2HD2 LEU 86 59.005 68.888 67.259 677 3HD2 LEU 86 3HD2 LEU 86 59.364 69.534 68.884 678 H VAL 87 H VAL 87 56.248 69.891 65.436 679 HA VAL 87 HA VAL 87 58.129 68.207 63.901 680 HB VAL 87 HB VAL 87 55.452 69.262 62.972 681 1HG1 VAL 87 1HG1 VAL 87 56.088 69.610 60.618 682 2HG1 VAL 87 2HG1 VAL 87 57.794 69.270 61.039 683 3HG1 VAL 87 3HG1 VAL 87 56.984 70.766 61.686 684 1HG2 VAL 87 1HG2 VAL 87 57.422 66.976 62.030 685 2HG2 VAL 87 2HG2 VAL 87 55.801 67.319 61.290 686 3HG2 VAL 87 3HG2 VAL 87 55.975 66.787 63.031 687 H THR 88 H THR 88 59.328 69.336 62.299 688 HA THR 88 HA THR 88 59.612 72.254 62.563 689 HB THR 88 HB THR 88 61.606 70.116 63.486 690 HG1 THR 88 1HG THR 88 60.741 70.362 65.293 691 1HG2 THR 88 1HG2 THR 88 61.976 73.054 64.248 692 2HG2 THR 88 2HG2 THR 88 62.128 72.823 62.500 693 3HG2 THR 88 3HG2 THR 88 63.265 71.921 63.608 694 H TRP 89 H TRP 89 60.077 72.821 60.583 695 HA TRP 89 HA TRP 89 60.673 71.175 58.256 696 1HB TRP 89 2HB TRP 89 60.629 74.155 58.975 697 2HB TRP 89 1HB TRP 89 61.485 73.723 57.477 698 HD1 TRP 89 HD1 TRP 89 58.157 73.843 59.228 699 HE1 TRP 89 HE1 TRP 89 56.327 73.287 57.404 700 HE3 TRP 89 HE3 TRP 89 61.227 72.439 55.448 701 HZ2 TRP 89 HZ2 TRP 89 56.378 72.328 54.650 702 HZ3 TRP 89 HZ3 TRP 89 60.386 71.735 53.345 703 HH2 TRP 89 HH2 TRP 89 57.974 71.697 52.982 704 H GLU 90 H GLU 90 62.462 71.199 56.929 705 HA GLU 90 HA GLU 90 64.922 71.568 58.617 706 1HB GLU 90 2HB GLU 90 63.854 69.232 57.219 707 2HB GLU 90 1HB GLU 90 65.569 69.630 56.680 708 1HG GLU 90 2HG GLU 90 65.861 69.722 59.464 709 2HG GLU 90 1HG GLU 90 64.444 68.503 59.180 710 H GLY 91 H GLY 91 64.088 70.817 55.305 711 1HA GLY 91 1HA GLY 91 64.623 73.111 53.915 712 2HA GLY 91 2HA GLY 91 66.295 72.390 54.140 713 H ASN 92 H ASN 92 63.085 71.327 53.654 714 HA ASN 92 HA ASN 92 62.245 70.594 51.376 715 1HB ASN 92 2HB ASN 92 63.158 68.520 50.441 716 2HB ASN 92 1HB ASN 92 64.443 69.908 50.472 717 1HD2 ASN 92 1HD2 ASN 92 65.483 67.729 50.103 718 2HD2 ASN 92 2HD2 ASN 92 66.268 67.027 51.543 719 H THR 93 H THR 93 63.327 69.380 54.343 720 HA THR 93 HA THR 93 60.994 67.510 54.664 721 HB THR 93 HB THR 93 63.058 67.350 56.846 722 HG1 THR 93 1HG THR 93 64.434 67.745 55.249 723 1HG2 THR 93 1HG2 THR 93 61.262 65.570 55.076 724 2HG2 THR 93 2HG2 THR 93 61.756 65.398 56.815 725 3HG2 THR 93 3HG2 THR 93 62.866 64.869 55.555 726 H LEU 94 H LEU 94 60.498 67.108 56.870 727 HA LEU 94 HA LEU 94 60.145 69.339 58.752 728 1HB LEU 94 2HB LEU 94 57.588 68.964 58.781 729 2HB LEU 94 1HB LEU 94 58.214 69.758 57.308 730 HG LEU 94 HG LEU 94 58.509 66.953 56.840 731 1HD1 LEU 94 1HD1 LEU 94 56.828 65.940 58.065 732 2HD1 LEU 94 2HD1 LEU 94 55.706 66.747 56.925 733 3HD1 LEU 94 3HD1 LEU 94 56.039 67.518 58.528 734 1HD2 LEU 94 1HD2 LEU 94 58.161 68.403 55.059 735 2HD2 LEU 94 2HD2 LEU 94 56.670 69.100 55.783 736 3HD2 LEU 94 3HD2 LEU 94 56.669 67.377 55.106 737 H VAL 95 H VAL 95 61.561 68.062 59.653 738 HA VAL 95 HA VAL 95 61.260 65.418 60.460 739 HB VAL 95 HB VAL 95 62.338 67.968 61.769 740 1HG1 VAL 95 1HG1 VAL 95 63.375 66.325 63.615 741 2HG1 VAL 95 2HG1 VAL 95 61.849 65.395 63.307 742 3HG1 VAL 95 3HG1 VAL 95 61.818 67.172 63.734 743 1HG2 VAL 95 1HG2 VAL 95 63.872 65.295 61.377 744 2HG2 VAL 95 2HG2 VAL 95 64.501 66.997 61.378 745 3HG2 VAL 95 3HG2 VAL 95 63.553 66.396 59.928 746 H CYS 96 H CYS 96 59.798 64.392 61.660 747 HA CYS 96 HA CYS 96 58.108 65.934 63.606 748 1HB CYS 96 2HB CYS 96 57.028 64.701 61.511 749 2HB CYS 96 1HB CYS 96 57.507 63.174 62.192 750 HG CYS 96 HG CYS 96 54.921 64.611 62.752 751 H VAL 97 H VAL 97 57.580 64.743 65.538 752 HA VAL 97 HA VAL 97 59.026 62.371 66.282 753 HB VAL 97 HB VAL 97 59.793 64.249 68.322 754 1HG1 VAL 97 1HG1 VAL 97 62.092 63.934 66.830 755 2HG1 VAL 97 2HG1 VAL 97 61.173 62.506 66.192 756 3HG1 VAL 97 3HG1 VAL 97 61.510 62.690 67.977 757 1HG2 VAL 97 1HG2 VAL 97 59.320 65.977 66.443 758 2HG2 VAL 97 2HG2 VAL 97 60.768 65.254 65.601 759 3HG2 VAL 97 3HG2 VAL 97 60.941 65.998 67.261 760 H GLN 98 H GLN 98 57.289 61.417 66.990 761 HA GLN 98 HA GLN 98 55.324 62.822 68.736 762 1HB GLN 98 2HB GLN 98 55.542 60.162 67.228 763 2HB GLN 98 1HB GLN 98 54.450 60.182 68.708 764 1HG GLN 98 2HG GLN 98 52.818 61.179 67.547 765 2HG GLN 98 1HG GLN 98 53.927 62.583 67.129 766 1HE2 GLN 98 2HE2 GLN 98 51.732 60.918 65.934 767 2HE2 GLN 98 1HE2 GLN 98 52.361 60.542 64.317 768 H LYS 99 H LYS 99 54.636 62.162 70.640 769 HA LYS 99 HA LYS 99 56.501 60.402 72.217 770 1HB LYS 99 2HB LYS 99 55.464 63.136 73.100 771 2HB LYS 99 1HB LYS 99 56.625 62.140 74.059 772 1HG LYS 99 2HG LYS 99 57.126 63.350 71.245 773 2HG LYS 99 1HG LYS 99 57.749 64.034 72.782 774 1HD LYS 99 2HD LYS 99 59.268 62.306 73.122 775 2HD LYS 99 1HD LYS 99 58.439 61.180 71.893 776 1HE LYS 99 2HE LYS 99 60.166 61.999 70.554 777 2HE LYS 99 1HE LYS 99 58.973 63.399 70.419 778 1HZ LYS 99 1HZ LYS 99 60.193 64.516 72.217 779 2HZ LYS 99 2HZ LYS 99 61.251 64.158 70.936 780 3HZ LYS 99 3HZ LYS 99 61.238 63.229 72.302 781 H GLY 100 H GLY 100 55.574 60.529 74.560 782 1HA GLY 100 1HA GLY 100 53.627 60.541 75.983 783 2HA GLY 100 2HA GLY 100 52.559 60.130 74.559 784 H GLU 101 H GLU 101 52.642 58.131 73.671 785 HA GLU 101 HA GLU 101 53.554 55.951 75.526 786 1HB GLU 101 2HB GLU 101 51.375 55.649 74.044 787 2HB GLU 101 1HB GLU 101 52.469 55.766 72.604 788 1HG GLU 101 2HG GLU 101 53.433 53.861 74.672 789 2HG GLU 101 1HG GLU 101 51.742 53.474 74.020 790 H LYS 102 H LYS 102 54.427 57.761 72.905 791 HA LYS 102 HA LYS 102 56.940 56.263 72.081 792 1HB LYS 102 2HB LYS 102 55.209 58.533 70.988 793 2HB LYS 102 1HB LYS 102 56.986 58.305 70.554 794 1HG LYS 102 2HG LYS 102 55.871 57.081 68.855 795 2HG LYS 102 1HG LYS 102 56.339 55.837 70.095 796 1HD LYS 102 2HD LYS 102 54.139 55.718 71.004 797 2HD LYS 102 1HD LYS 102 53.536 57.180 70.140 798 1HE LYS 102 2HE LYS 102 54.466 55.548 67.980 799 2HE LYS 102 1HE LYS 102 53.794 54.393 69.164 800 1HZ LYS 102 1HZ LYS 102 51.749 55.976 69.096 801 2HZ LYS 102 2HZ LYS 102 52.097 55.111 67.736 802 3HZ LYS 102 3HZ LYS 102 52.502 56.700 67.758 803 H GLU 103 H GLU 103 58.607 57.484 71.592 804 HA GLU 103 HA GLU 103 59.231 59.941 73.207 805 1HB GLU 103 2HB GLU 103 61.385 57.872 73.501 806 2HB GLU 103 1HB GLU 103 60.597 59.002 74.671 807 1HG GLU 103 2HG GLU 103 58.617 57.581 74.877 808 2HG GLU 103 1HG GLU 103 59.503 56.295 73.787 809 H ASN 104 H ASN 104 59.549 58.427 70.268 810 HA ASN 104 HA ASN 104 61.509 60.200 69.419 811 1HB ASN 104 2HB ASN 104 63.011 58.576 70.748 812 2HB ASN 104 1HB ASN 104 62.485 57.220 69.634 813 1HD2 ASN 104 2HD2 ASN 104 64.660 57.006 69.208 814 2HD2 ASN 104 1HD2 ASN 104 65.498 58.219 68.019 815 H ARG 105 H ARG 105 58.902 59.418 68.590 816 HA ARG 105 HA ARG 105 59.474 57.653 66.217 817 1HB ARG 105 2HB ARG 105 57.338 57.025 67.556 818 2HB ARG 105 1HB ARG 105 56.784 58.667 67.253 819 1HG ARG 105 2HG ARG 105 57.237 58.149 64.658 820 2HG ARG 105 1HG ARG 105 57.095 56.417 65.186 821 1HD ARG 105 2HD ARG 105 54.992 58.131 66.369 822 2HD ARG 105 1HD ARG 105 54.970 58.104 64.536 823 HE ARG 105 HE ARG 105 55.240 55.493 65.964 824 1HH1 ARG 105 2HH2 ARG 105 52.906 57.880 64.352 825 2HH1 ARG 105 1HH2 ARG 105 51.688 56.692 64.135 826 1HH2 ARG 105 1HH1 ARG 105 53.621 54.103 65.619 827 2HH2 ARG 105 2HH1 ARG 105 52.048 54.466 64.851 828 H GLY 106 H GLY 106 60.568 58.790 65.058 829 1HA GLY 106 1HA GLY 106 59.168 61.250 63.851 830 2HA GLY 106 2HA GLY 106 60.934 61.200 64.226 831 H TRP 107 H TRP 107 59.653 61.840 61.916 832 HA TRP 107 HA TRP 107 61.011 59.941 60.123 833 1HB TRP 107 2HB TRP 107 58.960 60.924 58.473 834 2HB TRP 107 1HB TRP 107 59.151 59.230 59.117 835 HD1 TRP 107 HD1 TRP 107 57.984 59.027 61.739 836 HE1 TRP 107 HE1 TRP 107 55.884 59.934 62.766 837 HE3 TRP 107 HE3 TRP 107 57.447 62.645 58.423 838 HZ2 TRP 107 HZ2 TRP 107 54.225 62.098 62.057 839 HZ3 TRP 107 HZ3 TRP 107 55.537 64.192 58.605 840 HH2 TRP 107 HH2 TRP 107 53.994 63.849 60.437 841 H LYS 108 H LYS 108 61.732 60.487 58.374 842 HA LYS 108 HA LYS 108 62.224 63.405 57.732 843 1HB LYS 108 2HB LYS 108 64.162 61.010 57.944 844 2HB LYS 108 1HB LYS 108 64.565 62.444 56.856 845 1HG LYS 108 2HG LYS 108 64.662 63.992 58.496 846 2HG LYS 108 1HG LYS 108 63.635 63.044 59.660 847 1HD LYS 108 2HD LYS 108 65.528 61.544 60.198 848 2HD LYS 108 1HD LYS 108 66.520 62.126 58.843 849 1HE LYS 108 2HE LYS 108 66.742 64.315 59.867 850 2HE LYS 108 1HE LYS 108 65.539 63.887 61.209 851 1HZ LYS 108 1HZ LYS 108 67.170 62.107 61.759 852 2HZ LYS 108 2HZ LYS 108 67.566 63.660 62.160 853 3HZ LYS 108 3HZ LYS 108 68.293 62.910 60.832 854 H GLN 109 H GLN 109 60.329 62.859 56.742 855 HA GLN 109 HA GLN 109 60.376 61.283 54.233 856 1HB GLN 109 2HB GLN 109 58.419 61.899 55.713 857 2HB GLN 109 1HB GLN 109 58.352 63.526 54.845 858 1HG GLN 109 2HG GLN 109 58.397 61.879 52.671 859 2HG GLN 109 1HG GLN 109 57.975 60.640 53.979 860 1HE2 GLN 109 2HE2 GLN 109 56.143 60.445 54.405 861 2HE2 GLN 109 1HE2 GLN 109 54.726 61.662 54.142 862 H TRP 110 H TRP 110 62.621 62.617 53.527 863 HA TRP 110 HA TRP 110 61.861 65.355 52.596 864 1HB TRP 110 2HB TRP 110 63.993 65.822 52.708 865 2HB TRP 110 1HB TRP 110 64.080 64.334 53.766 866 HD1 TRP 110 HD1 TRP 110 64.699 65.389 50.178 867 HE1 TRP 110 HE1 TRP 110 66.395 63.587 49.136 868 HE3 TRP 110 HE3 TRP 110 64.719 62.393 54.028 869 HZ2 TRP 110 HZ2 TRP 110 67.435 61.174 50.167 870 HZ3 TRP 110 HZ3 TRP 110 66.031 60.297 54.107 871 HH2 TRP 110 HH2 TRP 110 67.357 59.737 52.203 872 H VAL 111 H VAL 111 61.364 65.856 50.676 873 HA VAL 111 HA VAL 111 60.818 63.924 48.493 874 HB VAL 111 HB VAL 111 60.678 66.960 48.706 875 1HG1 VAL 111 1HG1 VAL 111 59.364 66.992 46.681 876 2HG1 VAL 111 2HG1 VAL 111 59.260 65.145 46.637 877 3HG1 VAL 111 3HG1 VAL 111 60.804 66.017 46.349 878 1HG2 VAL 111 1HG2 VAL 111 59.161 66.029 50.348 879 2HG2 VAL 111 2HG2 VAL 111 58.830 64.601 49.303 880 3HG2 VAL 111 3HG2 VAL 111 58.098 66.207 48.829 881 H GLU 112 H GLU 112 61.644 63.544 46.740 882 HA GLU 112 HA GLU 112 64.140 64.994 45.965 883 1HB GLU 112 2HB GLU 112 63.768 62.122 46.575 884 2HB GLU 112 1HB GLU 112 64.606 62.447 44.982 885 1HG GLU 112 2HG GLU 112 65.222 63.957 47.576 886 2HG GLU 112 1HG GLU 112 66.031 62.303 47.158 887 H GLY 113 H GLY 113 61.935 62.528 44.788 888 1HA GLY 113 1HA GLY 113 60.481 63.729 42.788 889 2HA GLY 113 2HA GLY 113 62.049 63.458 41.917 890 H ASP 114 H ASP 114 59.259 61.934 43.394 891 HA ASP 114 HA ASP 114 58.300 59.849 43.016 892 1HB ASP 114 2HB ASP 114 60.154 59.582 40.552 893 2HB ASP 114 1HB ASP 114 58.375 59.037 40.788 894 H LYS 115 H LYS 115 60.497 60.147 44.560 895 HA LYS 115 HA LYS 115 61.188 57.509 45.335 896 1HB LYS 115 2HB LYS 115 62.715 58.027 43.097 897 2HB LYS 115 1HB LYS 115 63.654 58.991 44.274 898 1HG LYS 115 2HG LYS 115 64.657 56.816 44.680 899 2HG LYS 115 1HG LYS 115 63.321 56.899 45.891 900 1HD LYS 115 2HD LYS 115 61.910 56.022 43.649 901 2HD LYS 115 1HD LYS 115 63.531 55.382 43.252 902 1HE LYS 115 2HE LYS 115 63.479 54.666 45.862 903 2HE LYS 115 1HE LYS 115 61.678 54.693 45.559 904 1HZ LYS 115 1HZ LYS 115 63.532 52.697 44.739 905 2HZ LYS 115 2HZ LYS 115 62.744 53.362 43.390 906 3HZ LYS 115 3HZ LYS 115 61.863 52.678 44.590 907 H LEU 116 H LEU 116 60.140 58.789 47.004 908 HA LEU 116 HA LEU 116 62.241 60.570 48.322 909 1HB LEU 116 2HB LEU 116 60.715 61.942 48.867 910 2HB LEU 116 1HB LEU 116 59.514 61.005 47.837 911 HG LEU 116 HG LEU 116 59.063 59.532 49.870 912 1HD1 LEU 116 1HD1 LEU 116 61.150 60.787 51.121 913 2HD1 LEU 116 2HD1 LEU 116 59.692 60.522 52.104 914 3HD1 LEU 116 3HD1 LEU 116 59.966 62.152 51.267 915 1HD2 LEU 116 1HD2 LEU 116 57.212 60.782 50.437 916 2HD2 LEU 116 2HD2 LEU 116 57.673 61.569 48.854 917 3HD2 LEU 116 3HD2 LEU 116 58.078 62.356 50.422 918 H TYR 117 H TYR 117 63.296 60.098 50.020 919 HA TYR 117 HA TYR 117 62.539 57.455 51.103 920 1HB TYR 117 2HB TYR 117 65.006 59.214 51.004 921 2HB TYR 117 1HB TYR 117 64.879 58.122 52.436 922 HD1 TYR 117 HD1 TYR 117 66.808 58.186 49.691 923 HD2 TYR 117 HD2 TYR 117 63.505 55.732 50.951 924 HE1 TYR 117 HE1 TYR 117 67.559 56.359 48.256 925 HE2 TYR 117 HE2 TYR 117 64.272 53.944 49.512 926 HH TYR 117 HH TYR 117 66.256 54.311 47.053 927 H LEU 118 H LEU 118 61.361 57.139 52.699 928 HA LEU 118 HA LEU 118 61.256 59.353 54.709 929 1HB LEU 118 2HB LEU 118 59.055 58.759 53.730 930 2HB LEU 118 1HB LEU 118 59.371 56.976 53.956 931 HG LEU 118 HG LEU 118 59.184 57.205 56.431 932 1HD1 LEU 118 1HD1 LEU 118 59.623 59.976 55.606 933 2HD1 LEU 118 2HD1 LEU 118 60.100 59.214 57.181 934 3HD1 LEU 118 3HD1 LEU 118 58.412 59.891 56.909 935 1HD2 LEU 118 1HD2 LEU 118 56.885 58.731 56.543 936 2HD2 LEU 118 2HD2 LEU 118 56.923 57.077 55.710 937 3HD2 LEU 118 3HD2 LEU 118 57.013 58.651 54.783 938 H GLU 119 H GLU 119 62.711 59.113 56.162 939 HA GLU 119 HA GLU 119 63.640 56.417 56.989 940 1HB GLU 119 2HB GLU 119 64.661 59.168 58.004 941 2HB GLU 119 1HB GLU 119 65.409 57.547 58.081 942 1HG GLU 119 2HG GLU 119 64.804 57.744 55.354 943 2HG GLU 119 1HG GLU 119 65.266 59.480 55.804 944 H LEU 120 H LEU 120 62.054 55.514 58.231 945 HA LEU 120 HA LEU 120 60.894 57.133 60.363 946 1HB LEU 120 2HB LEU 120 60.849 54.266 59.614 947 2HB LEU 120 1HB LEU 120 60.415 54.611 61.334 948 HG LEU 120 HG LEU 120 59.065 55.712 58.800 949 1HD1 LEU 120 1HD1 LEU 120 58.434 53.604 60.788 950 2HD1 LEU 120 2HD1 LEU 120 57.821 53.929 59.059 951 3HD1 LEU 120 3HD1 LEU 120 57.004 54.703 60.445 952 1HD2 LEU 120 1HD2 LEU 120 58.889 56.740 61.693 953 2HD2 LEU 120 2HD2 LEU 120 57.334 56.522 60.888 954 3HD2 LEU 120 3HD2 LEU 120 58.596 57.575 60.117 955 H THR 121 H THR 121 61.277 56.556 62.712 956 HA THR 121 HA THR 121 63.886 55.193 63.249 957 HB THR 121 HB THR 121 64.524 57.286 64.695 958 HG1 THR 121 1HG THR 121 62.264 58.059 63.547 959 1HG2 THR 121 1HG2 THR 121 64.586 57.959 61.669 960 2HG2 THR 121 2HG2 THR 121 65.361 56.416 62.219 961 3HG2 THR 121 3HG2 THR 121 65.927 58.027 62.849 962 H CYS 122 H CYS 122 60.902 54.865 63.816 963 HA CYS 122 HA CYS 122 60.778 55.446 66.718 964 1HB CYS 122 2HB CYS 122 58.883 55.125 64.756 965 2HB CYS 122 1HB CYS 122 59.131 53.403 65.033 966 HG CYS 122 HG CYS 122 58.866 55.226 67.802 967 H GLY 123 H GLY 123 60.468 54.139 68.275 968 1HA GLY 123 1HA GLY 123 60.819 52.249 69.607 969 2HA GLY 123 2HA GLY 123 60.893 51.304 68.081 970 H ASP 124 H ASP 124 62.488 50.365 69.823 971 HA ASP 124 HA ASP 124 65.107 51.396 70.333 972 1HB ASP 124 2HB ASP 124 63.743 49.039 70.929 973 2HB ASP 124 1HB ASP 124 64.870 48.465 69.586 974 H GLN 125 H GLN 125 63.819 49.371 67.812 975 HA GLN 125 HA GLN 125 66.487 49.740 66.381 976 1HB GLN 125 2HB GLN 125 65.878 47.361 66.462 977 2HB GLN 125 1HB GLN 125 64.158 47.703 66.144 978 1HG GLN 125 2HG GLN 125 64.315 47.914 63.899 979 2HG GLN 125 1HG GLN 125 66.053 48.479 63.945 980 1HE2 GLN 125 2HE2 GLN 125 63.813 45.749 64.362 981 2HE2 GLN 125 1HE2 GLN 125 65.201 44.452 64.210 982 H VAL 126 H VAL 126 66.590 50.653 64.494 983 HA VAL 126 HA VAL 126 64.421 52.480 63.623 984 HB VAL 126 HB VAL 126 67.303 51.915 62.655 985 1HG1 VAL 126 1HG1 VAL 126 65.027 53.837 61.806 986 2HG1 VAL 126 2HG1 VAL 126 66.297 53.084 60.758 987 3HG1 VAL 126 3HG1 VAL 126 66.661 54.544 61.812 988 1HG2 VAL 126 1HG2 VAL 126 67.430 54.306 63.876 989 2HG2 VAL 126 2HG2 VAL 126 67.473 52.819 64.825 990 3HG2 VAL 126 3HG2 VAL 126 65.901 53.736 64.706 991 H CYS 127 H CYS 127 63.331 52.619 61.663 992 HA CYS 127 HA CYS 127 63.779 50.320 59.710 993 1HB CYS 127 2HB CYS 127 61.127 51.787 59.729 994 2HB CYS 127 1HB CYS 127 61.404 50.046 59.693 995 HG CYS 127 HG CYS 127 59.915 50.838 61.876 996 H ARG 128 H ARG 128 62.544 50.961 57.680 997 HA ARG 128 HA ARG 128 63.251 53.856 57.145 998 1HB ARG 128 2HB ARG 128 65.277 52.387 56.629 999 2HB ARG 128 1HB ARG 128 64.239 51.414 55.500 1000 1HG ARG 128 2HG ARG 128 63.734 53.372 54.091 1001 2HG ARG 128 1HG ARG 128 64.666 54.435 55.169 1002 1HD ARG 128 2HD ARG 128 66.016 51.833 54.195 1003 2HD ARG 128 1HD ARG 128 65.719 53.104 52.917 1004 HE ARG 128 HE ARG 128 67.014 53.877 55.464 1005 1HH1 ARG 128 1HH2 ARG 128 67.366 53.292 51.984 1006 2HH1 ARG 128 2HH2 ARG 128 68.922 54.092 51.846 1007 1HH2 ARG 128 2HH1 ARG 128 69.053 54.947 55.332 1008 2HH2 ARG 128 1HH1 ARG 128 69.905 55.075 53.838 1009 H GLN 129 H GLN 129 61.047 54.298 56.723 1010 HA GLN 129 HA GLN 129 59.462 52.509 55.044 1011 1HB GLN 129 2HB GLN 129 58.664 54.430 56.482 1012 2HB GLN 129 1HB GLN 129 59.357 55.550 55.222 1013 1HG GLN 129 2HG GLN 129 56.777 55.101 54.963 1014 2HG GLN 129 1HG GLN 129 57.816 54.782 53.484 1015 1HE2 GLN 129 2HE2 GLN 129 57.212 53.073 56.676 1016 2HE2 GLN 129 1HE2 GLN 129 56.561 51.601 55.935 1017 H VAL 130 H VAL 130 58.573 53.002 52.749 1018 HA VAL 130 HA VAL 130 60.498 54.640 51.192 1019 HB VAL 130 HB VAL 130 59.692 51.771 50.253 1020 1HG1 VAL 130 1HG1 VAL 130 62.132 52.739 48.965 1021 2HG1 VAL 130 2HG1 VAL 130 60.916 54.080 48.875 1022 3HG1 VAL 130 3HG1 VAL 130 60.548 52.396 48.246 1023 1HG2 VAL 130 1HG2 VAL 130 61.012 51.557 52.161 1024 2HG2 VAL 130 2HG2 VAL 130 62.250 52.726 51.639 1025 3HG2 VAL 130 3HG2 VAL 130 62.122 51.176 50.734 1026 H PHE 131 H PHE 131 59.527 55.803 49.939 1027 HA PHE 131 HA PHE 131 56.677 55.417 49.036 1028 1HB PHE 131 2HB PHE 131 58.591 57.610 49.944 1029 2HB PHE 131 1HB PHE 131 57.239 58.065 48.769 1030 HD1 PHE 131 HD1 PHE 131 57.152 55.539 51.618 1031 HD2 PHE 131 HD2 PHE 131 55.906 59.369 50.162 1032 HE1 PHE 131 HE1 PHE 131 55.599 55.711 53.533 1033 HE2 PHE 131 HE2 PHE 131 54.354 59.519 52.075 1034 HZ PHE 131 HZ PHE 131 54.209 57.706 53.740 1035 H LYS 132 H LYS 132 56.148 56.749 47.010 1036 HA LYS 132 HA LYS 132 58.189 57.485 45.160 1037 1HB LYS 132 2HB LYS 132 58.688 54.902 45.134 1038 2HB LYS 132 1HB LYS 132 56.959 54.642 44.897 1039 1HG LYS 132 2HG LYS 132 57.411 56.269 42.701 1040 2HG LYS 132 1HG LYS 132 59.088 55.562 42.899 1041 1HD LYS 132 2HD LYS 132 57.901 54.190 41.455 1042 2HD LYS 132 1HD LYS 132 57.881 53.250 43.074 1043 1HE LYS 132 2HE LYS 132 55.622 53.310 43.199 1044 2HE LYS 132 1HE LYS 132 55.509 54.975 42.546 1045 1HZ LYS 132 1HZ LYS 132 56.028 53.916 40.305 1046 2HZ LYS 132 2HZ LYS 132 54.551 53.579 40.987 1047 3HZ LYS 132 3HZ LYS 132 55.748 52.440 40.997 1048 H LYS 133 H LYS 133 56.946 58.857 44.292 1049 HA LYS 133 HA LYS 133 55.022 58.382 42.283 1050 1HB LYS 133 2HB LYS 133 53.634 57.632 44.592 1051 2HB LYS 133 1HB LYS 133 53.279 59.392 44.444 1052 1HG LYS 133 2HG LYS 133 53.153 58.551 41.759 1053 2HG LYS 133 1HG LYS 133 52.393 57.162 42.698 1054 1HD LYS 133 2HD LYS 133 51.421 59.849 43.534 1055 2HD LYS 133 1HD LYS 133 51.071 59.359 41.799 1056 1HE LYS 133 2HE LYS 133 50.805 57.457 44.148 1057 2HE LYS 133 1HE LYS 133 49.444 58.655 43.641 1058 1HZ LYS 133 1HZ LYS 133 49.441 56.308 42.545 1059 2HZ LYS 133 2HZ LYS 133 50.745 56.849 41.663 1060 3HZ LYS 133 3HZ LYS 133 49.253 57.642 41.583 1061 H LYS 134 H LYS 134 53.102 60.590 42.978 1062 HA LYS 134 HA LYS 134 55.048 62.826 43.209 1063 1HB LYS 134 2HB LYS 134 54.290 63.604 40.804 1064 2HB LYS 134 1HB LYS 134 55.239 62.070 40.891 1065 1HG LYS 134 2HG LYS 134 52.247 61.709 41.028 1066 2HG LYS 134 1HG LYS 134 52.914 62.310 39.454 1067 1HD LYS 134 2HD LYS 134 54.211 59.988 40.870 1068 2HD LYS 134 1HD LYS 134 52.761 59.785 39.756 1069 1HE LYS 134 2HE LYS 134 55.132 61.536 38.876 1070 2HE LYS 134 1HE LYS 134 55.152 59.669 38.666 1071 1HZ LYS 134 1HZ LYS 134 54.335 60.662 36.723 1072 2HZ LYS 134 2HZ LYS 134 53.223 61.608 37.540 1073 3HZ LYS 134 3HZ LYS 134 53.014 59.971 37.489 1074 1H2 RTL 135 1H2 RET 135 47.898 51.087 56.398 1075 2H2 RTL 135 2H2 RET 135 46.412 51.463 57.127 1076 1H3 RTL 135 1H3 RET 135 46.627 49.416 58.267 1077 2H3 RTL 135 2H3 RET 135 48.179 49.185 57.666 1078 1H4 RTL 135 1H4 RET 135 48.461 49.197 60.028 1079 2H4 RTL 135 2H4 RET 135 47.468 50.573 60.270 1080 H7 RTL 135 H7 RET 135 51.273 52.627 58.075 1081 H8 RTL 135 H8 RET 135 49.406 54.711 59.449 1082 H10 RTL 135 H10 RET 135 50.087 56.532 57.617 1083 H11 RTL 135 H11 RET 135 52.922 57.138 57.433 1084 H12 RTL 135 H12 RET 135 50.946 59.139 58.778 1085 H14 RTL 135 H14 RET 135 51.578 60.973 56.926 1086 1H15 RTL 135 1H15 RET 135 53.850 62.367 58.161 1087 2H15 RTL 135 2H15 RET 135 52.963 62.899 56.706 1088 HO1 RTL 135 H51 RET 135 55.259 62.312 56.418 1089 1H16 RTL 135 1H16 RET 135 48.286 54.525 57.592 1090 2H16 RTL 135 2H16 RET 135 47.398 53.625 56.360 1091 3H16 RTL 135 3H16 RET 135 49.152 53.468 56.441 1092 1H17 RTL 135 1H17 RET 135 46.470 53.912 58.187 1093 2H17 RTL 135 2H17 RET 135 47.556 53.914 59.584 1094 3H17 RTL 135 3H17 RET 135 46.369 52.604 59.331 1095 1H18 RTL 135 1H18 RET 135 50.441 50.757 61.313 1096 2H18 RTL 135 2H18 RET 135 51.427 50.938 59.842 1097 3H18 RTL 135 3H18 RET 135 50.588 49.399 60.169 1098 1H19 RTL 135 1H19 RET 135 52.728 53.990 59.609 1099 2H19 RTL 135 2H19 RET 135 52.595 55.503 60.536 1100 3H19 RTL 135 3H19 RET 135 53.473 55.434 58.973 1101 1H20 RTL 135 1H20 RET 135 54.703 58.843 58.306 1102 2H20 RTL 135 2H20 RET 135 53.889 59.175 59.843 1103 3H20 RTL 135 3H20 RET 135 54.698 60.507 58.892 Start of MODEL 12 1 1H MET 1 1H MET 1 58.792 78.622 48.229 2 2H MET 1 2H MET 1 60.361 79.176 48.465 3 3H MET 1 3H MET 1 59.141 79.524 49.569 4 HA MET 1 HA MET 1 60.296 77.914 50.741 5 1HB MET 1 2HB MET 1 57.894 76.897 49.082 6 2HB MET 1 1HB MET 1 58.994 75.659 49.777 7 1HG MET 1 2HG MET 1 58.095 77.893 51.660 8 2HG MET 1 1HG MET 1 56.900 76.693 51.323 9 1HE MET 1 1HE MET 1 59.347 77.306 54.229 10 2HE MET 1 2HE MET 1 58.200 76.005 54.809 11 3HE MET 1 3HE MET 1 57.547 77.241 53.893 12 H THR 2 H THR 2 61.388 76.047 50.781 13 HA THR 2 HA THR 2 63.136 75.684 48.360 14 HB THR 2 HB THR 2 63.017 74.279 51.138 15 HG1 THR 2 1HG THR 2 64.979 75.587 51.424 16 1HG2 THR 2 1HG2 THR 2 65.694 74.186 49.853 17 2HG2 THR 2 2HG2 THR 2 64.485 73.859 48.556 18 3HG2 THR 2 3HG2 THR 2 64.623 72.791 50.001 19 H LYS 3 H LYS 3 60.835 74.059 50.516 20 HA LYS 3 HA LYS 3 61.127 71.593 48.830 21 1HB LYS 3 2HB LYS 3 60.775 71.885 51.409 22 2HB LYS 3 1HB LYS 3 59.017 71.820 51.047 23 1HG LYS 3 2HG LYS 3 59.142 69.736 49.970 24 2HG LYS 3 1HG LYS 3 60.949 69.842 49.763 25 1HD LYS 3 2HD LYS 3 59.865 70.068 52.619 26 2HD LYS 3 1HD LYS 3 59.723 68.473 51.808 27 1HE LYS 3 2HE LYS 3 62.321 70.104 51.994 28 2HE LYS 3 1HE LYS 3 61.756 68.817 53.227 29 1HZ LYS 3 1HZ LYS 3 63.310 67.862 51.490 30 2HZ LYS 3 2HZ LYS 3 62.396 68.428 50.278 31 3HZ LYS 3 3HZ LYS 3 61.786 67.251 51.368 32 H ASP 4 H ASP 4 57.961 73.142 49.952 33 HA ASP 4 HA ASP 4 55.983 73.204 48.862 34 1HB ASP 4 2HB ASP 4 57.646 73.217 46.165 35 2HB ASP 4 1HB ASP 4 55.862 73.386 46.369 36 H GLN 5 H GLN 5 56.142 71.066 49.934 37 HA GLN 5 HA GLN 5 56.741 68.638 48.567 38 1HB GLN 5 2HB GLN 5 55.230 69.663 50.982 39 2HB GLN 5 1HB GLN 5 54.893 67.910 50.411 40 1HG GLN 5 2HG GLN 5 57.658 68.044 50.305 41 2HG GLN 5 1HG GLN 5 57.163 68.924 51.893 42 1HE2 GLN 5 1HE2 GLN 5 56.672 66.023 49.852 43 2HE2 GLN 5 2HE2 GLN 5 56.258 64.914 51.166 44 H ASN 6 H ASN 6 53.437 69.279 49.567 45 HA ASN 6 HA ASN 6 51.535 68.399 48.625 46 1HB ASN 6 2HB ASN 6 51.624 70.082 46.132 47 2HB ASN 6 1HB ASN 6 50.584 70.224 47.661 48 1HD2 ASN 6 1HD2 ASN 6 51.240 71.226 49.366 49 2HD2 ASN 6 2HD2 ASN 6 52.495 72.626 49.259 50 H GLY 7 H GLY 7 52.115 66.344 48.229 51 1HA GLY 7 1HA GLY 7 51.987 65.664 45.312 52 2HA GLY 7 2HA GLY 7 53.447 65.194 46.224 53 H THR 8 H THR 8 52.136 63.394 44.985 54 HA THR 8 HA THR 8 50.615 61.877 46.982 55 HB THR 8 HB THR 8 50.928 61.546 43.913 56 HG1 THR 8 1HG THR 8 49.444 62.974 43.802 57 1HG2 THR 8 1HG2 THR 8 49.785 59.881 46.069 58 2HG2 THR 8 2HG2 THR 8 49.173 59.711 44.364 59 3HG2 THR 8 3HG2 THR 8 48.362 60.839 45.496 60 H TRP 9 H TRP 9 51.314 59.760 47.304 61 HA TRP 9 HA TRP 9 53.852 58.886 46.026 62 1HB TRP 9 2HB TRP 9 54.635 58.865 48.770 63 2HB TRP 9 1HB TRP 9 55.450 59.553 47.297 64 HD1 TRP 9 HD1 TRP 9 52.268 60.395 49.375 65 HE1 TRP 9 HE1 TRP 9 52.082 62.873 49.894 66 HE3 TRP 9 HE3 TRP 9 56.479 61.753 47.107 67 HZ2 TRP 9 HZ2 TRP 9 53.610 65.058 49.320 68 HZ3 TRP 9 HZ3 TRP 9 57.099 64.180 47.125 69 HH2 TRP 9 HH2 TRP 9 55.697 65.802 48.203 70 H GLU 10 H GLU 10 52.197 57.319 45.484 71 HA GLU 10 HA GLU 10 50.976 55.485 47.187 72 1HB GLU 10 2HB GLU 10 52.307 55.368 44.444 73 2HB GLU 10 1HB GLU 10 51.814 53.776 45.223 74 1HG GLU 10 2HG GLU 10 49.955 56.203 45.277 75 2HG GLU 10 1HG GLU 10 50.108 55.203 43.720 76 H MET 11 H MET 11 52.099 54.994 48.945 77 HA MET 11 HA MET 11 54.772 54.321 49.460 78 1HB MET 11 2HB MET 11 52.085 53.767 50.613 79 2HB MET 11 1HB MET 11 53.174 52.296 50.716 80 1HG MET 11 2HG MET 11 54.702 54.632 51.506 81 2HG MET 11 1HG MET 11 53.179 54.609 52.403 82 1HE MET 11 1HE MET 11 53.146 50.722 52.678 83 2HE MET 11 2HE MET 11 52.174 52.236 53.068 84 3HE MET 11 3HE MET 11 53.072 51.383 54.302 85 H GLU 12 H GLU 12 56.060 52.787 49.278 86 HA GLU 12 HA GLU 12 55.498 50.589 47.264 87 1HB GLU 12 2HB GLU 12 58.150 51.886 48.310 88 2HB GLU 12 1HB GLU 12 58.046 50.437 47.217 89 1HG GLU 12 2HG GLU 12 56.784 51.873 45.546 90 2HG GLU 12 1HG GLU 12 57.167 53.326 46.729 91 H SER 13 H SER 13 57.418 51.259 50.128 92 HA SER 13 HA SER 13 56.474 48.740 51.433 93 1HB SER 13 2HB SER 13 58.786 48.551 49.656 94 2HB SER 13 1HB SER 13 59.469 48.816 51.342 95 HG SER 13 HG SER 13 57.889 46.765 50.300 96 H ASN 14 H ASN 14 58.243 48.242 53.081 97 HA ASN 14 HA ASN 14 59.517 50.452 54.517 98 1HB ASN 14 2HB ASN 14 58.251 49.910 56.643 99 2HB ASN 14 1HB ASN 14 57.040 50.464 55.354 100 1HD2 ASN 14 2HD2 ASN 14 56.483 48.822 53.900 101 2HD2 ASN 14 1HD2 ASN 14 55.905 47.141 54.611 102 H GLU 15 H GLU 15 60.478 49.860 56.393 103 HA GLU 15 HA GLU 15 61.411 47.040 56.042 104 1HB GLU 15 2HB GLU 15 62.918 49.711 56.256 105 2HB GLU 15 1HB GLU 15 63.654 48.348 57.208 106 1HG GLU 15 2HG GLU 15 62.622 47.769 54.445 107 2HG GLU 15 1HG GLU 15 64.231 48.701 54.652 108 H ASN 16 H ASN 16 62.658 46.363 58.068 109 HA ASN 16 HA ASN 16 62.226 45.444 60.112 110 1HB ASN 16 2HB ASN 16 63.391 48.012 60.322 111 2HB ASN 16 1HB ASN 16 62.001 48.061 61.557 112 1HD2 ASN 16 2HD2 ASN 16 64.642 48.288 62.155 113 2HD2 ASN 16 1HD2 ASN 16 65.070 46.673 63.102 114 H PHE 17 H PHE 17 60.167 45.751 58.593 115 HA PHE 17 HA PHE 17 57.713 46.849 59.091 116 1HB PHE 17 2HB PHE 17 57.255 43.972 59.355 117 2HB PHE 17 1HB PHE 17 56.891 45.132 57.981 118 HD1 PHE 17 HD1 PHE 17 57.899 44.901 56.006 119 HD2 PHE 17 HD2 PHE 17 59.776 43.218 59.420 120 HE1 PHE 17 HE1 PHE 17 59.671 43.881 54.583 121 HE2 PHE 17 HE2 PHE 17 61.564 42.186 58.088 122 HZ PHE 17 HZ PHE 17 61.528 42.515 55.575 123 H GLU 18 H GLU 18 59.295 44.500 61.203 124 HA GLU 18 HA GLU 18 57.103 44.158 63.065 125 1HB GLU 18 2HB GLU 18 58.897 43.235 64.547 126 2HB GLU 18 1HB GLU 18 59.106 42.717 62.795 127 1HG GLU 18 2HG GLU 18 60.767 44.507 62.443 128 2HG GLU 18 1HG GLU 18 60.904 44.676 64.337 129 H GLY 19 H GLY 19 59.881 46.437 63.154 130 1HA GLY 19 1HA GLY 19 59.007 47.454 65.808 131 2HA GLY 19 2HA GLY 19 60.266 48.185 64.776 132 H TYR 20 H TYR 20 58.069 47.882 62.433 133 HA TYR 20 HA TYR 20 56.929 50.557 62.942 134 1HB TYR 20 2HB TYR 20 57.726 49.439 60.702 135 2HB TYR 20 1HB TYR 20 56.230 48.427 60.770 136 HD1 TYR 20 HD1 TYR 20 56.902 52.111 61.316 137 HD2 TYR 20 HD2 TYR 20 54.838 49.017 59.297 138 HE1 TYR 20 HE1 TYR 20 55.568 53.837 60.061 139 HE2 TYR 20 HE2 TYR 20 53.474 50.654 57.990 140 HH TYR 20 HH TYR 20 54.051 53.377 57.350 141 H MET 21 H MET 21 55.935 47.162 63.075 142 HA MET 21 HA MET 21 53.133 47.784 63.602 143 1HB MET 21 2HB MET 21 53.898 45.671 62.510 144 2HB MET 21 1HB MET 21 55.049 45.393 63.872 145 1HG MET 21 2HG MET 21 52.253 45.850 64.774 146 2HG MET 21 1HG MET 21 52.315 44.466 63.682 147 1HE MET 21 1HE MET 21 55.640 43.278 64.648 148 2HE MET 21 2HE MET 21 54.164 43.033 63.547 149 3HE MET 21 3HE MET 21 54.495 41.881 64.746 150 H LYS 22 H LYS 22 56.007 47.160 65.367 151 HA LYS 22 HA LYS 22 54.839 46.731 67.949 152 1HB LYS 22 2HB LYS 22 57.203 45.919 67.053 153 2HB LYS 22 1HB LYS 22 57.735 47.663 67.310 154 1HG LYS 22 2HG LYS 22 56.278 46.336 69.599 155 2HG LYS 22 1HG LYS 22 57.934 45.683 69.167 156 1HD LYS 22 2HD LYS 22 57.727 48.648 69.024 157 2HD LYS 22 1HD LYS 22 57.334 47.991 70.685 158 1HE LYS 22 2HE LYS 22 59.702 46.554 70.008 159 2HE LYS 22 1HE LYS 22 59.976 48.143 69.208 160 1HZ LYS 22 1HZ LYS 22 59.949 49.240 71.127 161 2HZ LYS 22 2HZ LYS 22 60.585 47.742 71.669 162 3HZ LYS 22 3HZ LYS 22 58.998 48.166 71.948 163 H ALA 23 H ALA 23 55.483 49.490 66.262 164 HA ALA 23 HA ALA 23 55.998 51.305 68.446 165 1HB ALA 23 1HB ALA 23 55.684 51.626 65.687 166 2HB ALA 23 2HB ALA 23 56.007 52.932 66.915 167 3HB ALA 23 3HB ALA 23 54.281 52.542 66.410 168 H LEU 24 H LEU 24 53.335 49.591 67.441 169 HA LEU 24 HA LEU 24 51.741 50.373 69.749 170 1HB LEU 24 2HB LEU 24 49.710 50.975 68.341 171 2HB LEU 24 1HB LEU 24 51.071 52.188 68.203 172 HG LEU 24 HG LEU 24 51.390 50.193 66.046 173 1HD1 LEU 24 1HD1 LEU 24 48.958 51.762 65.418 174 2HD1 LEU 24 2HD1 LEU 24 48.678 50.591 66.736 175 3HD1 LEU 24 3HD1 LEU 24 49.360 49.987 65.167 176 1HD2 LEU 24 1HD2 LEU 24 52.524 52.123 65.639 177 2HD2 LEU 24 2HD2 LEU 24 51.297 53.153 66.476 178 3HD2 LEU 24 3HD2 LEU 24 50.974 52.508 64.809 179 H ASP 25 H ASP 25 51.821 48.467 70.297 180 HA ASP 25 HA ASP 25 51.619 46.012 68.867 181 1HB ASP 25 2HB ASP 25 52.120 46.589 71.467 182 2HB ASP 25 1HB ASP 25 50.294 46.596 71.599 183 H ILE 26 H ILE 26 50.269 46.388 67.320 184 HA ILE 26 HA ILE 26 47.384 46.783 67.849 185 HB ILE 26 HB ILE 26 48.468 48.241 66.175 186 1HG1 ILE 26 2HG1 ILE 26 46.910 46.514 64.280 187 2HG1 ILE 26 1HG1 ILE 26 46.194 47.038 65.897 188 1HG2 ILE 26 1HG2 ILE 26 49.202 45.584 64.739 189 2HG2 ILE 26 2HG2 ILE 26 50.399 46.771 65.398 190 3HG2 ILE 26 3HG2 ILE 26 49.322 47.259 64.012 191 1HD1 ILE 26 1HD1 ILE 26 47.716 48.906 63.906 192 2HD1 ILE 26 2HD1 ILE 26 46.792 49.395 65.408 193 3HD1 ILE 26 3HD1 ILE 26 45.932 48.790 63.970 194 H ASP 27 H ASP 27 49.661 44.554 66.640 195 HA ASP 27 HA ASP 27 49.001 42.140 67.253 196 1HB ASP 27 2HB ASP 27 46.591 42.261 66.783 197 2HB ASP 27 1HB ASP 27 46.978 42.814 65.023 198 H PHE 28 H PHE 28 49.767 40.421 65.682 199 HA PHE 28 HA PHE 28 51.882 41.509 64.005 200 1HB PHE 28 2HB PHE 28 52.625 39.340 64.033 201 2HB PHE 28 1HB PHE 28 51.497 39.301 65.475 202 HD1 PHE 28 HD1 PHE 28 51.528 38.526 61.753 203 HD2 PHE 28 HD2 PHE 28 49.931 37.743 65.616 204 HE1 PHE 28 HE1 PHE 28 50.246 36.594 60.757 205 HE2 PHE 28 HE2 PHE 28 48.609 35.797 64.675 206 HZ PHE 28 HZ PHE 28 48.783 35.235 62.248 207 H ALA 29 H ALA 29 48.583 40.656 63.261 208 HA ALA 29 HA ALA 29 48.959 39.997 60.383 209 1HB ALA 29 1HB ALA 29 46.590 41.510 61.656 210 2HB ALA 29 2HB ALA 29 46.908 39.811 62.136 211 3HB ALA 29 3HB ALA 29 46.501 40.192 60.383 212 H THR 30 H THR 30 49.183 42.830 62.250 213 HA THR 30 HA THR 30 48.620 44.695 60.189 214 HB THR 30 HB THR 30 50.165 45.112 62.773 215 HG1 THR 30 1HG THR 30 47.575 45.877 62.360 216 1HG2 THR 30 1HG2 THR 30 50.434 47.247 61.773 217 2HG2 THR 30 2HG2 THR 30 48.703 47.428 62.176 218 3HG2 THR 30 3HG2 THR 30 49.183 46.887 60.489 219 H ARG 31 H ARG 31 51.523 43.048 61.230 220 HA ARG 31 HA ARG 31 53.460 44.607 59.715 221 1HB ARG 31 2HB ARG 31 54.657 43.711 61.319 222 2HB ARG 31 1HB ARG 31 53.414 42.450 61.703 223 1HG ARG 31 2HG ARG 31 55.156 42.015 59.191 224 2HG ARG 31 1HG ARG 31 55.848 41.783 60.841 225 1HD ARG 31 2HD ARG 31 53.473 40.482 61.209 226 2HD ARG 31 1HD ARG 31 53.606 40.284 59.395 227 HE ARG 31 HE ARG 31 55.196 39.085 61.539 228 1HH1 ARG 31 1HH2 ARG 31 55.132 39.694 57.886 229 2HH1 ARG 31 2HH2 ARG 31 56.276 38.391 57.660 230 1HH2 ARG 31 1HH1 ARG 31 56.679 37.435 60.992 231 2HH2 ARG 31 2HH1 ARG 31 57.093 37.223 59.260 232 H LYS 32 H LYS 32 51.596 41.495 59.224 233 HA LYS 32 HA LYS 32 53.148 40.906 56.841 234 1HB LYS 32 2HB LYS 32 52.046 39.110 58.075 235 2HB LYS 32 1HB LYS 32 50.532 40.085 58.070 236 1HG LYS 32 2HG LYS 32 50.599 39.829 55.398 237 2HG LYS 32 1HG LYS 32 51.883 38.637 55.668 238 1HD LYS 32 2HD LYS 32 50.604 37.008 56.645 239 2HD LYS 32 1HD LYS 32 49.438 38.214 57.348 240 1HE LYS 32 2HE LYS 32 48.082 38.188 55.408 241 2HE LYS 32 1HE LYS 32 49.575 38.283 54.381 242 1HZ LYS 32 1HZ LYS 32 48.485 35.819 55.604 243 2HZ LYS 32 2HZ LYS 32 50.010 35.936 54.879 244 3HZ LYS 32 3HZ LYS 32 48.590 36.228 54.029 245 H ILE 33 H ILE 33 50.305 42.647 57.704 246 HA ILE 33 HA ILE 33 49.316 43.062 54.986 247 HB ILE 33 HB ILE 33 48.756 44.490 57.675 248 1HG1 ILE 33 2HG1 ILE 33 46.950 43.043 57.810 249 2HG1 ILE 33 1HG1 ILE 33 46.314 43.807 56.297 250 1HG2 ILE 33 1HG2 ILE 33 46.897 45.688 56.289 251 2HG2 ILE 33 2HG2 ILE 33 47.806 45.225 54.813 252 3HG2 ILE 33 3HG2 ILE 33 48.584 46.300 56.061 253 1HD1 ILE 33 1HD1 ILE 33 46.720 41.151 56.271 254 2HD1 ILE 33 2HD1 ILE 33 48.464 41.559 56.450 255 3HD1 ILE 33 3HD1 ILE 33 47.515 42.135 54.975 256 H ALA 34 H ALA 34 51.226 44.827 57.430 257 HA ALA 34 HA ALA 34 51.499 47.277 55.897 258 1HB ALA 34 1HB ALA 34 52.802 46.062 58.381 259 2HB ALA 34 2HB ALA 34 51.796 47.558 58.190 260 3HB ALA 34 3HB ALA 34 53.498 47.563 57.623 261 H VAL 35 H VAL 35 52.952 44.205 56.081 262 HA VAL 35 HA VAL 35 55.588 44.880 55.176 263 HB VAL 35 HB VAL 35 54.008 42.339 55.423 264 1HG1 VAL 35 1HG1 VAL 35 55.807 41.039 54.104 265 2HG1 VAL 35 2HG1 VAL 35 56.426 42.608 53.443 266 3HG1 VAL 35 3HG1 VAL 35 54.780 42.065 53.081 267 1HG2 VAL 35 1HG2 VAL 35 56.114 43.644 56.800 268 2HG2 VAL 35 2HG2 VAL 35 57.013 42.451 55.793 269 3HG2 VAL 35 3HG2 VAL 35 55.689 41.849 56.907 270 H ARG 36 H ARG 36 52.722 44.175 53.533 271 HA ARG 36 HA ARG 36 54.116 44.661 50.859 272 1HB ARG 36 2HB ARG 36 51.926 43.413 49.944 273 2HB ARG 36 1HB ARG 36 53.448 42.589 50.454 274 1HG ARG 36 2HG ARG 36 51.534 41.301 51.432 275 2HG ARG 36 1HG ARG 36 52.361 42.241 52.791 276 1HD ARG 36 2HD ARG 36 50.515 43.234 53.258 277 2HD ARG 36 1HD ARG 36 50.473 44.024 51.643 278 HE ARG 36 HE ARG 36 49.638 41.237 51.474 279 1HH1 ARG 36 1HH1 ARG 36 48.383 44.335 52.532 280 2HH1 ARG 36 2HH1 ARG 36 46.666 43.936 52.340 281 1HH2 ARG 36 2HH2 ARG 36 47.332 40.644 51.181 282 2HH2 ARG 36 1HH2 ARG 36 46.101 41.878 51.593 283 H LEU 37 H LEU 37 52.021 46.058 53.003 284 HA LEU 37 HA LEU 37 49.905 46.984 51.345 285 1HB LEU 37 2HB LEU 37 50.932 47.490 54.028 286 2HB LEU 37 1HB LEU 37 50.744 49.090 53.194 287 HG LEU 37 HG LEU 37 48.645 46.915 53.235 288 1HD1 LEU 37 1HD1 LEU 37 49.167 48.097 55.442 289 2HD1 LEU 37 2HD1 LEU 37 47.458 48.101 54.867 290 3HD1 LEU 37 3HD1 LEU 37 48.483 49.604 54.682 291 1HD2 LEU 37 1HD2 LEU 37 47.496 49.475 52.550 292 2HD2 LEU 37 2HD2 LEU 37 48.056 48.230 51.334 293 3HD2 LEU 37 3HD2 LEU 37 49.187 49.562 51.865 294 H THR 38 H THR 38 49.719 48.318 49.866 295 HA THR 38 HA THR 38 51.950 50.194 49.270 296 HB THR 38 HB THR 38 50.745 49.708 46.807 297 HG1 THR 38 1HG THR 38 51.004 47.115 47.562 298 1HG2 THR 38 1HG2 THR 38 53.035 48.228 48.216 299 2HG2 THR 38 2HG2 THR 38 53.227 49.447 46.930 300 3HG2 THR 38 3HG2 THR 38 52.562 47.803 46.502 301 H GLN 39 H GLN 39 50.204 51.078 50.987 302 HA GLN 39 HA GLN 39 47.894 52.187 49.770 303 1HB GLN 39 2HB GLN 39 47.861 53.656 51.774 304 2HB GLN 39 1HB GLN 39 48.408 51.961 52.219 305 1HG GLN 39 2HG GLN 39 50.802 52.830 51.641 306 2HG GLN 39 1HG GLN 39 50.089 54.519 51.838 307 1HE2 GLN 39 2HE2 GLN 39 50.368 55.337 53.775 308 2HE2 GLN 39 1HE2 GLN 39 50.336 54.496 55.311 309 H THR 40 H THR 40 47.452 54.388 49.832 310 HA THR 40 HA THR 40 49.295 56.062 48.167 311 HB THR 40 HB THR 40 46.284 56.447 48.427 312 HG1 THR 40 1HG THR 40 46.063 54.978 46.629 313 1HG2 THR 40 1HG2 THR 40 48.155 57.810 46.921 314 2HG2 THR 40 2HG2 THR 40 46.482 57.497 46.314 315 3HG2 THR 40 3HG2 THR 40 47.846 56.434 45.778 316 H LYS 41 H LYS 41 49.889 57.927 48.759 317 HA LYS 41 HA LYS 41 48.245 59.186 51.016 318 1HB LYS 41 2HB LYS 41 50.323 57.869 51.915 319 2HB LYS 41 1HB LYS 41 51.322 59.026 50.907 320 1HG LYS 41 2HG LYS 41 49.869 60.796 52.408 321 2HG LYS 41 1HG LYS 41 49.855 59.315 53.497 322 1HD LYS 41 2HD LYS 41 51.779 60.963 53.994 323 2HD LYS 41 1HD LYS 41 52.467 59.411 53.334 324 1HE LYS 41 2HE LYS 41 52.818 60.227 51.230 325 2HE LYS 41 1HE LYS 41 51.763 61.717 51.507 326 1HZ LYS 41 1HZ LYS 41 54.294 61.999 51.554 327 2HZ LYS 41 2HZ LYS 41 54.274 61.033 52.937 328 3HZ LYS 41 3HZ LYS 41 53.525 62.526 52.929 329 H ILE 42 H ILE 42 48.436 61.486 51.291 330 HA ILE 42 HA ILE 42 50.259 62.743 49.388 331 HB ILE 42 HB ILE 42 48.756 62.234 47.632 332 1HG1 ILE 42 2HG1 ILE 42 47.641 64.864 48.715 333 2HG1 ILE 42 1HG1 ILE 42 49.069 64.737 47.587 334 1HG2 ILE 42 1HG2 ILE 42 46.818 61.679 49.553 335 2HG2 ILE 42 2HG2 ILE 42 46.609 61.678 47.803 336 3HG2 ILE 42 3HG2 ILE 42 46.113 63.121 48.783 337 1HD1 ILE 42 1HD1 ILE 42 46.212 63.822 46.909 338 2HD1 ILE 42 2HD1 ILE 42 47.633 63.636 45.826 339 3HD1 ILE 42 3HD1 ILE 42 47.048 65.293 46.240 340 H ILE 43 H ILE 43 50.924 64.409 50.220 341 HA ILE 43 HA ILE 43 49.782 65.818 52.531 342 HB ILE 43 HB ILE 43 52.192 66.288 50.726 343 1HG1 ILE 43 2HG1 ILE 43 52.138 64.616 53.354 344 2HG1 ILE 43 1HG1 ILE 43 52.002 63.879 51.713 345 1HG2 ILE 43 1HG2 ILE 43 51.518 67.112 53.628 346 2HG2 ILE 43 2HG2 ILE 43 52.059 68.177 52.259 347 3HG2 ILE 43 3HG2 ILE 43 53.230 67.031 53.012 348 1HD1 ILE 43 1HD1 ILE 43 54.314 63.977 51.644 349 2HD1 ILE 43 2HD1 ILE 43 54.356 64.922 53.247 350 3HD1 ILE 43 3HD1 ILE 43 54.216 65.785 51.732 351 H VAL 44 H VAL 44 50.008 68.243 52.477 352 HA VAL 44 HA VAL 44 49.943 69.442 49.748 353 HB VAL 44 HB VAL 44 47.750 68.308 49.888 354 1HG1 VAL 44 1HG1 VAL 44 46.404 70.410 51.494 355 2HG1 VAL 44 2HG1 VAL 44 47.543 69.394 52.462 356 3HG1 VAL 44 3HG1 VAL 44 46.226 68.583 51.506 357 1HG2 VAL 44 1HG2 VAL 44 48.024 71.357 49.433 358 2HG2 VAL 44 2HG2 VAL 44 46.401 70.542 49.286 359 3HG2 VAL 44 3HG2 VAL 44 47.793 70.063 48.228 360 H GLN 45 H GLN 45 51.548 70.179 51.583 361 HA GLN 45 HA GLN 45 51.369 71.856 53.579 362 1HB GLN 45 2HB GLN 45 53.243 71.300 51.745 363 2HB GLN 45 1HB GLN 45 52.903 72.990 51.202 364 1HG GLN 45 2HG GLN 45 53.336 73.826 53.474 365 2HG GLN 45 1HG GLN 45 53.377 72.048 54.099 366 1HE2 GLN 45 2HE2 GLN 45 55.140 74.545 53.874 367 2HE2 GLN 45 1HE2 GLN 45 56.722 73.883 53.099 368 H ASP 46 H ASP 46 50.844 73.575 54.354 369 HA ASP 46 HA ASP 46 49.799 75.653 52.426 370 1HB ASP 46 2HB ASP 46 48.197 73.868 53.725 371 2HB ASP 46 1HB ASP 46 48.170 75.174 54.995 372 H GLY 47 H GLY 47 52.069 75.439 54.301 373 1HA GLY 47 1HA GLY 47 53.119 77.680 54.920 374 2HA GLY 47 2HA GLY 47 51.549 78.052 55.809 375 H ASP 48 H ASP 48 50.987 76.655 57.416 376 HA ASP 48 HA ASP 48 53.242 75.432 59.008 377 1HB ASP 48 2HB ASP 48 51.954 76.808 61.007 378 2HB ASP 48 1HB ASP 48 53.219 77.677 59.921 379 H ASN 49 H ASN 49 50.718 74.637 57.587 380 HA ASN 49 HA ASN 49 49.952 72.464 59.469 381 1HB ASN 49 2HB ASN 49 47.395 73.352 59.064 382 2HB ASN 49 1HB ASN 49 48.425 73.765 60.572 383 1HD2 ASN 49 2HD2 ASN 49 48.251 74.734 57.207 384 2HD2 ASN 49 1HD2 ASN 49 48.033 76.572 57.625 385 H PHE 50 H PHE 50 50.868 71.389 57.850 386 HA PHE 50 HA PHE 50 49.459 71.284 55.251 387 1HB PHE 50 2HB PHE 50 51.152 69.528 54.648 388 2HB PHE 50 1HB PHE 50 51.903 71.023 55.316 389 HD1 PHE 50 HD1 PHE 50 53.252 70.942 57.156 390 HD2 PHE 50 HD2 PHE 50 50.555 67.738 56.317 391 HE1 PHE 50 HE1 PHE 50 54.228 69.560 59.103 392 HE2 PHE 50 HE2 PHE 50 51.502 66.345 58.229 393 HZ PHE 50 HZ PHE 50 53.332 67.370 59.549 394 H LYS 51 H LYS 51 48.966 68.924 54.330 395 HA LYS 51 HA LYS 51 47.759 67.369 56.504 396 1HB LYS 51 2HB LYS 51 46.203 69.282 55.845 397 2HB LYS 51 1HB LYS 51 46.098 68.554 54.177 398 1HG LYS 51 2HG LYS 51 45.499 66.703 56.525 399 2HG LYS 51 1HG LYS 51 44.303 68.066 56.218 400 1HD LYS 51 2HD LYS 51 44.360 67.425 53.843 401 2HD LYS 51 1HD LYS 51 45.475 66.022 54.215 402 1HE LYS 51 2HE LYS 51 42.921 65.602 53.875 403 2HE LYS 51 1HE LYS 51 43.754 64.773 55.294 404 1HZ LYS 51 1HZ LYS 51 42.703 66.205 56.736 405 2HZ LYS 51 2HZ LYS 51 41.467 66.186 55.654 406 3HZ LYS 51 3HZ LYS 51 42.579 67.470 55.659 407 H THR 52 H THR 52 47.898 65.368 56.278 408 HA THR 52 HA THR 52 47.925 64.278 53.455 409 HB THR 52 HB THR 52 50.217 64.457 54.153 410 HG1 THR 52 1HG THR 52 49.715 62.614 53.295 411 1HG2 THR 52 1HG2 THR 52 49.085 63.799 56.910 412 2HG2 THR 52 2HG2 THR 52 50.623 64.746 56.489 413 3HG2 THR 52 3HG2 THR 52 50.644 62.982 56.509 414 H LYS 53 H LYS 53 47.270 62.129 53.169 415 HA LYS 53 HA LYS 53 46.315 60.806 55.685 416 1HB LYS 53 2HB LYS 53 44.442 60.523 53.234 417 2HB LYS 53 1HB LYS 53 44.088 60.545 54.993 418 1HG LYS 53 2HG LYS 53 43.183 62.589 54.415 419 2HG LYS 53 1HG LYS 53 44.912 63.122 54.660 420 1HD LYS 53 2HD LYS 53 44.145 64.049 52.577 421 2HD LYS 53 1HD LYS 53 45.317 62.680 52.227 422 1HE LYS 53 2HE LYS 53 43.161 62.638 50.681 423 2HE LYS 53 1HE LYS 53 43.454 61.152 51.728 424 1HZ LYS 53 1HZ LYS 53 41.748 61.678 53.066 425 2HZ LYS 53 2HZ LYS 53 41.089 62.305 51.694 426 3HZ LYS 53 3HZ LYS 53 41.824 63.329 52.768 427 H THR 54 H THR 54 45.462 58.682 55.058 428 HA THR 54 HA THR 54 47.398 57.366 53.100 429 HB THR 54 HB THR 54 47.161 55.331 54.740 430 HG1 THR 54 1HG THR 54 46.692 55.890 56.722 431 1HG2 THR 54 1HG2 THR 54 49.152 56.864 54.009 432 2HG2 THR 54 2HG2 THR 54 49.366 56.088 55.680 433 3HG2 THR 54 3HG2 THR 54 48.928 57.795 55.548 434 H ASN 55 H ASN 55 46.778 55.254 52.450 435 HA ASN 55 HA ASN 55 43.782 54.882 52.318 436 1HB ASN 55 2HB ASN 55 45.646 55.568 50.077 437 2HB ASN 55 1HB ASN 55 44.216 54.383 49.741 438 1HD2 ASN 55 2HD2 ASN 55 42.283 55.164 50.972 439 2HD2 ASN 55 1HD2 ASN 55 41.860 56.986 50.748 440 H SER 56 H SER 56 45.224 53.608 53.889 441 HA SER 56 HA SER 56 45.995 50.905 52.922 442 1HB SER 56 2HB SER 56 45.964 50.910 55.737 443 2HB SER 56 1HB SER 56 47.397 51.328 54.645 444 HG SER 56 HG SER 56 46.102 52.912 56.277 445 H THR 57 H THR 57 44.693 49.524 52.660 446 HA THR 57 HA THR 57 41.845 49.487 53.159 447 HB THR 57 HB THR 57 43.908 47.385 52.378 448 HG1 THR 57 1HG THR 57 41.693 48.428 50.945 449 1HG2 THR 57 1HG2 THR 57 41.418 46.237 51.768 450 2HG2 THR 57 2HG2 THR 57 41.012 46.947 53.349 451 3HG2 THR 57 3HG2 THR 57 42.389 45.832 53.265 452 H PHE 58 H PHE 58 44.564 48.621 54.958 453 HA PHE 58 HA PHE 58 43.049 47.123 57.056 454 1HB PHE 58 2HB PHE 58 45.919 47.540 56.580 455 2HB PHE 58 1HB PHE 58 45.537 48.344 58.132 456 HD1 PHE 58 HD1 PHE 58 43.893 45.265 56.630 457 HD2 PHE 58 HD2 PHE 58 46.504 46.959 59.644 458 HE1 PHE 58 HE1 PHE 58 44.004 43.033 57.850 459 HE2 PHE 58 HE2 PHE 58 46.554 44.702 60.771 460 HZ PHE 58 HZ PHE 58 45.331 42.814 59.888 461 H ARG 59 H ARG 59 44.237 50.408 56.696 462 HA ARG 59 HA ARG 59 42.171 51.403 58.536 463 1HB ARG 59 2HB ARG 59 44.829 50.628 59.731 464 2HB ARG 59 1HB ARG 59 44.265 52.323 60.050 465 1HG ARG 59 2HG ARG 59 42.724 51.606 61.564 466 2HG ARG 59 1HG ARG 59 42.016 50.476 60.323 467 1HD ARG 59 2HD ARG 59 44.553 49.372 61.231 468 2HD ARG 59 1HD ARG 59 43.668 49.932 62.680 469 HE ARG 59 HE ARG 59 42.883 47.782 60.768 470 1HH1 ARG 59 1HH2 ARG 59 41.995 49.853 63.636 471 2HH1 ARG 59 2HH2 ARG 59 40.722 48.748 64.114 472 1HH2 ARG 59 2HH1 ARG 59 41.114 46.397 61.583 473 2HH2 ARG 59 1HH1 ARG 59 40.239 46.854 63.009 474 H ASN 60 H ASN 60 41.826 53.334 58.527 475 HA ASN 60 HA ASN 60 43.674 55.003 56.834 476 1HB ASN 60 2HB ASN 60 41.357 56.624 57.404 477 2HB ASN 60 1HB ASN 60 41.528 55.603 55.872 478 1HD2 ASN 60 1HD2 ASN 60 40.153 54.205 55.503 479 2HD2 ASN 60 2HD2 ASN 60 38.914 53.581 56.614 480 H TYR 61 H TYR 61 44.630 56.628 57.432 481 HA TYR 61 HA TYR 61 44.162 57.733 60.156 482 1HB TYR 61 2HB TYR 61 45.669 55.732 60.405 483 2HB TYR 61 1HB TYR 61 46.847 56.522 59.264 484 HD1 TYR 61 HD1 TYR 61 44.675 57.560 62.121 485 HD2 TYR 61 HD2 TYR 61 48.685 57.414 60.554 486 HE1 TYR 61 HE1 TYR 61 45.441 58.757 64.151 487 HE2 TYR 61 HE2 TYR 61 49.473 58.598 62.599 488 HH TYR 61 HH TYR 61 48.220 60.279 64.365 489 H ASP 62 H ASP 62 44.416 59.880 60.031 490 HA ASP 62 HA ASP 62 46.101 61.134 57.850 491 1HB ASP 62 2HB ASP 62 43.765 62.338 59.484 492 2HB ASP 62 1HB ASP 62 44.597 62.990 57.953 493 H LEU 63 H LEU 63 47.755 62.261 58.257 494 HA LEU 63 HA LEU 63 48.285 62.892 61.162 495 1HB LEU 63 2HB LEU 63 49.870 61.682 59.234 496 2HB LEU 63 1HB LEU 63 50.487 63.382 59.158 497 HG LEU 63 HG LEU 63 51.763 61.947 60.809 498 1HD1 LEU 63 1HD1 LEU 63 50.115 64.113 62.328 499 2HD1 LEU 63 2HD1 LEU 63 51.369 64.428 61.050 500 3HD1 LEU 63 3HD1 LEU 63 51.817 63.582 62.566 501 1HD2 LEU 63 1HD2 LEU 63 50.664 60.491 62.171 502 2HD2 LEU 63 2HD2 LEU 63 49.205 60.940 61.204 503 3HD2 LEU 63 3HD2 LEU 63 49.534 61.811 62.774 504 H ASP 64 H ASP 64 46.386 64.635 59.725 505 HA ASP 64 HA ASP 64 47.690 67.004 58.771 506 1HB ASP 64 2HB ASP 64 45.289 66.692 58.561 507 2HB ASP 64 1HB ASP 64 45.115 66.401 60.417 508 H PHE 65 H PHE 65 49.155 68.221 59.807 509 HA PHE 65 HA PHE 65 48.876 68.858 62.702 510 1HB PHE 65 2HB PHE 65 50.184 66.753 62.702 511 2HB PHE 65 1HB PHE 65 51.167 67.341 61.316 512 HD1 PHE 65 HD1 PHE 65 53.392 67.773 62.232 513 HD2 PHE 65 HD2 PHE 65 49.846 68.863 64.438 514 HE1 PHE 65 HE1 PHE 65 54.764 68.817 63.931 515 HE2 PHE 65 HE2 PHE 65 51.210 69.909 66.152 516 HZ PHE 65 HZ PHE 65 53.724 69.911 65.928 517 H THR 66 H THR 66 49.687 70.572 63.240 518 HA THR 66 HA THR 66 50.344 72.666 61.371 519 HB THR 66 HB THR 66 51.019 72.928 64.278 520 HG1 THR 66 1HG THR 66 49.355 71.771 64.714 521 1HG2 THR 66 1HG2 THR 66 50.580 75.009 62.828 522 2HG2 THR 66 2HG2 THR 66 49.434 74.844 64.198 523 3HG2 THR 66 3HG2 THR 66 48.864 74.399 62.541 524 H VAL 67 H VAL 67 52.328 73.206 60.709 525 HA VAL 67 HA VAL 67 54.663 71.623 61.469 526 HB VAL 67 HB VAL 67 54.479 74.263 59.962 527 1HG1 VAL 67 1HG1 VAL 67 56.397 72.175 59.022 528 2HG1 VAL 67 2HG1 VAL 67 56.700 72.627 60.727 529 3HG1 VAL 67 3HG1 VAL 67 56.665 73.974 59.464 530 1HG2 VAL 67 1HG2 VAL 67 53.990 73.030 57.954 531 2HG2 VAL 67 2HG2 VAL 67 53.003 72.113 59.203 532 3HG2 VAL 67 3HG2 VAL 67 54.629 71.523 58.641 533 H GLY 68 H GLY 68 55.047 71.814 63.587 534 1HA GLY 68 1HA GLY 68 56.870 72.881 64.880 535 2HA GLY 68 2HA GLY 68 56.375 74.478 64.151 536 H VAL 69 H VAL 69 53.517 73.335 64.711 537 HA VAL 69 HA VAL 69 53.510 74.275 67.609 538 HB VAL 69 HB VAL 69 50.996 74.365 65.865 539 1HG1 VAL 69 1HG1 VAL 69 52.295 76.320 67.750 540 2HG1 VAL 69 2HG1 VAL 69 50.760 75.472 67.926 541 3HG1 VAL 69 3HG1 VAL 69 50.890 76.747 66.604 542 1HG2 VAL 69 1HG2 VAL 69 51.698 76.365 64.570 543 2HG2 VAL 69 2HG2 VAL 69 52.500 74.871 64.060 544 3HG2 VAL 69 3HG2 VAL 69 53.430 76.113 65.103 545 H GLU 70 H GLU 70 53.627 72.595 68.611 546 HA GLU 70 HA GLU 70 52.691 70.044 67.946 547 1HB GLU 70 2HB GLU 70 54.023 70.191 69.924 548 2HB GLU 70 1HB GLU 70 52.803 71.355 70.681 549 1HG GLU 70 2HG GLU 70 51.127 69.790 70.881 550 2HG GLU 70 1HG GLU 70 52.231 68.429 70.132 551 H PHE 71 H PHE 71 51.237 68.704 68.281 552 HA PHE 71 HA PHE 71 48.466 69.777 68.879 553 1HB PHE 71 2HB PHE 71 48.976 69.996 66.459 554 2HB PHE 71 1HB PHE 71 49.079 68.176 66.321 555 HD1 PHE 71 HD1 PHE 71 47.043 66.899 66.256 556 HD2 PHE 71 HD2 PHE 71 46.887 71.039 67.208 557 HE1 PHE 71 HE1 PHE 71 44.615 66.825 66.040 558 HE2 PHE 71 HE2 PHE 71 44.441 71.047 67.018 559 HZ PHE 71 HZ PHE 71 43.240 68.879 66.403 560 H ASP 72 H ASP 72 47.827 68.361 70.506 561 HA ASP 72 HA ASP 72 48.620 65.604 70.604 562 1HB ASP 72 2HB ASP 72 46.620 65.365 72.196 563 2HB ASP 72 1HB ASP 72 47.726 66.790 72.551 564 H GLU 73 H GLU 73 48.056 63.865 69.683 565 HA GLU 73 HA GLU 73 45.478 63.748 68.035 566 1HB GLU 73 2HB GLU 73 48.300 63.406 67.263 567 2HB GLU 73 1HB GLU 73 47.494 61.817 67.186 568 1HG GLU 73 2HG GLU 73 45.817 64.063 66.141 569 2HG GLU 73 1HG GLU 73 47.371 63.760 65.161 570 H HIS 74 H HIS 74 44.941 61.565 67.522 571 HA HIS 74 HA HIS 74 45.359 59.661 69.786 572 1HB HIS 74 2HB HIS 74 42.919 61.271 69.289 573 2HB HIS 74 1HB HIS 74 42.578 59.491 69.156 574 HD1 HIS 74 HD1 HIS 74 42.975 62.011 71.896 575 HD2 HIS 74 HD2 HIS 74 43.695 57.905 71.195 576 HE1 HIS 74 HE1 HIS 74 43.217 60.930 74.195 577 HE2 HIS 74 HE2 HIS 74 43.654 58.457 73.743 578 H THR 75 H THR 75 45.511 57.675 69.141 579 HA THR 75 HA THR 75 44.872 56.974 66.284 580 HB THR 75 HB THR 75 46.308 55.031 66.571 581 HG1 THR 75 1HG THR 75 45.865 54.345 68.535 582 1HG2 THR 75 1HG2 THR 75 47.359 57.582 68.083 583 2HG2 THR 75 2HG2 THR 75 47.571 57.191 66.325 584 3HG2 THR 75 3HG2 THR 75 48.480 56.259 67.605 585 H LYS 76 H LYS 76 42.847 57.284 68.256 586 HA LYS 76 HA LYS 76 41.755 55.068 69.530 587 1HB LYS 76 2HB LYS 76 40.549 57.407 67.937 588 2HB LYS 76 1HB LYS 76 39.506 56.011 68.388 589 1HG LYS 76 2HG LYS 76 40.784 56.233 70.789 590 2HG LYS 76 1HG LYS 76 41.053 57.913 70.136 591 1HD LYS 76 2HD LYS 76 38.828 58.440 70.325 592 2HD LYS 76 1HD LYS 76 38.242 56.764 69.931 593 1HE LYS 76 2HE LYS 76 38.332 56.132 72.236 594 2HE LYS 76 1HE LYS 76 39.924 57.017 72.424 595 1HZ LYS 76 1HZ LYS 76 37.203 57.915 72.918 596 2HZ LYS 76 2HZ LYS 76 38.263 59.047 72.290 597 3HZ LYS 76 3HZ LYS 76 38.622 58.277 73.715 598 H GLY 77 H GLY 77 40.878 55.966 66.247 599 1HA GLY 77 1HA GLY 77 39.305 53.795 65.501 600 2HA GLY 77 2HA GLY 77 40.371 54.616 64.311 601 H LEU 78 H LEU 78 42.781 54.204 65.260 602 HA LEU 78 HA LEU 78 43.389 51.592 64.138 603 1HB LEU 78 2HB LEU 78 44.868 53.915 65.336 604 2HB LEU 78 1HB LEU 78 45.764 52.301 65.162 605 HG LEU 78 HG LEU 78 44.435 52.654 62.724 606 1HD1 LEU 78 1HD1 LEU 78 44.514 54.800 61.919 607 2HD1 LEU 78 2HD1 LEU 78 45.726 55.403 63.128 608 3HD1 LEU 78 3HD1 LEU 78 43.993 55.112 63.629 609 1HD2 LEU 78 1HD2 LEU 78 47.180 52.951 63.869 610 2HD2 LEU 78 2HD2 LEU 78 47.021 53.779 62.269 611 3HD2 LEU 78 3HD2 LEU 78 46.648 52.014 62.401 612 H ASP 79 H ASP 79 45.260 52.385 67.088 613 HA ASP 79 HA ASP 79 44.123 49.868 68.230 614 1HB ASP 79 2HB ASP 79 46.542 49.845 67.290 615 2HB ASP 79 1HB ASP 79 46.993 50.875 68.807 616 H GLY 80 H GLY 80 44.000 53.059 68.466 617 1HA GLY 80 1HA GLY 80 43.790 54.677 69.969 618 2HA GLY 80 2HA GLY 80 42.937 53.370 70.939 619 H ARG 81 H ARG 81 45.421 55.588 70.712 620 HA ARG 81 HA ARG 81 46.521 54.535 73.366 621 1HB ARG 81 2HB ARG 81 48.010 54.974 70.792 622 2HB ARG 81 1HB ARG 81 48.826 55.601 72.267 623 1HG ARG 81 2HG ARG 81 49.579 53.476 72.538 624 2HG ARG 81 1HG ARG 81 47.997 53.260 73.319 625 1HD ARG 81 2HD ARG 81 48.998 51.657 71.266 626 2HD ARG 81 1HD ARG 81 47.201 51.831 71.611 627 HE ARG 81 HE ARG 81 47.004 52.745 69.508 628 1HH1 ARG 81 2HH2 ARG 81 50.347 53.210 70.725 629 2HH1 ARG 81 1HH2 ARG 81 50.874 53.959 69.231 630 1HH2 ARG 81 2HH1 ARG 81 47.696 53.706 67.609 631 2HH2 ARG 81 1HH1 ARG 81 49.341 54.242 67.377 632 H ASN 82 H ASN 82 47.961 57.247 71.613 633 HA ASN 82 HA ASN 82 46.786 59.526 72.292 634 1HB ASN 82 2HB ASN 82 46.399 59.459 74.614 635 2HB ASN 82 1HB ASN 82 47.830 58.298 74.925 636 1HD2 ASN 82 1HD2 ASN 82 49.623 58.865 75.545 637 2HD2 ASN 82 2HD2 ASN 82 50.116 60.551 75.661 638 H VAL 83 H VAL 83 47.893 60.859 71.329 639 HA VAL 83 HA VAL 83 50.939 60.810 71.587 640 HB VAL 83 HB VAL 83 51.421 60.580 69.399 641 1HG1 VAL 83 1HG1 VAL 83 50.549 58.459 69.732 642 2HG1 VAL 83 2HG1 VAL 83 49.765 58.978 68.199 643 3HG1 VAL 83 3HG1 VAL 83 48.831 58.990 69.795 644 1HG2 VAL 83 1HG2 VAL 83 49.781 61.108 67.517 645 2HG2 VAL 83 2HG2 VAL 83 50.163 62.488 68.587 646 3HG2 VAL 83 3HG2 VAL 83 48.572 61.554 68.829 647 H LYS 84 H LYS 84 51.953 62.497 70.742 648 HA LYS 84 HA LYS 84 50.608 65.144 70.552 649 1HB LYS 84 2HB LYS 84 52.991 64.484 72.295 650 2HB LYS 84 1HB LYS 84 52.180 66.115 72.125 651 1HG LYS 84 2HG LYS 84 50.858 65.471 73.865 652 2HG LYS 84 1HG LYS 84 49.985 64.487 72.595 653 1HD LYS 84 2HD LYS 84 50.469 62.971 74.468 654 2HD LYS 84 1HD LYS 84 51.550 62.580 73.069 655 1HE LYS 84 2HE LYS 84 53.342 62.788 74.669 656 2HE LYS 84 1HE LYS 84 53.041 64.551 74.317 657 1HZ LYS 84 1HZ LYS 84 53.016 63.982 76.725 658 2HZ LYS 84 2HZ LYS 84 51.643 63.065 76.506 659 3HZ LYS 84 3HZ LYS 84 51.651 64.706 76.189 660 H THR 85 H THR 85 50.971 65.252 68.462 661 HA THR 85 HA THR 85 53.347 64.615 66.967 662 HB THR 85 HB THR 85 50.891 66.259 66.380 663 HG1 THR 85 1HG THR 85 51.443 63.564 66.068 664 1HG2 THR 85 1HG2 THR 85 52.641 66.371 64.535 665 2HG2 THR 85 2HG2 THR 85 51.491 65.057 64.016 666 3HG2 THR 85 3HG2 THR 85 53.119 64.660 64.761 667 H LEU 86 H LEU 86 55.016 65.652 66.378 668 HA LEU 86 HA LEU 86 55.024 68.542 66.439 669 1HB LEU 86 2HB LEU 86 55.691 67.784 68.810 670 2HB LEU 86 1HB LEU 86 57.157 67.018 67.990 671 HG LEU 86 HG LEU 86 56.703 69.891 67.234 672 1HD1 LEU 86 1HD1 LEU 86 58.233 69.695 69.773 673 2HD1 LEU 86 2HD1 LEU 86 56.481 69.215 69.965 674 3HD1 LEU 86 3HD1 LEU 86 56.887 70.839 69.298 675 1HD2 LEU 86 1HD2 LEU 86 58.724 68.489 66.541 676 2HD2 LEU 86 2HD2 LEU 86 59.096 68.165 68.276 677 3HD2 LEU 86 3HD2 LEU 86 59.217 69.871 67.606 678 H VAL 87 H VAL 87 56.358 69.422 65.101 679 HA VAL 87 HA VAL 87 58.523 67.859 63.762 680 HB VAL 87 HB VAL 87 56.049 67.950 62.518 681 1HG1 VAL 87 1HG1 VAL 87 56.203 70.582 62.632 682 2HG1 VAL 87 2HG1 VAL 87 55.790 69.814 61.065 683 3HG1 VAL 87 3HG1 VAL 87 57.501 70.404 61.411 684 1HG2 VAL 87 1HG2 VAL 87 57.504 66.837 61.038 685 2HG2 VAL 87 2HG2 VAL 87 58.899 67.981 61.361 686 3HG2 VAL 87 3HG2 VAL 87 57.558 68.393 60.230 687 H THR 88 H THR 88 59.968 69.092 62.604 688 HA THR 88 HA THR 88 59.915 72.022 62.797 689 HB THR 88 HB THR 88 62.424 71.615 63.761 690 HG1 THR 88 1HG THR 88 62.605 69.666 64.828 691 1HG2 THR 88 1HG2 THR 88 60.661 70.550 65.941 692 2HG2 THR 88 2HG2 THR 88 59.834 71.936 65.182 693 3HG2 THR 88 3HG2 THR 88 61.520 72.161 65.834 694 H TRP 89 H TRP 89 60.222 72.426 60.789 695 HA TRP 89 HA TRP 89 61.255 71.062 58.494 696 1HB TRP 89 2HB TRP 89 61.264 73.990 59.444 697 2HB TRP 89 1HB TRP 89 62.184 73.545 57.995 698 HD1 TRP 89 HD1 TRP 89 58.583 73.613 59.441 699 HE1 TRP 89 HE1 TRP 89 57.077 73.298 57.380 700 HE3 TRP 89 HE3 TRP 89 62.076 72.688 56.033 701 HZ2 TRP 89 HZ2 TRP 89 57.417 72.694 54.515 702 HZ3 TRP 89 HZ3 TRP 89 61.585 72.242 53.696 703 HH2 TRP 89 HH2 TRP 89 59.263 72.251 52.949 704 H GLU 90 H GLU 90 63.245 70.240 57.835 705 HA GLU 90 HA GLU 90 65.511 71.469 59.356 706 1HB GLU 90 2HB GLU 90 64.708 68.556 58.982 707 2HB GLU 90 1HB GLU 90 66.461 69.043 59.108 708 1HG GLU 90 2HG GLU 90 64.678 70.237 61.273 709 2HG GLU 90 1HG GLU 90 64.852 68.370 61.218 710 H GLY 91 H GLY 91 65.352 72.702 57.496 711 1HA GLY 91 1HA GLY 91 66.711 73.585 55.847 712 2HA GLY 91 2HA GLY 91 67.421 71.929 55.414 713 H ASN 92 H ASN 92 66.309 70.499 54.566 714 HA ASN 92 HA ASN 92 63.879 71.022 52.885 715 1HB ASN 92 2HB ASN 92 65.126 69.238 51.286 716 2HB ASN 92 1HB ASN 92 65.594 71.049 51.138 717 1HD2 ASN 92 2HD2 ASN 92 66.742 67.906 51.524 718 2HD2 ASN 92 1HD2 ASN 92 68.310 68.341 52.188 719 H THR 93 H THR 93 63.252 70.298 54.862 720 HA THR 93 HA THR 93 62.202 67.624 54.811 721 HB THR 93 HB THR 93 63.490 67.513 57.352 722 HG1 THR 93 1HG THR 93 65.582 67.385 56.708 723 1HG2 THR 93 1HG2 THR 93 63.169 65.833 54.823 724 2HG2 THR 93 2HG2 THR 93 63.017 65.360 56.549 725 3HG2 THR 93 3HG2 THR 93 64.648 65.443 55.791 726 H LEU 94 H LEU 94 61.337 67.078 57.018 727 HA LEU 94 HA LEU 94 60.390 69.182 58.787 728 1HB LEU 94 2HB LEU 94 57.885 68.697 58.274 729 2HB LEU 94 1HB LEU 94 58.753 69.805 57.144 730 HG LEU 94 HG LEU 94 59.212 67.037 56.458 731 1HD1 LEU 94 1HD1 LEU 94 56.213 67.803 56.081 732 2HD1 LEU 94 2HD1 LEU 94 56.741 66.914 57.561 733 3HD1 LEU 94 3HD1 LEU 94 56.949 66.150 55.935 734 1HD2 LEU 94 1HD2 LEU 94 58.129 69.468 55.121 735 2HD2 LEU 94 2HD2 LEU 94 57.875 67.925 54.250 736 3HD2 LEU 94 3HD2 LEU 94 59.577 68.497 54.700 737 H VAL 95 H VAL 95 61.680 67.667 59.634 738 HA VAL 95 HA VAL 95 61.181 64.977 60.244 739 HB VAL 95 HB VAL 95 62.317 67.324 61.864 740 1HG1 VAL 95 1HG1 VAL 95 62.618 64.287 62.407 741 2HG1 VAL 95 2HG1 VAL 95 62.247 65.657 63.564 742 3HG1 VAL 95 3HG1 VAL 95 63.894 65.467 62.782 743 1HG2 VAL 95 1HG2 VAL 95 63.484 65.184 59.944 744 2HG2 VAL 95 2HG2 VAL 95 64.595 66.183 61.030 745 3HG2 VAL 95 3HG2 VAL 95 63.665 67.024 59.756 746 H CYS 96 H CYS 96 59.130 64.626 60.672 747 HA CYS 96 HA CYS 96 57.922 65.746 63.139 748 1HB CYS 96 2HB CYS 96 56.705 65.087 60.655 749 2HB CYS 96 1HB CYS 96 56.556 63.541 61.432 750 HG CYS 96 HG CYS 96 54.315 64.666 62.012 751 H VAL 97 H VAL 97 57.132 64.600 64.697 752 HA VAL 97 HA VAL 97 57.757 61.783 65.084 753 HB VAL 97 HB VAL 97 58.877 62.751 67.361 754 1HG1 VAL 97 1HG1 VAL 97 60.369 62.477 64.678 755 2HG1 VAL 97 2HG1 VAL 97 59.942 61.032 65.721 756 3HG1 VAL 97 3HG1 VAL 97 61.104 62.233 66.338 757 1HG2 VAL 97 1HG2 VAL 97 58.696 65.127 66.544 758 2HG2 VAL 97 2HG2 VAL 97 59.718 64.677 65.114 759 3HG2 VAL 97 3HG2 VAL 97 60.376 64.601 66.849 760 H GLN 98 H GLN 98 57.319 61.351 67.579 761 HA GLN 98 HA GLN 98 55.009 62.851 68.687 762 1HB GLN 98 2HB GLN 98 55.268 59.820 68.034 763 2HB GLN 98 1HB GLN 98 53.914 60.439 69.147 764 1HG GLN 98 2HG GLN 98 53.113 61.923 67.298 765 2HG GLN 98 1HG GLN 98 54.388 61.116 66.209 766 1HE2 GLN 98 1HE2 GLN 98 52.261 60.858 65.125 767 2HE2 GLN 98 2HE2 GLN 98 51.367 59.341 65.470 768 H LYS 99 H LYS 99 54.575 62.512 70.837 769 HA LYS 99 HA LYS 99 57.004 61.398 72.345 770 1HB LYS 99 2HB LYS 99 55.195 63.652 73.191 771 2HB LYS 99 1HB LYS 99 56.795 63.261 73.908 772 1HG LYS 99 2HG LYS 99 56.377 64.198 70.992 773 2HG LYS 99 1HG LYS 99 56.776 65.378 72.287 774 1HD LYS 99 2HD LYS 99 58.922 64.174 72.694 775 2HD LYS 99 1HD LYS 99 58.353 62.833 71.543 776 1HE LYS 99 2HE LYS 99 58.414 65.686 70.508 777 2HE LYS 99 1HE LYS 99 60.025 64.873 70.836 778 1HZ LYS 99 1HZ LYS 99 58.398 62.987 69.491 779 2HZ LYS 99 2HZ LYS 99 59.681 63.864 68.852 780 3HZ LYS 99 3HZ LYS 99 58.125 64.428 68.743 781 H GLY 100 H GLY 100 53.688 61.051 71.800 782 1HA GLY 100 1HA GLY 100 52.376 61.028 74.201 783 2HA GLY 100 2HA GLY 100 52.085 59.697 73.031 784 H GLU 101 H GLU 101 53.700 58.089 73.008 785 HA GLU 101 HA GLU 101 55.096 57.333 75.504 786 1HB GLU 101 2HB GLU 101 52.638 56.295 75.672 787 2HB GLU 101 1HB GLU 101 52.965 55.470 74.114 788 1HG GLU 101 2HG GLU 101 54.448 54.003 75.056 789 2HG GLU 101 1HG GLU 101 54.925 55.130 76.462 790 H LYS 102 H LYS 102 55.715 58.327 73.067 791 HA LYS 102 HA LYS 102 57.164 56.075 71.660 792 1HB LYS 102 2HB LYS 102 55.906 58.670 70.685 793 2HB LYS 102 1HB LYS 102 57.255 57.846 69.773 794 1HG LYS 102 2HG LYS 102 55.436 56.663 68.783 795 2HG LYS 102 1HG LYS 102 55.772 55.679 70.258 796 1HD LYS 102 2HD LYS 102 54.144 56.872 71.592 797 2HD LYS 102 1HD LYS 102 53.587 57.821 70.114 798 1HE LYS 102 2HE LYS 102 52.072 56.095 70.040 799 2HE LYS 102 1HE LYS 102 53.475 55.378 69.122 800 1HZ LYS 102 1HZ LYS 102 53.057 54.891 72.055 801 2HZ LYS 102 2HZ LYS 102 54.113 54.136 70.988 802 3HZ LYS 102 3HZ LYS 102 52.499 53.892 70.861 803 H GLU 103 H GLU 103 57.269 59.531 71.933 804 HA GLU 103 HA GLU 103 58.869 61.122 72.133 805 1HB GLU 103 2HB GLU 103 60.659 59.137 73.576 806 2HB GLU 103 1HB GLU 103 60.476 60.938 73.815 807 1HG GLU 103 2HG GLU 103 58.234 60.777 74.639 808 2HG GLU 103 1HG GLU 103 58.242 58.943 74.433 809 H ASN 104 H ASN 104 59.112 58.857 70.053 810 HA ASN 104 HA ASN 104 61.250 60.175 68.704 811 1HB ASN 104 2HB ASN 104 62.592 58.908 70.403 812 2HB ASN 104 1HB ASN 104 61.944 57.312 69.777 813 1HD2 ASN 104 2HD2 ASN 104 63.926 56.697 69.411 814 2HD2 ASN 104 1HD2 ASN 104 64.943 57.355 67.942 815 H ARG 105 H ARG 105 58.467 59.358 68.277 816 HA ARG 105 HA ARG 105 58.937 57.327 66.126 817 1HB ARG 105 2HB ARG 105 57.079 56.667 67.735 818 2HB ARG 105 1HB ARG 105 56.213 58.176 67.310 819 1HG ARG 105 2HG ARG 105 56.471 57.358 64.799 820 2HG ARG 105 1HG ARG 105 56.816 55.744 65.595 821 1HD ARG 105 2HD ARG 105 54.654 56.115 66.963 822 2HD ARG 105 1HD ARG 105 54.167 57.294 65.625 823 HE ARG 105 HE ARG 105 54.565 54.342 65.533 824 1HH1 ARG 105 2HH1 ARG 105 54.072 57.431 63.692 825 2HH1 ARG 105 1HH1 ARG 105 53.520 56.528 62.267 826 1HH2 ARG 105 2HH2 ARG 105 53.816 53.355 63.576 827 2HH2 ARG 105 1HH2 ARG 105 53.343 54.265 62.141 828 H GLY 106 H GLY 106 59.971 58.604 64.919 829 1HA GLY 106 1HA GLY 106 58.202 60.602 63.425 830 2HA GLY 106 2HA GLY 106 59.987 60.761 63.655 831 H TRP 107 H TRP 107 58.872 61.182 61.485 832 HA TRP 107 HA TRP 107 59.964 59.084 59.739 833 1HB TRP 107 2HB TRP 107 57.836 60.251 58.142 834 2HB TRP 107 1HB TRP 107 57.919 58.588 58.856 835 HD1 TRP 107 HD1 TRP 107 56.912 58.561 61.552 836 HE1 TRP 107 HE1 TRP 107 55.006 59.879 62.666 837 HE3 TRP 107 HE3 TRP 107 56.816 62.129 58.120 838 HZ2 TRP 107 HZ2 TRP 107 53.779 62.152 61.953 839 HZ3 TRP 107 HZ3 TRP 107 55.230 63.963 58.313 840 HH2 TRP 107 HH2 TRP 107 53.717 63.947 60.275 841 H LYS 108 H LYS 108 61.765 59.907 59.316 842 HA LYS 108 HA LYS 108 62.113 62.669 58.349 843 1HB LYS 108 2HB LYS 108 63.744 60.049 58.329 844 2HB LYS 108 1HB LYS 108 64.425 61.574 57.517 845 1HG LYS 108 2HG LYS 108 64.047 62.731 59.729 846 2HG LYS 108 1HG LYS 108 63.736 61.110 60.495 847 1HD LYS 108 2HD LYS 108 65.905 60.353 60.332 848 2HD LYS 108 1HD LYS 108 66.267 61.377 58.867 849 1HE LYS 108 2HE LYS 108 66.219 63.348 60.457 850 2HE LYS 108 1HE LYS 108 65.949 62.203 61.880 851 1HZ LYS 108 1HZ LYS 108 68.216 62.980 61.573 852 2HZ LYS 108 2HZ LYS 108 68.336 62.167 60.115 853 3HZ LYS 108 3HZ LYS 108 68.155 61.313 61.532 854 H GLN 109 H GLN 109 60.547 62.773 56.949 855 HA GLN 109 HA GLN 109 60.964 61.247 54.387 856 1HB GLN 109 2HB GLN 109 58.719 61.735 55.456 857 2HB GLN 109 1HB GLN 109 58.806 63.418 54.799 858 1HG GLN 109 2HG GLN 109 58.734 62.577 52.549 859 2HG GLN 109 1HG GLN 109 59.494 60.933 53.104 860 1HE2 GLN 109 2HE2 GLN 109 56.966 63.044 54.058 861 2HE2 GLN 109 1HE2 GLN 109 55.599 61.723 54.128 862 H TRP 110 H TRP 110 62.915 62.240 53.441 863 HA TRP 110 HA TRP 110 62.588 65.206 53.065 864 1HB TRP 110 2HB TRP 110 64.732 65.502 53.445 865 2HB TRP 110 1HB TRP 110 64.488 63.929 54.394 866 HD1 TRP 110 HD1 TRP 110 66.034 65.339 51.312 867 HE1 TRP 110 HE1 TRP 110 67.659 63.478 50.342 868 HE3 TRP 110 HE3 TRP 110 64.585 61.788 54.407 869 HZ2 TRP 110 HZ2 TRP 110 68.020 60.721 51.107 870 HZ3 TRP 110 HZ3 TRP 110 65.520 59.525 54.345 871 HH2 TRP 110 HH2 TRP 110 67.228 59.027 52.702 872 H VAL 111 H VAL 111 61.291 65.177 51.388 873 HA VAL 111 HA VAL 111 60.912 63.735 49.153 874 HB VAL 111 HB VAL 111 61.226 66.770 49.427 875 1HG1 VAL 111 1HG1 VAL 111 59.937 65.242 47.062 876 2HG1 VAL 111 2HG1 VAL 111 61.398 66.369 47.115 877 3HG1 VAL 111 3HG1 VAL 111 59.775 67.003 47.456 878 1HG2 VAL 111 1HG2 VAL 111 59.286 64.911 50.553 879 2HG2 VAL 111 2HG2 VAL 111 58.562 65.467 48.994 880 3HG2 VAL 111 3HG2 VAL 111 59.059 66.686 50.266 881 H GLU 112 H GLU 112 61.857 62.986 47.576 882 HA GLU 112 HA GLU 112 64.134 64.367 46.341 883 1HB GLU 112 2HB GLU 112 63.883 61.400 47.149 884 2HB GLU 112 1HB GLU 112 65.040 61.972 45.860 885 1HG GLU 112 2HG GLU 112 65.045 63.619 48.323 886 2HG GLU 112 1HG GLU 112 65.488 61.815 48.634 887 H GLY 113 H GLY 113 61.449 64.533 45.594 888 1HA GLY 113 1HA GLY 113 60.073 64.416 43.573 889 2HA GLY 113 2HA GLY 113 61.576 63.833 42.756 890 H ASP 114 H ASP 114 60.209 62.557 41.552 891 HA ASP 114 HA ASP 114 58.598 60.404 42.658 892 1HB ASP 114 2HB ASP 114 60.107 60.558 39.913 893 2HB ASP 114 1HB ASP 114 58.568 59.588 40.347 894 H LYS 115 H LYS 115 60.015 59.902 44.377 895 HA LYS 115 HA LYS 115 60.714 57.497 44.903 896 1HB LYS 115 2HB LYS 115 62.818 58.467 42.875 897 2HB LYS 115 1HB LYS 115 63.431 57.633 44.326 898 1HG LYS 115 2HG LYS 115 61.073 56.179 43.408 899 2HG LYS 115 1HG LYS 115 62.262 56.379 42.043 900 1HD LYS 115 2HD LYS 115 63.218 54.523 43.150 901 2HD LYS 115 1HD LYS 115 64.041 55.795 44.082 902 1HE LYS 115 2HE LYS 115 61.746 55.759 45.529 903 2HE LYS 115 1HE LYS 115 61.656 54.084 44.824 904 1HZ LYS 115 1HZ LYS 115 64.213 54.883 45.980 905 2HZ LYS 115 2HZ LYS 115 63.443 53.382 46.114 906 3HZ LYS 115 3HZ LYS 115 62.990 54.603 47.095 907 H LEU 116 H LEU 116 60.759 57.853 46.912 908 HA LEU 116 HA LEU 116 62.972 59.669 47.798 909 1HB LEU 116 2HB LEU 116 61.749 61.216 49.069 910 2HB LEU 116 1HB LEU 116 61.005 61.189 47.419 911 HG LEU 116 HG LEU 116 59.611 59.260 49.101 912 1HD1 LEU 116 1HD1 LEU 116 59.120 62.179 50.074 913 2HD1 LEU 116 2HD1 LEU 116 60.593 61.296 50.644 914 3HD1 LEU 116 3HD1 LEU 116 58.911 60.639 50.952 915 1HD2 LEU 116 1HD2 LEU 116 57.796 61.278 48.470 916 2HD2 LEU 116 2HD2 LEU 116 58.166 59.820 47.475 917 3HD2 LEU 116 3HD2 LEU 116 58.988 61.385 47.122 918 H TYR 117 H TYR 117 63.226 59.928 50.059 919 HA TYR 117 HA TYR 117 62.767 57.236 51.259 920 1HB TYR 117 2HB TYR 117 64.983 59.372 51.323 921 2HB TYR 117 1HB TYR 117 64.846 58.157 52.664 922 HD1 TYR 117 HD1 TYR 117 66.922 58.674 49.936 923 HD2 TYR 117 HD2 TYR 117 64.051 55.663 51.133 924 HE1 TYR 117 HE1 TYR 117 67.964 57.036 48.544 925 HE2 TYR 117 HE2 TYR 117 65.176 54.025 49.669 926 HH TYR 117 HH TYR 117 67.318 53.687 48.618 927 H LEU 118 H LEU 118 62.036 56.811 53.021 928 HA LEU 118 HA LEU 118 61.261 59.084 54.813 929 1HB LEU 118 2HB LEU 118 59.284 58.513 53.531 930 2HB LEU 118 1HB LEU 118 59.436 56.713 53.924 931 HG LEU 118 HG LEU 118 59.226 57.170 56.390 932 1HD1 LEU 118 1HD1 LEU 118 59.468 59.230 57.081 933 2HD1 LEU 118 2HD1 LEU 118 57.955 59.773 56.214 934 3HD1 LEU 118 3HD1 LEU 118 59.579 59.870 55.409 935 1HD2 LEU 118 1HD2 LEU 118 56.691 58.337 55.958 936 2HD2 LEU 118 2HD2 LEU 118 57.086 56.558 55.849 937 3HD2 LEU 118 3HD2 LEU 118 57.063 57.654 54.350 938 H GLU 119 H GLU 119 63.009 58.606 56.170 939 HA GLU 119 HA GLU 119 63.355 55.852 57.181 940 1HB GLU 119 2HB GLU 119 64.707 58.269 58.483 941 2HB GLU 119 1HB GLU 119 65.179 56.555 58.357 942 1HG GLU 119 2HG GLU 119 64.801 57.217 55.637 943 2HG GLU 119 1HG GLU 119 65.615 58.727 56.334 944 H LEU 120 H LEU 120 62.374 54.951 58.787 945 HA LEU 120 HA LEU 120 60.759 56.736 60.569 946 1HB LEU 120 2HB LEU 120 60.555 54.049 59.432 947 2HB LEU 120 1HB LEU 120 60.035 54.080 61.184 948 HG LEU 120 HG LEU 120 58.243 54.497 59.343 949 1HD1 LEU 120 1HD1 LEU 120 58.178 57.247 60.589 950 2HD1 LEU 120 2HD1 LEU 120 58.689 55.971 61.792 951 3HD1 LEU 120 3HD1 LEU 120 57.080 55.834 60.978 952 1HD2 LEU 120 1HD2 LEU 120 58.265 56.526 58.029 953 2HD2 LEU 120 2HD2 LEU 120 59.937 55.913 57.964 954 3HD2 LEU 120 3HD2 LEU 120 59.539 57.235 59.132 955 H THR 121 H THR 121 60.743 56.474 62.766 956 HA THR 121 HA THR 121 63.216 55.115 63.885 957 HB THR 121 HB THR 121 63.253 57.099 65.532 958 HG1 THR 121 1HG THR 121 62.049 58.778 65.082 959 1HG2 THR 121 1HG2 THR 121 63.760 57.896 62.554 960 2HG2 THR 121 2HG2 THR 121 64.829 56.711 63.380 961 3HG2 THR 121 3HG2 THR 121 64.785 58.428 63.947 962 H CYS 122 H CYS 122 60.145 54.567 63.543 963 HA CYS 122 HA CYS 122 58.731 54.700 65.941 964 1HB CYS 122 2HB CYS 122 59.266 52.495 63.838 965 2HB CYS 122 1HB CYS 122 57.999 52.320 65.023 966 HG CYS 122 HG CYS 122 58.091 53.817 62.215 967 H GLY 123 H GLY 123 59.598 54.497 67.756 968 1HA GLY 123 1HA GLY 123 60.147 53.214 69.733 969 2HA GLY 123 2HA GLY 123 60.358 51.832 68.615 970 H ASP 124 H ASP 124 62.043 51.624 70.251 971 HA ASP 124 HA ASP 124 64.517 53.141 70.314 972 1HB ASP 124 2HB ASP 124 65.460 50.614 70.612 973 2HB ASP 124 1HB ASP 124 64.487 51.373 71.990 974 H GLN 125 H GLN 125 63.339 50.612 68.103 975 HA GLN 125 HA GLN 125 65.995 50.631 66.745 976 1HB GLN 125 2HB GLN 125 63.307 49.487 65.835 977 2HB GLN 125 1HB GLN 125 64.966 48.977 65.288 978 1HG GLN 125 2HG GLN 125 65.304 48.428 67.934 979 2HG GLN 125 1HG GLN 125 63.481 48.408 67.875 980 1HE2 GLN 125 2HE2 GLN 125 64.406 46.193 68.504 981 2HE2 GLN 125 1HE2 GLN 125 64.431 44.965 67.065 982 H VAL 126 H VAL 126 65.687 50.755 64.290 983 HA VAL 126 HA VAL 126 64.277 53.279 63.586 984 HB VAL 126 HB VAL 126 67.154 52.269 63.006 985 1HG1 VAL 126 1HG1 VAL 126 65.336 54.125 61.496 986 2HG1 VAL 126 2HG1 VAL 126 66.796 53.299 60.848 987 3HG1 VAL 126 3HG1 VAL 126 66.935 54.865 61.788 988 1HG2 VAL 126 1HG2 VAL 126 67.003 55.046 63.694 989 2HG2 VAL 126 2HG2 VAL 126 67.757 53.730 64.617 990 3HG2 VAL 126 3HG2 VAL 126 66.003 54.130 64.925 991 H CYS 127 H CYS 127 62.616 52.377 62.248 992 HA CYS 127 HA CYS 127 63.597 50.402 60.162 993 1HB CYS 127 2HB CYS 127 61.514 49.489 60.318 994 2HB CYS 127 1HB CYS 127 61.258 50.542 61.747 995 HG CYS 127 HG CYS 127 60.590 51.267 58.509 996 H ARG 128 H ARG 128 62.995 50.541 58.025 997 HA ARG 128 HA ARG 128 63.133 53.513 57.201 998 1HB ARG 128 2HB ARG 128 65.088 52.658 56.555 999 2HB ARG 128 1HB ARG 128 64.412 50.966 56.239 1000 1HG ARG 128 2HG ARG 128 63.957 51.417 54.065 1001 2HG ARG 128 1HG ARG 128 63.351 53.086 54.344 1002 1HD ARG 128 2HD ARG 128 65.546 52.903 53.006 1003 2HD ARG 128 1HD ARG 128 65.528 54.007 54.444 1004 HE ARG 128 HE ARG 128 66.390 51.319 55.125 1005 1HH1 ARG 128 2HH1 ARG 128 67.575 54.559 53.872 1006 2HH1 ARG 128 1HH1 ARG 128 69.188 54.288 54.422 1007 1HH2 ARG 128 2HH2 ARG 128 68.587 51.105 55.805 1008 2HH2 ARG 128 1HH2 ARG 128 69.770 52.347 55.507 1009 H GLN 129 H GLN 129 61.354 54.319 56.495 1010 HA GLN 129 HA GLN 129 59.538 52.407 55.088 1011 1HB GLN 129 2HB GLN 129 58.825 54.247 56.740 1012 2HB GLN 129 1HB GLN 129 59.040 55.406 55.327 1013 1HG GLN 129 2HG GLN 129 56.956 54.989 54.796 1014 2HG GLN 129 1HG GLN 129 57.673 53.460 54.073 1015 1HE2 GLN 129 2HE2 GLN 129 58.340 52.252 56.599 1016 2HE2 GLN 129 1HE2 GLN 129 56.862 51.830 57.438 1017 H VAL 130 H VAL 130 58.877 52.631 52.782 1018 HA VAL 130 HA VAL 130 60.597 54.553 51.267 1019 HB VAL 130 HB VAL 130 59.999 52.113 49.628 1020 1HG1 VAL 130 1HG1 VAL 130 62.767 52.277 49.846 1021 2HG1 VAL 130 2HG1 VAL 130 62.323 53.938 50.426 1022 3HG1 VAL 130 3HG1 VAL 130 61.752 53.326 48.812 1023 1HG2 VAL 130 1HG2 VAL 130 61.596 51.712 52.155 1024 2HG2 VAL 130 2HG2 VAL 130 61.587 50.591 50.724 1025 3HG2 VAL 130 3HG2 VAL 130 60.074 50.780 51.691 1026 H PHE 131 H PHE 131 59.639 55.619 49.903 1027 HA PHE 131 HA PHE 131 56.718 55.179 49.255 1028 1HB PHE 131 2HB PHE 131 58.584 57.437 50.108 1029 2HB PHE 131 1HB PHE 131 57.259 57.857 48.934 1030 HD1 PHE 131 HD1 PHE 131 57.181 55.420 51.803 1031 HD2 PHE 131 HD2 PHE 131 55.855 59.109 50.197 1032 HE1 PHE 131 HE1 PHE 131 55.517 55.616 53.739 1033 HE2 PHE 131 HE2 PHE 131 54.277 59.333 52.015 1034 HZ PHE 131 HZ PHE 131 54.079 57.546 53.853 1035 H LYS 132 H LYS 132 56.084 56.814 47.428 1036 HA LYS 132 HA LYS 132 57.971 57.594 45.449 1037 1HB LYS 132 2HB LYS 132 58.338 55.069 45.085 1038 2HB LYS 132 1HB LYS 132 56.557 54.809 45.084 1039 1HG LYS 132 2HG LYS 132 56.478 56.204 42.914 1040 2HG LYS 132 1HG LYS 132 58.332 56.263 42.990 1041 1HD LYS 132 2HD LYS 132 57.831 54.405 41.607 1042 2HD LYS 132 1HD LYS 132 58.212 53.710 43.260 1043 1HE LYS 132 2HE LYS 132 56.254 52.737 43.418 1044 2HE LYS 132 1HE LYS 132 55.312 54.173 42.930 1045 1HZ LYS 132 1HZ LYS 132 56.790 52.667 40.847 1046 2HZ LYS 132 2HZ LYS 132 55.460 53.642 40.726 1047 3HZ LYS 132 3HZ LYS 132 55.299 52.114 41.346 1048 H LYS 133 H LYS 133 57.110 58.365 43.756 1049 HA LYS 133 HA LYS 133 55.217 58.553 42.128 1050 1HB LYS 133 2HB LYS 133 53.543 57.419 43.950 1051 2HB LYS 133 1HB LYS 133 53.245 59.240 44.213 1052 1HG LYS 133 2HG LYS 133 53.444 58.956 41.443 1053 2HG LYS 133 1HG LYS 133 52.656 57.389 42.010 1054 1HD LYS 133 2HD LYS 133 51.549 59.933 43.146 1055 2HD LYS 133 1HD LYS 133 51.283 59.658 41.359 1056 1HE LYS 133 2HE LYS 133 50.676 57.624 43.531 1057 2HE LYS 133 1HE LYS 133 49.463 58.718 42.674 1058 1HZ LYS 133 1HZ LYS 133 49.454 57.486 40.903 1059 2HZ LYS 133 2HZ LYS 133 50.172 56.226 41.734 1060 3HZ LYS 133 3HZ LYS 133 51.068 57.327 40.791 1061 H LYS 134 H LYS 134 53.313 60.715 42.912 1062 HA LYS 134 HA LYS 134 55.529 62.726 42.528 1063 1HB LYS 134 2HB LYS 134 52.551 63.387 42.131 1064 2HB LYS 134 1HB LYS 134 53.954 64.004 41.235 1065 1HG LYS 134 2HG LYS 134 52.569 61.256 41.177 1066 2HG LYS 134 1HG LYS 134 52.737 62.481 39.791 1067 1HD LYS 134 2HD LYS 134 55.262 61.284 40.988 1068 2HD LYS 134 1HD LYS 134 54.268 60.277 39.870 1069 1HE LYS 134 2HE LYS 134 56.135 61.747 38.931 1070 2HE LYS 134 1HE LYS 134 54.523 61.786 38.071 1071 1HZ LYS 134 1HZ LYS 134 55.475 63.793 40.047 1072 2HZ LYS 134 2HZ LYS 134 54.016 63.893 39.225 1073 3HZ LYS 134 3HZ LYS 134 55.440 64.033 38.394 1074 1H2 RTL 135 1H2 RET 135 48.847 49.865 57.603 1075 2H2 RTL 135 2H2 RET 135 47.295 50.172 58.202 1076 1H3 RTL 135 1H3 RET 135 47.772 48.572 59.760 1077 2H3 RTL 135 2H3 RET 135 49.424 48.671 59.472 1078 1H4 RTL 135 1H4 RET 135 49.094 49.415 61.808 1079 2H4 RTL 135 2H4 RET 135 47.873 50.502 61.365 1080 H7 RTL 135 H7 RET 135 51.818 52.470 59.305 1081 H8 RTL 135 H8 RET 135 49.465 54.505 59.499 1082 H10 RTL 135 H10 RET 135 50.466 55.902 57.296 1083 H11 RTL 135 H11 RET 135 53.212 56.776 57.673 1084 H12 RTL 135 H12 RET 135 50.890 58.837 57.803 1085 H14 RTL 135 H14 RET 135 51.994 60.104 55.676 1086 1H15 RTL 135 1H15 RET 135 53.433 61.805 55.098 1087 2H15 RTL 135 2H15 RET 135 54.775 61.035 56.044 1088 HO1 RTL 135 H51 RET 135 53.550 63.216 56.558 1089 1H16 RTL 135 1H16 RET 135 48.170 52.197 56.739 1090 2H16 RTL 135 2H16 RET 135 49.876 51.924 56.936 1091 3H16 RTL 135 3H16 RET 135 49.165 53.464 57.499 1092 1H17 RTL 135 1H17 RET 135 46.602 52.000 58.861 1093 2H17 RTL 135 2H17 RET 135 47.478 53.462 58.361 1094 3H17 RTL 135 3H17 RET 135 47.521 52.906 60.037 1095 1H18 RTL 135 1H18 RET 135 51.145 50.143 62.244 1096 2H18 RTL 135 2H18 RET 135 50.540 51.765 62.679 1097 3H18 RTL 135 3H18 RET 135 51.794 51.583 61.435 1098 1H19 RTL 135 1H19 RET 135 53.205 56.164 59.837 1099 2H19 RTL 135 2H19 RET 135 53.012 54.468 60.278 1100 3H19 RTL 135 3H19 RET 135 52.052 55.753 61.075 1101 1H20 RTL 135 1H20 RET 135 53.646 59.098 59.465 1102 2H20 RTL 135 2H20 RET 135 54.104 60.647 58.751 1103 3H20 RTL 135 3H20 RET 135 54.884 59.165 58.184 Start of MODEL 13 1 1H MET 1 1H MET 1 62.496 77.272 43.549 2 2H MET 1 2H MET 1 62.353 78.734 44.373 3 3H MET 1 3H MET 1 61.340 78.360 43.081 4 HA MET 1 HA MET 1 60.348 78.148 45.479 5 1HB MET 1 2HB MET 1 60.218 75.977 43.264 6 2HB MET 1 1HB MET 1 59.118 76.119 44.719 7 1HG MET 1 2HG MET 1 58.773 78.651 43.897 8 2HG MET 1 1HG MET 1 59.178 78.059 42.328 9 1HE MET 1 1HE MET 1 58.140 76.012 41.217 10 2HE MET 1 2HE MET 1 57.083 77.431 40.831 11 3HE MET 1 3HE MET 1 56.313 75.940 41.131 12 H THR 2 H THR 2 61.503 77.703 47.142 13 HA THR 2 HA THR 2 63.187 75.259 47.428 14 HB THR 2 HB THR 2 62.096 76.655 49.858 15 HG1 THR 2 1HG THR 2 63.949 78.221 48.722 16 1HG2 THR 2 1HG2 THR 2 64.843 75.884 48.537 17 2HG2 THR 2 2HG2 THR 2 64.138 75.044 49.962 18 3HG2 THR 2 3HG2 THR 2 64.880 76.671 50.106 19 H LYS 3 H LYS 3 62.576 73.419 47.869 20 HA LYS 3 HA LYS 3 61.230 71.582 48.455 21 1HB LYS 3 2HB LYS 3 60.608 71.496 50.583 22 2HB LYS 3 1HB LYS 3 61.667 72.968 50.691 23 1HG LYS 3 2HG LYS 3 58.992 73.914 50.009 24 2HG LYS 3 1HG LYS 3 58.837 72.702 51.328 25 1HD LYS 3 2HD LYS 3 60.720 73.912 52.573 26 2HD LYS 3 1HD LYS 3 60.737 75.125 51.242 27 1HE LYS 3 2HE LYS 3 58.652 75.999 51.892 28 2HE LYS 3 1HE LYS 3 58.184 74.402 52.682 29 1HZ LYS 3 1HZ LYS 3 60.386 75.246 54.051 30 2HZ LYS 3 2HZ LYS 3 58.851 75.555 54.623 31 3HZ LYS 3 3HZ LYS 3 59.738 76.698 53.771 32 H ASP 4 H ASP 4 59.066 70.692 48.926 33 HA ASP 4 HA ASP 4 56.637 72.055 48.178 34 1HB ASP 4 2HB ASP 4 56.512 70.552 45.887 35 2HB ASP 4 1HB ASP 4 57.135 72.271 45.977 36 H GLN 5 H GLN 5 56.486 70.731 50.183 37 HA GLN 5 HA GLN 5 56.761 67.807 50.187 38 1HB GLN 5 2HB GLN 5 55.769 70.081 51.911 39 2HB GLN 5 1HB GLN 5 54.659 68.638 51.994 40 1HG GLN 5 2HG GLN 5 57.569 68.102 52.095 41 2HG GLN 5 1HG GLN 5 56.753 68.881 53.585 42 1HE2 GLN 5 1HE2 GLN 5 57.408 66.013 51.933 43 2HE2 GLN 5 2HE2 GLN 5 56.229 64.977 52.721 44 H ASN 6 H ASN 6 54.070 69.993 49.856 45 HA ASN 6 HA ASN 6 51.851 68.443 49.301 46 1HB ASN 6 2HB ASN 6 51.557 70.050 47.058 47 2HB ASN 6 1HB ASN 6 51.371 70.743 48.750 48 1HD2 ASN 6 2HD2 ASN 6 52.291 72.491 49.105 49 2HD2 ASN 6 1HD2 ASN 6 53.982 72.972 48.397 50 H GLY 7 H GLY 7 51.875 66.445 48.517 51 1HA GLY 7 1HA GLY 7 52.319 66.239 45.540 52 2HA GLY 7 2HA GLY 7 53.387 65.362 46.660 53 H THR 8 H THR 8 52.876 63.481 46.720 54 HA THR 8 HA THR 8 50.693 62.215 47.727 55 HB THR 8 HB THR 8 50.806 62.132 44.613 56 HG1 THR 8 1HG THR 8 49.527 63.741 45.133 57 1HG2 THR 8 1HG2 THR 8 48.532 60.668 45.275 58 2HG2 THR 8 2HG2 THR 8 49.486 60.307 46.787 59 3HG2 THR 8 3HG2 THR 8 50.109 59.839 45.156 60 H TRP 9 H TRP 9 51.154 59.943 47.737 61 HA TRP 9 HA TRP 9 53.463 58.859 46.286 62 1HB TRP 9 2HB TRP 9 54.670 58.731 48.813 63 2HB TRP 9 1HB TRP 9 55.169 59.815 47.454 64 HD1 TRP 9 HD1 TRP 9 52.080 60.118 49.747 65 HE1 TRP 9 HE1 TRP 9 52.029 62.455 50.914 66 HE3 TRP 9 HE3 TRP 9 56.369 61.688 48.006 67 HZ2 TRP 9 HZ2 TRP 9 53.709 64.538 50.900 68 HZ3 TRP 9 HZ3 TRP 9 57.248 63.965 48.593 69 HH2 TRP 9 HH2 TRP 9 55.978 65.370 49.992 70 H GLU 10 H GLU 10 52.446 57.002 45.915 71 HA GLU 10 HA GLU 10 50.951 55.505 47.854 72 1HB GLU 10 2HB GLU 10 52.353 54.815 45.174 73 2HB GLU 10 1HB GLU 10 51.419 53.575 46.199 74 1HG GLU 10 2HG GLU 10 49.736 54.343 44.919 75 2HG GLU 10 1HG GLU 10 49.735 55.657 46.221 76 H MET 11 H MET 11 51.733 54.507 49.556 77 HA MET 11 HA MET 11 54.573 54.192 50.194 78 1HB MET 11 2HB MET 11 51.956 52.738 51.051 79 2HB MET 11 1HB MET 11 53.594 52.150 51.587 80 1HG MET 11 2HG MET 11 54.058 54.411 52.669 81 2HG MET 11 1HG MET 11 52.565 55.041 51.982 82 1HE MET 11 1HE MET 11 52.003 51.278 52.901 83 2HE MET 11 2HE MET 11 52.325 51.168 54.716 84 3HE MET 11 3HE MET 11 53.609 51.489 53.591 85 H GLU 12 H GLU 12 55.961 52.522 49.869 86 HA GLU 12 HA GLU 12 55.075 50.457 47.852 87 1HB GLU 12 2HB GLU 12 57.523 52.262 47.903 88 2HB GLU 12 1HB GLU 12 57.843 50.501 47.639 89 1HG GLU 12 2HG GLU 12 55.481 51.819 46.170 90 2HG GLU 12 1HG GLU 12 57.310 52.007 45.643 91 H SER 13 H SER 13 57.734 51.205 50.109 92 HA SER 13 HA SER 13 57.274 48.534 51.405 93 1HB SER 13 2HB SER 13 60.155 48.985 51.270 94 2HB SER 13 1HB SER 13 59.209 47.627 50.459 95 HG SER 13 HG SER 13 58.864 49.867 49.104 96 H ASN 14 H ASN 14 59.008 48.160 52.931 97 HA ASN 14 HA ASN 14 60.088 50.333 54.574 98 1HB ASN 14 2HB ASN 14 58.544 48.369 56.307 99 2HB ASN 14 1HB ASN 14 58.553 50.204 56.315 100 1HD2 ASN 14 1HD2 ASN 14 57.601 47.452 54.345 101 2HD2 ASN 14 2HD2 ASN 14 55.938 48.140 53.847 102 H GLU 15 H GLU 15 61.338 49.867 56.082 103 HA GLU 15 HA GLU 15 62.677 47.350 55.274 104 1HB GLU 15 2HB GLU 15 63.410 49.334 57.561 105 2HB GLU 15 1HB GLU 15 64.511 48.054 56.980 106 1HG GLU 15 2HG GLU 15 63.297 49.909 54.919 107 2HG GLU 15 1HG GLU 15 64.878 50.345 55.902 108 H ASN 16 H ASN 16 61.882 48.684 58.566 109 HA ASN 16 HA ASN 16 61.460 45.908 59.500 110 1HB ASN 16 2HB ASN 16 62.027 48.590 60.877 111 2HB ASN 16 1HB ASN 16 61.283 47.132 61.791 112 1HD2 ASN 16 2HD2 ASN 16 64.020 48.670 61.112 113 2HD2 ASN 16 1HD2 ASN 16 65.185 47.154 61.186 114 H PHE 17 H PHE 17 59.623 45.285 59.166 115 HA PHE 17 HA PHE 17 57.228 47.066 59.077 116 1HB PHE 17 2HB PHE 17 57.068 43.993 59.250 117 2HB PHE 17 1HB PHE 17 55.996 45.197 58.335 118 HD1 PHE 17 HD1 PHE 17 56.630 45.814 56.066 119 HD2 PHE 17 HD2 PHE 17 59.203 43.439 58.386 120 HE1 PHE 17 HE1 PHE 17 58.016 45.349 54.068 121 HE2 PHE 17 HE2 PHE 17 60.628 42.941 56.398 122 HZ PHE 17 HZ PHE 17 60.093 43.851 54.224 123 H GLU 18 H GLU 18 58.961 45.024 61.079 124 HA GLU 18 HA GLU 18 57.076 44.411 63.231 125 1HB GLU 18 2HB GLU 18 59.773 43.900 62.531 126 2HB GLU 18 1HB GLU 18 59.956 45.252 63.761 127 1HG GLU 18 2HG GLU 18 59.075 44.021 65.518 128 2HG GLU 18 1HG GLU 18 58.263 42.723 64.387 129 H GLY 19 H GLY 19 59.101 47.241 62.657 130 1HA GLY 19 1HA GLY 19 58.638 48.228 65.458 131 2HA GLY 19 2HA GLY 19 59.322 49.194 64.088 132 H TYR 20 H TYR 20 57.136 48.747 62.278 133 HA TYR 20 HA TYR 20 55.310 50.889 63.081 134 1HB TYR 20 2HB TYR 20 55.550 48.701 60.962 135 2HB TYR 20 1HB TYR 20 53.939 49.461 61.204 136 HD1 TYR 20 HD1 TYR 20 57.387 50.928 61.360 137 HD2 TYR 20 HD2 TYR 20 53.575 50.715 59.490 138 HE1 TYR 20 HE1 TYR 20 58.049 52.872 59.864 139 HE2 TYR 20 HE2 TYR 20 54.127 52.586 58.005 140 HH TYR 20 HH TYR 20 56.018 54.701 58.374 141 H MET 21 H MET 21 55.376 47.350 63.570 142 HA MET 21 HA MET 21 52.552 47.399 64.351 143 1HB MET 21 2HB MET 21 53.862 45.427 63.185 144 2HB MET 21 1HB MET 21 54.925 45.405 64.619 145 1HG MET 21 2HG MET 21 51.908 45.198 65.089 146 2HG MET 21 1HG MET 21 52.653 43.783 64.361 147 1HE MET 21 1HE MET 21 54.066 41.848 65.952 148 2HE MET 21 2HE MET 21 52.251 42.190 65.957 149 3HE MET 21 3HE MET 21 53.005 41.901 67.444 150 H LYS 22 H LYS 22 55.609 47.715 65.759 151 HA LYS 22 HA LYS 22 54.536 47.309 68.469 152 1HB LYS 22 2HB LYS 22 57.145 47.132 67.342 153 2HB LYS 22 1HB LYS 22 57.176 48.754 68.214 154 1HG LYS 22 2HG LYS 22 56.237 47.683 70.220 155 2HG LYS 22 1HG LYS 22 56.215 46.064 69.368 156 1HD LYS 22 2HD LYS 22 58.371 45.689 70.019 157 2HD LYS 22 1HD LYS 22 58.876 47.167 69.029 158 1HE LYS 22 2HE LYS 22 59.160 48.444 71.005 159 2HE LYS 22 1HE LYS 22 57.675 47.738 71.725 160 1HZ LYS 22 1HZ LYS 22 59.656 46.994 72.841 161 2HZ LYS 22 2HZ LYS 22 60.317 46.362 71.393 162 3HZ LYS 22 3HZ LYS 22 58.979 45.681 72.080 163 H ALA 23 H ALA 23 54.821 49.997 66.392 164 HA ALA 23 HA ALA 23 54.897 51.935 68.548 165 1HB ALA 23 1HB ALA 23 55.382 53.050 66.618 166 2HB ALA 23 2HB ALA 23 53.620 53.402 66.709 167 3HB ALA 23 3HB ALA 23 54.212 52.083 65.563 168 H LEU 24 H LEU 24 52.687 49.872 67.294 169 HA LEU 24 HA LEU 24 50.640 50.442 69.282 170 1HB LEU 24 2HB LEU 24 48.873 50.701 67.249 171 2HB LEU 24 1HB LEU 24 49.938 52.125 67.640 172 HG LEU 24 HG LEU 24 51.187 50.264 65.686 173 1HD1 LEU 24 1HD1 LEU 24 49.308 49.863 64.493 174 2HD1 LEU 24 2HD1 LEU 24 49.587 51.512 63.867 175 3HD1 LEU 24 3HD1 LEU 24 48.406 51.298 65.204 176 1HD2 LEU 24 1HD2 LEU 24 51.346 52.982 66.547 177 2HD2 LEU 24 2HD2 LEU 24 50.726 53.055 64.830 178 3HD2 LEU 24 3HD2 LEU 24 52.306 52.261 65.201 179 H ASP 25 H ASP 25 51.063 48.546 69.738 180 HA ASP 25 HA ASP 25 51.241 46.094 68.216 181 1HB ASP 25 2HB ASP 25 52.004 46.201 70.574 182 2HB ASP 25 1HB ASP 25 50.298 46.662 71.070 183 H ILE 26 H ILE 26 49.693 46.499 66.749 184 HA ILE 26 HA ILE 26 46.828 46.449 67.448 185 HB ILE 26 HB ILE 26 48.440 46.640 64.895 186 1HG1 ILE 26 2HG1 ILE 26 45.874 47.879 65.990 187 2HG1 ILE 26 1HG1 ILE 26 47.592 48.503 66.120 188 1HG2 ILE 26 1HG2 ILE 26 45.464 45.830 65.074 189 2HG2 ILE 26 2HG2 ILE 26 46.761 44.678 64.464 190 3HG2 ILE 26 3HG2 ILE 26 46.322 46.180 63.538 191 1HD1 ILE 26 1HD1 ILE 26 45.911 48.080 63.495 192 2HD1 ILE 26 2HD1 ILE 26 47.719 48.382 63.527 193 3HD1 ILE 26 3HD1 ILE 26 46.585 49.631 64.104 194 H ASP 27 H ASP 27 49.116 44.435 65.715 195 HA ASP 27 HA ASP 27 48.812 42.065 67.008 196 1HB ASP 27 2HB ASP 27 46.465 42.589 65.313 197 2HB ASP 27 1HB ASP 27 47.382 41.078 64.728 198 H PHE 28 H PHE 28 49.022 40.097 64.937 199 HA PHE 28 HA PHE 28 51.569 40.979 63.742 200 1HB PHE 28 2HB PHE 28 49.966 38.377 63.049 201 2HB PHE 28 1HB PHE 28 51.768 38.651 63.099 202 HD1 PHE 28 HD1 PHE 28 48.644 37.934 65.009 203 HD2 PHE 28 HD2 PHE 28 52.895 38.544 65.173 204 HE1 PHE 28 HE1 PHE 28 48.683 36.930 67.308 205 HE2 PHE 28 HE2 PHE 28 52.930 37.559 67.505 206 HZ PHE 28 HZ PHE 28 50.848 36.754 68.528 207 H ALA 29 H ALA 29 48.269 40.707 62.990 208 HA ALA 29 HA ALA 29 48.164 40.369 60.158 209 1HB ALA 29 1HB ALA 29 46.300 40.395 62.031 210 2HB ALA 29 2HB ALA 29 45.900 41.034 60.420 211 3HB ALA 29 3HB ALA 29 46.268 42.195 61.806 212 H THR 30 H THR 30 48.731 43.156 62.217 213 HA THR 30 HA THR 30 48.353 45.229 60.427 214 HB THR 30 HB THR 30 49.992 44.941 62.951 215 HG1 THR 30 1HG THR 30 47.687 45.583 62.345 216 1HG2 THR 30 1HG2 THR 30 50.273 47.547 62.676 217 2HG2 THR 30 2HG2 THR 30 50.008 47.300 60.886 218 3HG2 THR 30 3HG2 THR 30 51.465 46.548 61.725 219 H ARG 31 H ARG 31 51.330 43.634 61.266 220 HA ARG 31 HA ARG 31 52.912 45.117 59.308 221 1HB ARG 31 2HB ARG 31 54.590 44.527 60.728 222 2HB ARG 31 1HB ARG 31 53.411 43.520 61.646 223 1HG ARG 31 2HG ARG 31 54.719 42.290 59.110 224 2HG ARG 31 1HG ARG 31 55.630 42.479 60.675 225 1HD ARG 31 2HD ARG 31 53.472 41.466 61.754 226 2HD ARG 31 1HD ARG 31 53.005 40.893 60.065 227 HE ARG 31 HE ARG 31 55.116 39.877 61.775 228 1HH1 ARG 31 2HH2 ARG 31 54.027 40.481 58.458 229 2HH1 ARG 31 1HH2 ARG 31 54.993 39.178 57.711 230 1HH2 ARG 31 2HH1 ARG 31 56.324 38.263 60.946 231 2HH2 ARG 31 1HH1 ARG 31 56.392 37.816 59.196 232 H LYS 32 H LYS 32 51.398 41.799 59.301 233 HA LYS 32 HA LYS 32 52.853 41.012 56.943 234 1HB LYS 32 2HB LYS 32 52.050 39.196 57.902 235 2HB LYS 32 1HB LYS 32 50.659 40.120 58.647 236 1HG LYS 32 2HG LYS 32 49.337 39.903 56.594 237 2HG LYS 32 1HG LYS 32 50.748 39.287 55.666 238 1HD LYS 32 2HD LYS 32 49.693 37.177 56.273 239 2HD LYS 32 1HD LYS 32 50.970 37.441 57.465 240 1HE LYS 32 2HE LYS 32 49.321 38.564 59.098 241 2HE LYS 32 1HE LYS 32 48.012 38.149 57.914 242 1HZ LYS 32 1HZ LYS 32 48.405 35.847 58.246 243 2HZ LYS 32 2HZ LYS 32 48.537 36.503 59.783 244 3HZ LYS 32 3HZ LYS 32 49.903 36.144 58.844 245 H ILE 33 H ILE 33 50.066 42.782 57.782 246 HA ILE 33 HA ILE 33 48.804 42.686 55.092 247 HB ILE 33 HB ILE 33 48.416 44.351 57.621 248 1HG1 ILE 33 2HG1 ILE 33 46.414 43.101 57.902 249 2HG1 ILE 33 1HG1 ILE 33 46.085 43.290 56.103 250 1HG2 ILE 33 1HG2 ILE 33 46.428 45.455 56.396 251 2HG2 ILE 33 2HG2 ILE 33 47.229 45.014 54.865 252 3HG2 ILE 33 3HG2 ILE 33 48.094 46.106 56.031 253 1HD1 ILE 33 1HD1 ILE 33 48.263 41.353 57.190 254 2HD1 ILE 33 2HD1 ILE 33 47.411 41.373 55.578 255 3HD1 ILE 33 3HD1 ILE 33 46.533 40.865 57.076 256 H ALA 34 H ALA 34 50.552 45.056 57.156 257 HA ALA 34 HA ALA 34 50.703 47.177 55.127 258 1HB ALA 34 1HB ALA 34 50.785 47.521 57.648 259 2HB ALA 34 2HB ALA 34 52.237 48.204 56.764 260 3HB ALA 34 3HB ALA 34 52.331 46.650 57.693 261 H VAL 35 H VAL 35 52.569 44.392 55.994 262 HA VAL 35 HA VAL 35 55.131 44.981 55.111 263 HB VAL 35 HB VAL 35 53.530 42.497 55.328 264 1HG1 VAL 35 1HG1 VAL 35 55.901 42.761 53.346 265 2HG1 VAL 35 2HG1 VAL 35 54.315 41.859 53.182 266 3HG1 VAL 35 3HG1 VAL 35 55.638 41.269 54.270 267 1HG2 VAL 35 1HG2 VAL 35 55.053 42.030 56.936 268 2HG2 VAL 35 2HG2 VAL 35 55.623 43.744 56.669 269 3HG2 VAL 35 3HG2 VAL 35 56.454 42.351 55.776 270 H ARG 36 H ARG 36 52.315 43.919 53.271 271 HA ARG 36 HA ARG 36 53.846 44.314 50.691 272 1HB ARG 36 2HB ARG 36 52.309 42.747 49.673 273 2HB ARG 36 1HB ARG 36 52.772 42.038 51.278 274 1HG ARG 36 2HG ARG 36 50.357 43.646 51.701 275 2HG ARG 36 1HG ARG 36 50.122 42.522 50.301 276 1HD ARG 36 2HD ARG 36 51.568 41.517 52.751 277 2HD ARG 36 1HD ARG 36 49.814 41.796 52.982 278 HE ARG 36 HE ARG 36 51.014 39.747 51.174 279 1HH1 ARG 36 2HH2 ARG 36 48.018 41.733 51.897 280 2HH1 ARG 36 1HH2 ARG 36 47.056 40.545 51.018 281 1HH2 ARG 36 1HH1 ARG 36 49.733 38.392 50.142 282 2HH2 ARG 36 2HH1 ARG 36 48.016 38.650 50.011 283 H LEU 37 H LEU 37 51.142 45.410 52.597 284 HA LEU 37 HA LEU 37 49.679 46.425 50.369 285 1HB LEU 37 2HB LEU 37 49.854 46.987 53.380 286 2HB LEU 37 1HB LEU 37 49.428 48.454 52.414 287 HG LEU 37 HG LEU 37 47.582 46.904 53.258 288 1HD1 LEU 37 1HD1 LEU 37 47.786 47.904 50.334 289 2HD1 LEU 37 2HD1 LEU 37 47.124 48.772 51.777 290 3HD1 LEU 37 3HD1 LEU 37 46.227 47.307 51.080 291 1HD2 LEU 37 1HD2 LEU 37 47.865 45.361 50.582 292 2HD2 LEU 37 2HD2 LEU 37 47.130 44.874 52.192 293 3HD2 LEU 37 3HD2 LEU 37 48.929 44.937 51.972 294 H THR 38 H THR 38 49.834 47.822 49.069 295 HA THR 38 HA THR 38 52.088 49.775 49.131 296 HB THR 38 HB THR 38 50.609 49.136 46.562 297 HG1 THR 38 1HG THR 38 50.911 47.160 46.583 298 1HG2 THR 38 1HG2 THR 38 53.517 49.067 47.630 299 2HG2 THR 38 2HG2 THR 38 52.916 50.323 46.478 300 3HG2 THR 38 3HG2 THR 38 53.157 48.593 45.945 301 H GLN 39 H GLN 39 49.666 50.233 50.573 302 HA GLN 39 HA GLN 39 47.747 51.609 49.169 303 1HB GLN 39 2HB GLN 39 47.273 52.642 51.491 304 2HB GLN 39 1HB GLN 39 47.711 50.880 51.580 305 1HG GLN 39 2HG GLN 39 49.549 51.286 52.799 306 2HG GLN 39 1HG GLN 39 50.135 52.501 51.558 307 1HE2 GLN 39 2HE2 GLN 39 49.028 54.576 51.514 308 2HE2 GLN 39 1HE2 GLN 39 48.699 55.383 53.043 309 H THR 40 H THR 40 47.104 53.708 49.494 310 HA THR 40 HA THR 40 49.099 55.670 48.438 311 HB THR 40 HB THR 40 46.068 55.883 48.566 312 HG1 THR 40 1HG THR 40 46.565 55.312 46.200 313 1HG2 THR 40 1HG2 THR 40 48.138 57.090 46.595 314 2HG2 THR 40 2HG2 THR 40 47.481 57.974 48.049 315 3HG2 THR 40 3HG2 THR 40 46.373 57.510 46.708 316 H LYS 41 H LYS 41 49.370 57.576 49.034 317 HA LYS 41 HA LYS 41 47.996 58.475 51.615 318 1HB LYS 41 2HB LYS 41 49.869 57.164 52.556 319 2HB LYS 41 1HB LYS 41 50.961 57.798 51.217 320 1HG LYS 41 2HG LYS 41 49.699 59.826 53.111 321 2HG LYS 41 1HG LYS 41 50.956 58.657 53.767 322 1HD LYS 41 2HD LYS 41 52.323 59.442 51.581 323 2HD LYS 41 1HD LYS 41 51.159 60.852 51.646 324 1HE LYS 41 2HE LYS 41 52.919 61.648 52.780 325 2HE LYS 41 1HE LYS 41 51.900 61.011 54.158 326 1HZ LYS 41 1HZ LYS 41 53.436 58.911 53.736 327 2HZ LYS 41 2HZ LYS 41 54.128 60.269 54.443 328 3HZ LYS 41 3HZ LYS 41 54.410 59.946 52.863 329 H ILE 42 H ILE 42 48.449 60.854 51.996 330 HA ILE 42 HA ILE 42 50.362 62.059 50.114 331 HB ILE 42 HB ILE 42 48.959 61.607 48.265 332 1HG1 ILE 42 2HG1 ILE 42 49.626 64.017 48.459 333 2HG1 ILE 42 1HG1 ILE 42 48.166 63.602 47.402 334 1HG2 ILE 42 1HG2 ILE 42 46.390 62.352 48.482 335 2HG2 ILE 42 2HG2 ILE 42 46.711 61.974 50.223 336 3HG2 ILE 42 3HG2 ILE 42 46.999 60.763 48.886 337 1HD1 ILE 42 1HD1 ILE 42 47.047 65.292 48.486 338 2HD1 ILE 42 2HD1 ILE 42 48.243 65.346 49.848 339 3HD1 ILE 42 3HD1 ILE 42 46.941 64.084 49.800 340 H ILE 43 H ILE 43 50.862 63.969 50.472 341 HA ILE 43 HA ILE 43 49.490 65.496 52.683 342 HB ILE 43 HB ILE 43 52.191 65.815 51.407 343 1HG1 ILE 43 2HG1 ILE 43 51.581 64.389 54.083 344 2HG1 ILE 43 1HG1 ILE 43 51.715 63.430 52.533 345 1HG2 ILE 43 1HG2 ILE 43 50.859 66.591 54.058 346 2HG2 ILE 43 2HG2 ILE 43 51.556 67.768 52.847 347 3HG2 ILE 43 3HG2 ILE 43 52.670 66.732 53.866 348 1HD1 ILE 43 1HD1 ILE 43 53.863 65.306 52.701 349 2HD1 ILE 43 2HD1 ILE 43 54.014 63.479 52.874 350 3HD1 ILE 43 3HD1 ILE 43 53.811 64.490 54.340 351 H VAL 44 H VAL 44 49.509 67.771 52.539 352 HA VAL 44 HA VAL 44 50.161 69.141 49.949 353 HB VAL 44 HB VAL 44 47.963 67.840 49.808 354 1HG1 VAL 44 1HG1 VAL 44 46.889 70.239 51.493 355 2HG1 VAL 44 2HG1 VAL 44 47.095 68.486 51.959 356 3HG1 VAL 44 3HG1 VAL 44 45.950 68.915 50.645 357 1HG2 VAL 44 1HG2 VAL 44 48.527 70.713 48.906 358 2HG2 VAL 44 2HG2 VAL 44 46.788 70.190 48.947 359 3HG2 VAL 44 3HG2 VAL 44 48.010 69.269 47.945 360 H GLN 45 H GLN 45 50.159 71.446 50.215 361 HA GLN 45 HA GLN 45 48.897 72.662 52.546 362 1HB GLN 45 2HB GLN 45 51.439 73.265 53.370 363 2HB GLN 45 1HB GLN 45 50.712 71.699 53.937 364 1HG GLN 45 2HG GLN 45 52.075 70.494 52.459 365 2HG GLN 45 1HG GLN 45 52.080 71.888 51.223 366 1HE2 GLN 45 1HE2 GLN 45 53.586 70.198 53.673 367 2HE2 GLN 45 2HE2 GLN 45 55.018 71.433 53.944 368 H ASP 46 H ASP 46 49.889 74.528 53.324 369 HA ASP 46 HA ASP 46 50.773 76.206 51.006 370 1HB ASP 46 2HB ASP 46 48.138 76.054 51.770 371 2HB ASP 46 1HB ASP 46 48.705 77.371 52.916 372 H GLY 47 H GLY 47 51.740 75.131 53.667 373 1HA GLY 47 1HA GLY 47 53.576 75.952 54.974 374 2HA GLY 47 2HA GLY 47 53.117 77.692 54.583 375 H ASP 48 H ASP 48 53.206 75.201 56.745 376 HA ASP 48 HA ASP 48 52.655 75.041 59.036 377 1HB ASP 48 2HB ASP 48 51.527 77.898 58.764 378 2HB ASP 48 1HB ASP 48 52.221 77.055 60.293 379 H ASN 49 H ASN 49 50.960 73.830 57.396 380 HA ASN 49 HA ASN 49 48.662 73.396 58.958 381 1HB ASN 49 2HB ASN 49 46.908 74.670 57.244 382 2HB ASN 49 1HB ASN 49 47.752 75.585 58.615 383 1HD2 ASN 49 1HD2 ASN 49 48.035 77.446 57.803 384 2HD2 ASN 49 2HD2 ASN 49 48.944 77.775 56.187 385 H PHE 50 H PHE 50 50.283 71.815 57.761 386 HA PHE 50 HA PHE 50 49.174 70.899 55.192 387 1HB PHE 50 2HB PHE 50 50.899 69.383 54.979 388 2HB PHE 50 1HB PHE 50 51.628 70.823 55.820 389 HD1 PHE 50 HD1 PHE 50 50.057 67.454 56.457 390 HD2 PHE 50 HD2 PHE 50 52.635 70.591 57.831 391 HE1 PHE 50 HE1 PHE 50 50.746 66.014 58.416 392 HE2 PHE 50 HE2 PHE 50 53.337 69.174 59.770 393 HZ PHE 50 HZ PHE 50 52.378 66.934 60.005 394 H LYS 51 H LYS 51 48.234 68.989 54.590 395 HA LYS 51 HA LYS 51 47.077 67.488 56.859 396 1HB LYS 51 2HB LYS 51 45.512 69.210 56.202 397 2HB LYS 51 1HB LYS 51 45.494 68.595 54.476 398 1HG LYS 51 2HG LYS 51 44.863 66.504 56.643 399 2HG LYS 51 1HG LYS 51 43.605 67.798 56.367 400 1HD LYS 51 2HD LYS 51 43.947 67.343 53.876 401 2HD LYS 51 1HD LYS 51 44.845 65.829 54.394 402 1HE LYS 51 2HE LYS 51 43.022 64.807 55.315 403 2HE LYS 51 1HE LYS 51 42.143 66.411 55.609 404 1HZ LYS 51 1HZ LYS 51 41.459 66.447 53.432 405 2HZ LYS 51 2HZ LYS 51 41.437 64.782 53.707 406 3HZ LYS 51 3HZ LYS 51 42.703 65.547 52.878 407 H THR 52 H THR 52 47.189 65.494 56.730 408 HA THR 52 HA THR 52 47.458 64.254 53.977 409 HB THR 52 HB THR 52 49.745 64.559 54.633 410 HG1 THR 52 1HG THR 52 49.019 62.651 53.913 411 1HG2 THR 52 1HG2 THR 52 48.795 64.517 57.391 412 2HG2 THR 52 2HG2 THR 52 50.551 64.502 56.903 413 3HG2 THR 52 3HG2 THR 52 49.668 62.964 57.181 414 H LYS 53 H LYS 53 46.819 62.239 53.690 415 HA LYS 53 HA LYS 53 46.141 60.681 56.150 416 1HB LYS 53 2HB LYS 53 43.683 60.384 55.547 417 2HB LYS 53 1HB LYS 53 44.028 62.132 55.272 418 1HG LYS 53 2HG LYS 53 44.109 59.914 53.115 419 2HG LYS 53 1HG LYS 53 42.680 60.983 53.534 420 1HD LYS 53 2HD LYS 53 44.410 62.936 53.176 421 2HD LYS 53 1HD LYS 53 45.165 61.717 52.046 422 1HE LYS 53 2HE LYS 53 43.262 61.528 50.696 423 2HE LYS 53 1HE LYS 53 42.135 62.298 51.941 424 1HZ LYS 53 1HZ LYS 53 43.827 64.254 51.644 425 2HZ LYS 53 2HZ LYS 53 42.519 64.134 50.677 426 3HZ LYS 53 3HZ LYS 53 43.993 63.588 50.108 427 H THR 54 H THR 54 45.795 58.564 55.767 428 HA THR 54 HA THR 54 47.270 57.442 53.412 429 HB THR 54 HB THR 54 47.540 55.493 54.613 430 HG1 THR 54 1HG THR 54 45.714 56.393 56.506 431 1HG2 THR 54 1HG2 THR 54 48.963 57.277 55.569 432 2HG2 THR 54 2HG2 THR 54 48.282 56.391 57.025 433 3HG2 THR 54 3HG2 THR 54 47.636 57.972 56.569 434 H ASN 55 H ASN 55 46.456 55.324 52.626 435 HA ASN 55 HA ASN 55 43.463 55.045 52.483 436 1HB ASN 55 2HB ASN 55 44.554 56.714 50.656 437 2HB ASN 55 1HB ASN 55 44.561 55.077 49.718 438 1HD2 ASN 55 2HD2 ASN 55 42.764 57.552 51.300 439 2HD2 ASN 55 1HD2 ASN 55 41.100 56.942 50.729 440 H SER 56 H SER 56 44.158 53.480 53.720 441 HA SER 56 HA SER 56 45.008 50.996 52.220 442 1HB SER 56 2HB SER 56 45.132 51.448 55.313 443 2HB SER 56 1HB SER 56 45.869 50.062 54.255 444 HG SER 56 HG SER 56 47.523 51.262 54.323 445 H THR 57 H THR 57 44.176 49.070 53.396 446 HA THR 57 HA THR 57 41.179 49.236 53.386 447 HB THR 57 HB THR 57 41.657 46.598 53.598 448 HG1 THR 57 1HG THR 57 43.708 46.228 52.541 449 1HG2 THR 57 1HG2 THR 57 42.673 47.972 51.051 450 2HG2 THR 57 2HG2 THR 57 40.913 48.080 51.449 451 3HG2 THR 57 3HG2 THR 57 41.628 46.465 51.148 452 H PHE 58 H PHE 58 43.796 48.022 55.219 453 HA PHE 58 HA PHE 58 42.511 47.183 57.614 454 1HB PHE 58 2HB PHE 58 45.309 47.731 56.835 455 2HB PHE 58 1HB PHE 58 44.895 48.564 58.414 456 HD1 PHE 58 HD1 PHE 58 46.072 47.166 60.008 457 HD2 PHE 58 HD2 PHE 58 43.525 45.414 57.044 458 HE1 PHE 58 HE1 PHE 58 46.301 44.995 61.165 459 HE2 PHE 58 HE2 PHE 58 43.758 43.249 58.221 460 HZ PHE 58 HZ PHE 58 45.127 43.020 60.257 461 H ARG 59 H ARG 59 44.241 50.317 57.338 462 HA ARG 59 HA ARG 59 41.890 51.538 58.888 463 1HB ARG 59 2HB ARG 59 44.783 51.719 59.919 464 2HB ARG 59 1HB ARG 59 43.383 52.755 60.416 465 1HG ARG 59 2HG ARG 59 43.278 49.657 60.683 466 2HG ARG 59 1HG ARG 59 43.897 50.833 61.947 467 1HD ARG 59 2HD ARG 59 41.856 51.774 62.376 468 2HD ARG 59 1HD ARG 59 41.231 51.436 60.708 469 HE ARG 59 HE ARG 59 41.836 48.984 62.022 470 1HH1 ARG 59 2HH2 ARG 59 39.551 51.739 61.866 471 2HH1 ARG 59 1HH2 ARG 59 38.155 50.837 62.363 472 1HH2 ARG 59 1HH1 ARG 59 39.745 47.730 62.738 473 2HH2 ARG 59 2HH1 ARG 59 38.270 48.663 62.821 474 H ASN 60 H ASN 60 41.621 53.565 58.847 475 HA ASN 60 HA ASN 60 43.238 54.874 56.655 476 1HB ASN 60 2HB ASN 60 40.398 55.433 57.745 477 2HB ASN 60 1HB ASN 60 41.172 56.335 56.302 478 1HD2 ASN 60 1HD2 ASN 60 39.180 55.547 55.392 479 2HD2 ASN 60 2HD2 ASN 60 39.198 53.984 54.591 480 H TYR 61 H TYR 61 44.800 55.385 57.878 481 HA TYR 61 HA TYR 61 44.484 57.004 60.269 482 1HB TYR 61 2HB TYR 61 46.410 55.335 59.550 483 2HB TYR 61 1HB TYR 61 47.018 56.716 58.513 484 HD1 TYR 61 HD1 TYR 61 45.402 56.950 61.965 485 HD2 TYR 61 HD2 TYR 61 49.083 57.053 59.678 486 HE1 TYR 61 HE1 TYR 61 46.549 57.766 63.923 487 HE2 TYR 61 HE2 TYR 61 50.279 57.882 61.681 488 HH TYR 61 HH TYR 61 48.503 58.182 64.772 489 H ASP 62 H ASP 62 45.453 59.061 60.511 490 HA ASP 62 HA ASP 62 45.796 60.867 58.186 491 1HB ASP 62 2HB ASP 62 43.353 60.752 58.325 492 2HB ASP 62 1HB ASP 62 43.508 61.096 60.198 493 H LEU 63 H LEU 63 47.587 61.604 58.585 494 HA LEU 63 HA LEU 63 48.336 62.477 61.343 495 1HB LEU 63 2HB LEU 63 49.688 61.418 59.118 496 2HB LEU 63 1HB LEU 63 50.283 63.120 59.141 497 HG LEU 63 HG LEU 63 51.803 61.757 60.628 498 1HD1 LEU 63 1HD1 LEU 63 49.793 63.528 62.146 499 2HD1 LEU 63 2HD1 LEU 63 51.585 63.691 61.752 500 3HD1 LEU 63 3HD1 LEU 63 51.003 62.559 63.008 501 1HD2 LEU 63 1HD2 LEU 63 50.436 60.522 62.542 502 2HD2 LEU 63 2HD2 LEU 63 50.860 59.749 60.970 503 3HD2 LEU 63 3HD2 LEU 63 49.162 60.439 61.214 504 H ASP 64 H ASP 64 46.186 64.073 60.129 505 HA ASP 64 HA ASP 64 47.204 66.523 59.051 506 1HB ASP 64 2HB ASP 64 45.106 67.390 59.806 507 2HB ASP 64 1HB ASP 64 44.738 65.608 59.324 508 H PHE 65 H PHE 65 48.271 68.221 59.879 509 HA PHE 65 HA PHE 65 48.217 68.939 62.645 510 1HB PHE 65 2HB PHE 65 49.605 66.818 62.917 511 2HB PHE 65 1HB PHE 65 50.673 67.385 61.586 512 HD1 PHE 65 HD1 PHE 65 49.284 69.341 64.500 513 HD2 PHE 65 HD2 PHE 65 52.691 67.584 62.552 514 HE1 PHE 65 HE1 PHE 65 50.666 70.414 66.099 515 HE2 PHE 65 HE2 PHE 65 54.154 68.699 64.208 516 HZ PHE 65 HZ PHE 65 53.169 70.126 66.000 517 H THR 66 H THR 66 49.278 70.746 62.929 518 HA THR 66 HA THR 66 49.929 72.541 60.649 519 HB THR 66 HB THR 66 50.655 73.175 63.470 520 HG1 THR 66 1HG THR 66 48.612 73.088 64.143 521 1HG2 THR 66 1HG2 THR 66 50.134 75.363 62.602 522 2HG2 THR 66 2HG2 THR 66 48.474 74.753 62.076 523 3HG2 THR 66 3HG2 THR 66 49.875 74.540 60.995 524 H VAL 67 H VAL 67 52.060 74.031 61.408 525 HA VAL 67 HA VAL 67 54.255 71.890 61.372 526 HB VAL 67 HB VAL 67 54.138 74.775 60.425 527 1HG1 VAL 67 1HG1 VAL 67 56.503 73.005 61.024 528 2HG1 VAL 67 2HG1 VAL 67 56.337 74.796 61.208 529 3HG1 VAL 67 3HG1 VAL 67 56.526 74.123 59.536 530 1HG2 VAL 67 1HG2 VAL 67 53.384 72.466 59.122 531 2HG2 VAL 67 2HG2 VAL 67 55.177 72.453 58.747 532 3HG2 VAL 67 3HG2 VAL 67 54.133 73.891 58.331 533 H GLY 68 H GLY 68 54.741 71.427 63.250 534 1HA GLY 68 1HA GLY 68 55.767 71.632 65.357 535 2HA GLY 68 2HA GLY 68 56.510 73.198 64.690 536 H VAL 69 H VAL 69 53.043 73.036 64.922 537 HA VAL 69 HA VAL 69 53.333 75.143 67.052 538 HB VAL 69 HB VAL 69 51.134 73.982 65.220 539 1HG1 VAL 69 1HG1 VAL 69 49.534 75.812 66.270 540 2HG1 VAL 69 2HG1 VAL 69 50.580 75.671 67.696 541 3HG1 VAL 69 3HG1 VAL 69 49.824 74.131 67.022 542 1HG2 VAL 69 1HG2 VAL 69 51.703 76.968 65.651 543 2HG2 VAL 69 2HG2 VAL 69 50.833 76.165 64.335 544 3HG2 VAL 69 3HG2 VAL 69 52.677 75.970 64.479 545 H GLU 70 H GLU 70 53.135 71.951 66.690 546 HA GLU 70 HA GLU 70 52.994 70.336 68.205 547 1HB GLU 70 2HB GLU 70 53.515 72.517 69.847 548 2HB GLU 70 1HB GLU 70 51.879 71.963 70.512 549 1HG GLU 70 2HG GLU 70 52.603 70.141 71.455 550 2HG GLU 70 1HG GLU 70 53.918 69.848 70.111 551 H PHE 71 H PHE 71 51.651 68.876 68.783 552 HA PHE 71 HA PHE 71 48.760 69.596 69.082 553 1HB PHE 71 2HB PHE 71 48.885 69.779 66.701 554 2HB PHE 71 1HB PHE 71 49.748 68.175 66.540 555 HD1 PHE 71 HD1 PHE 71 48.171 67.001 65.165 556 HD2 PHE 71 HD2 PHE 71 46.847 69.027 68.659 557 HE1 PHE 71 HE1 PHE 71 45.991 65.932 64.901 558 HE2 PHE 71 HE2 PHE 71 44.547 67.941 68.420 559 HZ PHE 71 HZ PHE 71 44.160 66.398 66.530 560 H ASP 72 H ASP 72 48.121 68.272 70.565 561 HA ASP 72 HA ASP 72 49.133 65.513 70.900 562 1HB ASP 72 2HB ASP 72 46.657 65.452 72.139 563 2HB ASP 72 1HB ASP 72 48.260 65.989 72.979 564 H GLU 73 H GLU 73 48.565 63.891 69.622 565 HA GLU 73 HA GLU 73 45.967 63.942 68.032 566 1HB GLU 73 2HB GLU 73 48.322 62.050 67.658 567 2HB GLU 73 1HB GLU 73 47.175 62.738 66.429 568 1HG GLU 73 2HG GLU 73 48.159 65.068 67.072 569 2HG GLU 73 1HG GLU 73 49.606 64.059 67.716 570 H HIS 74 H HIS 74 46.048 61.291 67.338 571 HA HIS 74 HA HIS 74 45.972 59.509 69.636 572 1HB HIS 74 2HB HIS 74 43.661 61.301 69.175 573 2HB HIS 74 1HB HIS 74 43.220 59.570 68.710 574 HD1 HIS 74 HD1 HIS 74 43.638 61.651 71.764 575 HD2 HIS 74 HD2 HIS 74 43.819 57.600 70.525 576 HE1 HIS 74 HE1 HIS 74 43.452 60.175 73.875 577 HE2 HIS 74 HE2 HIS 74 43.577 57.746 73.115 578 H THR 75 H THR 75 45.994 57.514 69.079 579 HA THR 75 HA THR 75 45.682 56.864 66.223 580 HB THR 75 HB THR 75 46.821 54.754 66.879 581 HG1 THR 75 1HG THR 75 46.916 54.173 68.847 582 1HG2 THR 75 1HG2 THR 75 48.966 55.856 67.400 583 2HG2 THR 75 2HG2 THR 75 48.219 57.008 68.570 584 3HG2 THR 75 3HG2 THR 75 48.042 57.266 66.761 585 H LYS 76 H LYS 76 43.252 57.316 67.520 586 HA LYS 76 HA LYS 76 42.136 54.748 68.482 587 1HB LYS 76 2HB LYS 76 40.911 57.492 67.839 588 2HB LYS 76 1HB LYS 76 39.938 56.016 68.175 589 1HG LYS 76 2HG LYS 76 41.747 55.691 70.199 590 2HG LYS 76 1HG LYS 76 41.838 57.501 70.000 591 1HD LYS 76 2HD LYS 76 39.092 56.255 70.060 592 2HD LYS 76 1HD LYS 76 39.993 56.342 71.667 593 1HE LYS 76 2HE LYS 76 39.685 58.774 69.751 594 2HE LYS 76 1HE LYS 76 38.528 58.423 71.099 595 1HZ LYS 76 1HZ LYS 76 41.313 59.321 71.194 596 2HZ LYS 76 2HZ LYS 76 40.824 58.264 72.406 597 3HZ LYS 76 3HZ LYS 76 40.059 59.714 72.196 598 H GLY 77 H GLY 77 41.202 53.284 67.568 599 1HA GLY 77 1HA GLY 77 39.576 52.504 65.777 600 2HA GLY 77 2HA GLY 77 40.465 53.564 64.625 601 H LEU 78 H LEU 78 42.838 53.370 65.276 602 HA LEU 78 HA LEU 78 43.871 51.035 63.888 603 1HB LEU 78 2HB LEU 78 44.871 53.407 65.439 604 2HB LEU 78 1HB LEU 78 46.095 52.043 65.203 605 HG LEU 78 HG LEU 78 44.495 52.994 62.815 606 1HD1 LEU 78 1HD1 LEU 78 46.226 54.830 62.444 607 2HD1 LEU 78 2HD1 LEU 78 46.473 54.720 64.289 608 3HD1 LEU 78 3HD1 LEU 78 44.852 55.140 63.580 609 1HD2 LEU 78 1HD2 LEU 78 47.120 52.883 61.993 610 2HD2 LEU 78 2HD2 LEU 78 46.104 51.401 62.196 611 3HD2 LEU 78 3HD2 LEU 78 47.235 51.834 63.502 612 H ASP 79 H ASP 79 44.743 52.167 67.176 613 HA ASP 79 HA ASP 79 44.448 49.370 68.108 614 1HB ASP 79 2HB ASP 79 46.846 50.091 67.309 615 2HB ASP 79 1HB ASP 79 46.873 51.047 68.922 616 H GLY 80 H GLY 80 45.364 52.749 68.934 617 1HA GLY 80 1HA GLY 80 44.076 54.157 70.301 618 2HA GLY 80 2HA GLY 80 43.412 52.633 71.170 619 H ARG 81 H ARG 81 45.845 54.944 70.538 620 HA ARG 81 HA ARG 81 46.930 54.704 73.340 621 1HB ARG 81 2HB ARG 81 48.420 54.410 70.710 622 2HB ARG 81 1HB ARG 81 49.322 55.210 72.099 623 1HG ARG 81 2HG ARG 81 49.756 53.085 72.821 624 2HG ARG 81 1HG ARG 81 48.043 53.095 73.383 625 1HD ARG 81 2HD ARG 81 48.110 52.427 70.524 626 2HD ARG 81 1HD ARG 81 49.343 51.419 71.377 627 HE ARG 81 HE ARG 81 46.521 51.100 71.470 628 1HH1 ARG 81 1HH2 ARG 81 49.464 50.958 73.518 629 2HH1 ARG 81 2HH2 ARG 81 48.793 49.756 74.632 630 1HH2 ARG 81 1HH1 ARG 81 45.672 49.508 72.977 631 2HH2 ARG 81 2HH1 ARG 81 46.626 48.922 74.342 632 H ASN 82 H ASN 82 48.489 56.644 73.828 633 HA ASN 82 HA ASN 82 47.063 59.037 72.684 634 1HB ASN 82 2HB ASN 82 46.640 59.347 75.061 635 2HB ASN 82 1HB ASN 82 48.080 58.246 75.496 636 1HD2 ASN 82 1HD2 ASN 82 50.022 58.914 75.690 637 2HD2 ASN 82 2HD2 ASN 82 50.464 60.619 75.682 638 H VAL 83 H VAL 83 48.032 60.422 71.675 639 HA VAL 83 HA VAL 83 51.066 60.581 71.864 640 HB VAL 83 HB VAL 83 50.961 60.834 69.274 641 1HG1 VAL 83 1HG1 VAL 83 50.434 58.069 70.493 642 2HG1 VAL 83 2HG1 VAL 83 52.044 58.827 70.345 643 3HG1 VAL 83 3HG1 VAL 83 51.121 58.370 68.859 644 1HG2 VAL 83 1HG2 VAL 83 48.435 60.915 69.252 645 2HG2 VAL 83 2HG2 VAL 83 48.400 59.167 69.709 646 3HG2 VAL 83 3HG2 VAL 83 49.125 59.724 68.085 647 H LYS 84 H LYS 84 52.020 62.200 70.925 648 HA LYS 84 HA LYS 84 50.628 64.598 70.026 649 1HB LYS 84 2HB LYS 84 51.421 66.161 71.654 650 2HB LYS 84 1HB LYS 84 50.669 64.739 72.565 651 1HG LYS 84 2HG LYS 84 53.657 64.742 71.982 652 2HG LYS 84 1HG LYS 84 53.019 65.708 73.383 653 1HD LYS 84 2HD LYS 84 52.111 62.831 73.043 654 2HD LYS 84 1HD LYS 84 53.681 63.172 73.888 655 1HE LYS 84 2HE LYS 84 51.228 64.822 74.618 656 2HE LYS 84 1HE LYS 84 51.303 63.075 75.169 657 1HZ LYS 84 1HZ LYS 84 53.725 63.838 75.952 658 2HZ LYS 84 2HZ LYS 84 52.379 64.190 76.884 659 3HZ LYS 84 3HZ LYS 84 53.011 65.345 75.889 660 H THR 85 H THR 85 51.609 65.741 68.779 661 HA THR 85 HA THR 85 54.324 64.893 67.837 662 HB THR 85 HB THR 85 51.666 65.629 66.571 663 HG1 THR 85 1HG THR 85 51.981 63.750 67.448 664 1HG2 THR 85 1HG2 THR 85 53.291 64.680 64.490 665 2HG2 THR 85 2HG2 THR 85 54.555 65.513 65.498 666 3HG2 THR 85 3HG2 THR 85 53.169 66.464 64.741 667 H LEU 86 H LEU 86 55.667 66.166 66.961 668 HA LEU 86 HA LEU 86 55.156 69.074 66.788 669 1HB LEU 86 2HB LEU 86 55.993 68.848 69.096 670 2HB LEU 86 1HB LEU 86 57.420 67.861 68.517 671 HG LEU 86 HG LEU 86 57.174 70.574 67.178 672 1HD1 LEU 86 1HD1 LEU 86 58.560 71.233 69.374 673 2HD1 LEU 86 2HD1 LEU 86 57.669 69.828 70.121 674 3HD1 LEU 86 3HD1 LEU 86 56.740 71.247 69.467 675 1HD2 LEU 86 1HD2 LEU 86 59.064 68.384 67.487 676 2HD2 LEU 86 2HD2 LEU 86 59.731 69.855 68.328 677 3HD2 LEU 86 3HD2 LEU 86 59.260 69.896 66.568 678 H VAL 87 H VAL 87 55.808 69.614 64.959 679 HA VAL 87 HA VAL 87 58.039 68.199 63.575 680 HB VAL 87 HB VAL 87 55.382 69.039 62.719 681 1HG1 VAL 87 1HG1 VAL 87 55.699 70.510 60.870 682 2HG1 VAL 87 2HG1 VAL 87 57.454 70.425 61.014 683 3HG1 VAL 87 3HG1 VAL 87 56.517 71.327 62.274 684 1HG2 VAL 87 1HG2 VAL 87 55.959 67.555 60.955 685 2HG2 VAL 87 2HG2 VAL 87 57.463 67.267 61.931 686 3HG2 VAL 87 3HG2 VAL 87 57.443 68.507 60.589 687 H THR 88 H THR 88 59.311 69.279 62.122 688 HA THR 88 HA THR 88 59.933 72.115 62.448 689 HB THR 88 HB THR 88 61.746 69.750 63.367 690 HG1 THR 88 1HG THR 88 60.515 71.708 64.945 691 1HG2 THR 88 1HG2 THR 88 63.328 71.549 64.090 692 2HG2 THR 88 2HG2 THR 88 62.090 72.831 63.855 693 3HG2 THR 88 3HG2 THR 88 62.812 71.948 62.399 694 H TRP 89 H TRP 89 60.162 72.538 60.465 695 HA TRP 89 HA TRP 89 60.886 70.886 58.161 696 1HB TRP 89 2HB TRP 89 61.130 73.909 58.915 697 2HB TRP 89 1HB TRP 89 61.825 73.307 57.365 698 HD1 TRP 89 HD1 TRP 89 58.483 73.731 59.271 699 HE1 TRP 89 HE1 TRP 89 56.681 73.333 57.490 700 HE3 TRP 89 HE3 TRP 89 61.390 72.261 55.532 701 HZ2 TRP 89 HZ2 TRP 89 56.561 72.431 54.692 702 HZ3 TRP 89 HZ3 TRP 89 60.564 71.626 53.349 703 HH2 TRP 89 HH2 TRP 89 58.155 71.722 52.970 704 H GLU 90 H GLU 90 62.824 70.409 57.117 705 HA GLU 90 HA GLU 90 65.134 71.381 58.741 706 1HB GLU 90 2HB GLU 90 64.044 69.033 59.429 707 2HB GLU 90 1HB GLU 90 65.001 68.467 57.998 708 1HG GLU 90 2HG GLU 90 66.588 68.243 59.937 709 2HG GLU 90 1HG GLU 90 66.987 69.929 59.314 710 H GLY 91 H GLY 91 64.158 72.080 56.316 711 1HA GLY 91 1HA GLY 91 65.937 72.918 54.704 712 2HA GLY 91 2HA GLY 91 66.175 71.101 54.326 713 H ASN 92 H ASN 92 64.792 69.937 53.586 714 HA ASN 92 HA ASN 92 62.250 71.041 52.366 715 1HB ASN 92 2HB ASN 92 63.956 68.830 51.113 716 2HB ASN 92 1HB ASN 92 62.468 69.734 50.425 717 1HD2 ASN 92 2HD2 ASN 92 65.516 69.452 49.862 718 2HD2 ASN 92 1HD2 ASN 92 66.014 71.107 49.524 719 H THR 93 H THR 93 63.257 69.755 54.857 720 HA THR 93 HA THR 93 61.554 67.275 54.843 721 HB THR 93 HB THR 93 63.366 67.738 57.214 722 HG1 THR 93 1HG THR 93 65.097 67.473 56.101 723 1HG2 THR 93 1HG2 THR 93 63.850 65.256 55.790 724 2HG2 THR 93 2HG2 THR 93 62.050 65.541 55.698 725 3HG2 THR 93 3HG2 THR 93 62.797 65.403 57.288 726 H LEU 94 H LEU 94 61.295 66.968 57.583 727 HA LEU 94 HA LEU 94 60.050 69.156 58.885 728 1HB LEU 94 2HB LEU 94 57.582 68.299 58.630 729 2HB LEU 94 1HB LEU 94 58.345 69.132 57.192 730 HG LEU 94 HG LEU 94 59.076 66.445 56.924 731 1HD1 LEU 94 1HD1 LEU 94 56.243 66.680 58.063 732 2HD1 LEU 94 2HD1 LEU 94 57.503 65.494 58.481 733 3HD1 LEU 94 3HD1 LEU 94 56.670 65.282 56.906 734 1HD2 LEU 94 1HD2 LEU 94 57.771 68.412 55.469 735 2HD2 LEU 94 2HD2 LEU 94 56.646 67.004 55.381 736 3HD2 LEU 94 3HD2 LEU 94 58.406 66.823 54.848 737 H VAL 95 H VAL 95 61.774 67.616 59.588 738 HA VAL 95 HA VAL 95 61.422 65.144 60.762 739 HB VAL 95 HB VAL 95 62.637 67.684 62.030 740 1HG1 VAL 95 1HG1 VAL 95 62.410 65.751 63.665 741 2HG1 VAL 95 2HG1 VAL 95 64.145 66.237 63.297 742 3HG1 VAL 95 3HG1 VAL 95 63.305 64.792 62.485 743 1HG2 VAL 95 1HG2 VAL 95 63.437 66.503 59.596 744 2HG2 VAL 95 2HG2 VAL 95 64.368 65.508 60.776 745 3HG2 VAL 95 3HG2 VAL 95 64.615 67.316 60.729 746 H CYS 96 H CYS 96 59.475 64.758 61.481 747 HA CYS 96 HA CYS 96 58.380 66.157 63.926 748 1HB CYS 96 2HB CYS 96 56.265 65.751 62.950 749 2HB CYS 96 1HB CYS 96 57.090 65.173 61.513 750 HG CYS 96 HG CYS 96 56.912 62.852 61.740 751 H VAL 97 H VAL 97 57.480 64.808 65.517 752 HA VAL 97 HA VAL 97 58.596 62.126 65.989 753 HB VAL 97 HB VAL 97 59.079 64.208 68.129 754 1HG1 VAL 97 1HG1 VAL 97 60.950 62.757 68.624 755 2HG1 VAL 97 2HG1 VAL 97 60.838 61.899 67.003 756 3HG1 VAL 97 3HG1 VAL 97 59.560 61.614 68.250 757 1HG2 VAL 97 1HG2 VAL 97 61.293 64.725 67.214 758 2HG2 VAL 97 2HG2 VAL 97 59.957 65.324 66.132 759 3HG2 VAL 97 3HG2 VAL 97 60.910 63.813 65.688 760 H GLN 98 H GLN 98 57.600 61.045 67.628 761 HA GLN 98 HA GLN 98 55.111 62.268 68.798 762 1HB GLN 98 2HB GLN 98 55.496 59.853 67.297 763 2HB GLN 98 1HB GLN 98 55.405 59.271 69.037 764 1HG GLN 98 2HG GLN 98 53.086 59.567 68.879 765 2HG GLN 98 1HG GLN 98 53.350 61.339 68.562 766 1HE2 GLN 98 2HE2 GLN 98 54.539 61.494 66.359 767 2HE2 GLN 98 1HE2 GLN 98 53.548 60.824 65.030 768 H LYS 99 H LYS 99 54.534 61.901 70.796 769 HA LYS 99 HA LYS 99 56.626 60.724 72.675 770 1HB LYS 99 2HB LYS 99 55.419 63.380 72.490 771 2HB LYS 99 1HB LYS 99 55.517 62.724 74.186 772 1HG LYS 99 2HG LYS 99 57.467 63.885 73.922 773 2HG LYS 99 1HG LYS 99 57.984 62.159 73.645 774 1HD LYS 99 2HD LYS 99 59.102 63.613 71.965 775 2HD LYS 99 1HD LYS 99 57.728 62.815 71.078 776 1HE LYS 99 2HE LYS 99 57.943 65.335 70.667 777 2HE LYS 99 1HE LYS 99 56.342 64.716 71.268 778 1HZ LYS 99 1HZ LYS 99 57.407 66.824 72.412 779 2HZ LYS 99 2HZ LYS 99 58.273 65.667 73.252 780 3HZ LYS 99 3HZ LYS 99 56.601 65.616 73.276 781 H GLY 100 H GLY 100 54.540 59.287 71.647 782 1HA GLY 100 1HA GLY 100 52.470 59.311 73.886 783 2HA GLY 100 2HA GLY 100 52.246 58.521 72.266 784 H GLU 101 H GLU 101 54.872 58.667 74.569 785 HA GLU 101 HA GLU 101 55.840 57.194 76.048 786 1HB GLU 101 2HB GLU 101 53.402 55.844 75.958 787 2HB GLU 101 1HB GLU 101 54.321 54.858 74.769 788 1HG GLU 101 2HG GLU 101 55.968 54.188 76.381 789 2HG GLU 101 1HG GLU 101 55.316 55.436 77.597 790 H LYS 102 H LYS 102 55.956 57.793 73.098 791 HA LYS 102 HA LYS 102 57.880 55.698 72.094 792 1HB LYS 102 2HB LYS 102 56.375 58.134 70.901 793 2HB LYS 102 1HB LYS 102 57.807 57.331 70.078 794 1HG LYS 102 2HG LYS 102 56.064 56.005 69.171 795 2HG LYS 102 1HG LYS 102 56.539 55.135 70.691 796 1HD LYS 102 2HD LYS 102 54.762 56.575 71.859 797 2HD LYS 102 1HD LYS 102 54.034 56.802 70.190 798 1HE LYS 102 2HE LYS 102 54.690 53.991 70.430 799 2HE LYS 102 1HE LYS 102 54.069 54.554 72.046 800 1HZ LYS 102 1HZ LYS 102 52.158 53.991 70.853 801 2HZ LYS 102 2HZ LYS 102 52.793 54.423 69.395 802 3HZ LYS 102 3HZ LYS 102 52.246 55.604 70.451 803 H GLU 103 H GLU 103 57.565 59.135 72.223 804 HA GLU 103 HA GLU 103 58.955 60.895 72.136 805 1HB GLU 103 2HB GLU 103 60.910 59.560 74.096 806 2HB GLU 103 1HB GLU 103 60.202 61.208 74.116 807 1HG GLU 103 2HG GLU 103 57.943 60.327 74.589 808 2HG GLU 103 1HG GLU 103 58.756 58.661 74.873 809 H ASN 104 H ASN 104 59.493 58.908 70.362 810 HA ASN 104 HA ASN 104 61.791 59.905 69.108 811 1HB ASN 104 2HB ASN 104 62.870 58.428 70.991 812 2HB ASN 104 1HB ASN 104 62.062 56.976 70.201 813 1HD2 ASN 104 2HD2 ASN 104 63.339 55.996 68.919 814 2HD2 ASN 104 1HD2 ASN 104 64.763 56.808 67.942 815 H ARG 105 H ARG 105 59.209 59.607 68.248 816 HA ARG 105 HA ARG 105 59.488 57.365 66.268 817 1HB ARG 105 2HB ARG 105 57.769 56.520 67.937 818 2HB ARG 105 1HB ARG 105 56.844 58.026 67.607 819 1HG ARG 105 2HG ARG 105 56.903 57.410 65.097 820 2HG ARG 105 1HG ARG 105 57.632 55.827 65.592 821 1HD ARG 105 2HD ARG 105 55.649 54.991 66.186 822 2HD ARG 105 1HD ARG 105 55.219 56.451 67.173 823 HE ARG 105 HE ARG 105 53.999 57.271 65.446 824 1HH1 ARG 105 1HH1 ARG 105 56.132 54.749 64.259 825 2HH1 ARG 105 2HH1 ARG 105 55.510 54.653 62.585 826 1HH2 ARG 105 1HH2 ARG 105 53.058 57.235 63.186 827 2HH2 ARG 105 2HH2 ARG 105 53.733 56.119 62.033 828 H GLY 106 H GLY 106 60.255 58.757 64.919 829 1HA GLY 106 1HA GLY 106 58.191 60.708 63.733 830 2HA GLY 106 2HA GLY 106 59.963 61.050 63.971 831 H TRP 107 H TRP 107 58.821 61.466 61.695 832 HA TRP 107 HA TRP 107 60.211 59.432 59.953 833 1HB TRP 107 2HB TRP 107 58.394 60.934 58.309 834 2HB TRP 107 1HB TRP 107 58.448 59.150 58.640 835 HD1 TRP 107 HD1 TRP 107 57.159 58.572 61.304 836 HE1 TRP 107 HE1 TRP 107 55.004 59.575 62.230 837 HE3 TRP 107 HE3 TRP 107 57.035 62.594 58.340 838 HZ2 TRP 107 HZ2 TRP 107 53.563 61.733 61.706 839 HZ3 TRP 107 HZ3 TRP 107 55.139 64.169 58.621 840 HH2 TRP 107 HH2 TRP 107 53.431 63.713 60.303 841 H LYS 108 H LYS 108 61.679 59.974 58.620 842 HA LYS 108 HA LYS 108 62.376 62.894 58.307 843 1HB LYS 108 2HB LYS 108 64.002 60.350 57.653 844 2HB LYS 108 1HB LYS 108 64.676 62.051 57.783 845 1HG LYS 108 2HG LYS 108 63.450 61.759 60.235 846 2HG LYS 108 1HG LYS 108 64.127 60.055 59.913 847 1HD LYS 108 2HD LYS 108 65.855 61.352 61.122 848 2HD LYS 108 1HD LYS 108 66.394 61.211 59.387 849 1HE LYS 108 2HE LYS 108 65.652 63.476 58.897 850 2HE LYS 108 1HE LYS 108 64.682 63.532 60.479 851 1HZ LYS 108 1HZ LYS 108 66.435 64.139 61.607 852 2HZ LYS 108 2HZ LYS 108 67.050 64.655 60.150 853 3HZ LYS 108 3HZ LYS 108 67.534 63.190 60.784 854 H GLN 109 H GLN 109 60.380 62.170 57.053 855 HA GLN 109 HA GLN 109 60.798 61.125 54.356 856 1HB GLN 109 2HB GLN 109 58.623 61.732 55.698 857 2HB GLN 109 1HB GLN 109 58.702 63.320 54.806 858 1HG GLN 109 2HG GLN 109 59.075 61.552 52.702 859 2HG GLN 109 1HG GLN 109 58.310 60.415 53.937 860 1HE2 GLN 109 1HE2 GLN 109 56.468 60.581 54.434 861 2HE2 GLN 109 2HE2 GLN 109 55.189 61.785 53.760 862 H TRP 110 H TRP 110 62.959 62.180 53.743 863 HA TRP 110 HA TRP 110 62.527 65.157 53.184 864 1HB TRP 110 2HB TRP 110 64.642 65.463 53.637 865 2HB TRP 110 1HB TRP 110 64.519 63.894 54.525 866 HD1 TRP 110 HD1 TRP 110 65.520 65.289 51.157 867 HE1 TRP 110 HE1 TRP 110 67.220 63.658 50.036 868 HE3 TRP 110 HE3 TRP 110 65.210 61.751 54.649 869 HZ2 TRP 110 HZ2 TRP 110 68.177 61.091 50.835 870 HZ3 TRP 110 HZ3 TRP 110 66.528 59.664 54.477 871 HH2 TRP 110 HH2 TRP 110 67.938 59.361 52.660 872 H VAL 111 H VAL 111 61.791 65.710 51.394 873 HA VAL 111 HA VAL 111 61.448 63.913 49.161 874 HB VAL 111 HB VAL 111 61.433 66.950 49.411 875 1HG1 VAL 111 1HG1 VAL 111 60.111 65.184 47.196 876 2HG1 VAL 111 2HG1 VAL 111 61.505 66.313 47.010 877 3HG1 VAL 111 3HG1 VAL 111 59.931 66.978 47.447 878 1HG2 VAL 111 1HG2 VAL 111 58.717 65.964 49.284 879 2HG2 VAL 111 2HG2 VAL 111 59.648 66.559 50.719 880 3HG2 VAL 111 3HG2 VAL 111 59.695 64.760 50.281 881 H GLU 112 H GLU 112 62.397 63.481 47.499 882 HA GLU 112 HA GLU 112 64.833 64.948 46.671 883 1HB GLU 112 2HB GLU 112 64.315 62.045 47.045 884 2HB GLU 112 1HB GLU 112 65.144 62.439 45.486 885 1HG GLU 112 2HG GLU 112 66.045 63.678 48.112 886 2HG GLU 112 1HG GLU 112 66.663 61.999 47.586 887 H GLY 113 H GLY 113 61.890 63.419 45.675 888 1HA GLY 113 1HA GLY 113 60.523 64.425 43.806 889 2HA GLY 113 2HA GLY 113 62.066 64.707 42.935 890 H ASP 114 H ASP 114 59.380 62.734 43.315 891 HA ASP 114 HA ASP 114 58.682 60.713 42.561 892 1HB ASP 114 2HB ASP 114 60.926 60.897 40.360 893 2HB ASP 114 1HB ASP 114 59.193 60.269 40.239 894 H LYS 115 H LYS 115 60.634 60.810 44.523 895 HA LYS 115 HA LYS 115 61.037 58.162 45.187 896 1HB LYS 115 2HB LYS 115 63.162 59.065 43.188 897 2HB LYS 115 1HB LYS 115 63.704 58.243 44.715 898 1HG LYS 115 2HG LYS 115 61.343 56.984 43.304 899 2HG LYS 115 1HG LYS 115 62.926 56.973 42.401 900 1HD LYS 115 2HD LYS 115 63.702 55.286 43.829 901 2HD LYS 115 1HD LYS 115 63.421 56.328 45.248 902 1HE LYS 115 2HE LYS 115 62.004 54.318 45.449 903 2HE LYS 115 1HE LYS 115 60.973 55.775 45.136 904 1HZ LYS 115 1HZ LYS 115 61.109 53.417 43.651 905 2HZ LYS 115 2HZ LYS 115 61.746 54.650 42.645 906 3HZ LYS 115 3HZ LYS 115 60.201 54.748 43.296 907 H LEU 116 H LEU 116 61.257 58.232 47.180 908 HA LEU 116 HA LEU 116 63.472 59.894 48.233 909 1HB LEU 116 2HB LEU 116 62.161 61.226 49.833 910 2HB LEU 116 1HB LEU 116 61.861 61.681 48.078 911 HG LEU 116 HG LEU 116 59.805 61.665 49.613 912 1HD1 LEU 116 1HD1 LEU 116 59.343 59.850 47.145 913 2HD1 LEU 116 2HD1 LEU 116 60.192 61.389 46.904 914 3HD1 LEU 116 3HD1 LEU 116 58.527 61.328 47.716 915 1HD2 LEU 116 1HD2 LEU 116 59.699 58.703 49.029 916 2HD2 LEU 116 2HD2 LEU 116 58.722 59.636 50.275 917 3HD2 LEU 116 3HD2 LEU 116 60.437 59.261 50.585 918 H TYR 117 H TYR 117 63.707 59.962 50.423 919 HA TYR 117 HA TYR 117 63.127 57.204 51.454 920 1HB TYR 117 2HB TYR 117 65.502 59.188 51.580 921 2HB TYR 117 1HB TYR 117 65.380 57.900 52.834 922 HD1 TYR 117 HD1 TYR 117 67.220 58.580 50.055 923 HD2 TYR 117 HD2 TYR 117 64.327 55.567 51.115 924 HE1 TYR 117 HE1 TYR 117 68.173 57.119 48.384 925 HE2 TYR 117 HE2 TYR 117 65.299 54.097 49.414 926 HH TYR 117 HH TYR 117 68.040 55.236 47.364 927 H LEU 118 H LEU 118 61.585 57.101 52.768 928 HA LEU 118 HA LEU 118 61.344 59.294 54.782 929 1HB LEU 118 2HB LEU 118 59.257 58.537 53.605 930 2HB LEU 118 1HB LEU 118 59.614 56.801 54.053 931 HG LEU 118 HG LEU 118 59.096 57.151 56.437 932 1HD1 LEU 118 1HD1 LEU 118 58.322 59.782 56.729 933 2HD1 LEU 118 2HD1 LEU 118 59.695 59.997 55.622 934 3HD1 LEU 118 3HD1 LEU 118 59.916 59.097 57.232 935 1HD2 LEU 118 1HD2 LEU 118 57.130 58.383 54.406 936 2HD2 LEU 118 2HD2 LEU 118 56.910 58.639 56.216 937 3HD2 LEU 118 3HD2 LEU 118 56.917 56.980 55.492 938 H GLU 119 H GLU 119 63.050 58.898 56.225 939 HA GLU 119 HA GLU 119 63.561 56.165 57.146 940 1HB GLU 119 2HB GLU 119 64.866 58.618 58.458 941 2HB GLU 119 1HB GLU 119 65.443 56.948 58.082 942 1HG GLU 119 2HG GLU 119 64.938 57.627 55.576 943 2HG GLU 119 1HG GLU 119 65.072 59.320 56.196 944 H LEU 120 H LEU 120 62.110 55.319 58.391 945 HA LEU 120 HA LEU 120 60.765 56.898 60.517 946 1HB LEU 120 2HB LEU 120 60.310 54.372 59.064 947 2HB LEU 120 1HB LEU 120 60.153 54.128 60.850 948 HG LEU 120 HG LEU 120 58.276 54.968 59.012 949 1HD1 LEU 120 1HD1 LEU 120 56.780 55.104 60.838 950 2HD1 LEU 120 2HD1 LEU 120 57.954 56.165 61.828 951 3HD1 LEU 120 3HD1 LEU 120 58.156 54.362 61.716 952 1HD2 LEU 120 1HD2 LEU 120 57.577 57.247 59.321 953 2HD2 LEU 120 2HD2 LEU 120 59.260 57.241 58.786 954 3HD2 LEU 120 3HD2 LEU 120 58.891 57.534 60.564 955 H THR 121 H THR 121 61.252 56.918 62.452 956 HA THR 121 HA THR 121 63.605 55.221 63.415 957 HB THR 121 HB THR 121 64.142 57.108 64.998 958 HG1 THR 121 1HG THR 121 63.213 59.117 64.422 959 1HG2 THR 121 1HG2 THR 121 65.354 58.353 63.178 960 2HG2 THR 121 2HG2 THR 121 64.096 57.859 61.976 961 3HG2 THR 121 3HG2 THR 121 65.223 56.608 62.601 962 H CYS 122 H CYS 122 60.771 54.446 63.573 963 HA CYS 122 HA CYS 122 59.712 54.925 66.162 964 1HB CYS 122 2HB CYS 122 58.433 54.057 64.310 965 2HB CYS 122 1HB CYS 122 59.445 52.618 64.104 966 HG CYS 122 HG CYS 122 56.864 52.580 65.422 967 H GLY 123 H GLY 123 60.032 54.219 68.017 968 1HA GLY 123 1HA GLY 123 60.817 53.034 69.877 969 2HA GLY 123 2HA GLY 123 60.749 51.601 68.735 970 H ASP 124 H ASP 124 62.396 50.668 69.576 971 HA ASP 124 HA ASP 124 65.041 51.875 70.013 972 1HB ASP 124 2HB ASP 124 64.158 49.611 71.102 973 2HB ASP 124 1HB ASP 124 64.218 48.923 69.406 974 H GLN 125 H GLN 125 63.765 49.625 67.501 975 HA GLN 125 HA GLN 125 66.333 49.981 66.089 976 1HB GLN 125 2HB GLN 125 63.701 48.477 65.615 977 2HB GLN 125 1HB GLN 125 64.695 48.810 64.178 978 1HG GLN 125 2HG GLN 125 65.982 47.124 64.574 979 2HG GLN 125 1HG GLN 125 66.539 47.848 66.151 980 1HE2 GLN 125 2HE2 GLN 125 64.027 46.077 64.474 981 2HE2 GLN 125 1HE2 GLN 125 63.445 45.120 66.007 982 H VAL 126 H VAL 126 65.805 50.322 63.614 983 HA VAL 126 HA VAL 126 64.277 52.879 63.214 984 HB VAL 126 HB VAL 126 67.106 51.968 62.224 985 1HG1 VAL 126 1HG1 VAL 126 66.990 53.670 60.703 986 2HG1 VAL 126 2HG1 VAL 126 66.382 54.848 61.968 987 3HG1 VAL 126 3HG1 VAL 126 65.210 53.767 60.998 988 1HG2 VAL 126 1HG2 VAL 126 66.499 52.936 64.707 989 2HG2 VAL 126 2HG2 VAL 126 66.640 54.486 63.871 990 3HG2 VAL 126 3HG2 VAL 126 68.056 53.299 63.932 991 H CYS 127 H CYS 127 62.864 52.704 61.551 992 HA CYS 127 HA CYS 127 63.331 50.467 59.507 993 1HB CYS 127 2HB CYS 127 60.666 51.887 59.610 994 2HB CYS 127 1HB CYS 127 61.042 50.165 59.484 995 HG CYS 127 HG CYS 127 60.672 49.578 61.767 996 H ARG 128 H ARG 128 63.985 51.218 57.496 997 HA ARG 128 HA ARG 128 63.445 54.200 57.085 998 1HB ARG 128 2HB ARG 128 65.719 53.320 56.663 999 2HB ARG 128 1HB ARG 128 65.029 52.225 55.370 1000 1HG ARG 128 2HG ARG 128 63.946 54.396 54.310 1001 2HG ARG 128 1HG ARG 128 65.087 55.298 55.330 1002 1HD ARG 128 2HD ARG 128 65.828 52.943 53.350 1003 2HD ARG 128 1HD ARG 128 65.881 54.724 52.891 1004 HE ARG 128 HE ARG 128 67.485 54.693 55.027 1005 1HH1 ARG 128 2HH2 ARG 128 67.245 52.602 52.136 1006 2HH1 ARG 128 1HH2 ARG 128 68.946 52.250 52.056 1007 1HH2 ARG 128 2HH1 ARG 128 69.805 54.238 54.913 1008 2HH2 ARG 128 1HH1 ARG 128 70.394 53.192 53.645 1009 H GLN 129 H GLN 129 61.270 54.325 56.784 1010 HA GLN 129 HA GLN 129 59.949 52.528 55.042 1011 1HB GLN 129 2HB GLN 129 58.715 54.134 56.497 1012 2HB GLN 129 1HB GLN 129 59.121 55.475 55.339 1013 1HG GLN 129 2HG GLN 129 57.298 54.925 54.260 1014 2HG GLN 129 1HG GLN 129 58.197 53.479 53.594 1015 1HE2 GLN 129 2HE2 GLN 129 58.428 52.166 56.188 1016 2HE2 GLN 129 1HE2 GLN 129 56.839 51.528 56.578 1017 H VAL 130 H VAL 130 59.620 52.372 52.792 1018 HA VAL 130 HA VAL 130 61.320 54.199 51.081 1019 HB VAL 130 HB VAL 130 60.627 51.211 51.087 1020 1HG1 VAL 130 1HG1 VAL 130 60.629 53.062 48.577 1021 2HG1 VAL 130 2HG1 VAL 130 59.445 51.761 49.013 1022 3HG1 VAL 130 3HG1 VAL 130 61.143 51.363 48.513 1023 1HG2 VAL 130 1HG2 VAL 130 62.922 51.597 51.463 1024 2HG2 VAL 130 2HG2 VAL 130 63.038 52.896 50.230 1025 3HG2 VAL 130 3HG2 VAL 130 62.851 51.187 49.687 1026 H PHE 131 H PHE 131 60.387 55.370 49.825 1027 HA PHE 131 HA PHE 131 57.487 54.991 49.045 1028 1HB PHE 131 2HB PHE 131 59.169 57.147 50.367 1029 2HB PHE 131 1HB PHE 131 58.030 57.693 49.019 1030 HD1 PHE 131 HD1 PHE 131 57.634 55.201 51.913 1031 HD2 PHE 131 HD2 PHE 131 56.280 58.709 49.817 1032 HE1 PHE 131 HE1 PHE 131 55.621 55.344 53.477 1033 HE2 PHE 131 HE2 PHE 131 54.351 58.843 51.316 1034 HZ PHE 131 HZ PHE 131 54.057 57.117 53.144 1035 H LYS 132 H LYS 132 56.964 56.740 47.476 1036 HA LYS 132 HA LYS 132 58.939 57.583 45.497 1037 1HB LYS 132 2HB LYS 132 57.555 56.379 43.604 1038 2HB LYS 132 1HB LYS 132 58.534 55.263 44.660 1039 1HG LYS 132 2HG LYS 132 56.674 54.230 45.509 1040 2HG LYS 132 1HG LYS 132 55.692 55.780 45.565 1041 1HD LYS 132 2HD LYS 132 55.154 55.738 43.347 1042 2HD LYS 132 1HD LYS 132 56.497 54.542 42.928 1043 1HE LYS 132 2HE LYS 132 54.717 53.382 44.902 1044 2HE LYS 132 1HE LYS 132 53.632 54.023 43.641 1045 1HZ LYS 132 1HZ LYS 132 54.891 52.786 41.991 1046 2HZ LYS 132 2HZ LYS 132 54.236 51.769 43.124 1047 3HZ LYS 132 3HZ LYS 132 55.884 52.092 43.099 1048 H LYS 133 H LYS 133 57.780 59.064 44.097 1049 HA LYS 133 HA LYS 133 54.926 59.632 45.093 1050 1HB LYS 133 2HB LYS 133 55.541 61.750 46.076 1051 2HB LYS 133 1HB LYS 133 56.804 60.519 46.491 1052 1HG LYS 133 2HG LYS 133 58.126 62.321 45.794 1053 2HG LYS 133 1HG LYS 133 57.839 61.482 44.183 1054 1HD LYS 133 2HD LYS 133 57.507 63.938 43.797 1055 2HD LYS 133 1HD LYS 133 55.892 63.114 43.824 1056 1HE LYS 133 2HE LYS 133 55.282 64.544 45.440 1057 2HE LYS 133 1HE LYS 133 56.471 63.590 46.528 1058 1HZ LYS 133 1HZ LYS 133 57.451 65.765 44.821 1059 2HZ LYS 133 2HZ LYS 133 58.060 65.135 46.235 1060 3HZ LYS 133 3HZ LYS 133 56.714 66.142 46.257 1061 H LYS 134 H LYS 134 53.848 61.346 44.269 1062 HA LYS 134 HA LYS 134 54.835 62.537 41.779 1063 1HB LYS 134 2HB LYS 134 52.611 60.380 41.812 1064 2HB LYS 134 1HB LYS 134 52.526 61.636 40.569 1065 1HG LYS 134 2HG LYS 134 53.860 60.180 39.374 1066 2HG LYS 134 1HG LYS 134 55.216 60.812 40.397 1067 1HD LYS 134 2HD LYS 134 54.340 59.077 42.140 1068 2HD LYS 134 1HD LYS 134 53.642 58.238 40.634 1069 1HE LYS 134 2HE LYS 134 56.510 59.204 40.563 1070 2HE LYS 134 1HE LYS 134 56.054 57.565 41.312 1071 1HZ LYS 134 1HZ LYS 134 56.559 57.463 38.942 1072 2HZ LYS 134 2HZ LYS 134 55.287 58.508 38.559 1073 3HZ LYS 134 3HZ LYS 134 54.947 57.058 39.192 1074 1H2 RTL 135 1H2 RET 135 46.081 51.242 58.228 1075 2H2 RTL 135 2H2 RET 135 46.688 52.201 59.459 1076 1H3 RTL 135 1H3 RET 135 46.485 50.233 60.767 1077 2H3 RTL 135 2H3 RET 135 46.326 49.292 59.387 1078 1H4 RTL 135 1H4 RET 135 48.559 48.760 59.189 1079 2H4 RTL 135 2H4 RET 135 48.458 48.872 60.888 1080 H7 RTL 135 H7 RET 135 51.349 52.045 58.616 1081 H8 RTL 135 H8 RET 135 49.191 54.171 59.335 1082 H10 RTL 135 H10 RET 135 50.133 55.797 57.304 1083 H11 RTL 135 H11 RET 135 52.966 56.390 57.531 1084 H12 RTL 135 H12 RET 135 50.853 58.583 58.190 1085 H14 RTL 135 H14 RET 135 51.868 60.135 56.186 1086 1H15 RTL 135 1H15 RET 135 53.905 61.756 57.523 1087 2H15 RTL 135 2H15 RET 135 53.311 61.874 55.839 1088 HO1 RTL 135 H51 RET 135 54.965 59.810 56.421 1089 1H16 RTL 135 1H16 RET 135 47.514 50.453 56.369 1090 2H16 RTL 135 2H16 RET 135 48.710 49.530 57.299 1091 3H16 RTL 135 3H16 RET 135 49.210 50.868 56.268 1092 1H17 RTL 135 1H17 RET 135 48.049 53.603 57.742 1093 2H17 RTL 135 2H17 RET 135 47.502 52.600 56.404 1094 3H17 RTL 135 3H17 RET 135 49.231 52.778 56.709 1095 1H18 RTL 135 1H18 RET 135 50.216 50.694 61.937 1096 2H18 RTL 135 2H18 RET 135 51.444 50.762 60.723 1097 3H18 RTL 135 3H18 RET 135 50.773 49.189 61.148 1098 1H19 RTL 135 1H19 RET 135 52.046 53.929 60.555 1099 2H19 RTL 135 2H19 RET 135 52.506 55.622 60.353 1100 3H19 RTL 135 3H19 RET 135 53.217 54.335 59.318 1101 1H20 RTL 135 1H20 RET 135 53.764 59.695 59.586 1102 2H20 RTL 135 2H20 RET 135 54.933 59.274 58.354 1103 3H20 RTL 135 3H20 RET 135 53.937 57.982 59.157 Start of MODEL 14 1 1H MET 1 1H MET 1 64.776 73.337 44.141 2 2H MET 1 2H MET 1 65.533 73.847 42.762 3 3H MET 1 3H MET 1 64.119 72.953 42.673 4 HA MET 1 HA MET 1 64.353 75.791 42.730 5 1HB MET 1 2HB MET 1 62.120 73.686 42.543 6 2HB MET 1 1HB MET 1 61.713 75.421 42.838 7 1HG MET 1 2HG MET 1 63.178 76.019 40.811 8 2HG MET 1 1HG MET 1 63.426 74.351 40.468 9 1HE MET 1 1HE MET 1 62.342 76.285 38.458 10 2HE MET 1 2HE MET 1 60.831 75.621 37.736 11 3HE MET 1 3HE MET 1 62.130 74.543 37.998 12 H THR 2 H THR 2 62.462 73.503 44.739 13 HA THR 2 HA THR 2 63.293 74.500 47.296 14 HB THR 2 HB THR 2 60.549 75.389 47.297 15 HG1 THR 2 1HG THR 2 60.913 75.740 45.049 16 1HG2 THR 2 1HG2 THR 2 63.240 77.117 47.196 17 2HG2 THR 2 2HG2 THR 2 62.837 76.079 48.566 18 3HG2 THR 2 3HG2 THR 2 61.786 77.520 48.172 19 H LYS 3 H LYS 3 61.678 74.005 48.995 20 HA LYS 3 HA LYS 3 61.033 71.256 48.731 21 1HB LYS 3 2HB LYS 3 59.731 71.545 50.818 22 2HB LYS 3 1HB LYS 3 61.188 72.606 50.892 23 1HG LYS 3 2HG LYS 3 59.194 74.221 49.625 24 2HG LYS 3 1HG LYS 3 58.322 73.271 50.874 25 1HD LYS 3 2HD LYS 3 60.501 73.906 52.375 26 2HD LYS 3 1HD LYS 3 60.677 75.235 51.165 27 1HE LYS 3 2HE LYS 3 58.011 75.359 51.845 28 2HE LYS 3 1HE LYS 3 58.814 74.828 53.442 29 1HZ LYS 3 1HZ LYS 3 60.274 76.837 53.206 30 2HZ LYS 3 2HZ LYS 3 58.730 77.391 53.014 31 3HZ LYS 3 3HZ LYS 3 59.720 77.117 51.701 32 H ASP 4 H ASP 4 59.025 70.103 48.820 33 HA ASP 4 HA ASP 4 56.619 71.417 47.813 34 1HB ASP 4 2HB ASP 4 58.406 69.833 45.810 35 2HB ASP 4 1HB ASP 4 56.599 69.659 45.770 36 H GLN 5 H GLN 5 55.613 70.447 49.670 37 HA GLN 5 HA GLN 5 56.025 67.484 49.925 38 1HB GLN 5 2HB GLN 5 54.474 69.827 51.317 39 2HB GLN 5 1HB GLN 5 54.374 68.064 51.947 40 1HG GLN 5 2HG GLN 5 56.568 70.088 51.986 41 2HG GLN 5 1HG GLN 5 56.024 68.920 53.317 42 1HE2 GLN 5 1HE2 GLN 5 58.440 69.644 51.180 43 2HE2 GLN 5 2HE2 GLN 5 59.161 68.012 50.993 44 H ASN 6 H ASN 6 53.192 69.544 49.836 45 HA ASN 6 HA ASN 6 51.057 68.297 49.234 46 1HB ASN 6 2HB ASN 6 52.041 70.070 46.830 47 2HB ASN 6 1HB ASN 6 50.368 70.009 47.634 48 1HD2 ASN 6 1HD2 ASN 6 50.668 72.103 47.307 49 2HD2 ASN 6 2HD2 ASN 6 51.361 73.110 48.761 50 H GLY 7 H GLY 7 51.622 66.120 48.826 51 1HA GLY 7 1HA GLY 7 51.194 65.645 45.928 52 2HA GLY 7 2HA GLY 7 52.742 65.026 46.563 53 H THR 8 H THR 8 51.848 63.246 45.678 54 HA THR 8 HA THR 8 50.171 61.623 47.488 55 HB THR 8 HB THR 8 50.162 61.720 44.387 56 HG1 THR 8 1HG THR 8 48.017 61.314 46.157 57 1HG2 THR 8 1HG2 THR 8 48.896 59.459 44.499 58 2HG2 THR 8 2HG2 THR 8 49.128 59.440 46.286 59 3HG2 THR 8 3HG2 THR 8 50.546 59.225 45.173 60 H TRP 9 H TRP 9 50.754 59.479 47.520 61 HA TRP 9 HA TRP 9 53.215 58.498 46.302 62 1HB TRP 9 2HB TRP 9 54.124 58.502 49.053 63 2HB TRP 9 1HB TRP 9 54.891 59.293 47.650 64 HD1 TRP 9 HD1 TRP 9 51.533 60.018 49.528 65 HE1 TRP 9 HE1 TRP 9 51.329 62.392 50.382 66 HE3 TRP 9 HE3 TRP 9 55.983 61.374 48.091 67 HZ2 TRP 9 HZ2 TRP 9 53.027 64.518 50.320 68 HZ3 TRP 9 HZ3 TRP 9 56.783 63.694 48.519 69 HH2 TRP 9 HH2 TRP 9 55.344 65.279 49.616 70 H GLU 10 H GLU 10 51.825 56.726 45.853 71 HA GLU 10 HA GLU 10 50.768 55.093 47.968 72 1HB GLU 10 2HB GLU 10 51.850 54.395 45.100 73 2HB GLU 10 1HB GLU 10 50.943 53.222 46.187 74 1HG GLU 10 2HG GLU 10 49.061 54.917 46.298 75 2HG GLU 10 1HG GLU 10 50.059 55.968 45.148 76 H MET 11 H MET 11 51.896 54.236 49.531 77 HA MET 11 HA MET 11 54.811 53.953 49.659 78 1HB MET 11 2HB MET 11 52.432 52.560 51.106 79 2HB MET 11 1HB MET 11 54.117 51.936 51.247 80 1HG MET 11 2HG MET 11 54.548 54.669 51.671 81 2HG MET 11 1HG MET 11 52.855 54.494 52.187 82 1HE MET 11 1HE MET 11 53.708 54.037 55.765 83 2HE MET 11 2HE MET 11 53.192 55.095 54.396 84 3HE MET 11 3HE MET 11 54.861 55.170 54.945 85 H GLU 12 H GLU 12 56.112 52.375 49.385 86 HA GLU 12 HA GLU 12 55.370 50.218 47.393 87 1HB GLU 12 2HB GLU 12 58.079 51.750 47.751 88 2HB GLU 12 1HB GLU 12 57.805 50.144 46.912 89 1HG GLU 12 2HG GLU 12 56.325 51.102 45.258 90 2HG GLU 12 1HG GLU 12 56.174 52.670 46.269 91 H SER 13 H SER 13 57.617 51.221 50.075 92 HA SER 13 HA SER 13 57.204 48.536 51.378 93 1HB SER 13 2HB SER 13 59.708 49.390 49.832 94 2HB SER 13 1HB SER 13 59.791 48.200 51.280 95 HG SER 13 HG SER 13 59.001 47.920 48.731 96 H ASN 14 H ASN 14 58.691 48.135 52.884 97 HA ASN 14 HA ASN 14 59.910 50.297 54.500 98 1HB ASN 14 2HB ASN 14 58.288 47.980 55.794 99 2HB ASN 14 1HB ASN 14 58.710 49.660 56.505 100 1HD2 ASN 14 1HD2 ASN 14 58.085 51.294 54.639 101 2HD2 ASN 14 2HD2 ASN 14 56.259 51.186 54.238 102 H GLU 15 H GLU 15 61.104 49.433 56.254 103 HA GLU 15 HA GLU 15 62.256 46.800 55.202 104 1HB GLU 15 2HB GLU 15 63.749 49.343 56.275 105 2HB GLU 15 1HB GLU 15 64.547 47.801 55.815 106 1HG GLU 15 2HG GLU 15 63.462 47.748 53.607 107 2HG GLU 15 1HG GLU 15 62.779 49.440 53.997 108 H ASN 16 H ASN 16 60.567 47.934 57.688 109 HA ASN 16 HA ASN 16 61.232 45.663 59.321 110 1HB ASN 16 2HB ASN 16 62.854 47.919 59.911 111 2HB ASN 16 1HB ASN 16 61.482 47.941 61.201 112 1HD2 ASN 16 2HD2 ASN 16 64.070 47.753 61.646 113 2HD2 ASN 16 1HD2 ASN 16 64.418 46.054 62.354 114 H PHE 17 H PHE 17 59.308 45.503 58.536 115 HA PHE 17 HA PHE 17 56.953 47.093 59.134 116 1HB PHE 17 2HB PHE 17 56.782 44.077 59.051 117 2HB PHE 17 1HB PHE 17 55.689 45.375 58.307 118 HD1 PHE 17 HD1 PHE 17 56.373 46.370 56.079 119 HD2 PHE 17 HD2 PHE 17 58.670 43.343 57.982 120 HE1 PHE 17 HE1 PHE 17 57.620 45.963 54.015 121 HE2 PHE 17 HE2 PHE 17 59.948 42.915 55.880 122 HZ PHE 17 HZ PHE 17 59.421 44.264 53.807 123 H GLU 18 H GLU 18 58.722 44.503 60.551 124 HA GLU 18 HA GLU 18 57.081 44.003 62.903 125 1HB GLU 18 2HB GLU 18 58.860 42.345 61.965 126 2HB GLU 18 1HB GLU 18 60.107 43.626 62.132 127 1HG GLU 18 2HG GLU 18 60.472 43.316 64.322 128 2HG GLU 18 1HG GLU 18 58.667 42.798 64.640 129 H GLY 19 H GLY 19 59.509 46.394 62.152 130 1HA GLY 19 1HA GLY 19 60.039 46.820 65.044 131 2HA GLY 19 2HA GLY 19 60.665 47.928 63.739 132 H TYR 20 H TYR 20 57.831 47.922 62.535 133 HA TYR 20 HA TYR 20 56.902 50.337 64.014 134 1HB TYR 20 2HB TYR 20 55.973 48.478 61.731 135 2HB TYR 20 1HB TYR 20 54.699 49.421 62.668 136 HD1 TYR 20 HD1 TYR 20 56.177 51.956 63.088 137 HD2 TYR 20 HD2 TYR 20 55.754 49.291 59.788 138 HE1 TYR 20 HE1 TYR 20 56.483 53.867 61.544 139 HE2 TYR 20 HE2 TYR 20 56.050 51.124 58.161 140 HH TYR 20 HH TYR 20 56.635 53.398 57.979 141 H MET 21 H MET 21 55.932 47.000 63.682 142 HA MET 21 HA MET 21 53.631 46.847 65.399 143 1HB MET 21 2HB MET 21 54.882 45.229 63.690 144 2HB MET 21 1HB MET 21 56.033 44.990 65.055 145 1HG MET 21 2HG MET 21 53.403 44.692 66.156 146 2HG MET 21 1HG MET 21 53.300 43.723 64.695 147 1HE MET 21 1HE MET 21 55.477 44.387 67.977 148 2HE MET 21 2HE MET 21 55.189 42.742 68.672 149 3HE MET 21 3HE MET 21 53.809 43.679 68.242 150 H LYS 22 H LYS 22 56.945 46.817 65.843 151 HA LYS 22 HA LYS 22 56.681 46.239 68.722 152 1HB LYS 22 2HB LYS 22 59.053 46.061 66.794 153 2HB LYS 22 1HB LYS 22 59.467 47.019 68.244 154 1HG LYS 22 2HG LYS 22 58.235 45.200 69.640 155 2HG LYS 22 1HG LYS 22 58.272 44.212 68.103 156 1HD LYS 22 2HD LYS 22 60.295 43.667 69.469 157 2HD LYS 22 1HD LYS 22 60.798 44.563 67.965 158 1HE LYS 22 2HE LYS 22 61.575 46.359 69.089 159 2HE LYS 22 1HE LYS 22 60.145 46.407 70.210 160 1HZ LYS 22 1HZ LYS 22 61.187 44.478 71.362 161 2HZ LYS 22 2HZ LYS 22 62.002 45.947 71.540 162 3HZ LYS 22 3HZ LYS 22 62.634 44.819 70.567 163 H ALA 23 H ALA 23 56.825 48.958 66.812 164 HA ALA 23 HA ALA 23 57.727 50.626 69.030 165 1HB ALA 23 1HB ALA 23 57.989 51.476 66.726 166 2HB ALA 23 2HB ALA 23 56.919 52.623 67.624 167 3HB ALA 23 3HB ALA 23 56.182 51.459 66.425 168 H LEU 24 H LEU 24 55.021 49.184 68.021 169 HA LEU 24 HA LEU 24 53.550 49.268 70.429 170 1HB LEU 24 2HB LEU 24 51.582 50.528 69.883 171 2HB LEU 24 1HB LEU 24 52.962 51.662 69.658 172 HG LEU 24 HG LEU 24 51.538 50.174 67.272 173 1HD1 LEU 24 1HD1 LEU 24 50.943 52.587 68.849 174 2HD1 LEU 24 2HD1 LEU 24 49.849 51.569 67.891 175 3HD1 LEU 24 3HD1 LEU 24 50.909 52.726 67.009 176 1HD2 LEU 24 1HD2 LEU 24 53.858 52.146 67.541 177 2HD2 LEU 24 2HD2 LEU 24 52.645 52.368 66.220 178 3HD2 LEU 24 3HD2 LEU 24 53.599 50.853 66.277 179 H ASP 25 H ASP 25 52.657 47.533 70.523 180 HA ASP 25 HA ASP 25 52.344 45.668 68.274 181 1HB ASP 25 2HB ASP 25 52.071 44.040 69.893 182 2HB ASP 25 1HB ASP 25 53.216 45.232 70.673 183 H ILE 26 H ILE 26 51.039 47.291 67.283 184 HA ILE 26 HA ILE 26 48.316 47.708 68.050 185 HB ILE 26 HB ILE 26 49.283 49.057 66.320 186 1HG1 ILE 26 2HG1 ILE 26 47.527 47.598 64.441 187 2HG1 ILE 26 1HG1 ILE 26 46.863 47.967 66.092 188 1HG2 ILE 26 1HG2 ILE 26 51.021 47.633 65.244 189 2HG2 ILE 26 2HG2 ILE 26 49.789 47.974 64.007 190 3HG2 ILE 26 3HG2 ILE 26 49.746 46.366 64.848 191 1HD1 ILE 26 1HD1 ILE 26 48.275 49.978 64.117 192 2HD1 ILE 26 2HD1 ILE 26 47.749 50.403 65.796 193 3HD1 ILE 26 3HD1 ILE 26 46.522 49.929 64.596 194 H ASP 27 H ASP 27 50.090 45.255 66.446 195 HA ASP 27 HA ASP 27 48.965 42.956 67.138 196 1HB ASP 27 2HB ASP 27 46.686 43.333 66.576 197 2HB ASP 27 1HB ASP 27 47.165 44.222 64.983 198 H PHE 28 H PHE 28 49.657 41.118 65.775 199 HA PHE 28 HA PHE 28 51.883 41.926 64.131 200 1HB PHE 28 2HB PHE 28 52.346 39.871 65.164 201 2HB PHE 28 1HB PHE 28 50.553 39.471 65.216 202 HD1 PHE 28 HD1 PHE 28 49.656 38.095 63.386 203 HD2 PHE 28 HD2 PHE 28 53.651 39.675 63.173 204 HE1 PHE 28 HE1 PHE 28 50.109 36.677 61.337 205 HE2 PHE 28 HE2 PHE 28 54.106 38.319 61.189 206 HZ PHE 28 HZ PHE 28 52.346 36.810 60.236 207 H ALA 29 H ALA 29 48.563 40.902 63.334 208 HA ALA 29 HA ALA 29 49.352 40.268 60.559 209 1HB ALA 29 1HB ALA 29 47.230 39.373 61.964 210 2HB ALA 29 2HB ALA 29 46.893 39.904 60.292 211 3HB ALA 29 3HB ALA 29 46.558 41.080 61.677 212 H THR 30 H THR 30 48.794 43.006 62.318 213 HA THR 30 HA THR 30 47.862 44.792 60.270 214 HB THR 30 HB THR 30 49.417 45.521 62.799 215 HG1 THR 30 1HG THR 30 47.169 44.191 62.490 216 1HG2 THR 30 1HG2 THR 30 48.316 47.020 60.589 217 2HG2 THR 30 2HG2 THR 30 48.596 47.698 62.245 218 3HG2 THR 30 3HG2 THR 30 46.988 46.985 61.852 219 H ARG 31 H ARG 31 50.935 43.765 61.263 220 HA ARG 31 HA ARG 31 52.567 45.567 59.520 221 1HB ARG 31 2HB ARG 31 54.279 43.449 60.597 222 2HB ARG 31 1HB ARG 31 54.291 45.174 60.884 223 1HG ARG 31 2HG ARG 31 52.401 43.100 62.354 224 2HG ARG 31 1HG ARG 31 54.002 43.696 62.885 225 1HD ARG 31 2HD ARG 31 51.269 45.183 62.561 226 2HD ARG 31 1HD ARG 31 52.414 45.270 63.924 227 HE ARG 31 HE ARG 31 54.009 46.381 62.333 228 1HH1 ARG 31 2HH2 ARG 31 50.502 46.685 61.663 229 2HH1 ARG 31 1HH2 ARG 31 50.675 48.162 60.705 230 1HH2 ARG 31 2HH1 ARG 31 54.162 48.225 61.117 231 2HH2 ARG 31 1HH1 ARG 31 52.772 49.050 60.416 232 H LYS 32 H LYS 32 51.246 42.247 59.513 233 HA LYS 32 HA LYS 32 52.744 41.293 57.251 234 1HB LYS 32 2HB LYS 32 51.831 39.709 58.697 235 2HB LYS 32 1HB LYS 32 50.226 40.607 58.745 236 1HG LYS 32 2HG LYS 32 50.112 40.040 56.192 237 2HG LYS 32 1HG LYS 32 51.450 38.897 56.461 238 1HD LYS 32 2HD LYS 32 49.851 37.312 57.164 239 2HD LYS 32 1HD LYS 32 49.666 38.391 58.592 240 1HE LYS 32 2HE LYS 32 47.603 39.259 57.830 241 2HE LYS 32 1HE LYS 32 48.230 39.419 56.156 242 1HZ LYS 32 1HZ LYS 32 46.612 37.770 56.074 243 2HZ LYS 32 2HZ LYS 32 47.259 36.866 57.291 244 3HZ LYS 32 3HZ LYS 32 48.114 37.043 55.885 245 H ILE 33 H ILE 33 49.895 43.089 58.049 246 HA ILE 33 HA ILE 33 48.736 43.052 55.333 247 HB ILE 33 HB ILE 33 48.227 44.597 57.973 248 1HG1 ILE 33 2HG1 ILE 33 46.326 43.420 58.178 249 2HG1 ILE 33 1HG1 ILE 33 45.891 43.752 56.416 250 1HG2 ILE 33 1HG2 ILE 33 47.991 46.416 56.418 251 2HG2 ILE 33 2HG2 ILE 33 46.316 45.835 56.815 252 3HG2 ILE 33 3HG2 ILE 33 47.072 45.409 55.244 253 1HD1 ILE 33 1HD1 ILE 33 46.944 41.712 55.694 254 2HD1 ILE 33 2HD1 ILE 33 46.373 41.215 57.344 255 3HD1 ILE 33 3HD1 ILE 33 48.106 41.695 57.076 256 H ALA 34 H ALA 34 50.717 45.182 57.428 257 HA ALA 34 HA ALA 34 50.704 47.349 55.348 258 1HB ALA 34 1HB ALA 34 51.604 48.572 57.216 259 2HB ALA 34 2HB ALA 34 53.017 47.466 57.109 260 3HB ALA 34 3HB ALA 34 51.582 47.033 58.151 261 H VAL 35 H VAL 35 52.520 44.596 56.241 262 HA VAL 35 HA VAL 35 54.990 44.975 55.125 263 HB VAL 35 HB VAL 35 53.436 42.649 55.951 264 1HG1 VAL 35 1HG1 VAL 35 53.556 41.894 53.531 265 2HG1 VAL 35 2HG1 VAL 35 54.699 40.936 54.518 266 3HG1 VAL 35 3HG1 VAL 35 55.350 42.239 53.510 267 1HG2 VAL 35 1HG2 VAL 35 55.920 41.838 56.332 268 2HG2 VAL 35 2HG2 VAL 35 55.418 43.386 57.132 269 3HG2 VAL 35 3HG2 VAL 35 56.366 43.399 55.556 270 H ARG 36 H ARG 36 52.071 44.351 53.437 271 HA ARG 36 HA ARG 36 53.627 44.537 50.845 272 1HB ARG 36 2HB ARG 36 51.603 43.162 49.836 273 2HB ARG 36 1HB ARG 36 53.097 42.418 50.574 274 1HG ARG 36 2HG ARG 36 50.792 41.329 51.196 275 2HG ARG 36 1HG ARG 36 51.840 41.775 52.631 276 1HD ARG 36 2HD ARG 36 50.360 43.404 53.256 277 2HD ARG 36 1HD ARG 36 49.997 43.880 51.536 278 HE ARG 36 HE ARG 36 48.653 41.689 53.072 279 1HH1 ARG 36 2HH2 ARG 36 48.809 43.449 49.766 280 2HH1 ARG 36 1HH2 ARG 36 47.287 42.653 49.400 281 1HH2 ARG 36 1HH1 ARG 36 46.785 40.896 52.292 282 2HH2 ARG 36 2HH1 ARG 36 46.186 41.308 50.695 283 H LEU 37 H LEU 37 51.103 45.891 52.732 284 HA LEU 37 HA LEU 37 49.613 46.787 50.353 285 1HB LEU 37 2HB LEU 37 49.777 47.512 53.382 286 2HB LEU 37 1HB LEU 37 49.034 48.689 52.163 287 HG LEU 37 HG LEU 37 47.618 46.818 53.489 288 1HD1 LEU 37 1HD1 LEU 37 46.945 47.677 50.560 289 2HD1 LEU 37 2HD1 LEU 37 46.845 48.736 52.053 290 3HD1 LEU 37 3HD1 LEU 37 45.824 47.248 51.944 291 1HD2 LEU 37 1HD2 LEU 37 48.264 45.469 50.727 292 2HD2 LEU 37 2HD2 LEU 37 46.982 45.026 51.924 293 3HD2 LEU 37 3HD2 LEU 37 48.701 44.926 52.433 294 H THR 38 H THR 38 49.541 48.643 49.478 295 HA THR 38 HA THR 38 52.120 50.153 49.477 296 HB THR 38 HB THR 38 50.536 50.771 47.193 297 HG1 THR 38 1HG THR 38 49.003 49.471 47.724 298 1HG2 THR 38 1HG2 THR 38 51.811 48.101 46.845 299 2HG2 THR 38 2HG2 THR 38 52.973 49.253 47.623 300 3HG2 THR 38 3HG2 THR 38 52.201 49.639 46.015 301 H GLN 39 H GLN 39 50.709 50.670 51.646 302 HA GLN 39 HA GLN 39 48.761 52.236 52.069 303 1HB GLN 39 2HB GLN 39 50.885 51.664 53.461 304 2HB GLN 39 1HB GLN 39 51.528 53.283 52.893 305 1HG GLN 39 2HG GLN 39 48.913 53.875 53.419 306 2HG GLN 39 1HG GLN 39 49.247 52.636 54.725 307 1HE2 GLN 39 2HE2 GLN 39 49.340 55.869 53.835 308 2HE2 GLN 39 1HE2 GLN 39 50.584 56.466 54.952 309 H THR 40 H THR 40 47.866 53.363 50.614 310 HA THR 40 HA THR 40 49.204 55.560 49.187 311 HB THR 40 HB THR 40 46.157 55.405 49.393 312 HG1 THR 40 1HG THR 40 47.482 53.383 48.569 313 1HG2 THR 40 1HG2 THR 40 46.545 56.168 46.937 314 2HG2 THR 40 2HG2 THR 40 48.314 56.370 47.419 315 3HG2 THR 40 3HG2 THR 40 46.958 57.348 48.186 316 H LYS 41 H LYS 41 48.748 57.760 49.255 317 HA LYS 41 HA LYS 41 47.305 58.898 51.595 318 1HB LYS 41 2HB LYS 41 49.241 57.755 52.802 319 2HB LYS 41 1HB LYS 41 50.394 58.467 51.593 320 1HG LYS 41 2HG LYS 41 48.688 60.410 53.157 321 2HG LYS 41 1HG LYS 41 49.822 59.332 54.131 322 1HD LYS 41 2HD LYS 41 50.475 61.377 51.867 323 2HD LYS 41 1HD LYS 41 51.050 61.454 53.594 324 1HE LYS 41 2HE LYS 41 52.040 59.529 51.449 325 2HE LYS 41 1HE LYS 41 52.877 60.837 52.399 326 1HZ LYS 41 1HZ LYS 41 53.304 59.217 53.938 327 2HZ LYS 41 2HZ LYS 41 52.534 58.106 52.923 328 3HZ LYS 41 3HZ LYS 41 51.683 58.862 54.113 329 H ILE 42 H ILE 42 47.592 61.239 51.825 330 HA ILE 42 HA ILE 42 49.463 62.410 49.839 331 HB ILE 42 HB ILE 42 47.992 62.002 48.043 332 1HG1 ILE 42 2HG1 ILE 42 46.399 64.240 49.295 333 2HG1 ILE 42 1HG1 ILE 42 48.011 64.590 48.593 334 1HG2 ILE 42 1HG2 ILE 42 46.410 60.613 48.865 335 2HG2 ILE 42 2HG2 ILE 42 45.377 62.009 48.573 336 3HG2 ILE 42 3HG2 ILE 42 45.937 61.611 50.248 337 1HD1 ILE 42 1HD1 ILE 42 45.954 62.892 46.985 338 2HD1 ILE 42 2HD1 ILE 42 47.333 63.818 46.357 339 3HD1 ILE 42 3HD1 ILE 42 45.806 64.661 46.897 340 H ILE 43 H ILE 43 50.189 64.034 50.722 341 HA ILE 43 HA ILE 43 48.911 65.615 52.872 342 HB ILE 43 HB ILE 43 51.384 65.925 51.137 343 1HG1 ILE 43 2HG1 ILE 43 51.320 64.350 53.846 344 2HG1 ILE 43 1HG1 ILE 43 51.212 63.505 52.242 345 1HG2 ILE 43 1HG2 ILE 43 50.730 66.859 53.993 346 2HG2 ILE 43 2HG2 ILE 43 51.309 67.806 52.509 347 3HG2 ILE 43 3HG2 ILE 43 52.463 66.727 53.359 348 1HD1 ILE 43 1HD1 ILE 43 53.467 64.572 53.785 349 2HD1 ILE 43 2HD1 ILE 43 53.473 65.338 52.141 350 3HD1 ILE 43 3HD1 ILE 43 53.546 63.549 52.320 351 H VAL 44 H VAL 44 49.314 67.997 52.742 352 HA VAL 44 HA VAL 44 49.566 69.230 50.039 353 HB VAL 44 HB VAL 44 46.994 68.192 50.802 354 1HG1 VAL 44 1HG1 VAL 44 46.347 70.305 51.854 355 2HG1 VAL 44 2HG1 VAL 44 45.694 70.358 50.146 356 3HG1 VAL 44 3HG1 VAL 44 47.178 71.250 50.524 357 1HG2 VAL 44 1HG2 VAL 44 48.432 68.673 48.444 358 2HG2 VAL 44 2HG2 VAL 44 47.356 70.126 48.525 359 3HG2 VAL 44 3HG2 VAL 44 46.609 68.502 48.384 360 H GLN 45 H GLN 45 50.132 71.390 50.400 361 HA GLN 45 HA GLN 45 48.907 72.872 52.600 362 1HB GLN 45 2HB GLN 45 51.096 73.152 53.810 363 2HB GLN 45 1HB GLN 45 50.471 71.442 53.868 364 1HG GLN 45 2HG GLN 45 52.078 70.805 52.073 365 2HG GLN 45 1HG GLN 45 52.421 72.622 51.756 366 1HE2 GLN 45 1HE2 GLN 45 54.211 73.177 52.480 367 2HE2 GLN 45 2HE2 GLN 45 55.092 72.473 53.973 368 H ASP 46 H ASP 46 50.046 74.697 53.239 369 HA ASP 46 HA ASP 46 51.493 75.989 51.002 370 1HB ASP 46 2HB ASP 46 48.805 76.849 52.243 371 2HB ASP 46 1HB ASP 46 49.955 78.094 51.456 372 H GLY 47 H GLY 47 51.802 75.123 53.964 373 1HA GLY 47 1HA GLY 47 53.761 76.037 55.212 374 2HA GLY 47 2HA GLY 47 53.159 77.720 54.834 375 H ASP 48 H ASP 48 53.573 75.496 57.078 376 HA ASP 48 HA ASP 48 53.024 75.479 59.339 377 1HB ASP 48 2HB ASP 48 52.448 77.485 60.209 378 2HB ASP 48 1HB ASP 48 52.211 78.095 58.470 379 H ASN 49 H ASN 49 50.372 75.275 57.066 380 HA ASN 49 HA ASN 49 49.002 73.423 59.036 381 1HB ASN 49 2HB ASN 49 46.843 74.281 57.523 382 2HB ASN 49 1HB ASN 49 47.487 75.271 58.946 383 1HD2 ASN 49 2HD2 ASN 49 47.392 77.189 58.494 384 2HD2 ASN 49 1HD2 ASN 49 47.971 77.929 56.879 385 H PHE 50 H PHE 50 49.965 71.661 58.118 386 HA PHE 50 HA PHE 50 49.020 70.890 55.400 387 1HB PHE 50 2HB PHE 50 50.994 69.778 55.016 388 2HB PHE 50 1HB PHE 50 51.570 71.056 56.141 389 HD1 PHE 50 HD1 PHE 50 51.919 70.706 58.459 390 HD2 PHE 50 HD2 PHE 50 50.892 67.505 55.833 391 HE1 PHE 50 HE1 PHE 50 52.693 68.985 60.245 392 HE2 PHE 50 HE2 PHE 50 51.637 65.823 57.567 393 HZ PHE 50 HZ PHE 50 52.510 66.636 59.728 394 H LYS 51 H LYS 51 48.192 68.850 54.931 395 HA LYS 51 HA LYS 51 47.599 67.150 57.225 396 1HB LYS 51 2HB LYS 51 45.823 68.637 57.578 397 2HB LYS 51 1HB LYS 51 45.460 68.861 55.789 398 1HG LYS 51 2HG LYS 51 45.266 66.064 57.014 399 2HG LYS 51 1HG LYS 51 43.939 67.291 57.403 400 1HD LYS 51 2HD LYS 51 43.983 67.746 54.884 401 2HD LYS 51 1HD LYS 51 44.849 66.123 54.740 402 1HE LYS 51 2HE LYS 51 42.101 66.887 55.721 403 2HE LYS 51 1HE LYS 51 42.537 65.541 54.504 404 1HZ LYS 51 1HZ LYS 51 43.706 64.551 56.465 405 2HZ LYS 51 2HZ LYS 51 42.050 64.405 56.455 406 3HZ LYS 51 3HZ LYS 51 42.824 65.556 57.453 407 H THR 52 H THR 52 47.422 65.234 56.826 408 HA THR 52 HA THR 52 47.129 64.203 53.984 409 HB THR 52 HB THR 52 49.394 64.126 54.364 410 HG1 THR 52 1HG THR 52 48.243 62.188 54.112 411 1HG2 THR 52 1HG2 THR 52 50.359 63.293 56.771 412 2HG2 THR 52 2HG2 THR 52 48.653 63.589 57.367 413 3HG2 THR 52 3HG2 THR 52 49.657 64.929 56.681 414 H LYS 53 H LYS 53 46.038 62.370 53.769 415 HA LYS 53 HA LYS 53 45.413 60.750 56.246 416 1HB LYS 53 2HB LYS 53 43.170 60.523 54.294 417 2HB LYS 53 1HB LYS 53 43.165 61.121 56.026 418 1HG LYS 53 2HG LYS 53 42.221 62.821 54.810 419 2HG LYS 53 1HG LYS 53 43.981 63.357 54.950 420 1HD LYS 53 2HD LYS 53 44.161 63.500 52.741 421 2HD LYS 53 1HD LYS 53 43.899 61.675 52.691 422 1HE LYS 53 2HE LYS 53 41.370 63.340 52.910 423 2HE LYS 53 1HE LYS 53 42.289 63.368 51.310 424 1HZ LYS 53 1HZ LYS 53 41.440 60.935 52.836 425 2HZ LYS 53 2HZ LYS 53 42.194 60.915 51.363 426 3HZ LYS 53 3HZ LYS 53 40.678 61.583 51.505 427 H THR 54 H THR 54 44.856 58.711 55.837 428 HA THR 54 HA THR 54 46.351 57.642 53.445 429 HB THR 54 HB THR 54 47.084 55.739 54.572 430 HG1 THR 54 1HG THR 54 45.972 55.020 56.164 431 1HG2 THR 54 1HG2 THR 54 48.268 56.932 56.663 432 2HG2 THR 54 2HG2 THR 54 47.436 58.404 56.019 433 3HG2 THR 54 3HG2 THR 54 48.633 57.494 55.003 434 H ASN 55 H ASN 55 45.911 55.496 52.810 435 HA ASN 55 HA ASN 55 43.172 54.438 53.068 436 1HB ASN 55 2HB ASN 55 44.332 55.232 50.346 437 2HB ASN 55 1HB ASN 55 42.640 54.407 50.721 438 1HD2 ASN 55 1HD2 ASN 55 41.316 55.676 52.184 439 2HD2 ASN 55 2HD2 ASN 55 41.415 57.569 51.954 440 H SER 56 H SER 56 44.836 53.266 54.237 441 HA SER 56 HA SER 56 46.123 51.147 52.568 442 1HB SER 56 2HB SER 56 47.674 51.037 54.354 443 2HB SER 56 1HB SER 56 46.840 52.623 54.867 444 HG SER 56 HG SER 56 45.792 51.676 56.336 445 H THR 57 H THR 57 43.194 51.749 53.363 446 HA THR 57 HA THR 57 41.268 50.624 53.714 447 HB THR 57 HB THR 57 43.184 48.404 52.843 448 HG1 THR 57 1HG THR 57 42.158 49.915 51.400 449 1HG2 THR 57 1HG2 THR 57 41.566 47.274 54.476 450 2HG2 THR 57 2HG2 THR 57 40.954 46.980 52.788 451 3HG2 THR 57 3HG2 THR 57 40.196 48.254 53.777 452 H PHE 58 H PHE 58 43.650 48.480 55.051 453 HA PHE 58 HA PHE 58 42.430 47.488 57.293 454 1HB PHE 58 2HB PHE 58 45.058 47.381 56.516 455 2HB PHE 58 1HB PHE 58 45.229 48.550 57.844 456 HD1 PHE 58 HD1 PHE 58 43.359 45.373 57.090 457 HD2 PHE 58 HD2 PHE 58 45.702 47.625 59.939 458 HE1 PHE 58 HE1 PHE 58 43.306 43.440 58.714 459 HE2 PHE 58 HE2 PHE 58 45.619 45.706 61.488 460 HZ PHE 58 HZ PHE 58 44.451 43.629 60.919 461 H ARG 59 H ARG 59 44.510 50.372 57.512 462 HA ARG 59 HA ARG 59 42.551 51.378 59.618 463 1HB ARG 59 2HB ARG 59 45.422 50.648 60.027 464 2HB ARG 59 1HB ARG 59 45.045 52.386 60.470 465 1HG ARG 59 2HG ARG 59 43.502 49.893 61.429 466 2HG ARG 59 1HG ARG 59 44.825 50.815 62.334 467 1HD ARG 59 2HD ARG 59 43.505 52.825 62.496 468 2HD ARG 59 1HD ARG 59 42.271 52.184 61.339 469 HE ARG 59 HE ARG 59 42.622 50.431 63.632 470 1HH1 ARG 59 1HH2 ARG 59 41.106 53.412 62.376 471 2HH1 ARG 59 2HH2 ARG 59 39.746 53.341 63.462 472 1HH2 ARG 59 2HH1 ARG 59 40.725 50.436 65.074 473 2HH2 ARG 59 1HH1 ARG 59 39.513 51.671 64.994 474 H ASN 60 H ASN 60 41.810 53.191 59.202 475 HA ASN 60 HA ASN 60 43.314 54.939 57.338 476 1HB ASN 60 2HB ASN 60 40.729 54.650 57.245 477 2HB ASN 60 1HB ASN 60 40.661 55.534 58.898 478 1HD2 ASN 60 2HD2 ASN 60 40.818 55.782 55.423 479 2HD2 ASN 60 1HD2 ASN 60 40.923 57.525 55.383 480 H TYR 61 H TYR 61 44.866 55.999 58.084 481 HA TYR 61 HA TYR 61 44.668 57.231 60.835 482 1HB TYR 61 2HB TYR 61 46.340 55.314 60.640 483 2HB TYR 61 1HB TYR 61 47.046 56.154 59.149 484 HD1 TYR 61 HD1 TYR 61 49.149 56.604 59.621 485 HD2 TYR 61 HD2 TYR 61 46.055 57.529 62.537 486 HE1 TYR 61 HE1 TYR 61 50.809 57.759 60.986 487 HE2 TYR 61 HE2 TYR 61 47.823 58.687 63.898 488 HH TYR 61 HH TYR 61 49.986 58.935 64.255 489 H ASP 62 H ASP 62 44.922 59.286 60.952 490 HA ASP 62 HA ASP 62 45.837 60.887 58.531 491 1HB ASP 62 2HB ASP 62 43.997 61.641 60.854 492 2HB ASP 62 1HB ASP 62 44.231 62.483 59.151 493 H LEU 63 H LEU 63 47.153 62.565 58.864 494 HA LEU 63 HA LEU 63 48.391 62.746 61.618 495 1HB LEU 63 2HB LEU 63 49.612 62.033 59.202 496 2HB LEU 63 1HB LEU 63 50.027 63.815 59.306 497 HG LEU 63 HG LEU 63 51.835 62.432 60.345 498 1HD1 LEU 63 1HD1 LEU 63 51.860 63.481 62.598 499 2HD1 LEU 63 2HD1 LEU 63 50.095 63.816 62.460 500 3HD1 LEU 63 3HD1 LEU 63 51.285 64.671 61.362 501 1HD2 LEU 63 1HD2 LEU 63 49.728 61.505 62.320 502 2HD2 LEU 63 2HD2 LEU 63 51.373 60.797 62.024 503 3HD2 LEU 63 3HD2 LEU 63 50.086 60.601 60.743 504 H ASP 64 H ASP 64 46.085 64.271 60.706 505 HA ASP 64 HA ASP 64 46.620 66.902 59.912 506 1HB ASP 64 2HB ASP 64 44.842 65.509 61.980 507 2HB ASP 64 1HB ASP 64 44.610 67.342 61.542 508 H PHE 65 H PHE 65 48.052 68.335 60.602 509 HA PHE 65 HA PHE 65 48.171 69.146 63.406 510 1HB PHE 65 2HB PHE 65 49.221 67.109 63.896 511 2HB PHE 65 1HB PHE 65 50.166 67.104 62.377 512 HD1 PHE 65 HD1 PHE 65 52.446 67.335 62.753 513 HD2 PHE 65 HD2 PHE 65 49.578 69.551 65.128 514 HE1 PHE 65 HE1 PHE 65 54.274 68.359 63.885 515 HE2 PHE 65 HE2 PHE 65 51.487 70.634 66.323 516 HZ PHE 65 HZ PHE 65 53.848 70.077 65.743 517 H THR 66 H THR 66 49.441 70.913 63.535 518 HA THR 66 HA THR 66 50.133 72.438 61.069 519 HB THR 66 HB THR 66 51.176 73.738 63.377 520 HG1 THR 66 1HG THR 66 49.702 73.270 64.935 521 1HG2 THR 66 1HG2 THR 66 48.163 73.962 63.136 522 2HG2 THR 66 2HG2 THR 66 48.985 74.172 61.560 523 3HG2 THR 66 3HG2 THR 66 49.419 75.271 62.929 524 H VAL 67 H VAL 67 52.244 73.917 61.547 525 HA VAL 67 HA VAL 67 54.318 71.752 61.550 526 HB VAL 67 HB VAL 67 54.271 74.657 60.626 527 1HG1 VAL 67 1HG1 VAL 67 56.483 72.698 61.099 528 2HG1 VAL 67 2HG1 VAL 67 56.518 74.505 61.219 529 3HG1 VAL 67 3HG1 VAL 67 56.615 73.726 59.553 530 1HG2 VAL 67 1HG2 VAL 67 53.211 72.691 59.287 531 2HG2 VAL 67 2HG2 VAL 67 54.946 72.135 59.012 532 3HG2 VAL 67 3HG2 VAL 67 54.346 73.811 58.445 533 H GLY 68 H GLY 68 54.895 71.276 63.353 534 1HA GLY 68 1HA GLY 68 56.129 71.426 65.417 535 2HA GLY 68 2HA GLY 68 56.791 72.983 64.707 536 H VAL 69 H VAL 69 53.314 72.892 65.146 537 HA VAL 69 HA VAL 69 53.785 74.969 67.218 538 HB VAL 69 HB VAL 69 51.445 73.678 65.626 539 1HG1 VAL 69 1HG1 VAL 69 50.288 74.232 67.562 540 2HG1 VAL 69 2HG1 VAL 69 49.943 75.664 66.529 541 3HG1 VAL 69 3HG1 VAL 69 51.248 75.782 67.796 542 1HG2 VAL 69 1HG2 VAL 69 52.380 76.611 65.509 543 2HG2 VAL 69 2HG2 VAL 69 51.165 75.841 64.465 544 3HG2 VAL 69 3HG2 VAL 69 52.944 75.371 64.305 545 H GLU 70 H GLU 70 53.491 71.838 66.795 546 HA GLU 70 HA GLU 70 53.313 70.132 68.187 547 1HB GLU 70 2HB GLU 70 54.637 71.498 69.742 548 2HB GLU 70 1HB GLU 70 53.064 72.101 70.514 549 1HG GLU 70 2HG GLU 70 53.333 69.133 70.282 550 2HG GLU 70 1HG GLU 70 54.472 69.977 71.493 551 H PHE 71 H PHE 71 51.905 68.779 68.629 552 HA PHE 71 HA PHE 71 49.370 69.603 69.916 553 1HB PHE 71 2HB PHE 71 48.026 70.050 68.299 554 2HB PHE 71 1HB PHE 71 49.336 69.883 67.068 555 HD1 PHE 71 HD1 PHE 71 46.094 68.618 68.059 556 HD2 PHE 71 HD2 PHE 71 49.828 67.454 66.378 557 HE1 PHE 71 HE1 PHE 71 44.979 66.710 67.057 558 HE2 PHE 71 HE2 PHE 71 48.723 65.447 65.320 559 HZ PHE 71 HZ PHE 71 46.293 65.067 65.656 560 H ASP 72 H ASP 72 48.053 68.156 70.654 561 HA ASP 72 HA ASP 72 49.070 65.443 70.903 562 1HB ASP 72 2HB ASP 72 46.626 67.061 71.854 563 2HB ASP 72 1HB ASP 72 46.853 65.318 72.423 564 H GLU 73 H GLU 73 48.796 64.015 69.458 565 HA GLU 73 HA GLU 73 46.426 63.834 67.629 566 1HB GLU 73 2HB GLU 73 48.516 63.691 66.658 567 2HB GLU 73 1HB GLU 73 49.275 62.659 67.948 568 1HG GLU 73 2HG GLU 73 48.879 61.253 66.036 569 2HG GLU 73 1HG GLU 73 47.470 60.869 67.206 570 H HIS 74 H HIS 74 45.319 61.924 67.407 571 HA HIS 74 HA HIS 74 45.231 60.125 69.796 572 1HB HIS 74 2HB HIS 74 43.187 61.885 68.722 573 2HB HIS 74 1HB HIS 74 42.670 60.145 68.460 574 HD1 HIS 74 HD1 HIS 74 41.885 62.465 70.850 575 HD2 HIS 74 HD2 HIS 74 43.968 58.852 71.146 576 HE1 HIS 74 HE1 HIS 74 41.725 61.702 73.327 577 HE2 HIS 74 HE2 HIS 74 43.022 59.480 73.441 578 H THR 75 H THR 75 45.589 58.185 69.458 579 HA THR 75 HA THR 75 45.568 57.067 66.730 580 HB THR 75 HB THR 75 46.712 55.141 68.307 581 HG1 THR 75 1HG THR 75 47.735 57.106 69.755 582 1HG2 THR 75 1HG2 THR 75 48.887 56.358 67.744 583 2HG2 THR 75 2HG2 THR 75 48.054 57.984 67.886 584 3HG2 THR 75 3HG2 THR 75 47.733 56.898 66.480 585 H LYS 76 H LYS 76 43.333 57.573 68.666 586 HA LYS 76 HA LYS 76 42.450 55.004 69.689 587 1HB LYS 76 2HB LYS 76 41.193 57.721 69.134 588 2HB LYS 76 1HB LYS 76 40.056 56.286 69.256 589 1HG LYS 76 2HG LYS 76 41.664 55.758 71.401 590 2HG LYS 76 1HG LYS 76 41.785 57.585 71.335 591 1HD LYS 76 2HD LYS 76 39.080 56.187 71.291 592 2HD LYS 76 1HD LYS 76 39.935 56.648 72.848 593 1HE LYS 76 2HE LYS 76 40.266 58.935 71.427 594 2HE LYS 76 1HE LYS 76 38.788 58.299 70.542 595 1HZ LYS 76 1HZ LYS 76 37.629 58.117 72.623 596 2HZ LYS 76 2HZ LYS 76 38.032 59.709 72.363 597 3HZ LYS 76 3HZ LYS 76 38.830 58.835 73.510 598 H GLY 77 H GLY 77 42.879 53.531 68.446 599 1HA GLY 77 1HA GLY 77 41.090 52.065 67.253 600 2HA GLY 77 2HA GLY 77 41.404 53.180 65.847 601 H LEU 78 H LEU 78 44.061 53.706 66.662 602 HA LEU 78 HA LEU 78 45.478 51.458 65.298 603 1HB LEU 78 2HB LEU 78 45.910 54.437 65.753 604 2HB LEU 78 1HB LEU 78 47.335 53.412 65.367 605 HG LEU 78 HG LEU 78 45.147 52.699 63.616 606 1HD1 LEU 78 1HD1 LEU 78 45.565 55.746 63.983 607 2HD1 LEU 78 2HD1 LEU 78 44.030 54.784 63.909 608 3HD1 LEU 78 3HD1 LEU 78 45.037 55.038 62.420 609 1HD2 LEU 78 1HD2 LEU 78 47.584 54.409 62.774 610 2HD2 LEU 78 2HD2 LEU 78 46.790 53.083 61.858 611 3HD2 LEU 78 3HD2 LEU 78 47.800 52.676 63.277 612 H ASP 79 H ASP 79 44.635 51.070 67.915 613 HA ASP 79 HA ASP 79 45.277 50.577 70.024 614 1HB ASP 79 2HB ASP 79 47.263 49.392 68.082 615 2HB ASP 79 1HB ASP 79 47.380 49.003 69.906 616 H GLY 80 H GLY 80 46.047 53.258 69.476 617 1HA GLY 80 1HA GLY 80 48.720 53.339 70.827 618 2HA GLY 80 2HA GLY 80 48.111 54.634 69.658 619 H ARG 81 H ARG 81 45.608 54.853 70.668 620 HA ARG 81 HA ARG 81 44.273 55.827 72.196 621 1HB ARG 81 2HB ARG 81 46.184 54.752 74.391 622 2HB ARG 81 1HB ARG 81 44.554 55.518 74.638 623 1HG ARG 81 2HG ARG 81 43.748 53.441 74.477 624 2HG ARG 81 1HG ARG 81 43.914 53.716 72.696 625 1HD ARG 81 2HD ARG 81 46.271 52.631 72.945 626 2HD ARG 81 1HD ARG 81 45.767 52.161 74.644 627 HE ARG 81 HE ARG 81 43.960 51.359 72.467 628 1HH1 ARG 81 1HH2 ARG 81 46.681 50.474 74.667 629 2HH1 ARG 81 2HH2 ARG 81 46.410 48.731 74.472 630 1HH2 ARG 81 2HH1 ARG 81 43.679 49.052 72.270 631 2HH2 ARG 81 1HH1 ARG 81 44.725 47.945 73.132 632 H ASN 82 H ASN 82 47.708 56.926 72.120 633 HA ASN 82 HA ASN 82 46.717 59.548 72.234 634 1HB ASN 82 2HB ASN 82 46.293 59.785 74.556 635 2HB ASN 82 1HB ASN 82 47.503 58.386 74.956 636 1HD2 ASN 82 1HD2 ASN 82 49.566 58.749 75.239 637 2HD2 ASN 82 2HD2 ASN 82 50.240 60.358 75.290 638 H VAL 83 H VAL 83 48.141 60.988 71.697 639 HA VAL 83 HA VAL 83 50.997 60.642 72.150 640 HB VAL 83 HB VAL 83 51.374 60.688 69.520 641 1HG1 VAL 83 1HG1 VAL 83 52.447 58.740 69.943 642 2HG1 VAL 83 2HG1 VAL 83 50.890 57.848 70.110 643 3HG1 VAL 83 3HG1 VAL 83 51.661 58.690 71.540 644 1HG2 VAL 83 1HG2 VAL 83 49.916 59.237 68.284 645 2HG2 VAL 83 2HG2 VAL 83 48.833 60.441 69.052 646 3HG2 VAL 83 3HG2 VAL 83 48.969 58.756 69.799 647 H LYS 84 H LYS 84 52.274 62.148 71.099 648 HA LYS 84 HA LYS 84 50.926 64.774 70.396 649 1HB LYS 84 2HB LYS 84 53.262 64.246 72.239 650 2HB LYS 84 1HB LYS 84 52.867 65.904 71.543 651 1HG LYS 84 2HG LYS 84 51.682 65.943 73.590 652 2HG LYS 84 1HG LYS 84 50.411 65.248 72.440 653 1HD LYS 84 2HD LYS 84 50.284 63.717 74.228 654 2HD LYS 84 1HD LYS 84 51.558 62.901 73.241 655 1HE LYS 84 2HE LYS 84 52.483 62.961 75.469 656 2HE LYS 84 1HE LYS 84 53.235 64.444 74.661 657 1HZ LYS 84 1HZ LYS 84 51.101 65.607 75.592 658 2HZ LYS 84 2HZ LYS 84 52.296 65.214 76.673 659 3HZ LYS 84 3HZ LYS 84 50.941 64.268 76.542 660 H THR 85 H THR 85 51.261 65.281 68.464 661 HA THR 85 HA THR 85 53.720 64.466 67.021 662 HB THR 85 HB THR 85 51.109 65.798 66.295 663 HG1 THR 85 1HG THR 85 50.549 63.846 65.906 664 1HG2 THR 85 1HG2 THR 85 53.213 64.367 64.455 665 2HG2 THR 85 2HG2 THR 85 53.309 66.115 64.707 666 3HG2 THR 85 3HG2 THR 85 51.826 65.369 63.868 667 H LEU 86 H LEU 86 55.186 65.621 66.314 668 HA LEU 86 HA LEU 86 55.017 68.552 66.410 669 1HB LEU 86 2HB LEU 86 55.921 67.997 68.743 670 2HB LEU 86 1HB LEU 86 57.268 67.064 67.865 671 HG LEU 86 HG LEU 86 56.944 69.956 67.019 672 1HD1 LEU 86 1HD1 LEU 86 56.541 70.066 69.445 673 2HD1 LEU 86 2HD1 LEU 86 58.277 70.544 69.196 674 3HD1 LEU 86 3HD1 LEU 86 57.926 68.894 69.769 675 1HD2 LEU 86 1HD2 LEU 86 58.895 68.511 66.222 676 2HD2 LEU 86 2HD2 LEU 86 59.106 67.995 67.978 677 3HD2 LEU 86 3HD2 LEU 86 59.462 69.700 67.455 678 H VAL 87 H VAL 87 55.740 69.296 64.658 679 HA VAL 87 HA VAL 87 57.772 67.801 63.116 680 HB VAL 87 HB VAL 87 55.289 69.417 62.438 681 1HG1 VAL 87 1HG1 VAL 87 56.156 69.907 60.139 682 2HG1 VAL 87 2HG1 VAL 87 57.800 69.410 60.705 683 3HG1 VAL 87 3HG1 VAL 87 56.975 70.854 61.457 684 1HG2 VAL 87 1HG2 VAL 87 55.484 66.866 62.102 685 2HG2 VAL 87 2HG2 VAL 87 56.833 67.225 60.956 686 3HG2 VAL 87 3HG2 VAL 87 55.119 67.793 60.618 687 H THR 88 H THR 88 59.416 68.742 62.113 688 HA THR 88 HA THR 88 60.095 71.608 62.644 689 HB THR 88 HB THR 88 61.636 69.077 63.469 690 HG1 THR 88 1HG THR 88 60.858 71.171 65.092 691 1HG2 THR 88 1HG2 THR 88 63.037 71.017 64.613 692 2HG2 THR 88 2HG2 THR 88 62.366 72.139 63.400 693 3HG2 THR 88 3HG2 THR 88 63.353 70.718 62.839 694 H TRP 89 H TRP 89 60.431 72.284 60.678 695 HA TRP 89 HA TRP 89 61.340 70.715 58.334 696 1HB TRP 89 2HB TRP 89 61.508 73.727 58.986 697 2HB TRP 89 1HB TRP 89 62.225 73.077 57.488 698 HD1 TRP 89 HD1 TRP 89 58.815 73.608 59.343 699 HE1 TRP 89 HE1 TRP 89 57.059 73.284 57.493 700 HE3 TRP 89 HE3 TRP 89 61.785 72.039 55.617 701 HZ2 TRP 89 HZ2 TRP 89 56.980 72.402 54.626 702 HZ3 TRP 89 HZ3 TRP 89 60.978 71.492 53.457 703 HH2 TRP 89 HH2 TRP 89 58.619 71.668 52.979 704 H GLU 90 H GLU 90 63.313 70.063 57.680 705 HA GLU 90 HA GLU 90 65.520 71.086 59.501 706 1HB GLU 90 2HB GLU 90 64.382 68.866 60.042 707 2HB GLU 90 1HB GLU 90 65.271 68.217 58.583 708 1HG GLU 90 2HG GLU 90 67.232 68.088 59.946 709 2HG GLU 90 1HG GLU 90 66.969 69.906 60.408 710 H GLY 91 H GLY 91 64.622 71.450 56.679 711 1HA GLY 91 1HA GLY 91 66.174 72.357 54.995 712 2HA GLY 91 2HA GLY 91 67.297 70.895 55.277 713 H ASN 92 H ASN 92 64.364 72.172 54.213 714 HA ASN 92 HA ASN 92 62.719 71.636 52.693 715 1HB ASN 92 2HB ASN 92 65.162 70.049 51.543 716 2HB ASN 92 1HB ASN 92 63.492 69.982 50.765 717 1HD2 ASN 92 1HD2 ASN 92 63.846 70.971 49.062 718 2HD2 ASN 92 2HD2 ASN 92 64.295 72.682 48.905 719 H THR 93 H THR 93 63.114 70.115 55.145 720 HA THR 93 HA THR 93 61.774 67.489 54.531 721 HB THR 93 HB THR 93 63.360 68.005 57.052 722 HG1 THR 93 1HG THR 93 64.252 67.882 54.460 723 1HG2 THR 93 1HG2 THR 93 64.090 65.505 55.993 724 2HG2 THR 93 2HG2 THR 93 62.453 65.648 55.238 725 3HG2 THR 93 3HG2 THR 93 62.574 65.676 57.020 726 H LEU 94 H LEU 94 61.503 67.246 57.569 727 HA LEU 94 HA LEU 94 59.960 69.027 58.778 728 1HB LEU 94 2HB LEU 94 57.503 68.271 58.282 729 2HB LEU 94 1HB LEU 94 58.300 69.286 57.001 730 HG LEU 94 HG LEU 94 59.096 66.851 56.205 731 1HD1 LEU 94 1HD1 LEU 94 57.827 65.294 57.488 732 2HD1 LEU 94 2HD1 LEU 94 56.622 65.630 56.190 733 3HD1 LEU 94 3HD1 LEU 94 56.478 66.499 57.814 734 1HD2 LEU 94 1HD2 LEU 94 56.294 67.537 55.392 735 2HD2 LEU 94 2HD2 LEU 94 57.701 67.197 54.338 736 3HD2 LEU 94 3HD2 LEU 94 57.509 68.835 55.170 737 H VAL 95 H VAL 95 61.634 67.262 59.480 738 HA VAL 95 HA VAL 95 61.011 64.748 60.164 739 HB VAL 95 HB VAL 95 62.314 67.029 61.785 740 1HG1 VAL 95 1HG1 VAL 95 62.279 64.093 62.477 741 2HG1 VAL 95 2HG1 VAL 95 62.181 65.577 63.528 742 3HG1 VAL 95 3HG1 VAL 95 63.757 65.076 62.794 743 1HG2 VAL 95 1HG2 VAL 95 63.759 66.869 60.025 744 2HG2 VAL 95 2HG2 VAL 95 63.177 65.193 59.561 745 3HG2 VAL 95 3HG2 VAL 95 64.418 65.421 60.903 746 H CYS 96 H CYS 96 59.341 63.927 61.268 747 HA CYS 96 HA CYS 96 58.089 65.478 63.455 748 1HB CYS 96 2HB CYS 96 56.979 62.751 62.570 749 2HB CYS 96 1HB CYS 96 56.018 64.119 63.206 750 HG CYS 96 HG CYS 96 55.406 64.854 60.929 751 H VAL 97 H VAL 97 57.392 64.246 65.259 752 HA VAL 97 HA VAL 97 58.733 61.813 66.068 753 HB VAL 97 HB VAL 97 59.312 63.775 68.147 754 1HG1 VAL 97 1HG1 VAL 97 61.681 63.071 67.673 755 2HG1 VAL 97 2HG1 VAL 97 61.153 62.283 66.080 756 3HG1 VAL 97 3HG1 VAL 97 60.633 61.598 67.635 757 1HG2 VAL 97 1HG2 VAL 97 60.445 64.580 65.418 758 2HG2 VAL 97 2HG2 VAL 97 60.807 65.265 67.043 759 3HG2 VAL 97 3HG2 VAL 97 59.134 65.452 66.321 760 H GLN 98 H GLN 98 57.143 60.809 66.923 761 HA GLN 98 HA GLN 98 54.899 62.132 68.389 762 1HB GLN 98 2HB GLN 98 55.303 59.606 66.959 763 2HB GLN 98 1HB GLN 98 54.836 59.245 68.714 764 1HG GLN 98 2HG GLN 98 52.688 59.762 68.301 765 2HG GLN 98 1HG GLN 98 53.184 61.434 67.748 766 1HE2 GLN 98 1HE2 GLN 98 51.919 58.405 66.989 767 2HE2 GLN 98 2HE2 GLN 98 51.846 58.613 65.211 768 H LYS 99 H LYS 99 54.244 61.755 70.345 769 HA LYS 99 HA LYS 99 56.466 60.642 72.148 770 1HB LYS 99 2HB LYS 99 54.915 63.166 72.235 771 2HB LYS 99 1HB LYS 99 55.295 62.365 73.819 772 1HG LYS 99 2HG LYS 99 56.970 64.192 72.965 773 2HG LYS 99 1HG LYS 99 57.710 62.645 73.431 774 1HD LYS 99 2HD LYS 99 58.212 62.130 71.188 775 2HD LYS 99 1HD LYS 99 56.783 63.128 70.539 776 1HE LYS 99 2HE LYS 99 59.159 64.019 70.117 777 2HE LYS 99 1HE LYS 99 57.862 65.117 70.701 778 1HZ LYS 99 1HZ LYS 99 60.388 64.509 71.923 779 2HZ LYS 99 2HZ LYS 99 59.232 63.979 72.968 780 3HZ LYS 99 3HZ LYS 99 59.183 65.579 72.418 781 H GLY 100 H GLY 100 55.548 60.288 74.313 782 1HA GLY 100 1HA GLY 100 53.479 59.800 75.743 783 2HA GLY 100 2HA GLY 100 52.650 59.168 74.287 784 H GLU 101 H GLU 101 53.502 57.505 73.246 785 HA GLU 101 HA GLU 101 54.802 55.429 74.995 786 1HB GLU 101 2HB GLU 101 52.278 55.399 73.268 787 2HB GLU 101 1HB GLU 101 53.415 54.103 72.856 788 1HG GLU 101 2HG GLU 101 53.286 53.163 75.082 789 2HG GLU 101 1HG GLU 101 52.715 54.795 75.778 790 H LYS 102 H LYS 102 55.288 57.418 72.461 791 HA LYS 102 HA LYS 102 56.957 55.442 70.876 792 1HB LYS 102 2HB LYS 102 55.545 58.148 70.324 793 2HB LYS 102 1HB LYS 102 57.006 57.570 69.346 794 1HG LYS 102 2HG LYS 102 55.110 56.845 68.109 795 2HG LYS 102 1HG LYS 102 55.774 55.403 68.992 796 1HD LYS 102 2HD LYS 102 53.969 55.998 70.864 797 2HD LYS 102 1HD LYS 102 53.187 56.980 69.529 798 1HE LYS 102 2HE LYS 102 54.008 54.116 68.907 799 2HE LYS 102 1HE LYS 102 52.533 54.483 69.920 800 1HZ LYS 102 1HZ LYS 102 53.003 54.758 67.098 801 2HZ LYS 102 2HZ LYS 102 52.500 56.184 67.762 802 3HZ LYS 102 3HZ LYS 102 51.548 54.858 67.901 803 H GLU 103 H GLU 103 57.024 58.919 71.492 804 HA GLU 103 HA GLU 103 58.593 60.393 71.868 805 1HB GLU 103 2HB GLU 103 60.247 58.413 73.492 806 2HB GLU 103 1HB GLU 103 59.903 60.157 73.867 807 1HG GLU 103 2HG GLU 103 57.397 59.392 74.027 808 2HG GLU 103 1HG GLU 103 58.157 57.699 74.279 809 H ASN 104 H ASN 104 59.056 58.400 69.752 810 HA ASN 104 HA ASN 104 61.466 59.519 68.779 811 1HB ASN 104 2HB ASN 104 62.342 57.878 70.628 812 2HB ASN 104 1HB ASN 104 61.691 56.512 69.548 813 1HD2 ASN 104 2HD2 ASN 104 63.468 55.619 69.096 814 2HD2 ASN 104 1HD2 ASN 104 64.851 56.503 68.101 815 H ARG 105 H ARG 105 58.776 59.135 67.897 816 HA ARG 105 HA ARG 105 59.109 57.026 65.798 817 1HB ARG 105 2HB ARG 105 57.143 56.379 67.388 818 2HB ARG 105 1HB ARG 105 56.444 57.993 66.960 819 1HG ARG 105 2HG ARG 105 56.440 57.334 64.544 820 2HG ARG 105 1HG ARG 105 57.055 55.692 65.006 821 1HD ARG 105 2HD ARG 105 55.243 55.181 66.465 822 2HD ARG 105 1HD ARG 105 54.452 56.799 66.186 823 HE ARG 105 HE ARG 105 54.592 54.397 64.424 824 1HH1 ARG 105 1HH1 ARG 105 53.913 57.886 64.659 825 2HH1 ARG 105 2HH1 ARG 105 52.932 57.959 63.210 826 1HH2 ARG 105 1HH2 ARG 105 53.200 54.566 62.382 827 2HH2 ARG 105 2HH2 ARG 105 52.557 56.096 61.953 828 H GLY 106 H GLY 106 60.026 58.274 64.575 829 1HA GLY 106 1HA GLY 106 58.409 60.557 63.360 830 2HA GLY 106 2HA GLY 106 60.216 60.546 63.577 831 H TRP 107 H TRP 107 59.002 61.252 61.417 832 HA TRP 107 HA TRP 107 60.133 59.276 59.548 833 1HB TRP 107 2HB TRP 107 57.969 60.212 57.944 834 2HB TRP 107 1HB TRP 107 58.141 58.599 58.702 835 HD1 TRP 107 HD1 TRP 107 57.231 58.605 61.442 836 HE1 TRP 107 HE1 TRP 107 55.200 59.751 62.477 837 HE3 TRP 107 HE3 TRP 107 56.685 61.902 57.777 838 HZ2 TRP 107 HZ2 TRP 107 53.597 61.924 61.644 839 HZ3 TRP 107 HZ3 TRP 107 54.868 63.550 57.891 840 HH2 TRP 107 HH2 TRP 107 53.389 63.534 59.796 841 H LYS 108 H LYS 108 61.788 60.157 58.876 842 HA LYS 108 HA LYS 108 61.861 62.997 57.987 843 1HB LYS 108 2HB LYS 108 63.986 60.700 57.755 844 2HB LYS 108 1HB LYS 108 64.323 62.470 57.522 845 1HG LYS 108 2HG LYS 108 64.047 63.025 59.763 846 2HG LYS 108 1HG LYS 108 63.032 61.538 60.127 847 1HD LYS 108 2HD LYS 108 64.844 60.160 60.601 848 2HD LYS 108 1HD LYS 108 65.813 60.906 59.272 849 1HE LYS 108 2HE LYS 108 66.797 62.399 60.719 850 2HE LYS 108 1HE LYS 108 65.193 62.773 61.480 851 1HZ LYS 108 1HZ LYS 108 65.379 61.041 62.938 852 2HZ LYS 108 2HZ LYS 108 66.943 61.533 62.884 853 3HZ LYS 108 3HZ LYS 108 66.455 60.130 62.032 854 H GLN 109 H GLN 109 60.334 62.729 56.593 855 HA GLN 109 HA GLN 109 61.054 61.425 53.913 856 1HB GLN 109 2HB GLN 109 58.687 61.435 54.915 857 2HB GLN 109 1HB GLN 109 58.632 63.223 54.636 858 1HG GLN 109 2HG GLN 109 58.137 62.749 52.409 859 2HG GLN 109 1HG GLN 109 59.584 61.525 52.297 860 1HE2 GLN 109 2HE2 GLN 109 56.719 62.117 54.137 861 2HE2 GLN 109 1HE2 GLN 109 55.921 60.447 53.849 862 H TRP 110 H TRP 110 62.746 62.881 52.929 863 HA TRP 110 HA TRP 110 62.076 65.834 53.220 864 1HB TRP 110 2HB TRP 110 64.271 66.271 53.131 865 2HB TRP 110 1HB TRP 110 64.124 64.723 54.160 866 HD1 TRP 110 HD1 TRP 110 65.248 65.921 50.717 867 HE1 TRP 110 HE1 TRP 110 66.724 63.962 49.752 868 HE3 TRP 110 HE3 TRP 110 64.451 62.650 54.318 869 HZ2 TRP 110 HZ2 TRP 110 67.367 61.256 50.655 870 HZ3 TRP 110 HZ3 TRP 110 65.449 60.418 54.348 871 HH2 TRP 110 HH2 TRP 110 66.877 59.757 52.558 872 H VAL 111 H VAL 111 61.513 63.487 51.069 873 HA VAL 111 HA VAL 111 60.868 63.456 48.761 874 HB VAL 111 HB VAL 111 60.744 66.407 49.493 875 1HG1 VAL 111 1HG1 VAL 111 59.093 66.385 47.316 876 2HG1 VAL 111 2HG1 VAL 111 60.341 65.097 46.816 877 3HG1 VAL 111 3HG1 VAL 111 60.827 66.728 47.257 878 1HG2 VAL 111 1HG2 VAL 111 58.141 65.847 49.354 879 2HG2 VAL 111 2HG2 VAL 111 59.119 65.134 50.727 880 3HG2 VAL 111 3HG2 VAL 111 58.688 64.114 49.303 881 H GLU 112 H GLU 112 62.011 62.997 47.212 882 HA GLU 112 HA GLU 112 64.163 64.894 46.309 883 1HB GLU 112 2HB GLU 112 64.176 61.926 46.683 884 2HB GLU 112 1HB GLU 112 65.192 62.613 45.351 885 1HG GLU 112 2HG GLU 112 65.312 64.041 48.012 886 2HG GLU 112 1HG GLU 112 65.997 62.307 47.939 887 H GLY 113 H GLY 113 61.213 63.667 45.604 888 1HA GLY 113 1HA GLY 113 59.918 64.146 43.645 889 2HA GLY 113 2HA GLY 113 61.391 64.435 42.675 890 H ASP 114 H ASP 114 58.825 62.456 43.378 891 HA ASP 114 HA ASP 114 58.135 60.333 42.738 892 1HB ASP 114 2HB ASP 114 60.109 60.673 40.351 893 2HB ASP 114 1HB ASP 114 58.462 59.786 40.457 894 H LYS 115 H LYS 115 60.542 60.492 44.462 895 HA LYS 115 HA LYS 115 61.048 57.747 44.876 896 1HB LYS 115 2HB LYS 115 62.394 58.270 42.495 897 2HB LYS 115 1HB LYS 115 63.655 58.764 43.713 898 1HG LYS 115 2HG LYS 115 64.125 56.487 43.611 899 2HG LYS 115 1HG LYS 115 62.903 56.584 44.947 900 1HD LYS 115 2HD LYS 115 61.359 56.436 42.560 901 2HD LYS 115 1HD LYS 115 62.693 55.268 42.231 902 1HE LYS 115 2HE LYS 115 60.893 55.472 44.797 903 2HE LYS 115 1HE LYS 115 60.725 54.240 43.494 904 1HZ LYS 115 1HZ LYS 115 61.959 53.104 44.882 905 2HZ LYS 115 2HZ LYS 115 62.833 54.370 45.566 906 3HZ LYS 115 3HZ LYS 115 63.247 53.765 44.083 907 H LEU 116 H LEU 116 60.893 58.291 46.966 908 HA LEU 116 HA LEU 116 63.191 60.065 47.897 909 1HB LEU 116 2HB LEU 116 61.530 60.582 49.867 910 2HB LEU 116 1HB LEU 116 61.445 61.575 48.351 911 HG LEU 116 HG LEU 116 59.830 59.068 48.446 912 1HD1 LEU 116 1HD1 LEU 116 57.905 60.580 49.645 913 2HD1 LEU 116 2HD1 LEU 116 59.294 61.627 50.084 914 3HD1 LEU 116 3HD1 LEU 116 59.241 59.889 50.653 915 1HD2 LEU 116 1HD2 LEU 116 58.808 61.798 47.616 916 2HD2 LEU 116 2HD2 LEU 116 58.538 60.200 46.735 917 3HD2 LEU 116 3HD2 LEU 116 60.116 61.101 46.651 918 H TYR 117 H TYR 117 63.518 59.955 50.317 919 HA TYR 117 HA TYR 117 63.309 57.035 50.963 920 1HB TYR 117 2HB TYR 117 65.762 58.751 50.495 921 2HB TYR 117 1HB TYR 117 65.769 57.779 52.040 922 HD1 TYR 117 HD1 TYR 117 67.571 57.430 49.418 923 HD2 TYR 117 HD2 TYR 117 64.120 55.270 50.795 924 HE1 TYR 117 HE1 TYR 117 68.264 55.491 48.186 925 HE2 TYR 117 HE2 TYR 117 64.827 53.372 49.578 926 HH TYR 117 HH TYR 117 67.808 52.827 48.552 927 H LEU 118 H LEU 118 61.625 57.501 51.947 928 HA LEU 118 HA LEU 118 61.687 59.149 54.402 929 1HB LEU 118 2HB LEU 118 59.635 58.733 53.265 930 2HB LEU 118 1HB LEU 118 59.738 56.942 53.420 931 HG LEU 118 HG LEU 118 59.528 57.231 55.992 932 1HD1 LEU 118 1HD1 LEU 118 60.092 59.983 55.165 933 2HD1 LEU 118 2HD1 LEU 118 60.137 59.243 56.834 934 3HD1 LEU 118 3HD1 LEU 118 58.609 59.913 56.123 935 1HD2 LEU 118 1HD2 LEU 118 57.219 57.232 55.830 936 2HD2 LEU 118 2HD2 LEU 118 57.563 57.592 54.036 937 3HD2 LEU 118 3HD2 LEU 118 57.264 58.924 55.220 938 H GLU 119 H GLU 119 62.630 58.801 56.186 939 HA GLU 119 HA GLU 119 63.689 56.084 56.790 940 1HB GLU 119 2HB GLU 119 64.707 58.729 58.053 941 2HB GLU 119 1HB GLU 119 65.334 57.028 58.102 942 1HG GLU 119 2HG GLU 119 64.978 57.731 55.301 943 2HG GLU 119 1HG GLU 119 65.891 59.075 56.131 944 H LEU 120 H LEU 120 62.699 54.954 58.279 945 HA LEU 120 HA LEU 120 61.044 56.574 60.216 946 1HB LEU 120 2HB LEU 120 60.713 54.036 58.890 947 2HB LEU 120 1HB LEU 120 60.199 53.963 60.625 948 HG LEU 120 HG LEU 120 58.535 54.662 58.745 949 1HD1 LEU 120 1HD1 LEU 120 58.049 57.018 60.360 950 2HD1 LEU 120 2HD1 LEU 120 59.055 55.886 61.408 951 3HD1 LEU 120 3HD1 LEU 120 57.440 55.366 60.837 952 1HD2 LEU 120 1HD2 LEU 120 58.462 56.879 57.853 953 2HD2 LEU 120 2HD2 LEU 120 60.098 56.287 57.606 954 3HD2 LEU 120 3HD2 LEU 120 59.790 57.446 58.982 955 H THR 121 H THR 121 61.534 56.603 62.146 956 HA THR 121 HA THR 121 63.781 54.860 63.281 957 HB THR 121 HB THR 121 64.140 56.831 64.903 958 HG1 THR 121 1HG THR 121 62.702 58.425 63.136 959 1HG2 THR 121 1HG2 THR 121 65.413 58.154 63.087 960 2HG2 THR 121 2HG2 THR 121 64.262 57.640 61.842 961 3HG2 THR 121 3HG2 THR 121 65.457 56.428 62.481 962 H CYS 122 H CYS 122 60.705 54.431 63.239 963 HA CYS 122 HA CYS 122 59.715 54.794 65.886 964 1HB CYS 122 2HB CYS 122 58.209 52.949 65.174 965 2HB CYS 122 1HB CYS 122 58.369 54.056 63.790 966 HG CYS 122 HG CYS 122 58.366 51.310 63.306 967 H GLY 123 H GLY 123 59.154 53.228 67.333 968 1HA GLY 123 1HA GLY 123 59.747 51.541 68.971 969 2HA GLY 123 2HA GLY 123 60.433 50.706 67.555 970 H ASP 124 H ASP 124 62.187 49.961 68.653 971 HA ASP 124 HA ASP 124 64.178 51.927 69.791 972 1HB ASP 124 2HB ASP 124 63.516 49.692 71.035 973 2HB ASP 124 1HB ASP 124 64.324 48.783 69.657 974 H GLN 125 H GLN 125 63.779 49.109 67.671 975 HA GLN 125 HA GLN 125 66.403 49.712 66.425 976 1HB GLN 125 2HB GLN 125 66.059 47.650 65.127 977 2HB GLN 125 1HB GLN 125 65.522 47.290 66.820 978 1HG GLN 125 2HG GLN 125 63.141 47.487 66.218 979 2HG GLN 125 1HG GLN 125 63.687 48.040 64.557 980 1HE2 GLN 125 1HE2 GLN 125 62.631 45.556 66.167 981 2HE2 GLN 125 2HE2 GLN 125 63.491 44.125 65.267 982 H VAL 126 H VAL 126 66.642 50.586 64.584 983 HA VAL 126 HA VAL 126 64.514 52.298 63.497 984 HB VAL 126 HB VAL 126 67.570 51.933 63.032 985 1HG1 VAL 126 1HG1 VAL 126 66.929 54.509 62.229 986 2HG1 VAL 126 2HG1 VAL 126 65.412 53.674 61.698 987 3HG1 VAL 126 3HG1 VAL 126 67.073 53.199 61.003 988 1HG2 VAL 126 1HG2 VAL 126 66.319 52.918 65.166 989 2HG2 VAL 126 2HG2 VAL 126 66.056 54.362 64.171 990 3HG2 VAL 126 3HG2 VAL 126 67.778 53.789 64.560 991 H CYS 127 H CYS 127 63.476 52.072 61.604 992 HA CYS 127 HA CYS 127 64.552 49.991 59.665 993 1HB CYS 127 2HB CYS 127 62.223 49.550 59.063 994 2HB CYS 127 1HB CYS 127 62.292 49.690 60.862 995 HG CYS 127 HG CYS 127 61.369 51.977 58.651 996 H ARG 128 H ARG 128 63.008 50.577 57.589 997 HA ARG 128 HA ARG 128 63.630 53.449 56.957 998 1HB ARG 128 2HB ARG 128 65.755 52.249 56.448 999 2HB ARG 128 1HB ARG 128 64.821 51.091 55.348 1000 1HG ARG 128 2HG ARG 128 64.190 52.926 53.857 1001 2HG ARG 128 1HG ARG 128 64.888 54.124 54.955 1002 1HD ARG 128 2HD ARG 128 66.566 51.842 53.634 1003 2HD ARG 128 1HD ARG 128 66.310 53.564 52.954 1004 HE ARG 128 HE ARG 128 67.272 53.876 55.487 1005 1HH1 ARG 128 2HH1 ARG 128 68.491 52.378 52.364 1006 2HH1 ARG 128 1HH1 ARG 128 70.144 52.780 52.722 1007 1HH2 ARG 128 2HH2 ARG 128 69.493 54.339 55.815 1008 2HH2 ARG 128 1HH2 ARG 128 70.730 53.877 54.678 1009 H GLN 129 H GLN 129 62.351 54.362 55.629 1010 HA GLN 129 HA GLN 129 60.198 52.532 54.595 1011 1HB GLN 129 2HB GLN 129 60.248 55.269 55.632 1012 2HB GLN 129 1HB GLN 129 59.421 55.166 53.980 1013 1HG GLN 129 2HG GLN 129 57.952 54.847 56.057 1014 2HG GLN 129 1HG GLN 129 57.840 53.644 54.636 1015 1HE2 GLN 129 2HE2 GLN 129 57.073 51.914 56.230 1016 2HE2 GLN 129 1HE2 GLN 129 58.202 51.254 57.385 1017 H VAL 130 H VAL 130 59.077 52.955 52.436 1018 HA VAL 130 HA VAL 130 61.090 53.974 50.401 1019 HB VAL 130 HB VAL 130 59.511 51.308 50.178 1020 1HG1 VAL 130 1HG1 VAL 130 59.915 52.451 48.010 1021 2HG1 VAL 130 2HG1 VAL 130 61.027 51.019 48.135 1022 3HG1 VAL 130 3HG1 VAL 130 61.641 52.716 48.460 1023 1HG2 VAL 130 1HG2 VAL 130 62.511 51.661 50.348 1024 2HG2 VAL 130 2HG2 VAL 130 61.560 50.122 50.527 1025 3HG2 VAL 130 3HG2 VAL 130 61.490 51.367 51.842 1026 H PHE 131 H PHE 131 60.175 55.406 49.430 1027 HA PHE 131 HA PHE 131 57.218 55.391 48.717 1028 1HB PHE 131 2HB PHE 131 59.108 57.356 50.105 1029 2HB PHE 131 1HB PHE 131 57.937 58.044 48.890 1030 HD1 PHE 131 HD1 PHE 131 57.905 55.530 51.810 1031 HD2 PHE 131 HD2 PHE 131 56.025 58.817 49.704 1032 HE1 PHE 131 HE1 PHE 131 56.095 55.575 53.492 1033 HE2 PHE 131 HE2 PHE 131 54.262 58.818 51.413 1034 HZ PHE 131 HZ PHE 131 54.313 57.181 53.299 1035 H LYS 132 H LYS 132 56.549 56.241 47.033 1036 HA LYS 132 HA LYS 132 58.423 57.351 45.014 1037 1HB LYS 132 2HB LYS 132 57.654 54.995 44.325 1038 2HB LYS 132 1HB LYS 132 55.994 55.463 44.885 1039 1HG LYS 132 2HG LYS 132 56.459 57.428 42.962 1040 2HG LYS 132 1HG LYS 132 57.337 56.054 42.175 1041 1HD LYS 132 2HD LYS 132 54.500 55.996 43.144 1042 2HD LYS 132 1HD LYS 132 55.143 55.866 41.400 1043 1HE LYS 132 2HE LYS 132 56.395 53.870 43.104 1044 2HE LYS 132 1HE LYS 132 54.569 53.739 43.238 1045 1HZ LYS 132 1HZ LYS 132 54.620 53.684 40.770 1046 2HZ LYS 132 2HZ LYS 132 55.362 52.398 41.554 1047 3HZ LYS 132 3HZ LYS 132 56.277 53.619 40.800 1048 H LYS 133 H LYS 133 57.366 59.164 44.035 1049 HA LYS 133 HA LYS 133 54.521 59.653 45.117 1050 1HB LYS 133 2HB LYS 133 55.137 61.593 46.271 1051 2HB LYS 133 1HB LYS 133 56.665 60.590 46.378 1052 1HG LYS 133 2HG LYS 133 57.600 62.522 45.631 1053 2HG LYS 133 1HG LYS 133 56.988 62.060 43.976 1054 1HD LYS 133 2HD LYS 133 54.981 63.471 44.367 1055 2HD LYS 133 1HD LYS 133 55.564 63.793 46.074 1056 1HE LYS 133 2HE LYS 133 57.684 64.298 44.262 1057 2HE LYS 133 1HE LYS 133 56.174 65.248 43.714 1058 1HZ LYS 133 1HZ LYS 133 56.363 66.584 45.465 1059 2HZ LYS 133 2HZ LYS 133 57.909 66.036 45.721 1060 3HZ LYS 133 3HZ LYS 133 56.628 65.375 46.562 1061 H LYS 134 H LYS 134 53.537 61.567 44.483 1062 HA LYS 134 HA LYS 134 54.273 62.581 41.778 1063 1HB LYS 134 2HB LYS 134 51.850 60.681 42.299 1064 2HB LYS 134 1HB LYS 134 51.732 61.894 41.018 1065 1HG LYS 134 2HG LYS 134 52.730 60.282 39.746 1066 2HG LYS 134 1HG LYS 134 54.308 60.688 40.539 1067 1HD LYS 134 2HD LYS 134 53.490 59.179 42.490 1068 2HD LYS 134 1HD LYS 134 52.203 58.596 41.313 1069 1HE LYS 134 2HE LYS 134 54.727 58.705 39.870 1070 2HE LYS 134 1HE LYS 134 54.948 57.759 41.433 1071 1HZ LYS 134 1HZ LYS 134 52.656 57.292 39.563 1072 2HZ LYS 134 2HZ LYS 134 53.284 56.233 40.753 1073 3HZ LYS 134 3HZ LYS 134 54.098 56.516 39.376 1074 1H2 RTL 135 1H2 RET 135 49.087 50.318 57.269 1075 2H2 RTL 135 2H2 RET 135 47.588 50.437 58.044 1076 1H3 RTL 135 1H3 RET 135 48.306 48.667 59.360 1077 2H3 RTL 135 2H3 RET 135 49.898 48.906 58.953 1078 1H4 RTL 135 1H4 RET 135 49.489 49.442 61.427 1079 2H4 RTL 135 2H4 RET 135 48.412 50.678 60.944 1080 H7 RTL 135 H7 RET 135 52.140 52.666 58.743 1081 H8 RTL 135 H8 RET 135 49.899 54.690 59.517 1082 H10 RTL 135 H10 RET 135 50.433 56.144 57.270 1083 H11 RTL 135 H11 RET 135 53.167 56.998 56.897 1084 H12 RTL 135 H12 RET 135 51.001 59.075 57.723 1085 H14 RTL 135 H14 RET 135 51.384 60.421 55.414 1086 1H15 RTL 135 1H15 RET 135 53.486 62.362 56.131 1087 2H15 RTL 135 2H15 RET 135 52.586 62.274 54.561 1088 HO1 RTL 135 H51 RET 135 54.394 61.662 53.874 1089 1H16 RTL 135 1H16 RET 135 48.378 52.485 56.688 1090 2H16 RTL 135 2H16 RET 135 50.098 52.812 56.961 1091 3H16 RTL 135 3H16 RET 135 48.904 53.894 57.657 1092 1H17 RTL 135 1H17 RET 135 48.225 53.620 59.757 1093 2H17 RTL 135 2H17 RET 135 47.242 52.156 59.842 1094 3H17 RTL 135 3H17 RET 135 47.283 53.167 58.359 1095 1H18 RTL 135 1H18 RET 135 52.432 51.442 61.105 1096 2H18 RTL 135 2H18 RET 135 51.671 49.929 61.688 1097 3H18 RTL 135 3H18 RET 135 51.236 51.540 62.356 1098 1H19 RTL 135 1H19 RET 135 53.845 55.413 58.797 1099 2H19 RTL 135 2H19 RET 135 53.063 54.576 60.141 1100 3H19 RTL 135 3H19 RET 135 53.131 56.376 60.107 1101 1H20 RTL 135 1H20 RET 135 54.020 60.096 58.592 1102 2H20 RTL 135 2H20 RET 135 54.697 60.652 57.051 1103 3H20 RTL 135 3H20 RET 135 54.686 58.926 57.446 Start of MODEL 15 1 1H MET 1 1H MET 1 60.368 76.946 44.512 2 2H MET 1 2H MET 1 59.540 76.372 45.820 3 3H MET 1 3H MET 1 58.793 76.461 44.300 4 HA MET 1 HA MET 1 59.255 74.242 44.298 5 1HB MET 1 2HB MET 1 62.025 75.478 43.444 6 2HB MET 1 1HB MET 1 61.291 73.915 42.919 7 1HG MET 1 2HG MET 1 59.523 74.933 41.615 8 2HG MET 1 1HG MET 1 59.593 76.429 42.436 9 1HE MET 1 1HE MET 1 60.724 73.970 40.149 10 2HE MET 1 2HE MET 1 62.489 74.167 39.882 11 3HE MET 1 3HE MET 1 61.488 74.932 38.751 12 H THR 2 H THR 2 61.420 72.794 44.511 13 HA THR 2 HA THR 2 62.968 71.784 45.963 14 HB THR 2 HB THR 2 62.602 74.118 47.904 15 HG1 THR 2 1HG THR 2 63.397 74.938 45.958 16 1HG2 THR 2 1HG2 THR 2 64.140 72.596 49.057 17 2HG2 THR 2 2HG2 THR 2 65.303 72.978 47.795 18 3HG2 THR 2 3HG2 THR 2 64.262 71.547 47.589 19 H LYS 3 H LYS 3 60.701 73.582 48.140 20 HA LYS 3 HA LYS 3 59.979 70.838 49.212 21 1HB LYS 3 2HB LYS 3 59.678 71.896 51.394 22 2HB LYS 3 1HB LYS 3 61.240 72.564 50.779 23 1HG LYS 3 2HG LYS 3 59.125 74.229 49.742 24 2HG LYS 3 1HG LYS 3 58.713 73.862 51.492 25 1HD LYS 3 2HD LYS 3 61.569 74.669 50.562 26 2HD LYS 3 1HD LYS 3 60.258 75.872 50.981 27 1HE LYS 3 2HE LYS 3 60.107 74.126 53.120 28 2HE LYS 3 1HE LYS 3 61.890 73.968 52.631 29 1HZ LYS 3 1HZ LYS 3 61.678 76.573 52.548 30 2HZ LYS 3 2HZ LYS 3 62.029 75.815 53.987 31 3HZ LYS 3 3HZ LYS 3 60.492 76.365 53.654 32 H ASP 4 H ASP 4 57.673 70.893 50.401 33 HA ASP 4 HA ASP 4 55.761 72.759 49.481 34 1HB ASP 4 2HB ASP 4 56.558 71.135 47.266 35 2HB ASP 4 1HB ASP 4 55.010 70.409 47.923 36 H GLN 5 H GLN 5 56.292 69.095 49.773 37 HA GLN 5 HA GLN 5 55.252 67.527 50.954 38 1HB GLN 5 2HB GLN 5 54.454 69.803 52.915 39 2HB GLN 5 1HB GLN 5 55.005 68.118 53.405 40 1HG GLN 5 2HG GLN 5 56.864 70.170 52.119 41 2HG GLN 5 1HG GLN 5 56.665 69.776 53.929 42 1HE2 GLN 5 1HE2 GLN 5 58.961 69.489 52.177 43 2HE2 GLN 5 2HE2 GLN 5 59.385 67.782 52.164 44 H ASN 6 H ASN 6 54.261 68.710 49.001 45 HA ASN 6 HA ASN 6 51.294 68.386 49.185 46 1HB ASN 6 2HB ASN 6 52.954 70.790 48.187 47 2HB ASN 6 1HB ASN 6 51.770 70.129 46.977 48 1HD2 ASN 6 1HD2 ASN 6 52.320 72.181 49.395 49 2HD2 ASN 6 2HD2 ASN 6 50.551 72.562 49.866 50 H GLY 7 H GLY 7 51.604 66.350 48.662 51 1HA GLY 7 1HA GLY 7 51.490 65.755 45.798 52 2HA GLY 7 2HA GLY 7 53.084 65.378 46.465 53 H THR 8 H THR 8 51.710 63.678 45.334 54 HA THR 8 HA THR 8 50.355 61.833 47.174 55 HB THR 8 HB THR 8 50.835 60.927 44.323 56 HG1 THR 8 1HG THR 8 50.433 63.179 43.989 57 1HG2 THR 8 1HG2 THR 8 48.314 60.506 44.565 58 2HG2 THR 8 2HG2 THR 8 48.327 61.545 46.079 59 3HG2 THR 8 3HG2 THR 8 49.104 59.933 46.090 60 H TRP 9 H TRP 9 51.125 59.638 46.879 61 HA TRP 9 HA TRP 9 53.744 58.933 45.938 62 1HB TRP 9 2HB TRP 9 54.456 58.758 48.715 63 2HB TRP 9 1HB TRP 9 55.292 59.623 47.378 64 HD1 TRP 9 HD1 TRP 9 51.995 60.086 49.401 65 HE1 TRP 9 HE1 TRP 9 51.747 62.511 50.154 66 HE3 TRP 9 HE3 TRP 9 56.199 61.824 47.446 67 HZ2 TRP 9 HZ2 TRP 9 53.222 64.780 49.913 68 HZ3 TRP 9 HZ3 TRP 9 56.796 64.231 47.733 69 HH2 TRP 9 HH2 TRP 9 55.378 65.731 48.936 70 H GLU 10 H GLU 10 52.179 57.235 45.386 71 HA GLU 10 HA GLU 10 50.851 55.586 47.247 72 1HB GLU 10 2HB GLU 10 52.079 55.087 44.480 73 2HB GLU 10 1HB GLU 10 51.306 53.729 45.452 74 1HG GLU 10 2HG GLU 10 49.562 56.030 45.651 75 2HG GLU 10 1HG GLU 10 50.122 55.847 43.916 76 H MET 11 H MET 11 51.844 54.728 48.979 77 HA MET 11 HA MET 11 54.593 54.157 49.522 78 1HB MET 11 2HB MET 11 51.878 53.004 50.341 79 2HB MET 11 1HB MET 11 53.354 52.094 50.803 80 1HG MET 11 2HG MET 11 54.303 54.286 51.899 81 2HG MET 11 1HG MET 11 52.908 55.073 51.255 82 1HE MET 11 1HE MET 11 54.125 53.846 54.911 83 2HE MET 11 2HE MET 11 52.734 54.939 55.291 84 3HE MET 11 3HE MET 11 53.851 55.424 54.071 85 H GLU 12 H GLU 12 55.808 52.568 49.487 86 HA GLU 12 HA GLU 12 55.303 50.355 47.551 87 1HB GLU 12 2HB GLU 12 56.891 52.214 46.611 88 2HB GLU 12 1HB GLU 12 58.033 51.704 47.965 89 1HG GLU 12 2HG GLU 12 57.663 49.305 47.119 90 2HG GLU 12 1HG GLU 12 56.834 50.070 45.643 91 H SER 13 H SER 13 57.605 51.443 50.110 92 HA SER 13 HA SER 13 56.995 49.113 51.761 93 1HB SER 13 2HB SER 13 58.750 47.619 51.231 94 2HB SER 13 1HB SER 13 58.693 48.413 49.523 95 HG SER 13 HG SER 13 60.721 48.335 50.707 96 H ASN 14 H ASN 14 58.660 48.530 53.092 97 HA ASN 14 HA ASN 14 60.304 50.716 54.255 98 1HB ASN 14 2HB ASN 14 58.929 48.697 56.151 99 2HB ASN 14 1HB ASN 14 59.078 50.545 56.352 100 1HD2 ASN 14 1HD2 ASN 14 57.825 51.747 54.750 101 2HD2 ASN 14 2HD2 ASN 14 56.160 51.020 54.284 102 H GLU 15 H GLU 15 61.750 50.026 55.848 103 HA GLU 15 HA GLU 15 62.840 47.514 54.699 104 1HB GLU 15 2HB GLU 15 64.060 49.514 56.790 105 2HB GLU 15 1HB GLU 15 64.948 48.074 56.103 106 1HG GLU 15 2HG GLU 15 63.809 49.134 53.797 107 2HG GLU 15 1HG GLU 15 64.499 50.574 54.767 108 H ASN 16 H ASN 16 62.371 48.760 58.014 109 HA ASN 16 HA ASN 16 61.978 45.930 58.890 110 1HB ASN 16 2HB ASN 16 63.062 48.346 60.305 111 2HB ASN 16 1HB ASN 16 61.865 47.213 61.263 112 1HD2 ASN 16 2HD2 ASN 16 64.979 47.866 60.379 113 2HD2 ASN 16 1HD2 ASN 16 65.595 46.090 60.618 114 H PHE 17 H PHE 17 60.060 45.648 58.110 115 HA PHE 17 HA PHE 17 57.697 47.299 58.352 116 1HB PHE 17 2HB PHE 17 57.990 44.198 58.359 117 2HB PHE 17 1HB PHE 17 56.476 45.116 57.969 118 HD1 PHE 17 HD1 PHE 17 56.350 46.554 55.938 119 HD2 PHE 17 HD2 PHE 17 59.699 44.041 56.806 120 HE1 PHE 17 HE1 PHE 17 57.100 46.720 53.638 121 HE2 PHE 17 HE2 PHE 17 60.498 44.197 54.438 122 HZ PHE 17 HZ PHE 17 59.194 45.545 52.827 123 H GLU 18 H GLU 18 59.198 44.858 60.332 124 HA GLU 18 HA GLU 18 57.153 44.321 62.280 125 1HB GLU 18 2HB GLU 18 60.257 44.337 62.343 126 2HB GLU 18 1HB GLU 18 59.257 43.962 63.781 127 1HG GLU 18 2HG GLU 18 57.932 42.367 62.163 128 2HG GLU 18 1HG GLU 18 59.560 42.385 61.194 129 H GLY 19 H GLY 19 59.239 47.150 62.017 130 1HA GLY 19 1HA GLY 19 58.909 47.738 64.892 131 2HA GLY 19 2HA GLY 19 59.570 48.921 63.699 132 H TYR 20 H TYR 20 56.983 48.128 62.072 133 HA TYR 20 HA TYR 20 55.421 50.464 62.966 134 1HB TYR 20 2HB TYR 20 54.778 47.968 61.190 135 2HB TYR 20 1HB TYR 20 53.651 49.356 61.500 136 HD1 TYR 20 HD1 TYR 20 56.406 51.288 61.440 137 HD2 TYR 20 HD2 TYR 20 54.170 48.567 58.946 138 HE1 TYR 20 HE1 TYR 20 57.163 52.487 59.435 139 HE2 TYR 20 HE2 TYR 20 54.908 49.737 56.898 140 HH TYR 20 HH TYR 20 55.781 51.888 56.311 141 H MET 21 H MET 21 55.390 46.971 63.714 142 HA MET 21 HA MET 21 52.833 47.087 65.061 143 1HB MET 21 2HB MET 21 54.200 45.044 63.872 144 2HB MET 21 1HB MET 21 55.251 45.154 65.297 145 1HG MET 21 2HG MET 21 52.613 45.145 66.382 146 2HG MET 21 1HG MET 21 52.420 44.050 65.016 147 1HE MET 21 1HE MET 21 52.850 44.054 68.623 148 2HE MET 21 2HE MET 21 54.474 44.891 68.277 149 3HE MET 21 3HE MET 21 54.462 43.422 69.119 150 H LYS 22 H LYS 22 56.140 47.449 65.704 151 HA LYS 22 HA LYS 22 55.773 47.419 68.645 152 1HB LYS 22 2HB LYS 22 57.954 46.461 67.520 153 2HB LYS 22 1HB LYS 22 58.240 48.136 66.867 154 1HG LYS 22 2HG LYS 22 59.230 48.790 68.710 155 2HG LYS 22 1HG LYS 22 57.766 48.332 69.710 156 1HD LYS 22 2HD LYS 22 59.027 45.842 69.026 157 2HD LYS 22 1HD LYS 22 60.385 46.936 69.573 158 1HE LYS 22 2HE LYS 22 58.891 47.620 71.520 159 2HE LYS 22 1HE LYS 22 57.825 46.201 71.009 160 1HZ LYS 22 1HZ LYS 22 59.217 44.922 72.168 161 2HZ LYS 22 2HZ LYS 22 60.262 46.188 72.491 162 3HZ LYS 22 3HZ LYS 22 60.459 45.322 71.080 163 H ALA 23 H ALA 23 55.642 49.481 66.107 164 HA ALA 23 HA ALA 23 56.267 51.910 67.502 165 1HB ALA 23 1HB ALA 23 56.048 51.684 65.007 166 2HB ALA 23 2HB ALA 23 55.226 53.157 65.734 167 3HB ALA 23 3HB ALA 23 54.239 51.724 65.209 168 H LEU 24 H LEU 24 53.787 49.764 67.536 169 HA LEU 24 HA LEU 24 52.484 50.255 69.855 170 1HB LEU 24 2HB LEU 24 50.450 51.471 69.417 171 2HB LEU 24 1HB LEU 24 51.757 52.514 68.782 172 HG LEU 24 HG LEU 24 50.037 50.582 66.972 173 1HD1 LEU 24 1HD1 LEU 24 49.205 52.868 68.226 174 2HD1 LEU 24 2HD1 LEU 24 48.465 52.144 66.787 175 3HD1 LEU 24 3HD1 LEU 24 49.719 53.479 66.602 176 1HD2 LEU 24 1HD2 LEU 24 52.370 51.064 66.072 177 2HD2 LEU 24 2HD2 LEU 24 52.082 52.810 66.204 178 3HD2 LEU 24 3HD2 LEU 24 51.050 51.750 65.099 179 H ASP 25 H ASP 25 51.234 48.803 70.255 180 HA ASP 25 HA ASP 25 51.095 46.383 68.730 181 1HB ASP 25 2HB ASP 25 50.851 47.013 71.400 182 2HB ASP 25 1HB ASP 25 49.068 47.025 70.945 183 H ILE 26 H ILE 26 50.435 47.114 66.828 184 HA ILE 26 HA ILE 26 47.533 47.906 66.608 185 HB ILE 26 HB ILE 26 49.146 49.215 65.410 186 1HG1 ILE 26 2HG1 ILE 26 48.186 49.014 63.025 187 2HG1 ILE 26 1HG1 ILE 26 47.353 47.527 63.660 188 1HG2 ILE 26 1HG2 ILE 26 50.110 47.716 63.198 189 2HG2 ILE 26 2HG2 ILE 26 50.079 46.494 64.498 190 3HG2 ILE 26 3HG2 ILE 26 51.030 48.066 64.729 191 1HD1 ILE 26 1HD1 ILE 26 46.162 49.996 63.855 192 2HD1 ILE 26 2HD1 ILE 26 47.097 49.975 65.413 193 3HD1 ILE 26 3HD1 ILE 26 45.921 48.695 65.046 194 H ASP 27 H ASP 27 49.592 45.276 66.363 195 HA ASP 27 HA ASP 27 48.663 43.102 66.603 196 1HB ASP 27 2HB ASP 27 46.353 43.696 65.845 197 2HB ASP 27 1HB ASP 27 46.988 43.640 64.062 198 H PHE 28 H PHE 28 49.174 41.227 65.187 199 HA PHE 28 HA PHE 28 51.671 41.855 63.788 200 1HB PHE 28 2HB PHE 28 50.689 39.051 63.456 201 2HB PHE 28 1HB PHE 28 52.234 39.694 64.159 202 HD1 PHE 28 HD1 PHE 28 51.574 41.083 66.567 203 HD2 PHE 28 HD2 PHE 28 49.525 37.726 64.798 204 HE1 PHE 28 HE1 PHE 28 50.625 40.406 68.848 205 HE2 PHE 28 HE2 PHE 28 48.657 37.078 66.987 206 HZ PHE 28 HZ PHE 28 49.183 38.400 68.996 207 H ALA 29 H ALA 29 48.378 41.230 62.966 208 HA ALA 29 HA ALA 29 48.860 40.429 60.130 209 1HB ALA 29 1HB ALA 29 46.383 40.481 60.027 210 2HB ALA 29 2HB ALA 29 46.363 41.832 61.227 211 3HB ALA 29 3HB ALA 29 46.719 40.148 61.818 212 H THR 30 H THR 30 48.429 43.292 61.984 213 HA THR 30 HA THR 30 47.844 45.105 59.859 214 HB THR 30 HB THR 30 49.258 45.694 62.510 215 HG1 THR 30 1HG THR 30 46.523 45.559 61.809 216 1HG2 THR 30 1HG2 THR 30 49.178 47.815 61.471 217 2HG2 THR 30 2HG2 THR 30 47.352 47.721 61.693 218 3HG2 THR 30 3HG2 THR 30 48.094 47.165 60.139 219 H ARG 31 H ARG 31 50.894 43.991 61.134 220 HA ARG 31 HA ARG 31 52.564 45.806 59.521 221 1HB ARG 31 2HB ARG 31 53.989 45.379 61.231 222 2HB ARG 31 1HB ARG 31 52.955 44.090 61.850 223 1HG ARG 31 2HG ARG 31 54.727 43.391 59.385 224 2HG ARG 31 1HG ARG 31 55.443 43.606 61.032 225 1HD ARG 31 2HD ARG 31 53.269 42.128 61.704 226 2HD ARG 31 1HD ARG 31 53.293 41.612 59.973 227 HE ARG 31 HE ARG 31 55.135 40.355 60.360 228 1HH1 ARG 31 1HH2 ARG 31 54.864 42.726 63.158 229 2HH1 ARG 31 2HH2 ARG 31 56.228 41.953 64.025 230 1HH2 ARG 31 2HH1 ARG 31 56.840 39.467 61.592 231 2HH2 ARG 31 1HH1 ARG 31 57.293 40.181 63.183 232 H LYS 32 H LYS 32 51.292 42.436 59.348 233 HA LYS 32 HA LYS 32 52.956 41.850 57.061 234 1HB LYS 32 2HB LYS 32 52.175 39.750 57.709 235 2HB LYS 32 1HB LYS 32 50.975 40.581 58.817 236 1HG LYS 32 2HG LYS 32 49.451 40.872 56.741 237 2HG LYS 32 1HG LYS 32 50.561 39.817 55.836 238 1HD LYS 32 2HD LYS 32 49.861 37.889 56.996 239 2HD LYS 32 1HD LYS 32 49.894 38.796 58.541 240 1HE LYS 32 2HE LYS 32 47.546 38.694 58.373 241 2HE LYS 32 1HE LYS 32 47.750 40.000 57.145 242 1HZ LYS 32 1HZ LYS 32 46.610 37.838 56.298 243 2HZ LYS 32 2HZ LYS 32 48.173 37.226 56.296 244 3HZ LYS 32 3HZ LYS 32 47.765 38.584 55.421 245 H ILE 33 H ILE 33 50.121 43.534 57.813 246 HA ILE 33 HA ILE 33 48.892 43.441 55.174 247 HB ILE 33 HB ILE 33 48.377 44.681 57.833 248 1HG1 ILE 33 2HG1 ILE 33 46.116 44.185 57.520 249 2HG1 ILE 33 1HG1 ILE 33 46.259 44.279 55.704 250 1HG2 ILE 33 1HG2 ILE 33 46.737 46.419 56.700 251 2HG2 ILE 33 2HG2 ILE 33 47.809 46.321 55.281 252 3HG2 ILE 33 3HG2 ILE 33 48.498 46.902 56.833 253 1HD1 ILE 33 1HD1 ILE 33 46.673 41.974 55.668 254 2HD1 ILE 33 2HD1 ILE 33 46.502 41.974 57.504 255 3HD1 ILE 33 3HD1 ILE 33 48.107 42.200 56.702 256 H ALA 34 H ALA 34 50.603 45.831 57.230 257 HA ALA 34 HA ALA 34 50.727 47.991 55.319 258 1HB ALA 34 1HB ALA 34 51.139 48.238 57.829 259 2HB ALA 34 2HB ALA 34 52.515 48.826 56.841 260 3HB ALA 34 3HB ALA 34 52.619 47.231 57.687 261 H VAL 35 H VAL 35 52.434 45.069 55.745 262 HA VAL 35 HA VAL 35 54.959 45.674 54.689 263 HB VAL 35 HB VAL 35 53.337 43.225 55.084 264 1HG1 VAL 35 1HG1 VAL 35 55.156 41.807 53.880 265 2HG1 VAL 35 2HG1 VAL 35 55.728 43.373 53.111 266 3HG1 VAL 35 3HG1 VAL 35 54.095 42.708 52.771 267 1HG2 VAL 35 1HG2 VAL 35 56.294 43.310 55.574 268 2HG2 VAL 35 2HG2 VAL 35 54.942 42.731 56.662 269 3HG2 VAL 35 3HG2 VAL 35 55.267 44.528 56.459 270 H ARG 36 H ARG 36 52.196 44.242 53.080 271 HA ARG 36 HA ARG 36 53.523 44.704 50.386 272 1HB ARG 36 2HB ARG 36 52.112 43.030 49.470 273 2HB ARG 36 1HB ARG 36 52.706 42.433 51.067 274 1HG ARG 36 2HG ARG 36 50.023 43.894 51.153 275 2HG ARG 36 1HG ARG 36 50.054 42.361 50.198 276 1HD ARG 36 2HD ARG 36 51.582 42.004 52.651 277 2HD ARG 36 1HD ARG 36 50.006 42.678 53.126 278 HE ARG 36 HE ARG 36 50.456 40.063 52.002 279 1HH1 ARG 36 2HH1 ARG 36 48.094 42.740 52.055 280 2HH1 ARG 36 1HH1 ARG 36 46.730 41.694 51.715 281 1HH2 ARG 36 1HH2 ARG 36 48.529 38.690 51.523 282 2HH2 ARG 36 2HH2 ARG 36 46.971 39.472 51.398 283 H LEU 37 H LEU 37 51.411 46.280 52.406 284 HA LEU 37 HA LEU 37 49.528 46.996 50.247 285 1HB LEU 37 2HB LEU 37 49.813 47.652 53.264 286 2HB LEU 37 1HB LEU 37 49.143 48.944 52.209 287 HG LEU 37 HG LEU 37 47.556 47.250 53.271 288 1HD1 LEU 37 1HD1 LEU 37 47.446 47.963 50.267 289 2HD1 LEU 37 2HD1 LEU 37 46.953 48.986 51.669 290 3HD1 LEU 37 3HD1 LEU 37 46.025 47.435 51.323 291 1HD2 LEU 37 1HD2 LEU 37 49.007 45.227 52.141 292 2HD2 LEU 37 2HD2 LEU 37 48.012 45.693 50.657 293 3HD2 LEU 37 3HD2 LEU 37 47.207 45.185 52.204 294 H THR 38 H THR 38 49.688 48.341 48.860 295 HA THR 38 HA THR 38 51.830 50.418 49.017 296 HB THR 38 HB THR 38 51.286 50.557 46.500 297 HG1 THR 38 1HG THR 38 50.261 47.970 46.753 298 1HG2 THR 38 1HG2 THR 38 53.287 49.374 47.255 299 2HG2 THR 38 2HG2 THR 38 52.557 48.397 45.896 300 3HG2 THR 38 3HG2 THR 38 52.292 47.898 47.638 301 H GLN 39 H GLN 39 49.763 51.023 50.622 302 HA GLN 39 HA GLN 39 47.628 52.408 49.440 303 1HB GLN 39 2HB GLN 39 47.236 53.124 51.611 304 2HB GLN 39 1HB GLN 39 48.622 51.950 52.012 305 1HG GLN 39 2HG GLN 39 50.192 53.822 51.588 306 2HG GLN 39 1HG GLN 39 48.740 54.978 51.535 307 1HE2 GLN 39 1HE2 GLN 39 50.024 55.971 53.146 308 2HE2 GLN 39 2HE2 GLN 39 49.698 55.557 54.832 309 H THR 40 H THR 40 47.171 54.561 49.717 310 HA THR 40 HA THR 40 49.171 56.274 48.357 311 HB THR 40 HB THR 40 46.098 56.390 48.380 312 HG1 THR 40 1HG THR 40 46.491 54.992 46.860 313 1HG2 THR 40 1HG2 THR 40 46.364 58.337 46.843 314 2HG2 THR 40 2HG2 THR 40 48.091 57.835 46.484 315 3HG2 THR 40 3HG2 THR 40 47.640 58.631 48.048 316 H LYS 41 H LYS 41 49.693 58.160 49.025 317 HA LYS 41 HA LYS 41 48.233 59.147 51.556 318 1HB LYS 41 2HB LYS 41 50.543 57.915 51.901 319 2HB LYS 41 1HB LYS 41 51.289 59.352 51.043 320 1HG LYS 41 2HG LYS 41 50.027 60.735 52.952 321 2HG LYS 41 1HG LYS 41 49.861 59.132 53.784 322 1HD LYS 41 2HD LYS 41 51.933 60.155 54.571 323 2HD LYS 41 1HD LYS 41 52.493 59.025 53.232 324 1HE LYS 41 2HE LYS 41 52.589 60.762 51.632 325 2HE LYS 41 1HE LYS 41 52.012 61.977 52.870 326 1HZ LYS 41 1HZ LYS 41 54.489 62.020 52.632 327 2HZ LYS 41 2HZ LYS 41 54.491 60.327 52.808 328 3HZ LYS 41 3HZ LYS 41 54.139 61.307 54.086 329 H ILE 42 H ILE 42 48.076 61.600 51.586 330 HA ILE 42 HA ILE 42 49.770 62.763 49.466 331 HB ILE 42 HB ILE 42 48.129 61.972 47.925 332 1HG1 ILE 42 2HG1 ILE 42 47.324 64.876 48.468 333 2HG1 ILE 42 1HG1 ILE 42 48.848 64.425 47.635 334 1HG2 ILE 42 1HG2 ILE 42 45.664 63.031 48.372 335 2HG2 ILE 42 2HG2 ILE 42 46.130 62.660 50.068 336 3HG2 ILE 42 3HG2 ILE 42 46.173 61.378 48.786 337 1HD1 ILE 42 1HD1 ILE 42 47.657 63.966 45.674 338 2HD1 ILE 42 2HD1 ILE 42 46.257 64.796 46.387 339 3HD1 ILE 42 3HD1 ILE 42 46.404 62.993 46.572 340 H ILE 43 H ILE 43 50.524 63.817 50.924 341 HA ILE 43 HA ILE 43 49.618 65.482 53.060 342 HB ILE 43 HB ILE 43 51.830 66.285 51.200 343 1HG1 ILE 43 2HG1 ILE 43 51.964 63.865 53.193 344 2HG1 ILE 43 1HG1 ILE 43 52.369 63.834 51.380 345 1HG2 ILE 43 1HG2 ILE 43 52.903 66.871 53.360 346 2HG2 ILE 43 2HG2 ILE 43 51.626 65.902 54.268 347 3HG2 ILE 43 3HG2 ILE 43 51.184 67.443 53.421 348 1HD1 ILE 43 1HD1 ILE 43 53.814 64.824 53.802 349 2HD1 ILE 43 2HD1 ILE 43 54.112 65.722 52.240 350 3HD1 ILE 43 3HD1 ILE 43 54.516 64.005 52.321 351 H VAL 44 H VAL 44 49.207 67.696 53.132 352 HA VAL 44 HA VAL 44 49.377 69.072 50.452 353 HB VAL 44 HB VAL 44 47.254 67.978 50.332 354 1HG1 VAL 44 1HG1 VAL 44 46.935 68.635 53.090 355 2HG1 VAL 44 2HG1 VAL 44 45.755 67.788 52.010 356 3HG1 VAL 44 3HG1 VAL 44 45.652 69.567 52.213 357 1HG2 VAL 44 1HG2 VAL 44 46.092 70.740 50.628 358 2HG2 VAL 44 2HG2 VAL 44 46.546 69.833 49.110 359 3HG2 VAL 44 3HG2 VAL 44 47.762 70.824 49.986 360 H GLN 45 H GLN 45 50.945 70.094 51.818 361 HA GLN 45 HA GLN 45 50.933 71.612 53.976 362 1HB GLN 45 2HB GLN 45 52.199 71.474 51.453 363 2HB GLN 45 1HB GLN 45 51.861 73.244 51.602 364 1HG GLN 45 2HG GLN 45 52.758 72.758 54.156 365 2HG GLN 45 1HG GLN 45 53.682 71.481 53.205 366 1HE2 GLN 45 1HE2 GLN 45 54.742 73.581 54.521 367 2HE2 GLN 45 2HE2 GLN 45 55.471 74.762 53.255 368 H ASP 46 H ASP 46 50.505 73.308 54.917 369 HA ASP 46 HA ASP 46 48.847 75.248 53.377 370 1HB ASP 46 2HB ASP 46 47.975 73.498 55.665 371 2HB ASP 46 1HB ASP 46 47.257 75.208 55.490 372 H GLY 47 H GLY 47 51.477 75.310 54.365 373 1HA GLY 47 1HA GLY 47 52.737 77.220 55.214 374 2HA GLY 47 2HA GLY 47 51.210 77.769 56.121 375 H ASP 48 H ASP 48 50.519 76.131 57.673 376 HA ASP 48 HA ASP 48 52.692 74.657 59.070 377 1HB ASP 48 2HB ASP 48 51.240 77.161 60.245 378 2HB ASP 48 1HB ASP 48 52.431 76.093 61.223 379 H ASN 49 H ASN 49 50.317 74.108 57.898 380 HA ASN 49 HA ASN 49 48.838 72.651 60.011 381 1HB ASN 49 2HB ASN 49 47.704 74.885 59.747 382 2HB ASN 49 1HB ASN 49 47.644 74.564 57.928 383 1HD2 ASN 49 2HD2 ASN 49 46.042 73.720 57.199 384 2HD2 ASN 49 1HD2 ASN 49 44.657 72.881 58.165 385 H PHE 50 H PHE 50 50.644 71.721 58.157 386 HA PHE 50 HA PHE 50 49.341 70.754 55.763 387 1HB PHE 50 2HB PHE 50 51.256 69.643 55.154 388 2HB PHE 50 1HB PHE 50 51.910 70.957 56.204 389 HD1 PHE 50 HD1 PHE 50 51.531 70.144 58.883 390 HD2 PHE 50 HD2 PHE 50 52.335 67.696 55.433 391 HE1 PHE 50 HE1 PHE 50 52.510 68.363 60.368 392 HE2 PHE 50 HE2 PHE 50 53.308 65.901 56.891 393 HZ PHE 50 HZ PHE 50 53.370 66.290 59.299 394 H LYS 51 H LYS 51 48.447 68.833 55.048 395 HA LYS 51 HA LYS 51 48.089 66.863 57.231 396 1HB LYS 51 2HB LYS 51 46.031 67.630 57.620 397 2HB LYS 51 1HB LYS 51 45.951 68.666 56.080 398 1HG LYS 51 2HG LYS 51 45.601 65.596 55.922 399 2HG LYS 51 1HG LYS 51 44.250 66.696 56.414 400 1HD LYS 51 2HD LYS 51 45.563 67.975 54.318 401 2HD LYS 51 1HD LYS 51 45.316 66.229 53.767 402 1HE LYS 51 2HE LYS 51 43.357 68.342 54.716 403 2HE LYS 51 1HE LYS 51 43.371 67.476 53.059 404 1HZ LYS 51 1HZ LYS 51 41.779 66.263 54.094 405 2HZ LYS 51 2HZ LYS 51 42.179 66.743 55.609 406 3HZ LYS 51 3HZ LYS 51 43.045 65.482 54.881 407 H THR 52 H THR 52 47.967 64.895 56.784 408 HA THR 52 HA THR 52 48.015 64.133 53.871 409 HB THR 52 HB THR 52 50.281 63.875 54.337 410 HG1 THR 52 1HG THR 52 49.278 61.861 54.293 411 1HG2 THR 52 1HG2 THR 52 49.524 63.585 57.367 412 2HG2 THR 52 2HG2 THR 52 50.276 65.059 56.636 413 3HG2 THR 52 3HG2 THR 52 51.207 63.539 56.686 414 H LYS 53 H LYS 53 46.549 62.428 53.449 415 HA LYS 53 HA LYS 53 45.628 60.913 55.923 416 1HB LYS 53 2HB LYS 53 43.775 60.158 54.080 417 2HB LYS 53 1HB LYS 53 43.667 61.812 54.761 418 1HG LYS 53 2HG LYS 53 45.331 61.228 52.292 419 2HG LYS 53 1HG LYS 53 43.487 61.272 52.117 420 1HD LYS 53 2HD LYS 53 44.303 63.531 53.687 421 2HD LYS 53 1HD LYS 53 45.192 63.503 52.087 422 1HE LYS 53 2HE LYS 53 42.605 62.881 51.269 423 2HE LYS 53 1HE LYS 53 42.222 63.907 52.750 424 1HZ LYS 53 1HZ LYS 53 42.897 65.705 51.757 425 2HZ LYS 53 2HZ LYS 53 42.944 64.915 50.307 426 3HZ LYS 53 3HZ LYS 53 44.331 64.983 51.209 427 H THR 54 H THR 54 45.139 58.726 55.534 428 HA THR 54 HA THR 54 47.158 57.372 53.754 429 HB THR 54 HB THR 54 47.484 55.609 55.307 430 HG1 THR 54 1HG THR 54 45.317 56.799 56.534 431 1HG2 THR 54 1HG2 THR 54 47.456 58.090 57.147 432 2HG2 THR 54 2HG2 THR 54 48.515 58.074 55.643 433 3HG2 THR 54 3HG2 THR 54 48.799 56.902 56.977 434 H ASN 55 H ASN 55 46.273 56.570 52.174 435 HA ASN 55 HA ASN 55 43.571 55.257 52.463 436 1HB ASN 55 2HB ASN 55 45.042 56.388 50.034 437 2HB ASN 55 1HB ASN 55 43.480 55.290 49.944 438 1HD2 ASN 55 1HD2 ASN 55 44.954 57.952 51.599 439 2HD2 ASN 55 2HD2 ASN 55 43.408 59.020 51.706 440 H SER 56 H SER 56 44.935 53.799 53.648 441 HA SER 56 HA SER 56 46.235 51.601 52.087 442 1HB SER 56 2HB SER 56 47.180 51.112 54.178 443 2HB SER 56 1HB SER 56 46.378 52.754 54.701 444 HG SER 56 HG SER 56 45.846 50.582 55.733 445 H THR 57 H THR 57 43.255 52.477 53.467 446 HA THR 57 HA THR 57 41.138 51.535 53.093 447 HB THR 57 HB THR 57 42.367 48.838 52.374 448 HG1 THR 57 1HG THR 57 42.616 51.165 50.830 449 1HG2 THR 57 1HG2 THR 57 40.324 48.498 51.379 450 2HG2 THR 57 2HG2 THR 57 40.132 50.215 50.775 451 3HG2 THR 57 3HG2 THR 57 39.778 49.819 52.506 452 H PHE 58 H PHE 58 43.432 49.038 53.983 453 HA PHE 58 HA PHE 58 42.201 47.587 55.980 454 1HB PHE 58 2HB PHE 58 44.753 47.433 55.292 455 2HB PHE 58 1HB PHE 58 45.028 48.750 56.471 456 HD1 PHE 58 HD1 PHE 58 45.473 48.307 58.641 457 HD2 PHE 58 HD2 PHE 58 43.337 45.380 56.384 458 HE1 PHE 58 HE1 PHE 58 45.576 46.729 60.575 459 HE2 PHE 58 HE2 PHE 58 43.439 43.827 58.313 460 HZ PHE 58 HZ PHE 58 44.568 44.509 60.387 461 H ARG 59 H ARG 59 44.058 50.502 56.657 462 HA ARG 59 HA ARG 59 42.117 51.075 58.938 463 1HB ARG 59 2HB ARG 59 44.756 49.939 59.344 464 2HB ARG 59 1HB ARG 59 44.686 51.615 60.038 465 1HG ARG 59 2HG ARG 59 43.018 51.067 61.538 466 2HG ARG 59 1HG ARG 59 42.348 49.751 60.428 467 1HD ARG 59 2HD ARG 59 44.160 48.237 61.077 468 2HD ARG 59 1HD ARG 59 44.992 49.581 61.928 469 HE ARG 59 HE ARG 59 42.514 49.575 63.112 470 1HH1 ARG 59 1HH1 ARG 59 45.200 47.152 62.662 471 2HH1 ARG 59 2HH1 ARG 59 44.843 46.320 64.176 472 1HH2 ARG 59 2HH2 ARG 59 42.172 48.356 65.148 473 2HH2 ARG 59 1HH2 ARG 59 43.210 46.972 65.500 474 H ASN 60 H ASN 60 41.382 52.656 57.910 475 HA ASN 60 HA ASN 60 42.730 54.841 56.685 476 1HB ASN 60 2HB ASN 60 40.650 56.215 57.614 477 2HB ASN 60 1HB ASN 60 40.154 54.653 56.734 478 1HD2 ASN 60 2HD2 ASN 60 39.478 52.900 57.878 479 2HD2 ASN 60 1HD2 ASN 60 38.924 53.045 59.531 480 H TYR 61 H TYR 61 43.539 56.657 57.358 481 HA TYR 61 HA TYR 61 43.441 57.721 60.067 482 1HB TYR 61 2HB TYR 61 44.919 55.594 60.327 483 2HB TYR 61 1HB TYR 61 46.072 56.328 59.102 484 HD1 TYR 61 HD1 TYR 61 44.035 57.784 61.947 485 HD2 TYR 61 HD2 TYR 61 47.993 57.014 60.398 486 HE1 TYR 61 HE1 TYR 61 44.947 59.047 63.803 487 HE2 TYR 61 HE2 TYR 61 48.932 58.303 62.291 488 HH TYR 61 HH TYR 61 47.714 58.806 64.899 489 H ASP 62 H ASP 62 44.474 59.688 60.243 490 HA ASP 62 HA ASP 62 45.913 60.862 57.860 491 1HB ASP 62 2HB ASP 62 43.378 61.499 58.003 492 2HB ASP 62 1HB ASP 62 43.932 62.363 59.599 493 H LEU 63 H LEU 63 47.489 62.292 58.241 494 HA LEU 63 HA LEU 63 48.251 62.382 61.178 495 1HB LEU 63 2HB LEU 63 49.650 61.609 58.891 496 2HB LEU 63 1HB LEU 63 50.347 63.281 59.233 497 HG LEU 63 HG LEU 63 51.690 61.619 60.510 498 1HD1 LEU 63 1HD1 LEU 63 51.657 63.122 62.142 499 2HD1 LEU 63 2HD1 LEU 63 50.351 62.083 62.914 500 3HD1 LEU 63 3HD1 LEU 63 49.947 63.531 61.879 501 1HD2 LEU 63 1HD2 LEU 63 49.504 60.048 60.145 502 2HD2 LEU 63 2HD2 LEU 63 49.142 60.597 61.849 503 3HD2 LEU 63 3HD2 LEU 63 50.748 59.750 61.445 504 H ASP 64 H ASP 64 46.207 64.090 60.542 505 HA ASP 64 HA ASP 64 47.090 66.659 59.636 506 1HB ASP 64 2HB ASP 64 44.692 65.769 60.206 507 2HB ASP 64 1HB ASP 64 45.141 66.081 62.013 508 H PHE 65 H PHE 65 48.345 68.211 60.411 509 HA PHE 65 HA PHE 65 48.660 68.649 63.240 510 1HB PHE 65 2HB PHE 65 49.934 66.459 63.045 511 2HB PHE 65 1HB PHE 65 50.844 67.231 61.663 512 HD1 PHE 65 HD1 PHE 65 53.148 67.557 62.334 513 HD2 PHE 65 HD2 PHE 65 49.795 68.464 64.950 514 HE1 PHE 65 HE1 PHE 65 54.645 68.468 63.924 515 HE2 PHE 65 HE2 PHE 65 51.405 69.418 66.583 516 HZ PHE 65 HZ PHE 65 53.839 69.419 66.067 517 H THR 66 H THR 66 49.967 70.408 63.636 518 HA THR 66 HA THR 66 50.320 72.288 61.370 519 HB THR 66 HB THR 66 51.347 73.494 63.619 520 HG1 THR 66 1HG THR 66 49.329 71.886 64.643 521 1HG2 THR 66 1HG2 THR 66 48.609 73.391 62.328 522 2HG2 THR 66 2HG2 THR 66 49.393 74.770 63.237 523 3HG2 THR 66 3HG2 THR 66 48.479 73.493 64.143 524 H VAL 67 H VAL 67 52.361 73.614 61.475 525 HA VAL 67 HA VAL 67 54.584 71.588 62.000 526 HB VAL 67 HB VAL 67 54.235 73.775 59.910 527 1HG1 VAL 67 1HG1 VAL 67 56.912 72.389 60.628 528 2HG1 VAL 67 2HG1 VAL 67 56.498 74.151 60.981 529 3HG1 VAL 67 3HG1 VAL 67 56.607 73.545 59.248 530 1HG2 VAL 67 1HG2 VAL 67 55.578 71.586 58.742 531 2HG2 VAL 67 2HG2 VAL 67 53.778 71.857 58.760 532 3HG2 VAL 67 3HG2 VAL 67 54.636 70.845 60.057 533 H GLY 68 H GLY 68 55.786 71.740 63.528 534 1HA GLY 68 1HA GLY 68 57.298 72.862 64.961 535 2HA GLY 68 2HA GLY 68 56.779 74.503 64.233 536 H VAL 69 H VAL 69 53.888 73.184 64.814 537 HA VAL 69 HA VAL 69 53.899 74.336 67.579 538 HB VAL 69 HB VAL 69 51.636 73.980 65.525 539 1HG1 VAL 69 1HG1 VAL 69 50.789 76.095 66.838 540 2HG1 VAL 69 2HG1 VAL 69 51.689 75.368 68.220 541 3HG1 VAL 69 3HG1 VAL 69 50.511 74.328 67.349 542 1HG2 VAL 69 1HG2 VAL 69 52.022 76.482 65.004 543 2HG2 VAL 69 2HG2 VAL 69 53.242 75.377 64.372 544 3HG2 VAL 69 3HG2 VAL 69 53.588 76.417 65.870 545 H GLU 70 H GLU 70 53.886 72.928 68.927 546 HA GLU 70 HA GLU 70 53.384 70.203 68.584 547 1HB GLU 70 2HB GLU 70 52.733 71.583 71.236 548 2HB GLU 70 1HB GLU 70 53.327 69.886 70.923 549 1HG GLU 70 2HG GLU 70 55.379 70.586 71.338 550 2HG GLU 70 1HG GLU 70 55.262 71.714 69.816 551 H PHE 71 H PHE 71 52.023 68.805 69.115 552 HA PHE 71 HA PHE 71 49.290 69.583 69.855 553 1HB PHE 71 2HB PHE 71 49.032 70.289 67.617 554 2HB PHE 71 1HB PHE 71 49.650 68.722 66.904 555 HD1 PHE 71 HD1 PHE 71 47.193 69.523 69.679 556 HD2 PHE 71 HD2 PHE 71 47.812 67.729 65.872 557 HE1 PHE 71 HE1 PHE 71 44.903 68.686 69.708 558 HE2 PHE 71 HE2 PHE 71 45.503 66.823 65.835 559 HZ PHE 71 HZ PHE 71 44.018 67.344 67.849 560 H ASP 72 H ASP 72 48.259 68.118 70.849 561 HA ASP 72 HA ASP 72 49.234 65.412 71.071 562 1HB ASP 72 2HB ASP 72 46.518 66.622 71.954 563 2HB ASP 72 1HB ASP 72 47.323 65.110 72.662 564 H GLU 73 H GLU 73 48.913 63.980 69.502 565 HA GLU 73 HA GLU 73 46.345 63.980 67.883 566 1HB GLU 73 2HB GLU 73 49.107 63.655 67.321 567 2HB GLU 73 1HB GLU 73 48.562 61.969 67.280 568 1HG GLU 73 2HG GLU 73 46.702 62.522 65.739 569 2HG GLU 73 1HG GLU 73 47.164 64.372 65.905 570 H HIS 74 H HIS 74 45.716 61.771 67.243 571 HA HIS 74 HA HIS 74 45.931 59.735 69.413 572 1HB HIS 74 2HB HIS 74 43.493 61.421 68.940 573 2HB HIS 74 1HB HIS 74 43.225 59.652 68.723 574 HD1 HIS 74 HD1 HIS 74 43.374 62.112 71.438 575 HD2 HIS 74 HD2 HIS 74 44.420 58.084 70.922 576 HE1 HIS 74 HE1 HIS 74 43.575 61.035 73.789 577 HE2 HIS 74 HE2 HIS 74 44.209 58.624 73.456 578 H THR 75 H THR 75 46.211 57.805 68.619 579 HA THR 75 HA THR 75 45.615 57.287 65.741 580 HB THR 75 HB THR 75 47.135 55.535 65.845 581 HG1 THR 75 1HG THR 75 47.703 54.569 67.716 582 1HG2 THR 75 1HG2 THR 75 49.082 56.825 66.399 583 2HG2 THR 75 2HG2 THR 75 48.502 57.110 68.104 584 3HG2 THR 75 3HG2 THR 75 47.907 58.163 66.726 585 H LYS 76 H LYS 76 43.695 57.369 67.927 586 HA LYS 76 HA LYS 76 42.686 54.783 68.719 587 1HB LYS 76 2HB LYS 76 40.440 55.826 68.853 588 2HB LYS 76 1HB LYS 76 41.770 56.767 69.645 589 1HG LYS 76 2HG LYS 76 41.166 58.567 68.461 590 2HG LYS 76 1HG LYS 76 41.816 57.709 66.977 591 1HD LYS 76 2HD LYS 76 39.643 56.588 66.584 592 2HD LYS 76 1HD LYS 76 38.955 57.528 67.964 593 1HE LYS 76 2HE LYS 76 40.114 58.564 65.254 594 2HE LYS 76 1HE LYS 76 38.418 58.792 65.907 595 1HZ LYS 76 1HZ LYS 76 39.336 60.776 66.382 596 2HZ LYS 76 2HZ LYS 76 40.916 60.211 66.540 597 3HZ LYS 76 3HZ LYS 76 39.812 60.021 67.762 598 H GLY 77 H GLY 77 42.693 56.462 65.719 599 1HA GLY 77 1HA GLY 77 40.628 54.970 64.380 600 2HA GLY 77 2HA GLY 77 41.986 55.802 63.545 601 H LEU 78 H LEU 78 43.865 54.370 65.237 602 HA LEU 78 HA LEU 78 44.073 51.822 63.575 603 1HB LEU 78 2HB LEU 78 45.886 53.949 64.645 604 2HB LEU 78 1HB LEU 78 46.485 52.221 64.918 605 HG LEU 78 HG LEU 78 45.548 52.152 62.338 606 1HD1 LEU 78 1HD1 LEU 78 46.247 54.158 61.104 607 2HD1 LEU 78 2HD1 LEU 78 46.844 54.925 62.647 608 3HD1 LEU 78 3HD1 LEU 78 45.085 54.678 62.422 609 1HD2 LEU 78 1HD2 LEU 78 48.277 52.786 63.555 610 2HD2 LEU 78 2HD2 LEU 78 48.126 52.648 61.737 611 3HD2 LEU 78 3HD2 LEU 78 47.743 51.236 62.744 612 H ASP 79 H ASP 79 45.235 53.002 66.853 613 HA ASP 79 HA ASP 79 44.169 50.417 67.926 614 1HB ASP 79 2HB ASP 79 46.785 50.732 67.365 615 2HB ASP 79 1HB ASP 79 46.748 51.433 69.089 616 H GLY 80 H GLY 80 45.583 53.621 68.697 617 1HA GLY 80 1HA GLY 80 44.483 55.252 69.941 618 2HA GLY 80 2HA GLY 80 43.644 53.978 70.983 619 H ARG 81 H ARG 81 46.414 55.602 69.992 620 HA ARG 81 HA ARG 81 47.796 54.940 72.601 621 1HB ARG 81 2HB ARG 81 49.047 56.311 70.149 622 2HB ARG 81 1HB ARG 81 49.951 55.762 71.660 623 1HG ARG 81 2HG ARG 81 48.223 53.923 69.871 624 2HG ARG 81 1HG ARG 81 49.957 54.193 69.582 625 1HD ARG 81 2HD ARG 81 50.399 52.560 71.162 626 2HD ARG 81 1HD ARG 81 49.709 53.702 72.430 627 HE ARG 81 HE ARG 81 47.523 52.457 71.146 628 1HH1 ARG 81 2HH1 ARG 81 50.434 51.627 73.094 629 2HH1 ARG 81 1HH1 ARG 81 49.709 50.218 73.865 630 1HH2 ARG 81 2HH2 ARG 81 46.581 50.573 72.191 631 2HH2 ARG 81 1HH2 ARG 81 47.526 49.618 73.365 632 H ASN 82 H ASN 82 49.475 57.454 72.726 633 HA ASN 82 HA ASN 82 47.532 59.585 72.686 634 1HB ASN 82 2HB ASN 82 47.994 59.805 75.407 635 2HB ASN 82 1HB ASN 82 46.543 58.854 74.774 636 1HD2 ASN 82 2HD2 ASN 82 49.997 58.561 75.549 637 2HD2 ASN 82 1HD2 ASN 82 49.928 56.930 76.130 638 H VAL 83 H VAL 83 49.182 60.006 71.383 639 HA VAL 83 HA VAL 83 51.827 60.837 72.516 640 HB VAL 83 HB VAL 83 52.610 60.821 70.309 641 1HG1 VAL 83 1HG1 VAL 83 52.536 58.596 70.520 642 2HG1 VAL 83 2HG1 VAL 83 51.346 58.659 69.190 643 3HG1 VAL 83 3HG1 VAL 83 50.784 58.503 70.919 644 1HG2 VAL 83 1HG2 VAL 83 51.258 61.984 68.810 645 2HG2 VAL 83 2HG2 VAL 83 49.731 61.374 69.572 646 3HG2 VAL 83 3HG2 VAL 83 50.642 60.312 68.422 647 H LYS 84 H LYS 84 52.885 62.519 71.298 648 HA LYS 84 HA LYS 84 51.262 64.984 70.938 649 1HB LYS 84 2HB LYS 84 53.727 64.810 72.779 650 2HB LYS 84 1HB LYS 84 52.763 66.295 72.287 651 1HG LYS 84 2HG LYS 84 51.681 65.795 74.283 652 2HG LYS 84 1HG LYS 84 50.711 64.700 73.141 653 1HD LYS 84 2HD LYS 84 52.435 62.896 73.655 654 2HD LYS 84 1HD LYS 84 53.196 63.966 74.864 655 1HE LYS 84 2HE LYS 84 50.416 62.651 75.013 656 2HE LYS 84 1HE LYS 84 51.774 62.748 76.263 657 1HZ LYS 84 1HZ LYS 84 50.008 64.215 76.906 658 2HZ LYS 84 2HZ LYS 84 50.097 65.051 75.446 659 3HZ LYS 84 3HZ LYS 84 51.391 65.008 76.538 660 H THR 85 H THR 85 51.511 64.953 68.961 661 HA THR 85 HA THR 85 53.892 64.551 67.408 662 HB THR 85 HB THR 85 51.261 65.919 66.958 663 HG1 THR 85 1HG THR 85 52.264 63.375 66.889 664 1HG2 THR 85 1HG2 THR 85 53.327 66.357 65.256 665 2HG2 THR 85 2HG2 THR 85 51.838 65.717 64.491 666 3HG2 THR 85 3HG2 THR 85 53.238 64.597 64.857 667 H LEU 86 H LEU 86 55.470 65.581 66.888 668 HA LEU 86 HA LEU 86 55.410 68.558 66.728 669 1HB LEU 86 2HB LEU 86 56.400 67.716 69.095 670 2HB LEU 86 1HB LEU 86 57.760 67.094 68.062 671 HG LEU 86 HG LEU 86 57.117 69.873 67.310 672 1HD1 LEU 86 1HD1 LEU 86 58.103 70.787 69.455 673 2HD1 LEU 86 2HD1 LEU 86 58.292 69.122 70.086 674 3HD1 LEU 86 3HD1 LEU 86 56.617 69.721 69.828 675 1HD2 LEU 86 1HD2 LEU 86 59.131 68.369 66.710 676 2HD2 LEU 86 2HD2 LEU 86 59.712 68.649 68.428 677 3HD2 LEU 86 3HD2 LEU 86 59.478 70.037 67.249 678 H VAL 87 H VAL 87 56.211 69.213 65.002 679 HA VAL 87 HA VAL 87 58.399 67.618 63.759 680 HB VAL 87 HB VAL 87 55.774 67.479 62.766 681 1HG1 VAL 87 1HG1 VAL 87 55.605 69.994 62.611 682 2HG1 VAL 87 2HG1 VAL 87 55.313 69.026 61.116 683 3HG1 VAL 87 3HG1 VAL 87 56.900 69.881 61.298 684 1HG2 VAL 87 1HG2 VAL 87 58.086 67.958 60.810 685 2HG2 VAL 87 2HG2 VAL 87 56.623 66.930 60.561 686 3HG2 VAL 87 3HG2 VAL 87 57.961 66.431 61.707 687 H THR 88 H THR 88 59.792 68.682 62.503 688 HA THR 88 HA THR 88 59.607 71.634 62.355 689 HB THR 88 HB THR 88 62.169 71.392 63.251 690 HG1 THR 88 1HG THR 88 60.875 69.286 64.513 691 1HG2 THR 88 1HG2 THR 88 59.815 70.942 65.166 692 2HG2 THR 88 2HG2 THR 88 59.926 72.537 64.388 693 3HG2 THR 88 3HG2 THR 88 61.300 72.011 65.484 694 H TRP 89 H TRP 89 60.089 72.016 60.360 695 HA TRP 89 HA TRP 89 61.291 70.478 58.207 696 1HB TRP 89 2HB TRP 89 61.121 73.482 58.954 697 2HB TRP 89 1HB TRP 89 61.977 72.976 57.465 698 HD1 TRP 89 HD1 TRP 89 58.565 73.176 59.172 699 HE1 TRP 89 HE1 TRP 89 56.782 72.738 57.310 700 HE3 TRP 89 HE3 TRP 89 61.681 71.879 55.480 701 HZ2 TRP 89 HZ2 TRP 89 56.845 71.873 54.427 702 HZ3 TRP 89 HZ3 TRP 89 60.934 71.292 53.347 703 HH2 TRP 89 HH2 TRP 89 58.526 71.299 52.836 704 H GLU 90 H GLU 90 63.306 69.885 57.715 705 HA GLU 90 HA GLU 90 65.340 71.390 59.283 706 1HB GLU 90 2HB GLU 90 64.699 68.419 59.262 707 2HB GLU 90 1HB GLU 90 66.439 68.835 59.098 708 1HG GLU 90 2HG GLU 90 64.458 69.602 61.424 709 2HG GLU 90 1HG GLU 90 65.965 68.545 61.480 710 H GLY 91 H GLY 91 64.334 71.808 56.877 711 1HA GLY 91 1HA GLY 91 66.017 72.904 55.362 712 2HA GLY 91 2HA GLY 91 66.566 71.181 54.945 713 H ASN 92 H ASN 92 65.432 69.978 53.862 714 HA ASN 92 HA ASN 92 62.879 70.901 52.518 715 1HB ASN 92 2HB ASN 92 63.308 69.057 50.820 716 2HB ASN 92 1HB ASN 92 64.636 70.386 50.878 717 1HD2 ASN 92 2HD2 ASN 92 65.227 68.144 49.710 718 2HD2 ASN 92 1HD2 ASN 92 66.345 67.210 50.664 719 H THR 93 H THR 93 64.035 69.378 55.022 720 HA THR 93 HA THR 93 62.402 66.930 55.031 721 HB THR 93 HB THR 93 63.862 67.704 57.542 722 HG1 THR 93 1HG THR 93 65.042 67.556 55.032 723 1HG2 THR 93 1HG2 THR 93 64.782 65.316 55.999 724 2HG2 THR 93 2HG2 THR 93 62.954 65.352 56.040 725 3HG2 THR 93 3HG2 THR 93 63.901 65.303 57.584 726 H LEU 94 H LEU 94 61.802 66.595 57.589 727 HA LEU 94 HA LEU 94 60.288 68.634 58.922 728 1HB LEU 94 2HB LEU 94 57.965 67.642 58.401 729 2HB LEU 94 1HB LEU 94 58.689 68.765 57.179 730 HG LEU 94 HG LEU 94 59.620 66.043 56.764 731 1HD1 LEU 94 1HD1 LEU 94 57.096 65.723 55.529 732 2HD1 LEU 94 2HD1 LEU 94 56.621 66.499 57.102 733 3HD1 LEU 94 3HD1 LEU 94 57.510 64.881 57.071 734 1HD2 LEU 94 1HD2 LEU 94 58.628 66.395 54.450 735 2HD2 LEU 94 2HD2 LEU 94 59.873 67.568 54.957 736 3HD2 LEU 94 3HD2 LEU 94 58.108 68.042 55.027 737 H VAL 95 H VAL 95 61.992 67.097 59.788 738 HA VAL 95 HA VAL 95 61.422 64.479 60.592 739 HB VAL 95 HB VAL 95 62.553 66.814 62.322 740 1HG1 VAL 95 1HG1 VAL 95 62.117 64.117 63.098 741 2HG1 VAL 95 2HG1 VAL 95 63.164 65.334 63.900 742 3HG1 VAL 95 3HG1 VAL 95 63.863 64.197 62.668 743 1HG2 VAL 95 1HG2 VAL 95 64.828 65.387 61.422 744 2HG2 VAL 95 2HG2 VAL 95 64.133 66.829 60.496 745 3HG2 VAL 95 3HG2 VAL 95 63.691 65.137 60.030 746 H CYS 96 H CYS 96 59.705 63.805 61.501 747 HA CYS 96 HA CYS 96 58.364 65.416 63.635 748 1HB CYS 96 2HB CYS 96 57.254 63.748 61.565 749 2HB CYS 96 1HB CYS 96 57.107 62.727 63.026 750 HG CYS 96 HG CYS 96 55.650 64.117 64.455 751 H VAL 97 H VAL 97 57.417 63.773 65.295 752 HA VAL 97 HA VAL 97 58.769 61.444 66.201 753 HB VAL 97 HB VAL 97 59.423 63.197 68.335 754 1HG1 VAL 97 1HG1 VAL 97 60.918 61.642 66.154 755 2HG1 VAL 97 2HG1 VAL 97 61.247 61.594 67.932 756 3HG1 VAL 97 3HG1 VAL 97 61.832 63.010 66.956 757 1HG2 VAL 97 1HG2 VAL 97 60.581 64.488 65.848 758 2HG2 VAL 97 2HG2 VAL 97 60.638 65.023 67.578 759 3HG2 VAL 97 3HG2 VAL 97 59.067 65.051 66.658 760 H GLN 98 H GLN 98 57.457 60.440 67.312 761 HA GLN 98 HA GLN 98 55.109 61.793 68.572 762 1HB GLN 98 2HB GLN 98 55.668 59.278 67.313 763 2HB GLN 98 1HB GLN 98 55.033 58.919 69.026 764 1HG GLN 98 2HG GLN 98 53.078 60.407 68.481 765 2HG GLN 98 1HG GLN 98 53.680 60.633 66.789 766 1HE2 GLN 98 1HE2 GLN 98 51.722 59.703 66.058 767 2HE2 GLN 98 2HE2 GLN 98 51.445 57.959 66.127 768 H LYS 99 H LYS 99 54.457 61.381 70.599 769 HA LYS 99 HA LYS 99 56.536 60.328 72.494 770 1HB LYS 99 2HB LYS 99 54.764 62.783 72.919 771 2HB LYS 99 1HB LYS 99 56.004 62.218 74.069 772 1HG LYS 99 2HG LYS 99 56.923 62.834 71.204 773 2HG LYS 99 1HG LYS 99 56.421 64.270 72.156 774 1HD LYS 99 2HD LYS 99 58.245 63.779 73.768 775 2HD LYS 99 1HD LYS 99 58.335 62.042 73.211 776 1HE LYS 99 2HE LYS 99 59.685 62.671 71.443 777 2HE LYS 99 1HE LYS 99 58.725 64.187 71.109 778 1HZ LYS 99 1HZ LYS 99 59.808 64.972 73.273 779 2HZ LYS 99 2HZ LYS 99 60.875 64.820 71.978 780 3HZ LYS 99 3HZ LYS 99 60.840 63.672 73.183 781 H GLY 100 H GLY 100 54.597 58.694 71.968 782 1HA GLY 100 1HA GLY 100 52.392 59.069 74.055 783 2HA GLY 100 2HA GLY 100 52.181 58.085 72.567 784 H GLU 101 H GLU 101 54.697 58.686 74.806 785 HA GLU 101 HA GLU 101 55.717 57.634 76.528 786 1HB GLU 101 2HB GLU 101 54.673 55.723 77.522 787 2HB GLU 101 1HB GLU 101 53.395 56.019 76.300 788 1HG GLU 101 2HG GLU 101 54.833 54.472 74.724 789 2HG GLU 101 1HG GLU 101 55.735 54.048 76.273 790 H LYS 102 H LYS 102 55.792 57.589 73.487 791 HA LYS 102 HA LYS 102 57.798 55.449 72.841 792 1HB LYS 102 2HB LYS 102 56.324 57.678 71.396 793 2HB LYS 102 1HB LYS 102 57.799 56.927 70.622 794 1HG LYS 102 2HG LYS 102 56.020 55.493 69.794 795 2HG LYS 102 1HG LYS 102 56.517 54.636 71.302 796 1HD LYS 102 2HD LYS 102 54.376 54.803 71.988 797 2HD LYS 102 1HD LYS 102 54.728 56.604 72.183 798 1HE LYS 102 2HE LYS 102 52.680 56.475 70.880 799 2HE LYS 102 1HE LYS 102 54.126 56.917 69.844 800 1HZ LYS 102 1HZ LYS 102 52.799 55.278 68.719 801 2HZ LYS 102 2HZ LYS 102 52.693 54.285 70.048 802 3HZ LYS 102 3HZ LYS 102 54.121 54.442 69.239 803 H GLU 103 H GLU 103 57.737 58.892 72.183 804 HA GLU 103 HA GLU 103 59.374 60.519 72.071 805 1HB GLU 103 2HB GLU 103 61.222 58.855 73.798 806 2HB GLU 103 1HB GLU 103 61.013 60.680 73.726 807 1HG GLU 103 2HG GLU 103 58.925 60.669 74.731 808 2HG GLU 103 1HG GLU 103 58.994 58.778 74.955 809 H ASN 104 H ASN 104 59.433 58.154 70.368 810 HA ASN 104 HA ASN 104 61.942 58.827 69.095 811 1HB ASN 104 2HB ASN 104 62.553 57.214 70.972 812 2HB ASN 104 1HB ASN 104 61.604 55.844 70.143 813 1HD2 ASN 104 2HD2 ASN 104 63.147 54.620 69.574 814 2HD2 ASN 104 1HD2 ASN 104 64.585 55.108 68.462 815 H ARG 105 H ARG 105 59.096 58.891 68.297 816 HA ARG 105 HA ARG 105 59.362 56.917 66.119 817 1HB ARG 105 2HB ARG 105 57.473 56.001 67.606 818 2HB ARG 105 1HB ARG 105 56.705 57.624 67.448 819 1HG ARG 105 2HG ARG 105 57.075 57.155 64.797 820 2HG ARG 105 1HG ARG 105 56.990 55.430 65.379 821 1HD ARG 105 2HD ARG 105 54.846 55.850 66.483 822 2HD ARG 105 1HD ARG 105 54.992 57.643 66.071 823 HE ARG 105 HE ARG 105 55.120 56.465 63.625 824 1HH1 ARG 105 1HH2 ARG 105 52.894 55.875 66.449 825 2HH1 ARG 105 2HH2 ARG 105 51.569 55.374 65.445 826 1HH2 ARG 105 2HH1 ARG 105 53.292 55.791 62.366 827 2HH2 ARG 105 1HH1 ARG 105 51.765 55.337 63.174 828 H GLY 106 H GLY 106 60.264 58.246 64.980 829 1HA GLY 106 1HA GLY 106 58.692 60.673 63.940 830 2HA GLY 106 2HA GLY 106 60.466 60.669 64.194 831 H TRP 107 H TRP 107 58.936 61.136 61.990 832 HA TRP 107 HA TRP 107 60.078 59.263 59.939 833 1HB TRP 107 2HB TRP 107 58.125 60.924 58.659 834 2HB TRP 107 1HB TRP 107 58.121 59.136 58.861 835 HD1 TRP 107 HD1 TRP 107 57.216 58.475 61.738 836 HE1 TRP 107 HE1 TRP 107 55.274 59.521 62.936 837 HE3 TRP 107 HE3 TRP 107 56.841 62.520 58.872 838 HZ2 TRP 107 HZ2 TRP 107 53.768 61.858 62.629 839 HZ3 TRP 107 HZ3 TRP 107 55.054 64.218 59.354 840 HH2 TRP 107 HH2 TRP 107 53.596 63.810 61.220 841 H LYS 108 H LYS 108 61.331 59.837 58.541 842 HA LYS 108 HA LYS 108 62.011 62.747 58.149 843 1HB LYS 108 2HB LYS 108 63.845 60.252 57.902 844 2HB LYS 108 1HB LYS 108 64.418 61.990 57.943 845 1HG LYS 108 2HG LYS 108 62.937 61.946 60.205 846 2HG LYS 108 1HG LYS 108 63.510 60.166 60.162 847 1HD LYS 108 2HD LYS 108 65.863 60.778 60.218 848 2HD LYS 108 1HD LYS 108 65.469 62.477 59.829 849 1HE LYS 108 2HE LYS 108 65.255 62.899 62.050 850 2HE LYS 108 1HE LYS 108 63.979 61.549 62.208 851 1HZ LYS 108 1HZ LYS 108 65.676 60.909 63.596 852 2HZ LYS 108 2HZ LYS 108 66.885 61.591 62.701 853 3HZ LYS 108 3HZ LYS 108 66.247 60.101 62.228 854 H GLN 109 H GLN 109 60.326 62.538 56.793 855 HA GLN 109 HA GLN 109 60.940 61.419 54.040 856 1HB GLN 109 2HB GLN 109 58.700 61.410 55.320 857 2HB GLN 109 1HB GLN 109 58.507 63.118 54.750 858 1HG GLN 109 2HG GLN 109 58.465 62.312 52.479 859 2HG GLN 109 1HG GLN 109 59.406 60.773 52.936 860 1HE2 GLN 109 1HE2 GLN 109 58.174 59.254 52.605 861 2HE2 GLN 109 2HE2 GLN 109 56.421 59.034 53.208 862 H TRP 110 H TRP 110 62.397 62.983 52.845 863 HA TRP 110 HA TRP 110 61.717 65.894 53.477 864 1HB TRP 110 2HB TRP 110 63.930 66.344 53.143 865 2HB TRP 110 1HB TRP 110 63.900 64.779 54.130 866 HD1 TRP 110 HD1 TRP 110 64.335 65.811 50.403 867 HE1 TRP 110 HE1 TRP 110 65.716 63.932 49.270 868 HE3 TRP 110 HE3 TRP 110 64.526 62.910 54.371 869 HZ2 TRP 110 HZ2 TRP 110 66.729 61.346 50.337 870 HZ3 TRP 110 HZ3 TRP 110 65.627 60.769 54.399 871 HH2 TRP 110 HH2 TRP 110 66.727 59.998 52.399 872 H VAL 111 H VAL 111 60.880 63.677 51.313 873 HA VAL 111 HA VAL 111 60.022 63.688 49.125 874 HB VAL 111 HB VAL 111 59.950 66.703 49.772 875 1HG1 VAL 111 1HG1 VAL 111 59.168 65.360 47.375 876 2HG1 VAL 111 2HG1 VAL 111 58.968 67.118 47.843 877 3HG1 VAL 111 3HG1 VAL 111 57.686 65.928 48.192 878 1HG2 VAL 111 1HG2 VAL 111 58.811 64.748 51.332 879 2HG2 VAL 111 2HG2 VAL 111 57.569 64.887 49.997 880 3HG2 VAL 111 3HG2 VAL 111 58.056 66.380 50.949 881 H GLU 112 H GLU 112 60.946 63.226 47.373 882 HA GLU 112 HA GLU 112 63.054 65.041 46.349 883 1HB GLU 112 2HB GLU 112 62.756 62.011 46.105 884 2HB GLU 112 1HB GLU 112 63.831 63.005 45.038 885 1HG GLU 112 2HG GLU 112 63.812 63.355 48.069 886 2HG GLU 112 1HG GLU 112 64.842 61.991 47.260 887 H GLY 113 H GLY 113 61.136 62.467 44.885 888 1HA GLY 113 1HA GLY 113 59.250 63.715 43.273 889 2HA GLY 113 2HA GLY 113 60.752 63.996 42.304 890 H ASP 114 H ASP 114 58.653 61.653 43.836 891 HA ASP 114 HA ASP 114 57.965 59.496 43.232 892 1HB ASP 114 2HB ASP 114 57.808 60.545 40.849 893 2HB ASP 114 1HB ASP 114 59.474 59.800 40.508 894 H LYS 115 H LYS 115 59.696 59.665 44.857 895 HA LYS 115 HA LYS 115 60.782 57.365 45.413 896 1HB LYS 115 2HB LYS 115 62.528 58.556 43.154 897 2HB LYS 115 1HB LYS 115 63.325 57.754 44.586 898 1HG LYS 115 2HG LYS 115 60.887 56.338 43.313 899 2HG LYS 115 1HG LYS 115 62.517 56.293 42.499 900 1HD LYS 115 2HD LYS 115 63.430 55.109 44.255 901 2HD LYS 115 1HD LYS 115 62.559 56.071 45.500 902 1HE LYS 115 2HE LYS 115 60.360 54.829 44.551 903 2HE LYS 115 1HE LYS 115 61.581 53.713 43.807 904 1HZ LYS 115 1HZ LYS 115 61.242 52.675 45.851 905 2HZ LYS 115 2HZ LYS 115 60.929 54.103 46.708 906 3HZ LYS 115 3HZ LYS 115 62.466 53.715 46.293 907 H LEU 116 H LEU 116 60.195 58.468 47.222 908 HA LEU 116 HA LEU 116 62.365 60.401 47.953 909 1HB LEU 116 2HB LEU 116 60.493 60.316 50.113 910 2HB LEU 116 1HB LEU 116 60.864 61.666 48.922 911 HG LEU 116 HG LEU 116 58.915 59.411 48.256 912 1HD1 LEU 116 1HD1 LEU 116 57.091 60.970 49.009 913 2HD1 LEU 116 2HD1 LEU 116 58.361 62.178 49.487 914 3HD1 LEU 116 3HD1 LEU 116 58.236 60.544 50.332 915 1HD2 LEU 116 1HD2 LEU 116 58.340 62.089 47.164 916 2HD2 LEU 116 2HD2 LEU 116 58.656 60.513 46.265 917 3HD2 LEU 116 3HD2 LEU 116 60.010 61.635 46.728 918 H TYR 117 H TYR 117 62.620 60.335 50.631 919 HA TYR 117 HA TYR 117 62.949 57.434 51.190 920 1HB TYR 117 2HB TYR 117 65.111 59.487 50.708 921 2HB TYR 117 1HB TYR 117 65.335 58.592 52.243 922 HD1 TYR 117 HD1 TYR 117 67.302 58.526 49.946 923 HD2 TYR 117 HD2 TYR 117 63.908 55.861 50.512 924 HE1 TYR 117 HE1 TYR 117 68.373 56.810 48.569 925 HE2 TYR 117 HE2 TYR 117 64.995 54.224 49.167 926 HH TYR 117 HH TYR 117 67.170 53.615 48.268 927 H LEU 118 H LEU 118 61.295 57.565 52.364 928 HA LEU 118 HA LEU 118 61.581 59.449 54.667 929 1HB LEU 118 2HB LEU 118 59.341 59.288 54.207 930 2HB LEU 118 1HB LEU 118 59.326 57.504 53.807 931 HG LEU 118 HG LEU 118 59.884 57.275 56.508 932 1HD1 LEU 118 1HD1 LEU 118 59.975 60.005 56.153 933 2HD1 LEU 118 2HD1 LEU 118 59.695 59.169 57.693 934 3HD1 LEU 118 3HD1 LEU 118 58.284 59.824 56.676 935 1HD2 LEU 118 1HD2 LEU 118 57.130 58.209 56.480 936 2HD2 LEU 118 2HD2 LEU 118 57.740 56.517 56.315 937 3HD2 LEU 118 3HD2 LEU 118 57.454 57.602 54.825 938 H GLU 119 H GLU 119 62.028 58.894 56.845 939 HA GLU 119 HA GLU 119 63.186 56.100 57.106 940 1HB GLU 119 2HB GLU 119 64.647 58.391 58.523 941 2HB GLU 119 1HB GLU 119 65.117 56.754 57.999 942 1HG GLU 119 2HG GLU 119 64.337 58.614 55.719 943 2HG GLU 119 1HG GLU 119 65.867 58.908 56.635 944 H LEU 120 H LEU 120 62.034 55.010 58.528 945 HA LEU 120 HA LEU 120 60.741 56.648 60.678 946 1HB LEU 120 2HB LEU 120 60.320 53.947 59.433 947 2HB LEU 120 1HB LEU 120 59.815 54.150 61.185 948 HG LEU 120 HG LEU 120 58.370 54.743 58.855 949 1HD1 LEU 120 1HD1 LEU 120 58.094 55.514 61.807 950 2HD1 LEU 120 2HD1 LEU 120 56.977 54.492 60.710 951 3HD1 LEU 120 3HD1 LEU 120 56.945 56.287 60.636 952 1HD2 LEU 120 1HD2 LEU 120 58.952 57.490 60.102 953 2HD2 LEU 120 2HD2 LEU 120 58.056 57.149 58.583 954 3HD2 LEU 120 3HD2 LEU 120 59.818 56.797 58.654 955 H THR 121 H THR 121 61.082 56.444 62.627 956 HA THR 121 HA THR 121 63.441 54.690 63.541 957 HB THR 121 HB THR 121 63.680 56.750 65.250 958 HG1 THR 121 1HG THR 121 62.769 58.617 63.824 959 1HG2 THR 121 1HG2 THR 121 65.041 56.262 62.796 960 2HG2 THR 121 2HG2 THR 121 65.256 57.816 63.696 961 3HG2 THR 121 3HG2 THR 121 64.163 57.734 62.287 962 H CYS 122 H CYS 122 60.256 54.590 63.539 963 HA CYS 122 HA CYS 122 59.463 54.660 66.299 964 1HB CYS 122 2HB CYS 122 57.538 53.522 65.398 965 2HB CYS 122 1HB CYS 122 58.143 54.478 64.064 966 HG CYS 122 HG CYS 122 57.424 52.341 62.928 967 H GLY 123 H GLY 123 58.963 53.351 67.670 968 1HA GLY 123 1HA GLY 123 59.410 51.773 69.302 969 2HA GLY 123 2HA GLY 123 59.298 50.615 67.916 970 H ASP 124 H ASP 124 61.117 52.336 70.160 971 HA ASP 124 HA ASP 124 63.553 52.699 70.372 972 1HB ASP 124 2HB ASP 124 62.407 51.378 72.200 973 2HB ASP 124 1HB ASP 124 62.772 49.845 71.267 974 H GLN 125 H GLN 125 63.554 52.483 67.916 975 HA GLN 125 HA GLN 125 66.082 51.118 67.312 976 1HB GLN 125 2HB GLN 125 63.999 49.235 67.462 977 2HB GLN 125 1HB GLN 125 63.951 49.624 65.740 978 1HG GLN 125 2HG GLN 125 65.968 48.743 65.203 979 2HG GLN 125 1HG GLN 125 66.699 49.275 66.825 980 1HE2 GLN 125 2HE2 GLN 125 65.171 46.818 65.043 981 2HE2 GLN 125 1HE2 GLN 125 65.028 45.592 66.480 982 H VAL 126 H VAL 126 65.841 50.660 64.715 983 HA VAL 126 HA VAL 126 64.665 53.139 63.475 984 HB VAL 126 HB VAL 126 67.574 52.030 62.970 985 1HG1 VAL 126 1HG1 VAL 126 66.187 54.737 62.352 986 2HG1 VAL 126 2HG1 VAL 126 66.195 53.401 61.149 987 3HG1 VAL 126 3HG1 VAL 126 67.796 54.171 61.736 988 1HG2 VAL 126 1HG2 VAL 126 68.372 53.907 64.272 989 2HG2 VAL 126 2HG2 VAL 126 67.162 52.983 65.263 990 3HG2 VAL 126 3HG2 VAL 126 66.685 54.549 64.508 991 H CYS 127 H CYS 127 63.972 52.988 61.485 992 HA CYS 127 HA CYS 127 64.411 50.468 59.894 993 1HB CYS 127 2HB CYS 127 61.620 51.652 59.670 994 2HB CYS 127 1HB CYS 127 62.016 50.004 60.082 995 HG CYS 127 HG CYS 127 61.859 50.039 62.454 996 H ARG 128 H ARG 128 63.185 51.042 57.673 997 HA ARG 128 HA ARG 128 63.699 53.965 57.185 998 1HB ARG 128 2HB ARG 128 65.880 53.406 56.619 999 2HB ARG 128 1HB ARG 128 65.420 51.705 56.069 1000 1HG ARG 128 2HG ARG 128 64.537 52.465 54.019 1001 2HG ARG 128 1HG ARG 128 64.437 54.177 54.544 1002 1HD ARG 128 2HD ARG 128 66.467 53.074 52.954 1003 2HD ARG 128 1HD ARG 128 66.547 54.645 53.962 1004 HE ARG 128 HE ARG 128 67.522 52.876 55.722 1005 1HH1 ARG 128 2HH1 ARG 128 68.185 53.170 52.163 1006 2HH1 ARG 128 1HH1 ARG 128 69.814 52.543 52.364 1007 1HH2 ARG 128 1HH2 ARG 128 69.680 52.107 55.835 1008 2HH2 ARG 128 2HH2 ARG 128 70.619 51.999 54.370 1009 H GLN 129 H GLN 129 62.085 54.754 56.182 1010 HA GLN 129 HA GLN 129 60.409 52.822 54.778 1011 1HB GLN 129 2HB GLN 129 60.114 55.363 55.881 1012 2HB GLN 129 1HB GLN 129 60.015 55.749 54.086 1013 1HG GLN 129 2HG GLN 129 57.733 55.203 54.479 1014 2HG GLN 129 1HG GLN 129 58.444 53.527 54.187 1015 1HE2 GLN 129 2HE2 GLN 129 59.749 53.042 56.593 1016 2HE2 GLN 129 1HE2 GLN 129 58.597 53.081 57.914 1017 H VAL 130 H VAL 130 59.444 53.348 52.520 1018 HA VAL 130 HA VAL 130 61.428 54.301 50.564 1019 HB VAL 130 HB VAL 130 60.470 51.339 50.388 1020 1HG1 VAL 130 1HG1 VAL 130 60.875 52.789 48.257 1021 2HG1 VAL 130 2HG1 VAL 130 61.872 51.270 48.392 1022 3HG1 VAL 130 3HG1 VAL 130 62.584 52.892 48.813 1023 1HG2 VAL 130 1HG2 VAL 130 63.327 52.266 50.709 1024 2HG2 VAL 130 2HG2 VAL 130 62.621 50.587 50.871 1025 3HG2 VAL 130 3HG2 VAL 130 62.350 51.803 52.158 1026 H PHE 131 H PHE 131 60.166 55.653 49.902 1027 HA PHE 131 HA PHE 131 57.335 55.130 48.995 1028 1HB PHE 131 2HB PHE 131 59.089 57.464 49.924 1029 2HB PHE 131 1HB PHE 131 57.807 57.824 48.656 1030 HD1 PHE 131 HD1 PHE 131 57.777 55.457 51.584 1031 HD2 PHE 131 HD2 PHE 131 56.130 58.885 49.655 1032 HE1 PHE 131 HE1 PHE 131 55.952 55.484 53.348 1033 HE2 PHE 131 HE2 PHE 131 54.323 58.896 51.430 1034 HZ PHE 131 HZ PHE 131 54.265 57.217 53.225 1035 H LYS 132 H LYS 132 56.721 56.617 47.255 1036 HA LYS 132 HA LYS 132 58.744 57.213 45.236 1037 1HB LYS 132 2HB LYS 132 57.808 55.381 43.634 1038 2HB LYS 132 1HB LYS 132 58.425 54.628 45.166 1039 1HG LYS 132 2HG LYS 132 56.308 54.210 46.002 1040 2HG LYS 132 1HG LYS 132 55.431 55.376 44.899 1041 1HD LYS 132 2HD LYS 132 56.281 53.969 42.981 1042 2HD LYS 132 1HD LYS 132 56.757 52.691 44.207 1043 1HE LYS 132 2HE LYS 132 54.259 52.823 44.954 1044 2HE LYS 132 1HE LYS 132 53.951 53.724 43.417 1045 1HZ LYS 132 1HZ LYS 132 55.035 50.946 43.849 1046 2HZ LYS 132 2HZ LYS 132 54.957 51.682 42.356 1047 3HZ LYS 132 3HZ LYS 132 53.572 51.299 43.182 1048 H LYS 133 H LYS 133 56.986 57.120 43.084 1049 HA LYS 133 HA LYS 133 55.110 58.274 42.101 1050 1HB LYS 133 2HB LYS 133 53.996 56.489 43.235 1051 2HB LYS 133 1HB LYS 133 54.017 57.377 44.802 1052 1HG LYS 133 2HG LYS 133 51.842 57.368 43.456 1053 2HG LYS 133 1HG LYS 133 52.409 59.086 43.701 1054 1HD LYS 133 2HD LYS 133 53.342 58.882 41.230 1055 2HD LYS 133 1HD LYS 133 52.526 57.277 41.236 1056 1HE LYS 133 2HE LYS 133 50.725 59.108 42.474 1057 2HE LYS 133 1HE LYS 133 51.359 59.849 40.881 1058 1HZ LYS 133 1HZ LYS 133 50.857 57.264 40.245 1059 2HZ LYS 133 2HZ LYS 133 49.785 58.446 39.922 1060 3HZ LYS 133 3HZ LYS 133 49.610 57.529 41.314 1061 H LYS 134 H LYS 134 53.527 60.229 42.582 1062 HA LYS 134 HA LYS 134 54.840 62.085 44.512 1063 1HB LYS 134 2HB LYS 134 54.817 63.544 42.028 1064 2HB LYS 134 1HB LYS 134 56.199 62.945 42.986 1065 1HG LYS 134 2HG LYS 134 56.223 62.218 40.561 1066 2HG LYS 134 1HG LYS 134 56.012 60.711 41.590 1067 1HD LYS 134 2HD LYS 134 54.283 60.348 40.225 1068 2HD LYS 134 1HD LYS 134 53.430 61.640 41.179 1069 1HE LYS 134 2HE LYS 134 54.730 63.355 39.661 1070 2HE LYS 134 1HE LYS 134 54.785 61.924 38.468 1071 1HZ LYS 134 1HZ LYS 134 52.451 61.896 38.446 1072 2HZ LYS 134 2HZ LYS 134 52.863 63.482 38.137 1073 3HZ LYS 134 3HZ LYS 134 52.304 63.032 39.631 1074 1H2 RTL 135 1H2 RET 135 46.438 51.588 58.104 1075 2H2 RTL 135 2H2 RET 135 47.126 51.992 59.609 1076 1H3 RTL 135 1H3 RET 135 46.661 49.578 59.598 1077 2H3 RTL 135 2H3 RET 135 47.437 49.355 58.120 1078 1H4 RTL 135 1H4 RET 135 49.246 48.756 59.363 1079 2H4 RTL 135 2H4 RET 135 48.679 49.561 60.772 1080 H7 RTL 135 H7 RET 135 51.756 52.324 58.137 1081 H8 RTL 135 H8 RET 135 49.827 54.470 59.317 1082 H10 RTL 135 H10 RET 135 50.700 56.274 57.316 1083 H11 RTL 135 H11 RET 135 53.589 56.498 57.241 1084 H12 RTL 135 H12 RET 135 51.939 58.880 58.348 1085 H14 RTL 135 H14 RET 135 53.071 60.431 56.354 1086 1H15 RTL 135 1H15 RET 135 55.970 60.486 56.158 1087 2H15 RTL 135 2H15 RET 135 55.473 61.444 57.623 1088 HO1 RTL 135 H51 RET 135 55.186 62.911 56.340 1089 1H16 RTL 135 1H16 RET 135 48.773 50.214 56.715 1090 2H16 RTL 135 2H16 RET 135 49.738 51.627 56.211 1091 3H16 RTL 135 3H16 RET 135 47.985 51.580 55.937 1092 1H17 RTL 135 1H17 RET 135 47.423 53.323 56.828 1093 2H17 RTL 135 2H17 RET 135 49.182 53.563 56.715 1094 3H17 RTL 135 3H17 RET 135 48.302 54.062 58.173 1095 1H18 RTL 135 1H18 RET 135 51.125 51.150 61.232 1096 2H18 RTL 135 2H18 RET 135 51.998 50.514 59.834 1097 3H18 RTL 135 3H18 RET 135 51.030 49.436 60.856 1098 1H19 RTL 135 1H19 RET 135 52.796 53.987 60.204 1099 2H19 RTL 135 2H19 RET 135 53.395 55.611 59.904 1100 3H19 RTL 135 3H19 RET 135 53.763 54.255 58.750 1101 1H20 RTL 135 1H20 RET 135 55.158 59.223 59.452 1102 2H20 RTL 135 2H20 RET 135 56.072 58.730 58.024 1103 3H20 RTL 135 3H20 RET 135 54.972 57.583 58.822 Start of MODEL 16 1 1H MET 1 1H MET 1 65.436 78.470 46.597 2 2H MET 1 2H MET 1 64.769 77.372 45.523 3 3H MET 1 3H MET 1 66.408 77.290 45.972 4 HA MET 1 HA MET 1 65.598 75.592 47.252 5 1HB MET 1 2HB MET 1 66.292 78.089 48.691 6 2HB MET 1 1HB MET 1 64.735 77.410 49.383 7 1HG MET 1 2HG MET 1 65.709 75.271 49.874 8 2HG MET 1 1HG MET 1 67.112 75.499 48.916 9 1HE MET 1 1HE MET 1 69.291 75.622 50.577 10 2HE MET 1 2HE MET 1 68.005 74.548 51.326 11 3HE MET 1 3HE MET 1 68.826 75.582 52.353 12 H THR 2 H THR 2 63.929 74.514 47.661 13 HA THR 2 HA THR 2 61.426 75.573 48.621 14 HB THR 2 HB THR 2 60.353 74.370 46.311 15 HG1 THR 2 1HG THR 2 62.766 74.845 45.699 16 1HG2 THR 2 1HG2 THR 2 61.098 77.403 46.108 17 2HG2 THR 2 2HG2 THR 2 60.304 76.904 47.621 18 3HG2 THR 2 3HG2 THR 2 59.488 76.645 46.021 19 H LYS 3 H LYS 3 59.610 73.804 48.111 20 HA LYS 3 HA LYS 3 61.037 71.181 48.572 21 1HB LYS 3 2HB LYS 3 58.595 71.695 50.248 22 2HB LYS 3 1HB LYS 3 60.157 70.909 50.758 23 1HG LYS 3 2HG LYS 3 60.167 72.907 51.956 24 2HG LYS 3 1HG LYS 3 61.092 73.380 50.510 25 1HD LYS 3 2HD LYS 3 59.418 74.799 49.746 26 2HD LYS 3 1HD LYS 3 58.082 73.622 50.174 27 1HE LYS 3 2HE LYS 3 58.065 75.825 51.422 28 2HE LYS 3 1HE LYS 3 58.171 74.350 52.491 29 1HZ LYS 3 1HZ LYS 3 59.878 76.018 53.150 30 2HZ LYS 3 2HZ LYS 3 60.445 76.115 51.617 31 3HZ LYS 3 3HZ LYS 3 60.621 74.694 52.569 32 H ASP 4 H ASP 4 57.854 72.789 47.814 33 HA ASP 4 HA ASP 4 56.032 71.903 46.629 34 1HB ASP 4 2HB ASP 4 58.057 71.447 44.890 35 2HB ASP 4 1HB ASP 4 57.926 69.751 45.577 36 H GLN 5 H GLN 5 55.843 71.253 49.102 37 HA GLN 5 HA GLN 5 56.209 68.490 49.805 38 1HB GLN 5 2HB GLN 5 54.669 71.013 50.711 39 2HB GLN 5 1HB GLN 5 54.056 69.379 51.307 40 1HG GLN 5 2HG GLN 5 56.847 69.210 51.629 41 2HG GLN 5 1HG GLN 5 56.381 70.953 52.096 42 1HE2 GLN 5 1HE2 GLN 5 55.837 67.503 52.796 43 2HE2 GLN 5 2HE2 GLN 5 55.147 67.794 54.386 44 H ASN 6 H ASN 6 53.372 70.320 49.061 45 HA ASN 6 HA ASN 6 51.433 68.424 48.843 46 1HB ASN 6 2HB ASN 6 50.916 69.691 46.358 47 2HB ASN 6 1HB ASN 6 50.389 70.304 48.018 48 1HD2 ASN 6 1HD2 ASN 6 51.669 71.494 49.212 49 2HD2 ASN 6 2HD2 ASN 6 52.697 72.857 48.363 50 H GLY 7 H GLY 7 51.912 66.396 48.427 51 1HA GLY 7 1HA GLY 7 51.767 65.577 45.607 52 2HA GLY 7 2HA GLY 7 53.364 65.346 46.349 53 H THR 8 H THR 8 51.994 63.458 45.358 54 HA THR 8 HA THR 8 50.865 61.775 47.470 55 HB THR 8 HB THR 8 50.968 61.136 44.407 56 HG1 THR 8 1HG THR 8 48.728 62.371 44.992 57 1HG2 THR 8 1HG2 THR 8 49.449 60.344 46.931 58 2HG2 THR 8 2HG2 THR 8 49.745 59.312 45.459 59 3HG2 THR 8 3HG2 THR 8 48.418 60.546 45.422 60 H TRP 9 H TRP 9 51.553 59.704 47.598 61 HA TRP 9 HA TRP 9 54.041 58.803 46.329 62 1HB TRP 9 2HB TRP 9 54.951 58.790 49.024 63 2HB TRP 9 1HB TRP 9 55.729 59.472 47.581 64 HD1 TRP 9 HD1 TRP 9 52.601 60.321 49.744 65 HE1 TRP 9 HE1 TRP 9 52.468 62.819 50.242 66 HE3 TRP 9 HE3 TRP 9 56.708 61.658 47.288 67 HZ2 TRP 9 HZ2 TRP 9 53.986 64.976 49.614 68 HZ3 TRP 9 HZ3 TRP 9 57.406 63.987 47.235 69 HH2 TRP 9 HH2 TRP 9 56.100 65.729 48.380 70 H GLU 10 H GLU 10 52.358 57.175 45.922 71 HA GLU 10 HA GLU 10 51.134 55.527 47.821 72 1HB GLU 10 2HB GLU 10 52.508 54.797 45.107 73 2HB GLU 10 1HB GLU 10 51.537 53.625 46.141 74 1HG GLU 10 2HG GLU 10 50.066 56.080 45.837 75 2HG GLU 10 1HG GLU 10 50.745 55.522 44.178 76 H MET 11 H MET 11 52.109 54.983 49.582 77 HA MET 11 HA MET 11 54.828 54.416 50.092 78 1HB MET 11 2HB MET 11 52.138 53.483 51.334 79 2HB MET 11 1HB MET 11 53.791 52.893 51.922 80 1HG MET 11 2HG MET 11 54.304 54.778 52.964 81 2HG MET 11 1HG MET 11 53.890 55.714 51.531 82 1HE MET 11 1HE MET 11 52.977 56.964 54.675 83 2HE MET 11 2HE MET 11 53.317 55.216 55.120 84 3HE MET 11 3HE MET 11 51.773 55.993 55.505 85 H GLU 12 H GLU 12 56.112 53.005 49.448 86 HA GLU 12 HA GLU 12 55.224 50.693 47.813 87 1HB GLU 12 2HB GLU 12 57.323 52.135 47.120 88 2HB GLU 12 1HB GLU 12 58.101 51.397 48.594 89 1HG GLU 12 2HG GLU 12 57.955 49.232 47.769 90 2HG GLU 12 1HG GLU 12 56.578 49.664 46.587 91 H SER 13 H SER 13 57.273 51.442 50.671 92 HA SER 13 HA SER 13 56.263 49.063 52.051 93 1HB SER 13 2HB SER 13 58.750 48.969 50.289 94 2HB SER 13 1HB SER 13 58.897 48.151 51.921 95 HG SER 13 HG SER 13 57.963 46.646 50.878 96 H ASN 14 H ASN 14 57.817 48.297 53.573 97 HA ASN 14 HA ASN 14 59.401 50.365 55.020 98 1HB ASN 14 2HB ASN 14 57.992 48.003 56.515 99 2HB ASN 14 1HB ASN 14 58.323 49.727 57.122 100 1HD2 ASN 14 2HD2 ASN 14 56.579 47.479 55.260 101 2HD2 ASN 14 1HD2 ASN 14 55.013 48.543 54.962 102 H GLU 15 H GLU 15 61.307 49.987 55.172 103 HA GLU 15 HA GLU 15 62.085 47.280 54.384 104 1HB GLU 15 2HB GLU 15 63.323 49.969 54.899 105 2HB GLU 15 1HB GLU 15 64.484 48.711 55.429 106 1HG GLU 15 2HG GLU 15 62.983 48.480 52.739 107 2HG GLU 15 1HG GLU 15 64.740 49.137 53.035 108 H ASN 16 H ASN 16 60.738 46.508 56.382 109 HA ASN 16 HA ASN 16 62.626 45.303 58.129 110 1HB ASN 16 2HB ASN 16 62.006 47.969 59.032 111 2HB ASN 16 1HB ASN 16 61.248 46.659 60.162 112 1HD2 ASN 16 2HD2 ASN 16 63.499 48.652 60.205 113 2HD2 ASN 16 1HD2 ASN 16 64.968 47.605 60.759 114 H PHE 17 H PHE 17 59.534 46.840 58.414 115 HA PHE 17 HA PHE 17 57.341 46.105 58.682 116 1HB PHE 17 2HB PHE 17 58.490 43.214 58.649 117 2HB PHE 17 1HB PHE 17 56.771 43.765 58.475 118 HD1 PHE 17 HD1 PHE 17 59.758 42.906 56.784 119 HD2 PHE 17 HD2 PHE 17 56.301 45.471 56.474 120 HE1 PHE 17 HE1 PHE 17 60.093 43.176 54.332 121 HE2 PHE 17 HE2 PHE 17 56.681 45.732 54.007 122 HZ PHE 17 HZ PHE 17 58.512 44.632 52.911 123 H GLU 18 H GLU 18 59.609 43.881 60.418 124 HA GLU 18 HA GLU 18 58.034 43.284 62.649 125 1HB GLU 18 2HB GLU 18 61.086 44.029 62.443 126 2HB GLU 18 1HB GLU 18 60.318 43.038 63.743 127 1HG GLU 18 2HG GLU 18 59.691 41.273 62.152 128 2HG GLU 18 1HG GLU 18 60.663 42.190 60.821 129 H GLY 19 H GLY 19 60.357 45.964 62.303 130 1HA GLY 19 1HA GLY 19 59.618 46.781 65.133 131 2HA GLY 19 2HA GLY 19 60.707 47.724 63.996 132 H TYR 20 H TYR 20 58.466 47.364 61.947 133 HA TYR 20 HA TYR 20 57.087 49.939 62.501 134 1HB TYR 20 2HB TYR 20 57.699 48.441 60.213 135 2HB TYR 20 1HB TYR 20 56.138 47.704 60.663 136 HD1 TYR 20 HD1 TYR 20 57.019 51.339 61.130 137 HD2 TYR 20 HD2 TYR 20 54.961 48.311 58.864 138 HE1 TYR 20 HE1 TYR 20 55.817 53.103 59.914 139 HE2 TYR 20 HE2 TYR 20 53.703 50.094 57.592 140 HH TYR 20 HH TYR 20 54.600 53.249 57.488 141 H MET 21 H MET 21 56.593 46.510 63.045 142 HA MET 21 HA MET 21 53.714 46.860 63.659 143 1HB MET 21 2HB MET 21 55.039 44.672 62.851 144 2HB MET 21 1HB MET 21 55.836 44.689 64.437 145 1HG MET 21 2HG MET 21 53.238 44.716 65.334 146 2HG MET 21 1HG MET 21 52.871 43.993 63.812 147 1HE MET 21 1HE MET 21 53.538 43.112 67.434 148 2HE MET 21 2HE MET 21 52.900 41.482 66.918 149 3HE MET 21 3HE MET 21 52.152 42.862 66.255 150 H LYS 22 H LYS 22 56.675 46.478 65.259 151 HA LYS 22 HA LYS 22 55.776 46.456 67.956 152 1HB LYS 22 2HB LYS 22 58.158 45.717 66.937 153 2HB LYS 22 1HB LYS 22 58.511 47.494 66.876 154 1HG LYS 22 2HG LYS 22 59.495 46.848 68.872 155 2HG LYS 22 1HG LYS 22 57.900 47.569 69.386 156 1HD LYS 22 2HD LYS 22 57.943 45.536 70.596 157 2HD LYS 22 1HD LYS 22 57.085 45.016 69.085 158 1HE LYS 22 2HE LYS 22 59.162 44.156 68.099 159 2HE LYS 22 1HE LYS 22 60.165 44.978 69.413 160 1HZ LYS 22 1HZ LYS 22 58.721 42.453 69.439 161 2HZ LYS 22 2HZ LYS 22 58.720 43.362 70.864 162 3HZ LYS 22 3HZ LYS 22 60.148 42.851 70.188 163 H ALA 23 H ALA 23 56.459 49.069 65.880 164 HA ALA 23 HA ALA 23 56.827 51.174 67.819 165 1HB ALA 23 1HB ALA 23 57.353 51.860 65.739 166 2HB ALA 23 2HB ALA 23 55.714 52.607 65.911 167 3HB ALA 23 3HB ALA 23 55.939 51.050 64.924 168 H LEU 24 H LEU 24 54.093 49.355 67.016 169 HA LEU 24 HA LEU 24 52.320 51.050 68.796 170 1HB LEU 24 2HB LEU 24 51.263 49.170 66.567 171 2HB LEU 24 1HB LEU 24 50.489 50.547 67.406 172 HG LEU 24 HG LEU 24 52.875 50.914 65.465 173 1HD1 LEU 24 1HD1 LEU 24 49.831 51.253 64.949 174 2HD1 LEU 24 2HD1 LEU 24 50.893 49.963 64.236 175 3HD1 LEU 24 3HD1 LEU 24 51.172 51.688 63.813 176 1HD2 LEU 24 1HD2 LEU 24 52.300 52.685 67.364 177 2HD2 LEU 24 2HD2 LEU 24 50.880 53.072 66.387 178 3HD2 LEU 24 3HD2 LEU 24 52.587 53.249 65.702 179 H ASP 25 H ASP 25 52.712 47.982 67.145 180 HA ASP 25 HA ASP 25 52.852 45.781 67.846 181 1HB ASP 25 2HB ASP 25 53.982 46.759 69.930 182 2HB ASP 25 1HB ASP 25 52.301 46.751 70.699 183 H ILE 26 H ILE 26 50.811 47.090 66.760 184 HA ILE 26 HA ILE 26 48.301 46.977 67.987 185 HB ILE 26 HB ILE 26 49.309 46.748 65.107 186 1HG1 ILE 26 2HG1 ILE 26 47.332 48.654 66.444 187 2HG1 ILE 26 1HG1 ILE 26 49.142 48.846 66.520 188 1HG2 ILE 26 1HG2 ILE 26 46.390 46.626 66.094 189 2HG2 ILE 26 2HG2 ILE 26 47.262 45.307 65.162 190 3HG2 ILE 26 3HG2 ILE 26 46.832 46.918 64.370 191 1HD1 ILE 26 1HD1 ILE 26 47.447 48.726 63.864 192 2HD1 ILE 26 2HD1 ILE 26 49.238 48.974 64.005 193 3HD1 ILE 26 3HD1 ILE 26 48.154 50.206 64.679 194 H ASP 27 H ASP 27 49.862 44.660 65.892 195 HA ASP 27 HA ASP 27 49.689 42.387 67.440 196 1HB ASP 27 2HB ASP 27 46.959 43.063 66.421 197 2HB ASP 27 1HB ASP 27 47.569 41.498 65.659 198 H PHE 28 H PHE 28 49.401 40.250 65.749 199 HA PHE 28 HA PHE 28 51.627 40.764 63.995 200 1HB PHE 28 2HB PHE 28 49.856 38.442 64.924 201 2HB PHE 28 1HB PHE 28 50.301 38.322 63.175 202 HD1 PHE 28 HD1 PHE 28 52.511 39.856 65.876 203 HD2 PHE 28 HD2 PHE 28 51.592 36.395 63.455 204 HE1 PHE 28 HE1 PHE 28 54.669 38.788 66.593 205 HE2 PHE 28 HE2 PHE 28 53.717 35.366 64.164 206 HZ PHE 28 HZ PHE 28 55.277 36.495 65.711 207 H ALA 29 H ALA 29 48.274 41.071 63.560 208 HA ALA 29 HA ALA 29 48.143 40.572 60.653 209 1HB ALA 29 1HB ALA 29 46.139 40.710 62.459 210 2HB ALA 29 2HB ALA 29 45.914 41.411 60.834 211 3HB ALA 29 3HB ALA 29 46.383 42.501 62.259 212 H THR 30 H THR 30 48.805 43.319 62.737 213 HA THR 30 HA THR 30 48.589 45.396 60.814 214 HB THR 30 HB THR 30 49.840 45.080 63.508 215 HG1 THR 30 1HG THR 30 48.300 47.026 62.112 216 1HG2 THR 30 1HG2 THR 30 50.474 47.305 61.353 217 2HG2 THR 30 2HG2 THR 30 51.724 46.306 62.170 218 3HG2 THR 30 3HG2 THR 30 50.744 47.479 63.171 219 H ARG 31 H ARG 31 51.345 43.393 61.624 220 HA ARG 31 HA ARG 31 53.169 44.888 59.868 221 1HB ARG 31 2HB ARG 31 54.792 43.936 61.049 222 2HB ARG 31 1HB ARG 31 53.536 43.196 62.103 223 1HG ARG 31 2HG ARG 31 54.366 41.643 59.543 224 2HG ARG 31 1HG ARG 31 55.434 41.727 60.996 225 1HD ARG 31 2HD ARG 31 52.974 41.217 62.181 226 2HD ARG 31 1HD ARG 31 52.708 40.352 60.596 227 HE ARG 31 HE ARG 31 54.598 39.742 62.735 228 1HH1 ARG 31 2HH2 ARG 31 53.730 39.349 59.313 229 2HH1 ARG 31 1HH2 ARG 31 54.625 37.857 59.070 230 1HH2 ARG 31 2HH1 ARG 31 55.741 37.834 62.484 231 2HH2 ARG 31 1HH1 ARG 31 55.856 36.920 60.952 232 H LYS 32 H LYS 32 51.352 41.725 59.768 233 HA LYS 32 HA LYS 32 52.571 40.970 57.300 234 1HB LYS 32 2HB LYS 32 51.351 39.531 58.960 235 2HB LYS 32 1HB LYS 32 49.810 40.421 58.501 236 1HG LYS 32 2HG LYS 32 50.190 39.562 56.040 237 2HG LYS 32 1HG LYS 32 51.422 38.481 56.746 238 1HD LYS 32 2HD LYS 32 49.828 37.023 57.442 239 2HD LYS 32 1HD LYS 32 49.199 38.315 58.521 240 1HE LYS 32 2HE LYS 32 47.552 39.026 57.010 241 2HE LYS 32 1HE LYS 32 48.369 38.308 55.534 242 1HZ LYS 32 1HZ LYS 32 48.013 36.182 57.138 243 2HZ LYS 32 2HZ LYS 32 46.999 36.595 55.868 244 3HZ LYS 32 3HZ LYS 32 46.643 37.068 57.410 245 H ILE 33 H ILE 33 49.985 43.046 58.282 246 HA ILE 33 HA ILE 33 48.732 43.105 55.642 247 HB ILE 33 HB ILE 33 48.494 44.905 58.138 248 1HG1 ILE 33 2HG1 ILE 33 46.656 43.639 58.601 249 2HG1 ILE 33 1HG1 ILE 33 45.894 44.332 57.102 250 1HG2 ILE 33 1HG2 ILE 33 47.589 45.467 55.240 251 2HG2 ILE 33 2HG2 ILE 33 48.367 46.524 56.468 252 3HG2 ILE 33 3HG2 ILE 33 46.604 46.093 56.655 253 1HD1 ILE 33 1HD1 ILE 33 46.762 42.338 55.779 254 2HD1 ILE 33 2HD1 ILE 33 45.919 41.773 57.253 255 3HD1 ILE 33 3HD1 ILE 33 47.757 41.846 57.207 256 H ALA 34 H ALA 34 50.839 45.243 57.601 257 HA ALA 34 HA ALA 34 51.132 47.347 55.619 258 1HB ALA 34 1HB ALA 34 53.585 47.047 57.226 259 2HB ALA 34 2HB ALA 34 52.190 46.625 58.272 260 3HB ALA 34 3HB ALA 34 52.287 48.252 57.488 261 H VAL 35 H VAL 35 52.447 44.278 56.146 262 HA VAL 35 HA VAL 35 55.000 44.536 54.894 263 HB VAL 35 HB VAL 35 53.169 42.353 55.669 264 1HG1 VAL 35 1HG1 VAL 35 53.476 41.443 53.454 265 2HG1 VAL 35 2HG1 VAL 35 54.813 40.623 54.348 266 3HG1 VAL 35 3HG1 VAL 35 55.208 42.009 53.302 267 1HG2 VAL 35 1HG2 VAL 35 54.983 41.538 56.900 268 2HG2 VAL 35 2HG2 VAL 35 55.422 43.300 56.773 269 3HG2 VAL 35 3HG2 VAL 35 56.188 42.090 55.645 270 H ARG 36 H ARG 36 51.929 43.601 53.548 271 HA ARG 36 HA ARG 36 53.189 43.495 50.761 272 1HB ARG 36 2HB ARG 36 51.376 42.288 49.962 273 2HB ARG 36 1HB ARG 36 51.798 41.547 51.602 274 1HG ARG 36 2HG ARG 36 49.708 43.663 51.862 275 2HG ARG 36 1HG ARG 36 49.187 42.252 50.819 276 1HD ARG 36 2HD ARG 36 50.754 41.490 53.248 277 2HD ARG 36 1HD ARG 36 49.196 42.278 53.598 278 HE ARG 36 HE ARG 36 49.328 40.051 51.528 279 1HH1 ARG 36 1HH2 ARG 36 47.972 41.056 54.822 280 2HH1 ARG 36 2HH2 ARG 36 46.942 39.649 54.796 281 1HH2 ARG 36 2HH1 ARG 36 48.011 38.422 51.651 282 2HH2 ARG 36 1HH1 ARG 36 46.983 38.220 53.107 283 H LEU 37 H LEU 37 51.258 45.359 52.791 284 HA LEU 37 HA LEU 37 49.487 46.597 50.855 285 1HB LEU 37 2HB LEU 37 50.529 47.057 53.685 286 2HB LEU 37 1HB LEU 37 50.166 48.560 52.735 287 HG LEU 37 HG LEU 37 48.224 47.536 54.110 288 1HD1 LEU 37 1HD1 LEU 37 48.471 49.008 51.581 289 2HD1 LEU 37 2HD1 LEU 37 47.420 49.290 53.000 290 3HD1 LEU 37 3HD1 LEU 37 46.900 48.130 51.661 291 1HD2 LEU 37 1HD2 LEU 37 48.703 45.279 52.352 292 2HD2 LEU 37 2HD2 LEU 37 47.293 46.164 51.619 293 3HD2 LEU 37 3HD2 LEU 37 47.219 45.568 53.333 294 H THR 38 H THR 38 49.601 48.389 49.796 295 HA THR 38 HA THR 38 52.103 49.853 49.537 296 HB THR 38 HB THR 38 51.225 49.557 46.873 297 HG1 THR 38 1HG THR 38 51.038 47.267 46.745 298 1HG2 THR 38 1HG2 THR 38 53.525 48.805 48.458 299 2HG2 THR 38 2HG2 THR 38 53.457 48.955 46.648 300 3HG2 THR 38 3HG2 THR 38 53.110 47.372 47.434 301 H GLN 39 H GLN 39 50.100 50.677 50.972 302 HA GLN 39 HA GLN 39 48.066 52.001 49.534 303 1HB GLN 39 2HB GLN 39 47.808 53.240 51.875 304 2HB GLN 39 1HB GLN 39 47.873 51.422 51.876 305 1HG GLN 39 2HG GLN 39 49.792 51.289 52.974 306 2HG GLN 39 1HG GLN 39 50.581 52.575 51.941 307 1HE2 GLN 39 2HE2 GLN 39 50.653 51.958 54.921 308 2HE2 GLN 39 1HE2 GLN 39 50.092 53.461 55.670 309 H THR 40 H THR 40 47.491 54.058 49.852 310 HA THR 40 HA THR 40 49.373 55.986 48.558 311 HB THR 40 HB THR 40 46.438 56.565 48.987 312 HG1 THR 40 1HG THR 40 46.041 55.192 47.109 313 1HG2 THR 40 1HG2 THR 40 46.608 57.523 46.764 314 2HG2 THR 40 2HG2 THR 40 47.935 56.330 46.302 315 3HG2 THR 40 3HG2 THR 40 48.321 57.724 47.377 316 H LYS 41 H LYS 41 49.773 57.897 48.979 317 HA LYS 41 HA LYS 41 48.642 58.992 51.581 318 1HB LYS 41 2HB LYS 41 50.925 57.534 51.614 319 2HB LYS 41 1HB LYS 41 51.647 59.131 51.066 320 1HG LYS 41 2HG LYS 41 49.979 59.762 53.253 321 2HG LYS 41 1HG LYS 41 50.643 58.112 53.709 322 1HD LYS 41 2HD LYS 41 52.212 59.884 54.545 323 2HD LYS 41 1HD LYS 41 52.974 59.059 53.129 324 1HE LYS 41 2HE LYS 41 52.247 60.921 51.658 325 2HE LYS 41 1HE LYS 41 51.505 61.744 53.149 326 1HZ LYS 41 1HZ LYS 41 54.283 61.010 53.453 327 2HZ LYS 41 2HZ LYS 41 53.499 62.476 53.619 328 3HZ LYS 41 3HZ LYS 41 54.070 61.970 52.132 329 H ILE 42 H ILE 42 48.682 61.313 51.663 330 HA ILE 42 HA ILE 42 50.404 62.625 49.645 331 HB ILE 42 HB ILE 42 48.651 62.020 48.036 332 1HG1 ILE 42 2HG1 ILE 42 47.815 64.808 49.013 333 2HG1 ILE 42 1HG1 ILE 42 49.369 64.526 48.060 334 1HG2 ILE 42 1HG2 ILE 42 46.267 63.207 48.875 335 2HG2 ILE 42 2HG2 ILE 42 46.858 62.558 50.425 336 3HG2 ILE 42 3HG2 ILE 42 46.672 61.455 49.018 337 1HD1 ILE 42 1HD1 ILE 42 48.148 64.583 46.128 338 2HD1 ILE 42 2HD1 ILE 42 46.627 64.812 47.051 339 3HD1 ILE 42 3HD1 ILE 42 47.223 63.143 46.638 340 H ILE 43 H ILE 43 51.181 64.270 50.427 341 HA ILE 43 HA ILE 43 50.026 65.739 52.747 342 HB ILE 43 HB ILE 43 52.389 66.169 50.925 343 1HG1 ILE 43 2HG1 ILE 43 52.509 64.612 53.602 344 2HG1 ILE 43 1HG1 ILE 43 52.385 63.734 51.991 345 1HG2 ILE 43 1HG2 ILE 43 52.374 68.001 52.454 346 2HG2 ILE 43 2HG2 ILE 43 53.265 66.796 53.479 347 3HG2 ILE 43 3HG2 ILE 43 51.445 67.017 53.691 348 1HD1 ILE 43 1HD1 ILE 43 54.448 65.779 51.840 349 2HD1 ILE 43 2HD1 ILE 43 54.681 63.963 51.852 350 3HD1 ILE 43 3HD1 ILE 43 54.685 64.898 53.390 351 H VAL 44 H VAL 44 50.160 68.162 52.680 352 HA VAL 44 HA VAL 44 50.212 69.387 49.991 353 HB VAL 44 HB VAL 44 47.996 68.231 50.017 354 1HG1 VAL 44 1HG1 VAL 44 46.895 67.941 51.923 355 2HG1 VAL 44 2HG1 VAL 44 46.510 69.757 51.932 356 3HG1 VAL 44 3HG1 VAL 44 47.988 69.148 52.709 357 1HG2 VAL 44 1HG2 VAL 44 46.983 71.076 50.525 358 2HG2 VAL 44 2HG2 VAL 44 46.861 70.071 49.017 359 3HG2 VAL 44 3HG2 VAL 44 48.348 71.039 49.384 360 H GLN 45 H GLN 45 51.820 70.291 51.475 361 HA GLN 45 HA GLN 45 51.548 71.805 53.676 362 1HB GLN 45 2HB GLN 45 53.609 71.501 52.592 363 2HB GLN 45 1HB GLN 45 53.078 72.305 51.041 364 1HG GLN 45 2HG GLN 45 52.876 74.481 52.236 365 2HG GLN 45 1HG GLN 45 53.314 73.578 53.838 366 1HE2 GLN 45 1HE2 GLN 45 54.483 75.843 52.961 367 2HE2 GLN 45 2HE2 GLN 45 56.205 75.415 52.307 368 H ASP 46 H ASP 46 51.293 73.608 54.373 369 HA ASP 46 HA ASP 46 50.296 75.757 52.629 370 1HB ASP 46 2HB ASP 46 48.495 73.970 53.993 371 2HB ASP 46 1HB ASP 46 48.262 75.639 54.737 372 H GLY 47 H GLY 47 52.553 75.528 54.152 373 1HA GLY 47 1HA GLY 47 53.751 77.325 55.241 374 2HA GLY 47 2HA GLY 47 52.123 77.963 55.924 375 H ASP 48 H ASP 48 51.433 77.338 57.666 376 HA ASP 48 HA ASP 48 53.186 75.640 59.444 377 1HB ASP 48 2HB ASP 48 52.435 77.081 61.368 378 2HB ASP 48 1HB ASP 48 53.040 78.255 60.050 379 H ASN 49 H ASN 49 50.795 75.386 57.724 380 HA ASN 49 HA ASN 49 49.253 73.468 59.447 381 1HB ASN 49 2HB ASN 49 47.681 75.283 59.554 382 2HB ASN 49 1HB ASN 49 48.258 75.968 57.948 383 1HD2 ASN 49 2HD2 ASN 49 46.714 75.906 56.692 384 2HD2 ASN 49 1HD2 ASN 49 45.477 74.494 56.453 385 H PHE 50 H PHE 50 50.034 71.774 58.544 386 HA PHE 50 HA PHE 50 49.509 71.502 55.589 387 1HB PHE 50 2HB PHE 50 51.467 70.480 55.108 388 2HB PHE 50 1HB PHE 50 52.092 71.416 56.530 389 HD1 PHE 50 HD1 PHE 50 50.970 70.055 58.842 390 HD2 PHE 50 HD2 PHE 50 52.526 68.510 55.160 391 HE1 PHE 50 HE1 PHE 50 51.580 67.908 60.005 392 HE2 PHE 50 HE2 PHE 50 53.131 66.390 56.321 393 HZ PHE 50 HZ PHE 50 52.629 66.154 58.746 394 H LYS 51 H LYS 51 48.945 69.596 54.629 395 HA LYS 51 HA LYS 51 47.671 67.797 56.685 396 1HB LYS 51 2HB LYS 51 46.335 69.757 55.554 397 2HB LYS 51 1HB LYS 51 46.294 68.705 54.073 398 1HG LYS 51 2HG LYS 51 45.380 67.759 56.904 399 2HG LYS 51 1HG LYS 51 44.256 68.571 55.687 400 1HD LYS 51 2HD LYS 51 45.437 66.873 54.058 401 2HD LYS 51 1HD LYS 51 45.745 65.941 55.610 402 1HE LYS 51 2HE LYS 51 43.666 65.133 54.490 403 2HE LYS 51 1HE LYS 51 43.228 66.019 56.035 404 1HZ LYS 51 1HZ LYS 51 43.420 67.903 53.991 405 2HZ LYS 51 2HZ LYS 51 41.978 67.394 54.646 406 3HZ LYS 51 3HZ LYS 51 42.626 66.622 53.300 407 H THR 52 H THR 52 47.736 65.798 56.486 408 HA THR 52 HA THR 52 48.347 64.585 53.808 409 HB THR 52 HB THR 52 50.521 64.790 54.734 410 HG1 THR 52 1HG THR 52 49.680 62.725 54.277 411 1HG2 THR 52 1HG2 THR 52 50.290 65.700 56.975 412 2HG2 THR 52 2HG2 THR 52 50.779 63.999 57.351 413 3HG2 THR 52 3HG2 THR 52 49.067 64.419 57.431 414 H LYS 53 H LYS 53 47.672 62.376 53.596 415 HA LYS 53 HA LYS 53 46.731 61.073 56.106 416 1HB LYS 53 2HB LYS 53 44.716 60.595 53.913 417 2HB LYS 53 1HB LYS 53 44.446 61.194 55.636 418 1HG LYS 53 2HG LYS 53 43.515 62.751 54.285 419 2HG LYS 53 1HG LYS 53 45.158 63.495 54.614 420 1HD LYS 53 2HD LYS 53 45.045 63.751 52.287 421 2HD LYS 53 1HD LYS 53 45.894 62.141 52.478 422 1HE LYS 53 2HE LYS 53 43.176 61.370 52.373 423 2HE LYS 53 1HE LYS 53 43.245 62.819 51.219 424 1HZ LYS 53 1HZ LYS 53 45.395 60.884 51.024 425 2HZ LYS 53 2HZ LYS 53 44.605 61.748 49.864 426 3HZ LYS 53 3HZ LYS 53 43.846 60.424 50.479 427 H THR 54 H THR 54 46.069 58.943 55.778 428 HA THR 54 HA THR 54 47.716 57.554 53.699 429 HB THR 54 HB THR 54 48.059 55.825 55.194 430 HG1 THR 54 1HG THR 54 46.937 55.557 57.001 431 1HG2 THR 54 1HG2 THR 54 48.575 57.204 57.503 432 2HG2 THR 54 2HG2 THR 54 48.383 58.638 56.404 433 3HG2 THR 54 3HG2 THR 54 49.619 57.417 56.019 434 H ASN 55 H ASN 55 46.723 55.855 52.491 435 HA ASN 55 HA ASN 55 43.766 55.569 52.927 436 1HB ASN 55 2HB ASN 55 44.566 56.830 50.799 437 2HB ASN 55 1HB ASN 55 45.015 55.057 50.234 438 1HD2 ASN 55 2HD2 ASN 55 42.588 57.056 51.847 439 2HD2 ASN 55 1HD2 ASN 55 41.116 56.275 50.980 440 H SER 56 H SER 56 45.318 54.068 54.322 441 HA SER 56 HA SER 56 45.923 51.392 53.106 442 1HB SER 56 2HB SER 56 47.243 51.484 55.026 443 2HB SER 56 1HB SER 56 46.186 52.870 55.711 444 HG SER 56 HG SER 56 45.942 51.033 56.934 445 H THR 57 H THR 57 44.946 49.520 53.845 446 HA THR 57 HA THR 57 41.960 49.759 53.835 447 HB THR 57 HB THR 57 43.756 47.971 52.665 448 HG1 THR 57 1HG THR 57 41.036 47.444 53.063 449 1HG2 THR 57 1HG2 THR 57 42.005 46.514 54.762 450 2HG2 THR 57 2HG2 THR 57 43.801 46.668 54.955 451 3HG2 THR 57 3HG2 THR 57 43.133 45.751 53.578 452 H PHE 58 H PHE 58 44.596 49.238 55.822 453 HA PHE 58 HA PHE 58 42.997 48.076 58.116 454 1HB PHE 58 2HB PHE 58 45.830 47.860 57.293 455 2HB PHE 58 1HB PHE 58 45.681 48.616 58.924 456 HD1 PHE 58 HD1 PHE 58 43.531 45.936 57.279 457 HD2 PHE 58 HD2 PHE 58 46.364 46.992 60.297 458 HE1 PHE 58 HE1 PHE 58 43.307 43.667 58.336 459 HE2 PHE 58 HE2 PHE 58 46.145 44.762 61.342 460 HZ PHE 58 HZ PHE 58 44.601 43.078 60.361 461 H ARG 59 H ARG 59 43.628 51.046 56.926 462 HA ARG 59 HA ARG 59 42.689 52.332 59.483 463 1HB ARG 59 2HB ARG 59 45.243 51.522 59.846 464 2HB ARG 59 1HB ARG 59 45.521 53.107 58.976 465 1HG ARG 59 2HG ARG 59 45.438 53.386 61.429 466 2HG ARG 59 1HG ARG 59 43.986 54.184 60.635 467 1HD ARG 59 2HD ARG 59 43.159 51.545 61.257 468 2HD ARG 59 1HD ARG 59 44.200 52.031 62.658 469 HE ARG 59 HE ARG 59 42.659 54.280 62.159 470 1HH1 ARG 59 1HH2 ARG 59 41.874 50.810 62.626 471 2HH1 ARG 59 2HH2 ARG 59 40.330 51.100 63.319 472 1HH2 ARG 59 2HH1 ARG 59 40.556 54.652 63.111 473 2HH2 ARG 59 1HH1 ARG 59 39.506 53.369 63.620 474 H ASN 60 H ASN 60 42.149 54.224 59.392 475 HA ASN 60 HA ASN 60 43.004 55.902 57.082 476 1HB ASN 60 2HB ASN 60 40.313 55.564 58.541 477 2HB ASN 60 1HB ASN 60 40.731 57.197 57.736 478 1HD2 ASN 60 1HD2 ASN 60 39.631 53.997 57.471 479 2HD2 ASN 60 2HD2 ASN 60 39.443 53.902 55.732 480 H TYR 61 H TYR 61 44.677 56.468 58.085 481 HA TYR 61 HA TYR 61 44.398 58.081 60.601 482 1HB TYR 61 2HB TYR 61 45.795 55.941 60.612 483 2HB TYR 61 1HB TYR 61 46.854 56.667 59.350 484 HD1 TYR 61 HD1 TYR 61 48.748 57.542 60.064 485 HD2 TYR 61 HD2 TYR 61 45.375 57.835 62.682 486 HE1 TYR 61 HE1 TYR 61 50.191 58.723 61.716 487 HE2 TYR 61 HE2 TYR 61 46.841 59.028 64.362 488 HH TYR 61 HH TYR 61 49.132 60.532 63.961 489 H ASP 62 H ASP 62 44.440 60.089 60.278 490 HA ASP 62 HA ASP 62 46.034 61.280 57.960 491 1HB ASP 62 2HB ASP 62 44.278 63.183 58.280 492 2HB ASP 62 1HB ASP 62 43.755 61.529 57.479 493 H LEU 63 H LEU 63 47.504 62.675 58.299 494 HA LEU 63 HA LEU 63 48.016 63.347 61.181 495 1HB LEU 63 2HB LEU 63 49.567 62.654 58.798 496 2HB LEU 63 1HB LEU 63 50.138 64.269 59.379 497 HG LEU 63 HG LEU 63 51.398 62.344 60.360 498 1HD1 LEU 63 1HD1 LEU 63 51.545 64.251 61.781 499 2HD1 LEU 63 2HD1 LEU 63 50.784 62.985 62.820 500 3HD1 LEU 63 3HD1 LEU 63 49.756 64.298 62.048 501 1HD2 LEU 63 1HD2 LEU 63 48.887 61.677 61.935 502 2HD2 LEU 63 2HD2 LEU 63 50.432 60.722 61.722 503 3HD2 LEU 63 3HD2 LEU 63 49.274 60.852 60.317 504 H ASP 64 H ASP 64 45.887 64.781 60.406 505 HA ASP 64 HA ASP 64 46.656 67.366 59.314 506 1HB ASP 64 2HB ASP 64 44.374 66.117 60.966 507 2HB ASP 64 1HB ASP 64 44.487 68.019 60.788 508 H PHE 65 H PHE 65 48.085 68.755 60.078 509 HA PHE 65 HA PHE 65 48.124 69.284 62.966 510 1HB PHE 65 2HB PHE 65 49.365 67.138 62.846 511 2HB PHE 65 1HB PHE 65 50.294 67.812 61.414 512 HD1 PHE 65 HD1 PHE 65 52.532 67.986 62.117 513 HD2 PHE 65 HD2 PHE 65 49.370 69.118 64.816 514 HE1 PHE 65 HE1 PHE 65 54.212 68.737 63.611 515 HE2 PHE 65 HE2 PHE 65 51.095 69.909 66.404 516 HZ PHE 65 HZ PHE 65 53.522 69.745 65.850 517 H THR 66 H THR 66 49.806 70.977 63.382 518 HA THR 66 HA THR 66 50.149 72.945 61.130 519 HB THR 66 HB THR 66 51.127 73.925 63.509 520 HG1 THR 66 1HG THR 66 49.197 73.135 64.868 521 1HG2 THR 66 1HG2 THR 66 48.911 75.046 63.959 522 2HG2 THR 66 2HG2 THR 66 48.057 73.721 63.021 523 3HG2 THR 66 3HG2 THR 66 49.037 74.897 62.135 524 H VAL 67 H VAL 67 52.289 74.100 61.310 525 HA VAL 67 HA VAL 67 54.350 71.928 61.580 526 HB VAL 67 HB VAL 67 54.673 74.730 60.351 527 1HG1 VAL 67 1HG1 VAL 67 56.504 73.545 59.184 528 2HG1 VAL 67 2HG1 VAL 67 56.298 72.105 60.243 529 3HG1 VAL 67 3HG1 VAL 67 56.738 73.746 61.003 530 1HG2 VAL 67 1HG2 VAL 67 52.896 73.271 59.210 531 2HG2 VAL 67 2HG2 VAL 67 54.165 71.960 59.009 532 3HG2 VAL 67 3HG2 VAL 67 54.377 73.614 58.236 533 H GLY 68 H GLY 68 54.598 71.773 63.682 534 1HA GLY 68 1HA GLY 68 56.408 72.314 65.257 535 2HA GLY 68 2HA GLY 68 56.162 74.098 64.844 536 H VAL 69 H VAL 69 53.260 73.878 64.967 537 HA VAL 69 HA VAL 69 53.052 74.403 67.902 538 HB VAL 69 HB VAL 69 50.928 74.263 65.643 539 1HG1 VAL 69 1HG1 VAL 69 50.907 75.500 68.399 540 2HG1 VAL 69 2HG1 VAL 69 49.748 74.334 67.651 541 3HG1 VAL 69 3HG1 VAL 69 49.801 76.003 66.980 542 1HG2 VAL 69 1HG2 VAL 69 53.142 76.219 66.178 543 2HG2 VAL 69 2HG2 VAL 69 51.567 77.013 66.096 544 3HG2 VAL 69 3HG2 VAL 69 52.141 76.038 64.665 545 H GLU 70 H GLU 70 53.501 72.415 68.709 546 HA GLU 70 HA GLU 70 52.472 70.046 67.700 547 1HB GLU 70 2HB GLU 70 53.710 69.226 69.383 548 2HB GLU 70 1HB GLU 70 53.567 70.812 70.303 549 1HG GLU 70 2HG GLU 70 51.372 70.261 71.139 550 2HG GLU 70 1HG GLU 70 51.526 68.558 70.421 551 H PHE 71 H PHE 71 51.096 68.595 68.259 552 HA PHE 71 HA PHE 71 48.540 69.605 69.443 553 1HB PHE 71 2HB PHE 71 48.619 70.124 66.927 554 2HB PHE 71 1HB PHE 71 48.371 68.340 66.601 555 HD1 PHE 71 HD1 PHE 71 46.844 71.243 68.453 556 HD2 PHE 71 HD2 PHE 71 46.284 67.446 66.587 557 HE1 PHE 71 HE1 PHE 71 44.455 71.448 68.726 558 HE2 PHE 71 HE2 PHE 71 43.808 67.652 66.855 559 HZ PHE 71 HZ PHE 71 42.898 69.704 67.965 560 H ASP 72 H ASP 72 47.927 68.132 70.760 561 HA ASP 72 HA ASP 72 48.702 65.409 70.817 562 1HB ASP 72 2HB ASP 72 47.933 66.748 72.768 563 2HB ASP 72 1HB ASP 72 46.239 66.862 72.053 564 H GLU 73 H GLU 73 48.144 64.148 69.062 565 HA GLU 73 HA GLU 73 45.313 63.958 68.018 566 1HB GLU 73 2HB GLU 73 48.116 62.830 67.408 567 2HB GLU 73 1HB GLU 73 46.691 62.360 66.383 568 1HG GLU 73 2HG GLU 73 47.167 65.283 66.990 569 2HG GLU 73 1HG GLU 73 48.297 64.408 65.767 570 H HIS 74 H HIS 74 44.935 61.763 67.315 571 HA HIS 74 HA HIS 74 44.996 59.810 69.621 572 1HB HIS 74 2HB HIS 74 42.671 61.180 68.351 573 2HB HIS 74 1HB HIS 74 42.606 59.336 68.327 574 HD1 HIS 74 HD1 HIS 74 41.680 61.938 70.670 575 HD2 HIS 74 HD2 HIS 74 43.718 58.259 70.816 576 HE1 HIS 74 HE1 HIS 74 41.610 61.139 73.148 577 HE2 HIS 74 HE2 HIS 74 42.878 58.889 73.203 578 H THR 75 H THR 75 45.616 57.911 69.222 579 HA THR 75 HA THR 75 45.980 57.015 66.389 580 HB THR 75 HB THR 75 47.298 55.214 67.979 581 HG1 THR 75 1HG THR 75 48.252 56.711 69.517 582 1HG2 THR 75 1HG2 THR 75 48.357 56.870 66.186 583 2HG2 THR 75 2HG2 THR 75 49.312 57.002 67.707 584 3HG2 THR 75 3HG2 THR 75 48.068 58.246 67.345 585 H LYS 76 H LYS 76 43.515 57.093 68.001 586 HA LYS 76 HA LYS 76 42.820 54.503 69.049 587 1HB LYS 76 2HB LYS 76 40.967 56.641 67.718 588 2HB LYS 76 1HB LYS 76 40.415 55.155 68.588 589 1HG LYS 76 2HG LYS 76 41.857 55.913 70.614 590 2HG LYS 76 1HG LYS 76 41.962 57.485 69.687 591 1HD LYS 76 2HD LYS 76 40.146 58.064 70.784 592 2HD LYS 76 1HD LYS 76 39.238 56.989 69.571 593 1HE LYS 76 2HE LYS 76 39.487 55.090 71.121 594 2HE LYS 76 1HE LYS 76 40.440 56.126 72.285 595 1HZ LYS 76 1HZ LYS 76 37.918 57.314 71.674 596 2HZ LYS 76 2HZ LYS 76 38.539 56.949 73.159 597 3HZ LYS 76 3HZ LYS 76 37.633 55.825 72.352 598 H GLY 77 H GLY 77 43.343 52.824 68.121 599 1HA GLY 77 1HA GLY 77 42.023 51.197 66.711 600 2HA GLY 77 2HA GLY 77 42.260 52.389 65.329 601 H LEU 78 H LEU 78 44.730 53.181 66.243 602 HA LEU 78 HA LEU 78 46.445 51.190 64.818 603 1HB LEU 78 2HB LEU 78 46.635 54.097 65.625 604 2HB LEU 78 1HB LEU 78 48.159 53.211 65.192 605 HG LEU 78 HG LEU 78 45.734 53.045 63.327 606 1HD1 LEU 78 1HD1 LEU 78 46.744 55.178 62.166 607 2HD1 LEU 78 2HD1 LEU 78 47.523 55.470 63.787 608 3HD1 LEU 78 3HD1 LEU 78 45.739 55.396 63.688 609 1HD2 LEU 78 1HD2 LEU 78 48.296 53.658 62.066 610 2HD2 LEU 78 2HD2 LEU 78 47.495 52.007 62.145 611 3HD2 LEU 78 3HD2 LEU 78 48.703 52.487 63.383 612 H ASP 79 H ASP 79 45.477 51.397 67.892 613 HA ASP 79 HA ASP 79 46.269 50.526 69.816 614 1HB ASP 79 2HB ASP 79 47.294 48.845 68.411 615 2HB ASP 79 1HB ASP 79 48.926 49.807 68.447 616 H GLY 80 H GLY 80 46.358 53.097 69.964 617 1HA GLY 80 1HA GLY 80 48.950 53.683 71.302 618 2HA GLY 80 2HA GLY 80 48.380 54.774 69.949 619 H ARG 81 H ARG 81 45.890 54.990 70.317 620 HA ARG 81 HA ARG 81 44.145 56.080 71.418 621 1HB ARG 81 2HB ARG 81 45.266 55.243 74.135 622 2HB ARG 81 1HB ARG 81 43.530 55.256 73.538 623 1HG ARG 81 2HG ARG 81 44.564 53.430 71.831 624 2HG ARG 81 1HG ARG 81 45.797 53.228 73.149 625 1HD ARG 81 2HD ARG 81 43.897 53.023 74.790 626 2HD ARG 81 1HD ARG 81 42.715 52.881 73.420 627 HE ARG 81 HE ARG 81 44.555 51.055 72.673 628 1HH1 ARG 81 2HH2 ARG 81 42.792 51.632 75.788 629 2HH1 ARG 81 1HH2 ARG 81 42.775 49.958 76.247 630 1HH2 ARG 81 1HH1 ARG 81 44.546 48.800 73.323 631 2HH2 ARG 81 2HH1 ARG 81 43.804 48.299 74.817 632 H ASN 82 H ASN 82 47.344 57.230 71.819 633 HA ASN 82 HA ASN 82 46.275 59.771 72.402 634 1HB ASN 82 2HB ASN 82 47.765 59.825 74.757 635 2HB ASN 82 1HB ASN 82 45.991 59.247 74.863 636 1HD2 ASN 82 2HD2 ASN 82 49.288 58.313 74.583 637 2HD2 ASN 82 1HD2 ASN 82 49.121 56.653 75.195 638 H VAL 83 H VAL 83 47.492 60.828 71.205 639 HA VAL 83 HA VAL 83 50.448 60.849 71.730 640 HB VAL 83 HB VAL 83 51.155 60.422 69.668 641 1HG1 VAL 83 1HG1 VAL 83 48.533 58.884 69.258 642 2HG1 VAL 83 2HG1 VAL 83 49.685 58.389 70.562 643 3HG1 VAL 83 3HG1 VAL 83 50.236 58.371 68.831 644 1HG2 VAL 83 1HG2 VAL 83 49.908 62.076 68.359 645 2HG2 VAL 83 2HG2 VAL 83 48.342 61.269 68.685 646 3HG2 VAL 83 3HG2 VAL 83 49.545 60.491 67.542 647 H LYS 84 H LYS 84 51.523 62.335 70.469 648 HA LYS 84 HA LYS 84 50.289 64.917 69.784 649 1HB LYS 84 2HB LYS 84 52.017 66.070 71.328 650 2HB LYS 84 1HB LYS 84 50.370 65.612 71.925 651 1HG LYS 84 2HG LYS 84 52.398 63.386 72.180 652 2HG LYS 84 1HG LYS 84 52.798 64.894 73.146 653 1HD LYS 84 2HD LYS 84 50.384 64.839 73.942 654 2HD LYS 84 1HD LYS 84 50.271 63.143 73.249 655 1HE LYS 84 2HE LYS 84 51.689 62.192 74.894 656 2HE LYS 84 1HE LYS 84 52.668 63.731 74.985 657 1HZ LYS 84 1HZ LYS 84 50.988 64.769 76.349 658 2HZ LYS 84 2HZ LYS 84 51.297 63.281 77.017 659 3HZ LYS 84 3HZ LYS 84 49.940 63.552 76.066 660 H THR 85 H THR 85 51.205 65.600 68.189 661 HA THR 85 HA THR 85 54.001 64.698 67.369 662 HB THR 85 HB THR 85 51.460 64.614 66.127 663 HG1 THR 85 1HG THR 85 54.075 63.953 65.611 664 1HG2 THR 85 1HG2 THR 85 51.806 66.924 65.227 665 2HG2 THR 85 2HG2 THR 85 52.202 65.827 63.879 666 3HG2 THR 85 3HG2 THR 85 53.543 66.629 64.812 667 H LEU 86 H LEU 86 55.367 65.843 66.425 668 HA LEU 86 HA LEU 86 55.078 68.766 66.485 669 1HB LEU 86 2HB LEU 86 55.863 67.853 68.791 670 2HB LEU 86 1HB LEU 86 57.363 67.312 67.928 671 HG LEU 86 HG LEU 86 56.704 70.213 67.496 672 1HD1 LEU 86 1HD1 LEU 86 57.977 69.104 70.084 673 2HD1 LEU 86 2HD1 LEU 86 56.259 69.589 70.077 674 3HD1 LEU 86 3HD1 LEU 86 57.503 70.874 69.718 675 1HD2 LEU 86 1HD2 LEU 86 59.332 70.105 68.278 676 2HD2 LEU 86 2HD2 LEU 86 58.845 69.507 66.632 677 3HD2 LEU 86 3HD2 LEU 86 59.101 68.334 67.958 678 H VAL 87 H VAL 87 55.671 69.398 64.631 679 HA VAL 87 HA VAL 87 57.880 68.017 63.234 680 HB VAL 87 HB VAL 87 55.443 69.586 62.185 681 1HG1 VAL 87 1HG1 VAL 87 58.043 68.745 60.854 682 2HG1 VAL 87 2HG1 VAL 87 56.914 70.068 60.498 683 3HG1 VAL 87 3HG1 VAL 87 56.517 68.354 59.965 684 1HG2 VAL 87 1HG2 VAL 87 56.254 66.610 61.807 685 2HG2 VAL 87 2HG2 VAL 87 54.638 67.347 61.456 686 3HG2 VAL 87 3HG2 VAL 87 55.252 67.166 63.154 687 H THR 88 H THR 88 59.482 69.159 62.298 688 HA THR 88 HA THR 88 59.464 72.094 62.355 689 HB THR 88 HB THR 88 61.422 70.123 63.616 690 HG1 THR 88 1HG THR 88 60.857 71.196 65.430 691 1HG2 THR 88 1HG2 THR 88 62.787 71.876 62.522 692 2HG2 THR 88 2HG2 THR 88 62.770 72.416 64.216 693 3HG2 THR 88 3HG2 THR 88 61.604 73.188 63.074 694 H TRP 89 H TRP 89 60.219 72.760 60.498 695 HA TRP 89 HA TRP 89 61.139 71.117 58.208 696 1HB TRP 89 2HB TRP 89 61.124 74.146 58.864 697 2HB TRP 89 1HB TRP 89 61.902 73.530 57.383 698 HD1 TRP 89 HD1 TRP 89 58.505 73.753 59.050 699 HE1 TRP 89 HE1 TRP 89 56.769 73.133 57.214 700 HE3 TRP 89 HE3 TRP 89 61.677 72.296 55.456 701 HZ2 TRP 89 HZ2 TRP 89 56.807 72.130 54.502 702 HZ3 TRP 89 HZ3 TRP 89 60.854 71.545 53.342 703 HH2 TRP 89 HH2 TRP 89 58.509 71.448 52.855 704 H GLU 90 H GLU 90 63.013 70.320 57.680 705 HA GLU 90 HA GLU 90 65.318 71.500 59.199 706 1HB GLU 90 2HB GLU 90 64.357 68.799 59.183 707 2HB GLU 90 1HB GLU 90 65.840 68.884 58.094 708 1HG GLU 90 2HG GLU 90 66.093 70.362 60.780 709 2HG GLU 90 1HG GLU 90 65.717 68.545 60.848 710 H GLY 91 H GLY 91 64.460 72.740 57.254 711 1HA GLY 91 1HA GLY 91 65.791 74.046 55.712 712 2HA GLY 91 2HA GLY 91 66.611 72.476 55.142 713 H ASN 92 H ASN 92 65.446 70.882 54.300 714 HA ASN 92 HA ASN 92 62.853 71.546 52.876 715 1HB ASN 92 2HB ASN 92 63.704 70.249 50.873 716 2HB ASN 92 1HB ASN 92 64.684 71.823 51.189 717 1HD2 ASN 92 1HD2 ASN 92 64.916 68.771 50.286 718 2HD2 ASN 92 2HD2 ASN 92 66.471 68.343 50.989 719 H THR 93 H THR 93 62.972 70.451 55.183 720 HA THR 93 HA THR 93 62.168 67.559 54.754 721 HB THR 93 HB THR 93 63.666 68.197 57.279 722 HG1 THR 93 1HG THR 93 65.175 68.856 56.176 723 1HG2 THR 93 1HG2 THR 93 64.334 65.752 56.908 724 2HG2 THR 93 2HG2 THR 93 63.706 65.839 55.213 725 3HG2 THR 93 3HG2 THR 93 62.565 65.870 56.569 726 H LEU 94 H LEU 94 61.847 67.326 57.749 727 HA LEU 94 HA LEU 94 60.180 69.101 58.953 728 1HB LEU 94 2HB LEU 94 57.839 68.211 58.394 729 2HB LEU 94 1HB LEU 94 58.633 69.352 57.196 730 HG LEU 94 HG LEU 94 59.498 66.799 56.421 731 1HD1 LEU 94 1HD1 LEU 94 57.911 65.388 57.295 732 2HD1 LEU 94 2HD1 LEU 94 56.991 65.940 55.841 733 3HD1 LEU 94 3HD1 LEU 94 56.611 66.681 57.462 734 1HD2 LEU 94 1HD2 LEU 94 59.142 67.936 54.603 735 2HD2 LEU 94 2HD2 LEU 94 57.867 69.001 55.302 736 3HD2 LEU 94 3HD2 LEU 94 57.467 67.334 54.614 737 H VAL 95 H VAL 95 61.817 67.659 59.868 738 HA VAL 95 HA VAL 95 61.388 65.004 60.626 739 HB VAL 95 HB VAL 95 62.282 67.434 62.323 740 1HG1 VAL 95 1HG1 VAL 95 62.296 64.585 63.129 741 2HG1 VAL 95 2HG1 VAL 95 62.582 66.090 64.108 742 3HG1 VAL 95 3HG1 VAL 95 63.897 65.331 63.127 743 1HG2 VAL 95 1HG2 VAL 95 64.586 67.083 61.591 744 2HG2 VAL 95 2HG2 VAL 95 63.606 66.797 60.034 745 3HG2 VAL 95 3HG2 VAL 95 64.233 65.404 61.001 746 H CYS 96 H CYS 96 59.705 64.147 61.530 747 HA CYS 96 HA CYS 96 58.199 65.725 63.572 748 1HB CYS 96 2HB CYS 96 57.108 64.621 61.403 749 2HB CYS 96 1HB CYS 96 57.244 63.071 62.229 750 HG CYS 96 HG CYS 96 55.854 63.401 64.251 751 H VAL 97 H VAL 97 57.572 64.586 65.419 752 HA VAL 97 HA VAL 97 58.695 62.038 66.178 753 HB VAL 97 HB VAL 97 59.203 64.005 68.313 754 1HG1 VAL 97 1HG1 VAL 97 61.481 63.053 68.189 755 2HG1 VAL 97 2HG1 VAL 97 61.252 62.472 66.480 756 3HG1 VAL 97 3HG1 VAL 97 60.344 61.683 67.826 757 1HG2 VAL 97 1HG2 VAL 97 61.072 65.165 67.191 758 2HG2 VAL 97 2HG2 VAL 97 59.398 65.713 66.664 759 3HG2 VAL 97 3HG2 VAL 97 60.490 64.644 65.604 760 H GLN 98 H GLN 98 57.188 61.026 67.149 761 HA GLN 98 HA GLN 98 54.850 62.384 68.385 762 1HB GLN 98 2HB GLN 98 55.173 60.178 66.756 763 2HB GLN 98 1HB GLN 98 55.192 59.336 68.422 764 1HG GLN 98 2HG GLN 98 52.945 59.385 68.396 765 2HG GLN 98 1HG GLN 98 52.981 61.216 68.377 766 1HE2 GLN 98 2HE2 GLN 98 51.737 58.594 66.990 767 2HE2 GLN 98 1HE2 GLN 98 51.516 59.174 65.319 768 H LYS 99 H LYS 99 53.925 61.641 70.332 769 HA LYS 99 HA LYS 99 55.994 60.440 72.231 770 1HB LYS 99 2HB LYS 99 54.256 62.757 73.021 771 2HB LYS 99 1HB LYS 99 55.734 62.134 73.865 772 1HG LYS 99 2HG LYS 99 55.832 63.379 71.029 773 2HG LYS 99 1HG LYS 99 55.782 64.489 72.407 774 1HD LYS 99 2HD LYS 99 57.840 63.486 73.329 775 2HD LYS 99 1HD LYS 99 57.857 62.199 72.016 776 1HE LYS 99 2HE LYS 99 58.440 63.725 70.363 777 2HE LYS 99 1HE LYS 99 57.694 65.109 71.214 778 1HZ LYS 99 1HZ LYS 99 60.098 63.811 72.322 779 2HZ LYS 99 2HZ LYS 99 59.466 65.313 72.673 780 3HZ LYS 99 3HZ LYS 99 60.224 65.033 71.205 781 H GLY 100 H GLY 100 53.746 59.313 71.022 782 1HA GLY 100 1HA GLY 100 51.682 59.384 73.248 783 2HA GLY 100 2HA GLY 100 51.311 58.743 71.628 784 H GLU 101 H GLU 101 53.873 58.355 73.954 785 HA GLU 101 HA GLU 101 54.543 56.742 75.455 786 1HB GLU 101 2HB GLU 101 52.010 55.729 75.178 787 2HB GLU 101 1HB GLU 101 52.870 54.569 74.081 788 1HG GLU 101 2HG GLU 101 53.233 53.415 76.029 789 2HG GLU 101 1HG GLU 101 54.460 54.778 76.433 790 H LYS 102 H LYS 102 55.049 57.440 72.651 791 HA LYS 102 HA LYS 102 56.830 55.199 71.676 792 1HB LYS 102 2HB LYS 102 55.677 57.738 70.420 793 2HB LYS 102 1HB LYS 102 57.100 56.829 69.704 794 1HG LYS 102 2HG LYS 102 55.353 55.637 68.586 795 2HG LYS 102 1HG LYS 102 55.292 54.815 70.214 796 1HD LYS 102 2HD LYS 102 53.564 56.206 71.012 797 2HD LYS 102 1HD LYS 102 53.617 57.251 69.523 798 1HE LYS 102 2HE LYS 102 52.952 55.132 68.147 799 2HE LYS 102 1HE LYS 102 52.819 54.318 69.750 800 1HZ LYS 102 1HZ LYS 102 51.081 55.833 70.334 801 2HZ LYS 102 2HZ LYS 102 50.716 55.361 68.791 802 3HZ LYS 102 3HZ LYS 102 51.377 56.860 69.019 803 H GLU 103 H GLU 103 56.687 58.674 71.842 804 HA GLU 103 HA GLU 103 58.157 60.328 72.055 805 1HB GLU 103 2HB GLU 103 60.012 58.707 73.884 806 2HB GLU 103 1HB GLU 103 59.398 60.391 74.031 807 1HG GLU 103 2HG GLU 103 57.181 59.741 74.574 808 2HG GLU 103 1HG GLU 103 57.683 57.915 74.540 809 H ASN 104 H ASN 104 58.686 58.276 70.202 810 HA ASN 104 HA ASN 104 61.141 59.408 69.189 811 1HB ASN 104 2HB ASN 104 61.925 57.699 70.971 812 2HB ASN 104 1HB ASN 104 61.182 56.368 69.949 813 1HD2 ASN 104 1HD2 ASN 104 62.262 55.751 68.288 814 2HD2 ASN 104 2HD2 ASN 104 63.978 56.422 67.775 815 H ARG 105 H ARG 105 58.621 59.353 68.071 816 HA ARG 105 HA ARG 105 58.903 57.340 65.925 817 1HB ARG 105 2HB ARG 105 56.774 56.900 67.438 818 2HB ARG 105 1HB ARG 105 56.166 58.458 66.720 819 1HG ARG 105 2HG ARG 105 56.563 57.620 64.466 820 2HG ARG 105 1HG ARG 105 57.127 56.032 65.137 821 1HD ARG 105 2HD ARG 105 55.010 55.323 64.915 822 2HD ARG 105 1HD ARG 105 54.724 56.222 66.456 823 HE ARG 105 HE ARG 105 54.398 58.204 64.637 824 1HH1 ARG 105 1HH1 ARG 105 53.182 54.892 64.500 825 2HH1 ARG 105 2HH1 ARG 105 51.769 55.220 63.496 826 1HH2 ARG 105 2HH2 ARG 105 52.543 58.717 63.313 827 2HH2 ARG 105 1HH2 ARG 105 51.398 57.465 62.811 828 H GLY 106 H GLY 106 59.837 58.392 64.562 829 1HA GLY 106 1HA GLY 106 58.486 60.908 63.527 830 2HA GLY 106 2HA GLY 106 60.286 60.651 63.614 831 H TRP 107 H TRP 107 59.245 61.524 61.451 832 HA TRP 107 HA TRP 107 60.018 59.435 59.500 833 1HB TRP 107 2HB TRP 107 58.046 61.025 58.117 834 2HB TRP 107 1HB TRP 107 58.004 59.234 58.509 835 HD1 TRP 107 HD1 TRP 107 56.973 58.854 61.281 836 HE1 TRP 107 HE1 TRP 107 55.135 60.075 62.407 837 HE3 TRP 107 HE3 TRP 107 56.979 62.829 58.278 838 HZ2 TRP 107 HZ2 TRP 107 53.848 62.454 62.037 839 HZ3 TRP 107 HZ3 TRP 107 55.374 64.668 58.676 840 HH2 TRP 107 HH2 TRP 107 53.832 64.421 60.573 841 H LYS 108 H LYS 108 61.673 59.978 58.609 842 HA LYS 108 HA LYS 108 62.294 62.846 58.051 843 1HB LYS 108 2HB LYS 108 63.909 60.231 58.037 844 2HB LYS 108 1HB LYS 108 64.582 61.720 57.207 845 1HG LYS 108 2HG LYS 108 64.177 63.005 59.335 846 2HG LYS 108 1HG LYS 108 63.649 61.464 60.146 847 1HD LYS 108 2HD LYS 108 65.896 60.536 59.992 848 2HD LYS 108 1HD LYS 108 66.467 61.800 58.816 849 1HE LYS 108 2HE LYS 108 65.552 63.386 60.852 850 2HE LYS 108 1HE LYS 108 66.094 61.936 61.826 851 1HZ LYS 108 1HZ LYS 108 68.112 62.228 60.125 852 2HZ LYS 108 2HZ LYS 108 68.124 62.714 61.696 853 3HZ LYS 108 3HZ LYS 108 67.786 63.814 60.419 854 H GLN 109 H GLN 109 60.418 62.715 56.661 855 HA GLN 109 HA GLN 109 60.866 61.450 53.974 856 1HB GLN 109 2HB GLN 109 58.778 62.952 55.347 857 2HB GLN 109 1HB GLN 109 58.940 63.476 53.578 858 1HG GLN 109 2HG GLN 109 59.147 60.750 53.367 859 2HG GLN 109 1HG GLN 109 58.086 60.908 54.916 860 1HE2 GLN 109 1HE2 GLN 109 57.775 60.084 52.121 861 2HE2 GLN 109 2HE2 GLN 109 56.269 61.049 51.507 862 H TRP 110 H TRP 110 62.835 62.452 53.047 863 HA TRP 110 HA TRP 110 62.754 65.481 53.303 864 1HB TRP 110 2HB TRP 110 65.006 65.484 53.183 865 2HB TRP 110 1HB TRP 110 64.616 63.916 54.092 866 HD1 TRP 110 HD1 TRP 110 65.433 65.043 50.468 867 HE1 TRP 110 HE1 TRP 110 66.739 63.048 49.360 868 HE3 TRP 110 HE3 TRP 110 65.099 61.965 54.268 869 HZ2 TRP 110 HZ2 TRP 110 67.419 60.513 50.261 870 HZ3 TRP 110 HZ3 TRP 110 66.045 59.730 54.255 871 HH2 TRP 110 HH2 TRP 110 67.181 58.999 52.320 872 H VAL 111 H VAL 111 61.892 63.207 51.047 873 HA VAL 111 HA VAL 111 61.196 63.363 48.769 874 HB VAL 111 HB VAL 111 61.460 66.408 49.307 875 1HG1 VAL 111 1HG1 VAL 111 59.948 66.700 47.518 876 2HG1 VAL 111 2HG1 VAL 111 59.296 64.983 47.726 877 3HG1 VAL 111 3HG1 VAL 111 60.866 65.276 46.986 878 1HG2 VAL 111 1HG2 VAL 111 60.157 65.349 51.292 879 2HG2 VAL 111 2HG2 VAL 111 59.227 64.439 50.045 880 3HG2 VAL 111 3HG2 VAL 111 59.094 66.283 50.102 881 H GLU 112 H GLU 112 62.087 62.951 47.065 882 HA GLU 112 HA GLU 112 64.404 64.633 46.196 883 1HB GLU 112 2HB GLU 112 63.962 61.654 46.200 884 2HB GLU 112 1HB GLU 112 65.020 62.401 44.926 885 1HG GLU 112 2HG GLU 112 65.274 62.935 47.979 886 2HG GLU 112 1HG GLU 112 66.107 61.509 47.044 887 H GLY 113 H GLY 113 61.308 63.366 45.389 888 1HA GLY 113 1HA GLY 113 59.990 64.268 43.544 889 2HA GLY 113 2HA GLY 113 61.485 64.500 42.571 890 H ASP 114 H ASP 114 58.913 62.617 43.494 891 HA ASP 114 HA ASP 114 57.843 60.818 42.438 892 1HB ASP 114 2HB ASP 114 60.471 60.164 40.947 893 2HB ASP 114 1HB ASP 114 58.713 59.829 40.458 894 H LYS 115 H LYS 115 60.965 60.458 43.866 895 HA LYS 115 HA LYS 115 60.264 57.796 44.987 896 1HB LYS 115 2HB LYS 115 61.959 57.737 42.836 897 2HB LYS 115 1HB LYS 115 63.088 58.556 43.982 898 1HG LYS 115 2HG LYS 115 63.539 56.195 44.293 899 2HG LYS 115 1HG LYS 115 62.595 56.803 45.745 900 1HD LYS 115 2HD LYS 115 60.586 55.759 45.034 901 2HD LYS 115 1HD LYS 115 61.068 55.688 43.311 902 1HE LYS 115 2HE LYS 115 63.072 54.117 44.169 903 2HE LYS 115 1HE LYS 115 62.168 54.191 45.756 904 1HZ LYS 115 1HZ LYS 115 60.931 53.129 43.257 905 2HZ LYS 115 2HZ LYS 115 60.425 52.891 44.852 906 3HZ LYS 115 3HZ LYS 115 61.786 52.173 44.320 907 H LEU 116 H LEU 116 60.259 58.090 47.046 908 HA LEU 116 HA LEU 116 62.399 60.004 48.089 909 1HB LEU 116 2HB LEU 116 60.334 59.771 50.060 910 2HB LEU 116 1HB LEU 116 60.922 61.232 49.159 911 HG LEU 116 HG LEU 116 58.960 59.333 47.880 912 1HD1 LEU 116 1HD1 LEU 116 57.094 60.463 48.990 913 2HD1 LEU 116 2HD1 LEU 116 58.121 61.882 49.455 914 3HD1 LEU 116 3HD1 LEU 116 58.363 60.268 50.255 915 1HD2 LEU 116 1HD2 LEU 116 60.245 61.194 46.576 916 2HD2 LEU 116 2HD2 LEU 116 59.193 62.403 47.443 917 3HD2 LEU 116 3HD2 LEU 116 58.449 61.155 46.370 918 H TYR 117 H TYR 117 63.007 59.751 50.378 919 HA TYR 117 HA TYR 117 62.837 56.814 51.020 920 1HB TYR 117 2HB TYR 117 65.193 58.801 50.963 921 2HB TYR 117 1HB TYR 117 65.302 57.180 51.803 922 HD1 TYR 117 HD1 TYR 117 66.846 58.537 49.200 923 HD2 TYR 117 HD2 TYR 117 63.651 55.611 49.563 924 HE1 TYR 117 HE1 TYR 117 67.403 57.663 47.056 925 HE2 TYR 117 HE2 TYR 117 64.294 54.763 47.322 926 HH TYR 117 HH TYR 117 67.013 56.128 45.485 927 H LEU 118 H LEU 118 61.109 57.429 52.115 928 HA LEU 118 HA LEU 118 61.449 59.234 54.430 929 1HB LEU 118 2HB LEU 118 59.285 58.807 53.416 930 2HB LEU 118 1HB LEU 118 59.445 57.031 53.689 931 HG LEU 118 HG LEU 118 59.169 57.330 56.131 932 1HD1 LEU 118 1HD1 LEU 118 60.023 60.091 55.426 933 2HD1 LEU 118 2HD1 LEU 118 60.282 59.180 56.974 934 3HD1 LEU 118 3HD1 LEU 118 58.709 60.035 56.591 935 1HD2 LEU 118 1HD2 LEU 118 56.826 57.521 55.507 936 2HD2 LEU 118 2HD2 LEU 118 57.296 58.740 54.237 937 3HD2 LEU 118 3HD2 LEU 118 57.099 59.190 56.009 938 H GLU 119 H GLU 119 62.423 58.779 56.389 939 HA GLU 119 HA GLU 119 63.194 55.852 56.851 940 1HB GLU 119 2HB GLU 119 64.859 58.222 57.762 941 2HB GLU 119 1HB GLU 119 65.274 56.470 57.613 942 1HG GLU 119 2HG GLU 119 64.449 57.204 54.979 943 2HG GLU 119 1HG GLU 119 65.350 58.624 55.644 944 H LEU 120 H LEU 120 61.642 55.220 58.072 945 HA LEU 120 HA LEU 120 60.597 56.893 60.219 946 1HB LEU 120 2HB LEU 120 60.197 54.095 59.293 947 2HB LEU 120 1HB LEU 120 59.743 54.432 61.031 948 HG LEU 120 HG LEU 120 58.197 54.911 58.645 949 1HD1 LEU 120 1HD1 LEU 120 57.469 54.466 61.246 950 2HD1 LEU 120 2HD1 LEU 120 56.456 55.512 60.154 951 3HD1 LEU 120 3HD1 LEU 120 57.521 56.280 61.392 952 1HD2 LEU 120 1HD2 LEU 120 59.454 57.206 58.641 953 2HD2 LEU 120 2HD2 LEU 120 58.460 57.654 60.049 954 3HD2 LEU 120 3HD2 LEU 120 57.627 57.155 58.533 955 H THR 121 H THR 121 60.849 56.716 62.361 956 HA THR 121 HA THR 121 63.295 55.125 63.231 957 HB THR 121 HB THR 121 63.576 57.226 64.856 958 HG1 THR 121 1HG THR 121 62.620 58.575 62.624 959 1HG2 THR 121 1HG2 THR 121 64.976 56.398 62.625 960 2HG2 THR 121 2HG2 THR 121 65.322 58.003 63.342 961 3HG2 THR 121 3HG2 THR 121 64.249 57.869 61.862 962 H CYS 122 H CYS 122 60.162 55.079 63.254 963 HA CYS 122 HA CYS 122 59.217 55.311 65.935 964 1HB CYS 122 2HB CYS 122 57.461 53.788 65.116 965 2HB CYS 122 1HB CYS 122 57.879 54.866 63.748 966 HG CYS 122 HG CYS 122 59.936 52.758 63.308 967 H GLY 123 H GLY 123 58.749 53.979 67.446 968 1HA GLY 123 1HA GLY 123 59.193 52.093 68.929 969 2HA GLY 123 2HA GLY 123 59.985 51.330 67.460 970 H ASP 124 H ASP 124 61.355 50.612 69.027 971 HA ASP 124 HA ASP 124 63.517 52.347 70.124 972 1HB ASP 124 2HB ASP 124 62.561 49.481 70.412 973 2HB ASP 124 1HB ASP 124 64.363 49.760 70.580 974 H GLN 125 H GLN 125 62.604 50.878 67.349 975 HA GLN 125 HA GLN 125 65.513 50.412 66.535 976 1HB GLN 125 2HB GLN 125 63.100 48.770 66.311 977 2HB GLN 125 1HB GLN 125 63.454 49.332 64.655 978 1HG GLN 125 2HG GLN 125 64.903 47.753 64.447 979 2HG GLN 125 1HG GLN 125 65.986 48.632 65.656 980 1HE2 GLN 125 1HE2 GLN 125 66.406 47.629 67.511 981 2HE2 GLN 125 2HE2 GLN 125 65.343 46.203 68.133 982 H VAL 126 H VAL 126 65.192 50.344 64.000 983 HA VAL 126 HA VAL 126 64.057 52.911 63.057 984 HB VAL 126 HB VAL 126 67.020 51.969 62.723 985 1HG1 VAL 126 1HG1 VAL 126 65.782 53.164 60.687 986 2HG1 VAL 126 2HG1 VAL 126 67.189 54.129 61.370 987 3HG1 VAL 126 3HG1 VAL 126 65.436 54.521 61.783 988 1HG2 VAL 126 1HG2 VAL 126 66.344 52.969 64.871 989 2HG2 VAL 126 2HG2 VAL 126 65.672 54.434 64.076 990 3HG2 VAL 126 3HG2 VAL 126 67.450 54.131 63.987 991 H CYS 127 H CYS 127 63.265 52.789 60.952 992 HA CYS 127 HA CYS 127 63.946 50.375 59.223 993 1HB CYS 127 2HB CYS 127 61.143 51.580 59.326 994 2HB CYS 127 1HB CYS 127 61.648 49.915 58.901 995 HG CYS 127 HG CYS 127 60.669 51.180 61.666 996 H ARG 128 H ARG 128 63.214 50.744 56.972 997 HA ARG 128 HA ARG 128 63.565 53.748 56.497 998 1HB ARG 128 2HB ARG 128 65.590 52.762 55.949 999 2HB ARG 128 1HB ARG 128 64.871 51.283 55.207 1000 1HG ARG 128 2HG ARG 128 63.875 53.501 53.615 1001 2HG ARG 128 1HG ARG 128 65.584 53.848 53.829 1002 1HD ARG 128 2HD ARG 128 65.780 51.150 53.298 1003 2HD ARG 128 1HD ARG 128 64.076 51.427 52.704 1004 HE ARG 128 HE ARG 128 64.974 52.397 50.806 1005 1HH1 ARG 128 2HH2 ARG 128 67.335 52.744 53.423 1006 2HH1 ARG 128 1HH2 ARG 128 68.532 53.531 52.431 1007 1HH2 ARG 128 2HH1 ARG 128 66.521 53.423 49.489 1008 2HH2 ARG 128 1HH1 ARG 128 68.084 53.932 50.153 1009 H GLN 129 H GLN 129 61.550 54.442 56.038 1010 HA GLN 129 HA GLN 129 59.744 52.731 54.539 1011 1HB GLN 129 2HB GLN 129 59.820 55.572 55.503 1012 2HB GLN 129 1HB GLN 129 58.925 55.264 53.906 1013 1HG GLN 129 2HG GLN 129 57.508 55.098 56.067 1014 2HG GLN 129 1HG GLN 129 57.430 53.826 54.752 1015 1HE2 GLN 129 1HE2 GLN 129 56.856 52.158 56.375 1016 2HE2 GLN 129 2HE2 GLN 129 58.076 51.581 57.551 1017 H VAL 130 H VAL 130 59.121 52.700 52.389 1018 HA VAL 130 HA VAL 130 60.946 54.136 50.517 1019 HB VAL 130 HB VAL 130 59.638 51.277 50.162 1020 1HG1 VAL 130 1HG1 VAL 130 61.217 53.226 48.305 1021 2HG1 VAL 130 2HG1 VAL 130 59.652 52.397 47.920 1022 3HG1 VAL 130 3HG1 VAL 130 61.229 51.470 48.075 1023 1HG2 VAL 130 1HG2 VAL 130 61.585 50.288 50.318 1024 2HG2 VAL 130 2HG2 VAL 130 61.881 51.533 51.570 1025 3HG2 VAL 130 3HG2 VAL 130 62.581 51.810 49.924 1026 H PHE 131 H PHE 131 59.839 55.587 49.825 1027 HA PHE 131 HA PHE 131 56.910 55.476 49.145 1028 1HB PHE 131 2HB PHE 131 59.009 57.461 50.165 1029 2HB PHE 131 1HB PHE 131 57.674 58.111 49.065 1030 HD1 PHE 131 HD1 PHE 131 57.590 55.495 51.884 1031 HD2 PHE 131 HD2 PHE 131 56.253 59.255 50.292 1032 HE1 PHE 131 HE1 PHE 131 55.950 55.660 53.809 1033 HE2 PHE 131 HE2 PHE 131 54.676 59.440 52.101 1034 HZ PHE 131 HZ PHE 131 54.552 57.622 53.864 1035 H LYS 132 H LYS 132 56.221 56.561 47.279 1036 HA LYS 132 HA LYS 132 58.083 57.654 45.338 1037 1HB LYS 132 2HB LYS 132 57.111 55.702 43.667 1038 2HB LYS 132 1HB LYS 132 58.633 55.458 44.585 1039 1HG LYS 132 2HG LYS 132 57.659 53.903 46.015 1040 2HG LYS 132 1HG LYS 132 55.940 54.571 45.847 1041 1HD LYS 132 2HD LYS 132 57.294 53.566 43.401 1042 2HD LYS 132 1HD LYS 132 56.420 52.349 44.518 1043 1HE LYS 132 2HE LYS 132 54.362 53.644 44.244 1044 2HE LYS 132 1HE LYS 132 55.220 54.954 43.396 1045 1HZ LYS 132 1HZ LYS 132 54.010 53.286 41.969 1046 2HZ LYS 132 2HZ LYS 132 55.095 52.099 42.525 1047 3HZ LYS 132 3HZ LYS 132 55.577 53.385 41.536 1048 H LYS 133 H LYS 133 57.014 58.543 43.804 1049 HA LYS 133 HA LYS 133 54.998 58.866 42.379 1050 1HB LYS 133 2HB LYS 133 53.533 57.419 44.205 1051 2HB LYS 133 1HB LYS 133 53.143 59.185 44.652 1052 1HG LYS 133 2HG LYS 133 53.098 59.290 41.929 1053 2HG LYS 133 1HG LYS 133 52.644 57.553 42.199 1054 1HD LYS 133 2HD LYS 133 50.596 57.983 42.844 1055 2HD LYS 133 1HD LYS 133 51.154 59.256 44.003 1056 1HE LYS 133 2HE LYS 133 49.797 60.346 42.341 1057 2HE LYS 133 1HE LYS 133 51.589 60.790 42.036 1058 1HZ LYS 133 1HZ LYS 133 51.659 59.262 40.278 1059 2HZ LYS 133 2HZ LYS 133 50.279 60.123 39.999 1060 3HZ LYS 133 3HZ LYS 133 50.178 58.555 40.633 1061 H LYS 134 H LYS 134 53.193 60.860 43.074 1062 HA LYS 134 HA LYS 134 54.652 62.984 44.456 1063 1HB LYS 134 2HB LYS 134 55.446 64.151 42.292 1064 2HB LYS 134 1HB LYS 134 56.115 62.495 42.366 1065 1HG LYS 134 2HG LYS 134 53.436 63.047 40.964 1066 2HG LYS 134 1HG LYS 134 55.027 63.360 40.130 1067 1HD LYS 134 2HD LYS 134 55.367 60.899 41.308 1068 2HD LYS 134 1HD LYS 134 53.624 60.851 40.668 1069 1HE LYS 134 2HE LYS 134 55.034 60.125 38.864 1070 2HE LYS 134 1HE LYS 134 54.592 61.889 38.521 1071 1HZ LYS 134 1HZ LYS 134 56.818 62.480 39.113 1072 2HZ LYS 134 2HZ LYS 134 57.079 60.980 38.344 1073 3HZ LYS 134 3HZ LYS 134 57.067 61.102 39.966 1074 1H2 RTL 135 1H2 RET 135 46.790 50.995 58.830 1075 2H2 RTL 135 2H2 RET 135 47.162 51.966 60.178 1076 1H3 RTL 135 1H3 RET 135 47.340 50.015 61.347 1077 2H3 RTL 135 2H3 RET 135 47.275 49.109 59.945 1078 1H4 RTL 135 1H4 RET 135 49.602 48.780 59.845 1079 2H4 RTL 135 2H4 RET 135 49.493 49.062 61.532 1080 H7 RTL 135 H7 RET 135 51.908 52.407 58.935 1081 H8 RTL 135 H8 RET 135 49.803 54.378 60.108 1082 H10 RTL 135 H10 RET 135 50.291 56.098 58.085 1083 H11 RTL 135 H11 RET 135 53.048 56.895 57.682 1084 H12 RTL 135 H12 RET 135 51.035 58.927 58.904 1085 H14 RTL 135 H14 RET 135 51.387 60.566 56.778 1086 1H15 RTL 135 1H15 RET 135 52.699 62.316 55.931 1087 2H15 RTL 135 2H15 RET 135 54.202 61.468 56.459 1088 HO1 RTL 135 H51 RET 135 53.509 61.992 58.566 1089 1H16 RTL 135 1H16 RET 135 48.110 50.705 57.024 1090 2H16 RTL 135 2H16 RET 135 49.744 50.242 57.567 1091 3H16 RTL 135 3H16 RET 135 49.475 51.820 56.807 1092 1H17 RTL 135 1H17 RET 135 49.414 53.498 57.712 1093 2H17 RTL 135 2H17 RET 135 48.030 53.742 58.817 1094 3H17 RTL 135 3H17 RET 135 47.865 52.836 57.305 1095 1H18 RTL 135 1H18 RET 135 51.296 49.981 62.211 1096 2H18 RTL 135 2H18 RET 135 51.876 51.477 61.566 1097 3H18 RTL 135 3H18 RET 135 52.291 49.868 60.800 1098 1H19 RTL 135 1H19 RET 135 53.342 56.104 60.223 1099 2H19 RTL 135 2H19 RET 135 53.735 54.621 59.412 1100 3H19 RTL 135 3H19 RET 135 52.887 54.577 61.017 1101 1H20 RTL 135 1H20 RET 135 54.130 60.024 59.654 1102 2H20 RTL 135 2H20 RET 135 54.847 60.205 58.035 1103 3H20 RTL 135 3H20 RET 135 54.495 58.562 58.719 Start of MODEL 17 1 1H MET 1 1H MET 1 65.191 74.185 43.178 2 2H MET 1 2H MET 1 64.191 75.086 42.160 3 3H MET 1 3H MET 1 64.126 73.377 42.242 4 HA MET 1 HA MET 1 62.912 75.317 44.088 5 1HB MET 1 2HB MET 1 61.146 73.756 44.167 6 2HB MET 1 1HB MET 1 61.729 73.454 42.461 7 1HG MET 1 2HG MET 1 63.380 71.706 43.534 8 2HG MET 1 1HG MET 1 62.467 71.802 44.995 9 1HE MET 1 1HE MET 1 63.089 70.795 41.665 10 2HE MET 1 2HE MET 1 61.520 70.573 40.731 11 3HE MET 1 3HE MET 1 62.102 69.253 41.607 12 H THR 2 H THR 2 62.633 74.975 46.156 13 HA THR 2 HA THR 2 64.809 73.199 47.394 14 HB THR 2 HB THR 2 63.354 74.936 49.318 15 HG1 THR 2 1HG THR 2 64.196 76.076 46.914 16 1HG2 THR 2 1HG2 THR 2 66.234 74.794 48.033 17 2HG2 THR 2 2HG2 THR 2 65.765 73.922 49.493 18 3HG2 THR 2 3HG2 THR 2 65.885 75.751 49.524 19 H LYS 3 H LYS 3 61.619 74.515 48.367 20 HA LYS 3 HA LYS 3 60.843 71.633 49.066 21 1HB LYS 3 2HB LYS 3 59.920 72.509 51.191 22 2HB LYS 3 1HB LYS 3 61.719 72.699 51.117 23 1HG LYS 3 2HG LYS 3 61.514 75.037 50.675 24 2HG LYS 3 1HG LYS 3 59.773 74.865 50.137 25 1HD LYS 3 2HD LYS 3 59.314 75.658 52.291 26 2HD LYS 3 1HD LYS 3 59.474 73.905 52.570 27 1HE LYS 3 2HE LYS 3 60.762 75.153 54.320 28 2HE LYS 3 1HE LYS 3 61.969 74.369 53.159 29 1HZ LYS 3 1HZ LYS 3 62.248 76.447 52.092 30 2HZ LYS 3 2HZ LYS 3 62.325 76.792 53.701 31 3HZ LYS 3 3HZ LYS 3 60.906 77.113 52.815 32 H ASP 4 H ASP 4 58.697 71.366 49.854 33 HA ASP 4 HA ASP 4 56.388 72.670 49.683 34 1HB ASP 4 2HB ASP 4 57.415 72.499 46.841 35 2HB ASP 4 1HB ASP 4 55.726 71.824 47.172 36 H GLN 5 H GLN 5 56.161 70.952 51.073 37 HA GLN 5 HA GLN 5 56.662 68.221 50.375 38 1HB GLN 5 2HB GLN 5 55.046 69.889 52.322 39 2HB GLN 5 1HB GLN 5 54.592 68.107 52.190 40 1HG GLN 5 2HG GLN 5 57.528 68.765 52.403 41 2HG GLN 5 1HG GLN 5 56.439 68.989 53.904 42 1HE2 GLN 5 2HE2 GLN 5 58.498 67.010 52.403 43 2HE2 GLN 5 1HE2 GLN 5 57.910 65.418 52.886 44 H ASN 6 H ASN 6 53.546 69.737 50.635 45 HA ASN 6 HA ASN 6 51.601 68.405 49.743 46 1HB ASN 6 2HB ASN 6 51.938 70.342 47.417 47 2HB ASN 6 1HB ASN 6 50.640 70.265 48.748 48 1HD2 ASN 6 1HD2 ASN 6 50.434 72.044 49.632 49 2HD2 ASN 6 2HD2 ASN 6 51.901 73.046 50.280 50 H GLY 7 H GLY 7 51.722 66.484 49.045 51 1HA GLY 7 1HA GLY 7 51.766 66.067 46.111 52 2HA GLY 7 2HA GLY 7 53.241 65.542 46.931 53 H THR 8 H THR 8 52.074 63.813 45.705 54 HA THR 8 HA THR 8 50.477 62.033 47.473 55 HB THR 8 HB THR 8 50.663 62.044 44.371 56 HG1 THR 8 1HG THR 8 48.690 63.005 44.419 57 1HG2 THR 8 1HG2 THR 8 48.950 60.809 46.699 58 2HG2 THR 8 2HG2 THR 8 49.782 59.823 45.430 59 3HG2 THR 8 3HG2 THR 8 48.307 60.802 44.986 60 H TRP 9 H TRP 9 51.078 59.933 47.300 61 HA TRP 9 HA TRP 9 53.497 59.032 45.951 62 1HB TRP 9 2HB TRP 9 54.445 58.752 48.681 63 2HB TRP 9 1HB TRP 9 55.220 59.677 47.329 64 HD1 TRP 9 HD1 TRP 9 52.009 60.164 49.461 65 HE1 TRP 9 HE1 TRP 9 51.849 62.513 50.478 66 HE3 TRP 9 HE3 TRP 9 56.332 61.724 47.634 67 HZ2 TRP 9 HZ2 TRP 9 53.532 64.663 50.349 68 HZ3 TRP 9 HZ3 TRP 9 57.099 64.075 48.119 69 HH2 TRP 9 HH2 TRP 9 55.718 65.481 49.442 70 H GLU 10 H GLU 10 52.201 57.302 45.420 71 HA GLU 10 HA GLU 10 50.901 55.623 47.348 72 1HB GLU 10 2HB GLU 10 51.795 55.443 44.479 73 2HB GLU 10 1HB GLU 10 51.833 53.812 45.348 74 1HG GLU 10 2HG GLU 10 49.421 54.652 46.189 75 2HG GLU 10 1HG GLU 10 49.574 55.570 44.558 76 H MET 11 H MET 11 51.901 55.021 49.002 77 HA MET 11 HA MET 11 54.710 54.458 49.401 78 1HB MET 11 2HB MET 11 51.976 53.601 50.612 79 2HB MET 11 1HB MET 11 53.513 52.755 51.146 80 1HG MET 11 2HG MET 11 54.218 54.523 52.365 81 2HG MET 11 1HG MET 11 53.929 55.618 50.997 82 1HE MET 11 1HE MET 11 53.740 55.124 54.240 83 2HE MET 11 2HE MET 11 52.058 55.105 55.031 84 3HE MET 11 3HE MET 11 52.776 56.620 54.559 85 H GLU 12 H GLU 12 56.005 52.974 49.022 86 HA GLU 12 HA GLU 12 55.179 50.567 47.425 87 1HB GLU 12 2HB GLU 12 57.174 52.384 46.798 88 2HB GLU 12 1HB GLU 12 58.079 51.229 47.876 89 1HG GLU 12 2HG GLU 12 57.623 49.377 46.546 90 2HG GLU 12 1HG GLU 12 56.210 50.211 45.682 91 H SER 13 H SER 13 57.735 51.447 49.802 92 HA SER 13 HA SER 13 56.922 48.993 51.407 93 1HB SER 13 2HB SER 13 58.922 47.864 50.958 94 2HB SER 13 1HB SER 13 59.163 49.061 49.528 95 HG SER 13 HG SER 13 60.254 48.829 51.981 96 H ASN 14 H ASN 14 58.295 48.622 53.068 97 HA ASN 14 HA ASN 14 59.542 50.836 54.583 98 1HB ASN 14 2HB ASN 14 57.415 48.937 55.879 99 2HB ASN 14 1HB ASN 14 58.109 50.499 56.511 100 1HD2 ASN 14 1HD2 ASN 14 55.763 48.847 54.697 101 2HD2 ASN 14 2HD2 ASN 14 54.866 50.392 54.024 102 H GLU 15 H GLU 15 61.444 50.047 55.236 103 HA GLU 15 HA GLU 15 61.524 47.126 55.354 104 1HB GLU 15 2HB GLU 15 63.685 49.143 56.551 105 2HB GLU 15 1HB GLU 15 63.967 47.487 55.862 106 1HG GLU 15 2HG GLU 15 62.920 48.287 53.696 107 2HG GLU 15 1HG GLU 15 63.251 50.011 54.424 108 H ASN 16 H ASN 16 62.961 46.438 57.423 109 HA ASN 16 HA ASN 16 62.570 45.548 59.455 110 1HB ASN 16 2HB ASN 16 64.198 47.390 59.956 111 2HB ASN 16 1HB ASN 16 62.733 48.566 59.946 112 1HD2 ASN 16 2HD2 ASN 16 63.550 49.234 61.850 113 2HD2 ASN 16 1HD2 ASN 16 63.088 48.226 63.397 114 H PHE 17 H PHE 17 60.415 45.548 58.277 115 HA PHE 17 HA PHE 17 58.047 46.886 58.808 116 1HB PHE 17 2HB PHE 17 58.683 43.861 58.645 117 2HB PHE 17 1HB PHE 17 56.992 44.518 58.829 118 HD1 PHE 17 HD1 PHE 17 56.298 46.377 57.201 119 HD2 PHE 17 HD2 PHE 17 59.584 43.832 56.534 120 HE1 PHE 17 HE1 PHE 17 56.251 46.879 54.813 121 HE2 PHE 17 HE2 PHE 17 59.611 44.285 54.100 122 HZ PHE 17 HZ PHE 17 57.934 45.818 53.133 123 H GLU 18 H GLU 18 59.597 44.518 60.844 124 HA GLU 18 HA GLU 18 57.646 44.086 62.924 125 1HB GLU 18 2HB GLU 18 60.706 44.070 62.583 126 2HB GLU 18 1HB GLU 18 60.091 44.277 64.251 127 1HG GLU 18 2HG GLU 18 58.513 42.306 63.745 128 2HG GLU 18 1HG GLU 18 59.859 41.831 62.477 129 H GLY 19 H GLY 19 59.850 46.934 62.594 130 1HA GLY 19 1HA GLY 19 59.069 47.683 65.397 131 2HA GLY 19 2HA GLY 19 60.074 48.692 64.309 132 H TYR 20 H TYR 20 57.918 47.981 62.129 133 HA TYR 20 HA TYR 20 56.212 50.339 62.537 134 1HB TYR 20 2HB TYR 20 56.938 48.583 60.424 135 2HB TYR 20 1HB TYR 20 55.324 47.910 60.898 136 HD1 TYR 20 HD1 TYR 20 56.515 51.432 60.666 137 HD2 TYR 20 HD2 TYR 20 53.950 48.307 59.374 138 HE1 TYR 20 HE1 TYR 20 55.262 53.070 59.177 139 HE2 TYR 20 HE2 TYR 20 52.670 49.842 57.879 140 HH TYR 20 HH TYR 20 53.860 53.168 57.402 141 H MET 21 H MET 21 56.027 46.887 63.266 142 HA MET 21 HA MET 21 53.201 47.005 63.997 143 1HB MET 21 2HB MET 21 54.148 44.945 63.179 144 2HB MET 21 1HB MET 21 55.581 45.106 64.280 145 1HG MET 21 2HG MET 21 53.452 44.980 66.126 146 2HG MET 21 1HG MET 21 52.712 44.079 64.835 147 1HE MET 21 1HE MET 21 53.228 43.456 67.574 148 2HE MET 21 2HE MET 21 54.739 42.540 68.071 149 3HE MET 21 3HE MET 21 53.433 41.669 67.384 150 H LYS 22 H LYS 22 56.369 46.959 65.509 151 HA LYS 22 HA LYS 22 55.314 47.020 68.189 152 1HB LYS 22 2HB LYS 22 58.065 46.599 66.966 153 2HB LYS 22 1HB LYS 22 58.068 47.808 68.345 154 1HG LYS 22 2HG LYS 22 56.689 46.255 69.709 155 2HG LYS 22 1HG LYS 22 56.822 45.019 68.368 156 1HD LYS 22 2HD LYS 22 58.607 44.624 70.133 157 2HD LYS 22 1HD LYS 22 59.381 45.197 68.598 158 1HE LYS 22 2HE LYS 22 59.961 47.247 69.532 159 2HE LYS 22 1HE LYS 22 58.366 47.371 70.377 160 1HZ LYS 22 1HZ LYS 22 60.915 46.103 71.215 161 2HZ LYS 22 2HZ LYS 22 59.437 45.539 71.825 162 3HZ LYS 22 3HZ LYS 22 59.864 47.070 72.128 163 H ALA 23 H ALA 23 55.841 49.424 65.955 164 HA ALA 23 HA ALA 23 56.411 51.395 68.037 165 1HB ALA 23 1HB ALA 23 57.080 52.097 65.900 166 2HB ALA 23 2HB ALA 23 55.599 53.076 66.138 167 3HB ALA 23 3HB ALA 23 55.597 51.553 65.053 168 H LEU 24 H LEU 24 53.811 49.777 66.931 169 HA LEU 24 HA LEU 24 51.961 50.762 68.992 170 1HB LEU 24 2HB LEU 24 50.136 51.159 67.104 171 2HB LEU 24 1HB LEU 24 51.464 52.415 67.146 172 HG LEU 24 HG LEU 24 52.326 50.124 65.522 173 1HD1 LEU 24 1HD1 LEU 24 50.131 51.375 63.917 174 2HD1 LEU 24 2HD1 LEU 24 49.459 50.555 65.324 175 3HD1 LEU 24 3HD1 LEU 24 50.583 49.646 64.193 176 1HD2 LEU 24 1HD2 LEU 24 52.353 52.156 63.721 177 2HD2 LEU 24 2HD2 LEU 24 53.524 52.027 65.054 178 3HD2 LEU 24 3HD2 LEU 24 52.045 53.106 65.243 179 H ASP 25 H ASP 25 52.293 48.891 69.508 180 HA ASP 25 HA ASP 25 52.155 46.350 68.125 181 1HB ASP 25 2HB ASP 25 51.185 46.347 70.969 182 2HB ASP 25 1HB ASP 25 52.543 45.392 70.134 183 H ILE 26 H ILE 26 50.479 46.790 66.732 184 HA ILE 26 HA ILE 26 47.774 46.946 67.785 185 HB ILE 26 HB ILE 26 49.041 46.526 65.013 186 1HG1 ILE 26 2HG1 ILE 26 47.018 48.604 65.771 187 2HG1 ILE 26 1HG1 ILE 26 48.814 48.747 66.086 188 1HG2 ILE 26 1HG2 ILE 26 46.823 45.159 65.007 189 2HG2 ILE 26 2HG2 ILE 26 46.758 46.588 63.949 190 3HG2 ILE 26 3HG2 ILE 26 46.046 46.738 65.622 191 1HD1 ILE 26 1HD1 ILE 26 47.428 48.277 63.294 192 2HD1 ILE 26 2HD1 ILE 26 49.227 48.123 63.617 193 3HD1 ILE 26 3HD1 ILE 26 48.362 49.682 63.850 194 H ASP 27 H ASP 27 49.307 44.616 65.695 195 HA ASP 27 HA ASP 27 49.016 42.373 67.469 196 1HB ASP 27 2HB ASP 27 47.262 41.044 66.305 197 2HB ASP 27 1HB ASP 27 46.613 42.682 66.929 198 H PHE 28 H PHE 28 49.011 40.209 65.672 199 HA PHE 28 HA PHE 28 51.595 40.777 64.422 200 1HB PHE 28 2HB PHE 28 49.602 38.385 64.658 201 2HB PHE 28 1HB PHE 28 51.135 38.229 63.702 202 HD1 PHE 28 HD1 PHE 28 53.195 39.303 65.225 203 HD2 PHE 28 HD2 PHE 28 49.505 37.732 66.720 204 HE1 PHE 28 HE1 PHE 28 54.334 38.900 67.463 205 HE2 PHE 28 HE2 PHE 28 50.607 37.320 68.966 206 HZ PHE 28 HZ PHE 28 52.983 37.903 69.294 207 H ALA 29 H ALA 29 48.253 40.737 63.489 208 HA ALA 29 HA ALA 29 48.417 40.122 60.628 209 1HB ALA 29 1HB ALA 29 46.190 41.205 60.636 210 2HB ALA 29 2HB ALA 29 46.494 41.868 62.302 211 3HB ALA 29 3HB ALA 29 46.327 40.062 62.061 212 H THR 30 H THR 30 48.946 43.004 62.590 213 HA THR 30 HA THR 30 48.790 44.911 60.612 214 HB THR 30 HB THR 30 50.381 44.754 63.220 215 HG1 THR 30 1HG THR 30 47.959 45.204 62.452 216 1HG2 THR 30 1HG2 THR 30 50.858 47.110 63.061 217 2HG2 THR 30 2HG2 THR 30 49.880 47.347 61.554 218 3HG2 THR 30 3HG2 THR 30 51.456 46.465 61.437 219 H ARG 31 H ARG 31 51.610 43.291 61.808 220 HA ARG 31 HA ARG 31 53.645 44.487 60.189 221 1HB ARG 31 2HB ARG 31 54.836 43.646 61.764 222 2HB ARG 31 1HB ARG 31 53.520 42.575 62.325 223 1HG ARG 31 2HG ARG 31 55.120 41.591 59.876 224 2HG ARG 31 1HG ARG 31 55.845 41.583 61.547 225 1HD ARG 31 2HD ARG 31 53.486 40.510 62.163 226 2HD ARG 31 1HD ARG 31 53.296 40.126 60.407 227 HE ARG 31 HE ARG 31 55.879 39.295 61.227 228 1HH1 ARG 31 1HH1 ARG 31 52.374 38.682 61.784 229 2HH1 ARG 31 2HH1 ARG 31 52.610 36.960 62.146 230 1HH2 ARG 31 2HH2 ARG 31 56.128 36.997 61.714 231 2HH2 ARG 31 1HH2 ARG 31 54.760 35.968 62.131 232 H LYS 32 H LYS 32 51.679 41.490 59.664 233 HA LYS 32 HA LYS 32 53.211 40.683 57.298 234 1HB LYS 32 2HB LYS 32 52.122 38.846 58.376 235 2HB LYS 32 1HB LYS 32 50.731 39.955 58.841 236 1HG LYS 32 2HG LYS 32 49.979 39.836 56.354 237 2HG LYS 32 1HG LYS 32 51.269 38.673 56.052 238 1HD LYS 32 2HD LYS 32 50.299 36.982 57.409 239 2HD LYS 32 1HD LYS 32 49.453 38.192 58.432 240 1HE LYS 32 2HE LYS 32 47.735 38.649 56.716 241 2HE LYS 32 1HE LYS 32 48.721 37.687 55.501 242 1HZ LYS 32 1HZ LYS 32 48.384 36.041 57.668 243 2HZ LYS 32 2HZ LYS 32 47.520 35.979 56.233 244 3HZ LYS 32 3HZ LYS 32 46.953 36.816 57.574 245 H ILE 33 H ILE 33 50.392 42.481 58.233 246 HA ILE 33 HA ILE 33 49.377 42.612 55.445 247 HB ILE 33 HB ILE 33 48.684 44.103 58.044 248 1HG1 ILE 33 2HG1 ILE 33 46.716 42.809 58.124 249 2HG1 ILE 33 1HG1 ILE 33 46.543 42.913 56.315 250 1HG2 ILE 33 1HG2 ILE 33 47.900 44.796 55.192 251 2HG2 ILE 33 2HG2 ILE 33 48.170 45.848 56.670 252 3HG2 ILE 33 3HG2 ILE 33 46.631 44.988 56.432 253 1HD1 ILE 33 1HD1 ILE 33 48.739 41.052 57.542 254 2HD1 ILE 33 2HD1 ILE 33 47.909 41.075 55.897 255 3HD1 ILE 33 3HD1 ILE 33 47.046 40.557 57.414 256 H ALA 34 H ALA 34 51.243 44.623 57.606 257 HA ALA 34 HA ALA 34 51.398 47.034 55.875 258 1HB ALA 34 1HB ALA 34 51.601 47.456 58.213 259 2HB ALA 34 2HB ALA 34 53.296 47.479 57.593 260 3HB ALA 34 3HB ALA 34 52.664 46.004 58.428 261 H VAL 35 H VAL 35 52.902 43.940 56.377 262 HA VAL 35 HA VAL 35 55.523 44.401 55.434 263 HB VAL 35 HB VAL 35 54.138 42.096 56.187 264 1HG1 VAL 35 1HG1 VAL 35 54.398 40.495 54.417 265 2HG1 VAL 35 2HG1 VAL 35 55.090 41.684 53.241 266 3HG1 VAL 35 3HG1 VAL 35 53.383 41.873 53.834 267 1HG2 VAL 35 1HG2 VAL 35 56.880 42.960 55.757 268 2HG2 VAL 35 2HG2 VAL 35 56.634 41.420 54.858 269 3HG2 VAL 35 3HG2 VAL 35 56.264 41.443 56.628 270 H ARG 36 H ARG 36 52.599 44.134 53.801 271 HA ARG 36 HA ARG 36 53.899 44.359 51.001 272 1HB ARG 36 2HB ARG 36 52.104 43.046 50.094 273 2HB ARG 36 1HB ARG 36 52.779 42.175 51.575 274 1HG ARG 36 2HG ARG 36 50.592 43.773 52.556 275 2HG ARG 36 1HG ARG 36 50.066 43.067 50.959 276 1HD ARG 36 2HD ARG 36 51.584 41.317 52.952 277 2HD ARG 36 1HD ARG 36 49.905 41.714 53.344 278 HE ARG 36 HE ARG 36 49.328 40.932 50.951 279 1HH1 ARG 36 1HH2 ARG 36 52.320 39.518 52.520 280 2HH1 ARG 36 2HH2 ARG 36 52.253 38.107 51.476 281 1HH2 ARG 36 1HH1 ARG 36 49.296 39.235 49.767 282 2HH2 ARG 36 2HH1 ARG 36 50.501 37.928 49.860 283 H LEU 37 H LEU 37 51.614 45.773 53.293 284 HA LEU 37 HA LEU 37 49.801 46.793 51.420 285 1HB LEU 37 2HB LEU 37 50.400 47.153 54.212 286 2HB LEU 37 1HB LEU 37 50.406 48.835 53.463 287 HG LEU 37 HG LEU 37 48.299 46.670 53.351 288 1HD1 LEU 37 1HD1 LEU 37 48.061 47.594 55.460 289 2HD1 LEU 37 2HD1 LEU 37 46.904 48.562 54.472 290 3HD1 LEU 37 3HD1 LEU 37 48.553 49.242 54.881 291 1HD2 LEU 37 1HD2 LEU 37 47.071 49.032 52.287 292 2HD2 LEU 37 2HD2 LEU 37 47.989 47.829 51.236 293 3HD2 LEU 37 3HD2 LEU 37 48.784 49.350 51.873 294 H THR 38 H THR 38 49.971 47.977 49.840 295 HA THR 38 HA THR 38 52.284 49.837 49.573 296 HB THR 38 HB THR 38 51.172 49.571 47.029 297 HG1 THR 38 1HG THR 38 49.884 48.065 47.230 298 1HG2 THR 38 1HG2 THR 38 52.892 47.484 46.928 299 2HG2 THR 38 2HG2 THR 38 53.312 47.948 48.635 300 3HG2 THR 38 3HG2 THR 38 53.586 49.122 47.302 301 H GLN 39 H GLN 39 50.806 50.970 51.213 302 HA GLN 39 HA GLN 39 48.425 52.119 50.623 303 1HB GLN 39 2HB GLN 39 50.918 52.887 52.293 304 2HB GLN 39 1HB GLN 39 49.545 54.076 52.112 305 1HG GLN 39 2HG GLN 39 48.114 52.799 53.203 306 2HG GLN 39 1HG GLN 39 48.736 51.207 52.453 307 1HE2 GLN 39 2HE2 GLN 39 49.542 53.907 54.540 308 2HE2 GLN 39 1HE2 GLN 39 50.502 53.062 55.776 309 H THR 40 H THR 40 48.109 54.371 50.733 310 HA THR 40 HA THR 40 49.398 56.109 48.697 311 HB THR 40 HB THR 40 46.370 56.060 48.876 312 HG1 THR 40 1HG THR 40 47.323 54.516 46.829 313 1HG2 THR 40 1HG2 THR 40 47.439 57.814 47.463 314 2HG2 THR 40 2HG2 THR 40 46.967 56.505 46.258 315 3HG2 THR 40 3HG2 THR 40 48.689 56.643 46.905 316 H LYS 41 H LYS 41 49.196 58.200 48.970 317 HA LYS 41 HA LYS 41 47.308 59.273 50.971 318 1HB LYS 41 2HB LYS 41 49.201 60.053 52.615 319 2HB LYS 41 1HB LYS 41 48.750 58.261 52.650 320 1HG LYS 41 2HG LYS 41 51.017 58.022 52.661 321 2HG LYS 41 1HG LYS 41 50.774 58.162 50.865 322 1HD LYS 41 2HD LYS 41 52.542 59.673 51.351 323 2HD LYS 41 1HD LYS 41 51.097 60.833 51.432 324 1HE LYS 41 2HE LYS 41 52.655 61.161 53.236 325 2HE LYS 41 1HE LYS 41 51.037 60.470 53.849 326 1HZ LYS 41 1HZ LYS 41 52.326 58.763 54.708 327 2HZ LYS 41 2HZ LYS 41 53.717 59.444 54.002 328 3HZ LYS 41 3HZ LYS 41 52.819 58.385 53.140 329 H ILE 42 H ILE 42 48.032 61.576 51.713 330 HA ILE 42 HA ILE 42 50.032 62.817 49.950 331 HB ILE 42 HB ILE 42 48.738 62.673 47.997 332 1HG1 ILE 42 2HG1 ILE 42 47.130 64.924 49.304 333 2HG1 ILE 42 1HG1 ILE 42 48.732 65.180 48.539 334 1HG2 ILE 42 1HG2 ILE 42 47.052 61.263 48.676 335 2HG2 ILE 42 2HG2 ILE 42 46.082 62.688 48.215 336 3HG2 ILE 42 3HG2 ILE 42 46.435 62.327 49.963 337 1HD1 ILE 42 1HD1 ILE 42 47.344 63.686 46.592 338 2HD1 ILE 42 2HD1 ILE 42 47.650 65.458 46.512 339 3HD1 ILE 42 3HD1 ILE 42 46.094 64.786 47.208 340 H ILE 43 H ILE 43 50.790 64.272 51.049 341 HA ILE 43 HA ILE 43 49.472 65.716 53.238 342 HB ILE 43 HB ILE 43 51.985 66.095 51.622 343 1HG1 ILE 43 2HG1 ILE 43 51.820 64.515 54.277 344 2HG1 ILE 43 1HG1 ILE 43 51.582 63.681 52.675 345 1HG2 ILE 43 1HG2 ILE 43 52.817 66.633 54.112 346 2HG2 ILE 43 2HG2 ILE 43 51.062 66.969 54.434 347 3HG2 ILE 43 3HG2 ILE 43 51.962 67.932 53.152 348 1HD1 ILE 43 1HD1 ILE 43 53.829 63.553 52.550 349 2HD1 ILE 43 2HD1 ILE 43 54.043 64.576 54.061 350 3HD1 ILE 43 3HD1 ILE 43 53.900 65.389 52.463 351 H VAL 44 H VAL 44 49.826 68.171 53.207 352 HA VAL 44 HA VAL 44 50.101 69.433 50.552 353 HB VAL 44 HB VAL 44 47.940 68.567 50.214 354 1HG1 VAL 44 1HG1 VAL 44 46.327 68.294 51.778 355 2HG1 VAL 44 2HG1 VAL 44 46.436 70.089 52.264 356 3HG1 VAL 44 3HG1 VAL 44 47.593 68.869 52.925 357 1HG2 VAL 44 1HG2 VAL 44 47.688 71.611 51.059 358 2HG2 VAL 44 2HG2 VAL 44 46.517 70.685 50.042 359 3HG2 VAL 44 3HG2 VAL 44 48.167 71.076 49.410 360 H GLN 45 H GLN 45 51.395 70.977 51.416 361 HA GLN 45 HA GLN 45 50.820 72.311 53.952 362 1HB GLN 45 2HB GLN 45 52.916 72.339 51.746 363 2HB GLN 45 1HB GLN 45 52.968 73.611 53.054 364 1HG GLN 45 2HG GLN 45 52.649 71.393 54.589 365 2HG GLN 45 1HG GLN 45 53.370 70.584 53.045 366 1HE2 GLN 45 1HE2 GLN 45 53.872 71.892 56.041 367 2HE2 GLN 45 2HE2 GLN 45 55.670 72.389 55.765 368 H ASP 46 H ASP 46 50.938 74.246 54.452 369 HA ASP 46 HA ASP 46 50.286 76.259 52.445 370 1HB ASP 46 2HB ASP 46 48.149 74.900 53.315 371 2HB ASP 46 1HB ASP 46 48.330 75.963 54.834 372 H GLY 47 H GLY 47 52.252 75.719 54.388 373 1HA GLY 47 1HA GLY 47 53.652 77.519 55.440 374 2HA GLY 47 2HA GLY 47 52.111 78.167 56.168 375 H ASP 48 H ASP 48 51.733 77.631 58.234 376 HA ASP 48 HA ASP 48 53.404 75.402 59.277 377 1HB ASP 48 2HB ASP 48 51.342 77.175 60.715 378 2HB ASP 48 1HB ASP 48 52.642 76.111 61.566 379 H ASN 49 H ASN 49 50.397 76.157 58.161 380 HA ASN 49 HA ASN 49 48.814 73.838 59.278 381 1HB ASN 49 2HB ASN 49 47.578 75.270 57.024 382 2HB ASN 49 1HB ASN 49 47.011 75.055 58.792 383 1HD2 ASN 49 2HD2 ASN 49 47.807 77.083 56.314 384 2HD2 ASN 49 1HD2 ASN 49 48.212 78.567 57.391 385 H PHE 50 H PHE 50 48.639 71.996 58.469 386 HA PHE 50 HA PHE 50 48.458 71.464 55.656 387 1HB PHE 50 2HB PHE 50 50.454 70.534 55.039 388 2HB PHE 50 1HB PHE 50 50.951 71.978 56.058 389 HD1 PHE 50 HD1 PHE 50 50.740 71.174 58.824 390 HD2 PHE 50 HD2 PHE 50 51.830 68.857 55.322 391 HE1 PHE 50 HE1 PHE 50 52.039 69.541 60.217 392 HE2 PHE 50 HE2 PHE 50 53.121 67.255 56.755 393 HZ PHE 50 HZ PHE 50 53.183 67.661 59.210 394 H LYS 51 H LYS 51 48.179 69.196 55.026 395 HA LYS 51 HA LYS 51 48.013 67.439 57.350 396 1HB LYS 51 2HB LYS 51 45.624 67.250 57.409 397 2HB LYS 51 1HB LYS 51 45.900 69.018 57.110 398 1HG LYS 51 2HG LYS 51 44.257 68.527 55.339 399 2HG LYS 51 1HG LYS 51 45.766 68.026 54.494 400 1HD LYS 51 2HD LYS 51 44.891 66.044 54.346 401 2HD LYS 51 1HD LYS 51 45.204 65.823 56.124 402 1HE LYS 51 2HE LYS 51 42.694 67.190 55.198 403 2HE LYS 51 1HE LYS 51 42.736 65.342 55.140 404 1HZ LYS 51 1HZ LYS 51 43.412 67.004 57.547 405 2HZ LYS 51 2HZ LYS 51 43.122 65.373 57.553 406 3HZ LYS 51 3HZ LYS 51 41.884 66.497 57.272 407 H THR 52 H THR 52 47.614 65.471 57.117 408 HA THR 52 HA THR 52 47.632 64.334 54.313 409 HB THR 52 HB THR 52 49.996 64.320 54.765 410 HG1 THR 52 1HG THR 52 49.262 62.120 56.289 411 1HG2 THR 52 1HG2 THR 52 49.922 65.434 56.995 412 2HG2 THR 52 2HG2 THR 52 50.779 63.814 57.267 413 3HG2 THR 52 3HG2 THR 52 49.102 64.018 57.757 414 H LYS 53 H LYS 53 47.082 62.213 54.109 415 HA LYS 53 HA LYS 53 45.947 60.894 56.558 416 1HB LYS 53 2HB LYS 53 44.031 60.012 54.974 417 2HB LYS 53 1HB LYS 53 44.070 61.799 55.175 418 1HG LYS 53 2HG LYS 53 45.659 60.582 52.923 419 2HG LYS 53 1HG LYS 53 43.808 60.656 52.794 420 1HD LYS 53 2HD LYS 53 44.664 63.147 53.809 421 2HD LYS 53 1HD LYS 53 45.778 62.769 52.388 422 1HE LYS 53 2HE LYS 53 43.403 61.994 51.262 423 2HE LYS 53 1HE LYS 53 42.756 63.197 52.475 424 1HZ LYS 53 1HZ LYS 53 44.405 64.757 51.579 425 2HZ LYS 53 2HZ LYS 53 43.383 64.318 50.341 426 3HZ LYS 53 3HZ LYS 53 44.897 63.660 50.418 427 H THR 54 H THR 54 45.241 58.631 55.564 428 HA THR 54 HA THR 54 47.380 57.475 53.927 429 HB THR 54 HB THR 54 47.317 55.525 55.923 430 HG1 THR 54 1HG THR 54 47.967 57.068 57.721 431 1HG2 THR 54 1HG2 THR 54 49.288 57.880 56.084 432 2HG2 THR 54 2HG2 THR 54 49.206 56.879 54.526 433 3HG2 THR 54 3HG2 THR 54 49.701 56.131 56.070 434 H ASN 55 H ASN 55 46.687 56.028 52.649 435 HA ASN 55 HA ASN 55 43.880 55.042 53.027 436 1HB ASN 55 2HB ASN 55 45.352 56.110 50.723 437 2HB ASN 55 1HB ASN 55 44.314 54.576 50.366 438 1HD2 ASN 55 1HD2 ASN 55 44.165 57.339 52.522 439 2HD2 ASN 55 2HD2 ASN 55 42.425 57.896 51.973 440 H SER 56 H SER 56 44.539 53.500 54.321 441 HA SER 56 HA SER 56 45.844 50.963 53.223 442 1HB SER 56 2HB SER 56 45.434 50.606 55.968 443 2HB SER 56 1HB SER 56 46.934 51.482 55.249 444 HG SER 56 HG SER 56 46.111 53.317 55.714 445 H THR 57 H THR 57 44.879 49.234 53.159 446 HA THR 57 HA THR 57 41.966 49.299 53.068 447 HB THR 57 HB THR 57 42.110 46.917 52.382 448 HG1 THR 57 1HG THR 57 43.458 45.878 53.491 449 1HG2 THR 57 1HG2 THR 57 44.780 47.737 51.230 450 2HG2 THR 57 2HG2 THR 57 43.422 48.909 50.896 451 3HG2 THR 57 3HG2 THR 57 43.255 47.239 50.361 452 H PHE 58 H PHE 58 44.444 48.212 55.145 453 HA PHE 58 HA PHE 58 42.786 46.704 57.001 454 1HB PHE 58 2HB PHE 58 45.500 46.652 56.696 455 2HB PHE 58 1HB PHE 58 45.334 47.870 58.040 456 HD1 PHE 58 HD1 PHE 58 43.743 44.564 57.186 457 HD2 PHE 58 HD2 PHE 58 45.602 47.094 60.071 458 HE1 PHE 58 HE1 PHE 58 43.503 42.692 58.954 459 HE2 PHE 58 HE2 PHE 58 45.365 45.279 61.780 460 HZ PHE 58 HZ PHE 58 44.341 43.136 61.199 461 H ARG 59 H ARG 59 44.511 49.794 57.420 462 HA ARG 59 HA ARG 59 42.200 50.760 59.141 463 1HB ARG 59 2HB ARG 59 44.562 49.568 60.326 464 2HB ARG 59 1HB ARG 59 44.563 51.377 60.650 465 1HG ARG 59 2HG ARG 59 42.277 49.359 61.196 466 2HG ARG 59 1HG ARG 59 43.386 50.201 62.421 467 1HD ARG 59 2HD ARG 59 41.925 51.945 62.532 468 2HD ARG 59 1HD ARG 59 42.474 52.260 60.859 469 HE ARG 59 HE ARG 59 40.523 51.388 59.983 470 1HH1 ARG 59 1HH2 ARG 59 40.954 50.437 63.460 471 2HH1 ARG 59 2HH2 ARG 59 39.415 49.670 63.572 472 1HH2 ARG 59 1HH1 ARG 59 38.279 50.263 60.307 473 2HH2 ARG 59 2HH1 ARG 59 37.958 49.601 61.860 474 H ASN 60 H ASN 60 41.685 52.602 58.756 475 HA ASN 60 HA ASN 60 43.567 54.420 57.369 476 1HB ASN 60 2HB ASN 60 40.800 54.933 58.675 477 2HB ASN 60 1HB ASN 60 41.614 56.048 57.407 478 1HD2 ASN 60 2HD2 ASN 60 40.509 56.034 55.773 479 2HD2 ASN 60 1HD2 ASN 60 39.936 54.653 54.889 480 H TYR 61 H TYR 61 43.991 56.490 58.002 481 HA TYR 61 HA TYR 61 43.901 57.213 60.840 482 1HB TYR 61 2HB TYR 61 45.722 55.456 60.782 483 2HB TYR 61 1HB TYR 61 46.541 56.448 59.472 484 HD1 TYR 61 HD1 TYR 61 45.005 57.295 62.770 485 HD2 TYR 61 HD2 TYR 61 48.454 57.543 60.235 486 HE1 TYR 61 HE1 TYR 61 46.112 58.674 64.514 487 HE2 TYR 61 HE2 TYR 61 49.596 58.896 61.901 488 HH TYR 61 HH TYR 61 48.760 59.012 64.976 489 H ASP 62 H ASP 62 44.590 59.464 61.145 490 HA ASP 62 HA ASP 62 45.622 60.845 58.689 491 1HB ASP 62 2HB ASP 62 43.936 62.641 60.202 492 2HB ASP 62 1HB ASP 62 43.515 61.715 58.576 493 H LEU 63 H LEU 63 46.890 62.703 59.054 494 HA LEU 63 HA LEU 63 47.803 62.890 61.915 495 1HB LEU 63 2HB LEU 63 49.309 61.710 59.878 496 2HB LEU 63 1HB LEU 63 49.780 63.443 59.613 497 HG LEU 63 HG LEU 63 51.293 61.921 61.180 498 1HD1 LEU 63 1HD1 LEU 63 50.165 64.492 62.450 499 2HD1 LEU 63 2HD1 LEU 63 51.234 64.447 60.965 500 3HD1 LEU 63 3HD1 LEU 63 51.788 63.782 62.583 501 1HD2 LEU 63 1HD2 LEU 63 50.547 61.248 63.284 502 2HD2 LEU 63 2HD2 LEU 63 49.032 61.052 62.378 503 3HD2 LEU 63 3HD2 LEU 63 49.284 62.592 63.332 504 H ASP 64 H ASP 64 45.865 64.520 61.174 505 HA ASP 64 HA ASP 64 46.707 67.017 59.965 506 1HB ASP 64 2HB ASP 64 44.725 66.100 62.100 507 2HB ASP 64 1HB ASP 64 44.796 67.865 61.458 508 H PHE 65 H PHE 65 48.081 68.576 60.709 509 HA PHE 65 HA PHE 65 48.368 69.150 63.534 510 1HB PHE 65 2HB PHE 65 49.642 67.061 63.637 511 2HB PHE 65 1HB PHE 65 50.488 67.459 62.064 512 HD1 PHE 65 HD1 PHE 65 52.750 67.771 62.528 513 HD2 PHE 65 HD2 PHE 65 49.720 69.273 65.195 514 HE1 PHE 65 HE1 PHE 65 54.479 68.778 63.852 515 HE2 PHE 65 HE2 PHE 65 51.457 70.317 66.588 516 HZ PHE 65 HZ PHE 65 53.855 70.090 65.953 517 H THR 66 H THR 66 49.706 70.992 63.788 518 HA THR 66 HA THR 66 50.178 72.456 61.265 519 HB THR 66 HB THR 66 51.068 73.857 63.603 520 HG1 THR 66 1HG THR 66 49.123 73.617 64.777 521 1HG2 THR 66 1HG2 THR 66 49.889 75.246 61.831 522 2HG2 THR 66 2HG2 THR 66 48.617 74.992 63.117 523 3HG2 THR 66 3HG2 THR 66 48.639 73.931 61.663 524 H VAL 67 H VAL 67 52.361 74.091 61.647 525 HA VAL 67 HA VAL 67 54.517 72.023 61.988 526 HB VAL 67 HB VAL 67 54.485 74.858 60.861 527 1HG1 VAL 67 1HG1 VAL 67 56.700 74.254 61.837 528 2HG1 VAL 67 2HG1 VAL 67 56.830 74.332 60.053 529 3HG1 VAL 67 3HG1 VAL 67 56.705 72.696 60.898 530 1HG2 VAL 67 1HG2 VAL 67 55.149 72.304 59.260 531 2HG2 VAL 67 2HG2 VAL 67 54.467 73.868 58.648 532 3HG2 VAL 67 3HG2 VAL 67 53.449 72.717 59.670 533 H GLY 68 H GLY 68 55.647 71.824 63.574 534 1HA GLY 68 1HA GLY 68 56.606 72.250 65.617 535 2HA GLY 68 2HA GLY 68 57.035 73.916 64.870 536 H VAL 69 H VAL 69 53.741 72.932 65.318 537 HA VAL 69 HA VAL 69 53.494 74.511 67.873 538 HB VAL 69 HB VAL 69 51.706 74.463 65.340 539 1HG1 VAL 69 1HG1 VAL 69 50.680 76.443 67.135 540 2HG1 VAL 69 2HG1 VAL 69 50.787 74.868 68.025 541 3HG1 VAL 69 3HG1 VAL 69 49.985 74.904 66.427 542 1HG2 VAL 69 1HG2 VAL 69 52.485 77.071 66.539 543 2HG2 VAL 69 2HG2 VAL 69 52.464 76.533 64.815 544 3HG2 VAL 69 3HG2 VAL 69 53.915 76.124 65.887 545 H GLU 70 H GLU 70 54.055 72.524 68.451 546 HA GLU 70 HA GLU 70 52.912 70.115 68.021 547 1HB GLU 70 2HB GLU 70 53.599 69.357 70.037 548 2HB GLU 70 1HB GLU 70 54.616 70.884 69.927 549 1HG GLU 70 2HG GLU 70 53.932 71.105 72.073 550 2HG GLU 70 1HG GLU 70 52.626 72.060 71.159 551 H PHE 71 H PHE 71 51.396 68.927 68.381 552 HA PHE 71 HA PHE 71 48.957 69.934 69.818 553 1HB PHE 71 2HB PHE 71 48.890 70.793 67.391 554 2HB PHE 71 1HB PHE 71 48.863 69.035 66.879 555 HD1 PHE 71 HD1 PHE 71 46.985 67.781 66.924 556 HD2 PHE 71 HD2 PHE 71 46.852 71.647 68.638 557 HE1 PHE 71 HE1 PHE 71 44.587 67.572 66.997 558 HE2 PHE 71 HE2 PHE 71 44.369 71.503 68.770 559 HZ PHE 71 HZ PHE 71 43.206 69.455 67.947 560 H ASP 72 H ASP 72 48.307 68.358 70.959 561 HA ASP 72 HA ASP 72 48.827 65.652 71.062 562 1HB ASP 72 2HB ASP 72 46.222 65.533 71.770 563 2HB ASP 72 1HB ASP 72 47.511 66.351 72.845 564 H GLU 73 H GLU 73 47.769 63.731 70.355 565 HA GLU 73 HA GLU 73 45.721 63.992 68.150 566 1HB GLU 73 2HB GLU 73 48.441 64.029 67.576 567 2HB GLU 73 1HB GLU 73 48.154 62.287 67.532 568 1HG GLU 73 2HG GLU 73 47.442 62.792 65.337 569 2HG GLU 73 1HG GLU 73 45.895 63.461 66.157 570 H HIS 74 H HIS 74 45.238 61.748 67.253 571 HA HIS 74 HA HIS 74 45.628 59.629 69.320 572 1HB HIS 74 2HB HIS 74 43.188 61.247 69.028 573 2HB HIS 74 1HB HIS 74 42.892 59.474 68.670 574 HD1 HIS 74 HD1 HIS 74 43.958 61.715 71.529 575 HD2 HIS 74 HD2 HIS 74 43.312 57.698 70.674 576 HE1 HIS 74 HE1 HIS 74 44.014 60.488 73.807 577 HE2 HIS 74 HE2 HIS 74 43.606 58.016 73.253 578 H THR 75 H THR 75 45.607 57.741 68.659 579 HA THR 75 HA THR 75 45.040 57.066 65.802 580 HB THR 75 HB THR 75 46.784 55.407 66.018 581 HG1 THR 75 1HG THR 75 47.336 55.721 68.659 582 1HG2 THR 75 1HG2 THR 75 47.693 57.879 66.247 583 2HG2 THR 75 2HG2 THR 75 48.724 56.722 67.240 584 3HG2 THR 75 3HG2 THR 75 47.543 57.798 68.030 585 H LYS 76 H LYS 76 43.258 57.269 67.979 586 HA LYS 76 HA LYS 76 42.551 55.049 69.475 587 1HB LYS 76 2HB LYS 76 41.148 57.410 68.363 588 2HB LYS 76 1HB LYS 76 40.110 55.949 68.273 589 1HG LYS 76 2HG LYS 76 41.093 55.462 70.711 590 2HG LYS 76 1HG LYS 76 41.281 57.304 70.671 591 1HD LYS 76 2HD LYS 76 39.190 57.043 71.577 592 2HD LYS 76 1HD LYS 76 38.891 57.360 69.790 593 1HE LYS 76 2HE LYS 76 38.463 54.950 69.391 594 2HE LYS 76 1HE LYS 76 38.986 54.553 71.088 595 1HZ LYS 76 1HZ LYS 76 36.532 54.603 70.553 596 2HZ LYS 76 2HZ LYS 76 36.571 56.251 70.531 597 3HZ LYS 76 3HZ LYS 76 36.960 55.389 71.922 598 H GLY 77 H GLY 77 41.518 55.581 66.160 599 1HA GLY 77 1HA GLY 77 39.977 53.291 65.800 600 2HA GLY 77 2HA GLY 77 40.942 54.104 64.458 601 H LEU 78 H LEU 78 43.431 53.782 65.471 602 HA LEU 78 HA LEU 78 44.028 51.154 64.383 603 1HB LEU 78 2HB LEU 78 45.559 53.564 65.379 604 2HB LEU 78 1HB LEU 78 46.425 51.950 65.410 605 HG LEU 78 HG LEU 78 45.037 52.131 62.956 606 1HD1 LEU 78 1HD1 LEU 78 46.008 54.815 63.902 607 2HD1 LEU 78 2HD1 LEU 78 44.774 54.415 62.617 608 3HD1 LEU 78 3HD1 LEU 78 46.522 54.323 62.206 609 1HD2 LEU 78 1HD2 LEU 78 47.460 51.381 63.856 610 2HD2 LEU 78 2HD2 LEU 78 48.045 52.998 63.245 611 3HD2 LEU 78 3HD2 LEU 78 47.344 51.817 62.113 612 H ASP 79 H ASP 79 45.915 52.090 67.299 613 HA ASP 79 HA ASP 79 45.067 49.453 68.378 614 1HB ASP 79 2HB ASP 79 47.328 49.539 67.796 615 2HB ASP 79 1HB ASP 79 47.664 51.055 68.843 616 H GLY 80 H GLY 80 45.216 52.912 68.951 617 1HA GLY 80 1HA GLY 80 43.936 54.058 70.444 618 2HA GLY 80 2HA GLY 80 43.656 52.526 71.426 619 H ARG 81 H ARG 81 45.954 54.763 70.204 620 HA ARG 81 HA ARG 81 47.329 54.962 72.912 621 1HB ARG 81 2HB ARG 81 48.536 55.654 70.128 622 2HB ARG 81 1HB ARG 81 49.399 55.551 71.736 623 1HG ARG 81 2HG ARG 81 49.854 53.364 71.139 624 2HG ARG 81 1HG ARG 81 48.145 53.093 71.587 625 1HD ARG 81 2HD ARG 81 49.100 52.217 69.304 626 2HD ARG 81 1HD ARG 81 47.507 53.113 69.125 627 HE ARG 81 HE ARG 81 49.659 54.929 68.778 628 1HH1 ARG 81 1HH1 ARG 81 48.135 52.066 67.183 629 2HH1 ARG 81 2HH1 ARG 81 48.553 52.538 65.571 630 1HH2 ARG 81 1HH2 ARG 81 50.240 55.580 66.656 631 2HH2 ARG 81 2HH2 ARG 81 49.805 54.598 65.291 632 H ASN 82 H ASN 82 48.539 56.945 73.296 633 HA ASN 82 HA ASN 82 47.026 59.339 72.371 634 1HB ASN 82 2HB ASN 82 46.364 59.739 74.604 635 2HB ASN 82 1HB ASN 82 47.392 58.312 75.169 636 1HD2 ASN 82 1HD2 ASN 82 49.342 58.447 75.725 637 2HD2 ASN 82 2HD2 ASN 82 50.156 59.937 76.151 638 H VAL 83 H VAL 83 48.152 60.883 71.567 639 HA VAL 83 HA VAL 83 51.011 61.045 72.395 640 HB VAL 83 HB VAL 83 51.947 60.962 70.236 641 1HG1 VAL 83 1HG1 VAL 83 49.874 58.693 70.277 642 2HG1 VAL 83 2HG1 VAL 83 51.367 58.652 71.237 643 3HG1 VAL 83 3HG1 VAL 83 51.479 58.659 69.413 644 1HG2 VAL 83 1HG2 VAL 83 49.076 61.384 69.485 645 2HG2 VAL 83 2HG2 VAL 83 49.910 60.178 68.398 646 3HG2 VAL 83 3HG2 VAL 83 50.546 61.913 68.580 647 H LYS 84 H LYS 84 52.259 62.574 71.455 648 HA LYS 84 HA LYS 84 50.795 65.121 70.749 649 1HB LYS 84 2HB LYS 84 53.421 65.452 72.164 650 2HB LYS 84 1HB LYS 84 51.896 66.407 72.323 651 1HG LYS 84 2HG LYS 84 52.198 63.556 73.467 652 2HG LYS 84 1HG LYS 84 52.587 65.104 74.395 653 1HD LYS 84 2HD LYS 84 50.378 65.879 74.419 654 2HD LYS 84 1HD LYS 84 49.912 65.008 72.900 655 1HE LYS 84 2HE LYS 84 49.982 62.790 74.082 656 2HE LYS 84 1HE LYS 84 50.632 63.574 75.567 657 1HZ LYS 84 1HZ LYS 84 48.127 63.366 75.664 658 2HZ LYS 84 2HZ LYS 84 48.034 64.289 74.299 659 3HZ LYS 84 3HZ LYS 84 48.645 64.921 75.750 660 H THR 85 H THR 85 51.213 65.531 68.812 661 HA THR 85 HA THR 85 53.774 64.710 67.549 662 HB THR 85 HB THR 85 51.000 65.032 66.847 663 HG1 THR 85 1HG THR 85 53.161 64.070 65.419 664 1HG2 THR 85 1HG2 THR 85 53.235 66.318 65.114 665 2HG2 THR 85 2HG2 THR 85 51.920 67.289 65.844 666 3HG2 THR 85 3HG2 THR 85 51.514 66.147 64.502 667 H LEU 86 H LEU 86 55.313 65.739 66.935 668 HA LEU 86 HA LEU 86 55.086 68.691 66.841 669 1HB LEU 86 2HB LEU 86 56.259 67.894 69.020 670 2HB LEU 86 1HB LEU 86 57.634 67.289 67.937 671 HG LEU 86 HG LEU 86 56.773 70.170 67.596 672 1HD1 LEU 86 1HD1 LEU 86 57.151 69.152 70.213 673 2HD1 LEU 86 2HD1 LEU 86 57.664 70.822 69.734 674 3HD1 LEU 86 3HD1 LEU 86 58.875 69.527 69.659 675 1HD2 LEU 86 1HD2 LEU 86 58.732 69.005 66.314 676 2HD2 LEU 86 2HD2 LEU 86 59.486 68.786 67.965 677 3HD2 LEU 86 3HD2 LEU 86 59.236 70.448 67.303 678 H VAL 87 H VAL 87 56.192 69.660 65.343 679 HA VAL 87 HA VAL 87 57.916 68.013 63.564 680 HB VAL 87 HB VAL 87 55.607 69.991 62.853 681 1HG1 VAL 87 1HG1 VAL 87 57.361 71.041 61.692 682 2HG1 VAL 87 2HG1 VAL 87 56.364 70.081 60.542 683 3HG1 VAL 87 3HG1 VAL 87 58.018 69.471 61.087 684 1HG2 VAL 87 1HG2 VAL 87 56.033 67.118 62.525 685 2HG2 VAL 87 2HG2 VAL 87 56.200 67.877 60.869 686 3HG2 VAL 87 3HG2 VAL 87 54.685 68.064 61.902 687 H THR 88 H THR 88 59.494 69.087 62.372 688 HA THR 88 HA THR 88 60.139 71.871 62.923 689 HB THR 88 HB THR 88 62.025 69.592 63.637 690 HG1 THR 88 1HG THR 88 61.339 70.056 65.878 691 1HG2 THR 88 1HG2 THR 88 61.780 72.433 64.858 692 2HG2 THR 88 2HG2 THR 88 62.809 72.205 63.449 693 3HG2 THR 88 3HG2 THR 88 63.261 71.334 64.964 694 H TRP 89 H TRP 89 60.980 72.493 61.104 695 HA TRP 89 HA TRP 89 61.493 70.831 58.701 696 1HB TRP 89 2HB TRP 89 62.379 73.721 59.525 697 2HB TRP 89 1HB TRP 89 62.797 73.039 57.944 698 HD1 TRP 89 HD1 TRP 89 59.703 74.110 60.044 699 HE1 TRP 89 HE1 TRP 89 57.796 74.233 58.335 700 HE3 TRP 89 HE3 TRP 89 62.086 72.179 56.089 701 HZ2 TRP 89 HZ2 TRP 89 57.379 73.527 55.514 702 HZ3 TRP 89 HZ3 TRP 89 61.046 71.877 53.961 703 HH2 TRP 89 HH2 TRP 89 58.765 72.522 53.669 704 H GLU 90 H GLU 90 63.535 70.735 57.578 705 HA GLU 90 HA GLU 90 65.938 70.816 59.250 706 1HB GLU 90 2HB GLU 90 64.215 68.515 59.344 707 2HB GLU 90 1HB GLU 90 65.850 68.098 58.629 708 1HG GLU 90 2HG GLU 90 66.727 69.512 60.804 709 2HG GLU 90 1HG GLU 90 65.068 68.961 61.445 710 H GLY 91 H GLY 91 65.141 71.935 57.045 711 1HA GLY 91 1HA GLY 91 66.032 72.597 55.006 712 2HA GLY 91 2HA GLY 91 67.309 71.289 55.189 713 H ASN 92 H ASN 92 64.187 72.147 54.249 714 HA ASN 92 HA ASN 92 62.511 71.222 52.916 715 1HB ASN 92 2HB ASN 92 64.457 69.316 51.511 716 2HB ASN 92 1HB ASN 92 63.285 70.620 50.815 717 1HD2 ASN 92 1HD2 ASN 92 63.806 72.809 51.545 718 2HD2 ASN 92 2HD2 ASN 92 65.491 73.328 51.393 719 H THR 93 H THR 93 62.337 70.324 55.148 720 HA THR 93 HA THR 93 61.316 67.571 54.966 721 HB THR 93 HB THR 93 63.246 68.024 57.271 722 HG1 THR 93 1HG THR 93 64.059 67.330 54.708 723 1HG2 THR 93 1HG2 THR 93 63.494 65.517 55.757 724 2HG2 THR 93 2HG2 THR 93 61.715 65.873 55.893 725 3HG2 THR 93 3HG2 THR 93 62.685 65.630 57.375 726 H LEU 94 H LEU 94 61.201 67.274 57.779 727 HA LEU 94 HA LEU 94 60.104 69.363 59.207 728 1HB LEU 94 2HB LEU 94 57.569 68.933 59.008 729 2HB LEU 94 1HB LEU 94 58.328 69.645 57.503 730 HG LEU 94 HG LEU 94 58.760 67.136 56.864 731 1HD1 LEU 94 1HD1 LEU 94 56.661 66.979 59.040 732 2HD1 LEU 94 2HD1 LEU 94 57.750 65.676 58.402 733 3HD1 LEU 94 3HD1 LEU 94 56.197 66.093 57.532 734 1HD2 LEU 94 1HD2 LEU 94 56.155 68.664 56.699 735 2HD2 LEU 94 2HD2 LEU 94 56.480 67.204 55.644 736 3HD2 LEU 94 3HD2 LEU 94 57.463 68.728 55.490 737 H VAL 95 H VAL 95 61.580 67.096 59.609 738 HA VAL 95 HA VAL 95 61.018 64.872 60.599 739 HB VAL 95 HB VAL 95 62.007 67.098 62.506 740 1HG1 VAL 95 1HG1 VAL 95 63.376 64.396 62.630 741 2HG1 VAL 95 2HG1 VAL 95 61.674 64.492 63.268 742 3HG1 VAL 95 3HG1 VAL 95 63.014 65.632 63.827 743 1HG2 VAL 95 1HG2 VAL 95 63.326 67.196 60.447 744 2HG2 VAL 95 2HG2 VAL 95 63.422 65.387 60.301 745 3HG2 VAL 95 3HG2 VAL 95 64.336 66.202 61.648 746 H CYS 96 H CYS 96 58.757 64.831 60.737 747 HA CYS 96 HA CYS 96 57.444 65.813 63.150 748 1HB CYS 96 2HB CYS 96 56.174 65.426 61.011 749 2HB CYS 96 1HB CYS 96 56.456 63.676 61.136 750 HG CYS 96 HG CYS 96 53.977 64.735 61.915 751 H VAL 97 H VAL 97 56.939 64.621 64.865 752 HA VAL 97 HA VAL 97 57.815 61.844 65.307 753 HB VAL 97 HB VAL 97 58.634 63.738 67.446 754 1HG1 VAL 97 1HG1 VAL 97 60.934 62.405 66.915 755 2HG1 VAL 97 2HG1 VAL 97 59.834 61.285 66.015 756 3HG1 VAL 97 3HG1 VAL 97 59.554 61.574 67.765 757 1HG2 VAL 97 1HG2 VAL 97 59.077 65.196 65.631 758 2HG2 VAL 97 2HG2 VAL 97 59.993 63.897 64.699 759 3HG2 VAL 97 3HG2 VAL 97 60.636 64.569 66.299 760 H GLN 98 H GLN 98 57.031 60.897 67.136 761 HA GLN 98 HA GLN 98 54.748 62.285 68.566 762 1HB GLN 98 2HB GLN 98 55.214 59.579 67.301 763 2HB GLN 98 1HB GLN 98 54.213 59.596 68.875 764 1HG GLN 98 2HG GLN 98 52.700 61.251 67.770 765 2HG GLN 98 1HG GLN 98 53.701 61.222 66.249 766 1HE2 GLN 98 2HE2 GLN 98 50.933 60.711 66.760 767 2HE2 GLN 98 1HE2 GLN 98 50.615 59.042 66.209 768 H LYS 99 H LYS 99 54.266 61.929 70.598 769 HA LYS 99 HA LYS 99 56.102 60.159 72.201 770 1HB LYS 99 2HB LYS 99 55.968 62.320 73.849 771 2HB LYS 99 1HB LYS 99 57.414 61.819 72.872 772 1HG LYS 99 2HG LYS 99 55.187 63.806 71.959 773 2HG LYS 99 1HG LYS 99 56.672 64.383 72.741 774 1HD LYS 99 2HD LYS 99 57.530 62.559 70.710 775 2HD LYS 99 1HD LYS 99 56.161 63.466 69.946 776 1HE LYS 99 2HE LYS 99 58.667 64.627 71.379 777 2HE LYS 99 1HE LYS 99 58.421 64.596 69.587 778 1HZ LYS 99 1HZ LYS 99 57.870 66.749 70.745 779 2HZ LYS 99 2HZ LYS 99 56.595 65.994 71.552 780 3HZ LYS 99 3HZ LYS 99 56.597 66.081 69.881 781 H GLY 100 H GLY 100 55.340 59.911 74.253 782 1HA GLY 100 1HA GLY 100 53.641 60.266 76.030 783 2HA GLY 100 2HA GLY 100 52.434 60.736 74.755 784 H GLU 101 H GLU 101 54.550 58.219 73.854 785 HA GLU 101 HA GLU 101 53.419 55.903 75.090 786 1HB GLU 101 2HB GLU 101 51.352 56.511 73.650 787 2HB GLU 101 1HB GLU 101 52.448 56.735 72.241 788 1HG GLU 101 2HG GLU 101 51.254 54.548 72.139 789 2HG GLU 101 1HG GLU 101 53.044 54.235 72.452 790 H LYS 102 H LYS 102 54.694 57.277 72.104 791 HA LYS 102 HA LYS 102 56.592 54.907 71.929 792 1HB LYS 102 2HB LYS 102 57.086 56.258 69.670 793 2HB LYS 102 1HB LYS 102 55.796 54.951 69.799 794 1HG LYS 102 2HG LYS 102 55.174 57.931 70.331 795 2HG LYS 102 1HG LYS 102 55.140 57.218 68.685 796 1HD LYS 102 2HD LYS 102 53.583 55.794 70.911 797 2HD LYS 102 1HD LYS 102 52.928 57.194 69.993 798 1HE LYS 102 2HE LYS 102 54.181 54.862 68.457 799 2HE LYS 102 1HE LYS 102 52.556 54.673 69.265 800 1HZ LYS 102 1HZ LYS 102 53.452 56.606 67.111 801 2HZ LYS 102 2HZ LYS 102 52.044 56.832 67.997 802 3HZ LYS 102 3HZ LYS 102 52.193 55.511 67.029 803 H GLU 103 H GLU 103 56.481 58.382 71.627 804 HA GLU 103 HA GLU 103 57.986 60.118 72.023 805 1HB GLU 103 2HB GLU 103 59.815 58.159 73.514 806 2HB GLU 103 1HB GLU 103 59.444 59.917 73.838 807 1HG GLU 103 2HG GLU 103 57.186 59.474 74.384 808 2HG GLU 103 1HG GLU 103 57.466 57.631 74.197 809 H ASN 104 H ASN 104 58.490 57.919 69.921 810 HA ASN 104 HA ASN 104 60.797 59.289 68.902 811 1HB ASN 104 2HB ASN 104 61.743 57.606 70.583 812 2HB ASN 104 1HB ASN 104 61.162 56.202 69.504 813 1HD2 ASN 104 2HD2 ASN 104 63.073 55.478 69.051 814 2HD2 ASN 104 1HD2 ASN 104 64.348 56.464 68.083 815 H ARG 105 H ARG 105 58.323 59.093 67.786 816 HA ARG 105 HA ARG 105 58.726 57.095 65.571 817 1HB ARG 105 2HB ARG 105 56.755 56.291 67.052 818 2HB ARG 105 1HB ARG 105 55.951 57.821 66.629 819 1HG ARG 105 2HG ARG 105 56.394 57.340 64.156 820 2HG ARG 105 1HG ARG 105 57.096 55.749 64.689 821 1HD ARG 105 2HD ARG 105 54.767 55.380 65.939 822 2HD ARG 105 1HD ARG 105 54.165 56.656 64.810 823 HE ARG 105 HE ARG 105 55.716 54.273 63.863 824 1HH1 ARG 105 2HH2 ARG 105 52.618 56.091 63.828 825 2HH1 ARG 105 1HH2 ARG 105 51.865 55.171 62.525 826 1HH2 ARG 105 2HH1 ARG 105 54.717 53.038 62.109 827 2HH2 ARG 105 1HH1 ARG 105 53.075 53.503 61.617 828 H GLY 106 H GLY 106 59.618 58.315 64.309 829 1HA GLY 106 1HA GLY 106 57.872 60.536 63.169 830 2HA GLY 106 2HA GLY 106 59.627 60.796 63.563 831 H TRP 107 H TRP 107 58.473 61.327 61.233 832 HA TRP 107 HA TRP 107 59.979 59.527 59.450 833 1HB TRP 107 2HB TRP 107 57.905 60.694 57.859 834 2HB TRP 107 1HB TRP 107 58.194 58.947 58.319 835 HD1 TRP 107 HD1 TRP 107 57.014 58.337 60.905 836 HE1 TRP 107 HE1 TRP 107 54.969 59.213 62.118 837 HE3 TRP 107 HE3 TRP 107 56.581 62.394 58.181 838 HZ2 TRP 107 HZ2 TRP 107 53.436 61.458 61.791 839 HZ3 TRP 107 HZ3 TRP 107 54.772 63.989 58.588 840 HH2 TRP 107 HH2 TRP 107 53.182 63.442 60.473 841 H LYS 108 H LYS 108 61.205 60.106 58.053 842 HA LYS 108 HA LYS 108 61.835 63.039 57.729 843 1HB LYS 108 2HB LYS 108 63.479 60.552 56.882 844 2HB LYS 108 1HB LYS 108 64.096 62.275 57.100 845 1HG LYS 108 2HG LYS 108 62.879 61.840 59.525 846 2HG LYS 108 1HG LYS 108 63.503 60.175 59.098 847 1HD LYS 108 2HD LYS 108 65.840 60.886 59.223 848 2HD LYS 108 1HD LYS 108 65.423 62.529 58.634 849 1HE LYS 108 2HE LYS 108 64.031 62.647 60.883 850 2HE LYS 108 1HE LYS 108 65.252 61.383 61.456 851 1HZ LYS 108 1HZ LYS 108 65.923 64.000 60.325 852 2HZ LYS 108 2HZ LYS 108 66.995 62.863 60.909 853 3HZ LYS 108 3HZ LYS 108 65.951 63.710 61.955 854 H GLN 109 H GLN 109 59.910 62.859 56.459 855 HA GLN 109 HA GLN 109 60.144 61.829 53.702 856 1HB GLN 109 2HB GLN 109 58.565 64.167 54.857 857 2HB GLN 109 1HB GLN 109 58.133 63.272 53.272 858 1HG GLN 109 2HG GLN 109 58.343 61.700 55.898 859 2HG GLN 109 1HG GLN 109 56.997 62.966 55.745 860 1HE2 GLN 109 2HE2 GLN 109 58.422 61.168 53.048 861 2HE2 GLN 109 1HE2 GLN 109 56.791 60.332 52.693 862 H TRP 110 H TRP 110 62.561 62.928 53.267 863 HA TRP 110 HA TRP 110 62.273 65.903 53.151 864 1HB TRP 110 2HB TRP 110 64.453 65.996 53.250 865 2HB TRP 110 1HB TRP 110 64.236 64.348 54.039 866 HD1 TRP 110 HD1 TRP 110 65.129 65.878 50.614 867 HE1 TRP 110 HE1 TRP 110 66.542 64.052 49.376 868 HE3 TRP 110 HE3 TRP 110 64.638 62.345 54.060 869 HZ2 TRP 110 HZ2 TRP 110 67.214 61.372 50.086 870 HZ3 TRP 110 HZ3 TRP 110 65.607 60.161 53.883 871 HH2 TRP 110 HH2 TRP 110 66.904 59.646 51.903 872 H VAL 111 H VAL 111 61.370 63.515 50.996 873 HA VAL 111 HA VAL 111 60.729 63.644 48.747 874 HB VAL 111 HB VAL 111 61.158 66.692 49.151 875 1HG1 VAL 111 1HG1 VAL 111 60.123 65.530 46.955 876 2HG1 VAL 111 2HG1 VAL 111 59.540 67.120 47.606 877 3HG1 VAL 111 3HG1 VAL 111 58.621 65.593 47.946 878 1HG2 VAL 111 1HG2 VAL 111 60.071 66.064 51.250 879 2HG2 VAL 111 2HG2 VAL 111 59.255 64.695 50.452 880 3HG2 VAL 111 3HG2 VAL 111 58.687 66.401 50.106 881 H GLU 112 H GLU 112 61.953 62.981 47.234 882 HA GLU 112 HA GLU 112 64.257 64.664 46.323 883 1HB GLU 112 2HB GLU 112 63.871 61.714 46.548 884 2HB GLU 112 1HB GLU 112 64.792 62.264 45.128 885 1HG GLU 112 2HG GLU 112 66.148 63.780 46.824 886 2HG GLU 112 1HG GLU 112 65.350 62.651 48.089 887 H GLY 113 H GLY 113 61.428 63.001 45.408 888 1HA GLY 113 1HA GLY 113 59.978 63.804 43.620 889 2HA GLY 113 2HA GLY 113 61.393 64.150 42.575 890 H ASP 114 H ASP 114 58.922 62.283 42.658 891 HA ASP 114 HA ASP 114 58.312 60.130 42.135 892 1HB ASP 114 2HB ASP 114 60.344 60.848 39.899 893 2HB ASP 114 1HB ASP 114 58.980 59.551 39.818 894 H LYS 115 H LYS 115 60.376 60.154 44.019 895 HA LYS 115 HA LYS 115 60.988 57.584 44.598 896 1HB LYS 115 2HB LYS 115 62.771 58.548 42.305 897 2HB LYS 115 1HB LYS 115 63.601 57.749 43.728 898 1HG LYS 115 2HG LYS 115 61.174 56.373 42.446 899 2HG LYS 115 1HG LYS 115 62.866 56.233 41.800 900 1HD LYS 115 2HD LYS 115 63.670 55.228 43.789 901 2HD LYS 115 1HD LYS 115 62.490 56.062 44.853 902 1HE LYS 115 2HE LYS 115 61.374 54.038 44.857 903 2HE LYS 115 1HE LYS 115 60.714 54.621 43.315 904 1HZ LYS 115 1HZ LYS 115 63.005 52.808 43.742 905 2HZ LYS 115 2HZ LYS 115 62.736 53.446 42.223 906 3HZ LYS 115 3HZ LYS 115 61.627 52.417 42.877 907 H LEU 116 H LEU 116 60.683 58.454 46.505 908 HA LEU 116 HA LEU 116 63.070 60.159 47.349 909 1HB LEU 116 2HB LEU 116 61.725 61.170 49.027 910 2HB LEU 116 1HB LEU 116 60.882 61.295 47.445 911 HG LEU 116 HG LEU 116 59.945 58.854 48.487 912 1HD1 LEU 116 1HD1 LEU 116 60.797 59.712 50.858 913 2HD1 LEU 116 2HD1 LEU 116 59.026 59.587 50.755 914 3HD1 LEU 116 3HD1 LEU 116 59.908 61.219 50.567 915 1HD2 LEU 116 1HD2 LEU 116 57.754 60.392 48.799 916 2HD2 LEU 116 2HD2 LEU 116 58.499 60.235 47.122 917 3HD2 LEU 116 3HD2 LEU 116 58.804 61.672 48.164 918 H TYR 117 H TYR 117 63.136 60.070 49.959 919 HA TYR 117 HA TYR 117 63.253 57.135 50.499 920 1HB TYR 117 2HB TYR 117 65.466 59.197 50.263 921 2HB TYR 117 1HB TYR 117 65.594 58.169 51.712 922 HD1 TYR 117 HD1 TYR 117 67.549 58.322 49.322 923 HD2 TYR 117 HD2 TYR 117 64.321 55.517 50.080 924 HE1 TYR 117 HE1 TYR 117 68.630 56.640 47.967 925 HE2 TYR 117 HE2 TYR 117 65.442 53.882 48.720 926 HH TYR 117 HH TYR 117 67.943 53.452 48.027 927 H LEU 118 H LEU 118 61.364 57.736 51.404 928 HA LEU 118 HA LEU 118 61.479 59.373 53.885 929 1HB LEU 118 2HB LEU 118 59.297 59.038 53.008 930 2HB LEU 118 1HB LEU 118 59.440 57.215 52.977 931 HG LEU 118 HG LEU 118 59.791 57.581 55.658 932 1HD1 LEU 118 1HD1 LEU 118 59.958 59.730 56.136 933 2HD1 LEU 118 2HD1 LEU 118 58.172 59.743 56.045 934 3HD1 LEU 118 3HD1 LEU 118 59.194 60.305 54.635 935 1HD2 LEU 118 1HD2 LEU 118 57.369 57.133 55.860 936 2HD2 LEU 118 2HD2 LEU 118 57.684 56.811 54.084 937 3HD2 LEU 118 3HD2 LEU 118 57.002 58.428 54.689 938 H GLU 119 H GLU 119 61.737 58.782 56.050 939 HA GLU 119 HA GLU 119 62.999 56.058 56.472 940 1HB GLU 119 2HB GLU 119 64.182 58.530 57.785 941 2HB GLU 119 1HB GLU 119 64.802 56.875 57.510 942 1HG GLU 119 2HG GLU 119 64.330 57.547 54.902 943 2HG GLU 119 1HG GLU 119 64.749 59.204 55.631 944 H LEU 120 H LEU 120 62.254 54.993 58.195 945 HA LEU 120 HA LEU 120 60.472 56.688 59.838 946 1HB LEU 120 2HB LEU 120 60.291 53.891 58.966 947 2HB LEU 120 1HB LEU 120 59.879 54.068 60.715 948 HG LEU 120 HG LEU 120 58.633 55.243 58.190 949 1HD1 LEU 120 1HD1 LEU 120 57.164 54.280 60.736 950 2HD1 LEU 120 2HD1 LEU 120 57.593 53.172 59.323 951 3HD1 LEU 120 3HD1 LEU 120 56.448 54.554 59.109 952 1HD2 LEU 120 1HD2 LEU 120 58.539 57.356 59.387 953 2HD2 LEU 120 2HD2 LEU 120 58.543 56.570 60.969 954 3HD2 LEU 120 3HD2 LEU 120 57.026 56.590 59.963 955 H THR 121 H THR 121 61.306 57.390 61.515 956 HA THR 121 HA THR 121 63.466 55.884 62.936 957 HB THR 121 HB THR 121 63.470 57.986 64.448 958 HG1 THR 121 1HG THR 121 62.266 59.674 63.775 959 1HG2 THR 121 1HG2 THR 121 64.857 59.159 62.824 960 2HG2 THR 121 2HG2 THR 121 63.774 58.676 61.438 961 3HG2 THR 121 3HG2 THR 121 64.962 57.499 62.171 962 H CYS 122 H CYS 122 60.440 55.002 62.946 963 HA CYS 122 HA CYS 122 59.499 55.272 65.651 964 1HB CYS 122 2HB CYS 122 57.815 53.912 64.706 965 2HB CYS 122 1HB CYS 122 58.610 54.214 63.169 966 HG CYS 122 HG CYS 122 58.891 51.607 65.224 967 H GLY 123 H GLY 123 59.188 53.719 67.075 968 1HA GLY 123 1HA GLY 123 60.009 52.333 68.814 969 2HA GLY 123 2HA GLY 123 60.604 51.346 67.404 970 H ASP 124 H ASP 124 62.103 50.786 69.140 971 HA ASP 124 HA ASP 124 64.210 52.600 69.940 972 1HB ASP 124 2HB ASP 124 63.637 50.388 71.119 973 2HB ASP 124 1HB ASP 124 64.180 49.503 69.571 974 H GLN 125 H GLN 125 63.652 50.190 67.426 975 HA GLN 125 HA GLN 125 66.289 51.052 66.205 976 1HB GLN 125 2HB GLN 125 65.900 48.943 64.772 977 2HB GLN 125 1HB GLN 125 66.256 48.635 66.504 978 1HG GLN 125 2HG GLN 125 63.979 48.218 67.097 979 2HG GLN 125 1HG GLN 125 63.401 48.792 65.423 980 1HE2 GLN 125 1HE2 GLN 125 63.720 46.257 67.123 981 2HE2 GLN 125 2HE2 GLN 125 64.356 45.004 65.832 982 H VAL 126 H VAL 126 66.366 51.901 64.432 983 HA VAL 126 HA VAL 126 64.131 53.282 63.115 984 HB VAL 126 HB VAL 126 67.062 52.921 62.196 985 1HG1 VAL 126 1HG1 VAL 126 64.682 54.364 61.268 986 2HG1 VAL 126 2HG1 VAL 126 66.373 54.482 60.563 987 3HG1 VAL 126 3HG1 VAL 126 65.769 55.589 61.934 988 1HG2 VAL 126 1HG2 VAL 126 67.011 55.299 63.490 989 2HG2 VAL 126 2HG2 VAL 126 67.476 53.778 64.314 990 3HG2 VAL 126 3HG2 VAL 126 65.755 54.431 64.480 991 H CYS 127 H CYS 127 63.272 52.997 61.181 992 HA CYS 127 HA CYS 127 64.066 50.663 59.391 993 1HB CYS 127 2HB CYS 127 61.287 51.845 59.314 994 2HB CYS 127 1HB CYS 127 61.775 50.115 59.218 995 HG CYS 127 HG CYS 127 60.228 51.566 61.398 996 H ARG 128 H ARG 128 63.510 50.946 57.278 997 HA ARG 128 HA ARG 128 63.662 53.955 56.630 998 1HB ARG 128 2HB ARG 128 65.723 52.809 56.098 999 2HB ARG 128 1HB ARG 128 64.816 51.543 55.113 1000 1HG ARG 128 2HG ARG 128 63.976 53.828 53.795 1001 2HG ARG 128 1HG ARG 128 65.580 54.368 54.260 1002 1HD ARG 128 2HD ARG 128 64.689 51.815 52.755 1003 2HD ARG 128 1HD ARG 128 65.517 53.286 52.056 1004 HE ARG 128 HE ARG 128 67.102 52.136 54.150 1005 1HH1 ARG 128 2HH1 ARG 128 66.186 51.676 50.678 1006 2HH1 ARG 128 1HH1 ARG 128 67.666 50.874 50.278 1007 1HH2 ARG 128 2HH2 ARG 128 69.054 51.080 53.550 1008 2HH2 ARG 128 1HH2 ARG 128 69.351 50.519 51.917 1009 H GLN 129 H GLN 129 62.446 54.846 55.043 1010 HA GLN 129 HA GLN 129 60.327 52.890 54.179 1011 1HB GLN 129 2HB GLN 129 60.268 55.794 54.875 1012 2HB GLN 129 1HB GLN 129 59.340 55.370 53.350 1013 1HG GLN 129 2HG GLN 129 57.858 55.067 55.331 1014 2HG GLN 129 1HG GLN 129 58.262 53.496 54.452 1015 1HE2 GLN 129 1HE2 GLN 129 57.545 52.703 56.780 1016 2HE2 GLN 129 2HE2 GLN 129 58.817 52.629 57.969 1017 H VAL 130 H VAL 130 59.421 52.994 51.962 1018 HA VAL 130 HA VAL 130 61.410 53.990 49.969 1019 HB VAL 130 HB VAL 130 59.959 51.262 49.747 1020 1HG1 VAL 130 1HG1 VAL 130 60.340 52.265 47.548 1021 2HG1 VAL 130 2HG1 VAL 130 61.691 51.056 47.766 1022 3HG1 VAL 130 3HG1 VAL 130 61.916 52.882 48.050 1023 1HG2 VAL 130 1HG2 VAL 130 62.982 51.749 50.041 1024 2HG2 VAL 130 2HG2 VAL 130 62.092 50.189 50.048 1025 3HG2 VAL 130 3HG2 VAL 130 61.927 51.302 51.453 1026 H PHE 131 H PHE 131 60.288 55.664 49.718 1027 HA PHE 131 HA PHE 131 57.535 55.461 48.539 1028 1HB PHE 131 2HB PHE 131 59.306 57.500 49.978 1029 2HB PHE 131 1HB PHE 131 58.018 58.121 48.857 1030 HD1 PHE 131 HD1 PHE 131 57.826 55.180 51.203 1031 HD2 PHE 131 HD2 PHE 131 56.457 59.117 50.212 1032 HE1 PHE 131 HE1 PHE 131 56.008 54.987 53.032 1033 HE2 PHE 131 HE2 PHE 131 54.761 58.897 51.935 1034 HZ PHE 131 HZ PHE 131 54.563 56.865 53.307 1035 H LYS 132 H LYS 132 56.859 56.378 46.799 1036 HA LYS 132 HA LYS 132 58.853 57.668 44.991 1037 1HB LYS 132 2HB LYS 132 57.152 56.494 43.190 1038 2HB LYS 132 1HB LYS 132 58.485 55.502 43.905 1039 1HG LYS 132 2HG LYS 132 57.001 54.349 45.381 1040 2HG LYS 132 1HG LYS 132 55.640 55.574 45.157 1041 1HD LYS 132 2HD LYS 132 55.550 55.171 42.849 1042 2HD LYS 132 1HD LYS 132 56.797 53.788 42.990 1043 1HE LYS 132 2HE LYS 132 54.895 53.271 44.955 1044 2HE LYS 132 1HE LYS 132 53.846 53.825 43.563 1045 1HZ LYS 132 1HZ LYS 132 54.235 51.449 43.504 1046 2HZ LYS 132 2HZ LYS 132 55.911 51.670 43.480 1047 3HZ LYS 132 3HZ LYS 132 54.919 52.120 42.189 1048 H LYS 133 H LYS 133 57.659 59.203 43.640 1049 HA LYS 133 HA LYS 133 54.841 59.690 44.704 1050 1HB LYS 133 2HB LYS 133 55.417 61.764 45.710 1051 2HB LYS 133 1HB LYS 133 56.758 60.608 46.081 1052 1HG LYS 133 2HG LYS 133 58.279 61.889 45.071 1053 2HG LYS 133 1HG LYS 133 57.253 62.113 43.531 1054 1HD LYS 133 2HD LYS 133 56.384 63.756 45.884 1055 2HD LYS 133 1HD LYS 133 57.965 64.173 45.094 1056 1HE LYS 133 2HE LYS 133 56.950 63.977 42.865 1057 2HE LYS 133 1HE LYS 133 55.301 63.695 43.738 1058 1HZ LYS 133 1HZ LYS 133 55.425 65.769 44.658 1059 2HZ LYS 133 2HZ LYS 133 55.759 66.104 43.092 1060 3HZ LYS 133 3HZ LYS 133 57.008 66.099 44.259 1061 H LYS 134 H LYS 134 53.736 61.432 43.966 1062 HA LYS 134 HA LYS 134 54.476 62.588 41.381 1063 1HB LYS 134 2HB LYS 134 52.153 61.668 40.351 1064 2HB LYS 134 1HB LYS 134 53.553 60.524 40.457 1065 1HG LYS 134 2HG LYS 134 52.305 60.042 42.880 1066 2HG LYS 134 1HG LYS 134 50.872 60.579 41.850 1067 1HD LYS 134 2HD LYS 134 51.005 58.292 41.303 1068 2HD LYS 134 1HD LYS 134 52.074 59.073 40.024 1069 1HE LYS 134 2HE LYS 134 53.951 58.221 40.734 1070 2HE LYS 134 1HE LYS 134 53.506 58.532 42.504 1071 1HZ LYS 134 1HZ LYS 134 53.661 56.122 41.165 1072 2HZ LYS 134 2HZ LYS 134 52.006 56.303 41.524 1073 3HZ LYS 134 3HZ LYS 134 53.115 56.359 42.723 1074 1H2 RTL 135 1H2 RET 135 48.042 50.546 57.528 1075 2H2 RTL 135 2H2 RET 135 46.471 51.007 57.953 1076 1H3 RTL 135 1H3 RET 135 46.422 49.592 59.888 1077 2H3 RTL 135 2H3 RET 135 47.534 48.728 58.972 1078 1H4 RTL 135 1H4 RET 135 48.808 48.864 60.799 1079 2H4 RTL 135 2H4 RET 135 47.949 50.118 61.525 1080 H7 RTL 135 H7 RET 135 51.115 52.327 58.491 1081 H8 RTL 135 H8 RET 135 49.538 54.485 60.094 1082 H10 RTL 135 H10 RET 135 49.791 56.201 58.054 1083 H11 RTL 135 H11 RET 135 52.465 56.704 57.070 1084 H12 RTL 135 H12 RET 135 51.054 58.928 58.701 1085 H14 RTL 135 H14 RET 135 51.174 60.531 56.519 1086 1H15 RTL 135 1H15 RET 135 53.493 61.029 55.104 1087 2H15 RTL 135 2H15 RET 135 53.869 61.844 56.671 1088 HO1 RTL 135 H51 RET 135 52.800 63.347 55.802 1089 1H16 RTL 135 1H16 RET 135 48.731 53.160 57.246 1090 2H16 RTL 135 2H16 RET 135 48.122 54.231 58.534 1091 3H16 RTL 135 3H16 RET 135 46.986 53.304 57.580 1092 1H17 RTL 135 1H17 RET 135 46.571 53.655 59.461 1093 2H17 RTL 135 2H17 RET 135 47.649 53.315 60.802 1094 3H17 RTL 135 3H17 RET 135 46.346 52.167 60.345 1095 1H18 RTL 135 1H18 RET 135 51.638 50.559 60.290 1096 2H18 RTL 135 2H18 RET 135 50.878 49.135 60.912 1097 3H18 RTL 135 3H18 RET 135 50.947 50.681 61.890 1098 1H19 RTL 135 1H19 RET 135 52.858 53.761 59.577 1099 2H19 RTL 135 2H19 RET 135 52.904 55.353 60.349 1100 3H19 RTL 135 3H19 RET 135 53.361 55.149 58.597 1101 1H20 RTL 135 1H20 RET 135 54.248 58.151 58.236 1102 2H20 RTL 135 2H20 RET 135 54.496 59.919 58.328 1103 3H20 RTL 135 3H20 RET 135 54.699 59.036 56.808 Start of MODEL 18 1 1H MET 1 1H MET 1 64.068 76.070 50.456 2 2H MET 1 2H MET 1 63.433 74.550 50.578 3 3H MET 1 3H MET 1 62.998 75.569 49.311 4 HA MET 1 HA MET 1 64.937 75.292 48.076 5 1HB MET 1 2HB MET 1 66.067 74.490 50.816 6 2HB MET 1 1HB MET 1 66.845 73.989 49.252 7 1HG MET 1 2HG MET 1 66.071 76.916 49.575 8 2HG MET 1 1HG MET 1 67.496 76.427 50.392 9 1HE MET 1 1HE MET 1 67.328 78.461 48.476 10 2HE MET 1 2HE MET 1 68.042 78.285 46.844 11 3HE MET 1 3HE MET 1 69.118 78.088 48.153 12 H THR 2 H THR 2 63.814 73.982 46.920 13 HA THR 2 HA THR 2 63.144 71.955 45.966 14 HB THR 2 HB THR 2 65.037 70.617 48.034 15 HG1 THR 2 1HG THR 2 66.497 71.406 46.877 16 1HG2 THR 2 1HG2 THR 2 65.028 68.836 46.084 17 2HG2 THR 2 2HG2 THR 2 63.834 69.825 45.199 18 3HG2 THR 2 3HG2 THR 2 63.390 69.054 46.749 19 H LYS 3 H LYS 3 61.083 72.203 46.833 20 HA LYS 3 HA LYS 3 60.615 70.130 49.047 21 1HB LYS 3 2HB LYS 3 60.157 73.101 49.165 22 2HB LYS 3 1HB LYS 3 58.823 72.043 49.866 23 1HG LYS 3 2HG LYS 3 61.897 71.865 50.456 24 2HG LYS 3 1HG LYS 3 60.674 72.739 51.447 25 1HD LYS 3 2HD LYS 3 59.970 70.766 52.426 26 2HD LYS 3 1HD LYS 3 59.619 70.053 50.824 27 1HE LYS 3 2HE LYS 3 62.540 70.268 51.548 28 2HE LYS 3 1HE LYS 3 61.541 69.183 52.651 29 1HZ LYS 3 1HZ LYS 3 60.722 68.458 50.134 30 2HZ LYS 3 2HZ LYS 3 61.929 67.708 50.910 31 3HZ LYS 3 3HZ LYS 3 62.228 68.947 49.766 32 H ASP 4 H ASP 4 58.060 72.352 47.973 33 HA ASP 4 HA ASP 4 55.975 71.807 47.181 34 1HB ASP 4 2HB ASP 4 57.851 70.335 45.309 35 2HB ASP 4 1HB ASP 4 56.145 69.640 45.411 36 H GLN 5 H GLN 5 56.110 71.156 49.514 37 HA GLN 5 HA GLN 5 56.224 68.433 50.302 38 1HB GLN 5 2HB GLN 5 55.528 71.096 51.390 39 2HB GLN 5 1HB GLN 5 54.231 69.870 51.836 40 1HG GLN 5 2HG GLN 5 57.247 69.500 52.209 41 2HG GLN 5 1HG GLN 5 55.961 69.938 53.509 42 1HE2 GLN 5 2HE2 GLN 5 57.528 67.484 51.822 43 2HE2 GLN 5 1HE2 GLN 5 56.526 66.089 52.369 44 H ASN 6 H ASN 6 53.477 70.565 49.571 45 HA ASN 6 HA ASN 6 51.438 68.650 49.599 46 1HB ASN 6 2HB ASN 6 50.522 70.151 47.467 47 2HB ASN 6 1HB ASN 6 50.516 70.829 49.205 48 1HD2 ASN 6 2HD2 ASN 6 50.838 72.756 49.106 49 2HD2 ASN 6 1HD2 ASN 6 52.302 73.591 48.222 50 H GLY 7 H GLY 7 51.902 66.730 48.959 51 1HA GLY 7 1HA GLY 7 52.193 66.492 45.913 52 2HA GLY 7 2HA GLY 7 53.133 65.511 47.067 53 H THR 8 H THR 8 52.370 63.764 46.164 54 HA THR 8 HA THR 8 50.071 62.550 47.376 55 HB THR 8 HB THR 8 49.994 63.322 44.353 56 HG1 THR 8 1HG THR 8 47.893 63.777 44.973 57 1HG2 THR 8 1HG2 THR 8 48.781 61.016 46.103 58 2HG2 THR 8 2HG2 THR 8 49.686 60.737 44.572 59 3HG2 THR 8 3HG2 THR 8 48.037 61.437 44.470 60 H TRP 9 H TRP 9 50.325 60.435 47.291 61 HA TRP 9 HA TRP 9 52.286 59.087 45.676 62 1HB TRP 9 2HB TRP 9 53.897 58.796 47.917 63 2HB TRP 9 1HB TRP 9 54.233 60.018 46.638 64 HD1 TRP 9 HD1 TRP 9 51.784 59.939 49.626 65 HE1 TRP 9 HE1 TRP 9 51.927 62.260 50.862 66 HE3 TRP 9 HE3 TRP 9 55.156 61.871 46.698 67 HZ2 TRP 9 HZ2 TRP 9 53.415 64.530 50.424 68 HZ3 TRP 9 HZ3 TRP 9 56.035 64.172 47.034 69 HH2 TRP 9 HH2 TRP 9 55.189 65.491 48.863 70 H GLU 10 H GLU 10 52.507 56.991 45.716 71 HA GLU 10 HA GLU 10 50.822 55.626 47.802 72 1HB GLU 10 2HB GLU 10 51.811 54.575 45.055 73 2HB GLU 10 1HB GLU 10 50.618 53.838 46.264 74 1HG GLU 10 2HG GLU 10 49.571 56.397 45.849 75 2HG GLU 10 1HG GLU 10 50.503 56.101 44.300 76 H MET 11 H MET 11 51.879 54.757 49.256 77 HA MET 11 HA MET 11 54.696 54.345 49.635 78 1HB MET 11 2HB MET 11 52.101 52.908 50.590 79 2HB MET 11 1HB MET 11 53.765 52.199 50.948 80 1HG MET 11 2HG MET 11 54.476 54.290 52.068 81 2HG MET 11 1HG MET 11 52.973 55.039 51.555 82 1HE MET 11 1HE MET 11 54.556 52.240 54.588 83 2HE MET 11 2HE MET 11 54.468 51.918 52.812 84 3HE MET 11 3HE MET 11 53.341 51.129 53.904 85 H GLU 12 H GLU 12 56.030 52.842 49.433 86 HA GLU 12 HA GLU 12 55.474 50.760 47.329 87 1HB GLU 12 2HB GLU 12 57.177 52.397 46.457 88 2HB GLU 12 1HB GLU 12 58.014 52.303 48.069 89 1HG GLU 12 2HG GLU 12 58.603 49.985 47.710 90 2HG GLU 12 1HG GLU 12 57.362 49.902 46.302 91 H SER 13 H SER 13 57.765 51.456 49.867 92 HA SER 13 HA SER 13 57.115 48.841 51.172 93 1HB SER 13 2HB SER 13 59.628 49.520 49.560 94 2HB SER 13 1HB SER 13 59.881 48.692 51.189 95 HG SER 13 HG SER 13 58.427 47.753 48.988 96 H ASN 14 H ASN 14 58.623 48.358 52.773 97 HA ASN 14 HA ASN 14 59.953 50.384 54.377 98 1HB ASN 14 2HB ASN 14 58.233 49.623 56.388 99 2HB ASN 14 1HB ASN 14 57.805 51.041 55.272 100 1HD2 ASN 14 2HD2 ASN 14 56.305 50.871 53.978 101 2HD2 ASN 14 1HD2 ASN 14 55.145 49.378 53.785 102 H GLU 15 H GLU 15 61.444 49.655 55.421 103 HA GLU 15 HA GLU 15 61.590 46.721 55.464 104 1HB GLU 15 2HB GLU 15 63.290 48.803 57.107 105 2HB GLU 15 1HB GLU 15 63.899 47.177 56.603 106 1HG GLU 15 2HG GLU 15 63.374 47.816 54.163 107 2HG GLU 15 1HG GLU 15 63.358 49.568 54.902 108 H ASN 16 H ASN 16 62.755 46.340 58.034 109 HA ASN 16 HA ASN 16 61.744 45.298 59.847 110 1HB ASN 16 2HB ASN 16 62.737 48.092 60.094 111 2HB ASN 16 1HB ASN 16 61.718 47.517 61.580 112 1HD2 ASN 16 2HD2 ASN 16 64.589 47.458 59.935 113 2HD2 ASN 16 1HD2 ASN 16 65.436 46.198 61.082 114 H PHE 17 H PHE 17 59.803 45.442 58.381 115 HA PHE 17 HA PHE 17 57.412 46.906 58.939 116 1HB PHE 17 2HB PHE 17 56.918 43.939 58.888 117 2HB PHE 17 1HB PHE 17 56.219 45.295 57.897 118 HD1 PHE 17 HD1 PHE 17 57.198 45.785 55.728 119 HD2 PHE 17 HD2 PHE 17 59.097 43.022 58.304 120 HE1 PHE 17 HE1 PHE 17 58.691 45.080 53.905 121 HE2 PHE 17 HE2 PHE 17 60.646 42.275 56.477 122 HZ PHE 17 HZ PHE 17 60.431 43.331 54.221 123 H GLU 18 H GLU 18 59.050 44.398 60.630 124 HA GLU 18 HA GLU 18 57.049 43.916 62.758 125 1HB GLU 18 2HB GLU 18 60.177 43.591 62.736 126 2HB GLU 18 1HB GLU 18 58.918 42.664 63.681 127 1HG GLU 18 2HG GLU 18 57.982 41.695 61.700 128 2HG GLU 18 1HG GLU 18 59.403 42.360 60.641 129 H GLY 19 H GLY 19 60.030 46.060 62.471 130 1HA GLY 19 1HA GLY 19 59.725 46.530 65.369 131 2HA GLY 19 2HA GLY 19 60.827 47.482 64.296 132 H TYR 20 H TYR 20 58.206 47.915 62.503 133 HA TYR 20 HA TYR 20 57.573 50.401 64.040 134 1HB TYR 20 2HB TYR 20 57.620 50.252 61.381 135 2HB TYR 20 1HB TYR 20 56.172 49.174 61.524 136 HD1 TYR 20 HD1 TYR 20 57.311 52.511 61.243 137 HD2 TYR 20 HD2 TYR 20 54.170 50.122 62.908 138 HE1 TYR 20 HE1 TYR 20 55.868 54.504 61.321 139 HE2 TYR 20 HE2 TYR 20 52.689 52.015 63.030 140 HH TYR 20 HH TYR 20 52.535 54.231 62.731 141 H MET 21 H MET 21 56.166 47.339 63.218 142 HA MET 21 HA MET 21 53.530 47.887 64.348 143 1HB MET 21 2HB MET 21 53.176 45.686 63.489 144 2HB MET 21 1HB MET 21 54.787 46.017 62.755 145 1HG MET 21 2HG MET 21 55.386 44.031 63.830 146 2HG MET 21 1HG MET 21 55.519 44.942 65.295 147 1HE MET 21 1HE MET 21 54.614 42.157 66.560 148 2HE MET 21 2HE MET 21 55.235 42.151 64.797 149 3HE MET 21 3HE MET 21 53.873 41.233 65.199 150 H LYS 22 H LYS 22 56.485 47.187 65.548 151 HA LYS 22 HA LYS 22 55.582 46.096 68.100 152 1HB LYS 22 2HB LYS 22 57.933 45.560 67.090 153 2HB LYS 22 1HB LYS 22 58.318 47.346 67.269 154 1HG LYS 22 2HG LYS 22 58.057 47.260 69.661 155 2HG LYS 22 1HG LYS 22 57.343 45.578 69.550 156 1HD LYS 22 2HD LYS 22 59.520 44.636 69.302 157 2HD LYS 22 1HD LYS 22 60.124 46.034 68.323 158 1HE LYS 22 2HE LYS 22 60.961 47.040 70.305 159 2HE LYS 22 1HE LYS 22 59.376 46.778 71.103 160 1HZ LYS 22 1HZ LYS 22 61.523 45.643 71.935 161 2HZ LYS 22 2HZ LYS 22 61.220 44.449 70.742 162 3HZ LYS 22 3HZ LYS 22 60.108 44.770 71.939 163 H ALA 23 H ALA 23 56.444 49.065 66.799 164 HA ALA 23 HA ALA 23 56.580 50.442 69.408 165 1HB ALA 23 1HB ALA 23 57.876 51.149 67.410 166 2HB ALA 23 2HB ALA 23 56.894 52.513 68.055 167 3HB ALA 23 3HB ALA 23 56.320 51.651 66.566 168 H LEU 24 H LEU 24 54.397 49.871 66.857 169 HA LEU 24 HA LEU 24 52.247 51.646 67.948 170 1HB LEU 24 2HB LEU 24 52.888 51.053 65.345 171 2HB LEU 24 1HB LEU 24 52.071 49.505 65.731 172 HG LEU 24 HG LEU 24 49.982 50.668 66.366 173 1HD1 LEU 24 1HD1 LEU 24 51.871 52.981 66.394 174 2HD1 LEU 24 2HD1 LEU 24 50.325 52.810 67.336 175 3HD1 LEU 24 3HD1 LEU 24 50.300 53.383 65.609 176 1HD2 LEU 24 1HD2 LEU 24 49.271 51.441 64.152 177 2HD2 LEU 24 2HD2 LEU 24 50.592 50.233 63.907 178 3HD2 LEU 24 3HD2 LEU 24 50.918 52.014 63.741 179 H ASP 25 H ASP 25 53.290 48.412 67.763 180 HA ASP 25 HA ASP 25 52.438 46.276 68.506 181 1HB ASP 25 2HB ASP 25 51.820 46.486 70.962 182 2HB ASP 25 1HB ASP 25 53.363 47.300 70.429 183 H ILE 26 H ILE 26 50.771 47.240 66.644 184 HA ILE 26 HA ILE 26 48.086 47.404 67.757 185 HB ILE 26 HB ILE 26 49.277 47.244 64.964 186 1HG1 ILE 26 2HG1 ILE 26 46.916 48.817 66.184 187 2HG1 ILE 26 1HG1 ILE 26 48.712 49.229 66.180 188 1HG2 ILE 26 1HG2 ILE 26 47.406 45.360 64.940 189 2HG2 ILE 26 2HG2 ILE 26 46.878 46.824 64.036 190 3HG2 ILE 26 3HG2 ILE 26 46.359 46.672 65.744 191 1HD1 ILE 26 1HD1 ILE 26 48.830 49.451 63.831 192 2HD1 ILE 26 2HD1 ILE 26 47.336 50.321 64.259 193 3HD1 ILE 26 3HD1 ILE 26 47.206 48.672 63.542 194 H ASP 27 H ASP 27 49.697 45.075 65.721 195 HA ASP 27 HA ASP 27 49.426 42.784 67.320 196 1HB ASP 27 2HB ASP 27 46.920 43.009 67.034 197 2HB ASP 27 1HB ASP 27 47.213 43.176 65.183 198 H PHE 28 H PHE 28 49.757 40.696 65.866 199 HA PHE 28 HA PHE 28 51.869 41.057 64.061 200 1HB PHE 28 2HB PHE 28 49.750 38.862 64.645 201 2HB PHE 28 1HB PHE 28 50.985 38.667 63.338 202 HD1 PHE 28 HD1 PHE 28 53.275 38.259 63.968 203 HD2 PHE 28 HD2 PHE 28 50.321 39.129 66.926 204 HE1 PHE 28 HE1 PHE 28 54.901 37.531 65.761 205 HE2 PHE 28 HE2 PHE 28 51.878 38.436 68.750 206 HZ PHE 28 HZ PHE 28 54.193 37.614 68.170 207 H ALA 29 H ALA 29 48.478 41.348 63.390 208 HA ALA 29 HA ALA 29 48.433 40.680 60.524 209 1HB ALA 29 1HB ALA 29 46.645 42.505 62.280 210 2HB ALA 29 2HB ALA 29 46.446 40.717 62.011 211 3HB ALA 29 3HB ALA 29 46.284 41.844 60.581 212 H THR 30 H THR 30 48.827 43.652 62.422 213 HA THR 30 HA THR 30 48.609 45.619 60.539 214 HB THR 30 HB THR 30 50.142 45.349 63.070 215 HG1 THR 30 1HG THR 30 48.702 47.535 62.722 216 1HG2 THR 30 1HG2 THR 30 50.645 47.945 62.702 217 2HG2 THR 30 2HG2 THR 30 50.217 47.676 60.993 218 3HG2 THR 30 3HG2 THR 30 51.684 46.834 61.637 219 H ARG 31 H ARG 31 51.547 43.892 61.450 220 HA ARG 31 HA ARG 31 53.357 45.252 59.618 221 1HB ARG 31 2HB ARG 31 54.589 44.588 61.315 222 2HB ARG 31 1HB ARG 31 53.396 43.346 61.836 223 1HG ARG 31 2HG ARG 31 55.095 42.584 59.385 224 2HG ARG 31 1HG ARG 31 55.789 42.582 61.097 225 1HD ARG 31 2HD ARG 31 53.577 41.353 61.736 226 2HD ARG 31 1HD ARG 31 53.429 40.993 59.951 227 HE ARG 31 HE ARG 31 56.051 40.526 61.087 228 1HH1 ARG 31 2HH1 ARG 31 52.840 39.219 60.527 229 2HH1 ARG 31 1HH1 ARG 31 53.287 37.501 60.570 230 1HH2 ARG 31 2HH2 ARG 31 56.749 38.153 61.175 231 2HH2 ARG 31 1HH2 ARG 31 55.483 36.932 60.949 232 H LYS 32 H LYS 32 51.542 42.061 59.504 233 HA LYS 32 HA LYS 32 52.960 41.308 57.098 234 1HB LYS 32 2HB LYS 32 52.085 39.322 57.911 235 2HB LYS 32 1HB LYS 32 50.903 40.322 58.903 236 1HG LYS 32 2HG LYS 32 49.384 40.445 56.871 237 2HG LYS 32 1HG LYS 32 50.629 39.533 55.926 238 1HD LYS 32 2HD LYS 32 50.386 37.488 57.101 239 2HD LYS 32 1HD LYS 32 49.625 38.316 58.502 240 1HE LYS 32 2HE LYS 32 47.503 38.574 57.516 241 2HE LYS 32 1HE LYS 32 48.221 38.666 55.869 242 1HZ LYS 32 1HZ LYS 32 48.094 36.422 55.648 243 2HZ LYS 32 2HZ LYS 32 47.186 36.352 57.031 244 3HZ LYS 32 3HZ LYS 32 48.840 36.231 57.144 245 H ILE 33 H ILE 33 50.225 43.165 58.128 246 HA ILE 33 HA ILE 33 48.858 42.995 55.527 247 HB ILE 33 HB ILE 33 48.480 44.630 58.110 248 1HG1 ILE 33 2HG1 ILE 33 46.212 43.964 58.073 249 2HG1 ILE 33 1HG1 ILE 33 46.242 43.804 56.250 250 1HG2 ILE 33 1HG2 ILE 33 46.710 46.012 56.788 251 2HG2 ILE 33 2HG2 ILE 33 47.560 45.494 55.301 252 3HG2 ILE 33 3HG2 ILE 33 48.431 46.529 56.525 253 1HD1 ILE 33 1HD1 ILE 33 46.746 41.728 58.360 254 2HD1 ILE 33 2HD1 ILE 33 48.147 41.863 57.208 255 3HD1 ILE 33 3HD1 ILE 33 46.478 41.535 56.596 256 H ALA 34 H ALA 34 50.718 45.322 57.417 257 HA ALA 34 HA ALA 34 50.836 47.476 55.414 258 1HB ALA 34 1HB ALA 34 52.821 48.222 56.946 259 2HB ALA 34 2HB ALA 34 52.501 46.731 57.868 260 3HB ALA 34 3HB ALA 34 51.252 48.055 57.811 261 H VAL 35 H VAL 35 52.563 44.539 56.049 262 HA VAL 35 HA VAL 35 55.106 45.174 55.066 263 HB VAL 35 HB VAL 35 53.569 42.658 55.306 264 1HG1 VAL 35 1HG1 VAL 35 54.189 42.250 52.983 265 2HG1 VAL 35 2HG1 VAL 35 55.502 41.439 53.927 266 3HG1 VAL 35 3HG1 VAL 35 55.823 43.017 53.173 267 1HG2 VAL 35 1HG2 VAL 35 55.322 42.123 56.688 268 2HG2 VAL 35 2HG2 VAL 35 55.634 43.917 56.622 269 3HG2 VAL 35 3HG2 VAL 35 56.569 42.811 55.528 270 H ARG 36 H ARG 36 52.444 43.828 53.359 271 HA ARG 36 HA ARG 36 53.728 44.304 50.656 272 1HB ARG 36 2HB ARG 36 52.582 42.516 49.908 273 2HB ARG 36 1HB ARG 36 52.304 42.179 51.665 274 1HG ARG 36 2HG ARG 36 50.286 43.808 49.933 275 2HG ARG 36 1HG ARG 36 50.237 42.024 50.229 276 1HD ARG 36 2HD ARG 36 50.666 43.178 52.802 277 2HD ARG 36 1HD ARG 36 49.401 44.184 51.997 278 HE ARG 36 HE ARG 36 49.177 41.330 52.749 279 1HH1 ARG 36 1HH1 ARG 36 48.103 43.901 50.539 280 2HH1 ARG 36 2HH1 ARG 36 46.577 43.163 50.130 281 1HH2 ARG 36 1HH2 ARG 36 47.138 40.353 52.227 282 2HH2 ARG 36 2HH2 ARG 36 46.013 41.142 51.085 283 H LEU 37 H LEU 37 51.446 45.823 52.760 284 HA LEU 37 HA LEU 37 49.767 46.746 50.647 285 1HB LEU 37 2HB LEU 37 50.281 47.242 53.558 286 2HB LEU 37 1HB LEU 37 50.241 48.841 52.702 287 HG LEU 37 HG LEU 37 48.089 47.170 53.585 288 1HD1 LEU 37 1HD1 LEU 37 47.828 49.701 51.887 289 2HD1 LEU 37 2HD1 LEU 37 48.704 49.761 53.453 290 3HD1 LEU 37 3HD1 LEU 37 46.953 49.223 53.422 291 1HD2 LEU 37 1HD2 LEU 37 48.131 47.798 50.523 292 2HD2 LEU 37 2HD2 LEU 37 46.645 47.310 51.438 293 3HD2 LEU 37 3HD2 LEU 37 48.021 46.137 51.290 294 H THR 38 H THR 38 49.671 48.645 49.634 295 HA THR 38 HA THR 38 52.093 50.357 49.283 296 HB THR 38 HB THR 38 51.174 50.123 46.757 297 HG1 THR 38 1HG THR 38 49.612 48.580 47.599 298 1HG2 THR 38 1HG2 THR 38 53.305 49.048 48.261 299 2HG2 THR 38 2HG2 THR 38 53.305 48.959 46.487 300 3HG2 THR 38 3HG2 THR 38 52.547 47.587 47.463 301 H GLN 39 H GLN 39 49.976 51.000 50.914 302 HA GLN 39 HA GLN 39 47.830 52.231 49.600 303 1HB GLN 39 2HB GLN 39 47.503 53.266 51.899 304 2HB GLN 39 1HB GLN 39 48.222 51.566 52.017 305 1HG GLN 39 2HG GLN 39 49.632 52.766 53.467 306 2HG GLN 39 1HG GLN 39 50.487 52.778 51.812 307 1HE2 GLN 39 1HE2 GLN 39 47.968 54.449 53.635 308 2HE2 GLN 39 2HE2 GLN 39 48.442 56.128 53.330 309 H THR 40 H THR 40 47.264 54.333 49.915 310 HA THR 40 HA THR 40 49.113 56.374 48.726 311 HB THR 40 HB THR 40 46.076 56.475 48.831 312 HG1 THR 40 1HG THR 40 47.671 54.721 47.380 313 1HG2 THR 40 1HG2 THR 40 48.419 57.483 47.022 314 2HG2 THR 40 2HG2 THR 40 47.072 58.454 47.718 315 3HG2 THR 40 3HG2 THR 40 46.806 57.331 46.283 316 H LYS 41 H LYS 41 48.703 58.447 49.112 317 HA LYS 41 HA LYS 41 47.187 59.489 51.386 318 1HB LYS 41 2HB LYS 41 48.808 58.194 52.801 319 2HB LYS 41 1HB LYS 41 50.173 58.675 51.692 320 1HG LYS 41 2HG LYS 41 49.649 61.157 52.576 321 2HG LYS 41 1HG LYS 41 48.759 60.284 53.877 322 1HD LYS 41 2HD LYS 41 50.857 60.350 54.815 323 2HD LYS 41 1HD LYS 41 51.076 58.805 53.864 324 1HE LYS 41 2HE LYS 41 51.835 60.480 51.903 325 2HE LYS 41 1HE LYS 41 52.157 61.594 53.297 326 1HZ LYS 41 1HZ LYS 41 53.899 59.817 52.389 327 2HZ LYS 41 2HZ LYS 41 53.019 58.760 53.402 328 3HZ LYS 41 3HZ LYS 41 53.776 60.124 54.012 329 H ILE 42 H ILE 42 47.424 61.738 51.672 330 HA ILE 42 HA ILE 42 49.672 62.817 50.038 331 HB ILE 42 HB ILE 42 48.287 62.959 48.116 332 1HG1 ILE 42 2HG1 ILE 42 46.767 65.105 49.717 333 2HG1 ILE 42 1HG1 ILE 42 48.451 65.371 49.151 334 1HG2 ILE 42 1HG2 ILE 42 45.729 63.087 48.449 335 2HG2 ILE 42 2HG2 ILE 42 45.997 62.645 50.176 336 3HG2 ILE 42 3HG2 ILE 42 46.488 61.520 48.839 337 1HD1 ILE 42 1HD1 ILE 42 46.621 64.164 47.108 338 2HD1 ILE 42 2HD1 ILE 42 47.755 65.553 46.857 339 3HD1 ILE 42 3HD1 ILE 42 46.146 65.847 47.593 340 H ILE 43 H ILE 43 50.528 64.408 50.778 341 HA ILE 43 HA ILE 43 49.436 65.888 53.155 342 HB ILE 43 HB ILE 43 51.957 66.151 51.486 343 1HG1 ILE 43 2HG1 ILE 43 51.650 64.167 53.894 344 2HG1 ILE 43 1HG1 ILE 43 51.579 63.654 52.165 345 1HG2 ILE 43 1HG2 ILE 43 52.864 66.299 54.074 346 2HG2 ILE 43 2HG2 ILE 43 51.131 66.736 54.365 347 3HG2 ILE 43 3HG2 ILE 43 52.142 67.763 53.247 348 1HD1 ILE 43 1HD1 ILE 43 53.901 65.342 52.500 349 2HD1 ILE 43 2HD1 ILE 43 53.904 63.579 52.100 350 3HD1 ILE 43 3HD1 ILE 43 53.958 64.043 53.785 351 H VAL 44 H VAL 44 49.729 68.172 53.233 352 HA VAL 44 HA VAL 44 50.237 69.724 50.728 353 HB VAL 44 HB VAL 44 47.807 68.571 50.659 354 1HG1 VAL 44 1HG1 VAL 44 46.018 70.218 51.325 355 2HG1 VAL 44 2HG1 VAL 44 47.290 71.246 52.124 356 3HG1 VAL 44 3HG1 VAL 44 46.976 69.590 52.719 357 1HG2 VAL 44 1HG2 VAL 44 47.021 70.611 49.213 358 2HG2 VAL 44 2HG2 VAL 44 48.643 69.919 48.779 359 3HG2 VAL 44 3HG2 VAL 44 48.547 71.452 49.711 360 H GLN 45 H GLN 45 50.773 71.682 51.168 361 HA GLN 45 HA GLN 45 49.668 73.026 53.606 362 1HB GLN 45 2HB GLN 45 52.528 73.394 53.484 363 2HB GLN 45 1HB GLN 45 51.590 72.799 54.906 364 1HG GLN 45 2HG GLN 45 51.723 70.441 53.901 365 2HG GLN 45 1HG GLN 45 52.563 71.215 52.419 366 1HE2 GLN 45 1HE2 GLN 45 53.015 69.333 54.924 367 2HE2 GLN 45 2HE2 GLN 45 54.752 69.850 55.382 368 H ASP 46 H ASP 46 50.518 74.852 54.225 369 HA ASP 46 HA ASP 46 51.071 76.589 51.856 370 1HB ASP 46 2HB ASP 46 48.611 76.363 52.954 371 2HB ASP 46 1HB ASP 46 49.289 77.631 54.094 372 H GLY 47 H GLY 47 51.133 76.470 55.339 373 1HA GLY 47 1HA GLY 47 53.764 77.937 55.363 374 2HA GLY 47 2HA GLY 47 52.338 78.791 56.206 375 H ASP 48 H ASP 48 51.133 76.872 57.279 376 HA ASP 48 HA ASP 48 52.785 75.111 58.934 377 1HB ASP 48 2HB ASP 48 52.442 76.546 61.115 378 2HB ASP 48 1HB ASP 48 53.476 77.429 59.791 379 H ASN 49 H ASN 49 50.655 74.538 57.712 380 HA ASN 49 HA ASN 49 49.003 73.306 59.763 381 1HB ASN 49 2HB ASN 49 46.751 74.498 58.792 382 2HB ASN 49 1HB ASN 49 47.775 75.344 60.045 383 1HD2 ASN 49 1HD2 ASN 49 47.585 77.276 59.558 384 2HD2 ASN 49 2HD2 ASN 49 47.948 78.045 57.875 385 H PHE 50 H PHE 50 50.032 71.780 58.390 386 HA PHE 50 HA PHE 50 48.750 71.257 55.761 387 1HB PHE 50 2HB PHE 50 50.449 69.574 55.386 388 2HB PHE 50 1HB PHE 50 51.222 71.145 55.880 389 HD1 PHE 50 HD1 PHE 50 52.618 71.357 57.672 390 HD2 PHE 50 HD2 PHE 50 50.069 67.900 57.272 391 HE1 PHE 50 HE1 PHE 50 53.743 70.233 59.627 392 HE2 PHE 50 HE2 PHE 50 51.178 66.772 59.219 393 HZ PHE 50 HZ PHE 50 52.971 67.975 60.316 394 H LYS 51 H LYS 51 48.267 69.072 55.065 395 HA LYS 51 HA LYS 51 47.277 67.394 57.249 396 1HB LYS 51 2HB LYS 51 45.352 68.668 57.061 397 2HB LYS 51 1HB LYS 51 45.503 68.854 55.241 398 1HG LYS 51 2HG LYS 51 45.198 66.034 56.436 399 2HG LYS 51 1HG LYS 51 43.742 67.135 56.460 400 1HD LYS 51 2HD LYS 51 44.476 67.590 53.947 401 2HD LYS 51 1HD LYS 51 45.311 65.974 54.118 402 1HE LYS 51 2HE LYS 51 43.261 65.304 53.279 403 2HE LYS 51 1HE LYS 51 42.929 65.286 55.081 404 1HZ LYS 51 1HZ LYS 51 41.171 66.476 53.938 405 2HZ LYS 51 2HZ LYS 51 42.203 67.412 53.064 406 3HZ LYS 51 3HZ LYS 51 42.069 67.636 54.720 407 H THR 52 H THR 52 47.353 65.462 56.996 408 HA THR 52 HA THR 52 47.633 64.252 54.196 409 HB THR 52 HB THR 52 49.815 64.279 54.687 410 HG1 THR 52 1HG THR 52 49.549 62.299 54.743 411 1HG2 THR 52 1HG2 THR 52 48.936 64.559 57.711 412 2HG2 THR 52 2HG2 THR 52 49.814 65.775 56.675 413 3HG2 THR 52 3HG2 THR 52 50.640 64.263 57.211 414 H LYS 53 H LYS 53 46.467 62.367 53.931 415 HA LYS 53 HA LYS 53 45.906 60.852 56.472 416 1HB LYS 53 2HB LYS 53 43.540 60.605 54.734 417 2HB LYS 53 1HB LYS 53 43.669 61.250 56.404 418 1HG LYS 53 2HG LYS 53 42.632 62.950 55.188 419 2HG LYS 53 1HG LYS 53 44.424 63.454 55.293 420 1HD LYS 53 2HD LYS 53 44.345 63.700 53.066 421 2HD LYS 53 1HD LYS 53 44.307 61.842 53.059 422 1HE LYS 53 2HE LYS 53 41.751 62.017 53.182 423 2HE LYS 53 1HE LYS 53 41.912 63.783 52.725 424 1HZ LYS 53 1HZ LYS 53 42.476 61.308 51.229 425 2HZ LYS 53 2HZ LYS 53 43.397 62.623 50.846 426 3HZ LYS 53 3HZ LYS 53 41.787 62.759 50.696 427 H THR 54 H THR 54 45.842 58.903 56.309 428 HA THR 54 HA THR 54 47.111 57.711 53.932 429 HB THR 54 HB THR 54 47.585 55.855 55.133 430 HG1 THR 54 1HG THR 54 46.089 54.907 55.977 431 1HG2 THR 54 1HG2 THR 54 48.614 56.587 57.007 432 2HG2 THR 54 2HG2 THR 54 47.160 57.517 57.677 433 3HG2 THR 54 3HG2 THR 54 48.152 58.254 56.414 434 H ASN 55 H ASN 55 46.419 55.942 52.721 435 HA ASN 55 HA ASN 55 43.533 55.201 52.872 436 1HB ASN 55 2HB ASN 55 44.094 57.160 51.150 437 2HB ASN 55 1HB ASN 55 44.426 55.609 50.077 438 1HD2 ASN 55 1HD2 ASN 55 42.281 56.936 52.548 439 2HD2 ASN 55 2HD2 ASN 55 40.712 56.252 51.730 440 H SER 56 H SER 56 44.855 53.737 53.945 441 HA SER 56 HA SER 56 46.407 51.642 52.599 442 1HB SER 56 2HB SER 56 45.811 52.471 55.352 443 2HB SER 56 1HB SER 56 45.386 50.660 55.011 444 HG SER 56 HG SER 56 47.441 50.380 55.008 445 H THR 57 H THR 57 43.546 51.332 54.518 446 HA THR 57 HA THR 57 41.416 50.633 53.303 447 HB THR 57 HB THR 57 43.486 48.520 52.401 448 HG1 THR 57 1HG THR 57 41.717 49.061 50.559 449 1HG2 THR 57 1HG2 THR 57 40.436 48.435 52.090 450 2HG2 THR 57 2HG2 THR 57 41.182 47.542 53.504 451 3HG2 THR 57 3HG2 THR 57 41.607 47.050 51.834 452 H PHE 58 H PHE 58 44.085 49.205 54.775 453 HA PHE 58 HA PHE 58 42.684 47.534 56.687 454 1HB PHE 58 2HB PHE 58 45.174 47.124 56.257 455 2HB PHE 58 1HB PHE 58 45.478 48.682 57.079 456 HD1 PHE 58 HD1 PHE 58 43.892 45.295 57.605 457 HD2 PHE 58 HD2 PHE 58 45.743 48.741 59.384 458 HE1 PHE 58 HE1 PHE 58 44.013 44.114 59.884 459 HE2 PHE 58 HE2 PHE 58 45.840 47.546 61.583 460 HZ PHE 58 HZ PHE 58 44.981 45.269 61.773 461 H ARG 59 H ARG 59 44.556 50.490 57.367 462 HA ARG 59 HA ARG 59 42.333 51.395 59.316 463 1HB ARG 59 2HB ARG 59 45.262 51.047 60.026 464 2HB ARG 59 1HB ARG 59 44.128 52.264 60.870 465 1HG ARG 59 2HG ARG 59 43.593 49.245 60.647 466 2HG ARG 59 1HG ARG 59 44.454 50.129 62.045 467 1HD ARG 59 2HD ARG 59 42.388 51.573 62.354 468 2HD ARG 59 1HD ARG 59 41.643 50.588 61.040 469 HE ARG 59 HE ARG 59 42.479 48.667 62.825 470 1HH1 ARG 59 2HH2 ARG 59 40.421 51.609 62.871 471 2HH1 ARG 59 1HH2 ARG 59 39.360 50.964 64.056 472 1HH2 ARG 59 1HH1 ARG 59 40.752 47.877 64.633 473 2HH2 ARG 59 2HH1 ARG 59 39.539 49.041 64.966 474 H ASN 60 H ASN 60 41.746 53.221 58.915 475 HA ASN 60 HA ASN 60 43.671 54.944 57.418 476 1HB ASN 60 2HB ASN 60 41.570 56.528 57.296 477 2HB ASN 60 1HB ASN 60 41.194 54.835 56.602 478 1HD2 ASN 60 1HD2 ASN 60 40.644 57.186 58.935 479 2HD2 ASN 60 2HD2 ASN 60 39.381 56.344 59.878 480 H TYR 61 H TYR 61 44.310 56.760 57.884 481 HA TYR 61 HA TYR 61 43.753 57.889 60.579 482 1HB TYR 61 2HB TYR 61 45.469 55.999 60.855 483 2HB TYR 61 1HB TYR 61 46.582 56.974 59.728 484 HD1 TYR 61 HD1 TYR 61 44.360 57.731 62.610 485 HD2 TYR 61 HD2 TYR 61 48.363 57.973 61.000 486 HE1 TYR 61 HE1 TYR 61 45.055 58.939 64.585 487 HE2 TYR 61 HE2 TYR 61 49.028 59.198 63.018 488 HH TYR 61 HH TYR 61 48.313 60.261 64.815 489 H ASP 62 H ASP 62 44.555 59.918 60.974 490 HA ASP 62 HA ASP 62 45.586 61.360 58.531 491 1HB ASP 62 2HB ASP 62 44.213 63.285 58.932 492 2HB ASP 62 1HB ASP 62 43.148 61.734 59.116 493 H LEU 63 H LEU 63 47.142 62.764 58.707 494 HA LEU 63 HA LEU 63 48.485 63.050 61.389 495 1HB LEU 63 2HB LEU 63 49.308 62.405 58.663 496 2HB LEU 63 1HB LEU 63 50.135 63.943 59.131 497 HG LEU 63 HG LEU 63 51.551 62.033 59.830 498 1HD1 LEU 63 1HD1 LEU 63 50.318 63.794 61.781 499 2HD1 LEU 63 2HD1 LEU 63 51.979 62.988 61.705 500 3HD1 LEU 63 3HD1 LEU 63 50.552 62.203 62.538 501 1HD2 LEU 63 1HD2 LEU 63 50.376 60.251 61.390 502 2HD2 LEU 63 2HD2 LEU 63 50.150 60.159 59.629 503 3HD2 LEU 63 3HD2 LEU 63 48.822 60.923 60.601 504 H ASP 64 H ASP 64 46.176 64.694 60.473 505 HA ASP 64 HA ASP 64 46.869 67.239 59.567 506 1HB ASP 64 2HB ASP 64 44.946 65.938 61.501 507 2HB ASP 64 1HB ASP 64 44.955 67.829 61.495 508 H PHE 65 H PHE 65 48.483 68.517 60.167 509 HA PHE 65 HA PHE 65 48.881 69.160 63.017 510 1HB PHE 65 2HB PHE 65 50.095 66.956 62.512 511 2HB PHE 65 1HB PHE 65 51.054 67.836 61.281 512 HD1 PHE 65 HD1 PHE 65 49.880 69.147 64.638 513 HD2 PHE 65 HD2 PHE 65 53.105 67.620 62.209 514 HE1 PHE 65 HE1 PHE 65 51.432 69.763 66.352 515 HE2 PHE 65 HE2 PHE 65 54.718 68.263 63.998 516 HZ PHE 65 HZ PHE 65 53.922 69.321 66.061 517 H THR 66 H THR 66 50.122 70.883 63.271 518 HA THR 66 HA THR 66 50.437 72.861 61.013 519 HB THR 66 HB THR 66 51.200 74.080 63.334 520 HG1 THR 66 1HG THR 66 49.582 72.937 64.774 521 1HG2 THR 66 1HG2 THR 66 48.214 73.143 63.087 522 2HG2 THR 66 2HG2 THR 66 48.874 74.369 61.904 523 3HG2 THR 66 3HG2 THR 66 48.869 74.782 63.628 524 H VAL 67 H VAL 67 52.370 74.260 61.229 525 HA VAL 67 HA VAL 67 54.681 72.304 61.476 526 HB VAL 67 HB VAL 67 54.381 75.071 60.176 527 1HG1 VAL 67 1HG1 VAL 67 56.699 74.901 61.038 528 2HG1 VAL 67 2HG1 VAL 67 56.648 74.642 59.215 529 3HG1 VAL 67 3HG1 VAL 67 56.808 73.211 60.327 530 1HG2 VAL 67 1HG2 VAL 67 54.910 73.733 58.076 531 2HG2 VAL 67 2HG2 VAL 67 53.382 73.131 58.893 532 3HG2 VAL 67 3HG2 VAL 67 54.995 72.280 59.132 533 H GLY 68 H GLY 68 55.647 72.055 63.179 534 1HA GLY 68 1HA GLY 68 57.052 72.665 64.977 535 2HA GLY 68 2HA GLY 68 56.807 74.434 64.462 536 H VAL 69 H VAL 69 53.777 73.573 64.709 537 HA VAL 69 HA VAL 69 53.651 74.477 67.614 538 HB VAL 69 HB VAL 69 51.712 74.125 65.258 539 1HG1 VAL 69 1HG1 VAL 69 51.241 74.449 68.159 540 2HG1 VAL 69 2HG1 VAL 69 50.118 73.887 66.915 541 3HG1 VAL 69 3HG1 VAL 69 50.333 75.678 67.123 542 1HG2 VAL 69 1HG2 VAL 69 51.440 76.715 65.671 543 2HG2 VAL 69 2HG2 VAL 69 52.787 76.070 64.659 544 3HG2 VAL 69 3HG2 VAL 69 53.132 76.628 66.370 545 H GLU 70 H GLU 70 53.994 72.785 68.720 546 HA GLU 70 HA GLU 70 53.311 70.158 68.122 547 1HB GLU 70 2HB GLU 70 53.242 69.695 70.607 548 2HB GLU 70 1HB GLU 70 54.699 70.660 70.012 549 1HG GLU 70 2HG GLU 70 52.772 72.578 70.643 550 2HG GLU 70 1HG GLU 70 52.757 71.357 72.083 551 H PHE 71 H PHE 71 51.790 68.776 68.750 552 HA PHE 71 HA PHE 71 49.183 69.769 69.729 553 1HB PHE 71 2HB PHE 71 49.226 70.720 67.395 554 2HB PHE 71 1HB PHE 71 49.318 69.078 66.685 555 HD1 PHE 71 HD1 PHE 71 47.360 70.470 69.574 556 HD2 PHE 71 HD2 PHE 71 47.230 68.575 65.777 557 HE1 PHE 71 HE1 PHE 71 44.951 70.290 69.747 558 HE2 PHE 71 HE2 PHE 71 44.745 68.349 65.886 559 HZ PHE 71 HZ PHE 71 43.601 69.256 67.959 560 H ASP 72 H ASP 72 48.821 68.156 71.024 561 HA ASP 72 HA ASP 72 49.287 65.415 70.471 562 1HB ASP 72 2HB ASP 72 47.405 65.086 72.276 563 2HB ASP 72 1HB ASP 72 48.879 66.137 72.791 564 H GLU 73 H GLU 73 48.172 63.796 69.729 565 HA GLU 73 HA GLU 73 45.511 64.314 68.397 566 1HB GLU 73 2HB GLU 73 48.130 63.992 67.256 567 2HB GLU 73 1HB GLU 73 47.388 62.329 67.156 568 1HG GLU 73 2HG GLU 73 47.105 64.098 65.189 569 2HG GLU 73 1HG GLU 73 45.692 63.000 65.725 570 H HIS 74 H HIS 74 45.109 61.974 67.450 571 HA HIS 74 HA HIS 74 45.311 59.986 69.690 572 1HB HIS 74 2HB HIS 74 42.964 61.620 69.051 573 2HB HIS 74 1HB HIS 74 42.614 59.863 68.753 574 HD1 HIS 74 HD1 HIS 74 41.897 61.984 71.391 575 HD2 HIS 74 HD2 HIS 74 44.417 58.569 71.003 576 HE1 HIS 74 HE1 HIS 74 42.172 61.041 73.725 577 HE2 HIS 74 HE2 HIS 74 43.709 58.959 73.488 578 H THR 75 H THR 75 45.858 58.184 69.036 579 HA THR 75 HA THR 75 45.567 57.374 66.216 580 HB THR 75 HB THR 75 47.124 55.436 67.542 581 HG1 THR 75 1HG THR 75 48.377 57.021 68.870 582 1HG2 THR 75 1HG2 THR 75 47.515 57.431 65.645 583 2HG2 THR 75 2HG2 THR 75 48.957 56.643 66.450 584 3HG2 THR 75 3HG2 THR 75 48.416 58.265 66.995 585 H LYS 76 H LYS 76 43.498 57.367 68.242 586 HA LYS 76 HA LYS 76 42.810 54.761 69.242 587 1HB LYS 76 2HB LYS 76 41.298 57.358 68.684 588 2HB LYS 76 1HB LYS 76 40.370 55.828 69.011 589 1HG LYS 76 2HG LYS 76 42.085 55.461 71.012 590 2HG LYS 76 1HG LYS 76 42.528 57.216 70.682 591 1HD LYS 76 2HD LYS 76 40.931 57.035 72.493 592 2HD LYS 76 1HD LYS 76 40.212 57.888 71.061 593 1HE LYS 76 2HE LYS 76 38.592 56.215 70.834 594 2HE LYS 76 1HE LYS 76 39.858 54.904 71.049 595 1HZ LYS 76 1HZ LYS 76 39.820 55.610 73.422 596 2HZ LYS 76 2HZ LYS 76 38.630 54.555 72.963 597 3HZ LYS 76 3HZ LYS 76 38.291 56.184 73.229 598 H GLY 77 H GLY 77 43.247 53.336 67.936 599 1HA GLY 77 1HA GLY 77 41.472 51.825 66.704 600 2HA GLY 77 2HA GLY 77 41.690 52.991 65.339 601 H LEU 78 H LEU 78 44.275 53.560 66.087 602 HA LEU 78 HA LEU 78 45.694 51.329 64.615 603 1HB LEU 78 2HB LEU 78 46.141 54.294 65.359 604 2HB LEU 78 1HB LEU 78 47.531 53.315 64.756 605 HG LEU 78 HG LEU 78 45.355 52.731 62.982 606 1HD1 LEU 78 1HD1 LEU 78 44.357 54.772 64.377 607 2HD1 LEU 78 2HD1 LEU 78 44.008 54.374 62.608 608 3HD1 LEU 78 3HD1 LEU 78 45.171 55.706 63.074 609 1HD2 LEU 78 1HD2 LEU 78 47.501 54.983 62.840 610 2HD2 LEU 78 2HD2 LEU 78 46.588 54.393 61.393 611 3HD2 LEU 78 3HD2 LEU 78 47.757 53.314 62.255 612 H ASP 79 H ASP 79 44.857 51.504 67.618 613 HA ASP 79 HA ASP 79 45.647 50.911 69.571 614 1HB ASP 79 2HB ASP 79 47.731 49.605 67.825 615 2HB ASP 79 1HB ASP 79 47.445 49.130 69.641 616 H GLY 80 H GLY 80 46.157 53.274 69.339 617 1HA GLY 80 1HA GLY 80 48.885 53.722 70.507 618 2HA GLY 80 2HA GLY 80 48.229 54.861 69.198 619 H ARG 81 H ARG 81 45.887 55.317 69.878 620 HA ARG 81 HA ARG 81 44.440 56.628 71.181 621 1HB ARG 81 2HB ARG 81 45.520 55.120 73.677 622 2HB ARG 81 1HB ARG 81 43.814 55.565 73.247 623 1HG ARG 81 2HG ARG 81 44.334 54.030 71.061 624 2HG ARG 81 1HG ARG 81 45.658 53.369 72.014 625 1HD ARG 81 2HD ARG 81 43.779 53.004 73.860 626 2HD ARG 81 1HD ARG 81 42.587 53.215 72.538 627 HE ARG 81 HE ARG 81 44.339 51.471 71.402 628 1HH1 ARG 81 1HH2 ARG 81 42.673 51.608 74.599 629 2HH1 ARG 81 2HH2 ARG 81 42.597 49.860 74.794 630 1HH2 ARG 81 1HH1 ARG 81 44.192 49.052 71.761 631 2HH2 ARG 81 2HH1 ARG 81 43.416 48.444 73.248 632 H ASN 82 H ASN 82 47.519 57.468 71.210 633 HA ASN 82 HA ASN 82 46.966 59.874 72.479 634 1HB ASN 82 2HB ASN 82 46.794 59.009 74.751 635 2HB ASN 82 1HB ASN 82 48.262 57.864 74.455 636 1HD2 ASN 82 2HD2 ASN 82 50.091 58.579 74.966 637 2HD2 ASN 82 1HD2 ASN 82 50.549 60.225 75.442 638 H VAL 83 H VAL 83 48.174 60.944 71.178 639 HA VAL 83 HA VAL 83 51.098 60.526 71.578 640 HB VAL 83 HB VAL 83 51.753 59.902 69.592 641 1HG1 VAL 83 1HG1 VAL 83 48.746 59.074 69.509 642 2HG1 VAL 83 2HG1 VAL 83 50.080 58.169 70.224 643 3HG1 VAL 83 3HG1 VAL 83 49.988 58.411 68.383 644 1HG2 VAL 83 1HG2 VAL 83 51.167 61.754 68.168 645 2HG2 VAL 83 2HG2 VAL 83 49.436 61.516 68.479 646 3HG2 VAL 83 3HG2 VAL 83 50.293 60.312 67.383 647 H LYS 84 H LYS 84 52.410 62.047 71.359 648 HA LYS 84 HA LYS 84 51.322 64.784 70.765 649 1HB LYS 84 2HB LYS 84 53.384 63.562 72.570 650 2HB LYS 84 1HB LYS 84 53.631 65.287 72.038 651 1HG LYS 84 2HG LYS 84 52.270 65.647 73.917 652 2HG LYS 84 1HG LYS 84 50.968 65.416 72.626 653 1HD LYS 84 2HD LYS 84 50.381 63.969 74.442 654 2HD LYS 84 1HD LYS 84 51.112 62.870 73.229 655 1HE LYS 84 2HE LYS 84 52.593 62.168 75.025 656 2HE LYS 84 1HE LYS 84 53.415 63.741 74.670 657 1HZ LYS 84 1HZ LYS 84 52.231 64.805 76.328 658 2HZ LYS 84 2HZ LYS 84 52.547 63.345 77.006 659 3HZ LYS 84 3HZ LYS 84 51.005 63.682 76.384 660 H THR 85 H THR 85 51.771 65.585 69.042 661 HA THR 85 HA THR 85 53.989 64.671 67.198 662 HB THR 85 HB THR 85 51.458 66.273 66.786 663 HG1 THR 85 1HG THR 85 51.797 63.600 66.376 664 1HG2 THR 85 1HG2 THR 85 53.773 65.651 65.181 665 2HG2 THR 85 2HG2 THR 85 52.209 65.954 64.395 666 3HG2 THR 85 3HG2 THR 85 52.695 64.235 64.775 667 H LEU 86 H LEU 86 55.580 65.745 66.542 668 HA LEU 86 HA LEU 86 55.599 68.690 66.762 669 1HB LEU 86 2HB LEU 86 56.605 67.721 68.954 670 2HB LEU 86 1HB LEU 86 57.991 67.214 67.871 671 HG LEU 86 HG LEU 86 57.201 70.104 67.520 672 1HD1 LEU 86 1HD1 LEU 86 59.080 69.435 69.787 673 2HD1 LEU 86 2HD1 LEU 86 57.345 69.098 70.158 674 3HD1 LEU 86 3HD1 LEU 86 57.840 70.780 69.653 675 1HD2 LEU 86 1HD2 LEU 86 59.739 68.343 67.717 676 2HD2 LEU 86 2HD2 LEU 86 59.752 70.164 67.469 677 3HD2 LEU 86 3HD2 LEU 86 58.964 69.082 66.277 678 H VAL 87 H VAL 87 56.160 69.356 64.920 679 HA VAL 87 HA VAL 87 58.164 67.860 63.366 680 HB VAL 87 HB VAL 87 55.669 69.566 62.622 681 1HG1 VAL 87 1HG1 VAL 87 56.360 69.732 60.247 682 2HG1 VAL 87 2HG1 VAL 87 57.911 68.989 60.657 683 3HG1 VAL 87 3HG1 VAL 87 57.473 70.628 61.333 684 1HG2 VAL 87 1HG2 VAL 87 56.813 66.753 62.204 685 2HG2 VAL 87 2HG2 VAL 87 55.888 67.502 60.797 686 3HG2 VAL 87 3HG2 VAL 87 55.110 67.289 62.390 687 H THR 88 H THR 88 59.685 69.001 62.078 688 HA THR 88 HA THR 88 60.195 71.859 62.594 689 HB THR 88 HB THR 88 62.540 71.125 63.396 690 HG1 THR 88 1HG THR 88 61.389 68.744 63.040 691 1HG2 THR 88 1HG2 THR 88 60.215 70.128 65.146 692 2HG2 THR 88 2HG2 THR 88 60.562 71.892 65.077 693 3HG2 THR 88 3HG2 THR 88 61.840 70.771 65.718 694 H TRP 89 H TRP 89 60.449 72.403 60.570 695 HA TRP 89 HA TRP 89 61.345 70.966 58.211 696 1HB TRP 89 2HB TRP 89 61.580 73.938 59.111 697 2HB TRP 89 1HB TRP 89 62.330 73.372 57.602 698 HD1 TRP 89 HD1 TRP 89 58.792 73.833 59.275 699 HE1 TRP 89 HE1 TRP 89 57.114 73.627 57.374 700 HE3 TRP 89 HE3 TRP 89 62.020 72.487 55.686 701 HZ2 TRP 89 HZ2 TRP 89 57.213 72.928 54.515 702 HZ3 TRP 89 HZ3 TRP 89 61.253 72.050 53.415 703 HH2 TRP 89 HH2 TRP 89 58.904 72.280 52.891 704 H GLU 90 H GLU 90 63.313 70.628 57.201 705 HA GLU 90 HA GLU 90 65.543 71.167 59.180 706 1HB GLU 90 2HB GLU 90 64.532 68.664 58.354 707 2HB GLU 90 1HB GLU 90 66.094 68.896 57.466 708 1HG GLU 90 2HG GLU 90 66.939 69.570 60.011 709 2HG GLU 90 1HG GLU 90 65.372 68.692 60.452 710 H GLY 91 H GLY 91 64.471 72.596 56.930 711 1HA GLY 91 1HA GLY 91 65.638 74.281 55.676 712 2HA GLY 91 2HA GLY 91 67.107 73.125 55.572 713 H ASN 92 H ASN 92 64.616 71.275 55.266 714 HA ASN 92 HA ASN 92 63.214 71.542 52.919 715 1HB ASN 92 2HB ASN 92 64.597 70.098 51.295 716 2HB ASN 92 1HB ASN 92 65.421 71.747 51.642 717 1HD2 ASN 92 1HD2 ASN 92 66.179 68.786 51.012 718 2HD2 ASN 92 2HD2 ASN 92 67.534 68.549 52.075 719 H THR 93 H THR 93 62.489 70.606 54.948 720 HA THR 93 HA THR 93 61.698 67.842 54.683 721 HB THR 93 HB THR 93 63.178 67.553 57.199 722 HG1 THR 93 1HG THR 93 65.192 67.521 56.256 723 1HG2 THR 93 1HG2 THR 93 64.236 66.251 54.651 724 2HG2 THR 93 2HG2 THR 93 62.459 65.964 54.867 725 3HG2 THR 93 3HG2 THR 93 63.548 65.431 56.148 726 H LEU 94 H LEU 94 61.360 67.138 57.429 727 HA LEU 94 HA LEU 94 60.089 69.089 59.001 728 1HB LEU 94 2HB LEU 94 57.622 68.409 58.477 729 2HB LEU 94 1HB LEU 94 58.445 69.579 57.358 730 HG LEU 94 HG LEU 94 59.101 66.899 56.492 731 1HD1 LEU 94 1HD1 LEU 94 57.292 65.577 56.557 732 2HD1 LEU 94 2HD1 LEU 94 56.167 66.929 56.108 733 3HD1 LEU 94 3HD1 LEU 94 56.617 66.735 57.852 734 1HD2 LEU 94 1HD2 LEU 94 58.726 67.736 54.536 735 2HD2 LEU 94 2HD2 LEU 94 58.316 69.313 55.384 736 3HD2 LEU 94 3HD2 LEU 94 57.004 68.144 54.884 737 H VAL 95 H VAL 95 61.591 67.519 59.795 738 HA VAL 95 HA VAL 95 61.043 64.876 60.287 739 HB VAL 95 HB VAL 95 62.222 67.084 62.087 740 1HG1 VAL 95 1HG1 VAL 95 61.809 65.077 63.499 741 2HG1 VAL 95 2HG1 VAL 95 63.600 65.348 63.292 742 3HG1 VAL 95 3HG1 VAL 95 62.705 64.091 62.354 743 1HG2 VAL 95 1HG2 VAL 95 63.229 65.634 59.660 744 2HG2 VAL 95 2HG2 VAL 95 64.350 65.380 61.112 745 3HG2 VAL 95 3HG2 VAL 95 63.973 67.050 60.528 746 H CYS 96 H CYS 96 59.187 64.208 61.076 747 HA CYS 96 HA CYS 96 57.871 65.503 63.425 748 1HB CYS 96 2HB CYS 96 56.719 64.530 61.122 749 2HB CYS 96 1HB CYS 96 56.761 62.974 61.972 750 HG CYS 96 HG CYS 96 55.856 65.737 63.617 751 H VAL 97 H VAL 97 57.730 64.478 65.313 752 HA VAL 97 HA VAL 97 58.728 61.711 65.611 753 HB VAL 97 HB VAL 97 59.746 63.489 67.748 754 1HG1 VAL 97 1HG1 VAL 97 61.933 62.517 66.922 755 2HG1 VAL 97 2HG1 VAL 97 61.026 61.500 65.697 756 3HG1 VAL 97 3HG1 VAL 97 60.716 61.277 67.452 757 1HG2 VAL 97 1HG2 VAL 97 59.880 65.229 66.208 758 2HG2 VAL 97 2HG2 VAL 97 60.512 64.149 64.843 759 3HG2 VAL 97 3HG2 VAL 97 61.526 64.533 66.316 760 H GLN 98 H GLN 98 57.020 60.905 66.268 761 HA GLN 98 HA GLN 98 55.035 62.027 68.161 762 1HB GLN 98 2HB GLN 98 55.612 59.303 66.950 763 2HB GLN 98 1HB GLN 98 54.356 59.446 68.298 764 1HG GLN 98 2HG GLN 98 52.829 60.504 67.051 765 2HG GLN 98 1HG GLN 98 54.069 61.383 65.994 766 1HE2 GLN 98 2HE2 GLN 98 51.611 59.517 65.737 767 2HE2 GLN 98 1HE2 GLN 98 52.155 58.447 64.399 768 H LYS 99 H LYS 99 54.396 61.153 70.046 769 HA LYS 99 HA LYS 99 56.489 59.719 71.652 770 1HB LYS 99 2HB LYS 99 55.405 62.349 72.723 771 2HB LYS 99 1HB LYS 99 56.653 61.297 73.424 772 1HG LYS 99 2HG LYS 99 57.057 62.568 70.641 773 2HG LYS 99 1HG LYS 99 57.415 63.532 72.083 774 1HD LYS 99 2HD LYS 99 59.042 61.746 72.851 775 2HD LYS 99 1HD LYS 99 58.615 60.753 71.397 776 1HE LYS 99 2HE LYS 99 60.010 61.957 70.093 777 2HE LYS 99 1HE LYS 99 59.116 63.479 70.605 778 1HZ LYS 99 1HZ LYS 99 61.563 62.365 71.946 779 2HZ LYS 99 2HZ LYS 99 60.503 63.484 72.631 780 3HZ LYS 99 3HZ LYS 99 61.317 63.859 71.257 781 H GLY 100 H GLY 100 55.581 59.191 73.747 782 1HA GLY 100 1HA GLY 100 53.622 58.783 75.244 783 2HA GLY 100 2HA GLY 100 52.562 59.484 74.007 784 H GLU 101 H GLU 101 54.819 57.017 74.708 785 HA GLU 101 HA GLU 101 54.652 54.721 74.916 786 1HB GLU 101 2HB GLU 101 52.166 54.830 72.994 787 2HB GLU 101 1HB GLU 101 52.801 53.401 73.839 788 1HG GLU 101 2HG GLU 101 52.241 54.090 75.932 789 2HG GLU 101 1HG GLU 101 52.091 55.892 75.495 790 H LYS 102 H LYS 102 54.772 56.687 72.134 791 HA LYS 102 HA LYS 102 56.412 54.505 70.747 792 1HB LYS 102 2HB LYS 102 55.864 56.018 68.649 793 2HB LYS 102 1HB LYS 102 54.620 54.840 69.251 794 1HG LYS 102 2HG LYS 102 54.588 57.666 70.448 795 2HG LYS 102 1HG LYS 102 54.073 57.434 68.750 796 1HD LYS 102 2HD LYS 102 53.064 55.698 71.094 797 2HD LYS 102 1HD LYS 102 52.210 57.168 70.533 798 1HE LYS 102 2HE LYS 102 52.833 55.181 68.323 799 2HE LYS 102 1HE LYS 102 51.714 54.614 69.605 800 1HZ LYS 102 1HZ LYS 102 50.763 55.850 67.607 801 2HZ LYS 102 2HZ LYS 102 51.467 57.211 68.226 802 3HZ LYS 102 3HZ LYS 102 50.244 56.459 69.067 803 H GLU 103 H GLU 103 56.755 56.892 72.615 804 HA GLU 103 HA GLU 103 58.204 58.942 71.918 805 1HB GLU 103 2HB GLU 103 59.914 58.203 73.826 806 2HB GLU 103 1HB GLU 103 58.148 58.358 74.269 807 1HG GLU 103 2HG GLU 103 58.027 55.793 73.692 808 2HG GLU 103 1HG GLU 103 59.881 55.866 73.849 809 H ASN 104 H ASN 104 58.962 58.846 70.079 810 HA ASN 104 HA ASN 104 60.987 59.415 69.064 811 1HB ASN 104 2HB ASN 104 62.268 58.102 70.798 812 2HB ASN 104 1HB ASN 104 61.970 56.556 69.831 813 1HD2 ASN 104 2HD2 ASN 104 63.149 59.907 69.600 814 2HD2 ASN 104 1HD2 ASN 104 64.559 59.519 68.414 815 H ARG 105 H ARG 105 58.657 58.873 68.027 816 HA ARG 105 HA ARG 105 59.208 56.821 65.915 817 1HB ARG 105 2HB ARG 105 57.363 55.968 67.364 818 2HB ARG 105 1HB ARG 105 56.515 57.513 67.184 819 1HG ARG 105 2HG ARG 105 56.611 57.040 64.558 820 2HG ARG 105 1HG ARG 105 57.048 55.353 65.110 821 1HD ARG 105 2HD ARG 105 54.984 54.848 65.864 822 2HD ARG 105 1HD ARG 105 54.770 56.545 66.552 823 HE ARG 105 HE ARG 105 54.737 56.666 63.743 824 1HH1 ARG 105 2HH2 ARG 105 52.655 55.432 66.441 825 2HH1 ARG 105 1HH2 ARG 105 51.113 55.598 65.650 826 1HH2 ARG 105 1HH1 ARG 105 52.679 56.876 62.676 827 2HH2 ARG 105 2HH1 ARG 105 51.158 56.438 63.425 828 H GLY 106 H GLY 106 60.080 58.022 64.627 829 1HA GLY 106 1HA GLY 106 58.329 60.191 63.388 830 2HA GLY 106 2HA GLY 106 60.075 60.455 63.705 831 H TRP 107 H TRP 107 58.736 60.813 61.459 832 HA TRP 107 HA TRP 107 60.111 58.943 59.531 833 1HB TRP 107 2HB TRP 107 58.186 60.244 57.950 834 2HB TRP 107 1HB TRP 107 58.155 58.543 58.573 835 HD1 TRP 107 HD1 TRP 107 56.904 58.252 61.150 836 HE1 TRP 107 HE1 TRP 107 55.023 59.503 62.201 837 HE3 TRP 107 HE3 TRP 107 57.129 62.227 58.137 838 HZ2 TRP 107 HZ2 TRP 107 53.794 61.962 61.737 839 HZ3 TRP 107 HZ3 TRP 107 55.486 64.078 58.509 840 HH2 TRP 107 HH2 TRP 107 53.862 63.902 60.305 841 H LYS 108 H LYS 108 61.511 59.530 58.238 842 HA LYS 108 HA LYS 108 62.011 62.458 57.867 843 1HB LYS 108 2HB LYS 108 63.915 60.005 57.706 844 2HB LYS 108 1HB LYS 108 64.426 61.713 57.328 845 1HG LYS 108 2HG LYS 108 63.292 62.229 59.710 846 2HG LYS 108 1HG LYS 108 63.776 60.488 59.965 847 1HD LYS 108 2HD LYS 108 66.143 60.952 59.610 848 2HD LYS 108 1HD LYS 108 65.796 62.437 58.686 849 1HE LYS 108 2HE LYS 108 65.824 63.712 60.573 850 2HE LYS 108 1HE LYS 108 64.789 62.493 61.496 851 1HZ LYS 108 1HZ LYS 108 67.622 62.014 60.889 852 2HZ LYS 108 2HZ LYS 108 66.704 61.249 61.994 853 3HZ LYS 108 3HZ LYS 108 67.221 62.869 62.254 854 H GLN 109 H GLN 109 60.396 62.470 56.432 855 HA GLN 109 HA GLN 109 61.005 61.214 53.739 856 1HB GLN 109 2HB GLN 109 58.682 61.541 54.956 857 2HB GLN 109 1HB GLN 109 58.692 63.184 54.148 858 1HG GLN 109 2HG GLN 109 59.274 61.922 51.978 859 2HG GLN 109 1HG GLN 109 58.797 60.371 52.910 860 1HE2 GLN 109 2HE2 GLN 109 56.986 59.903 53.366 861 2HE2 GLN 109 1HE2 GLN 109 55.446 60.863 52.863 862 H TRP 110 H TRP 110 62.217 62.650 52.192 863 HA TRP 110 HA TRP 110 61.954 65.615 52.887 864 1HB TRP 110 2HB TRP 110 64.321 65.847 52.646 865 2HB TRP 110 1HB TRP 110 63.976 64.374 53.711 866 HD1 TRP 110 HD1 TRP 110 64.954 65.300 50.148 867 HE1 TRP 110 HE1 TRP 110 66.273 63.232 49.171 868 HE3 TRP 110 HE3 TRP 110 64.234 62.287 54.006 869 HZ2 TRP 110 HZ2 TRP 110 66.818 60.634 50.204 870 HZ3 TRP 110 HZ3 TRP 110 65.102 60.008 54.102 871 HH2 TRP 110 HH2 TRP 110 66.343 59.226 52.251 872 H VAL 111 H VAL 111 60.912 63.635 50.678 873 HA VAL 111 HA VAL 111 60.233 63.778 48.414 874 HB VAL 111 HB VAL 111 60.616 66.760 48.708 875 1HG1 VAL 111 1HG1 VAL 111 58.589 66.936 47.460 876 2HG1 VAL 111 2HG1 VAL 111 58.143 65.167 47.802 877 3HG1 VAL 111 3HG1 VAL 111 59.507 65.603 46.742 878 1HG2 VAL 111 1HG2 VAL 111 58.279 66.575 50.106 879 2HG2 VAL 111 2HG2 VAL 111 59.908 66.577 50.885 880 3HG2 VAL 111 3HG2 VAL 111 59.098 64.969 50.545 881 H GLU 112 H GLU 112 61.547 63.028 47.132 882 HA GLU 112 HA GLU 112 63.748 64.635 45.988 883 1HB GLU 112 2HB GLU 112 62.997 61.683 45.799 884 2HB GLU 112 1HB GLU 112 64.434 62.409 44.955 885 1HG GLU 112 2HG GLU 112 65.308 63.097 47.167 886 2HG GLU 112 1HG GLU 112 63.740 62.423 47.999 887 H GLY 113 H GLY 113 60.585 63.237 45.363 888 1HA GLY 113 1HA GLY 113 59.123 63.819 43.618 889 2HA GLY 113 2HA GLY 113 60.461 64.570 42.640 890 H ASP 114 H ASP 114 58.466 61.917 43.234 891 HA ASP 114 HA ASP 114 57.892 60.073 41.968 892 1HB ASP 114 2HB ASP 114 59.353 61.760 40.153 893 2HB ASP 114 1HB ASP 114 59.975 60.008 39.927 894 H LYS 115 H LYS 115 60.151 60.201 44.050 895 HA LYS 115 HA LYS 115 60.592 57.595 44.562 896 1HB LYS 115 2HB LYS 115 62.625 58.464 42.418 897 2HB LYS 115 1HB LYS 115 63.189 57.565 43.851 898 1HG LYS 115 2HG LYS 115 60.687 56.293 43.045 899 2HG LYS 115 1HG LYS 115 61.799 56.443 41.584 900 1HD LYS 115 2HD LYS 115 62.638 54.492 42.568 901 2HD LYS 115 1HD LYS 115 63.633 55.702 43.452 902 1HE LYS 115 2HE LYS 115 62.039 55.709 45.346 903 2HE LYS 115 1HE LYS 115 60.891 54.672 44.386 904 1HZ LYS 115 1HZ LYS 115 63.655 53.940 45.332 905 2HZ LYS 115 2HZ LYS 115 62.646 52.934 44.436 906 3HZ LYS 115 3HZ LYS 115 62.235 53.335 45.989 907 H LEU 116 H LEU 116 60.111 58.732 46.393 908 HA LEU 116 HA LEU 116 62.585 60.217 47.366 909 1HB LEU 116 2HB LEU 116 61.152 61.170 49.090 910 2HB LEU 116 1HB LEU 116 60.397 61.542 47.499 911 HG LEU 116 HG LEU 116 59.439 58.959 48.481 912 1HD1 LEU 116 1HD1 LEU 116 58.348 61.270 50.248 913 2HD1 LEU 116 2HD1 LEU 116 59.978 60.593 50.597 914 3HD1 LEU 116 3HD1 LEU 116 58.484 59.540 50.611 915 1HD2 LEU 116 1HD2 LEU 116 58.466 60.572 46.670 916 2HD2 LEU 116 2HD2 LEU 116 57.673 61.406 48.134 917 3HD2 LEU 116 3HD2 LEU 116 57.353 59.684 47.717 918 H TYR 117 H TYR 117 62.917 60.139 49.753 919 HA TYR 117 HA TYR 117 62.407 57.312 50.537 920 1HB TYR 117 2HB TYR 117 65.004 58.981 50.365 921 2HB TYR 117 1HB TYR 117 64.854 57.873 51.772 922 HD1 TYR 117 HD1 TYR 117 66.927 57.796 49.278 923 HD2 TYR 117 HD2 TYR 117 63.203 55.645 49.946 924 HE1 TYR 117 HE1 TYR 117 67.635 56.058 47.799 925 HE2 TYR 117 HE2 TYR 117 63.998 53.926 48.427 926 HH TYR 117 HH TYR 117 67.226 54.107 46.808 927 H LEU 118 H LEU 118 62.023 56.744 52.417 928 HA LEU 118 HA LEU 118 61.568 59.004 54.392 929 1HB LEU 118 2HB LEU 118 59.482 58.469 53.320 930 2HB LEU 118 1HB LEU 118 59.810 56.696 53.375 931 HG LEU 118 HG LEU 118 59.719 57.050 56.069 932 1HD1 LEU 118 1HD1 LEU 118 58.771 59.596 54.781 933 2HD1 LEU 118 2HD1 LEU 118 59.827 59.379 56.257 934 3HD1 LEU 118 3HD1 LEU 118 57.988 59.109 56.297 935 1HD2 LEU 118 1HD2 LEU 118 57.798 56.212 54.216 936 2HD2 LEU 118 2HD2 LEU 118 57.107 57.820 54.748 937 3HD2 LEU 118 3HD2 LEU 118 57.466 56.463 55.978 938 H GLU 119 H GLU 119 62.493 58.657 56.301 939 HA GLU 119 HA GLU 119 63.494 55.851 56.846 940 1HB GLU 119 2HB GLU 119 64.755 58.350 58.174 941 2HB GLU 119 1HB GLU 119 65.294 56.642 57.965 942 1HG GLU 119 2HG GLU 119 64.917 57.116 55.356 943 2HG GLU 119 1HG GLU 119 65.200 58.817 55.895 944 H LEU 120 H LEU 120 62.535 54.810 58.291 945 HA LEU 120 HA LEU 120 60.789 56.363 60.205 946 1HB LEU 120 2HB LEU 120 60.623 53.755 58.952 947 2HB LEU 120 1HB LEU 120 59.986 53.757 60.652 948 HG LEU 120 HG LEU 120 58.363 54.395 58.676 949 1HD1 LEU 120 1HD1 LEU 120 57.178 56.177 59.906 950 2HD1 LEU 120 2HD1 LEU 120 58.706 56.632 60.830 951 3HD1 LEU 120 3HD1 LEU 120 57.876 55.053 61.146 952 1HD2 LEU 120 1HD2 LEU 120 58.430 56.529 57.663 953 2HD2 LEU 120 2HD2 LEU 120 60.160 56.005 57.669 954 3HD2 LEU 120 3HD2 LEU 120 59.534 57.186 58.925 955 H THR 121 H THR 121 61.153 56.347 62.191 956 HA THR 121 HA THR 121 63.496 54.742 63.332 957 HB THR 121 HB THR 121 63.446 56.673 65.090 958 HG1 THR 121 1HG THR 121 62.393 58.441 64.486 959 1HG2 THR 121 1HG2 THR 121 64.092 57.794 62.274 960 2HG2 THR 121 2HG2 THR 121 64.982 56.357 62.869 961 3HG2 THR 121 3HG2 THR 121 65.136 57.938 63.775 962 H CYS 122 H CYS 122 60.157 54.885 63.358 963 HA CYS 122 HA CYS 122 59.037 54.859 65.820 964 1HB CYS 122 2HB CYS 122 57.924 52.610 65.093 965 2HB CYS 122 1HB CYS 122 57.746 53.949 63.936 966 HG CYS 122 HG CYS 122 60.398 51.927 63.704 967 H GLY 123 H GLY 123 60.371 54.692 67.382 968 1HA GLY 123 1HA GLY 123 60.499 53.062 69.386 969 2HA GLY 123 2HA GLY 123 61.023 51.861 68.180 970 H ASP 124 H ASP 124 62.870 51.374 69.036 971 HA ASP 124 HA ASP 124 65.045 53.444 69.536 972 1HB ASP 124 2HB ASP 124 64.755 50.422 70.106 973 2HB ASP 124 1HB ASP 124 66.220 51.461 70.518 974 H GLN 125 H GLN 125 63.747 51.425 67.165 975 HA GLN 125 HA GLN 125 66.540 51.203 65.992 976 1HB GLN 125 2HB GLN 125 65.246 49.305 64.614 977 2HB GLN 125 1HB GLN 125 65.891 48.921 66.267 978 1HG GLN 125 2HG GLN 125 63.781 49.054 67.291 979 2HG GLN 125 1HG GLN 125 63.064 50.061 65.937 980 1HE2 GLN 125 1HE2 GLN 125 63.347 46.986 67.195 981 2HE2 GLN 125 2HE2 GLN 125 62.953 46.059 65.625 982 H VAL 126 H VAL 126 66.341 50.954 63.703 983 HA VAL 126 HA VAL 126 64.576 53.058 62.396 984 HB VAL 126 HB VAL 126 67.547 52.266 61.945 985 1HG1 VAL 126 1HG1 VAL 126 66.622 53.043 59.779 986 2HG1 VAL 126 2HG1 VAL 126 67.217 54.591 60.562 987 3HG1 VAL 126 3HG1 VAL 126 65.440 54.130 60.537 988 1HG2 VAL 126 1HG2 VAL 126 67.568 54.892 62.484 989 2HG2 VAL 126 2HG2 VAL 126 67.733 53.611 63.733 990 3HG2 VAL 126 3HG2 VAL 126 66.102 54.453 63.462 991 H CYS 127 H CYS 127 63.408 52.530 60.649 992 HA CYS 127 HA CYS 127 64.245 50.109 59.008 993 1HB CYS 127 2HB CYS 127 61.387 51.174 58.836 994 2HB CYS 127 1HB CYS 127 61.911 49.498 58.904 995 HG CYS 127 HG CYS 127 60.526 51.133 60.990 996 H ARG 128 H ARG 128 64.260 50.459 56.732 997 HA ARG 128 HA ARG 128 64.294 53.398 56.190 998 1HB ARG 128 2HB ARG 128 66.174 52.132 55.362 999 2HB ARG 128 1HB ARG 128 65.083 50.911 54.559 1000 1HG ARG 128 2HG ARG 128 64.980 52.083 52.676 1001 2HG ARG 128 1HG ARG 128 64.312 53.541 53.498 1002 1HD ARG 128 2HD ARG 128 66.287 54.138 52.330 1003 2HD ARG 128 1HD ARG 128 66.670 54.164 54.144 1004 HE ARG 128 HE ARG 128 67.416 51.756 52.636 1005 1HH1 ARG 128 1HH2 ARG 128 68.472 54.764 54.171 1006 2HH1 ARG 128 2HH2 ARG 128 70.163 54.306 54.275 1007 1HH2 ARG 128 2HH1 ARG 128 69.765 51.144 52.812 1008 2HH2 ARG 128 1HH1 ARG 128 70.843 52.331 53.532 1009 H GLN 129 H GLN 129 62.211 54.077 56.078 1010 HA GLN 129 HA GLN 129 60.326 52.432 54.616 1011 1HB GLN 129 2HB GLN 129 60.364 54.991 56.052 1012 2HB GLN 129 1HB GLN 129 59.466 55.203 54.479 1013 1HG GLN 129 2HG GLN 129 57.893 54.489 56.219 1014 2HG GLN 129 1HG GLN 129 58.074 53.290 54.821 1015 1HE2 GLN 129 2HE2 GLN 129 57.036 52.168 57.104 1016 2HE2 GLN 129 1HE2 GLN 129 58.293 51.333 58.056 1017 H VAL 130 H VAL 130 59.071 53.193 52.525 1018 HA VAL 130 HA VAL 130 60.872 54.701 50.743 1019 HB VAL 130 HB VAL 130 59.778 51.918 49.859 1020 1HG1 VAL 130 1HG1 VAL 130 60.465 53.605 48.026 1021 2HG1 VAL 130 2HG1 VAL 130 61.518 52.160 48.084 1022 3HG1 VAL 130 3HG1 VAL 130 62.062 53.730 48.861 1023 1HG2 VAL 130 1HG2 VAL 130 62.366 51.392 49.799 1024 2HG2 VAL 130 2HG2 VAL 130 61.315 50.958 51.224 1025 3HG2 VAL 130 3HG2 VAL 130 62.362 52.369 51.376 1026 H PHE 131 H PHE 131 59.937 55.376 49.130 1027 HA PHE 131 HA PHE 131 57.020 55.156 48.483 1028 1HB PHE 131 2HB PHE 131 58.574 57.459 49.824 1029 2HB PHE 131 1HB PHE 131 57.260 57.851 48.612 1030 HD1 PHE 131 HD1 PHE 131 57.809 55.877 51.784 1031 HD2 PHE 131 HD2 PHE 131 55.114 58.003 49.223 1032 HE1 PHE 131 HE1 PHE 131 55.941 55.647 53.561 1033 HE2 PHE 131 HE2 PHE 131 53.374 57.778 50.894 1034 HZ PHE 131 HZ PHE 131 53.818 56.578 53.084 1035 H LYS 132 H LYS 132 56.536 56.950 46.930 1036 HA LYS 132 HA LYS 132 58.659 57.993 45.241 1037 1HB LYS 132 2HB LYS 132 56.765 56.448 43.534 1038 2HB LYS 132 1HB LYS 132 58.555 56.476 43.470 1039 1HG LYS 132 2HG LYS 132 58.709 54.610 44.897 1040 2HG LYS 132 1HG LYS 132 57.054 54.785 45.658 1041 1HD LYS 132 2HD LYS 132 57.198 54.381 42.668 1042 2HD LYS 132 1HD LYS 132 57.321 52.937 43.814 1043 1HE LYS 132 2HE LYS 132 55.261 53.771 44.982 1044 2HE LYS 132 1HE LYS 132 55.032 54.981 43.662 1045 1HZ LYS 132 1HZ LYS 132 53.822 52.896 43.262 1046 2HZ LYS 132 2HZ LYS 132 55.281 52.060 43.346 1047 3HZ LYS 132 3HZ LYS 132 54.968 53.108 42.073 1048 H LYS 133 H LYS 133 57.090 58.387 43.059 1049 HA LYS 133 HA LYS 133 55.024 59.331 42.177 1050 1HB LYS 133 2HB LYS 133 54.102 58.056 44.419 1051 2HB LYS 133 1HB LYS 133 53.815 59.840 44.733 1052 1HG LYS 133 2HG LYS 133 53.089 59.565 42.029 1053 2HG LYS 133 1HG LYS 133 52.538 57.951 42.780 1054 1HD LYS 133 2HD LYS 133 50.949 59.063 44.219 1055 2HD LYS 133 1HD LYS 133 51.621 60.706 43.753 1056 1HE LYS 133 2HE LYS 133 49.832 60.477 42.413 1057 2HE LYS 133 1HE LYS 133 51.246 60.000 41.315 1058 1HZ LYS 133 1HZ LYS 133 49.375 58.435 41.114 1059 2HZ LYS 133 2HZ LYS 133 49.308 58.152 42.726 1060 3HZ LYS 133 3HZ LYS 133 50.651 57.662 41.801 1061 H LYS 134 H LYS 134 53.408 61.282 43.508 1062 HA LYS 134 HA LYS 134 54.942 63.410 44.551 1063 1HB LYS 134 2HB LYS 134 55.231 64.843 42.480 1064 2HB LYS 134 1HB LYS 134 55.958 63.234 42.075 1065 1HG LYS 134 2HG LYS 134 53.163 64.228 41.344 1066 2HG LYS 134 1HG LYS 134 54.555 64.148 40.184 1067 1HD LYS 134 2HD LYS 134 54.502 61.561 41.235 1068 2HD LYS 134 1HD LYS 134 52.749 62.013 41.294 1069 1HE LYS 134 2HE LYS 134 53.561 63.130 38.832 1070 2HE LYS 134 1HE LYS 134 54.395 61.480 38.922 1071 1HZ LYS 134 1HZ LYS 134 51.877 61.048 39.770 1072 2HZ LYS 134 2HZ LYS 134 52.375 60.778 38.183 1073 3HZ LYS 134 3HZ LYS 134 51.594 62.165 38.554 1074 1H2 RTL 135 1H2 RET 135 46.595 51.448 58.736 1075 2H2 RTL 135 2H2 RET 135 46.996 52.685 59.782 1076 1H3 RTL 135 1H3 RET 135 47.542 51.244 61.466 1077 2H3 RTL 135 2H3 RET 135 46.803 50.029 60.577 1078 1H4 RTL 135 1H4 RET 135 48.903 49.239 59.585 1079 2H4 RTL 135 2H4 RET 135 49.133 49.366 61.280 1080 H7 RTL 135 H7 RET 135 51.862 52.307 58.492 1081 H8 RTL 135 H8 RET 135 49.951 54.525 59.562 1082 H10 RTL 135 H10 RET 135 50.610 56.143 57.408 1083 H11 RTL 135 H11 RET 135 53.458 56.653 57.175 1084 H12 RTL 135 H12 RET 135 51.535 58.868 58.213 1085 H14 RTL 135 H14 RET 135 52.274 60.428 56.122 1086 1H15 RTL 135 1H15 RET 135 54.684 61.791 57.231 1087 2H15 RTL 135 2H15 RET 135 53.759 62.238 55.741 1088 HO1 RTL 135 H51 RET 135 55.183 59.969 55.482 1089 1H16 RTL 135 1H16 RET 135 49.069 50.087 57.651 1090 2H16 RTL 135 2H16 RET 135 49.230 51.441 56.496 1091 3H16 RTL 135 3H16 RET 135 47.637 50.849 57.007 1092 1H17 RTL 135 1H17 RET 135 47.612 53.200 57.150 1093 2H17 RTL 135 2H17 RET 135 49.371 53.336 56.963 1094 3H17 RTL 135 3H17 RET 135 48.494 54.124 58.318 1095 1H18 RTL 135 1H18 RET 135 51.538 49.459 60.888 1096 2H18 RTL 135 2H18 RET 135 50.970 50.648 62.065 1097 3H18 RTL 135 3H18 RET 135 52.093 51.147 60.800 1098 1H19 RTL 135 1H19 RET 135 53.153 53.979 60.017 1099 2H19 RTL 135 2H19 RET 135 53.293 55.721 60.257 1100 3H19 RTL 135 3H19 RET 135 53.947 54.891 58.766 1101 1H20 RTL 135 1H20 RET 135 55.485 59.843 57.930 1102 2H20 RTL 135 2H20 RET 135 55.038 58.162 58.097 1103 3H20 RTL 135 3H20 RET 135 54.473 59.379 59.332 Start of MODEL 19 1 1H MET 1 1H MET 1 62.072 78.338 45.764 2 2H MET 1 2H MET 1 62.175 78.184 44.110 3 3H MET 1 3H MET 1 63.263 77.394 45.117 4 HA MET 1 HA MET 1 60.796 76.447 45.939 5 1HB MET 1 2HB MET 1 60.412 77.243 43.320 6 2HB MET 1 1HB MET 1 61.250 75.701 43.005 7 1HG MET 1 2HG MET 1 59.123 75.554 45.154 8 2HG MET 1 1HG MET 1 58.493 75.918 43.558 9 1HE MET 1 1HE MET 1 58.342 72.747 41.860 10 2HE MET 1 2HE MET 1 57.915 74.472 42.031 11 3HE MET 1 3HE MET 1 57.202 73.391 43.170 12 H THR 2 H THR 2 62.387 75.744 47.173 13 HA THR 2 HA THR 2 64.030 73.487 45.944 14 HB THR 2 HB THR 2 64.206 75.125 48.591 15 HG1 THR 2 1HG THR 2 65.381 75.539 46.538 16 1HG2 THR 2 1HG2 THR 2 66.286 73.118 48.733 17 2HG2 THR 2 2HG2 THR 2 65.079 72.202 47.847 18 3HG2 THR 2 3HG2 THR 2 64.695 72.807 49.490 19 H LYS 3 H LYS 3 62.219 74.461 48.813 20 HA LYS 3 HA LYS 3 61.455 71.514 49.132 21 1HB LYS 3 2HB LYS 3 60.758 71.919 51.342 22 2HB LYS 3 1HB LYS 3 62.371 72.705 51.178 23 1HG LYS 3 2HG LYS 3 61.181 74.926 50.823 24 2HG LYS 3 1HG LYS 3 59.597 74.061 50.863 25 1HD LYS 3 2HD LYS 3 59.726 73.855 53.249 26 2HD LYS 3 1HD LYS 3 61.472 73.483 53.143 27 1HE LYS 3 2HE LYS 3 62.099 75.690 53.209 28 2HE LYS 3 1HE LYS 3 60.445 76.290 52.606 29 1HZ LYS 3 1HZ LYS 3 61.218 75.351 55.369 30 2HZ LYS 3 2HZ LYS 3 59.648 75.354 54.820 31 3HZ LYS 3 3HZ LYS 3 60.522 76.773 54.923 32 H ASP 4 H ASP 4 59.314 70.834 49.855 33 HA ASP 4 HA ASP 4 57.019 72.461 49.419 34 1HB ASP 4 2HB ASP 4 58.225 71.295 46.902 35 2HB ASP 4 1HB ASP 4 56.501 70.760 47.252 36 H GLN 5 H GLN 5 55.403 71.146 50.527 37 HA GLN 5 HA GLN 5 56.155 68.300 51.018 38 1HB GLN 5 2HB GLN 5 54.073 70.406 51.953 39 2HB GLN 5 1HB GLN 5 54.056 68.691 52.570 40 1HG GLN 5 2HG GLN 5 56.766 69.730 52.840 41 2HG GLN 5 1HG GLN 5 55.515 70.896 53.617 42 1HE2 GLN 5 2HE2 GLN 5 55.659 70.573 55.561 43 2HE2 GLN 5 1HE2 GLN 5 55.415 69.024 56.433 44 H ASN 6 H ASN 6 53.282 70.147 50.238 45 HA ASN 6 HA ASN 6 51.451 68.452 49.316 46 1HB ASN 6 2HB ASN 6 52.576 70.553 47.280 47 2HB ASN 6 1HB ASN 6 50.837 69.935 47.389 48 1HD2 ASN 6 1HD2 ASN 6 53.266 71.788 49.049 49 2HD2 ASN 6 2HD2 ASN 6 51.976 72.773 50.032 50 H GLY 7 H GLY 7 51.673 66.494 48.664 51 1HA GLY 7 1HA GLY 7 52.499 66.162 45.757 52 2HA GLY 7 2HA GLY 7 53.484 65.354 47.024 53 H THR 8 H THR 8 53.058 63.451 46.600 54 HA THR 8 HA THR 8 50.752 62.038 47.551 55 HB THR 8 HB THR 8 51.203 61.911 44.459 56 HG1 THR 8 1HG THR 8 49.910 63.593 44.458 57 1HG2 THR 8 1HG2 THR 8 50.157 59.855 45.301 58 2HG2 THR 8 2HG2 THR 8 48.633 60.888 45.174 59 3HG2 THR 8 3HG2 THR 8 49.472 60.698 46.751 60 H TRP 9 H TRP 9 51.227 59.766 47.441 61 HA TRP 9 HA TRP 9 53.680 58.987 46.158 62 1HB TRP 9 2HB TRP 9 54.849 58.604 48.666 63 2HB TRP 9 1HB TRP 9 55.368 59.744 47.415 64 HD1 TRP 9 HD1 TRP 9 52.314 59.760 49.803 65 HE1 TRP 9 HE1 TRP 9 52.132 62.118 50.900 66 HE3 TRP 9 HE3 TRP 9 56.215 61.590 47.687 67 HZ2 TRP 9 HZ2 TRP 9 53.698 64.487 50.678 68 HZ3 TRP 9 HZ3 TRP 9 56.998 63.921 48.031 69 HH2 TRP 9 HH2 TRP 9 55.756 65.372 49.510 70 H GLU 10 H GLU 10 52.440 57.196 45.561 71 HA GLU 10 HA GLU 10 51.242 55.335 47.369 72 1HB GLU 10 2HB GLU 10 52.462 55.087 44.554 73 2HB GLU 10 1HB GLU 10 51.763 53.634 45.424 74 1HG GLU 10 2HG GLU 10 49.803 55.598 45.814 75 2HG GLU 10 1HG GLU 10 50.533 56.045 44.162 76 H MET 11 H MET 11 52.225 54.812 48.990 77 HA MET 11 HA MET 11 55.080 54.237 49.440 78 1HB MET 11 2HB MET 11 52.391 53.800 50.729 79 2HB MET 11 1HB MET 11 53.492 52.331 50.906 80 1HG MET 11 2HG MET 11 54.956 54.844 51.547 81 2HG MET 11 1HG MET 11 53.405 54.746 52.418 82 1HE MET 11 1HE MET 11 54.184 52.999 55.392 83 2HE MET 11 2HE MET 11 53.792 54.570 54.541 84 3HE MET 11 3HE MET 11 55.407 54.236 55.038 85 H GLU 12 H GLU 12 56.314 52.651 49.211 86 HA GLU 12 HA GLU 12 55.302 50.380 47.542 87 1HB GLU 12 2HB GLU 12 58.099 51.670 47.680 88 2HB GLU 12 1HB GLU 12 57.828 50.034 47.007 89 1HG GLU 12 2HG GLU 12 55.961 51.061 45.501 90 2HG GLU 12 1HG GLU 12 56.734 52.703 46.055 91 H SER 13 H SER 13 57.644 51.354 50.097 92 HA SER 13 HA SER 13 56.875 48.800 51.512 93 1HB SER 13 2HB SER 13 59.666 49.441 50.312 94 2HB SER 13 1HB SER 13 59.506 48.452 51.879 95 HG SER 13 HG SER 13 59.259 46.988 50.430 96 H ASN 14 H ASN 14 58.060 48.437 53.329 97 HA ASN 14 HA ASN 14 59.012 50.646 55.037 98 1HB ASN 14 2HB ASN 14 57.256 48.895 56.659 99 2HB ASN 14 1HB ASN 14 56.903 50.622 56.212 100 1HD2 ASN 14 1HD2 ASN 14 55.402 51.026 55.023 101 2HD2 ASN 14 2HD2 ASN 14 54.497 49.831 53.906 102 H GLU 15 H GLU 15 60.973 49.874 55.009 103 HA GLU 15 HA GLU 15 61.412 47.017 55.194 104 1HB GLU 15 2HB GLU 15 63.252 49.233 56.402 105 2HB GLU 15 1HB GLU 15 63.790 47.601 55.944 106 1HG GLU 15 2HG GLU 15 62.473 48.606 53.590 107 2HG GLU 15 1HG GLU 15 63.743 49.845 54.289 108 H ASN 16 H ASN 16 62.655 46.098 57.117 109 HA ASN 16 HA ASN 16 62.764 45.354 59.203 110 1HB ASN 16 2HB ASN 16 61.519 48.081 59.945 111 2HB ASN 16 1HB ASN 16 61.805 46.746 61.187 112 1HD2 ASN 16 2HD2 ASN 16 63.443 47.127 62.193 113 2HD2 ASN 16 1HD2 ASN 16 65.072 47.813 61.511 114 H PHE 17 H PHE 17 59.733 47.091 58.952 115 HA PHE 17 HA PHE 17 57.508 46.446 58.786 116 1HB PHE 17 2HB PHE 17 58.525 43.525 58.879 117 2HB PHE 17 1HB PHE 17 56.892 44.163 58.418 118 HD1 PHE 17 HD1 PHE 17 56.535 45.417 56.376 119 HD2 PHE 17 HD2 PHE 17 60.353 43.806 57.254 120 HE1 PHE 17 HE1 PHE 17 57.219 45.764 54.067 121 HE2 PHE 17 HE2 PHE 17 61.090 44.158 54.843 122 HZ PHE 17 HZ PHE 17 59.526 45.145 53.249 123 H GLU 18 H GLU 18 59.364 44.320 60.982 124 HA GLU 18 HA GLU 18 57.287 43.886 62.896 125 1HB GLU 18 2HB GLU 18 60.356 44.172 63.187 126 2HB GLU 18 1HB GLU 18 59.242 43.299 64.336 127 1HG GLU 18 2HG GLU 18 58.597 41.860 62.296 128 2HG GLU 18 1HG GLU 18 60.178 42.502 61.489 129 H GLY 19 H GLY 19 60.053 46.113 63.101 130 1HA GLY 19 1HA GLY 19 59.041 47.140 65.692 131 2HA GLY 19 2HA GLY 19 60.348 47.919 64.766 132 H TYR 20 H TYR 20 58.357 47.876 62.364 133 HA TYR 20 HA TYR 20 57.392 50.612 62.707 134 1HB TYR 20 2HB TYR 20 57.910 49.354 60.516 135 2HB TYR 20 1HB TYR 20 56.515 48.263 60.858 136 HD1 TYR 20 HD1 TYR 20 56.208 51.950 61.518 137 HD2 TYR 20 HD2 TYR 20 55.563 48.654 58.815 138 HE1 TYR 20 HE1 TYR 20 54.668 53.334 60.180 139 HE2 TYR 20 HE2 TYR 20 54.026 50.000 57.480 140 HH TYR 20 HH TYR 20 53.289 52.151 57.087 141 H MET 21 H MET 21 56.003 47.425 62.716 142 HA MET 21 HA MET 21 53.297 48.198 63.364 143 1HB MET 21 2HB MET 21 53.643 46.057 62.223 144 2HB MET 21 1HB MET 21 55.107 45.756 63.177 145 1HG MET 21 2HG MET 21 52.530 45.926 64.716 146 2HG MET 21 1HG MET 21 52.620 44.555 63.584 147 1HE MET 21 1HE MET 21 53.850 42.184 66.233 148 2HE MET 21 2HE MET 21 52.728 42.655 64.894 149 3HE MET 21 3HE MET 21 52.427 43.315 66.455 150 H LYS 22 H LYS 22 56.144 47.352 65.180 151 HA LYS 22 HA LYS 22 54.741 46.907 67.647 152 1HB LYS 22 2HB LYS 22 57.381 46.368 66.769 153 2HB LYS 22 1HB LYS 22 57.670 47.900 67.640 154 1HG LYS 22 2HG LYS 22 55.795 46.342 69.185 155 2HG LYS 22 1HG LYS 22 57.266 45.280 68.743 156 1HD LYS 22 2HD LYS 22 57.527 48.171 69.745 157 2HD LYS 22 1HD LYS 22 57.415 46.750 70.929 158 1HE LYS 22 2HE LYS 22 59.387 46.557 68.557 159 2HE LYS 22 1HE LYS 22 59.802 47.745 69.836 160 1HZ LYS 22 1HZ LYS 22 59.163 44.875 70.297 161 2HZ LYS 22 2HZ LYS 22 59.542 45.976 71.515 162 3HZ LYS 22 3HZ LYS 22 60.671 45.582 70.419 163 H ALA 23 H ALA 23 55.742 49.742 66.131 164 HA ALA 23 HA ALA 23 56.010 51.450 68.452 165 1HB ALA 23 1HB ALA 23 55.300 53.287 66.963 166 2HB ALA 23 2HB ALA 23 54.823 52.180 65.661 167 3HB ALA 23 3HB ALA 23 56.616 52.238 66.191 168 H LEU 24 H LEU 24 53.413 49.976 66.962 169 HA LEU 24 HA LEU 24 51.446 50.788 68.992 170 1HB LEU 24 2HB LEU 24 49.844 51.434 67.054 171 2HB LEU 24 1HB LEU 24 51.197 52.602 67.347 172 HG LEU 24 HG LEU 24 51.964 50.414 65.461 173 1HD1 LEU 24 1HD1 LEU 24 49.382 51.897 64.923 174 2HD1 LEU 24 2HD1 LEU 24 49.832 50.233 64.572 175 3HD1 LEU 24 3HD1 LEU 24 50.548 51.563 63.524 176 1HD2 LEU 24 1HD2 LEU 24 53.041 52.088 64.267 177 2HD2 LEU 24 2HD2 LEU 24 52.936 52.963 65.860 178 3HD2 LEU 24 3HD2 LEU 24 51.723 53.283 64.549 179 H ASP 25 H ASP 25 52.059 48.647 69.226 180 HA ASP 25 HA ASP 25 51.779 46.434 67.406 181 1HB ASP 25 2HB ASP 25 51.458 45.130 69.590 182 2HB ASP 25 1HB ASP 25 52.993 46.127 69.494 183 H ILE 26 H ILE 26 50.083 46.945 66.240 184 HA ILE 26 HA ILE 26 47.318 46.889 67.253 185 HB ILE 26 HB ILE 26 48.583 46.405 64.493 186 1HG1 ILE 26 2HG1 ILE 26 48.773 48.712 65.219 187 2HG1 ILE 26 1HG1 ILE 26 47.650 48.540 63.817 188 1HG2 ILE 26 1HG2 ILE 26 46.351 45.303 64.512 189 2HG2 ILE 26 2HG2 ILE 26 46.225 46.873 63.625 190 3HG2 ILE 26 3HG2 ILE 26 45.635 46.791 65.371 191 1HD1 ILE 26 1HD1 ILE 26 45.630 48.742 65.218 192 2HD1 ILE 26 2HD1 ILE 26 46.680 50.092 65.716 193 3HD1 ILE 26 3HD1 ILE 26 46.638 48.653 66.752 194 H ASP 27 H ASP 27 49.242 44.790 65.229 195 HA ASP 27 HA ASP 27 48.905 42.365 66.699 196 1HB ASP 27 2HB ASP 27 46.514 43.014 65.616 197 2HB ASP 27 1HB ASP 27 47.337 42.081 64.193 198 H PHE 28 H PHE 28 49.262 40.381 65.025 199 HA PHE 28 HA PHE 28 51.744 41.054 63.716 200 1HB PHE 28 2HB PHE 28 52.031 38.693 63.662 201 2HB PHE 28 1HB PHE 28 50.817 38.865 65.012 202 HD1 PHE 28 HD1 PHE 28 51.414 37.914 61.503 203 HD2 PHE 28 HD2 PHE 28 48.562 38.229 64.610 204 HE1 PHE 28 HE1 PHE 28 49.802 36.435 60.106 205 HE2 PHE 28 HE2 PHE 28 46.929 36.810 63.289 206 HZ PHE 28 HZ PHE 28 47.601 35.942 61.062 207 H ALA 29 H ALA 29 48.437 40.623 62.826 208 HA ALA 29 HA ALA 29 48.744 40.063 59.947 209 1HB ALA 29 1HB ALA 29 46.301 40.695 59.914 210 2HB ALA 29 2HB ALA 29 46.500 41.527 61.484 211 3HB ALA 29 3HB ALA 29 46.639 39.680 61.377 212 H THR 30 H THR 30 48.661 42.852 61.988 213 HA THR 30 HA THR 30 48.143 44.907 60.151 214 HB THR 30 HB THR 30 49.985 45.166 62.577 215 HG1 THR 30 1HG THR 30 48.395 44.344 63.580 216 1HG2 THR 30 1HG2 THR 30 47.941 47.176 62.521 217 2HG2 THR 30 2HG2 THR 30 48.237 46.852 60.783 218 3HG2 THR 30 3HG2 THR 30 49.636 47.403 61.871 219 H ARG 31 H ARG 31 51.204 43.693 61.209 220 HA ARG 31 HA ARG 31 52.760 45.436 59.390 221 1HB ARG 31 2HB ARG 31 54.534 45.027 60.655 222 2HB ARG 31 1HB ARG 31 53.377 44.228 61.787 223 1HG ARG 31 2HG ARG 31 54.770 42.646 59.486 224 2HG ARG 31 1HG ARG 31 55.537 42.971 61.109 225 1HD ARG 31 2HD ARG 31 52.969 42.112 61.780 226 2HD ARG 31 1HD ARG 31 53.337 41.022 60.359 227 HE ARG 31 HE ARG 31 54.545 41.017 62.993 228 1HH1 ARG 31 2HH2 ARG 31 55.113 40.311 59.521 229 2HH1 ARG 31 1HH2 ARG 31 56.364 39.142 59.807 230 1HH2 ARG 31 2HH1 ARG 31 56.157 39.473 63.366 231 2HH2 ARG 31 1HH1 ARG 31 56.994 38.622 62.049 232 H LYS 32 H LYS 32 51.398 42.151 59.301 233 HA LYS 32 HA LYS 32 53.119 41.248 57.170 234 1HB LYS 32 2HB LYS 32 52.185 39.598 58.529 235 2HB LYS 32 1HB LYS 32 50.593 40.412 58.561 236 1HG LYS 32 2HG LYS 32 50.466 39.752 55.953 237 2HG LYS 32 1HG LYS 32 51.899 38.710 56.332 238 1HD LYS 32 2HD LYS 32 50.774 37.305 57.868 239 2HD LYS 32 1HD LYS 32 49.580 38.613 58.213 240 1HE LYS 32 2HE LYS 32 48.322 38.307 56.218 241 2HE LYS 32 1HE LYS 32 49.686 37.425 55.407 242 1HZ LYS 32 1HZ LYS 32 47.746 36.034 56.462 243 2HZ LYS 32 2HZ LYS 32 48.544 36.326 57.896 244 3HZ LYS 32 3HZ LYS 32 49.325 35.567 56.596 245 H ILE 33 H ILE 33 50.024 42.980 57.585 246 HA ILE 33 HA ILE 33 49.293 42.611 54.774 247 HB ILE 33 HB ILE 33 48.142 44.367 57.089 248 1HG1 ILE 33 2HG1 ILE 33 46.617 42.141 55.623 249 2HG1 ILE 33 1HG1 ILE 33 47.940 41.770 56.784 250 1HG2 ILE 33 1HG2 ILE 33 47.177 44.095 54.162 251 2HG2 ILE 33 2HG2 ILE 33 47.786 45.586 54.938 252 3HG2 ILE 33 3HG2 ILE 33 46.173 44.870 55.429 253 1HD1 ILE 33 1HD1 ILE 33 46.452 43.805 58.119 254 2HD1 ILE 33 2HD1 ILE 33 46.146 42.019 58.329 255 3HD1 ILE 33 3HD1 ILE 33 45.209 42.967 57.096 256 H ALA 34 H ALA 34 50.765 44.962 56.869 257 HA ALA 34 HA ALA 34 50.918 47.185 54.963 258 1HB ALA 34 1HB ALA 34 51.272 47.471 57.566 259 2HB ALA 34 2HB ALA 34 52.647 48.070 56.552 260 3HB ALA 34 3HB ALA 34 52.785 46.493 57.383 261 H VAL 35 H VAL 35 52.658 44.454 55.899 262 HA VAL 35 HA VAL 35 55.232 44.933 54.808 263 HB VAL 35 HB VAL 35 53.636 42.525 55.527 264 1HG1 VAL 35 1HG1 VAL 35 55.975 42.434 53.473 265 2HG1 VAL 35 2HG1 VAL 35 54.324 41.756 53.157 266 3HG1 VAL 35 3HG1 VAL 35 55.429 40.981 54.391 267 1HG2 VAL 35 1HG2 VAL 35 55.688 43.716 56.775 268 2HG2 VAL 35 2HG2 VAL 35 56.615 42.579 55.652 269 3HG2 VAL 35 3HG2 VAL 35 55.400 41.927 56.839 270 H ARG 36 H ARG 36 52.349 43.908 53.133 271 HA ARG 36 HA ARG 36 53.962 44.103 50.541 272 1HB ARG 36 2HB ARG 36 52.611 42.413 49.544 273 2HB ARG 36 1HB ARG 36 53.154 41.771 51.155 274 1HG ARG 36 2HG ARG 36 50.545 43.095 51.515 275 2HG ARG 36 1HG ARG 36 50.477 41.873 50.150 276 1HD ARG 36 2HD ARG 36 51.975 41.209 52.662 277 2HD ARG 36 1HD ARG 36 50.185 41.267 52.785 278 HE ARG 36 HE ARG 36 51.851 39.459 51.052 279 1HH1 ARG 36 1HH1 ARG 36 48.510 40.533 51.884 280 2HH1 ARG 36 2HH1 ARG 36 47.818 39.132 51.063 281 1HH2 ARG 36 2HH2 ARG 36 50.778 37.653 50.032 282 2HH2 ARG 36 1HH2 ARG 36 48.993 37.630 50.108 283 H LEU 37 H LEU 37 50.997 45.003 52.248 284 HA LEU 37 HA LEU 37 50.071 46.008 49.604 285 1HB LEU 37 2HB LEU 37 47.923 45.757 50.426 286 2HB LEU 37 1HB LEU 37 48.731 44.998 51.883 287 HG LEU 37 HG LEU 37 48.907 47.160 53.003 288 1HD1 LEU 37 1HD1 LEU 37 48.192 48.318 50.392 289 2HD1 LEU 37 2HD1 LEU 37 48.499 49.163 51.971 290 3HD1 LEU 37 3HD1 LEU 37 46.831 48.638 51.525 291 1HD2 LEU 37 1HD2 LEU 37 46.627 46.955 53.733 292 2HD2 LEU 37 2HD2 LEU 37 46.832 45.424 52.745 293 3HD2 LEU 37 3HD2 LEU 37 46.090 46.902 51.984 294 H THR 38 H THR 38 50.475 47.689 48.834 295 HA THR 38 HA THR 38 52.072 49.794 49.919 296 HB THR 38 HB THR 38 51.079 50.867 47.731 297 HG1 THR 38 1HG THR 38 49.395 49.383 47.636 298 1HG2 THR 38 1HG2 THR 38 53.290 49.239 48.219 299 2HG2 THR 38 2HG2 THR 38 52.976 49.975 46.617 300 3HG2 THR 38 3HG2 THR 38 52.404 48.251 46.999 301 H GLN 39 H GLN 39 51.530 51.550 51.167 302 HA GLN 39 HA GLN 39 48.571 52.135 51.315 303 1HB GLN 39 2HB GLN 39 49.200 53.069 53.642 304 2HB GLN 39 1HB GLN 39 49.374 51.279 53.324 305 1HG GLN 39 2HG GLN 39 51.625 51.281 53.484 306 2HG GLN 39 1HG GLN 39 51.754 52.907 52.618 307 1HE2 GLN 39 1HE2 GLN 39 51.261 54.717 53.605 308 2HE2 GLN 39 2HE2 GLN 39 51.540 54.997 55.312 309 H THR 40 H THR 40 48.544 53.290 49.632 310 HA THR 40 HA THR 40 49.908 55.598 48.904 311 HB THR 40 HB THR 40 46.828 55.678 48.895 312 HG1 THR 40 1HG THR 40 46.776 53.893 47.893 313 1HG2 THR 40 1HG2 THR 40 47.547 57.487 47.500 314 2HG2 THR 40 2HG2 THR 40 47.752 56.178 46.280 315 3HG2 THR 40 3HG2 THR 40 49.177 56.719 47.250 316 H LYS 41 H LYS 41 49.851 57.615 49.066 317 HA LYS 41 HA LYS 41 48.308 58.785 51.414 318 1HB LYS 41 2HB LYS 41 50.769 57.522 51.894 319 2HB LYS 41 1HB LYS 41 51.353 59.134 51.380 320 1HG LYS 41 2HG LYS 41 49.656 60.055 53.189 321 2HG LYS 41 1HG LYS 41 49.589 58.363 53.784 322 1HD LYS 41 2HD LYS 41 51.449 59.800 54.956 323 2HD LYS 41 1HD LYS 41 52.188 58.448 54.019 324 1HE LYS 41 2HE LYS 41 52.950 59.841 52.327 325 2HE LYS 41 1HE LYS 41 51.715 61.130 52.781 326 1HZ LYS 41 1HZ LYS 41 54.074 61.590 53.467 327 2HZ LYS 41 2HZ LYS 41 54.026 60.185 54.442 328 3HZ LYS 41 3HZ LYS 41 53.061 61.478 54.789 329 H ILE 42 H ILE 42 48.861 61.096 51.769 330 HA ILE 42 HA ILE 42 50.317 62.484 49.721 331 HB ILE 42 HB ILE 42 48.809 62.058 47.939 332 1HG1 ILE 42 2HG1 ILE 42 47.167 64.328 49.188 333 2HG1 ILE 42 1HG1 ILE 42 48.835 64.648 48.619 334 1HG2 ILE 42 1HG2 ILE 42 47.152 60.668 48.849 335 2HG2 ILE 42 2HG2 ILE 42 46.254 62.116 48.388 336 3HG2 ILE 42 3HG2 ILE 42 46.696 61.824 50.140 337 1HD1 ILE 42 1HD1 ILE 42 47.180 62.958 46.760 338 2HD1 ILE 42 2HD1 ILE 42 48.123 64.402 46.313 339 3HD1 ILE 42 3HD1 ILE 42 46.477 64.627 46.985 340 H ILE 43 H ILE 43 51.005 64.026 50.763 341 HA ILE 43 HA ILE 43 49.510 65.347 52.923 342 HB ILE 43 HB ILE 43 52.131 65.801 51.438 343 1HG1 ILE 43 2HG1 ILE 43 51.903 64.356 54.133 344 2HG1 ILE 43 1HG1 ILE 43 51.823 63.408 52.543 345 1HG2 ILE 43 1HG2 ILE 43 51.749 67.727 52.817 346 2HG2 ILE 43 2HG2 ILE 43 52.932 66.687 53.749 347 3HG2 ILE 43 3HG2 ILE 43 51.217 66.675 54.250 348 1HD1 ILE 43 1HD1 ILE 43 53.940 65.396 52.460 349 2HD1 ILE 43 2HD1 ILE 43 54.205 63.599 52.611 350 3HD1 ILE 43 3HD1 ILE 43 54.148 64.606 54.071 351 H VAL 44 H VAL 44 49.665 67.689 53.021 352 HA VAL 44 HA VAL 44 50.013 69.243 50.540 353 HB VAL 44 HB VAL 44 47.747 67.809 50.313 354 1HG1 VAL 44 1HG1 VAL 44 46.589 70.385 51.552 355 2HG1 VAL 44 2HG1 VAL 44 46.707 68.732 52.361 356 3HG1 VAL 44 3HG1 VAL 44 45.761 68.949 50.867 357 1HG2 VAL 44 1HG2 VAL 44 48.800 69.532 48.616 358 2HG2 VAL 44 2HG2 VAL 44 47.771 70.773 49.464 359 3HG2 VAL 44 3HG2 VAL 44 47.006 69.385 48.605 360 H GLN 45 H GLN 45 50.434 71.166 51.123 361 HA GLN 45 HA GLN 45 48.874 72.419 53.295 362 1HB GLN 45 2HB GLN 45 50.736 72.715 54.802 363 2HB GLN 45 1HB GLN 45 50.902 70.991 54.201 364 1HG GLN 45 2HG GLN 45 52.654 71.636 52.616 365 2HG GLN 45 1HG GLN 45 52.351 73.417 53.054 366 1HE2 GLN 45 2HE2 GLN 45 53.661 74.213 54.408 367 2HE2 GLN 45 1HE2 GLN 45 54.631 73.246 55.708 368 H ASP 46 H ASP 46 49.719 74.312 54.130 369 HA ASP 46 HA ASP 46 50.670 76.059 51.918 370 1HB ASP 46 2HB ASP 46 48.081 75.786 52.013 371 2HB ASP 46 1HB ASP 46 48.132 76.762 53.566 372 H GLY 47 H GLY 47 52.079 75.386 54.185 373 1HA GLY 47 1HA GLY 47 53.622 77.179 55.154 374 2HA GLY 47 2HA GLY 47 52.098 78.065 55.711 375 H ASP 48 H ASP 48 50.887 75.551 56.566 376 HA ASP 48 HA ASP 48 52.707 74.741 58.728 377 1HB ASP 48 2HB ASP 48 50.373 75.504 60.257 378 2HB ASP 48 1HB ASP 48 51.949 76.521 60.162 379 H ASN 49 H ASN 49 49.304 74.932 58.050 380 HA ASN 49 HA ASN 49 48.741 72.323 59.328 381 1HB ASN 49 2HB ASN 49 46.518 73.421 57.596 382 2HB ASN 49 1HB ASN 49 46.577 72.857 59.337 383 1HD2 ASN 49 1HD2 ASN 49 48.350 74.411 60.335 384 2HD2 ASN 49 2HD2 ASN 49 47.823 76.239 60.207 385 H PHE 50 H PHE 50 49.812 70.727 58.299 386 HA PHE 50 HA PHE 50 49.119 70.286 55.434 387 1HB PHE 50 2HB PHE 50 51.010 68.904 55.149 388 2HB PHE 50 1HB PHE 50 51.584 70.329 56.144 389 HD1 PHE 50 HD1 PHE 50 51.007 66.718 56.153 390 HD2 PHE 50 HD2 PHE 50 51.856 70.261 58.480 391 HE1 PHE 50 HE1 PHE 50 51.790 65.304 58.130 392 HE2 PHE 50 HE2 PHE 50 52.605 68.860 60.365 393 HZ PHE 50 HZ PHE 50 52.556 66.396 60.144 394 H LYS 51 H LYS 51 47.832 68.790 54.692 395 HA LYS 51 HA LYS 51 46.969 66.806 56.765 396 1HB LYS 51 2HB LYS 51 45.448 68.710 56.052 397 2HB LYS 51 1HB LYS 51 45.268 67.921 54.399 398 1HG LYS 51 2HG LYS 51 44.676 66.341 57.013 399 2HG LYS 51 1HG LYS 51 43.458 67.340 56.080 400 1HD LYS 51 2HD LYS 51 44.137 66.080 54.047 401 2HD LYS 51 1HD LYS 51 45.106 64.935 55.141 402 1HE LYS 51 2HE LYS 51 42.233 65.540 55.671 403 2HE LYS 51 1HE LYS 51 42.672 64.241 54.446 404 1HZ LYS 51 1HZ LYS 51 43.573 64.388 57.255 405 2HZ LYS 51 2HZ LYS 51 43.889 63.119 56.200 406 3HZ LYS 51 3HZ LYS 51 42.299 63.438 56.707 407 H THR 52 H THR 52 47.709 65.009 56.468 408 HA THR 52 HA THR 52 47.827 63.855 53.701 409 HB THR 52 HB THR 52 50.087 64.145 54.638 410 HG1 THR 52 1HG THR 52 50.042 62.323 53.766 411 1HG2 THR 52 1HG2 THR 52 48.867 62.852 57.206 412 2HG2 THR 52 2HG2 THR 52 49.589 64.547 57.037 413 3HG2 THR 52 3HG2 THR 52 50.639 63.143 56.971 414 H LYS 53 H LYS 53 47.446 61.480 53.665 415 HA LYS 53 HA LYS 53 46.255 60.341 56.134 416 1HB LYS 53 2HB LYS 53 44.046 59.717 54.712 417 2HB LYS 53 1HB LYS 53 44.285 61.499 55.029 418 1HG LYS 53 2HG LYS 53 45.713 60.578 52.621 419 2HG LYS 53 1HG LYS 53 43.909 60.102 52.606 420 1HD LYS 53 2HD LYS 53 43.820 62.686 53.457 421 2HD LYS 53 1HD LYS 53 45.178 62.710 52.222 422 1HE LYS 53 2HE LYS 53 43.501 61.291 50.679 423 2HE LYS 53 1HE LYS 53 42.246 62.025 51.799 424 1HZ LYS 53 1HZ LYS 53 42.435 63.587 50.228 425 2HZ LYS 53 2HZ LYS 53 44.053 63.410 49.917 426 3HZ LYS 53 3HZ LYS 53 43.563 64.207 51.290 427 H THR 54 H THR 54 45.613 58.202 55.794 428 HA THR 54 HA THR 54 47.472 56.888 53.788 429 HB THR 54 HB THR 54 47.036 54.787 55.294 430 HG1 THR 54 1HG THR 54 46.558 56.945 56.983 431 1HG2 THR 54 1HG2 THR 54 49.169 55.918 54.613 432 2HG2 THR 54 2HG2 THR 54 49.302 55.522 56.422 433 3HG2 THR 54 3HG2 THR 54 49.010 57.188 55.861 434 H ASN 55 H ASN 55 46.789 55.337 52.410 435 HA ASN 55 HA ASN 55 43.860 54.665 52.537 436 1HB ASN 55 2HB ASN 55 44.556 56.513 50.856 437 2HB ASN 55 1HB ASN 55 45.094 55.019 49.801 438 1HD2 ASN 55 1HD2 ASN 55 42.601 56.259 52.015 439 2HD2 ASN 55 2HD2 ASN 55 41.128 55.612 51.028 440 H SER 56 H SER 56 44.683 53.036 53.644 441 HA SER 56 HA SER 56 45.704 50.602 52.126 442 1HB SER 56 2HB SER 56 45.400 50.957 55.186 443 2HB SER 56 1HB SER 56 46.406 49.709 54.225 444 HG SER 56 HG SER 56 47.007 52.345 53.789 445 H THR 57 H THR 57 44.944 48.672 53.102 446 HA THR 57 HA THR 57 41.952 48.709 52.864 447 HB THR 57 HB THR 57 44.173 46.816 52.329 448 HG1 THR 57 1HG THR 57 41.772 47.511 51.333 449 1HG2 THR 57 1HG2 THR 57 43.243 45.585 54.337 450 2HG2 THR 57 2HG2 THR 57 42.557 44.767 52.888 451 3HG2 THR 57 3HG2 THR 57 41.568 45.980 53.801 452 H PHE 58 H PHE 58 44.456 47.213 54.924 453 HA PHE 58 HA PHE 58 42.934 46.490 57.152 454 1HB PHE 58 2HB PHE 58 45.627 46.687 56.642 455 2HB PHE 58 1HB PHE 58 45.424 47.877 57.984 456 HD1 PHE 58 HD1 PHE 58 43.529 44.646 57.369 457 HD2 PHE 58 HD2 PHE 58 46.211 46.891 59.908 458 HE1 PHE 58 HE1 PHE 58 43.421 42.854 59.088 459 HE2 PHE 58 HE2 PHE 58 46.082 45.106 61.570 460 HZ PHE 58 HZ PHE 58 44.712 43.106 61.209 461 H ARG 59 H ARG 59 44.671 49.701 57.275 462 HA ARG 59 HA ARG 59 42.126 50.662 58.732 463 1HB ARG 59 2HB ARG 59 44.811 50.339 59.915 464 2HB ARG 59 1HB ARG 59 44.190 52.067 59.926 465 1HG ARG 59 2HG ARG 59 43.309 51.197 61.905 466 2HG ARG 59 1HG ARG 59 41.944 51.001 60.718 467 1HD ARG 59 2HD ARG 59 42.078 48.695 60.866 468 2HD ARG 59 1HD ARG 59 43.891 48.780 60.855 469 HE ARG 59 HE ARG 59 43.961 48.789 63.159 470 1HH1 ARG 59 1HH1 ARG 59 40.499 49.577 62.115 471 2HH1 ARG 59 2HH1 ARG 59 39.989 49.507 63.781 472 1HH2 ARG 59 2HH2 ARG 59 43.079 48.745 65.197 473 2HH2 ARG 59 1HH2 ARG 59 41.393 49.052 65.534 474 H ASN 60 H ASN 60 42.198 52.765 59.246 475 HA ASN 60 HA ASN 60 43.370 54.422 57.014 476 1HB ASN 60 2HB ASN 60 40.983 54.203 56.411 477 2HB ASN 60 1HB ASN 60 40.423 54.521 58.141 478 1HD2 ASN 60 1HD2 ASN 60 39.479 56.499 58.151 479 2HD2 ASN 60 2HD2 ASN 60 40.096 57.935 57.377 480 H TYR 61 H TYR 61 44.389 56.091 57.587 481 HA TYR 61 HA TYR 61 43.683 57.343 60.171 482 1HB TYR 61 2HB TYR 61 45.283 55.436 60.701 483 2HB TYR 61 1HB TYR 61 46.564 56.267 59.649 484 HD1 TYR 61 HD1 TYR 61 43.983 57.487 62.069 485 HD2 TYR 61 HD2 TYR 61 48.176 57.104 61.114 486 HE1 TYR 61 HE1 TYR 61 44.496 58.845 64.032 487 HE2 TYR 61 HE2 TYR 61 48.683 58.526 63.162 488 HH TYR 61 HH TYR 61 47.811 59.397 65.054 489 H ASP 62 H ASP 62 44.111 59.346 60.370 490 HA ASP 62 HA ASP 62 45.575 60.754 58.120 491 1HB ASP 62 2HB ASP 62 44.132 62.559 58.413 492 2HB ASP 62 1HB ASP 62 43.041 61.034 58.334 493 H LEU 63 H LEU 63 47.105 62.126 58.450 494 HA LEU 63 HA LEU 63 47.764 62.598 61.343 495 1HB LEU 63 2HB LEU 63 49.242 61.391 59.377 496 2HB LEU 63 1HB LEU 63 49.881 63.068 59.178 497 HG LEU 63 HG LEU 63 51.345 61.927 60.798 498 1HD1 LEU 63 1HD1 LEU 63 49.429 63.962 61.914 499 2HD1 LEU 63 2HD1 LEU 63 51.244 63.936 61.776 500 3HD1 LEU 63 3HD1 LEU 63 50.344 63.026 63.097 501 1HD2 LEU 63 1HD2 LEU 63 50.416 59.989 61.524 502 2HD2 LEU 63 2HD2 LEU 63 48.762 60.676 61.506 503 3HD2 LEU 63 3HD2 LEU 63 49.849 61.047 62.951 504 H ASP 64 H ASP 64 45.917 64.339 60.779 505 HA ASP 64 HA ASP 64 47.088 66.686 59.351 506 1HB ASP 64 2HB ASP 64 44.919 67.698 59.967 507 2HB ASP 64 1HB ASP 64 44.580 65.917 59.502 508 H PHE 65 H PHE 65 48.112 68.288 60.148 509 HA PHE 65 HA PHE 65 48.186 68.940 63.031 510 1HB PHE 65 2HB PHE 65 49.480 66.913 63.178 511 2HB PHE 65 1HB PHE 65 50.406 67.358 61.699 512 HD1 PHE 65 HD1 PHE 65 52.651 68.087 62.163 513 HD2 PHE 65 HD2 PHE 65 49.372 68.853 64.914 514 HE1 PHE 65 HE1 PHE 65 54.212 69.160 63.639 515 HE2 PHE 65 HE2 PHE 65 50.995 69.978 66.418 516 HZ PHE 65 HZ PHE 65 53.390 70.147 65.819 517 H THR 66 H THR 66 49.188 70.782 63.404 518 HA THR 66 HA THR 66 49.906 72.612 61.132 519 HB THR 66 HB THR 66 49.448 72.977 64.118 520 HG1 THR 66 1HG THR 66 47.649 72.424 63.007 521 1HG2 THR 66 1HG2 THR 66 50.737 74.826 62.299 522 2HG2 THR 66 2HG2 THR 66 49.788 75.354 63.768 523 3HG2 THR 66 3HG2 THR 66 49.005 75.326 62.163 524 H VAL 67 H VAL 67 51.885 72.940 60.653 525 HA VAL 67 HA VAL 67 54.104 71.625 61.967 526 HB VAL 67 HB VAL 67 53.919 74.006 60.115 527 1HG1 VAL 67 1HG1 VAL 67 56.480 73.324 59.837 528 2HG1 VAL 67 2HG1 VAL 67 56.264 72.549 61.500 529 3HG1 VAL 67 3HG1 VAL 67 55.941 74.333 61.244 530 1HG2 VAL 67 1HG2 VAL 67 53.357 71.700 59.135 531 2HG2 VAL 67 2HG2 VAL 67 54.920 71.044 59.828 532 3HG2 VAL 67 3HG2 VAL 67 54.872 72.360 58.518 533 H GLY 68 H GLY 68 55.257 71.940 63.532 534 1HA GLY 68 1HA GLY 68 56.369 73.049 65.287 535 2HA GLY 68 2HA GLY 68 55.958 74.632 64.377 536 H VAL 69 H VAL 69 53.126 73.032 64.905 537 HA VAL 69 HA VAL 69 52.656 74.487 67.545 538 HB VAL 69 HB VAL 69 50.971 74.144 64.940 539 1HG1 VAL 69 1HG1 VAL 69 49.635 76.006 66.655 540 2HG1 VAL 69 2HG1 VAL 69 49.931 74.550 67.612 541 3HG1 VAL 69 3HG1 VAL 69 49.144 74.396 65.959 542 1HG2 VAL 69 1HG2 VAL 69 50.904 76.642 64.868 543 2HG2 VAL 69 2HG2 VAL 69 52.516 76.001 64.534 544 3HG2 VAL 69 3HG2 VAL 69 52.119 76.774 66.182 545 H GLU 70 H GLU 70 53.292 72.683 68.330 546 HA GLU 70 HA GLU 70 52.429 70.098 67.949 547 1HB GLU 70 2HB GLU 70 52.333 71.107 70.814 548 2HB GLU 70 1HB GLU 70 52.987 69.538 70.113 549 1HG GLU 70 2HG GLU 70 54.940 70.449 70.602 550 2HG GLU 70 1HG GLU 70 54.688 71.208 68.897 551 H PHE 71 H PHE 71 51.014 68.770 68.616 552 HA PHE 71 HA PHE 71 48.481 69.709 69.869 553 1HB PHE 71 2HB PHE 71 47.807 70.882 68.041 554 2HB PHE 71 1HB PHE 71 48.717 69.850 66.840 555 HD1 PHE 71 HD1 PHE 71 47.712 67.984 65.771 556 HD2 PHE 71 HD2 PHE 71 45.603 70.070 68.891 557 HE1 PHE 71 HE1 PHE 71 45.674 66.826 65.169 558 HE2 PHE 71 HE2 PHE 71 43.499 68.888 68.282 559 HZ PHE 71 HZ PHE 71 43.532 67.245 66.395 560 H ASP 72 H ASP 72 47.481 68.135 70.744 561 HA ASP 72 HA ASP 72 48.208 65.425 70.597 562 1HB ASP 72 2HB ASP 72 46.690 66.684 72.359 563 2HB ASP 72 1HB ASP 72 45.294 66.375 71.175 564 H GLU 73 H GLU 73 47.426 63.643 69.607 565 HA GLU 73 HA GLU 73 45.939 64.202 67.005 566 1HB GLU 73 2HB GLU 73 48.344 63.583 66.938 567 2HB GLU 73 1HB GLU 73 48.025 62.053 67.797 568 1HG GLU 73 2HG GLU 73 48.091 61.629 65.358 569 2HG GLU 73 1HG GLU 73 46.302 61.563 65.935 570 H HIS 74 H HIS 74 46.664 61.449 69.194 571 HA HIS 74 HA HIS 74 45.394 59.812 70.024 572 1HB HIS 74 2HB HIS 74 43.604 62.045 70.140 573 2HB HIS 74 1HB HIS 74 42.702 60.729 69.266 574 HD1 HIS 74 HD1 HIS 74 42.299 61.526 72.537 575 HD2 HIS 74 HD2 HIS 74 44.151 58.250 70.634 576 HE1 HIS 74 HE1 HIS 74 42.228 59.576 74.221 577 HE2 HIS 74 HE2 HIS 74 43.348 57.624 73.093 578 H THR 75 H THR 75 46.111 58.402 68.631 579 HA THR 75 HA THR 75 44.847 58.130 66.006 580 HB THR 75 HB THR 75 46.427 56.660 65.414 581 HG1 THR 75 1HG THR 75 46.418 54.954 66.453 582 1HG2 THR 75 1HG2 THR 75 47.458 58.745 67.038 583 2HG2 THR 75 2HG2 THR 75 48.479 57.609 66.123 584 3HG2 THR 75 3HG2 THR 75 48.198 57.280 67.882 585 H LYS 76 H LYS 76 43.797 57.422 68.871 586 HA LYS 76 HA LYS 76 42.878 55.176 69.723 587 1HB LYS 76 2HB LYS 76 40.349 55.958 69.223 588 2HB LYS 76 1HB LYS 76 41.481 56.778 70.389 589 1HG LYS 76 2HG LYS 76 42.139 58.459 68.614 590 2HG LYS 76 1HG LYS 76 40.980 57.576 67.480 591 1HD LYS 76 2HD LYS 76 40.010 58.627 70.186 592 2HD LYS 76 1HD LYS 76 40.303 59.794 68.819 593 1HE LYS 76 2HE LYS 76 38.706 57.203 68.321 594 2HE LYS 76 1HE LYS 76 37.911 58.595 69.160 595 1HZ LYS 76 1HZ LYS 76 37.826 58.469 66.652 596 2HZ LYS 76 2HZ LYS 76 39.398 59.031 66.631 597 3HZ LYS 76 3HZ LYS 76 38.160 59.960 67.280 598 H GLY 77 H GLY 77 41.815 56.161 66.509 599 1HA GLY 77 1HA GLY 77 40.040 54.177 65.784 600 2HA GLY 77 2HA GLY 77 41.224 54.910 64.613 601 H LEU 78 H LEU 78 43.467 54.258 65.206 602 HA LEU 78 HA LEU 78 43.684 51.541 64.214 603 1HB LEU 78 2HB LEU 78 45.344 53.971 64.525 604 2HB LEU 78 1HB LEU 78 46.263 52.607 65.255 605 HG LEU 78 HG LEU 78 44.814 52.296 62.543 606 1HD1 LEU 78 1HD1 LEU 78 46.060 53.780 61.419 607 2HD1 LEU 78 2HD1 LEU 78 47.585 53.254 62.312 608 3HD1 LEU 78 3HD1 LEU 78 46.458 54.505 63.000 609 1HD2 LEU 78 1HD2 LEU 78 46.032 50.260 62.948 610 2HD2 LEU 78 2HD2 LEU 78 47.138 51.096 64.110 611 3HD2 LEU 78 3HD2 LEU 78 47.460 51.229 62.371 612 H ASP 79 H ASP 79 45.481 52.805 67.035 613 HA ASP 79 HA ASP 79 44.929 50.203 68.383 614 1HB ASP 79 2HB ASP 79 47.048 49.753 68.357 615 2HB ASP 79 1HB ASP 79 47.549 51.456 67.706 616 H GLY 80 H GLY 80 46.013 53.600 68.792 617 1HA GLY 80 1HA GLY 80 44.817 55.105 70.191 618 2HA GLY 80 2HA GLY 80 44.689 53.816 71.504 619 H ARG 81 H ARG 81 46.272 56.414 70.192 620 HA ARG 81 HA ARG 81 48.476 55.989 72.187 621 1HB ARG 81 2HB ARG 81 49.051 57.433 69.568 622 2HB ARG 81 1HB ARG 81 50.239 56.802 70.831 623 1HG ARG 81 2HG ARG 81 49.785 54.507 70.181 624 2HG ARG 81 1HG ARG 81 48.292 54.902 69.338 625 1HD ARG 81 2HD ARG 81 50.532 56.496 68.227 626 2HD ARG 81 1HD ARG 81 50.951 54.694 68.209 627 HE ARG 81 HE ARG 81 48.341 54.935 67.192 628 1HH1 ARG 81 2HH2 ARG 81 51.586 56.141 66.398 629 2HH1 ARG 81 1HH2 ARG 81 51.302 56.206 64.667 630 1HH2 ARG 81 2HH1 ARG 81 47.905 55.027 64.897 631 2HH2 ARG 81 1HH1 ARG 81 49.159 55.570 63.810 632 H ASN 82 H ASN 82 48.832 57.534 73.532 633 HA ASN 82 HA ASN 82 47.368 60.058 73.042 634 1HB ASN 82 2HB ASN 82 48.217 60.315 75.699 635 2HB ASN 82 1HB ASN 82 46.618 59.497 75.229 636 1HD2 ASN 82 2HD2 ASN 82 50.112 58.786 75.335 637 2HD2 ASN 82 1HD2 ASN 82 49.932 57.225 76.145 638 H VAL 83 H VAL 83 48.876 60.408 71.535 639 HA VAL 83 HA VAL 83 51.595 61.466 72.344 640 HB VAL 83 HB VAL 83 52.234 61.085 70.167 641 1HG1 VAL 83 1HG1 VAL 83 52.134 58.850 70.039 642 2HG1 VAL 83 2HG1 VAL 83 50.343 58.852 69.849 643 3HG1 VAL 83 3HG1 VAL 83 51.104 58.929 71.514 644 1HG2 VAL 83 1HG2 VAL 83 49.270 61.481 69.612 645 2HG2 VAL 83 2HG2 VAL 83 50.082 60.341 68.506 646 3HG2 VAL 83 3HG2 VAL 83 50.752 62.044 68.683 647 H LYS 84 H LYS 84 52.431 63.111 71.489 648 HA LYS 84 HA LYS 84 50.620 65.348 70.551 649 1HB LYS 84 2HB LYS 84 53.044 65.957 72.255 650 2HB LYS 84 1HB LYS 84 51.612 66.987 71.879 651 1HG LYS 84 2HG LYS 84 50.941 66.224 73.964 652 2HG LYS 84 1HG LYS 84 50.292 64.837 72.958 653 1HD LYS 84 2HD LYS 84 53.044 64.281 73.313 654 2HD LYS 84 1HD LYS 84 52.592 64.838 74.951 655 1HE LYS 84 2HE LYS 84 50.507 63.040 73.688 656 2HE LYS 84 1HE LYS 84 52.131 62.246 74.002 657 1HZ LYS 84 1HZ LYS 84 51.091 62.056 76.055 658 2HZ LYS 84 2HZ LYS 84 50.378 63.585 75.992 659 3HZ LYS 84 3HZ LYS 84 52.008 63.383 76.267 660 H THR 85 H THR 85 51.016 65.232 68.586 661 HA THR 85 HA THR 85 53.510 64.761 67.247 662 HB THR 85 HB THR 85 51.081 66.266 66.204 663 HG1 THR 85 1HG THR 85 49.984 64.804 66.957 664 1HG2 THR 85 1HG2 THR 85 51.630 64.822 64.172 665 2HG2 THR 85 2HG2 THR 85 52.672 63.777 65.214 666 3HG2 THR 85 3HG2 THR 85 53.239 65.455 64.733 667 H LEU 86 H LEU 86 55.153 65.869 66.822 668 HA LEU 86 HA LEU 86 54.719 68.799 66.486 669 1HB LEU 86 2HB LEU 86 55.520 68.751 68.747 670 2HB LEU 86 1HB LEU 86 56.821 67.523 68.339 671 HG LEU 86 HG LEU 86 56.985 70.144 66.825 672 1HD1 LEU 86 1HD1 LEU 86 57.151 69.730 69.856 673 2HD1 LEU 86 2HD1 LEU 86 56.680 71.219 68.966 674 3HD1 LEU 86 3HD1 LEU 86 58.402 70.807 69.056 675 1HD2 LEU 86 1HD2 LEU 86 58.563 67.816 67.222 676 2HD2 LEU 86 2HD2 LEU 86 59.298 69.135 68.278 677 3HD2 LEU 86 3HD2 LEU 86 59.120 69.344 66.482 678 H VAL 87 H VAL 87 55.658 69.558 64.863 679 HA VAL 87 HA VAL 87 57.944 68.070 63.625 680 HB VAL 87 HB VAL 87 55.572 69.496 62.157 681 1HG1 VAL 87 1HG1 VAL 87 56.704 68.438 60.064 682 2HG1 VAL 87 2HG1 VAL 87 58.008 67.942 61.170 683 3HG1 VAL 87 3HG1 VAL 87 57.684 69.715 60.895 684 1HG2 VAL 87 1HG2 VAL 87 55.879 66.722 61.397 685 2HG2 VAL 87 2HG2 VAL 87 54.475 67.561 62.194 686 3HG2 VAL 87 3HG2 VAL 87 55.817 66.803 63.184 687 H THR 88 H THR 88 59.416 69.038 62.486 688 HA THR 88 HA THR 88 59.588 71.985 62.540 689 HB THR 88 HB THR 88 60.426 70.510 64.618 690 HG1 THR 88 1HG THR 88 61.616 72.823 63.571 691 1HG2 THR 88 1HG2 THR 88 62.274 69.324 63.404 692 2HG2 THR 88 2HG2 THR 88 63.073 70.449 64.490 693 3HG2 THR 88 3HG2 THR 88 62.892 70.950 62.734 694 H TRP 89 H TRP 89 60.314 72.533 60.659 695 HA TRP 89 HA TRP 89 61.195 70.751 58.545 696 1HB TRP 89 2HB TRP 89 61.262 73.808 58.990 697 2HB TRP 89 1HB TRP 89 62.100 73.091 57.543 698 HD1 TRP 89 HD1 TRP 89 58.702 73.399 59.264 699 HE1 TRP 89 HE1 TRP 89 56.911 72.763 57.492 700 HE3 TRP 89 HE3 TRP 89 61.787 71.926 55.692 701 HZ2 TRP 89 HZ2 TRP 89 56.996 71.680 54.725 702 HZ3 TRP 89 HZ3 TRP 89 61.079 71.116 53.609 703 HH2 TRP 89 HH2 TRP 89 58.713 70.977 53.077 704 H GLU 90 H GLU 90 63.267 70.316 57.728 705 HA GLU 90 HA GLU 90 65.496 71.176 59.532 706 1HB GLU 90 2HB GLU 90 64.208 68.588 59.279 707 2HB GLU 90 1HB GLU 90 65.920 68.486 58.641 708 1HG GLU 90 2HG GLU 90 65.781 69.984 61.283 709 2HG GLU 90 1HG GLU 90 65.196 68.217 61.292 710 H GLY 91 H GLY 91 64.540 72.183 57.193 711 1HA GLY 91 1HA GLY 91 65.979 73.243 55.607 712 2HA GLY 91 2HA GLY 91 66.817 71.624 55.291 713 H ASN 92 H ASN 92 65.931 70.219 54.265 714 HA ASN 92 HA ASN 92 63.571 70.686 52.460 715 1HB ASN 92 2HB ASN 92 65.643 68.345 52.294 716 2HB ASN 92 1HB ASN 92 64.647 69.196 50.945 717 1HD2 ASN 92 2HD2 ASN 92 65.092 71.721 51.057 718 2HD2 ASN 92 1HD2 ASN 92 66.796 72.119 51.084 719 H THR 93 H THR 93 64.212 69.409 55.305 720 HA THR 93 HA THR 93 62.357 67.070 55.170 721 HB THR 93 HB THR 93 64.074 67.400 57.613 722 HG1 THR 93 1HG THR 93 64.989 67.350 55.127 723 1HG2 THR 93 1HG2 THR 93 64.399 64.839 56.534 724 2HG2 THR 93 2HG2 THR 93 62.715 65.287 55.931 725 3HG2 THR 93 3HG2 THR 93 63.077 65.208 57.702 726 H LEU 94 H LEU 94 61.247 66.716 57.166 727 HA LEU 94 HA LEU 94 60.352 69.008 58.810 728 1HB LEU 94 2HB LEU 94 57.881 68.360 58.338 729 2HB LEU 94 1HB LEU 94 58.759 69.366 57.090 730 HG LEU 94 HG LEU 94 59.288 66.578 56.682 731 1HD1 LEU 94 1HD1 LEU 94 57.246 65.696 57.212 732 2HD1 LEU 94 2HD1 LEU 94 56.811 66.326 55.589 733 3HD1 LEU 94 3HD1 LEU 94 56.345 67.310 57.070 734 1HD2 LEU 94 1HD2 LEU 94 58.801 68.965 55.163 735 2HD2 LEU 94 2HD2 LEU 94 57.783 67.625 54.494 736 3HD2 LEU 94 3HD2 LEU 94 59.583 67.399 54.672 737 H VAL 95 H VAL 95 61.821 67.384 59.759 738 HA VAL 95 HA VAL 95 61.165 64.857 60.580 739 HB VAL 95 HB VAL 95 62.488 67.272 62.048 740 1HG1 VAL 95 1HG1 VAL 95 63.767 65.466 63.412 741 2HG1 VAL 95 2HG1 VAL 95 62.626 64.256 62.643 742 3HG1 VAL 95 3HG1 VAL 95 62.025 65.616 63.695 743 1HG2 VAL 95 1HG2 VAL 95 64.618 65.730 61.292 744 2HG2 VAL 95 2HG2 VAL 95 63.847 66.823 60.071 745 3HG2 VAL 95 3HG2 VAL 95 63.430 65.043 60.108 746 H CYS 96 H CYS 96 59.478 64.147 61.635 747 HA CYS 96 HA CYS 96 58.112 65.785 63.728 748 1HB CYS 96 2HB CYS 96 56.728 64.912 61.772 749 2HB CYS 96 1HB CYS 96 57.170 63.253 62.124 750 HG CYS 96 HG CYS 96 55.859 62.865 64.158 751 H VAL 97 H VAL 97 57.549 64.696 65.654 752 HA VAL 97 HA VAL 97 58.853 62.194 66.403 753 HB VAL 97 HB VAL 97 59.576 64.266 68.357 754 1HG1 VAL 97 1HG1 VAL 97 60.801 62.091 66.626 755 2HG1 VAL 97 2HG1 VAL 97 61.445 62.607 68.282 756 3HG1 VAL 97 3HG1 VAL 97 61.896 63.524 66.821 757 1HG2 VAL 97 1HG2 VAL 97 61.047 65.574 67.087 758 2HG2 VAL 97 2HG2 VAL 97 59.318 65.787 66.485 759 3HG2 VAL 97 3HG2 VAL 97 60.619 64.826 65.548 760 H GLN 98 H GLN 98 57.331 61.237 67.480 761 HA GLN 98 HA GLN 98 55.296 62.830 69.026 762 1HB GLN 98 2HB GLN 98 55.353 59.935 68.033 763 2HB GLN 98 1HB GLN 98 54.080 60.541 69.168 764 1HG GLN 98 2HG GLN 98 53.291 62.216 67.489 765 2HG GLN 98 1HG GLN 98 54.623 61.738 66.370 766 1HE2 GLN 98 1HE2 GLN 98 54.402 60.182 65.154 767 2HE2 GLN 98 2HE2 GLN 98 52.962 59.100 65.022 768 H LYS 99 H LYS 99 54.374 62.169 70.785 769 HA LYS 99 HA LYS 99 56.272 60.809 72.769 770 1HB LYS 99 2HB LYS 99 54.024 62.636 73.529 771 2HB LYS 99 1HB LYS 99 55.562 62.365 74.412 772 1HG LYS 99 2HG LYS 99 55.139 64.067 71.838 773 2HG LYS 99 1HG LYS 99 55.564 64.702 73.463 774 1HD LYS 99 2HD LYS 99 57.782 63.911 73.341 775 2HD LYS 99 1HD LYS 99 57.357 62.607 72.132 776 1HE LYS 99 2HE LYS 99 58.510 64.449 70.919 777 2HE LYS 99 1HE LYS 99 56.714 64.564 70.554 778 1HZ LYS 99 1HZ LYS 99 56.847 66.058 72.736 779 2HZ LYS 99 2HZ LYS 99 57.096 66.659 71.186 780 3HZ LYS 99 3HZ LYS 99 58.395 66.310 72.197 781 H GLY 100 H GLY 100 54.577 60.721 74.789 782 1HA GLY 100 1HA GLY 100 52.339 59.840 75.530 783 2HA GLY 100 2HA GLY 100 52.023 59.374 73.805 784 H GLU 101 H GLU 101 55.037 58.915 74.974 785 HA GLU 101 HA GLU 101 56.084 57.189 76.293 786 1HB GLU 101 2HB GLU 101 55.243 54.969 76.450 787 2HB GLU 101 1HB GLU 101 53.746 55.911 76.492 788 1HG GLU 101 2HG GLU 101 53.747 55.543 73.807 789 2HG GLU 101 1HG GLU 101 55.015 54.276 74.214 790 H LYS 102 H LYS 102 55.869 58.166 73.279 791 HA LYS 102 HA LYS 102 57.736 55.943 72.268 792 1HB LYS 102 2HB LYS 102 57.276 57.774 70.169 793 2HB LYS 102 1HB LYS 102 56.594 56.061 70.390 794 1HG LYS 102 2HG LYS 102 55.205 58.670 71.278 795 2HG LYS 102 1HG LYS 102 54.854 57.681 69.839 796 1HD LYS 102 2HD LYS 102 54.777 55.657 71.666 797 2HD LYS 102 1HD LYS 102 54.216 57.064 72.670 798 1HE LYS 102 2HE LYS 102 52.197 57.193 71.707 799 2HE LYS 102 1HE LYS 102 52.982 57.086 70.056 800 1HZ LYS 102 1HZ LYS 102 51.600 55.152 70.366 801 2HZ LYS 102 2HZ LYS 102 52.189 54.924 71.907 802 3HZ LYS 102 3HZ LYS 102 53.145 54.555 70.608 803 H GLU 103 H GLU 103 57.371 59.478 71.961 804 HA GLU 103 HA GLU 103 59.026 61.130 71.827 805 1HB GLU 103 2HB GLU 103 60.952 59.604 73.529 806 2HB GLU 103 1HB GLU 103 60.193 61.235 73.818 807 1HG GLU 103 2HG GLU 103 58.018 59.802 74.337 808 2HG GLU 103 1HG GLU 103 59.325 58.498 74.704 809 H ASN 104 H ASN 104 59.203 58.681 70.066 810 HA ASN 104 HA ASN 104 61.782 59.403 68.985 811 1HB ASN 104 2HB ASN 104 61.430 57.228 70.889 812 2HB ASN 104 1HB ASN 104 61.644 56.363 69.310 813 1HD2 ASN 104 1HD2 ASN 104 63.251 58.285 68.089 814 2HD2 ASN 104 2HD2 ASN 104 64.949 58.171 68.974 815 H ARG 105 H ARG 105 58.773 59.392 68.253 816 HA ARG 105 HA ARG 105 59.002 57.509 65.958 817 1HB ARG 105 2HB ARG 105 56.969 57.350 67.632 818 2HB ARG 105 1HB ARG 105 56.413 58.861 66.804 819 1HG ARG 105 2HG ARG 105 56.618 57.958 64.615 820 2HG ARG 105 1HG ARG 105 57.219 56.345 65.193 821 1HD ARG 105 2HD ARG 105 54.398 57.542 65.230 822 2HD ARG 105 1HD ARG 105 54.971 55.887 64.790 823 HE ARG 105 HE ARG 105 53.831 56.644 67.185 824 1HH1 ARG 105 1HH2 ARG 105 57.228 55.099 66.644 825 2HH1 ARG 105 2HH2 ARG 105 57.100 54.430 68.245 826 1HH2 ARG 105 2HH1 ARG 105 54.050 55.610 69.180 827 2HH2 ARG 105 1HH1 ARG 105 55.504 54.668 69.572 828 H GLY 106 H GLY 106 60.018 58.490 64.609 829 1HA GLY 106 1HA GLY 106 58.681 61.023 63.480 830 2HA GLY 106 2HA GLY 106 60.459 60.881 63.770 831 H TRP 107 H TRP 107 58.838 61.448 61.579 832 HA TRP 107 HA TRP 107 60.046 59.587 59.601 833 1HB TRP 107 2HB TRP 107 57.856 60.874 58.224 834 2HB TRP 107 1HB TRP 107 58.097 59.153 58.633 835 HD1 TRP 107 HD1 TRP 107 57.095 58.597 61.247 836 HE1 TRP 107 HE1 TRP 107 55.198 59.521 62.643 837 HE3 TRP 107 HE3 TRP 107 56.624 62.777 58.728 838 HZ2 TRP 107 HZ2 TRP 107 53.724 61.888 62.552 839 HZ3 TRP 107 HZ3 TRP 107 54.933 64.444 59.364 840 HH2 TRP 107 HH2 TRP 107 53.496 63.952 61.284 841 H LYS 108 H LYS 108 61.748 60.307 58.981 842 HA LYS 108 HA LYS 108 62.022 63.209 58.254 843 1HB LYS 108 2HB LYS 108 63.930 60.798 57.905 844 2HB LYS 108 1HB LYS 108 64.414 62.588 57.681 845 1HG LYS 108 2HG LYS 108 63.449 62.950 60.037 846 2HG LYS 108 1HG LYS 108 63.809 61.138 60.212 847 1HD LYS 108 2HD LYS 108 66.196 61.816 59.110 848 2HD LYS 108 1HD LYS 108 65.774 63.480 59.644 849 1HE LYS 108 2HE LYS 108 66.422 63.029 61.723 850 2HE LYS 108 1HE LYS 108 65.284 61.549 61.815 851 1HZ LYS 108 1HZ LYS 108 67.958 61.602 60.537 852 2HZ LYS 108 2HZ LYS 108 66.983 60.286 60.651 853 3HZ LYS 108 3HZ LYS 108 67.692 60.972 62.054 854 H GLN 109 H GLN 109 60.192 62.727 56.932 855 HA GLN 109 HA GLN 109 60.643 61.407 54.326 856 1HB GLN 109 2HB GLN 109 58.793 63.679 55.123 857 2HB GLN 109 1HB GLN 109 58.712 62.657 53.565 858 1HG GLN 109 2HG GLN 109 58.475 60.640 55.126 859 2HG GLN 109 1HG GLN 109 57.984 61.931 56.435 860 1HE2 GLN 109 2HE2 GLN 109 57.661 60.587 53.353 861 2HE2 GLN 109 1HE2 GLN 109 55.901 61.088 52.992 862 H TRP 110 H TRP 110 63.121 62.571 54.237 863 HA TRP 110 HA TRP 110 62.605 65.375 53.347 864 1HB TRP 110 2HB TRP 110 64.676 65.740 53.805 865 2HB TRP 110 1HB TRP 110 64.609 64.110 54.660 866 HD1 TRP 110 HD1 TRP 110 65.866 65.706 51.477 867 HE1 TRP 110 HE1 TRP 110 67.598 63.954 50.384 868 HE3 TRP 110 HE3 TRP 110 65.008 62.025 54.595 869 HZ2 TRP 110 HZ2 TRP 110 68.280 61.297 51.059 870 HZ3 TRP 110 HZ3 TRP 110 66.112 59.883 54.460 871 HH2 TRP 110 HH2 TRP 110 67.728 59.527 52.714 872 H VAL 111 H VAL 111 61.733 65.710 51.560 873 HA VAL 111 HA VAL 111 61.434 63.926 49.304 874 HB VAL 111 HB VAL 111 61.439 67.018 49.551 875 1HG1 VAL 111 1HG1 VAL 111 60.525 65.178 47.267 876 2HG1 VAL 111 2HG1 VAL 111 61.377 66.772 47.309 877 3HG1 VAL 111 3HG1 VAL 111 59.607 66.675 47.702 878 1HG2 VAL 111 1HG2 VAL 111 59.455 66.686 50.811 879 2HG2 VAL 111 2HG2 VAL 111 59.743 64.910 50.618 880 3HG2 VAL 111 3HG2 VAL 111 58.786 65.834 49.345 881 H GLU 112 H GLU 112 62.509 63.249 47.731 882 HA GLU 112 HA GLU 112 64.762 64.899 46.705 883 1HB GLU 112 2HB GLU 112 64.593 61.987 47.510 884 2HB GLU 112 1HB GLU 112 65.848 62.527 46.314 885 1HG GLU 112 2HG GLU 112 66.364 64.324 48.282 886 2HG GLU 112 1HG GLU 112 65.391 63.095 49.296 887 H GLY 113 H GLY 113 62.277 65.052 45.890 888 1HA GLY 113 1HA GLY 113 61.148 65.251 43.798 889 2HA GLY 113 2HA GLY 113 62.291 64.082 43.041 890 H ASP 114 H ASP 114 60.533 63.197 42.065 891 HA ASP 114 HA ASP 114 58.225 62.096 43.183 892 1HB ASP 114 2HB ASP 114 60.201 61.063 41.017 893 2HB ASP 114 1HB ASP 114 58.630 60.107 41.474 894 H LYS 115 H LYS 115 61.426 60.940 43.684 895 HA LYS 115 HA LYS 115 60.575 58.548 45.325 896 1HB LYS 115 2HB LYS 115 62.255 58.158 43.365 897 2HB LYS 115 1HB LYS 115 63.270 59.438 44.088 898 1HG LYS 115 2HG LYS 115 64.129 57.958 45.650 899 2HG LYS 115 1HG LYS 115 62.408 57.560 46.165 900 1HD LYS 115 2HD LYS 115 63.451 56.508 43.518 901 2HD LYS 115 1HD LYS 115 64.019 55.656 44.995 902 1HE LYS 115 2HE LYS 115 61.048 56.508 44.601 903 2HE LYS 115 1HE LYS 115 61.731 55.019 43.824 904 1HZ LYS 115 1HZ LYS 115 61.491 53.981 45.817 905 2HZ LYS 115 2HZ LYS 115 60.713 55.327 46.427 906 3HZ LYS 115 3HZ LYS 115 62.330 55.148 46.665 907 H LEU 116 H LEU 116 60.808 58.490 47.357 908 HA LEU 116 HA LEU 116 62.739 60.510 48.491 909 1HB LEU 116 2HB LEU 116 60.903 60.796 50.347 910 2HB LEU 116 1HB LEU 116 60.972 61.915 48.889 911 HG LEU 116 HG LEU 116 59.300 59.564 48.380 912 1HD1 LEU 116 1HD1 LEU 116 58.400 61.688 50.492 913 2HD1 LEU 116 2HD1 LEU 116 58.668 59.949 50.803 914 3HD1 LEU 116 3HD1 LEU 116 57.308 60.495 49.697 915 1HD2 LEU 116 1HD2 LEU 116 58.110 60.959 47.067 916 2HD2 LEU 116 2HD2 LEU 116 59.563 62.099 47.221 917 3HD2 LEU 116 3HD2 LEU 116 58.117 62.307 48.229 918 H TYR 117 H TYR 117 63.696 60.099 50.246 919 HA TYR 117 HA TYR 117 63.243 57.236 51.113 920 1HB TYR 117 2HB TYR 117 65.661 59.042 50.696 921 2HB TYR 117 1HB TYR 117 65.721 58.004 52.170 922 HD1 TYR 117 HD1 TYR 117 67.600 57.896 49.639 923 HD2 TYR 117 HD2 TYR 117 63.987 55.601 50.495 924 HE1 TYR 117 HE1 TYR 117 68.306 56.140 48.212 925 HE2 TYR 117 HE2 TYR 117 64.786 53.906 49.026 926 HH TYR 117 HH TYR 117 67.633 53.270 48.128 927 H LEU 118 H LEU 118 61.518 57.760 52.277 928 HA LEU 118 HA LEU 118 62.011 59.424 54.702 929 1HB LEU 118 2HB LEU 118 59.772 59.281 53.998 930 2HB LEU 118 1HB LEU 118 59.752 57.441 53.882 931 HG LEU 118 HG LEU 118 59.788 57.299 56.431 932 1HD1 LEU 118 1HD1 LEU 118 60.284 58.970 57.718 933 2HD1 LEU 118 2HD1 LEU 118 59.213 60.163 56.936 934 3HD1 LEU 118 3HD1 LEU 118 60.923 59.880 56.312 935 1HD2 LEU 118 1HD2 LEU 118 57.520 57.385 56.147 936 2HD2 LEU 118 2HD2 LEU 118 57.759 58.470 54.679 937 3HD2 LEU 118 3HD2 LEU 118 57.623 59.148 56.354 938 H GLU 119 H GLU 119 62.458 58.746 56.836 939 HA GLU 119 HA GLU 119 63.467 55.923 57.045 940 1HB GLU 119 2HB GLU 119 64.959 58.038 58.550 941 2HB GLU 119 1HB GLU 119 65.456 56.458 57.879 942 1HG GLU 119 2HG GLU 119 64.754 58.037 55.535 943 2HG GLU 119 1HG GLU 119 65.581 59.180 56.677 944 H LEU 120 H LEU 120 61.572 55.351 57.960 945 HA LEU 120 HA LEU 120 60.429 56.788 60.144 946 1HB LEU 120 2HB LEU 120 60.105 53.998 59.220 947 2HB LEU 120 1HB LEU 120 59.879 54.178 61.003 948 HG LEU 120 HG LEU 120 58.512 55.543 58.648 949 1HD1 LEU 120 1HD1 LEU 120 57.790 53.439 60.637 950 2HD1 LEU 120 2HD1 LEU 120 57.082 53.805 58.966 951 3HD1 LEU 120 3HD1 LEU 120 56.474 54.639 60.419 952 1HD2 LEU 120 1HD2 LEU 120 58.352 57.434 60.049 953 2HD2 LEU 120 2HD2 LEU 120 58.646 56.550 61.565 954 3HD2 LEU 120 3HD2 LEU 120 56.994 56.502 60.798 955 H THR 121 H THR 121 60.553 56.414 62.372 956 HA THR 121 HA THR 121 63.017 54.939 63.278 957 HB THR 121 HB THR 121 63.395 56.806 65.023 958 HG1 THR 121 1HG THR 121 62.009 58.276 64.996 959 1HG2 THR 121 1HG2 THR 121 64.836 58.133 63.491 960 2HG2 THR 121 2HG2 THR 121 63.671 57.915 62.104 961 3HG2 THR 121 3HG2 THR 121 64.739 56.568 62.630 962 H CYS 122 H CYS 122 60.033 54.651 63.059 963 HA CYS 122 HA CYS 122 58.712 54.789 65.512 964 1HB CYS 122 2HB CYS 122 58.811 52.722 63.208 965 2HB CYS 122 1HB CYS 122 57.644 52.528 64.524 966 HG CYS 122 HG CYS 122 57.734 55.566 63.487 967 H GLY 123 H GLY 123 59.928 54.372 67.208 968 1HA GLY 123 1HA GLY 123 60.059 52.683 69.072 969 2HA GLY 123 2HA GLY 123 60.373 51.441 67.800 970 H ASP 124 H ASP 124 61.953 50.974 69.508 971 HA ASP 124 HA ASP 124 64.369 52.534 69.997 972 1HB ASP 124 2HB ASP 124 63.590 50.381 71.287 973 2HB ASP 124 1HB ASP 124 64.244 49.453 69.828 974 H GLN 125 H GLN 125 63.268 50.225 67.688 975 HA GLN 125 HA GLN 125 65.941 50.450 66.284 976 1HB GLN 125 2HB GLN 125 63.378 48.816 65.561 977 2HB GLN 125 1HB GLN 125 64.971 48.662 64.753 978 1HG GLN 125 2HG GLN 125 65.900 48.202 67.200 979 2HG GLN 125 1HG GLN 125 64.135 47.759 67.487 980 1HE2 GLN 125 2HE2 GLN 125 66.671 47.476 65.032 981 2HE2 GLN 125 1HE2 GLN 125 66.237 45.703 64.584 982 H VAL 126 H VAL 126 65.687 50.521 63.891 983 HA VAL 126 HA VAL 126 63.954 52.853 63.185 984 HB VAL 126 HB VAL 126 66.780 52.014 62.277 985 1HG1 VAL 126 1HG1 VAL 126 65.997 54.641 61.404 986 2HG1 VAL 126 2HG1 VAL 126 64.768 53.482 60.710 987 3HG1 VAL 126 3HG1 VAL 126 66.582 53.274 60.401 988 1HG2 VAL 126 1HG2 VAL 126 66.163 53.273 64.492 989 2HG2 VAL 126 2HG2 VAL 126 65.933 54.691 63.386 990 3HG2 VAL 126 3HG2 VAL 126 67.558 53.879 63.502 991 H CYS 127 H CYS 127 62.663 52.779 61.353 992 HA CYS 127 HA CYS 127 63.025 50.397 59.483 993 1HB CYS 127 2HB CYS 127 60.314 51.809 59.743 994 2HB CYS 127 1HB CYS 127 60.676 50.088 59.620 995 HG CYS 127 HG CYS 127 59.488 50.159 61.821 996 H ARG 128 H ARG 128 63.296 50.839 57.500 997 HA ARG 128 HA ARG 128 63.331 53.812 56.859 998 1HB ARG 128 2HB ARG 128 65.285 52.678 56.194 999 2HB ARG 128 1HB ARG 128 64.383 51.260 55.494 1000 1HG ARG 128 2HG ARG 128 63.464 52.552 53.668 1001 2HG ARG 128 1HG ARG 128 64.100 54.084 54.259 1002 1HD ARG 128 2HD ARG 128 65.591 51.628 53.047 1003 2HD ARG 128 1HD ARG 128 65.620 53.430 52.563 1004 HE ARG 128 HE ARG 128 66.859 52.506 55.135 1005 1HH1 ARG 128 2HH2 ARG 128 67.319 53.930 51.810 1006 2HH1 ARG 128 1HH2 ARG 128 68.937 54.413 52.231 1007 1HH2 ARG 128 1HH1 ARG 128 69.037 53.246 55.468 1008 2HH2 ARG 128 2HH1 ARG 128 69.890 54.039 54.176 1009 H GLN 129 H GLN 129 61.691 54.777 55.937 1010 HA GLN 129 HA GLN 129 59.807 52.858 54.685 1011 1HB GLN 129 2HB GLN 129 59.728 55.905 55.092 1012 2HB GLN 129 1HB GLN 129 58.491 55.050 54.019 1013 1HG GLN 129 2HG GLN 129 58.981 54.652 56.982 1014 2HG GLN 129 1HG GLN 129 57.396 55.191 56.118 1015 1HE2 GLN 129 1HE2 GLN 129 59.351 52.757 57.464 1016 2HE2 GLN 129 2HE2 GLN 129 58.529 51.315 56.928 1017 H VAL 130 H VAL 130 59.434 52.447 52.398 1018 HA VAL 130 HA VAL 130 61.268 54.145 50.688 1019 HB VAL 130 HB VAL 130 60.045 51.382 50.136 1020 1HG1 VAL 130 1HG1 VAL 130 61.252 51.396 47.985 1021 2HG1 VAL 130 2HG1 VAL 130 62.136 52.904 48.471 1022 3HG1 VAL 130 3HG1 VAL 130 60.344 52.921 48.082 1023 1HG2 VAL 130 1HG2 VAL 130 61.992 51.568 51.776 1024 2HG2 VAL 130 2HG2 VAL 130 63.046 52.110 50.413 1025 3HG2 VAL 130 3HG2 VAL 130 62.340 50.495 50.286 1026 H PHE 131 H PHE 131 60.087 55.655 50.263 1027 HA PHE 131 HA PHE 131 57.318 55.505 49.108 1028 1HB PHE 131 2HB PHE 131 59.209 57.570 50.342 1029 2HB PHE 131 1HB PHE 131 57.777 58.079 49.265 1030 HD1 PHE 131 HD1 PHE 131 58.160 55.513 52.012 1031 HD2 PHE 131 HD2 PHE 131 56.121 58.938 50.416 1032 HE1 PHE 131 HE1 PHE 131 56.463 55.415 53.965 1033 HE2 PHE 131 HE2 PHE 131 54.542 58.815 52.245 1034 HZ PHE 131 HZ PHE 131 54.717 57.041 54.023 1035 H LYS 132 H LYS 132 56.942 55.878 47.029 1036 HA LYS 132 HA LYS 132 58.927 57.304 45.280 1037 1HB LYS 132 2HB LYS 132 59.394 54.687 45.218 1038 2HB LYS 132 1HB LYS 132 57.610 54.518 45.011 1039 1HG LYS 132 2HG LYS 132 58.246 56.157 42.837 1040 2HG LYS 132 1HG LYS 132 59.728 55.079 42.908 1041 1HD LYS 132 2HD LYS 132 58.100 54.021 41.560 1042 2HD LYS 132 1HD LYS 132 58.255 53.093 43.116 1043 1HE LYS 132 2HE LYS 132 56.040 53.361 43.547 1044 2HE LYS 132 1HE LYS 132 56.091 55.148 43.157 1045 1HZ LYS 132 1HZ LYS 132 55.476 52.868 41.436 1046 2HZ LYS 132 2HZ LYS 132 56.152 54.220 40.742 1047 3HZ LYS 132 3HZ LYS 132 54.722 54.356 41.555 1048 H LYS 133 H LYS 133 57.911 58.182 43.713 1049 HA LYS 133 HA LYS 133 55.871 57.819 42.045 1050 1HB LYS 133 2HB LYS 133 54.367 56.802 43.447 1051 2HB LYS 133 1HB LYS 133 54.615 58.112 44.700 1052 1HG LYS 133 2HG LYS 133 53.153 59.605 43.520 1053 2HG LYS 133 1HG LYS 133 53.778 58.997 41.916 1054 1HD LYS 133 2HD LYS 133 52.187 57.088 42.020 1055 2HD LYS 133 1HD LYS 133 51.762 57.601 43.740 1056 1HE LYS 133 2HE LYS 133 50.584 59.408 43.173 1057 2HE LYS 133 1HE LYS 133 51.586 59.766 41.678 1058 1HZ LYS 133 1HZ LYS 133 49.802 57.417 41.929 1059 2HZ LYS 133 2HZ LYS 133 50.508 57.999 40.535 1060 3HZ LYS 133 3HZ LYS 133 49.235 58.840 41.293 1061 H LYS 134 H LYS 134 55.201 60.134 44.581 1062 HA LYS 134 HA LYS 134 55.718 62.266 42.474 1063 1HB LYS 134 2HB LYS 134 53.332 61.602 43.953 1064 2HB LYS 134 1HB LYS 134 53.829 63.203 44.562 1065 1HG LYS 134 2HG LYS 134 52.325 63.352 42.510 1066 2HG LYS 134 1HG LYS 134 54.000 63.857 41.963 1067 1HD LYS 134 2HD LYS 134 53.885 60.978 41.905 1068 2HD LYS 134 1HD LYS 134 52.304 61.534 41.214 1069 1HE LYS 134 2HE LYS 134 54.396 63.256 40.148 1070 2HE LYS 134 1HE LYS 134 54.801 61.460 39.901 1071 1HZ LYS 134 1HZ LYS 134 52.426 63.062 39.123 1072 2HZ LYS 134 2HZ LYS 134 52.405 61.357 39.075 1073 3HZ LYS 134 3HZ LYS 134 53.419 62.176 38.099 1074 1H2 RTL 135 1H2 RET 135 46.128 51.115 58.148 1075 2H2 RTL 135 2H2 RET 135 46.332 51.476 59.787 1076 1H3 RTL 135 1H3 RET 135 46.634 49.049 59.433 1077 2H3 RTL 135 2H3 RET 135 47.745 49.268 58.202 1078 1H4 RTL 135 1H4 RET 135 49.045 48.811 60.222 1079 2H4 RTL 135 2H4 RET 135 48.091 49.867 61.192 1080 H7 RTL 135 H7 RET 135 51.176 52.542 58.599 1081 H8 RTL 135 H8 RET 135 49.276 54.566 60.018 1082 H10 RTL 135 H10 RET 135 49.934 56.492 58.076 1083 H11 RTL 135 H11 RET 135 52.788 56.872 57.744 1084 H12 RTL 135 H12 RET 135 51.161 59.089 59.170 1085 H14 RTL 135 H14 RET 135 51.816 60.806 57.205 1086 1H15 RTL 135 1H15 RET 135 54.677 61.207 56.775 1087 2H15 RTL 135 2H15 RET 135 54.077 62.264 58.089 1088 HO1 RTL 135 H51 RET 135 52.569 63.105 56.744 1089 1H16 RTL 135 1H16 RET 135 48.874 51.141 56.870 1090 2H16 RTL 135 2H16 RET 135 48.959 52.866 56.791 1091 3H16 RTL 135 3H16 RET 135 47.383 52.030 56.543 1092 1H17 RTL 135 1H17 RET 135 46.647 53.525 57.951 1093 2H17 RTL 135 2H17 RET 135 48.273 54.152 57.997 1094 3H17 RTL 135 3H17 RET 135 47.331 53.907 59.516 1095 1H18 RTL 135 1H18 RET 135 51.158 51.493 61.215 1096 2H18 RTL 135 2H18 RET 135 51.554 50.147 60.106 1097 3H18 RTL 135 3H18 RET 135 50.708 49.853 61.632 1098 1H19 RTL 135 1H19 RET 135 52.349 54.307 60.742 1099 2H19 RTL 135 2H19 RET 135 52.925 55.905 60.203 1100 3H19 RTL 135 3H19 RET 135 53.191 54.467 59.189 1101 1H20 RTL 135 1H20 RET 135 55.150 59.889 58.602 1102 2H20 RTL 135 2H20 RET 135 54.649 58.180 58.517 1103 3H20 RTL 135 3H20 RET 135 54.387 59.144 59.993 Start of MODEL 20 1 1H MET 1 1H MET 1 60.806 76.562 42.944 2 2H MET 1 2H MET 1 61.933 76.824 44.145 3 3H MET 1 3H MET 1 60.243 76.759 44.450 4 HA MET 1 HA MET 1 60.127 74.540 44.588 5 1HB MET 1 2HB MET 1 61.036 74.678 41.950 6 2HB MET 1 1HB MET 1 62.543 74.027 42.766 7 1HG MET 1 2HG MET 1 61.638 71.946 42.660 8 2HG MET 1 1HG MET 1 60.628 72.441 43.950 9 1HE MET 1 1HE MET 1 61.500 72.651 40.498 10 2HE MET 1 2HE MET 1 60.117 73.044 39.360 11 3HE MET 1 3HE MET 1 60.343 71.424 39.804 12 H THR 2 H THR 2 60.730 73.834 46.349 13 HA THR 2 HA THR 2 63.684 73.407 46.804 14 HB THR 2 HB THR 2 63.384 74.409 49.165 15 HG1 THR 2 1HG THR 2 61.081 75.553 48.025 16 1HG2 THR 2 1HG2 THR 2 64.265 75.742 46.981 17 2HG2 THR 2 2HG2 THR 2 63.595 76.839 48.247 18 3HG2 THR 2 3HG2 THR 2 62.622 76.436 46.805 19 H LYS 3 H LYS 3 60.506 73.593 48.287 20 HA LYS 3 HA LYS 3 60.969 70.783 49.328 21 1HB LYS 3 2HB LYS 3 59.063 71.363 51.022 22 2HB LYS 3 1HB LYS 3 60.707 72.047 51.352 23 1HG LYS 3 2HG LYS 3 59.596 74.112 49.853 24 2HG LYS 3 1HG LYS 3 58.138 73.328 50.576 25 1HD LYS 3 2HD LYS 3 59.474 73.462 52.843 26 2HD LYS 3 1HD LYS 3 60.693 74.431 51.882 27 1HE LYS 3 2HE LYS 3 57.842 75.338 51.688 28 2HE LYS 3 1HE LYS 3 58.649 75.494 53.330 29 1HZ LYS 3 1HZ LYS 3 60.557 76.608 52.136 30 2HZ LYS 3 2HZ LYS 3 59.197 77.510 52.063 31 3HZ LYS 3 3HZ LYS 3 59.725 76.616 50.740 32 H ASP 4 H ASP 4 58.193 72.950 48.431 33 HA ASP 4 HA ASP 4 56.127 72.427 47.749 34 1HB ASP 4 2HB ASP 4 57.631 72.541 45.632 35 2HB ASP 4 1HB ASP 4 57.688 70.689 45.727 36 H GLN 5 H GLN 5 56.075 71.135 49.875 37 HA GLN 5 HA GLN 5 56.302 68.327 49.864 38 1HB GLN 5 2HB GLN 5 54.879 70.547 51.326 39 2HB GLN 5 1HB GLN 5 54.256 68.813 51.641 40 1HG GLN 5 2HG GLN 5 57.138 69.698 51.901 41 2HG GLN 5 1HG GLN 5 55.903 69.372 53.285 42 1HE2 GLN 5 1HE2 GLN 5 58.196 68.070 53.343 43 2HE2 GLN 5 2HE2 GLN 5 57.918 66.351 52.879 44 H ASN 6 H ASN 6 53.263 70.039 49.892 45 HA ASN 6 HA ASN 6 51.182 68.570 49.366 46 1HB ASN 6 2HB ASN 6 52.110 70.755 47.327 47 2HB ASN 6 1HB ASN 6 50.479 69.949 47.229 48 1HD2 ASN 6 1HD2 ASN 6 52.542 71.844 49.302 49 2HD2 ASN 6 2HD2 ASN 6 51.077 72.573 50.265 50 H GLY 7 H GLY 7 52.149 66.479 48.926 51 1HA GLY 7 1HA GLY 7 51.725 66.034 45.982 52 2HA GLY 7 2HA GLY 7 53.285 65.499 46.693 53 H THR 8 H THR 8 52.096 63.783 45.503 54 HA THR 8 HA THR 8 50.711 62.018 47.405 55 HB THR 8 HB THR 8 50.669 61.761 44.306 56 HG1 THR 8 1HG THR 8 48.687 62.800 44.460 57 1HG2 THR 8 1HG2 THR 8 49.676 59.681 45.117 58 2HG2 THR 8 2HG2 THR 8 48.249 60.707 45.569 59 3HG2 THR 8 3HG2 THR 8 49.476 60.407 46.803 60 H TRP 9 H TRP 9 51.347 59.856 47.176 61 HA TRP 9 HA TRP 9 53.734 59.276 45.648 62 1HB TRP 9 2HB TRP 9 54.894 58.846 48.174 63 2HB TRP 9 1HB TRP 9 55.516 59.857 46.856 64 HD1 TRP 9 HD1 TRP 9 52.451 60.091 49.232 65 HE1 TRP 9 HE1 TRP 9 52.263 62.494 50.281 66 HE3 TRP 9 HE3 TRP 9 56.480 61.949 47.079 67 HZ2 TRP 9 HZ2 TRP 9 53.773 64.750 50.057 68 HZ3 TRP 9 HZ3 TRP 9 57.122 64.302 47.528 69 HH2 TRP 9 HH2 TRP 9 55.813 65.701 48.980 70 H GLU 10 H GLU 10 52.507 57.468 45.022 71 HA GLU 10 HA GLU 10 51.505 55.502 46.763 72 1HB GLU 10 2HB GLU 10 52.771 55.292 43.928 73 2HB GLU 10 1HB GLU 10 52.317 53.794 44.857 74 1HG GLU 10 2HG GLU 10 50.003 54.475 44.968 75 2HG GLU 10 1HG GLU 10 50.440 56.210 44.583 76 H MET 11 H MET 11 52.633 54.810 48.455 77 HA MET 11 HA MET 11 55.526 54.721 48.789 78 1HB MET 11 2HB MET 11 53.070 53.716 50.197 79 2HB MET 11 1HB MET 11 54.447 52.498 50.123 80 1HG MET 11 2HG MET 11 55.765 54.866 50.781 81 2HG MET 11 1HG MET 11 54.226 54.925 51.680 82 1HE MET 11 1HE MET 11 53.136 52.937 52.665 83 2HE MET 11 2HE MET 11 54.069 52.762 54.270 84 3HE MET 11 3HE MET 11 53.848 51.415 53.186 85 H GLU 12 H GLU 12 56.997 53.283 48.573 86 HA GLU 12 HA GLU 12 56.453 51.159 46.486 87 1HB GLU 12 2HB GLU 12 58.365 52.448 45.739 88 2HB GLU 12 1HB GLU 12 58.995 52.629 47.453 89 1HG GLU 12 2HG GLU 12 59.943 50.462 47.406 90 2HG GLU 12 1HG GLU 12 58.520 49.909 46.275 91 H SER 13 H SER 13 57.938 51.838 49.627 92 HA SER 13 HA SER 13 57.185 49.123 50.629 93 1HB SER 13 2HB SER 13 59.302 48.076 50.541 94 2HB SER 13 1HB SER 13 59.540 49.249 49.079 95 HG SER 13 HG SER 13 61.194 49.301 50.651 96 H ASN 14 H ASN 14 58.535 48.517 52.334 97 HA ASN 14 HA ASN 14 59.482 50.537 54.298 98 1HB ASN 14 2HB ASN 14 58.132 48.552 55.819 99 2HB ASN 14 1HB ASN 14 57.286 50.122 55.332 100 1HD2 ASN 14 1HD2 ASN 14 55.887 50.162 53.733 101 2HD2 ASN 14 2HD2 ASN 14 55.272 48.607 52.873 102 H GLU 15 H GLU 15 60.961 49.889 55.675 103 HA GLU 15 HA GLU 15 62.156 47.388 54.653 104 1HB GLU 15 2HB GLU 15 62.871 49.756 56.426 105 2HB GLU 15 1HB GLU 15 63.736 48.267 56.944 106 1HG GLU 15 2HG GLU 15 63.559 49.167 53.989 107 2HG GLU 15 1HG GLU 15 64.980 49.473 55.212 108 H ASN 16 H ASN 16 61.429 48.488 58.007 109 HA ASN 16 HA ASN 16 60.642 45.617 58.590 110 1HB ASN 16 2HB ASN 16 61.495 47.507 60.823 111 2HB ASN 16 1HB ASN 16 61.634 45.625 60.604 112 1HD2 ASN 16 2HD2 ASN 16 63.256 48.403 60.766 113 2HD2 ASN 16 1HD2 ASN 16 64.709 47.924 59.682 114 H PHE 17 H PHE 17 58.638 45.483 58.723 115 HA PHE 17 HA PHE 17 57.086 47.767 59.931 116 1HB PHE 17 2HB PHE 17 56.605 45.827 57.807 117 2HB PHE 17 1HB PHE 17 55.289 45.624 59.079 118 HD1 PHE 17 HD1 PHE 17 55.053 48.131 60.215 119 HD2 PHE 17 HD2 PHE 17 55.688 47.190 56.125 120 HE1 PHE 17 HE1 PHE 17 53.975 50.308 59.554 121 HE2 PHE 17 HE2 PHE 17 54.651 49.338 55.415 122 HZ PHE 17 HZ PHE 17 53.770 50.939 57.168 123 H GLU 18 H GLU 18 58.697 45.159 60.746 124 HA GLU 18 HA GLU 18 56.918 43.838 62.721 125 1HB GLU 18 2HB GLU 18 59.999 43.953 62.084 126 2HB GLU 18 1HB GLU 18 59.279 43.078 63.483 127 1HG GLU 18 2HG GLU 18 59.302 41.333 62.030 128 2HG GLU 18 1HG GLU 18 57.705 42.067 61.350 129 H GLY 19 H GLY 19 59.535 46.315 62.800 130 1HA GLY 19 1HA GLY 19 59.265 46.339 65.771 131 2HA GLY 19 2HA GLY 19 60.258 47.520 64.803 132 H TYR 20 H TYR 20 57.722 47.757 62.973 133 HA TYR 20 HA TYR 20 56.628 50.113 64.423 134 1HB TYR 20 2HB TYR 20 56.845 49.714 61.782 135 2HB TYR 20 1HB TYR 20 55.349 48.730 62.036 136 HD1 TYR 20 HD1 TYR 20 56.722 52.140 62.545 137 HD2 TYR 20 HD2 TYR 20 53.330 49.600 62.375 138 HE1 TYR 20 HE1 TYR 20 55.270 54.185 62.589 139 HE2 TYR 20 HE2 TYR 20 51.790 51.537 62.420 140 HH TYR 20 HH TYR 20 52.979 54.774 63.044 141 H MET 21 H MET 21 55.886 46.736 64.012 142 HA MET 21 HA MET 21 53.074 46.905 64.824 143 1HB MET 21 2HB MET 21 54.627 44.953 63.619 144 2HB MET 21 1HB MET 21 55.183 44.696 65.266 145 1HG MET 21 2HG MET 21 52.380 44.777 65.616 146 2HG MET 21 1HG MET 21 52.458 44.098 63.971 147 1HE MET 21 1HE MET 21 54.784 43.986 67.138 148 2HE MET 21 2HE MET 21 54.308 42.389 67.979 149 3HE MET 21 3HE MET 21 53.186 43.637 67.906 150 H LYS 22 H LYS 22 56.108 46.755 66.242 151 HA LYS 22 HA LYS 22 55.186 46.121 68.936 152 1HB LYS 22 2HB LYS 22 57.609 45.671 67.696 153 2HB LYS 22 1HB LYS 22 57.913 47.381 68.172 154 1HG LYS 22 2HG LYS 22 57.554 46.956 70.497 155 2HG LYS 22 1HG LYS 22 56.911 45.273 70.159 156 1HD LYS 22 2HD LYS 22 59.193 44.655 70.591 157 2HD LYS 22 1HD LYS 22 59.405 45.247 68.875 158 1HE LYS 22 2HE LYS 22 60.871 46.782 69.640 159 2HE LYS 22 1HE LYS 22 59.430 47.595 70.409 160 1HZ LYS 22 1HZ LYS 22 61.223 45.615 71.677 161 2HZ LYS 22 2HZ LYS 22 59.783 46.156 72.361 162 3HZ LYS 22 3HZ LYS 22 61.063 47.206 72.148 163 H ALA 23 H ALA 23 55.936 48.819 67.093 164 HA ALA 23 HA ALA 23 56.101 50.728 69.310 165 1HB ALA 23 1HB ALA 23 56.763 50.718 66.653 166 2HB ALA 23 2HB ALA 23 56.699 52.203 67.733 167 3HB ALA 23 3HB ALA 23 55.285 51.737 66.607 168 H LEU 24 H LEU 24 53.914 49.847 66.833 169 HA LEU 24 HA LEU 24 51.696 51.618 67.568 170 1HB LEU 24 2HB LEU 24 52.434 50.522 65.196 171 2HB LEU 24 1HB LEU 24 51.769 48.994 65.914 172 HG LEU 24 HG LEU 24 49.477 49.965 65.944 173 1HD1 LEU 24 1HD1 LEU 24 49.615 52.425 64.610 174 2HD1 LEU 24 2HD1 LEU 24 50.928 52.620 65.797 175 3HD1 LEU 24 3HD1 LEU 24 49.239 52.131 66.356 176 1HD2 LEU 24 1HD2 LEU 24 50.172 51.106 63.308 177 2HD2 LEU 24 2HD2 LEU 24 49.270 49.573 63.660 178 3HD2 LEU 24 3HD2 LEU 24 51.074 49.582 63.627 179 H ASP 25 H ASP 25 52.789 48.456 68.123 180 HA ASP 25 HA ASP 25 51.984 46.473 69.269 181 1HB ASP 25 2HB ASP 25 52.643 48.419 70.876 182 2HB ASP 25 1HB ASP 25 50.863 48.636 71.147 183 H ILE 26 H ILE 26 50.509 46.861 67.215 184 HA ILE 26 HA ILE 26 47.688 47.119 68.031 185 HB ILE 26 HB ILE 26 48.428 48.395 66.161 186 1HG1 ILE 26 2HG1 ILE 26 46.512 46.332 64.964 187 2HG1 ILE 26 1HG1 ILE 26 46.195 47.506 66.333 188 1HG2 ILE 26 1HG2 ILE 26 50.226 46.817 65.156 189 2HG2 ILE 26 2HG2 ILE 26 48.998 47.302 63.911 190 3HG2 ILE 26 3HG2 ILE 26 48.823 45.697 64.713 191 1HD1 ILE 26 1HD1 ILE 26 45.845 49.216 64.952 192 2HD1 ILE 26 2HD1 ILE 26 46.166 48.200 63.506 193 3HD1 ILE 26 3HD1 ILE 26 47.546 49.024 64.344 194 H ASP 27 H ASP 27 49.737 44.853 66.206 195 HA ASP 27 HA ASP 27 49.352 42.525 67.384 196 1HB ASP 27 2HB ASP 27 47.407 41.338 65.961 197 2HB ASP 27 1HB ASP 27 46.910 42.458 67.335 198 H PHE 28 H PHE 28 49.390 40.589 65.686 199 HA PHE 28 HA PHE 28 51.433 41.378 63.761 200 1HB PHE 28 2HB PHE 28 52.042 39.279 64.453 201 2HB PHE 28 1HB PHE 28 50.377 38.992 65.162 202 HD1 PHE 28 HD1 PHE 28 52.398 38.731 62.024 203 HD2 PHE 28 HD2 PHE 28 48.884 37.529 64.117 204 HE1 PHE 28 HE1 PHE 28 51.917 36.970 60.203 205 HE2 PHE 28 HE2 PHE 28 48.390 35.870 62.435 206 HZ PHE 28 HZ PHE 28 49.938 35.574 60.415 207 H ALA 29 H ALA 29 48.050 40.568 63.621 208 HA ALA 29 HA ALA 29 47.885 39.886 60.726 209 1HB ALA 29 1HB ALA 29 45.550 41.245 62.121 210 2HB ALA 29 2HB ALA 29 46.177 39.857 63.046 211 3HB ALA 29 3HB ALA 29 45.592 39.622 61.294 212 H THR 30 H THR 30 48.111 42.780 62.573 213 HA THR 30 HA THR 30 47.021 44.453 60.396 214 HB THR 30 HB THR 30 48.625 44.947 62.920 215 HG1 THR 30 1HG THR 30 46.421 44.381 63.043 216 1HG2 THR 30 1HG2 THR 30 47.526 47.440 62.339 217 2HG2 THR 30 2HG2 THR 30 47.590 46.738 60.658 218 3HG2 THR 30 3HG2 THR 30 49.134 46.908 61.597 219 H ARG 31 H ARG 31 50.123 43.801 61.692 220 HA ARG 31 HA ARG 31 51.781 45.466 60.003 221 1HB ARG 31 2HB ARG 31 52.876 45.022 61.914 222 2HB ARG 31 1HB ARG 31 51.987 43.493 62.211 223 1HG ARG 31 2HG ARG 31 54.174 43.629 59.995 224 2HG ARG 31 1HG ARG 31 54.616 43.456 61.775 225 1HD ARG 31 2HD ARG 31 52.884 41.516 61.762 226 2HD ARG 31 1HD ARG 31 52.952 41.564 59.944 227 HE ARG 31 HE ARG 31 54.892 40.566 59.901 228 1HH1 ARG 31 2HH2 ARG 31 54.537 41.900 63.156 229 2HH1 ARG 31 1HH2 ARG 31 56.019 41.156 63.832 230 1HH2 ARG 31 2HH1 ARG 31 56.729 39.632 60.612 231 2HH2 ARG 31 1HH1 ARG 31 57.357 39.779 62.271 232 H LYS 32 H LYS 32 50.465 42.182 59.630 233 HA LYS 32 HA LYS 32 52.475 41.485 57.707 234 1HB LYS 32 2HB LYS 32 51.549 39.691 58.736 235 2HB LYS 32 1HB LYS 32 49.900 40.474 58.866 236 1HG LYS 32 2HG LYS 32 50.629 39.818 56.015 237 2HG LYS 32 1HG LYS 32 50.570 38.385 57.088 238 1HD LYS 32 2HD LYS 32 48.302 38.603 57.576 239 2HD LYS 32 1HD LYS 32 48.407 40.412 57.623 240 1HE LYS 32 2HE LYS 32 48.308 40.664 55.285 241 2HE LYS 32 1HE LYS 32 48.667 38.899 54.978 242 1HZ LYS 32 1HZ LYS 32 46.497 38.713 56.464 243 2HZ LYS 32 2HZ LYS 32 46.399 38.895 54.798 244 3HZ LYS 32 3HZ LYS 32 46.270 40.229 55.810 245 H ILE 33 H ILE 33 49.405 43.071 57.718 246 HA ILE 33 HA ILE 33 49.092 42.867 54.780 247 HB ILE 33 HB ILE 33 47.752 45.102 56.316 248 1HG1 ILE 33 2HG1 ILE 33 47.009 42.080 56.434 249 2HG1 ILE 33 1HG1 ILE 33 47.441 43.275 57.782 250 1HG2 ILE 33 1HG2 ILE 33 46.041 43.382 54.606 251 2HG2 ILE 33 2HG2 ILE 33 47.523 43.863 53.725 252 3HG2 ILE 33 3HG2 ILE 33 46.394 45.167 54.339 253 1HD1 ILE 33 1HD1 ILE 33 45.270 44.503 56.623 254 2HD1 ILE 33 2HD1 ILE 33 45.132 43.267 57.973 255 3HD1 ILE 33 3HD1 ILE 33 44.866 42.798 56.217 256 H ALA 34 H ALA 34 50.083 45.241 57.194 257 HA ALA 34 HA ALA 34 50.613 47.511 55.416 258 1HB ALA 34 1HB ALA 34 52.346 47.193 57.842 259 2HB ALA 34 2HB ALA 34 50.569 46.970 58.163 260 3HB ALA 34 3HB ALA 34 51.142 48.496 57.412 261 H VAL 35 H VAL 35 52.318 44.688 56.550 262 HA VAL 35 HA VAL 35 54.994 45.332 56.179 263 HB VAL 35 HB VAL 35 53.348 42.879 56.337 264 1HG1 VAL 35 1HG1 VAL 35 56.051 42.785 54.753 265 2HG1 VAL 35 2HG1 VAL 35 54.420 42.253 54.151 266 3HG1 VAL 35 3HG1 VAL 35 55.281 41.359 55.464 267 1HG2 VAL 35 1HG2 VAL 35 54.995 44.008 58.031 268 2HG2 VAL 35 2HG2 VAL 35 56.290 43.190 57.050 269 3HG2 VAL 35 3HG2 VAL 35 54.992 42.162 57.857 270 H ARG 36 H ARG 36 52.638 44.190 53.963 271 HA ARG 36 HA ARG 36 54.603 44.275 51.652 272 1HB ARG 36 2HB ARG 36 53.597 42.528 50.606 273 2HB ARG 36 1HB ARG 36 53.250 42.141 52.339 274 1HG ARG 36 2HG ARG 36 51.062 43.755 50.914 275 2HG ARG 36 1HG ARG 36 51.359 42.044 50.397 276 1HD ARG 36 2HD ARG 36 51.347 41.474 52.916 277 2HD ARG 36 1HD ARG 36 50.608 43.073 53.201 278 HE ARG 36 HE ARG 36 48.661 42.443 51.977 279 1HH1 ARG 36 1HH2 ARG 36 51.262 39.944 51.644 280 2HH1 ARG 36 2HH2 ARG 36 50.183 38.808 50.853 281 1HH2 ARG 36 1HH1 ARG 36 47.336 40.962 50.967 282 2HH2 ARG 36 2HH1 ARG 36 47.972 39.369 50.478 283 H LEU 37 H LEU 37 51.425 45.378 52.797 284 HA LEU 37 HA LEU 37 50.458 46.288 50.333 285 1HB LEU 37 2HB LEU 37 50.087 47.260 53.294 286 2HB LEU 37 1HB LEU 37 49.662 48.382 51.953 287 HG LEU 37 HG LEU 37 47.875 46.731 52.866 288 1HD1 LEU 37 1HD1 LEU 37 48.491 47.724 49.989 289 2HD1 LEU 37 2HD1 LEU 37 47.466 48.408 51.333 290 3HD1 LEU 37 3HD1 LEU 37 46.905 46.916 50.452 291 1HD2 LEU 37 1HD2 LEU 37 49.560 44.754 51.872 292 2HD2 LEU 37 2HD2 LEU 37 48.620 45.165 50.339 293 3HD2 LEU 37 3HD2 LEU 37 47.773 44.574 51.822 294 H THR 38 H THR 38 51.393 47.426 48.824 295 HA THR 38 HA THR 38 53.629 49.111 49.151 296 HB THR 38 HB THR 38 51.791 50.187 47.197 297 HG1 THR 38 1HG THR 38 50.729 48.494 46.763 298 1HG2 THR 38 1HG2 THR 38 53.529 48.606 45.721 299 2HG2 THR 38 2HG2 THR 38 54.478 48.575 47.263 300 3HG2 THR 38 3HG2 THR 38 54.074 50.141 46.455 301 H GLN 39 H GLN 39 50.317 50.438 48.733 302 HA GLN 39 HA GLN 39 49.130 51.804 50.100 303 1HB GLN 39 2HB GLN 39 51.135 51.220 51.906 304 2HB GLN 39 1HB GLN 39 51.486 52.978 51.494 305 1HG GLN 39 2HG GLN 39 49.065 53.459 51.985 306 2HG GLN 39 1HG GLN 39 48.850 51.677 52.488 307 1HE2 GLN 39 1HE2 GLN 39 50.759 50.948 53.743 308 2HE2 GLN 39 2HE2 GLN 39 51.162 51.877 55.209 309 H THR 40 H THR 40 48.636 53.717 50.161 310 HA THR 40 HA THR 40 50.132 55.637 48.424 311 HB THR 40 HB THR 40 47.059 55.679 48.689 312 HG1 THR 40 1HG THR 40 48.551 54.433 46.613 313 1HG2 THR 40 1HG2 THR 40 47.989 57.791 47.878 314 2HG2 THR 40 2HG2 THR 40 47.586 56.912 46.352 315 3HG2 THR 40 3HG2 THR 40 49.309 56.943 46.971 316 H LYS 41 H LYS 41 50.161 57.802 48.903 317 HA LYS 41 HA LYS 41 48.754 58.619 51.477 318 1HB LYS 41 2HB LYS 41 51.067 57.454 51.974 319 2HB LYS 41 1HB LYS 41 51.775 58.723 50.878 320 1HG LYS 41 2HG LYS 41 50.046 59.549 53.249 321 2HG LYS 41 1HG LYS 41 51.745 58.928 53.536 322 1HD LYS 41 2HD LYS 41 51.847 60.725 51.294 323 2HD LYS 41 1HD LYS 41 50.838 61.604 52.555 324 1HE LYS 41 2HE LYS 41 53.675 60.485 52.752 325 2HE LYS 41 1HE LYS 41 53.210 62.234 52.656 326 1HZ LYS 41 1HZ LYS 41 53.318 60.475 54.928 327 2HZ LYS 41 2HZ LYS 41 51.767 61.181 54.731 328 3HZ LYS 41 3HZ LYS 41 53.112 62.151 54.852 329 H ILE 42 H ILE 42 48.818 60.919 51.888 330 HA ILE 42 HA ILE 42 50.334 62.467 49.913 331 HB ILE 42 HB ILE 42 48.975 61.896 48.178 332 1HG1 ILE 42 2HG1 ILE 42 47.259 64.170 49.409 333 2HG1 ILE 42 1HG1 ILE 42 48.768 64.455 48.446 334 1HG2 ILE 42 1HG2 ILE 42 47.370 60.496 48.769 335 2HG2 ILE 42 2HG2 ILE 42 46.273 61.915 48.832 336 3HG2 ILE 42 3HG2 ILE 42 47.000 61.248 50.341 337 1HD1 ILE 42 1HD1 ILE 42 46.199 64.349 47.425 338 2HD1 ILE 42 2HD1 ILE 42 46.776 62.667 47.107 339 3HD1 ILE 42 3HD1 ILE 42 47.681 64.127 46.431 340 H ILE 43 H ILE 43 50.947 64.066 50.843 341 HA ILE 43 HA ILE 43 49.540 65.531 53.005 342 HB ILE 43 HB ILE 43 51.969 66.145 51.341 343 1HG1 ILE 43 2HG1 ILE 43 52.241 64.485 53.949 344 2HG1 ILE 43 1HG1 ILE 43 51.940 63.608 52.385 345 1HG2 ILE 43 1HG2 ILE 43 51.043 66.568 54.230 346 2HG2 ILE 43 2HG2 ILE 43 51.560 67.825 53.013 347 3HG2 ILE 43 3HG2 ILE 43 52.842 66.790 53.793 348 1HD1 ILE 43 1HD1 ILE 43 53.894 65.607 51.809 349 2HD1 ILE 43 2HD1 ILE 43 54.270 63.821 52.042 350 3HD1 ILE 43 3HD1 ILE 43 54.414 64.932 53.385 351 H VAL 44 H VAL 44 49.437 67.798 52.926 352 HA VAL 44 HA VAL 44 49.413 69.077 50.198 353 HB VAL 44 HB VAL 44 47.370 67.672 50.346 354 1HG1 VAL 44 1HG1 VAL 44 47.100 68.834 52.864 355 2HG1 VAL 44 2HG1 VAL 44 45.850 67.824 51.959 356 3HG1 VAL 44 3HG1 VAL 44 45.737 69.587 51.878 357 1HG2 VAL 44 1HG2 VAL 44 47.085 70.773 49.839 358 2HG2 VAL 44 2HG2 VAL 44 45.718 69.628 49.750 359 3HG2 VAL 44 3HG2 VAL 44 47.080 69.422 48.612 360 H GLN 45 H GLN 45 50.705 69.673 52.645 361 HA GLN 45 HA GLN 45 49.477 71.607 54.308 362 1HB GLN 45 2HB GLN 45 51.527 71.724 55.118 363 2HB GLN 45 1HB GLN 45 52.114 70.532 53.866 364 1HG GLN 45 2HG GLN 45 52.351 72.715 52.324 365 2HG GLN 45 1HG GLN 45 52.152 73.629 53.937 366 1HE2 GLN 45 1HE2 GLN 45 54.173 74.392 53.303 367 2HE2 GLN 45 2HE2 GLN 45 55.706 73.314 53.682 368 H ASP 46 H ASP 46 49.800 73.623 54.672 369 HA ASP 46 HA ASP 46 49.490 75.210 52.167 370 1HB ASP 46 2HB ASP 46 48.137 75.222 54.910 371 2HB ASP 46 1HB ASP 46 48.284 76.853 54.070 372 H GLY 47 H GLY 47 50.952 75.093 55.271 373 1HA GLY 47 1HA GLY 47 53.362 76.424 54.604 374 2HA GLY 47 2HA GLY 47 52.250 77.772 55.129 375 H ASP 48 H ASP 48 50.976 76.021 56.998 376 HA ASP 48 HA ASP 48 53.078 75.350 59.017 377 1HB ASP 48 2HB ASP 48 52.343 77.922 59.003 378 2HB ASP 48 1HB ASP 48 50.762 77.255 59.767 379 H ASN 49 H ASN 49 51.328 73.793 57.636 380 HA ASN 49 HA ASN 49 50.336 71.988 59.554 381 1HB ASN 49 2HB ASN 49 47.756 72.468 59.127 382 2HB ASN 49 1HB ASN 49 48.609 73.564 60.376 383 1HD2 ASN 49 2HD2 ASN 49 46.355 74.291 59.545 384 2HD2 ASN 49 1HD2 ASN 49 46.493 75.677 58.263 385 H PHE 50 H PHE 50 50.350 70.292 58.588 386 HA PHE 50 HA PHE 50 49.362 70.163 55.772 387 1HB PHE 50 2HB PHE 50 50.813 68.015 55.620 388 2HB PHE 50 1HB PHE 50 51.624 69.609 55.530 389 HD1 PHE 50 HD1 PHE 50 50.702 66.952 58.063 390 HD2 PHE 50 HD2 PHE 50 53.156 70.304 56.889 391 HE1 PHE 50 HE1 PHE 50 52.204 66.585 60.104 392 HE2 PHE 50 HE2 PHE 50 54.641 69.934 58.922 393 HZ PHE 50 HZ PHE 50 54.084 68.086 60.422 394 H LYS 51 H LYS 51 48.552 68.121 54.962 395 HA LYS 51 HA LYS 51 47.203 66.554 57.088 396 1HB LYS 51 2HB LYS 51 46.041 68.772 56.022 397 2HB LYS 51 1HB LYS 51 45.559 67.587 54.741 398 1HG LYS 51 2HG LYS 51 44.968 67.407 57.817 399 2HG LYS 51 1HG LYS 51 43.772 67.742 56.456 400 1HD LYS 51 2HD LYS 51 44.544 65.605 55.415 401 2HD LYS 51 1HD LYS 51 45.377 65.231 57.027 402 1HE LYS 51 2HE LYS 51 43.376 64.290 57.596 403 2HE LYS 51 1HE LYS 51 42.785 66.030 57.718 404 1HZ LYS 51 1HZ LYS 51 41.307 64.732 56.274 405 2HZ LYS 51 2HZ LYS 51 42.606 64.104 55.427 406 3HZ LYS 51 3HZ LYS 51 42.194 65.721 55.290 407 H THR 52 H THR 52 47.929 64.688 56.718 408 HA THR 52 HA THR 52 47.870 63.693 53.864 409 HB THR 52 HB THR 52 50.102 63.820 54.455 410 HG1 THR 52 1HG THR 52 49.379 61.908 53.732 411 1HG2 THR 52 1HG2 THR 52 49.071 63.060 57.277 412 2HG2 THR 52 2HG2 THR 52 50.366 64.268 56.808 413 3HG2 THR 52 3HG2 THR 52 50.746 62.526 56.830 414 H LYS 53 H LYS 53 46.784 61.943 53.356 415 HA LYS 53 HA LYS 53 45.776 60.278 55.667 416 1HB LYS 53 2HB LYS 53 44.416 60.338 52.850 417 2HB LYS 53 1HB LYS 53 43.750 59.828 54.483 418 1HG LYS 53 2HG LYS 53 42.743 61.818 54.097 419 2HG LYS 53 1HG LYS 53 44.172 62.308 55.152 420 1HD LYS 53 2HD LYS 53 45.200 63.450 53.565 421 2HD LYS 53 1HD LYS 53 44.577 62.321 52.210 422 1HE LYS 53 2HE LYS 53 42.435 63.951 53.526 423 2HE LYS 53 1HE LYS 53 43.594 64.981 52.590 424 1HZ LYS 53 1HZ LYS 53 42.262 64.377 50.927 425 2HZ LYS 53 2HZ LYS 53 41.710 63.005 51.622 426 3HZ LYS 53 3HZ LYS 53 43.165 62.918 50.905 427 H THR 54 H THR 54 45.149 58.129 54.773 428 HA THR 54 HA THR 54 47.428 57.102 53.048 429 HB THR 54 HB THR 54 47.773 55.131 54.325 430 HG1 THR 54 1HG THR 54 46.678 56.055 56.645 431 1HG2 THR 54 1HG2 THR 54 48.291 57.930 55.275 432 2HG2 THR 54 2HG2 THR 54 49.436 56.497 55.051 433 3HG2 THR 54 3HG2 THR 54 48.573 56.690 56.577 434 H ASN 55 H ASN 55 46.990 54.694 52.447 435 HA ASN 55 HA ASN 55 44.092 53.954 52.260 436 1HB ASN 55 2HB ASN 55 44.883 55.539 50.266 437 2HB ASN 55 1HB ASN 55 45.483 53.872 49.605 438 1HD2 ASN 55 2HD2 ASN 55 42.937 55.284 51.484 439 2HD2 ASN 55 1HD2 ASN 55 41.497 54.443 50.561 440 H SER 56 H SER 56 45.625 52.922 53.750 441 HA SER 56 HA SER 56 47.286 50.646 53.112 442 1HB SER 56 2HB SER 56 46.766 50.063 55.574 443 2HB SER 56 1HB SER 56 46.902 51.936 55.318 444 HG SER 56 HG SER 56 45.009 52.043 55.961 445 H THR 57 H THR 57 43.956 51.204 53.673 446 HA THR 57 HA THR 57 42.069 50.055 52.856 447 HB THR 57 HB THR 57 43.891 48.539 51.415 448 HG1 THR 57 1HG THR 57 42.128 48.193 50.395 449 1HG2 THR 57 1HG2 THR 57 42.513 46.749 53.530 450 2HG2 THR 57 2HG2 THR 57 44.250 46.711 53.071 451 3HG2 THR 57 3HG2 THR 57 43.076 46.112 51.902 452 H PHE 58 H PHE 58 44.413 48.010 54.598 453 HA PHE 58 HA PHE 58 42.707 46.866 56.569 454 1HB PHE 58 2HB PHE 58 45.265 46.378 56.349 455 2HB PHE 58 1HB PHE 58 45.523 47.969 57.129 456 HD1 PHE 58 HD1 PHE 58 45.679 47.958 59.537 457 HD2 PHE 58 HD2 PHE 58 43.499 44.867 57.527 458 HE1 PHE 58 HE1 PHE 58 45.327 46.874 61.718 459 HE2 PHE 58 HE2 PHE 58 43.151 43.760 59.772 460 HZ PHE 58 HZ PHE 58 44.017 44.719 61.804 461 H ARG 59 H ARG 59 44.576 49.820 56.832 462 HA ARG 59 HA ARG 59 42.427 50.791 58.858 463 1HB ARG 59 2HB ARG 59 44.914 49.760 59.729 464 2HB ARG 59 1HB ARG 59 45.078 51.583 59.814 465 1HG ARG 59 2HG ARG 59 44.168 50.680 61.907 466 2HG ARG 59 1HG ARG 59 42.888 51.701 61.014 467 1HD ARG 59 2HD ARG 59 41.530 49.952 60.696 468 2HD ARG 59 1HD ARG 59 42.885 48.792 60.480 469 HE ARG 59 HE ARG 59 43.278 49.363 63.062 470 1HH1 ARG 59 1HH2 ARG 59 40.202 48.721 61.279 471 2HH1 ARG 59 2HH2 ARG 59 39.415 48.055 62.670 472 1HH2 ARG 59 2HH1 ARG 59 42.069 48.423 64.873 473 2HH2 ARG 59 1HH1 ARG 59 40.407 47.869 64.688 474 H ASN 60 H ASN 60 41.703 52.398 57.916 475 HA ASN 60 HA ASN 60 43.358 54.279 56.434 476 1HB ASN 60 2HB ASN 60 40.889 54.113 56.003 477 2HB ASN 60 1HB ASN 60 40.531 54.598 57.753 478 1HD2 ASN 60 2HD2 ASN 60 40.647 56.703 58.366 479 2HD2 ASN 60 1HD2 ASN 60 40.977 57.979 57.204 480 H TYR 61 H TYR 61 44.486 55.796 57.106 481 HA TYR 61 HA TYR 61 43.910 57.041 59.716 482 1HB TYR 61 2HB TYR 61 45.035 55.063 60.427 483 2HB TYR 61 1HB TYR 61 46.348 55.203 59.179 484 HD1 TYR 61 HD1 TYR 61 48.349 55.403 60.410 485 HD2 TYR 61 HD2 TYR 61 44.889 57.721 61.595 486 HE1 TYR 61 HE1 TYR 61 49.765 56.509 62.007 487 HE2 TYR 61 HE2 TYR 61 46.329 58.885 63.249 488 HH TYR 61 HH TYR 61 48.291 58.831 64.327 489 H ASP 62 H ASP 62 44.569 59.011 59.902 490 HA ASP 62 HA ASP 62 46.397 60.202 57.871 491 1HB ASP 62 2HB ASP 62 45.140 62.264 58.088 492 2HB ASP 62 1HB ASP 62 43.882 60.869 58.043 493 H LEU 63 H LEU 63 47.506 62.237 58.506 494 HA LEU 63 HA LEU 63 48.333 62.081 61.352 495 1HB LEU 63 2HB LEU 63 49.807 61.219 59.113 496 2HB LEU 63 1HB LEU 63 50.507 62.866 59.374 497 HG LEU 63 HG LEU 63 51.784 61.153 60.699 498 1HD1 LEU 63 1HD1 LEU 63 51.524 63.305 61.904 499 2HD1 LEU 63 2HD1 LEU 63 51.229 61.888 63.032 500 3HD1 LEU 63 3HD1 LEU 63 49.859 62.898 62.422 501 1HD2 LEU 63 1HD2 LEU 63 49.327 60.459 62.277 502 2HD2 LEU 63 2HD2 LEU 63 50.784 59.487 61.847 503 3HD2 LEU 63 3HD2 LEU 63 49.494 59.718 60.572 504 H ASP 64 H ASP 64 46.495 63.996 60.086 505 HA ASP 64 HA ASP 64 47.469 66.492 59.353 506 1HB ASP 64 2HB ASP 64 45.349 67.025 59.716 507 2HB ASP 64 1HB ASP 64 45.038 65.293 60.348 508 H PHE 65 H PHE 65 48.535 68.213 60.245 509 HA PHE 65 HA PHE 65 48.658 68.752 63.042 510 1HB PHE 65 2HB PHE 65 50.076 66.617 63.115 511 2HB PHE 65 1HB PHE 65 50.987 67.242 61.694 512 HD1 PHE 65 HD1 PHE 65 53.210 67.607 62.352 513 HD2 PHE 65 HD2 PHE 65 49.820 68.862 64.799 514 HE1 PHE 65 HE1 PHE 65 54.751 68.725 63.901 515 HE2 PHE 65 HE2 PHE 65 51.456 69.976 66.346 516 HZ PHE 65 HZ PHE 65 53.864 69.910 65.894 517 H THR 66 H THR 66 49.605 70.513 63.494 518 HA THR 66 HA THR 66 50.212 72.540 61.427 519 HB THR 66 HB THR 66 50.850 72.816 64.371 520 HG1 THR 66 1HG THR 66 48.719 72.797 64.887 521 1HG2 THR 66 1HG2 THR 66 49.136 74.323 62.154 522 2HG2 THR 66 2HG2 THR 66 50.673 74.904 62.985 523 3HG2 THR 66 3HG2 THR 66 49.137 74.810 63.915 524 H VAL 67 H VAL 67 52.116 73.570 61.139 525 HA VAL 67 HA VAL 67 54.476 71.775 61.728 526 HB VAL 67 HB VAL 67 54.402 74.437 60.171 527 1HG1 VAL 67 1HG1 VAL 67 56.578 73.351 61.213 528 2HG1 VAL 67 2HG1 VAL 67 56.581 74.072 59.565 529 3HG1 VAL 67 3HG1 VAL 67 56.442 72.241 59.761 530 1HG2 VAL 67 1HG2 VAL 67 54.960 72.049 58.564 531 2HG2 VAL 67 2HG2 VAL 67 53.570 73.176 58.421 532 3HG2 VAL 67 3HG2 VAL 67 53.520 71.683 59.546 533 H GLY 68 H GLY 68 55.267 71.692 63.537 534 1HA GLY 68 1HA GLY 68 56.655 72.435 65.210 535 2HA GLY 68 2HA GLY 68 56.589 74.138 64.551 536 H VAL 69 H VAL 69 53.404 73.301 64.867 537 HA VAL 69 HA VAL 69 53.396 74.444 67.647 538 HB VAL 69 HB VAL 69 51.013 74.276 65.698 539 1HG1 VAL 69 1HG1 VAL 69 51.246 75.339 68.259 540 2HG1 VAL 69 2HG1 VAL 69 49.983 75.756 67.028 541 3HG1 VAL 69 3HG1 VAL 69 51.492 76.757 67.112 542 1HG2 VAL 69 1HG2 VAL 69 52.558 75.244 64.155 543 2HG2 VAL 69 2HG2 VAL 69 53.364 76.185 65.447 544 3HG2 VAL 69 3HG2 VAL 69 51.709 76.680 64.864 545 H GLU 70 H GLU 70 53.776 72.646 68.524 546 HA GLU 70 HA GLU 70 52.824 70.114 68.107 547 1HB GLU 70 2HB GLU 70 52.455 70.696 71.006 548 2HB GLU 70 1HB GLU 70 53.616 69.559 70.125 549 1HG GLU 70 2HG GLU 70 55.142 71.294 69.629 550 2HG GLU 70 1HG GLU 70 54.119 72.524 70.578 551 H PHE 71 H PHE 71 51.357 68.843 68.379 552 HA PHE 71 HA PHE 71 48.751 69.931 69.468 553 1HB PHE 71 2HB PHE 71 48.677 70.312 67.043 554 2HB PHE 71 1HB PHE 71 48.943 68.535 66.691 555 HD1 PHE 71 HD1 PHE 71 46.449 70.969 68.024 556 HD2 PHE 71 HD2 PHE 71 47.286 66.939 67.036 557 HE1 PHE 71 HE1 PHE 71 44.103 70.500 68.186 558 HE2 PHE 71 HE2 PHE 71 44.870 66.351 67.173 559 HZ PHE 71 HZ PHE 71 43.174 68.208 67.780 560 H ASP 72 H ASP 72 48.232 68.682 71.012 561 HA ASP 72 HA ASP 72 48.842 65.922 71.392 562 1HB ASP 72 2HB ASP 72 47.983 67.434 73.148 563 2HB ASP 72 1HB ASP 72 46.343 67.585 72.261 564 H GLU 73 H GLU 73 48.515 64.764 69.569 565 HA GLU 73 HA GLU 73 45.668 64.293 68.607 566 1HB GLU 73 2HB GLU 73 48.250 64.784 67.389 567 2HB GLU 73 1HB GLU 73 47.855 63.075 67.045 568 1HG GLU 73 2HG GLU 73 45.362 64.396 66.667 569 2HG GLU 73 1HG GLU 73 46.715 65.484 65.906 570 H HIS 74 H HIS 74 45.318 62.040 68.010 571 HA HIS 74 HA HIS 74 46.877 60.046 69.583 572 1HB HIS 74 2HB HIS 74 45.046 59.393 70.996 573 2HB HIS 74 1HB HIS 74 45.150 61.232 71.077 574 HD1 HIS 74 HD1 HIS 74 43.231 62.596 69.831 575 HD2 HIS 74 HD2 HIS 74 43.068 58.374 69.627 576 HE1 HIS 74 HE1 HIS 74 40.916 61.969 68.844 577 HE2 HIS 74 HE2 HIS 74 40.803 59.453 68.720 578 H THR 75 H THR 75 46.701 58.082 69.054 579 HA THR 75 HA THR 75 45.410 57.526 66.469 580 HB THR 75 HB THR 75 46.880 55.561 66.486 581 HG1 THR 75 1HG THR 75 47.755 54.919 68.232 582 1HG2 THR 75 1HG2 THR 75 47.913 58.435 67.021 583 2HG2 THR 75 2HG2 THR 75 48.439 57.319 65.739 584 3HG2 THR 75 3HG2 THR 75 49.204 57.243 67.387 585 H LYS 76 H LYS 76 43.411 57.477 67.987 586 HA LYS 76 HA LYS 76 43.085 54.762 69.299 587 1HB LYS 76 2HB LYS 76 41.317 57.267 69.256 588 2HB LYS 76 1HB LYS 76 40.725 55.596 69.738 589 1HG LYS 76 2HG LYS 76 43.374 56.054 70.911 590 2HG LYS 76 1HG LYS 76 42.289 57.478 71.248 591 1HD LYS 76 2HD LYS 76 41.478 54.575 71.685 592 2HD LYS 76 1HD LYS 76 42.239 55.592 73.014 593 1HE LYS 76 2HE LYS 76 40.132 57.122 71.663 594 2HE LYS 76 1HE LYS 76 39.422 55.504 72.119 595 1HZ LYS 76 1HZ LYS 76 40.068 55.828 74.341 596 2HZ LYS 76 2HZ LYS 76 39.175 57.174 73.905 597 3HZ LYS 76 3HZ LYS 76 40.812 57.282 74.060 598 H GLY 77 H GLY 77 42.855 56.153 66.425 599 1HA GLY 77 1HA GLY 77 40.516 54.679 65.411 600 2HA GLY 77 2HA GLY 77 41.615 55.794 64.432 601 H LEU 78 H LEU 78 43.654 54.114 66.098 602 HA LEU 78 HA LEU 78 43.855 51.882 64.023 603 1HB LEU 78 2HB LEU 78 45.686 54.061 64.663 604 2HB LEU 78 1HB LEU 78 46.442 52.552 65.283 605 HG LEU 78 HG LEU 78 45.134 52.790 62.489 606 1HD1 LEU 78 1HD1 LEU 78 47.461 54.251 63.346 607 2HD1 LEU 78 2HD1 LEU 78 46.722 54.051 61.694 608 3HD1 LEU 78 3HD1 LEU 78 47.977 52.881 62.239 609 1HD2 LEU 78 1HD2 LEU 78 45.621 50.503 63.343 610 2HD2 LEU 78 2HD2 LEU 78 47.357 50.893 63.613 611 3HD2 LEU 78 3HD2 LEU 78 46.696 50.929 61.928 612 H ASP 79 H ASP 79 45.595 52.652 67.041 613 HA ASP 79 HA ASP 79 44.715 49.985 68.048 614 1HB ASP 79 2HB ASP 79 46.974 49.519 67.701 615 2HB ASP 79 1HB ASP 79 47.490 51.303 68.052 616 H GLY 80 H GLY 80 45.937 53.254 68.877 617 1HA GLY 80 1HA GLY 80 44.998 54.638 70.467 618 2HA GLY 80 2HA GLY 80 44.400 53.133 71.406 619 H ARG 81 H ARG 81 46.821 55.448 70.501 620 HA ARG 81 HA ARG 81 48.504 54.443 72.807 621 1HB ARG 81 2HB ARG 81 49.399 55.554 70.069 622 2HB ARG 81 1HB ARG 81 50.571 55.220 71.477 623 1HG ARG 81 2HG ARG 81 50.115 52.885 71.451 624 2HG ARG 81 1HG ARG 81 48.573 53.099 70.552 625 1HD ARG 81 2HD ARG 81 51.316 53.744 69.317 626 2HD ARG 81 1HD ARG 81 50.589 52.110 69.142 627 HE ARG 81 HE ARG 81 48.607 53.161 68.108 628 1HH1 ARG 81 1HH1 ARG 81 51.857 54.834 67.819 629 2HH1 ARG 81 2HH1 ARG 81 51.359 55.583 66.302 630 1HH2 ARG 81 2HH2 ARG 81 48.159 54.210 66.147 631 2HH2 ARG 81 1HH2 ARG 81 49.325 55.255 65.388 632 H ASN 82 H ASN 82 47.343 57.380 71.102 633 HA ASN 82 HA ASN 82 47.221 59.508 71.778 634 1HB ASN 82 2HB ASN 82 46.759 59.985 73.984 635 2HB ASN 82 1HB ASN 82 46.827 58.152 74.187 636 1HD2 ASN 82 1HD2 ASN 82 48.934 61.093 74.199 637 2HD2 ASN 82 2HD2 ASN 82 49.981 60.482 75.453 638 H VAL 83 H VAL 83 48.367 61.104 71.289 639 HA VAL 83 HA VAL 83 51.262 61.085 72.053 640 HB VAL 83 HB VAL 83 52.097 61.024 69.872 641 1HG1 VAL 83 1HG1 VAL 83 49.322 59.699 69.535 642 2HG1 VAL 83 2HG1 VAL 83 50.734 58.886 70.239 643 3HG1 VAL 83 3HG1 VAL 83 50.729 59.383 68.480 644 1HG2 VAL 83 1HG2 VAL 83 50.608 61.514 67.783 645 2HG2 VAL 83 2HG2 VAL 83 51.105 62.908 68.768 646 3HG2 VAL 83 3HG2 VAL 83 49.416 62.271 68.945 647 H LYS 84 H LYS 84 52.386 62.862 71.086 648 HA LYS 84 HA LYS 84 51.004 65.520 71.100 649 1HB LYS 84 2HB LYS 84 53.268 64.793 72.999 650 2HB LYS 84 1HB LYS 84 52.589 66.468 72.726 651 1HG LYS 84 2HG LYS 84 51.418 65.727 74.656 652 2HG LYS 84 1HG LYS 84 50.268 65.380 73.236 653 1HD LYS 84 2HD LYS 84 50.230 63.159 73.886 654 2HD LYS 84 1HD LYS 84 52.014 63.135 73.536 655 1HE LYS 84 2HE LYS 84 51.428 62.493 75.992 656 2HE LYS 84 1HE LYS 84 52.550 63.959 75.781 657 1HZ LYS 84 1HZ LYS 84 49.699 64.557 75.808 658 2HZ LYS 84 2HZ LYS 84 50.949 65.297 76.568 659 3HZ LYS 84 3HZ LYS 84 50.238 63.915 77.251 660 H THR 85 H THR 85 51.473 65.070 69.041 661 HA THR 85 HA THR 85 53.889 64.803 67.615 662 HB THR 85 HB THR 85 51.143 65.954 67.245 663 HG1 THR 85 1HG THR 85 51.461 63.975 65.867 664 1HG2 THR 85 1HG2 THR 85 52.426 67.137 65.478 665 2HG2 THR 85 2HG2 THR 85 51.901 65.609 64.661 666 3HG2 THR 85 3HG2 THR 85 53.622 65.753 65.316 667 H LEU 86 H LEU 86 55.262 65.880 66.692 668 HA LEU 86 HA LEU 86 55.283 68.771 66.488 669 1HB LEU 86 2HB LEU 86 55.920 68.475 68.929 670 2HB LEU 86 1HB LEU 86 57.374 67.493 68.303 671 HG LEU 86 HG LEU 86 57.052 70.243 67.141 672 1HD1 LEU 86 1HD1 LEU 86 57.589 71.383 69.072 673 2HD1 LEU 86 2HD1 LEU 86 58.460 69.959 69.838 674 3HD1 LEU 86 3HD1 LEU 86 56.673 70.037 69.875 675 1HD2 LEU 86 1HD2 LEU 86 59.494 70.096 67.147 676 2HD2 LEU 86 2HD2 LEU 86 58.960 68.365 66.856 677 3HD2 LEU 86 3HD2 LEU 86 59.469 68.964 68.517 678 H VAL 87 H VAL 87 56.294 69.301 64.849 679 HA VAL 87 HA VAL 87 58.400 67.522 63.647 680 HB VAL 87 HB VAL 87 55.848 67.867 62.615 681 1HG1 VAL 87 1HG1 VAL 87 56.541 70.532 62.469 682 2HG1 VAL 87 2HG1 VAL 87 55.588 69.660 61.227 683 3HG1 VAL 87 3HG1 VAL 87 57.367 69.888 60.991 684 1HG2 VAL 87 1HG2 VAL 87 57.797 68.073 60.367 685 2HG2 VAL 87 2HG2 VAL 87 56.638 66.766 60.859 686 3HG2 VAL 87 3HG2 VAL 87 58.296 66.843 61.562 687 H THR 88 H THR 88 60.005 68.645 62.380 688 HA THR 88 HA THR 88 60.264 71.583 62.708 689 HB THR 88 HB THR 88 62.414 71.273 63.774 690 HG1 THR 88 1HG THR 88 63.192 69.224 64.271 691 1HG2 THR 88 1HG2 THR 88 60.379 69.359 65.121 692 2HG2 THR 88 2HG2 THR 88 60.266 71.114 65.321 693 3HG2 THR 88 3HG2 THR 88 61.709 70.243 65.998 694 H TRP 89 H TRP 89 60.421 72.026 60.646 695 HA TRP 89 HA TRP 89 61.556 70.511 58.395 696 1HB TRP 89 2HB TRP 89 61.358 73.509 59.131 697 2HB TRP 89 1HB TRP 89 62.149 72.992 57.571 698 HD1 TRP 89 HD1 TRP 89 58.688 73.251 59.333 699 HE1 TRP 89 HE1 TRP 89 57.017 72.749 57.534 700 HE3 TRP 89 HE3 TRP 89 61.812 71.823 55.724 701 HZ2 TRP 89 HZ2 TRP 89 57.023 71.806 54.720 702 HZ3 TRP 89 HZ3 TRP 89 61.090 71.145 53.550 703 HH2 TRP 89 HH2 TRP 89 58.737 71.130 53.054 704 H GLU 90 H GLU 90 63.426 69.936 57.818 705 HA GLU 90 HA GLU 90 65.575 71.001 59.601 706 1HB GLU 90 2HB GLU 90 64.719 68.415 59.026 707 2HB GLU 90 1HB GLU 90 66.243 68.633 58.010 708 1HG GLU 90 2HG GLU 90 66.940 69.735 60.529 709 2HG GLU 90 1HG GLU 90 65.743 68.352 60.960 710 H GLY 91 H GLY 91 64.365 71.184 56.522 711 1HA GLY 91 1HA GLY 91 65.420 72.905 55.064 712 2HA GLY 91 2HA GLY 91 67.022 71.997 55.342 713 H ASN 92 H ASN 92 63.814 71.970 54.062 714 HA ASN 92 HA ASN 92 62.780 70.936 52.279 715 1HB ASN 92 2HB ASN 92 65.560 69.675 51.659 716 2HB ASN 92 1HB ASN 92 64.079 69.738 50.563 717 1HD2 ASN 92 2HD2 ASN 92 65.683 70.650 49.132 718 2HD2 ASN 92 1HD2 ASN 92 65.833 72.403 49.165 719 H THR 93 H THR 93 63.077 70.044 54.895 720 HA THR 93 HA THR 93 62.365 67.150 54.669 721 HB THR 93 HB THR 93 63.935 68.131 57.122 722 HG1 THR 93 1HG THR 93 65.075 67.178 54.742 723 1HG2 THR 93 1HG2 THR 93 63.105 65.539 55.705 724 2HG2 THR 93 2HG2 THR 93 63.531 65.779 57.424 725 3HG2 THR 93 3HG2 THR 93 64.863 65.639 56.241 726 H LEU 94 H LEU 94 62.108 67.341 57.783 727 HA LEU 94 HA LEU 94 60.124 69.155 58.396 728 1HB LEU 94 2HB LEU 94 58.034 67.624 58.411 729 2HB LEU 94 1HB LEU 94 58.593 68.433 56.905 730 HG LEU 94 HG LEU 94 60.014 66.104 56.754 731 1HD1 LEU 94 1HD1 LEU 94 57.555 64.608 57.257 732 2HD1 LEU 94 2HD1 LEU 94 57.978 65.524 58.756 733 3HD1 LEU 94 3HD1 LEU 94 59.186 64.364 58.059 734 1HD2 LEU 94 1HD2 LEU 94 58.867 66.555 54.840 735 2HD2 LEU 94 2HD2 LEU 94 57.327 66.973 55.663 736 3HD2 LEU 94 3HD2 LEU 94 57.830 65.213 55.356 737 H VAL 95 H VAL 95 61.240 65.876 58.694 738 HA VAL 95 HA VAL 95 61.504 64.444 60.430 739 HB VAL 95 HB VAL 95 62.398 67.079 61.734 740 1HG1 VAL 95 1HG1 VAL 95 64.035 65.830 63.042 741 2HG1 VAL 95 2HG1 VAL 95 63.408 64.230 62.427 742 3HG1 VAL 95 3HG1 VAL 95 62.339 65.362 63.354 743 1HG2 VAL 95 1HG2 VAL 95 63.453 66.882 59.598 744 2HG2 VAL 95 2HG2 VAL 95 63.727 65.065 59.768 745 3HG2 VAL 95 3HG2 VAL 95 64.724 66.246 60.750 746 H CYS 96 H CYS 96 59.573 63.775 61.328 747 HA CYS 96 HA CYS 96 58.501 65.440 63.534 748 1HB CYS 96 2HB CYS 96 57.228 63.852 61.483 749 2HB CYS 96 1HB CYS 96 56.944 62.909 62.952 750 HG CYS 96 HG CYS 96 55.037 64.798 62.187 751 H VAL 97 H VAL 97 57.583 64.178 65.229 752 HA VAL 97 HA VAL 97 58.783 61.746 66.255 753 HB VAL 97 HB VAL 97 59.244 63.786 68.225 754 1HG1 VAL 97 1HG1 VAL 97 60.445 61.772 68.447 755 2HG1 VAL 97 2HG1 VAL 97 61.768 62.791 67.712 756 3HG1 VAL 97 3HG1 VAL 97 60.829 61.666 66.658 757 1HG2 VAL 97 1HG2 VAL 97 60.853 64.231 65.632 758 2HG2 VAL 97 2HG2 VAL 97 60.975 65.106 67.235 759 3HG2 VAL 97 3HG2 VAL 97 59.490 65.272 66.203 760 H GLN 98 H GLN 98 57.737 60.987 68.009 761 HA GLN 98 HA GLN 98 55.324 62.519 69.018 762 1HB GLN 98 2HB GLN 98 55.545 59.650 67.979 763 2HB GLN 98 1HB GLN 98 54.294 60.116 69.212 764 1HG GLN 98 2HG GLN 98 53.568 62.057 67.621 765 2HG GLN 98 1HG GLN 98 54.756 61.391 66.420 766 1HE2 GLN 98 1HE2 GLN 98 52.213 61.869 65.879 767 2HE2 GLN 98 2HE2 GLN 98 51.378 60.309 65.615 768 H LYS 99 H LYS 99 54.335 62.017 70.786 769 HA LYS 99 HA LYS 99 56.102 60.562 72.811 770 1HB LYS 99 2HB LYS 99 54.407 62.955 73.484 771 2HB LYS 99 1HB LYS 99 55.831 62.336 74.404 772 1HG LYS 99 2HG LYS 99 56.198 63.553 71.603 773 2HG LYS 99 1HG LYS 99 56.140 64.622 73.007 774 1HD LYS 99 2HD LYS 99 58.176 63.327 73.957 775 2HD LYS 99 1HD LYS 99 58.042 62.253 72.463 776 1HE LYS 99 2HE LYS 99 59.666 63.969 71.910 777 2HE LYS 99 1HE LYS 99 58.079 64.445 71.115 778 1HZ LYS 99 1HZ LYS 99 58.814 65.479 73.833 779 2HZ LYS 99 2HZ LYS 99 57.790 66.107 72.671 780 3HZ LYS 99 3HZ LYS 99 59.430 66.152 72.427 781 H GLY 100 H GLY 100 54.244 61.188 74.922 782 1HA GLY 100 1HA GLY 100 52.157 60.509 75.776 783 2HA GLY 100 2HA GLY 100 51.509 60.326 74.102 784 H GLU 101 H GLU 101 54.453 58.884 74.631 785 HA GLU 101 HA GLU 101 54.611 56.631 75.999 786 1HB GLU 101 2HB GLU 101 52.444 55.582 75.430 787 2HB GLU 101 1HB GLU 101 52.512 56.201 73.745 788 1HG GLU 101 2HG GLU 101 54.370 54.507 73.260 789 2HG GLU 101 1HG GLU 101 54.191 53.881 74.997 790 H LYS 102 H LYS 102 54.628 57.852 72.768 791 HA LYS 102 HA LYS 102 56.594 55.990 71.639 792 1HB LYS 102 2HB LYS 102 55.484 58.709 70.874 793 2HB LYS 102 1HB LYS 102 57.009 58.039 70.059 794 1HG LYS 102 2HG LYS 102 55.053 57.145 68.772 795 2HG LYS 102 1HG LYS 102 55.600 55.825 69.888 796 1HD LYS 102 2HD LYS 102 53.837 56.337 71.508 797 2HD LYS 102 1HD LYS 102 53.360 57.823 70.555 798 1HE LYS 102 2HE LYS 102 53.353 55.246 69.020 799 2HE LYS 102 1HE LYS 102 52.151 55.419 70.359 800 1HZ LYS 102 1HZ LYS 102 52.128 57.859 69.036 801 2HZ LYS 102 2HZ LYS 102 51.074 56.628 68.700 802 3HZ LYS 102 3HZ LYS 102 52.416 56.762 67.787 803 H GLU 103 H GLU 103 57.334 59.402 71.917 804 HA GLU 103 HA GLU 103 59.058 60.549 72.665 805 1HB GLU 103 2HB GLU 103 60.244 57.960 73.873 806 2HB GLU 103 1HB GLU 103 60.657 59.722 74.248 807 1HG GLU 103 2HG GLU 103 58.291 60.122 74.838 808 2HG GLU 103 1HG GLU 103 58.045 58.256 74.726 809 H ASN 104 H ASN 104 59.174 58.318 70.341 810 HA ASN 104 HA ASN 104 61.412 59.544 69.145 811 1HB ASN 104 2HB ASN 104 62.328 57.855 71.035 812 2HB ASN 104 1HB ASN 104 62.018 56.553 69.759 813 1HD2 ASN 104 2HD2 ASN 104 62.963 56.771 67.847 814 2HD2 ASN 104 1HD2 ASN 104 64.666 57.555 67.643 815 H ARG 105 H ARG 105 58.752 59.004 68.389 816 HA ARG 105 HA ARG 105 59.171 56.924 66.278 817 1HB ARG 105 2HB ARG 105 57.223 56.250 67.909 818 2HB ARG 105 1HB ARG 105 56.439 57.756 67.412 819 1HG ARG 105 2HG ARG 105 56.646 57.055 64.985 820 2HG ARG 105 1HG ARG 105 57.388 55.483 65.542 821 1HD ARG 105 2HD ARG 105 55.149 54.829 65.389 822 2HD ARG 105 1HD ARG 105 55.185 55.406 67.119 823 HE ARG 105 HE ARG 105 53.798 57.120 66.525 824 1HH1 ARG 105 2HH2 ARG 105 55.228 55.947 63.387 825 2HH1 ARG 105 1HH2 ARG 105 54.203 56.966 62.417 826 1HH2 ARG 105 2HH1 ARG 105 52.533 58.434 65.167 827 2HH2 ARG 105 1HH1 ARG 105 52.766 58.323 63.393 828 H GLY 106 H GLY 106 60.278 58.352 65.338 829 1HA GLY 106 1HA GLY 106 58.727 60.579 64.002 830 2HA GLY 106 2HA GLY 106 60.518 60.421 64.145 831 H TRP 107 H TRP 107 59.277 61.201 62.035 832 HA TRP 107 HA TRP 107 60.145 59.150 60.079 833 1HB TRP 107 2HB TRP 107 57.911 60.491 58.810 834 2HB TRP 107 1HB TRP 107 58.230 58.732 59.100 835 HD1 TRP 107 HD1 TRP 107 57.304 57.987 61.779 836 HE1 TRP 107 HE1 TRP 107 55.382 58.894 63.209 837 HE3 TRP 107 HE3 TRP 107 56.688 62.312 59.323 838 HZ2 TRP 107 HZ2 TRP 107 53.940 61.076 63.184 839 HZ3 TRP 107 HZ3 TRP 107 54.944 63.876 60.076 840 HH2 TRP 107 HH2 TRP 107 53.583 63.202 62.050 841 H LYS 108 H LYS 108 61.746 59.847 59.179 842 HA LYS 108 HA LYS 108 62.083 62.724 58.465 843 1HB LYS 108 2HB LYS 108 63.864 60.325 57.640 844 2HB LYS 108 1HB LYS 108 64.354 62.091 57.899 845 1HG LYS 108 2HG LYS 108 63.262 61.564 60.299 846 2HG LYS 108 1HG LYS 108 63.918 59.871 59.842 847 1HD LYS 108 2HD LYS 108 65.879 60.931 60.923 848 2HD LYS 108 1HD LYS 108 66.080 61.262 59.164 849 1HE LYS 108 2HE LYS 108 65.238 63.475 59.373 850 2HE LYS 108 1HE LYS 108 64.434 63.151 61.012 851 1HZ LYS 108 1HZ LYS 108 66.271 63.567 62.042 852 2HZ LYS 108 2HZ LYS 108 66.706 64.411 60.707 853 3HZ LYS 108 3HZ LYS 108 67.365 62.865 60.971 854 H GLN 109 H GLN 109 60.368 62.838 57.256 855 HA GLN 109 HA GLN 109 60.389 61.436 54.568 856 1HB GLN 109 2HB GLN 109 58.745 63.597 55.951 857 2HB GLN 109 1HB GLN 109 58.504 63.130 54.167 858 1HG GLN 109 2HG GLN 109 58.280 60.702 55.091 859 2HG GLN 109 1HG GLN 109 58.002 61.558 56.759 860 1HE2 GLN 109 2HE2 GLN 109 56.644 60.337 54.202 861 2HE2 GLN 109 1HE2 GLN 109 55.064 61.407 54.180 862 H TRP 110 H TRP 110 62.672 62.494 53.812 863 HA TRP 110 HA TRP 110 62.182 65.449 53.348 864 1HB TRP 110 2HB TRP 110 64.312 65.802 53.564 865 2HB TRP 110 1HB TRP 110 64.202 64.232 54.544 866 HD1 TRP 110 HD1 TRP 110 65.411 65.630 51.123 867 HE1 TRP 110 HE1 TRP 110 66.940 63.760 50.080 868 HE3 TRP 110 HE3 TRP 110 64.503 62.239 54.530 869 HZ2 TRP 110 HZ2 TRP 110 67.550 61.077 50.834 870 HZ3 TRP 110 HZ3 TRP 110 65.538 59.955 54.447 871 HH2 TRP 110 HH2 TRP 110 66.990 59.434 52.678 872 H VAL 111 H VAL 111 61.668 66.149 51.393 873 HA VAL 111 HA VAL 111 61.125 64.320 49.226 874 HB VAL 111 HB VAL 111 61.185 67.396 49.462 875 1HG1 VAL 111 1HG1 VAL 111 61.369 66.879 47.062 876 2HG1 VAL 111 2HG1 VAL 111 59.704 67.464 47.447 877 3HG1 VAL 111 3HG1 VAL 111 60.022 65.687 47.246 878 1HG2 VAL 111 1HG2 VAL 111 59.471 66.084 50.942 879 2HG2 VAL 111 2HG2 VAL 111 58.897 65.305 49.446 880 3HG2 VAL 111 3HG2 VAL 111 58.753 67.108 49.578 881 H GLU 112 H GLU 112 61.710 64.192 47.252 882 HA GLU 112 HA GLU 112 64.281 65.495 46.443 883 1HB GLU 112 2HB GLU 112 63.861 62.553 45.803 884 2HB GLU 112 1HB GLU 112 65.411 63.448 46.064 885 1HG GLU 112 2HG GLU 112 64.867 63.528 48.533 886 2HG GLU 112 1HG GLU 112 63.283 62.543 48.109 887 H GLY 113 H GLY 113 61.217 65.355 45.688 888 1HA GLY 113 1HA GLY 113 60.106 65.741 43.651 889 2HA GLY 113 2HA GLY 113 61.696 65.751 42.811 890 H ASP 114 H ASP 114 58.869 64.137 43.413 891 HA ASP 114 HA ASP 114 58.004 62.056 42.888 892 1HB ASP 114 2HB ASP 114 59.863 62.702 40.460 893 2HB ASP 114 1HB ASP 114 58.598 61.308 40.451 894 H LYS 115 H LYS 115 59.987 61.813 44.601 895 HA LYS 115 HA LYS 115 60.517 59.025 44.882 896 1HB LYS 115 2HB LYS 115 62.351 60.065 42.983 897 2HB LYS 115 1HB LYS 115 63.195 60.462 44.522 898 1HG LYS 115 2HG LYS 115 63.925 58.256 44.222 899 2HG LYS 115 1HG LYS 115 62.391 57.935 45.141 900 1HD LYS 115 2HD LYS 115 61.310 58.097 42.645 901 2HD LYS 115 1HD LYS 115 63.011 57.691 42.134 902 1HE LYS 115 2HE LYS 115 62.752 55.995 44.268 903 2HE LYS 115 1HE LYS 115 61.037 56.072 43.663 904 1HZ LYS 115 1HZ LYS 115 63.412 55.232 42.067 905 2HZ LYS 115 2HZ LYS 115 61.835 55.344 41.477 906 3HZ LYS 115 3HZ LYS 115 62.240 54.197 42.605 907 H LEU 116 H LEU 116 61.194 58.531 46.852 908 HA LEU 116 HA LEU 116 62.066 60.827 48.521 909 1HB LEU 116 2HB LEU 116 59.537 61.113 48.001 910 2HB LEU 116 1HB LEU 116 59.307 59.730 49.193 911 HG LEU 116 HG LEU 116 61.044 61.897 50.233 912 1HD1 LEU 116 1HD1 LEU 116 59.407 63.315 48.819 913 2HD1 LEU 116 2HD1 LEU 116 58.978 63.395 50.580 914 3HD1 LEU 116 3HD1 LEU 116 58.092 62.288 49.396 915 1HD2 LEU 116 1HD2 LEU 116 58.634 60.246 51.128 916 2HD2 LEU 116 2HD2 LEU 116 59.126 61.720 52.073 917 3HD2 LEU 116 3HD2 LEU 116 60.272 60.336 51.907 918 H TYR 117 H TYR 117 62.754 60.490 50.421 919 HA TYR 117 HA TYR 117 62.663 57.590 51.231 920 1HB TYR 117 2HB TYR 117 64.882 59.695 51.031 921 2HB TYR 117 1HB TYR 117 65.045 58.420 52.313 922 HD1 TYR 117 HD1 TYR 117 66.711 59.036 49.568 923 HD2 TYR 117 HD2 TYR 117 63.720 56.078 50.568 924 HE1 TYR 117 HE1 TYR 117 67.568 57.582 47.854 925 HE2 TYR 117 HE2 TYR 117 64.630 54.605 48.802 926 HH TYR 117 HH TYR 117 66.832 54.307 47.661 927 H LEU 118 H LEU 118 61.221 57.416 52.547 928 HA LEU 118 HA LEU 118 61.211 59.312 54.916 929 1HB LEU 118 2HB LEU 118 59.140 59.132 53.993 930 2HB LEU 118 1HB LEU 118 59.200 57.344 53.673 931 HG LEU 118 HG LEU 118 59.167 56.957 56.225 932 1HD1 LEU 118 1HD1 LEU 118 59.681 58.623 57.485 933 2HD1 LEU 118 2HD1 LEU 118 58.126 59.502 57.079 934 3HD1 LEU 118 3HD1 LEU 118 59.695 59.809 56.157 935 1HD2 LEU 118 1HD2 LEU 118 56.658 58.340 56.290 936 2HD2 LEU 118 2HD2 LEU 118 56.959 56.685 55.630 937 3HD2 LEU 118 3HD2 LEU 118 57.000 58.196 54.542 938 H GLU 119 H GLU 119 62.558 58.831 56.526 939 HA GLU 119 HA GLU 119 63.162 55.913 57.065 940 1HB GLU 119 2HB GLU 119 64.703 58.135 58.467 941 2HB GLU 119 1HB GLU 119 65.131 56.497 57.917 942 1HG GLU 119 2HG GLU 119 64.471 57.449 55.498 943 2HG GLU 119 1HG GLU 119 64.862 59.058 56.355 944 H LEU 120 H LEU 120 62.396 54.830 58.646 945 HA LEU 120 HA LEU 120 60.807 56.348 60.676 946 1HB LEU 120 2HB LEU 120 60.586 53.762 59.346 947 2HB LEU 120 1HB LEU 120 60.335 53.620 61.183 948 HG LEU 120 HG LEU 120 58.678 54.845 58.993 949 1HD1 LEU 120 1HD1 LEU 120 56.866 54.185 60.876 950 2HD1 LEU 120 2HD1 LEU 120 58.293 53.347 61.662 951 3HD1 LEU 120 3HD1 LEU 120 57.749 52.881 60.014 952 1HD2 LEU 120 1HD2 LEU 120 57.362 56.186 60.839 953 2HD2 LEU 120 2HD2 LEU 120 58.891 56.969 60.308 954 3HD2 LEU 120 3HD2 LEU 120 58.874 56.083 61.862 955 H THR 121 H THR 121 61.211 56.197 62.702 956 HA THR 121 HA THR 121 63.552 54.469 63.594 957 HB THR 121 HB THR 121 64.267 56.419 65.127 958 HG1 THR 121 1HG THR 121 62.111 57.583 63.770 959 1HG2 THR 121 1HG2 THR 121 65.332 56.033 62.771 960 2HG2 THR 121 2HG2 THR 121 65.403 57.745 63.393 961 3HG2 THR 121 3HG2 THR 121 64.231 57.311 62.102 962 H CYS 122 H CYS 122 60.560 54.313 63.741 963 HA CYS 122 HA CYS 122 59.472 54.944 66.215 964 1HB CYS 122 2HB CYS 122 57.809 53.558 65.491 965 2HB CYS 122 1HB CYS 122 58.724 53.550 63.965 966 HG CYS 122 HG CYS 122 60.166 51.284 64.665 967 H GLY 123 H GLY 123 59.251 53.985 68.087 968 1HA GLY 123 1HA GLY 123 60.068 52.989 70.097 969 2HA GLY 123 2HA GLY 123 60.230 51.560 69.046 970 H ASP 124 H ASP 124 62.064 50.719 69.786 971 HA ASP 124 HA ASP 124 64.563 52.245 70.190 972 1HB ASP 124 2HB ASP 124 64.377 50.426 71.733 973 2HB ASP 124 1HB ASP 124 63.558 49.323 70.525 974 H GLN 125 H GLN 125 63.034 49.932 68.067 975 HA GLN 125 HA GLN 125 65.390 49.390 66.461 976 1HB GLN 125 2HB GLN 125 62.497 48.800 66.363 977 2HB GLN 125 1HB GLN 125 63.116 49.140 64.708 978 1HG GLN 125 2HG GLN 125 64.505 47.160 66.604 979 2HG GLN 125 1HG GLN 125 63.237 46.772 65.313 980 1HE2 GLN 125 1HE2 GLN 125 66.293 46.637 65.849 981 2HE2 GLN 125 2HE2 GLN 125 66.955 47.086 64.107 982 H VAL 126 H VAL 126 64.968 49.866 64.119 983 HA VAL 126 HA VAL 126 64.293 52.637 63.361 984 HB VAL 126 HB VAL 126 67.146 51.334 62.938 985 1HG1 VAL 126 1HG1 VAL 126 66.214 52.700 61.014 986 2HG1 VAL 126 2HG1 VAL 126 67.645 53.490 61.800 987 3HG1 VAL 126 3HG1 VAL 126 65.937 54.099 62.090 988 1HG2 VAL 126 1HG2 VAL 126 67.954 53.006 64.385 989 2HG2 VAL 126 2HG2 VAL 126 66.568 52.229 65.221 990 3HG2 VAL 126 3HG2 VAL 126 66.359 53.889 64.452 991 H CYS 127 H CYS 127 62.954 52.272 61.663 992 HA CYS 127 HA CYS 127 63.794 50.080 59.719 993 1HB CYS 127 2HB CYS 127 61.080 51.530 59.730 994 2HB CYS 127 1HB CYS 127 61.441 49.816 59.384 995 HG CYS 127 HG CYS 127 59.811 50.271 61.575 996 H ARG 128 H ARG 128 62.053 50.956 57.752 997 HA ARG 128 HA ARG 128 63.099 53.676 57.064 998 1HB ARG 128 2HB ARG 128 65.145 52.583 56.682 999 2HB ARG 128 1HB ARG 128 64.292 51.170 55.872 1000 1HG ARG 128 2HG ARG 128 64.906 52.059 53.930 1001 2HG ARG 128 1HG ARG 128 63.525 53.145 54.091 1002 1HD ARG 128 2HD ARG 128 64.744 54.965 54.686 1003 2HD ARG 128 1HD ARG 128 66.105 54.020 55.480 1004 HE ARG 128 HE ARG 128 65.758 53.756 52.540 1005 1HH1 ARG 128 2HH1 ARG 128 67.653 55.127 55.329 1006 2HH1 ARG 128 1HH1 ARG 128 69.065 55.464 54.405 1007 1HH2 ARG 128 2HH2 ARG 128 67.608 54.196 51.367 1008 2HH2 ARG 128 1HH2 ARG 128 69.033 54.928 52.116 1009 H GLN 129 H GLN 129 61.333 54.466 56.282 1010 HA GLN 129 HA GLN 129 59.576 52.724 54.622 1011 1HB GLN 129 2HB GLN 129 59.105 54.829 56.331 1012 2HB GLN 129 1HB GLN 129 59.225 55.730 54.749 1013 1HG GLN 129 2HG GLN 129 57.030 55.194 54.467 1014 2HG GLN 129 1HG GLN 129 57.769 53.635 53.871 1015 1HE2 GLN 129 2HE2 GLN 129 56.780 51.940 54.688 1016 2HE2 GLN 129 1HE2 GLN 129 56.056 51.803 56.306 1017 H VAL 130 H VAL 130 58.820 53.332 52.261 1018 HA VAL 130 HA VAL 130 60.899 54.991 50.945 1019 HB VAL 130 HB VAL 130 60.099 52.128 50.089 1020 1HG1 VAL 130 1HG1 VAL 130 62.210 53.692 48.523 1021 2HG1 VAL 130 2HG1 VAL 130 60.544 54.319 48.338 1022 3HG1 VAL 130 3HG1 VAL 130 60.932 52.590 47.964 1023 1HG2 VAL 130 1HG2 VAL 130 62.023 52.445 51.763 1024 2HG2 VAL 130 2HG2 VAL 130 63.002 53.091 50.426 1025 3HG2 VAL 130 3HG2 VAL 130 62.358 51.409 50.274 1026 H PHE 131 H PHE 131 59.867 56.359 50.011 1027 HA PHE 131 HA PHE 131 57.119 55.932 48.868 1028 1HB PHE 131 2HB PHE 131 58.635 58.218 50.212 1029 2HB PHE 131 1HB PHE 131 57.396 58.575 48.917 1030 HD1 PHE 131 HD1 PHE 131 57.551 56.112 51.885 1031 HD2 PHE 131 HD2 PHE 131 55.523 59.281 49.869 1032 HE1 PHE 131 HE1 PHE 131 55.581 55.996 53.552 1033 HE2 PHE 131 HE2 PHE 131 53.680 59.146 51.437 1034 HZ PHE 131 HZ PHE 131 53.746 57.470 53.305 1035 H LYS 132 H LYS 132 56.655 57.349 47.028 1036 HA LYS 132 HA LYS 132 58.609 58.616 45.367 1037 1HB LYS 132 2HB LYS 132 58.703 56.758 43.601 1038 2HB LYS 132 1HB LYS 132 59.590 56.323 45.128 1039 1HG LYS 132 2HG LYS 132 58.333 54.394 45.115 1040 2HG LYS 132 1HG LYS 132 56.844 55.442 45.472 1041 1HD LYS 132 2HD LYS 132 56.132 55.514 43.374 1042 2HD LYS 132 1HD LYS 132 57.757 55.227 42.575 1043 1HE LYS 132 2HE LYS 132 56.906 52.932 44.301 1044 2HE LYS 132 1HE LYS 132 55.686 53.311 42.999 1045 1HZ LYS 132 1HZ LYS 132 57.318 51.865 42.203 1046 2HZ LYS 132 2HZ LYS 132 58.601 52.786 42.827 1047 3HZ LYS 132 3HZ LYS 132 57.716 53.260 41.462 1048 H LYS 133 H LYS 133 57.773 58.469 43.153 1049 HA LYS 133 HA LYS 133 55.934 58.381 41.565 1050 1HB LYS 133 2HB LYS 133 54.443 56.965 42.876 1051 2HB LYS 133 1HB LYS 133 54.127 58.334 44.002 1052 1HG LYS 133 2HG LYS 133 52.878 59.522 42.608 1053 2HG LYS 133 1HG LYS 133 53.694 58.973 41.082 1054 1HD LYS 133 2HD LYS 133 52.146 57.144 40.884 1055 2HD LYS 133 1HD LYS 133 51.972 57.031 42.700 1056 1HE LYS 133 2HE LYS 133 50.798 59.015 42.914 1057 2HE LYS 133 1HE LYS 133 51.067 59.462 41.150 1058 1HZ LYS 133 1HZ LYS 133 48.881 58.073 42.112 1059 2HZ LYS 133 2HZ LYS 133 49.817 56.908 41.370 1060 3HZ LYS 133 3HZ LYS 133 49.271 58.283 40.546 1061 H LYS 134 H LYS 134 54.492 60.413 44.105 1062 HA LYS 134 HA LYS 134 55.025 62.677 42.156 1063 1HB LYS 134 2HB LYS 134 52.436 61.619 43.219 1064 2HB LYS 134 1HB LYS 134 52.606 63.320 43.641 1065 1HG LYS 134 2HG LYS 134 51.517 63.058 41.397 1066 2HG LYS 134 1HG LYS 134 53.193 63.742 41.107 1067 1HD LYS 134 2HD LYS 134 53.420 60.943 41.363 1068 2HD LYS 134 1HD LYS 134 52.024 61.214 40.243 1069 1HE LYS 134 2HE LYS 134 54.558 62.863 40.014 1070 2HE LYS 134 1HE LYS 134 54.522 61.212 39.236 1071 1HZ LYS 134 1HZ LYS 134 53.012 61.928 37.716 1072 2HZ LYS 134 2HZ LYS 134 53.712 63.423 37.945 1073 3HZ LYS 134 3HZ LYS 134 52.304 63.107 38.705 1074 1H2 RTL 135 1H2 RET 135 46.673 51.236 57.749 1075 2H2 RTL 135 2H2 RET 135 46.999 52.135 59.135 1076 1H3 RTL 135 1H3 RET 135 46.915 50.057 60.252 1077 2H3 RTL 135 2H3 RET 135 46.849 49.254 58.773 1078 1H4 RTL 135 1H4 RET 135 49.116 48.682 58.803 1079 2H4 RTL 135 2H4 RET 135 48.851 48.854 60.490 1080 H7 RTL 135 H7 RET 135 51.870 52.103 58.353 1081 H8 RTL 135 H8 RET 135 49.746 54.121 59.416 1082 H10 RTL 135 H10 RET 135 50.430 55.925 57.601 1083 H11 RTL 135 H11 RET 135 53.231 56.678 57.455 1084 H12 RTL 135 H12 RET 135 51.118 58.606 58.700 1085 H14 RTL 135 H14 RET 135 51.714 60.551 56.728 1086 1H15 RTL 135 1H15 RET 135 54.342 61.310 56.281 1087 2H15 RTL 135 2H15 RET 135 54.187 61.765 58.010 1088 HO1 RTL 135 H51 RET 135 53.411 63.453 57.266 1089 1H16 RTL 135 1H16 RET 135 50.047 50.431 56.625 1090 2H16 RTL 135 2H16 RET 135 48.936 51.490 55.770 1091 3H16 RTL 135 3H16 RET 135 48.368 49.998 56.591 1092 1H17 RTL 135 1H17 RET 135 47.938 53.037 56.449 1093 2H17 RTL 135 2H17 RET 135 49.698 53.132 56.630 1094 3H17 RTL 135 3H17 RET 135 48.596 53.824 57.848 1095 1H18 RTL 135 1H18 RET 135 51.071 48.878 60.615 1096 2H18 RTL 135 2H18 RET 135 50.599 50.284 61.591 1097 3H18 RTL 135 3H18 RET 135 51.928 50.416 60.439 1098 1H19 RTL 135 1H19 RET 135 53.050 55.507 60.383 1099 2H19 RTL 135 2H19 RET 135 53.778 54.742 58.940 1100 3H19 RTL 135 3H19 RET 135 52.912 53.744 60.181 1101 1H20 RTL 135 1H20 RET 135 54.331 58.258 59.138 1102 2H20 RTL 135 2H20 RET 135 54.433 60.016 59.470 1103 3H20 RTL 135 3H20 RET 135 55.086 59.289 57.964 Start of MODEL 21 1 1H MET 1 1H MET 1 59.921 76.317 46.148 2 2H MET 1 2H MET 1 59.906 74.728 45.666 3 3H MET 1 3H MET 1 59.215 75.903 44.704 4 HA MET 1 HA MET 1 61.060 75.769 43.441 5 1HB MET 1 2HB MET 1 61.068 78.060 44.951 6 2HB MET 1 1HB MET 1 62.546 77.229 45.634 7 1HG MET 1 2HG MET 1 63.545 76.980 43.426 8 2HG MET 1 1HG MET 1 62.070 77.446 42.591 9 1HE MET 1 1HE MET 1 60.837 79.771 44.045 10 2HE MET 1 2HE MET 1 61.078 79.808 42.245 11 3HE MET 1 3HE MET 1 61.517 81.185 43.092 12 H THR 2 H THR 2 61.502 75.142 46.840 13 HA THR 2 HA THR 2 63.898 73.350 46.145 14 HB THR 2 HB THR 2 63.329 75.342 48.331 15 HG1 THR 2 1HG THR 2 65.633 74.254 47.183 16 1HG2 THR 2 1HG2 THR 2 64.597 72.500 48.753 17 2HG2 THR 2 2HG2 THR 2 63.312 73.208 49.760 18 3HG2 THR 2 3HG2 THR 2 64.980 73.795 49.929 19 H LYS 3 H LYS 3 61.208 73.988 48.328 20 HA LYS 3 HA LYS 3 61.365 71.046 49.032 21 1HB LYS 3 2HB LYS 3 59.283 71.686 50.513 22 2HB LYS 3 1HB LYS 3 60.979 72.053 51.065 23 1HG LYS 3 2HG LYS 3 59.637 74.176 49.369 24 2HG LYS 3 1HG LYS 3 58.927 73.821 51.025 25 1HD LYS 3 2HD LYS 3 61.953 73.928 50.961 26 2HD LYS 3 1HD LYS 3 61.065 75.485 50.692 27 1HE LYS 3 2HE LYS 3 60.422 75.645 52.822 28 2HE LYS 3 1HE LYS 3 59.902 73.869 52.859 29 1HZ LYS 3 1HZ LYS 3 62.430 73.420 53.036 30 2HZ LYS 3 2HZ LYS 3 61.758 74.098 54.345 31 3HZ LYS 3 3HZ LYS 3 62.624 75.059 53.252 32 H ASP 4 H ASP 4 58.302 72.956 48.659 33 HA ASP 4 HA ASP 4 56.284 72.368 47.765 34 1HB ASP 4 2HB ASP 4 58.323 71.507 45.609 35 2HB ASP 4 1HB ASP 4 56.623 70.865 45.555 36 H GLN 5 H GLN 5 56.190 70.932 49.880 37 HA GLN 5 HA GLN 5 56.779 68.136 49.442 38 1HB GLN 5 2HB GLN 5 55.367 69.989 51.410 39 2HB GLN 5 1HB GLN 5 54.932 68.204 51.569 40 1HG GLN 5 2HG GLN 5 56.832 68.543 53.032 41 2HG GLN 5 1HG GLN 5 57.528 67.823 51.441 42 1HE2 GLN 5 1HE2 GLN 5 59.466 68.560 51.846 43 2HE2 GLN 5 2HE2 GLN 5 59.886 70.260 51.632 44 H ASN 6 H ASN 6 53.847 69.944 49.891 45 HA ASN 6 HA ASN 6 51.664 68.619 49.488 46 1HB ASN 6 2HB ASN 6 51.290 70.196 47.177 47 2HB ASN 6 1HB ASN 6 51.142 70.842 48.906 48 1HD2 ASN 6 1HD2 ASN 6 52.386 72.008 49.850 49 2HD2 ASN 6 2HD2 ASN 6 53.820 72.853 48.960 50 H GLY 7 H GLY 7 52.222 66.483 48.907 51 1HA GLY 7 1HA GLY 7 51.853 66.024 45.954 52 2HA GLY 7 2HA GLY 7 53.264 65.297 46.789 53 H THR 8 H THR 8 52.317 63.547 45.919 54 HA THR 8 HA THR 8 50.371 62.088 47.601 55 HB THR 8 HB THR 8 50.691 61.813 44.489 56 HG1 THR 8 1HG THR 8 50.031 63.875 45.147 57 1HG2 THR 8 1HG2 THR 8 48.069 61.160 45.187 58 2HG2 THR 8 2HG2 THR 8 48.741 61.079 46.855 59 3HG2 THR 8 3HG2 THR 8 49.345 59.907 45.631 60 H TRP 9 H TRP 9 50.877 59.898 47.575 61 HA TRP 9 HA TRP 9 53.458 58.990 46.530 62 1HB TRP 9 2HB TRP 9 54.220 58.780 49.182 63 2HB TRP 9 1HB TRP 9 54.967 59.796 47.851 64 HD1 TRP 9 HD1 TRP 9 51.716 60.225 49.915 65 HE1 TRP 9 HE1 TRP 9 51.586 62.702 50.747 66 HE3 TRP 9 HE3 TRP 9 55.998 61.709 48.093 67 HZ2 TRP 9 HZ2 TRP 9 53.221 64.834 50.534 68 HZ3 TRP 9 HZ3 TRP 9 56.803 64.057 48.394 69 HH2 TRP 9 HH2 TRP 9 55.435 65.637 49.604 70 H GLU 10 H GLU 10 51.918 57.401 45.846 71 HA GLU 10 HA GLU 10 50.793 55.587 47.737 72 1HB GLU 10 2HB GLU 10 51.945 54.908 44.905 73 2HB GLU 10 1HB GLU 10 50.914 53.823 45.958 74 1HG GLU 10 2HG GLU 10 49.506 56.265 45.872 75 2HG GLU 10 1HG GLU 10 50.276 56.138 44.198 76 H MET 11 H MET 11 52.046 54.929 49.275 77 HA MET 11 HA MET 11 54.815 54.366 49.395 78 1HB MET 11 2HB MET 11 52.290 53.476 50.876 79 2HB MET 11 1HB MET 11 53.554 52.180 50.802 80 1HG MET 11 2HG MET 11 54.980 54.605 51.503 81 2HG MET 11 1HG MET 11 53.384 54.719 52.264 82 1HE MET 11 1HE MET 11 52.722 52.336 54.499 83 2HE MET 11 2HE MET 11 53.045 50.962 53.292 84 3HE MET 11 3HE MET 11 52.299 52.423 52.773 85 H GLU 12 H GLU 12 56.052 52.672 49.415 86 HA GLU 12 HA GLU 12 55.298 50.519 47.454 87 1HB GLU 12 2HB GLU 12 57.003 51.706 46.270 88 2HB GLU 12 1HB GLU 12 57.852 52.119 47.829 89 1HG GLU 12 2HG GLU 12 58.785 49.972 48.019 90 2HG GLU 12 1HG GLU 12 57.356 49.228 47.069 91 H SER 13 H SER 13 57.664 51.366 50.082 92 HA SER 13 HA SER 13 57.023 48.689 51.357 93 1HB SER 13 2HB SER 13 59.664 49.449 50.002 94 2HB SER 13 1HB SER 13 59.566 48.155 51.328 95 HG SER 13 HG SER 13 59.266 47.102 49.485 96 H ASN 14 H ASN 14 58.445 48.191 52.948 97 HA ASN 14 HA ASN 14 59.554 50.320 54.689 98 1HB ASN 14 2HB ASN 14 58.195 48.106 56.176 99 2HB ASN 14 1HB ASN 14 57.691 49.894 56.206 100 1HD2 ASN 14 2HD2 ASN 14 56.378 50.556 54.658 101 2HD2 ASN 14 1HD2 ASN 14 55.197 49.391 53.732 102 H GLU 15 H GLU 15 61.300 49.952 55.566 103 HA GLU 15 HA GLU 15 62.488 47.415 54.721 104 1HB GLU 15 2HB GLU 15 63.446 49.785 56.450 105 2HB GLU 15 1HB GLU 15 64.523 48.346 56.236 106 1HG GLU 15 2HG GLU 15 63.272 49.849 53.912 107 2HG GLU 15 1HG GLU 15 65.021 49.989 54.523 108 H ASN 16 H ASN 16 62.724 48.636 58.071 109 HA ASN 16 HA ASN 16 62.439 45.927 59.174 110 1HB ASN 16 2HB ASN 16 62.868 48.749 60.288 111 2HB ASN 16 1HB ASN 16 62.204 47.375 61.385 112 1HD2 ASN 16 1HD2 ASN 16 64.883 48.903 60.319 113 2HD2 ASN 16 2HD2 ASN 16 66.097 47.495 60.681 114 H PHE 17 H PHE 17 60.539 45.215 58.516 115 HA PHE 17 HA PHE 17 57.963 46.489 58.760 116 1HB PHE 17 2HB PHE 17 58.559 43.477 59.116 117 2HB PHE 17 1HB PHE 17 57.064 44.268 58.454 118 HD1 PHE 17 HD1 PHE 17 60.374 43.061 57.761 119 HD2 PHE 17 HD2 PHE 17 57.164 45.384 56.197 120 HE1 PHE 17 HE1 PHE 17 61.328 42.889 55.468 121 HE2 PHE 17 HE2 PHE 17 58.116 45.225 53.932 122 HZ PHE 17 HZ PHE 17 60.191 43.975 53.515 123 H GLU 18 H GLU 18 60.080 44.690 60.792 124 HA GLU 18 HA GLU 18 58.129 44.159 62.986 125 1HB GLU 18 2HB GLU 18 61.217 43.977 62.680 126 2HB GLU 18 1HB GLU 18 60.284 43.551 64.191 127 1HG GLU 18 2HG GLU 18 58.884 42.008 62.735 128 2HG GLU 18 1HG GLU 18 60.364 42.164 61.511 129 H GLY 19 H GLY 19 60.504 46.749 62.356 130 1HA GLY 19 1HA GLY 19 60.474 47.458 65.239 131 2HA GLY 19 2HA GLY 19 61.022 48.515 63.879 132 H TYR 20 H TYR 20 58.311 48.191 62.425 133 HA TYR 20 HA TYR 20 57.113 50.447 63.992 134 1HB TYR 20 2HB TYR 20 57.135 49.992 61.332 135 2HB TYR 20 1HB TYR 20 55.675 48.962 61.768 136 HD1 TYR 20 HD1 TYR 20 57.054 52.339 61.677 137 HD2 TYR 20 HD2 TYR 20 53.750 49.793 62.637 138 HE1 TYR 20 HE1 TYR 20 55.528 54.362 61.847 139 HE2 TYR 20 HE2 TYR 20 52.233 51.707 62.820 140 HH TYR 20 HH TYR 20 52.629 54.314 63.356 141 H MET 21 H MET 21 56.872 46.998 63.819 142 HA MET 21 HA MET 21 54.178 46.779 64.849 143 1HB MET 21 2HB MET 21 55.897 45.139 63.555 144 2HB MET 21 1HB MET 21 56.575 44.897 65.195 145 1HG MET 21 2HG MET 21 53.854 44.522 65.690 146 2HG MET 21 1HG MET 21 53.850 43.973 64.056 147 1HE MET 21 1HE MET 21 54.202 41.106 67.177 148 2HE MET 21 2HE MET 21 52.985 42.060 66.194 149 3HE MET 21 3HE MET 21 53.812 42.851 67.479 150 H LYS 22 H LYS 22 57.284 47.310 65.952 151 HA LYS 22 HA LYS 22 56.643 46.891 68.809 152 1HB LYS 22 2HB LYS 22 58.952 46.310 68.662 153 2HB LYS 22 1HB LYS 22 59.142 47.128 67.071 154 1HG LYS 22 2HG LYS 22 60.581 48.303 68.369 155 2HG LYS 22 1HG LYS 22 59.125 49.373 68.546 156 1HD LYS 22 2HD LYS 22 58.613 48.217 70.748 157 2HD LYS 22 1HD LYS 22 59.903 46.983 70.368 158 1HE LYS 22 2HE LYS 22 61.503 49.095 70.266 159 2HE LYS 22 1HE LYS 22 60.196 49.941 71.203 160 1HZ LYS 22 1HZ LYS 22 61.819 48.814 72.679 161 2HZ LYS 22 2HZ LYS 22 61.427 47.306 71.979 162 3HZ LYS 22 3HZ LYS 22 60.318 48.143 72.833 163 H ALA 23 H ALA 23 56.699 49.445 66.604 164 HA ALA 23 HA ALA 23 56.929 51.529 68.621 165 1HB ALA 23 1HB ALA 23 56.189 53.118 67.096 166 2HB ALA 23 2HB ALA 23 55.235 51.931 66.106 167 3HB ALA 23 3HB ALA 23 57.071 51.930 66.028 168 H LEU 24 H LEU 24 54.636 49.348 67.775 169 HA LEU 24 HA LEU 24 53.036 49.657 70.068 170 1HB LEU 24 2HB LEU 24 50.994 50.588 69.361 171 2HB LEU 24 1HB LEU 24 52.217 51.759 68.672 172 HG LEU 24 HG LEU 24 50.820 49.485 67.046 173 1HD1 LEU 24 1HD1 LEU 24 50.174 52.416 67.423 174 2HD1 LEU 24 2HD1 LEU 24 49.138 50.984 67.625 175 3HD1 LEU 24 3HD1 LEU 24 49.704 51.428 65.952 176 1HD2 LEU 24 1HD2 LEU 24 51.768 51.295 65.202 177 2HD2 LEU 24 2HD2 LEU 24 52.846 49.986 65.765 178 3HD2 LEU 24 3HD2 LEU 24 52.950 51.638 66.486 179 H ASP 25 H ASP 25 52.105 47.979 70.448 180 HA ASP 25 HA ASP 25 52.223 45.593 68.773 181 1HB ASP 25 2HB ASP 25 51.294 44.559 70.915 182 2HB ASP 25 1HB ASP 25 52.616 45.756 71.344 183 H ILE 26 H ILE 26 51.051 46.853 67.246 184 HA ILE 26 HA ILE 26 48.192 47.181 67.574 185 HB ILE 26 HB ILE 26 49.466 48.603 66.018 186 1HG1 ILE 26 2HG1 ILE 26 48.365 48.300 63.832 187 2HG1 ILE 26 1HG1 ILE 26 47.797 46.654 64.451 188 1HG2 ILE 26 1HG2 ILE 26 51.377 47.317 65.261 189 2HG2 ILE 26 2HG2 ILE 26 50.360 47.466 63.799 190 3HG2 ILE 26 3HG2 ILE 26 50.303 45.925 64.732 191 1HD1 ILE 26 1HD1 ILE 26 46.220 48.919 64.737 192 2HD1 ILE 26 2HD1 ILE 26 47.219 49.052 66.214 193 3HD1 ILE 26 3HD1 ILE 26 46.247 47.562 65.920 194 H ASP 27 H ASP 27 50.215 44.677 67.099 195 HA ASP 27 HA ASP 27 49.552 42.469 67.447 196 1HB ASP 27 2HB ASP 27 47.124 42.887 67.335 197 2HB ASP 27 1HB ASP 27 47.199 42.926 65.489 198 H PHE 28 H PHE 28 50.012 40.552 66.220 199 HA PHE 28 HA PHE 28 51.934 41.139 64.191 200 1HB PHE 28 2HB PHE 28 52.473 38.806 64.478 201 2HB PHE 28 1HB PHE 28 51.429 39.081 65.947 202 HD1 PHE 28 HD1 PHE 28 52.015 37.060 63.099 203 HD2 PHE 28 HD2 PHE 28 48.767 38.809 65.374 204 HE1 PHE 28 HE1 PHE 28 50.396 35.357 62.200 205 HE2 PHE 28 HE2 PHE 28 47.222 37.118 64.488 206 HZ PHE 28 HZ PHE 28 48.019 35.388 62.899 207 H ALA 29 H ALA 29 48.542 40.505 63.995 208 HA ALA 29 HA ALA 29 48.576 39.586 61.179 209 1HB ALA 29 1HB ALA 29 46.843 39.296 63.328 210 2HB ALA 29 2HB ALA 29 46.290 39.191 61.630 211 3HB ALA 29 3HB ALA 29 46.129 40.781 62.538 212 H THR 30 H THR 30 48.715 42.514 62.908 213 HA THR 30 HA THR 30 47.559 44.209 60.860 214 HB THR 30 HB THR 30 49.158 44.920 63.344 215 HG1 THR 30 1HG THR 30 46.988 43.892 63.276 216 1HG2 THR 30 1HG2 THR 30 47.207 46.855 62.390 217 2HG2 THR 30 2HG2 THR 30 48.195 46.392 60.919 218 3HG2 THR 30 3HG2 THR 30 49.002 47.108 62.393 219 H ARG 31 H ARG 31 50.844 43.676 61.978 220 HA ARG 31 HA ARG 31 52.263 45.374 60.144 221 1HB ARG 31 2HB ARG 31 53.848 45.005 61.641 222 2HB ARG 31 1HB ARG 31 52.819 43.831 62.445 223 1HG ARG 31 2HG ARG 31 54.445 42.840 59.974 224 2HG ARG 31 1HG ARG 31 55.242 43.179 61.546 225 1HD ARG 31 2HD ARG 31 53.350 41.676 62.587 226 2HD ARG 31 1HD ARG 31 52.975 41.140 60.880 227 HE ARG 31 HE ARG 31 55.283 40.492 62.498 228 1HH1 ARG 31 2HH1 ARG 31 53.865 40.725 59.196 229 2HH1 ARG 31 1HH1 ARG 31 55.000 39.526 58.485 230 1HH2 ARG 31 1HH2 ARG 31 56.769 38.913 61.494 231 2HH2 ARG 31 2HH2 ARG 31 56.575 38.559 59.750 232 H LYS 32 H LYS 32 50.934 42.148 59.788 233 HA LYS 32 HA LYS 32 52.691 41.345 57.690 234 1HB LYS 32 2HB LYS 32 51.568 39.721 59.028 235 2HB LYS 32 1HB LYS 32 49.925 40.435 58.628 236 1HG LYS 32 2HG LYS 32 51.234 39.777 56.088 237 2HG LYS 32 1HG LYS 32 51.376 38.346 57.180 238 1HD LYS 32 2HD LYS 32 48.675 39.863 56.813 239 2HD LYS 32 1HD LYS 32 49.231 38.440 55.890 240 1HE LYS 32 2HE LYS 32 49.527 38.360 58.938 241 2HE LYS 32 1HE LYS 32 47.890 38.054 58.216 242 1HZ LYS 32 1HZ LYS 32 50.321 36.466 57.560 243 2HZ LYS 32 2HZ LYS 32 48.843 36.424 56.762 244 3HZ LYS 32 3HZ LYS 32 48.967 36.080 58.417 245 H ILE 33 H ILE 33 49.651 43.070 58.082 246 HA ILE 33 HA ILE 33 49.164 43.072 55.176 247 HB ILE 33 HB ILE 33 47.991 45.196 57.070 248 1HG1 ILE 33 2HG1 ILE 33 47.125 43.492 58.353 249 2HG1 ILE 33 1HG1 ILE 33 45.899 43.544 56.965 250 1HG2 ILE 33 1HG2 ILE 33 47.724 44.992 54.398 251 2HG2 ILE 33 2HG2 ILE 33 46.256 45.370 55.418 252 3HG2 ILE 33 3HG2 ILE 33 46.548 43.699 54.793 253 1HD1 ILE 33 1HD1 ILE 33 47.759 41.730 55.960 254 2HD1 ILE 33 2HD1 ILE 33 46.445 41.166 57.037 255 3HD1 ILE 33 3HD1 ILE 33 48.115 41.532 57.720 256 H ALA 34 H ALA 34 50.547 45.019 57.673 257 HA ALA 34 HA ALA 34 50.985 47.562 56.293 258 1HB ALA 34 1HB ALA 34 52.864 46.465 58.484 259 2HB ALA 34 2HB ALA 34 51.133 46.798 58.843 260 3HB ALA 34 3HB ALA 34 52.210 48.121 58.265 261 H VAL 35 H VAL 35 52.519 44.545 56.630 262 HA VAL 35 HA VAL 35 55.174 45.129 55.830 263 HB VAL 35 HB VAL 35 53.502 42.703 56.234 264 1HG1 VAL 35 1HG1 VAL 35 55.887 42.690 54.232 265 2HG1 VAL 35 2HG1 VAL 35 54.194 42.138 53.869 266 3HG1 VAL 35 3HG1 VAL 35 55.198 41.206 55.041 267 1HG2 VAL 35 1HG2 VAL 35 55.358 43.606 57.804 268 2HG2 VAL 35 2HG2 VAL 35 56.491 43.033 56.527 269 3HG2 VAL 35 3HG2 VAL 35 55.438 41.815 57.351 270 H ARG 36 H ARG 36 52.409 44.482 53.935 271 HA ARG 36 HA ARG 36 54.108 44.849 51.440 272 1HB ARG 36 2HB ARG 36 52.522 43.548 50.095 273 2HB ARG 36 1HB ARG 36 53.190 42.539 51.458 274 1HG ARG 36 2HG ARG 36 50.636 43.960 52.040 275 2HG ARG 36 1HG ARG 36 50.563 42.609 50.795 276 1HD ARG 36 2HD ARG 36 52.074 42.326 53.424 277 2HD ARG 36 1HD ARG 36 50.317 41.995 53.411 278 HE ARG 36 HE ARG 36 52.488 40.359 52.270 279 1HH1 ARG 36 1HH2 ARG 36 49.040 41.050 51.888 280 2HH1 ARG 36 2HH2 ARG 36 48.628 39.509 51.083 281 1HH2 ARG 36 1HH1 ARG 36 52.053 38.389 51.242 282 2HH2 ARG 36 2HH1 ARG 36 50.422 38.001 50.737 283 H LEU 37 H LEU 37 52.148 46.443 53.338 284 HA LEU 37 HA LEU 37 50.027 47.360 51.571 285 1HB LEU 37 2HB LEU 37 50.898 47.680 54.340 286 2HB LEU 37 1HB LEU 37 50.859 49.326 53.536 287 HG LEU 37 HG LEU 37 48.524 47.355 53.512 288 1HD1 LEU 37 1HD1 LEU 37 48.916 48.380 55.776 289 2HD1 LEU 37 2HD1 LEU 37 47.451 49.046 54.936 290 3HD1 LEU 37 3HD1 LEU 37 49.040 49.980 54.963 291 1HD2 LEU 37 1HD2 LEU 37 49.264 49.781 51.872 292 2HD2 LEU 37 2HD2 LEU 37 47.809 50.091 52.896 293 3HD2 LEU 37 3HD2 LEU 37 47.809 48.666 51.766 294 H THR 38 H THR 38 50.025 48.701 50.067 295 HA THR 38 HA THR 38 52.314 50.594 49.584 296 HB THR 38 HB THR 38 51.177 50.184 47.091 297 HG1 THR 38 1HG THR 38 51.109 47.674 47.456 298 1HG2 THR 38 1HG2 THR 38 53.087 48.065 48.291 299 2HG2 THR 38 2HG2 THR 38 53.641 49.744 48.075 300 3HG2 THR 38 3HG2 THR 38 53.051 48.799 46.621 301 H GLN 39 H GLN 39 50.302 51.289 51.325 302 HA GLN 39 HA GLN 39 48.033 52.516 50.163 303 1HB GLN 39 2HB GLN 39 47.802 53.471 52.400 304 2HB GLN 39 1HB GLN 39 48.913 52.016 52.638 305 1HG GLN 39 2HG GLN 39 50.806 53.731 52.077 306 2HG GLN 39 1HG GLN 39 49.503 54.965 52.562 307 1HE2 GLN 39 1HE2 GLN 39 51.829 54.710 53.894 308 2HE2 GLN 39 2HE2 GLN 39 51.594 54.031 55.518 309 H THR 40 H THR 40 47.358 54.422 49.993 310 HA THR 40 HA THR 40 49.144 56.441 48.742 311 HB THR 40 HB THR 40 46.045 56.117 48.621 312 HG1 THR 40 1HG THR 40 46.337 54.797 47.101 313 1HG2 THR 40 1HG2 THR 40 48.264 57.627 46.993 314 2HG2 THR 40 2HG2 THR 40 46.818 58.400 47.775 315 3HG2 THR 40 3HG2 THR 40 46.642 57.361 46.300 316 H LYS 41 H LYS 41 49.057 58.426 49.169 317 HA LYS 41 HA LYS 41 47.100 59.597 51.075 318 1HB LYS 41 2HB LYS 41 49.206 60.307 52.649 319 2HB LYS 41 1HB LYS 41 48.326 58.753 52.936 320 1HG LYS 41 2HG LYS 41 50.200 57.483 52.072 321 2HG LYS 41 1HG LYS 41 50.802 58.870 51.095 322 1HD LYS 41 2HD LYS 41 50.800 58.774 54.162 323 2HD LYS 41 1HD LYS 41 52.262 58.529 53.092 324 1HE LYS 41 2HE LYS 41 51.430 60.856 52.052 325 2HE LYS 41 1HE LYS 41 50.911 61.074 53.808 326 1HZ LYS 41 1HZ LYS 41 53.131 61.729 53.713 327 2HZ LYS 41 2HZ LYS 41 53.560 60.575 52.554 328 3HZ LYS 41 3HZ LYS 41 53.310 60.103 54.124 329 H ILE 42 H ILE 42 47.468 61.929 51.418 330 HA ILE 42 HA ILE 42 49.756 62.933 49.816 331 HB ILE 42 HB ILE 42 48.653 62.868 47.791 332 1HG1 ILE 42 2HG1 ILE 42 46.707 64.926 48.908 333 2HG1 ILE 42 1HG1 ILE 42 48.387 65.424 48.517 334 1HG2 ILE 42 1HG2 ILE 42 46.997 61.369 48.510 335 2HG2 ILE 42 2HG2 ILE 42 46.079 62.697 47.717 336 3HG2 ILE 42 3HG2 ILE 42 46.136 62.498 49.534 337 1HD1 ILE 42 1HD1 ILE 42 47.462 63.841 46.311 338 2HD1 ILE 42 2HD1 ILE 42 47.696 65.615 46.296 339 3HD1 ILE 42 3HD1 ILE 42 46.043 64.905 46.683 340 H ILE 43 H ILE 43 50.549 64.470 50.735 341 HA ILE 43 HA ILE 43 49.243 66.115 52.782 342 HB ILE 43 HB ILE 43 51.896 66.422 51.312 343 1HG1 ILE 43 2HG1 ILE 43 51.557 64.764 53.886 344 2HG1 ILE 43 1HG1 ILE 43 51.570 63.927 52.242 345 1HG2 ILE 43 1HG2 ILE 43 52.467 66.878 53.964 346 2HG2 ILE 43 2HG2 ILE 43 50.689 67.305 53.970 347 3HG2 ILE 43 3HG2 ILE 43 51.807 68.163 52.857 348 1HD1 ILE 43 1HD1 ILE 43 53.782 63.901 52.460 349 2HD1 ILE 43 2HD1 ILE 43 53.764 65.019 53.939 350 3HD1 ILE 43 3HD1 ILE 43 53.786 65.688 52.288 351 H VAL 44 H VAL 44 49.791 68.571 52.620 352 HA VAL 44 HA VAL 44 50.071 69.608 49.873 353 HB VAL 44 HB VAL 44 47.685 68.674 50.089 354 1HG1 VAL 44 1HG1 VAL 44 47.543 70.263 52.395 355 2HG1 VAL 44 2HG1 VAL 44 46.165 69.433 51.543 356 3HG1 VAL 44 3HG1 VAL 44 46.586 71.154 51.131 357 1HG2 VAL 44 1HG2 VAL 44 47.182 70.279 48.316 358 2HG2 VAL 44 2HG2 VAL 44 48.839 70.929 48.733 359 3HG2 VAL 44 3HG2 VAL 44 47.379 71.658 49.468 360 H GLN 45 H GLN 45 51.153 69.984 52.539 361 HA GLN 45 HA GLN 45 50.275 72.281 53.950 362 1HB GLN 45 2HB GLN 45 52.347 72.108 55.066 363 2HB GLN 45 1HB GLN 45 51.873 70.405 54.672 364 1HG GLN 45 2HG GLN 45 53.322 71.036 52.426 365 2HG GLN 45 1HG GLN 45 54.065 72.235 53.701 366 1HE2 GLN 45 2HE2 GLN 45 55.882 71.404 54.142 367 2HE2 GLN 45 1HE2 GLN 45 56.146 69.619 54.693 368 H ASP 46 H ASP 46 51.474 73.824 54.667 369 HA ASP 46 HA ASP 46 52.730 75.386 52.444 370 1HB ASP 46 2HB ASP 46 50.134 75.876 53.546 371 2HB ASP 46 1HB ASP 46 51.216 77.040 54.473 372 H GLY 47 H GLY 47 53.422 73.939 55.058 373 1HA GLY 47 1HA GLY 47 55.587 74.213 56.225 374 2HA GLY 47 2HA GLY 47 55.409 76.046 56.022 375 H ASP 48 H ASP 48 52.614 75.433 56.949 376 HA ASP 48 HA ASP 48 53.292 75.438 59.909 377 1HB ASP 48 2HB ASP 48 51.547 77.248 58.120 378 2HB ASP 48 1HB ASP 48 51.197 77.145 59.968 379 H ASN 49 H ASN 49 51.273 74.123 57.597 380 HA ASN 49 HA ASN 49 49.827 72.439 59.635 381 1HB ASN 49 2HB ASN 49 47.810 73.232 57.737 382 2HB ASN 49 1HB ASN 49 47.900 73.572 59.566 383 1HD2 ASN 49 1HD2 ASN 49 47.834 74.795 56.427 384 2HD2 ASN 49 2HD2 ASN 49 48.248 76.555 56.916 385 H PHE 50 H PHE 50 50.221 70.518 58.968 386 HA PHE 50 HA PHE 50 50.337 69.927 56.081 387 1HB PHE 50 2HB PHE 50 51.055 68.071 58.459 388 2HB PHE 50 1HB PHE 50 51.309 67.742 56.690 389 HD1 PHE 50 HD1 PHE 50 53.546 67.580 58.420 390 HD2 PHE 50 HD2 PHE 50 51.846 71.107 56.595 391 HE1 PHE 50 HE1 PHE 50 55.810 68.767 58.509 392 HE2 PHE 50 HE2 PHE 50 54.011 72.200 56.691 393 HZ PHE 50 HZ PHE 50 55.976 71.000 57.658 394 H LYS 51 H LYS 51 48.908 68.933 54.873 395 HA LYS 51 HA LYS 51 46.731 67.614 56.505 396 1HB LYS 51 2HB LYS 51 46.134 69.847 55.695 397 2HB LYS 51 1HB LYS 51 46.316 69.292 53.937 398 1HG LYS 51 2HG LYS 51 44.445 67.949 56.029 399 2HG LYS 51 1HG LYS 51 43.911 69.275 54.862 400 1HD LYS 51 2HD LYS 51 45.023 67.738 53.132 401 2HD LYS 51 1HD LYS 51 44.843 66.451 54.443 402 1HE LYS 51 2HE LYS 51 42.548 68.259 53.581 403 2HE LYS 51 1HE LYS 51 42.877 66.703 52.644 404 1HZ LYS 51 1HZ LYS 51 41.265 66.366 54.407 405 2HZ LYS 51 2HZ LYS 51 42.292 66.966 55.577 406 3HZ LYS 51 3HZ LYS 51 42.647 65.524 54.718 407 H THR 52 H THR 52 47.474 65.743 56.392 408 HA THR 52 HA THR 52 47.354 64.400 53.649 409 HB THR 52 HB THR 52 49.706 64.445 54.157 410 HG1 THR 52 1HG THR 52 48.922 62.543 53.788 411 1HG2 THR 52 1HG2 THR 52 49.680 65.419 56.492 412 2HG2 THR 52 2HG2 THR 52 50.585 63.856 56.552 413 3HG2 THR 52 3HG2 THR 52 48.900 63.918 57.162 414 H LYS 53 H LYS 53 46.200 62.660 53.485 415 HA LYS 53 HA LYS 53 45.391 61.256 56.026 416 1HB LYS 53 2HB LYS 53 43.720 60.788 53.542 417 2HB LYS 53 1HB LYS 53 43.169 61.100 55.229 418 1HG LYS 53 2HG LYS 53 42.333 62.953 54.158 419 2HG LYS 53 1HG LYS 53 44.021 63.568 54.616 420 1HD LYS 53 2HD LYS 53 44.706 63.707 52.507 421 2HD LYS 53 1HD LYS 53 43.971 62.083 52.086 422 1HE LYS 53 2HE LYS 53 41.854 63.090 51.476 423 2HE LYS 53 1HE LYS 53 42.197 64.555 52.548 424 1HZ LYS 53 1HZ LYS 53 44.109 64.184 50.414 425 2HZ LYS 53 2HZ LYS 53 43.179 65.528 50.789 426 3HZ LYS 53 3HZ LYS 53 42.538 64.337 49.838 427 H THR 54 H THR 54 45.102 59.153 55.877 428 HA THR 54 HA THR 54 46.962 57.893 53.932 429 HB THR 54 HB THR 54 46.016 56.633 56.502 430 HG1 THR 54 1HG THR 54 47.867 57.681 57.348 431 1HG2 THR 54 1HG2 THR 54 48.645 56.027 56.346 432 2HG2 THR 54 2HG2 THR 54 48.400 56.323 54.542 433 3HG2 THR 54 3HG2 THR 54 47.541 54.991 55.405 434 H ASN 55 H ASN 55 46.431 56.191 52.616 435 HA ASN 55 HA ASN 55 43.553 55.293 52.767 436 1HB ASN 55 2HB ASN 55 44.482 56.791 50.762 437 2HB ASN 55 1HB ASN 55 44.858 55.054 50.095 438 1HD2 ASN 55 2HD2 ASN 55 42.535 57.168 51.631 439 2HD2 ASN 55 1HD2 ASN 55 40.995 56.391 50.880 440 H SER 56 H SER 56 44.849 54.106 54.309 441 HA SER 56 HA SER 56 45.865 51.484 53.291 442 1HB SER 56 2HB SER 56 46.278 53.222 55.642 443 2HB SER 56 1HB SER 56 45.664 51.552 56.151 444 HG SER 56 HG SER 56 47.824 51.923 54.386 445 H THR 57 H THR 57 44.806 49.862 53.073 446 HA THR 57 HA THR 57 41.936 49.720 53.254 447 HB THR 57 HB THR 57 43.701 48.137 51.973 448 HG1 THR 57 1HG THR 57 41.238 47.218 53.019 449 1HG2 THR 57 1HG2 THR 57 43.794 45.924 53.034 450 2HG2 THR 57 2HG2 THR 57 42.777 46.476 54.415 451 3HG2 THR 57 3HG2 THR 57 44.429 47.156 54.254 452 H PHE 58 H PHE 58 44.565 48.813 55.344 453 HA PHE 58 HA PHE 58 42.918 47.471 57.372 454 1HB PHE 58 2HB PHE 58 45.746 47.773 56.951 455 2HB PHE 58 1HB PHE 58 45.321 48.695 58.480 456 HD1 PHE 58 HD1 PHE 58 46.011 47.317 60.169 457 HD2 PHE 58 HD2 PHE 58 43.711 45.608 56.989 458 HE1 PHE 58 HE1 PHE 58 45.862 45.157 61.416 459 HE2 PHE 58 HE2 PHE 58 43.602 43.499 58.264 460 HZ PHE 58 HZ PHE 58 44.670 43.250 60.490 461 H ARG 59 H ARG 59 44.518 50.611 57.336 462 HA ARG 59 HA ARG 59 42.384 51.659 59.330 463 1HB ARG 59 2HB ARG 59 45.377 52.099 59.506 464 2HB ARG 59 1HB ARG 59 44.060 52.917 60.553 465 1HG ARG 59 2HG ARG 59 44.540 49.871 60.324 466 2HG ARG 59 1HG ARG 59 45.138 50.988 61.685 467 1HD ARG 59 2HD ARG 59 42.230 50.472 60.958 468 2HD ARG 59 1HD ARG 59 43.135 50.030 62.475 469 HE ARG 59 HE ARG 59 43.452 52.771 62.345 470 1HH1 ARG 59 2HH1 ARG 59 40.641 50.543 62.056 471 2HH1 ARG 59 1HH1 ARG 59 39.491 51.663 62.712 472 1HH2 ARG 59 1HH2 ARG 59 41.849 54.237 63.225 473 2HH2 ARG 59 2HH2 ARG 59 40.178 53.795 63.389 474 H ASN 60 H ASN 60 41.797 53.612 59.289 475 HA ASN 60 HA ASN 60 42.897 55.253 57.031 476 1HB ASN 60 2HB ASN 60 40.384 54.456 57.012 477 2HB ASN 60 1HB ASN 60 40.148 55.848 58.242 478 1HD2 ASN 60 1HD2 ASN 60 38.992 55.529 55.763 479 2HD2 ASN 60 2HD2 ASN 60 39.479 56.775 54.647 480 H TYR 61 H TYR 61 44.507 56.077 58.271 481 HA TYR 61 HA TYR 61 43.600 57.772 60.608 482 1HB TYR 61 2HB TYR 61 45.337 55.921 60.995 483 2HB TYR 61 1HB TYR 61 46.426 56.829 59.861 484 HD1 TYR 61 HD1 TYR 61 44.030 58.042 62.490 485 HD2 TYR 61 HD2 TYR 61 48.117 57.791 61.192 486 HE1 TYR 61 HE1 TYR 61 44.676 59.521 64.358 487 HE2 TYR 61 HE2 TYR 61 48.760 59.242 63.049 488 HH TYR 61 HH TYR 61 46.497 60.101 65.559 489 H ASP 62 H ASP 62 44.067 59.804 60.695 490 HA ASP 62 HA ASP 62 45.483 61.092 58.367 491 1HB ASP 62 2HB ASP 62 42.905 61.471 58.441 492 2HB ASP 62 1HB ASP 62 43.319 62.412 60.055 493 H LEU 63 H LEU 63 47.163 62.203 58.683 494 HA LEU 63 HA LEU 63 47.820 62.668 61.551 495 1HB LEU 63 2HB LEU 63 49.236 61.577 59.442 496 2HB LEU 63 1HB LEU 63 49.837 63.269 59.299 497 HG LEU 63 HG LEU 63 51.385 61.918 60.777 498 1HD1 LEU 63 1HD1 LEU 63 49.634 63.825 62.471 499 2HD1 LEU 63 2HD1 LEU 63 50.969 64.329 61.304 500 3HD1 LEU 63 3HD1 LEU 63 51.343 63.408 62.801 501 1HD2 LEU 63 1HD2 LEU 63 49.056 60.586 61.403 502 2HD2 LEU 63 2HD2 LEU 63 49.243 61.628 62.865 503 3HD2 LEU 63 3HD2 LEU 63 50.582 60.486 62.421 504 H ASP 64 H ASP 64 45.896 64.488 60.491 505 HA ASP 64 HA ASP 64 46.999 66.953 59.426 506 1HB ASP 64 2HB ASP 64 44.565 66.139 59.787 507 2HB ASP 64 1HB ASP 64 44.743 66.831 61.526 508 H PHE 65 H PHE 65 48.395 68.405 60.252 509 HA PHE 65 HA PHE 65 48.581 68.678 63.204 510 1HB PHE 65 2HB PHE 65 50.018 66.618 62.637 511 2HB PHE 65 1HB PHE 65 50.851 67.659 61.412 512 HD1 PHE 65 HD1 PHE 65 49.642 68.580 64.841 513 HD2 PHE 65 HD2 PHE 65 53.001 67.867 62.162 514 HE1 PHE 65 HE1 PHE 65 51.081 69.434 66.559 515 HE2 PHE 65 HE2 PHE 65 54.481 68.746 63.923 516 HZ PHE 65 HZ PHE 65 53.579 69.516 66.096 517 H THR 66 H THR 66 49.705 70.561 63.722 518 HA THR 66 HA THR 66 50.242 72.506 61.540 519 HB THR 66 HB THR 66 50.323 72.919 64.542 520 HG1 THR 66 1HG THR 66 48.282 71.967 63.319 521 1HG2 THR 66 1HG2 THR 66 49.311 74.771 62.211 522 2HG2 THR 66 2HG2 THR 66 50.872 74.924 63.177 523 3HG2 THR 66 3HG2 THR 66 49.308 75.243 63.962 524 H VAL 67 H VAL 67 52.322 73.375 61.297 525 HA VAL 67 HA VAL 67 54.438 71.576 62.365 526 HB VAL 67 HB VAL 67 54.805 74.244 60.865 527 1HG1 VAL 67 1HG1 VAL 67 56.979 73.618 61.071 528 2HG1 VAL 67 2HG1 VAL 67 56.623 72.184 60.063 529 3HG1 VAL 67 3HG1 VAL 67 56.457 72.071 61.895 530 1HG2 VAL 67 1HG2 VAL 67 54.157 71.350 59.955 531 2HG2 VAL 67 2HG2 VAL 67 54.773 72.624 58.774 532 3HG2 VAL 67 3HG2 VAL 67 53.186 72.828 59.632 533 H GLY 68 H GLY 68 55.735 71.726 63.955 534 1HA GLY 68 1HA GLY 68 56.863 72.687 65.756 535 2HA GLY 68 2HA GLY 68 56.633 74.313 64.917 536 H VAL 69 H VAL 69 53.741 72.687 65.434 537 HA VAL 69 HA VAL 69 53.280 73.887 68.186 538 HB VAL 69 HB VAL 69 51.784 73.949 65.456 539 1HG1 VAL 69 1HG1 VAL 69 49.916 73.657 66.470 540 2HG1 VAL 69 2HG1 VAL 69 50.001 75.351 67.063 541 3HG1 VAL 69 3HG1 VAL 69 50.595 73.983 68.124 542 1HG2 VAL 69 1HG2 VAL 69 51.541 76.517 65.996 543 2HG2 VAL 69 2HG2 VAL 69 53.167 75.908 65.569 544 3HG2 VAL 69 3HG2 VAL 69 52.742 76.265 67.337 545 H GLU 70 H GLU 70 53.592 72.043 68.987 546 HA GLU 70 HA GLU 70 52.615 69.610 67.941 547 1HB GLU 70 2HB GLU 70 52.846 68.604 70.168 548 2HB GLU 70 1HB GLU 70 54.227 69.814 69.862 549 1HG GLU 70 2HG GLU 70 53.864 70.564 71.879 550 2HG GLU 70 1HG GLU 70 52.374 71.389 71.031 551 H PHE 71 H PHE 71 51.331 68.147 68.645 552 HA PHE 71 HA PHE 71 48.663 69.273 69.505 553 1HB PHE 71 2HB PHE 71 49.230 68.681 66.710 554 2HB PHE 71 1HB PHE 71 47.911 67.601 67.239 555 HD1 PHE 71 HD1 PHE 71 48.907 71.096 66.771 556 HD2 PHE 71 HD2 PHE 71 45.791 68.516 67.930 557 HE1 PHE 71 HE1 PHE 71 47.370 72.948 66.564 558 HE2 PHE 71 HE2 PHE 71 44.140 70.377 67.735 559 HZ PHE 71 HZ PHE 71 44.953 72.638 67.030 560 H ASP 72 H ASP 72 47.828 68.010 70.927 561 HA ASP 72 HA ASP 72 48.392 65.251 71.486 562 1HB ASP 72 2HB ASP 72 46.238 65.482 72.840 563 2HB ASP 72 1HB ASP 72 47.531 66.788 73.215 564 H GLU 73 H GLU 73 48.053 64.179 69.577 565 HA GLU 73 HA GLU 73 45.356 63.972 68.244 566 1HB GLU 73 2HB GLU 73 48.210 63.038 67.922 567 2HB GLU 73 1HB GLU 73 46.932 61.939 67.245 568 1HG GLU 73 2HG GLU 73 46.985 64.981 66.731 569 2HG GLU 73 1HG GLU 73 47.765 63.686 65.569 570 H HIS 74 H HIS 74 44.800 61.686 67.669 571 HA HIS 74 HA HIS 74 45.076 59.848 70.010 572 1HB HIS 74 2HB HIS 74 42.798 61.601 69.428 573 2HB HIS 74 1HB HIS 74 42.336 59.903 68.992 574 HD1 HIS 74 HD1 HIS 74 41.398 61.535 71.816 575 HD2 HIS 74 HD2 HIS 74 44.220 58.509 71.311 576 HE1 HIS 74 HE1 HIS 74 41.627 60.398 74.097 577 HE2 HIS 74 HE2 HIS 74 43.402 58.517 73.742 578 H THR 75 H THR 75 45.754 58.093 69.351 579 HA THR 75 HA THR 75 44.983 57.157 66.663 580 HB THR 75 HB THR 75 47.046 55.522 67.414 581 HG1 THR 75 1HG THR 75 47.040 56.407 69.426 582 1HG2 THR 75 1HG2 THR 75 47.094 57.409 65.564 583 2HG2 THR 75 2HG2 THR 75 48.654 57.310 66.490 584 3HG2 THR 75 3HG2 THR 75 47.480 58.603 66.881 585 H LYS 76 H LYS 76 43.337 57.126 68.808 586 HA LYS 76 HA LYS 76 43.280 54.518 70.169 587 1HB LYS 76 2HB LYS 76 40.936 55.368 70.959 588 2HB LYS 76 1HB LYS 76 42.405 56.328 71.452 589 1HG LYS 76 2HG LYS 76 42.040 58.097 70.060 590 2HG LYS 76 1HG LYS 76 41.179 57.020 68.848 591 1HD LYS 76 2HD LYS 76 40.063 57.681 71.612 592 2HD LYS 76 1HD LYS 76 39.740 58.823 70.180 593 1HE LYS 76 2HE LYS 76 38.475 57.093 69.031 594 2HE LYS 76 1HE LYS 76 39.225 55.801 70.099 595 1HZ LYS 76 1HZ LYS 76 37.985 56.778 71.903 596 2HZ LYS 76 2HZ LYS 76 36.960 56.150 70.769 597 3HZ LYS 76 3HZ LYS 76 37.134 57.822 70.912 598 H GLY 77 H GLY 77 42.857 55.162 67.218 599 1HA GLY 77 1HA GLY 77 40.531 53.397 66.690 600 2HA GLY 77 2HA GLY 77 41.454 54.333 65.387 601 H LEU 78 H LEU 78 43.818 54.027 65.957 602 HA LEU 78 HA LEU 78 44.468 51.220 65.224 603 1HB LEU 78 2HB LEU 78 45.766 53.975 65.456 604 2HB LEU 78 1HB LEU 78 46.890 52.600 65.773 605 HG LEU 78 HG LEU 78 45.096 52.445 63.339 606 1HD1 LEU 78 1HD1 LEU 78 47.512 54.172 63.044 607 2HD1 LEU 78 2HD1 LEU 78 45.929 54.869 63.742 608 3HD1 LEU 78 3HD1 LEU 78 45.968 54.123 62.102 609 1HD2 LEU 78 1HD2 LEU 78 46.631 50.822 62.975 610 2HD2 LEU 78 2HD2 LEU 78 47.740 51.425 64.318 611 3HD2 LEU 78 3HD2 LEU 78 47.878 52.125 62.678 612 H ASP 79 H ASP 79 46.830 50.894 66.705 613 HA ASP 79 HA ASP 79 45.563 50.494 69.394 614 1HB ASP 79 2HB ASP 79 47.973 49.315 68.004 615 2HB ASP 79 1HB ASP 79 47.650 49.068 69.866 616 H GLY 80 H GLY 80 46.328 53.223 68.588 617 1HA GLY 80 1HA GLY 80 48.893 53.575 69.885 618 2HA GLY 80 2HA GLY 80 47.993 54.805 68.867 619 H ARG 81 H ARG 81 45.657 54.439 69.964 620 HA ARG 81 HA ARG 81 44.212 55.627 71.403 621 1HB ARG 81 2HB ARG 81 45.590 54.240 73.753 622 2HB ARG 81 1HB ARG 81 43.824 54.196 73.176 623 1HG ARG 81 2HG ARG 81 44.690 52.848 71.121 624 2HG ARG 81 1HG ARG 81 46.237 52.733 71.993 625 1HD ARG 81 2HD ARG 81 45.152 51.613 73.919 626 2HD ARG 81 1HD ARG 81 43.506 51.745 73.150 627 HE ARG 81 HE ARG 81 45.073 50.461 71.241 628 1HH1 ARG 81 2HH2 ARG 81 44.178 50.014 74.665 629 2HH1 ARG 81 1HH2 ARG 81 44.234 48.287 74.602 630 1HH2 ARG 81 1HH1 ARG 81 45.152 48.062 71.142 631 2HH2 ARG 81 2HH1 ARG 81 44.802 47.124 72.604 632 H ASN 82 H ASN 82 47.216 56.952 71.330 633 HA ASN 82 HA ASN 82 46.523 59.205 72.597 634 1HB ASN 82 2HB ASN 82 46.282 58.426 74.866 635 2HB ASN 82 1HB ASN 82 47.610 57.153 74.642 636 1HD2 ASN 82 1HD2 ASN 82 49.561 57.568 75.242 637 2HD2 ASN 82 2HD2 ASN 82 50.132 59.150 75.787 638 H VAL 83 H VAL 83 47.741 60.435 71.525 639 HA VAL 83 HA VAL 83 50.669 60.306 72.003 640 HB VAL 83 HB VAL 83 51.400 60.209 69.769 641 1HG1 VAL 83 1HG1 VAL 83 50.767 57.836 69.104 642 2HG1 VAL 83 2HG1 VAL 83 49.527 57.841 70.416 643 3HG1 VAL 83 3HG1 VAL 83 51.277 57.984 70.839 644 1HG2 VAL 83 1HG2 VAL 83 49.299 61.153 68.724 645 2HG2 VAL 83 2HG2 VAL 83 48.413 59.614 69.037 646 3HG2 VAL 83 3HG2 VAL 83 49.879 59.656 67.880 647 H LYS 84 H LYS 84 51.823 61.814 70.791 648 HA LYS 84 HA LYS 84 50.451 64.221 69.756 649 1HB LYS 84 2HB LYS 84 51.408 65.844 71.255 650 2HB LYS 84 1HB LYS 84 50.202 64.716 72.103 651 1HG LYS 84 2HG LYS 84 53.229 64.234 72.167 652 2HG LYS 84 1HG LYS 84 52.361 65.244 73.416 653 1HD LYS 84 2HD LYS 84 50.669 62.991 73.035 654 2HD LYS 84 1HD LYS 84 52.298 62.257 73.033 655 1HE LYS 84 2HE LYS 84 51.071 64.056 75.222 656 2HE LYS 84 1HE LYS 84 51.688 62.330 75.383 657 1HZ LYS 84 1HZ LYS 84 53.898 63.425 74.549 658 2HZ LYS 84 2HZ LYS 84 53.521 63.424 76.145 659 3HZ LYS 84 3HZ LYS 84 53.206 64.786 75.188 660 H THR 85 H THR 85 51.624 65.280 68.472 661 HA THR 85 HA THR 85 54.562 64.594 68.024 662 HB THR 85 HB THR 85 52.335 63.933 66.551 663 HG1 THR 85 1HG THR 85 53.896 63.181 65.343 664 1HG2 THR 85 1HG2 THR 85 52.623 65.308 64.458 665 2HG2 THR 85 2HG2 THR 85 53.959 66.239 65.146 666 3HG2 THR 85 3HG2 THR 85 52.238 66.512 65.788 667 H LEU 86 H LEU 86 55.619 65.767 66.663 668 HA LEU 86 HA LEU 86 55.203 68.635 66.527 669 1HB LEU 86 2HB LEU 86 56.073 68.283 68.857 670 2HB LEU 86 1HB LEU 86 57.566 67.511 68.124 671 HG LEU 86 HG LEU 86 57.290 70.057 66.842 672 1HD1 LEU 86 1HD1 LEU 86 56.309 70.081 69.586 673 2HD1 LEU 86 2HD1 LEU 86 56.774 71.498 68.612 674 3HD1 LEU 86 3HD1 LEU 86 58.046 70.698 69.627 675 1HD2 LEU 86 1HD2 LEU 86 59.281 68.799 68.855 676 2HD2 LEU 86 2HD2 LEU 86 59.564 70.264 67.751 677 3HD2 LEU 86 3HD2 LEU 86 59.254 68.621 67.066 678 H VAL 87 H VAL 87 56.090 69.411 64.835 679 HA VAL 87 HA VAL 87 58.189 67.875 63.374 680 HB VAL 87 HB VAL 87 55.928 69.767 62.371 681 1HG1 VAL 87 1HG1 VAL 87 57.005 69.433 60.102 682 2HG1 VAL 87 2HG1 VAL 87 58.398 68.735 60.927 683 3HG1 VAL 87 3HG1 VAL 87 58.011 70.488 61.237 684 1HG2 VAL 87 1HG2 VAL 87 55.953 67.738 60.623 685 2HG2 VAL 87 2HG2 VAL 87 55.197 67.389 62.256 686 3HG2 VAL 87 3HG2 VAL 87 56.909 66.881 61.848 687 H THR 88 H THR 88 59.877 68.975 62.397 688 HA THR 88 HA THR 88 60.349 71.750 63.466 689 HB THR 88 HB THR 88 62.461 71.059 64.310 690 HG1 THR 88 1HG THR 88 62.403 68.499 63.345 691 1HG2 THR 88 1HG2 THR 88 60.938 68.388 64.755 692 2HG2 THR 88 2HG2 THR 88 60.260 69.884 65.485 693 3HG2 THR 88 3HG2 THR 88 61.950 69.364 65.924 694 H TRP 89 H TRP 89 60.084 69.981 60.669 695 HA TRP 89 HA TRP 89 61.155 70.172 58.461 696 1HB TRP 89 2HB TRP 89 61.643 72.873 59.822 697 2HB TRP 89 1HB TRP 89 62.349 72.548 58.183 698 HD1 TRP 89 HD1 TRP 89 59.009 72.902 60.026 699 HE1 TRP 89 HE1 TRP 89 57.196 73.116 58.244 700 HE3 TRP 89 HE3 TRP 89 61.850 71.928 56.105 701 HZ2 TRP 89 HZ2 TRP 89 57.104 72.842 55.293 702 HZ3 TRP 89 HZ3 TRP 89 61.002 71.888 53.853 703 HH2 TRP 89 HH2 TRP 89 58.666 72.335 53.452 704 H GLU 90 H GLU 90 63.236 70.975 57.445 705 HA GLU 90 HA GLU 90 65.644 70.674 58.798 706 1HB GLU 90 2HB GLU 90 64.175 68.168 58.690 707 2HB GLU 90 1HB GLU 90 65.649 67.993 57.674 708 1HG GLU 90 2HG GLU 90 66.636 69.217 60.122 709 2HG GLU 90 1HG GLU 90 65.181 68.192 60.637 710 H GLY 91 H GLY 91 64.645 72.022 56.716 711 1HA GLY 91 1HA GLY 91 65.178 72.863 54.695 712 2HA GLY 91 2HA GLY 91 66.796 71.949 54.796 713 H ASN 92 H ASN 92 63.437 71.816 53.941 714 HA ASN 92 HA ASN 92 62.328 70.763 52.240 715 1HB ASN 92 2HB ASN 92 64.656 70.666 50.943 716 2HB ASN 92 1HB ASN 92 64.737 68.912 51.597 717 1HD2 ASN 92 2HD2 ASN 92 64.805 69.315 49.037 718 2HD2 ASN 92 1HD2 ASN 92 63.290 68.834 48.254 719 H THR 93 H THR 93 62.724 69.948 54.973 720 HA THR 93 HA THR 93 61.650 67.178 54.725 721 HB THR 93 HB THR 93 63.277 67.273 57.174 722 HG1 THR 93 1HG THR 93 65.217 67.323 55.855 723 1HG2 THR 93 1HG2 THR 93 64.600 65.572 55.291 724 2HG2 THR 93 2HG2 THR 93 62.942 65.728 54.553 725 3HG2 THR 93 3HG2 THR 93 63.134 64.946 56.156 726 H LEU 94 H LEU 94 61.337 66.504 57.349 727 HA LEU 94 HA LEU 94 60.109 68.458 58.928 728 1HB LEU 94 2HB LEU 94 57.679 67.624 58.680 729 2HB LEU 94 1HB LEU 94 58.310 68.781 57.424 730 HG LEU 94 HG LEU 94 58.982 66.092 56.714 731 1HD1 LEU 94 1HD1 LEU 94 56.620 65.715 57.861 732 2HD1 LEU 94 2HD1 LEU 94 56.728 65.236 56.147 733 3HD1 LEU 94 3HD1 LEU 94 55.928 66.853 56.577 734 1HD2 LEU 94 1HD2 LEU 94 57.148 67.418 54.862 735 2HD2 LEU 94 2HD2 LEU 94 58.926 66.983 54.724 736 3HD2 LEU 94 3HD2 LEU 94 58.410 68.567 55.436 737 H VAL 95 H VAL 95 61.614 67.265 59.922 738 HA VAL 95 HA VAL 95 61.225 64.538 60.670 739 HB VAL 95 HB VAL 95 62.588 66.741 62.409 740 1HG1 VAL 95 1HG1 VAL 95 63.009 63.703 62.069 741 2HG1 VAL 95 2HG1 VAL 95 62.787 64.708 63.573 742 3HG1 VAL 95 3HG1 VAL 95 64.326 64.798 62.632 743 1HG2 VAL 95 1HG2 VAL 95 63.544 67.194 60.280 744 2HG2 VAL 95 2HG2 VAL 95 63.531 65.397 59.815 745 3HG2 VAL 95 3HG2 VAL 95 64.736 66.028 60.987 746 H CYS 96 H CYS 96 59.377 64.100 61.434 747 HA CYS 96 HA CYS 96 58.109 65.575 63.615 748 1HB CYS 96 2HB CYS 96 57.072 64.280 61.403 749 2HB CYS 96 1HB CYS 96 56.966 62.920 62.529 750 HG CYS 96 HG CYS 96 56.106 65.822 63.773 751 H VAL 97 H VAL 97 57.242 64.204 65.413 752 HA VAL 97 HA VAL 97 58.624 61.764 66.171 753 HB VAL 97 HB VAL 97 59.072 63.661 68.343 754 1HG1 VAL 97 1HG1 VAL 97 60.418 61.455 66.868 755 2HG1 VAL 97 2HG1 VAL 97 60.786 62.031 68.542 756 3HG1 VAL 97 3HG1 VAL 97 61.546 62.834 67.127 757 1HG2 VAL 97 1HG2 VAL 97 59.163 65.325 66.467 758 2HG2 VAL 97 2HG2 VAL 97 60.490 64.373 65.680 759 3HG2 VAL 97 3HG2 VAL 97 60.742 65.127 67.312 760 H GLN 98 H GLN 98 56.878 60.784 66.873 761 HA GLN 98 HA GLN 98 54.715 62.122 68.447 762 1HB GLN 98 2HB GLN 98 54.997 59.729 66.733 763 2HB GLN 98 1HB GLN 98 54.478 59.170 68.404 764 1HG GLN 98 2HG GLN 98 52.490 60.724 68.283 765 2HG GLN 98 1HG GLN 98 53.013 61.234 66.636 766 1HE2 GLN 98 1HE2 GLN 98 51.562 60.543 65.376 767 2HE2 GLN 98 2HE2 GLN 98 50.986 58.865 65.276 768 H LYS 99 H LYS 99 53.962 61.667 70.298 769 HA LYS 99 HA LYS 99 55.936 60.255 72.114 770 1HB LYS 99 2HB LYS 99 54.148 62.595 72.831 771 2HB LYS 99 1HB LYS 99 55.515 61.895 73.801 772 1HG LYS 99 2HG LYS 99 55.717 63.236 71.012 773 2HG LYS 99 1HG LYS 99 55.999 64.166 72.490 774 1HD LYS 99 2HD LYS 99 57.934 62.666 73.066 775 2HD LYS 99 1HD LYS 99 57.614 61.695 71.520 776 1HE LYS 99 2HE LYS 99 58.346 63.462 70.154 777 2HE LYS 99 1HE LYS 99 57.721 64.693 71.297 778 1HZ LYS 99 1HZ LYS 99 60.390 63.773 71.058 779 2HZ LYS 99 2HZ LYS 99 59.846 63.237 72.530 780 3HZ LYS 99 3HZ LYS 99 59.776 64.873 72.153 781 H GLY 100 H GLY 100 54.494 60.295 74.380 782 1HA GLY 100 1HA GLY 100 52.416 59.762 75.426 783 2HA GLY 100 2HA GLY 100 51.665 59.374 73.835 784 H GLU 101 H GLU 101 54.480 58.093 73.568 785 HA GLU 101 HA GLU 101 55.162 55.939 75.146 786 1HB GLU 101 2HB GLU 101 53.132 54.595 75.079 787 2HB GLU 101 1HB GLU 101 52.527 55.427 73.642 788 1HG GLU 101 2HG GLU 101 53.878 54.083 72.170 789 2HG GLU 101 1HG GLU 101 54.908 53.409 73.543 790 H LYS 102 H LYS 102 54.474 57.027 71.929 791 HA LYS 102 HA LYS 102 56.330 55.247 70.469 792 1HB LYS 102 2HB LYS 102 55.126 58.087 70.075 793 2HB LYS 102 1HB LYS 102 56.499 57.440 69.033 794 1HG LYS 102 2HG LYS 102 54.586 56.797 67.837 795 2HG LYS 102 1HG LYS 102 55.153 55.300 68.714 796 1HD LYS 102 2HD LYS 102 53.555 55.683 70.551 797 2HD LYS 102 1HD LYS 102 52.768 56.999 69.530 798 1HE LYS 102 2HE LYS 102 52.407 55.355 67.723 799 2HE LYS 102 1HE LYS 102 53.199 54.064 68.764 800 1HZ LYS 102 1HZ LYS 102 50.611 55.503 69.065 801 2HZ LYS 102 2HZ LYS 102 51.378 54.831 70.390 802 3HZ LYS 102 3HZ LYS 102 50.917 53.833 69.155 803 H GLU 103 H GLU 103 56.531 58.489 71.615 804 HA GLU 103 HA GLU 103 58.101 59.799 72.527 805 1HB GLU 103 2HB GLU 103 60.021 57.382 72.364 806 2HB GLU 103 1HB GLU 103 60.356 58.990 73.179 807 1HG GLU 103 2HG GLU 103 58.413 58.635 74.657 808 2HG GLU 103 1HG GLU 103 58.346 56.876 74.032 809 H ASN 104 H ASN 104 59.634 57.569 70.243 810 HA ASN 104 HA ASN 104 60.776 59.979 68.885 811 1HB ASN 104 2HB ASN 104 62.875 58.354 68.542 812 2HB ASN 104 1HB ASN 104 62.487 58.643 70.334 813 1HD2 ASN 104 1HD2 ASN 104 63.897 56.639 69.712 814 2HD2 ASN 104 2HD2 ASN 104 62.880 55.061 69.777 815 H ARG 105 H ARG 105 58.348 58.972 67.981 816 HA ARG 105 HA ARG 105 59.100 57.186 65.766 817 1HB ARG 105 2HB ARG 105 57.161 56.343 67.132 818 2HB ARG 105 1HB ARG 105 56.298 57.850 66.777 819 1HG ARG 105 2HG ARG 105 56.746 57.348 64.247 820 2HG ARG 105 1HG ARG 105 57.144 55.654 64.855 821 1HD ARG 105 2HD ARG 105 54.851 55.472 64.348 822 2HD ARG 105 1HD ARG 105 54.847 55.832 66.158 823 HE ARG 105 HE ARG 105 54.020 57.940 65.688 824 1HH1 ARG 105 2HH2 ARG 105 54.841 56.252 62.576 825 2HH1 ARG 105 1HH2 ARG 105 54.024 57.416 61.548 826 1HH2 ARG 105 2HH1 ARG 105 52.921 59.476 64.239 827 2HH2 ARG 105 1HH1 ARG 105 52.986 59.182 62.481 828 H GLY 106 H GLY 106 60.052 58.510 64.477 829 1HA GLY 106 1HA GLY 106 58.430 60.833 63.308 830 2HA GLY 106 2HA GLY 106 60.239 60.724 63.433 831 H TRP 107 H TRP 107 59.265 61.535 61.416 832 HA TRP 107 HA TRP 107 60.228 59.548 59.464 833 1HB TRP 107 2HB TRP 107 58.114 60.902 58.004 834 2HB TRP 107 1HB TRP 107 58.367 59.133 58.300 835 HD1 TRP 107 HD1 TRP 107 57.304 58.422 60.997 836 HE1 TRP 107 HE1 TRP 107 55.292 59.375 62.227 837 HE3 TRP 107 HE3 TRP 107 56.873 62.570 58.284 838 HZ2 TRP 107 HZ2 TRP 107 53.797 61.658 61.963 839 HZ3 TRP 107 HZ3 TRP 107 55.067 64.199 58.808 840 HH2 TRP 107 HH2 TRP 107 53.572 63.703 60.640 841 H LYS 108 H LYS 108 61.385 60.091 57.963 842 HA LYS 108 HA LYS 108 61.896 63.047 57.516 843 1HB LYS 108 2HB LYS 108 63.909 60.680 57.273 844 2HB LYS 108 1HB LYS 108 64.292 62.466 57.018 845 1HG LYS 108 2HG LYS 108 62.839 62.221 59.500 846 2HG LYS 108 1HG LYS 108 64.161 60.980 59.459 847 1HD LYS 108 2HD LYS 108 65.000 63.714 58.424 848 2HD LYS 108 1HD LYS 108 64.503 63.738 60.153 849 1HE LYS 108 2HE LYS 108 66.929 63.218 60.028 850 2HE LYS 108 1HE LYS 108 66.062 61.615 60.386 851 1HZ LYS 108 1HZ LYS 108 66.061 61.590 57.767 852 2HZ LYS 108 2HZ LYS 108 67.374 61.058 58.626 853 3HZ LYS 108 3HZ LYS 108 67.396 62.548 57.860 854 H GLN 109 H GLN 109 60.170 62.666 56.264 855 HA GLN 109 HA GLN 109 60.580 61.506 53.523 856 1HB GLN 109 2HB GLN 109 58.689 63.328 55.019 857 2HB GLN 109 1HB GLN 109 58.755 63.516 53.219 858 1HG GLN 109 2HG GLN 109 58.493 60.783 53.402 859 2HG GLN 109 1HG GLN 109 57.752 61.338 55.061 860 1HE2 GLN 109 1HE2 GLN 109 56.762 60.057 52.718 861 2HE2 GLN 109 2HE2 GLN 109 55.358 61.195 52.084 862 H TRP 110 H TRP 110 62.327 62.639 52.213 863 HA TRP 110 HA TRP 110 62.159 65.652 52.643 864 1HB TRP 110 2HB TRP 110 64.377 65.821 52.741 865 2HB TRP 110 1HB TRP 110 64.088 64.243 53.597 866 HD1 TRP 110 HD1 TRP 110 64.992 65.371 50.032 867 HE1 TRP 110 HE1 TRP 110 66.505 63.555 48.979 868 HE3 TRP 110 HE3 TRP 110 64.715 62.361 53.884 869 HZ2 TRP 110 HZ2 TRP 110 67.370 60.966 50.064 870 HZ3 TRP 110 HZ3 TRP 110 65.831 60.210 53.968 871 HH2 TRP 110 HH2 TRP 110 67.139 59.505 52.106 872 H VAL 111 H VAL 111 61.276 63.453 50.527 873 HA VAL 111 HA VAL 111 60.680 63.429 48.291 874 HB VAL 111 HB VAL 111 60.804 66.498 48.586 875 1HG1 VAL 111 1HG1 VAL 111 59.425 66.691 46.798 876 2HG1 VAL 111 2HG1 VAL 111 58.551 65.143 47.135 877 3HG1 VAL 111 3HG1 VAL 111 60.157 65.099 46.359 878 1HG2 VAL 111 1HG2 VAL 111 59.571 65.317 50.589 879 2HG2 VAL 111 2HG2 VAL 111 58.560 64.479 49.366 880 3HG2 VAL 111 3HG2 VAL 111 58.527 66.329 49.470 881 H GLU 112 H GLU 112 61.776 62.827 46.774 882 HA GLU 112 HA GLU 112 64.106 64.390 45.757 883 1HB GLU 112 2HB GLU 112 63.483 61.485 46.017 884 2HB GLU 112 1HB GLU 112 64.527 61.974 44.647 885 1HG GLU 112 2HG GLU 112 64.959 63.017 47.510 886 2HG GLU 112 1HG GLU 112 65.702 61.390 46.939 887 H GLY 113 H GLY 113 61.622 62.130 44.555 888 1HA GLY 113 1HA GLY 113 60.240 63.471 42.596 889 2HA GLY 113 2HA GLY 113 61.844 63.171 41.761 890 H ASP 114 H ASP 114 58.865 61.950 42.899 891 HA ASP 114 HA ASP 114 57.670 60.090 42.429 892 1HB ASP 114 2HB ASP 114 59.746 59.664 40.128 893 2HB ASP 114 1HB ASP 114 57.917 59.196 40.204 894 H LYS 115 H LYS 115 60.282 59.942 43.877 895 HA LYS 115 HA LYS 115 60.251 57.428 44.973 896 1HB LYS 115 2HB LYS 115 62.229 57.822 42.616 897 2HB LYS 115 1HB LYS 115 62.864 56.975 44.105 898 1HG LYS 115 2HG LYS 115 60.531 56.047 42.295 899 2HG LYS 115 1HG LYS 115 62.146 55.297 42.589 900 1HD LYS 115 2HD LYS 115 61.344 55.644 45.178 901 2HD LYS 115 1HD LYS 115 59.694 55.517 44.413 902 1HE LYS 115 2HE LYS 115 60.358 53.316 45.092 903 2HE LYS 115 1HE LYS 115 60.378 53.416 43.300 904 1HZ LYS 115 1HZ LYS 115 62.770 53.688 45.036 905 2HZ LYS 115 2HZ LYS 115 62.822 53.621 43.343 906 3HZ LYS 115 3HZ LYS 115 62.436 52.274 44.246 907 H LEU 116 H LEU 116 60.806 57.707 46.864 908 HA LEU 116 HA LEU 116 63.002 59.656 47.366 909 1HB LEU 116 2HB LEU 116 61.585 60.809 49.166 910 2HB LEU 116 1HB LEU 116 61.079 61.093 47.461 911 HG LEU 116 HG LEU 116 59.914 58.671 48.754 912 1HD1 LEU 116 1HD1 LEU 116 58.661 59.738 50.488 913 2HD1 LEU 116 2HD1 LEU 116 58.309 61.135 49.375 914 3HD1 LEU 116 3HD1 LEU 116 59.902 61.019 50.299 915 1HD2 LEU 116 1HD2 LEU 116 57.797 59.580 47.562 916 2HD2 LEU 116 2HD2 LEU 116 59.200 59.424 46.433 917 3HD2 LEU 116 3HD2 LEU 116 58.751 61.034 47.121 918 H TYR 117 H TYR 117 63.180 59.924 49.915 919 HA TYR 117 HA TYR 117 63.050 57.096 50.936 920 1HB TYR 117 2HB TYR 117 65.352 59.064 50.602 921 2HB TYR 117 1HB TYR 117 65.387 58.006 52.042 922 HD1 TYR 117 HD1 TYR 117 67.151 58.141 49.297 923 HD2 TYR 117 HD2 TYR 117 64.032 55.418 50.615 924 HE1 TYR 117 HE1 TYR 117 68.012 56.435 47.820 925 HE2 TYR 117 HE2 TYR 117 64.916 53.747 49.152 926 HH TYR 117 HH TYR 117 67.078 53.129 48.058 927 H LEU 118 H LEU 118 61.592 57.182 52.264 928 HA LEU 118 HA LEU 118 61.526 59.466 54.280 929 1HB LEU 118 2HB LEU 118 59.420 59.091 53.156 930 2HB LEU 118 1HB LEU 118 59.555 57.301 53.285 931 HG LEU 118 HG LEU 118 59.148 57.328 55.755 932 1HD1 LEU 118 1HD1 LEU 118 59.919 60.065 55.415 933 2HD1 LEU 118 2HD1 LEU 118 59.830 59.143 56.966 934 3HD1 LEU 118 3HD1 LEU 118 58.343 59.970 56.311 935 1HD2 LEU 118 1HD2 LEU 118 56.928 57.333 55.305 936 2HD2 LEU 118 2HD2 LEU 118 57.275 58.265 53.739 937 3HD2 LEU 118 3HD2 LEU 118 56.919 59.110 55.314 938 H GLU 119 H GLU 119 63.139 59.021 55.591 939 HA GLU 119 HA GLU 119 63.713 56.364 56.565 940 1HB GLU 119 2HB GLU 119 64.583 59.035 57.968 941 2HB GLU 119 1HB GLU 119 65.325 57.395 57.950 942 1HG GLU 119 2HG GLU 119 65.119 57.750 55.255 943 2HG GLU 119 1HG GLU 119 65.207 59.530 55.793 944 H LEU 120 H LEU 120 62.567 55.175 58.014 945 HA LEU 120 HA LEU 120 60.559 56.775 59.456 946 1HB LEU 120 2HB LEU 120 60.336 54.531 57.966 947 2HB LEU 120 1HB LEU 120 60.355 53.785 59.625 948 HG LEU 120 HG LEU 120 58.233 55.307 58.283 949 1HD1 LEU 120 1HD1 LEU 120 58.372 53.469 60.793 950 2HD1 LEU 120 2HD1 LEU 120 57.536 53.240 59.138 951 3HD1 LEU 120 3HD1 LEU 120 56.863 54.337 60.361 952 1HD2 LEU 120 1HD2 LEU 120 57.395 56.200 60.717 953 2HD2 LEU 120 2HD2 LEU 120 58.508 57.232 59.775 954 3HD2 LEU 120 3HD2 LEU 120 59.206 56.196 61.047 955 H THR 121 H THR 121 61.028 57.257 61.456 956 HA THR 121 HA THR 121 62.612 55.256 63.075 957 HB THR 121 HB THR 121 62.929 57.087 64.779 958 HG1 THR 121 1HG THR 121 61.220 58.377 62.984 959 1HG2 THR 121 1HG2 THR 121 63.340 58.535 62.047 960 2HG2 THR 121 2HG2 THR 121 64.253 57.007 62.306 961 3HG2 THR 121 3HG2 THR 121 64.531 58.462 63.392 962 H CYS 122 H CYS 122 61.543 54.199 64.827 963 HA CYS 122 HA CYS 122 58.879 55.243 65.726 964 1HB CYS 122 2HB CYS 122 57.615 53.476 64.642 965 2HB CYS 122 1HB CYS 122 58.640 54.195 63.387 966 HG CYS 122 HG CYS 122 58.566 51.516 63.043 967 H GLY 123 H GLY 123 61.386 54.568 66.735 968 1HA GLY 123 1HA GLY 123 61.056 53.559 69.264 969 2HA GLY 123 2HA GLY 123 61.126 52.064 68.215 970 H ASP 124 H ASP 124 62.833 52.092 69.970 971 HA ASP 124 HA ASP 124 65.330 53.340 69.924 972 1HB ASP 124 2HB ASP 124 66.149 50.727 70.128 973 2HB ASP 124 1HB ASP 124 65.294 51.568 71.557 974 H GLN 125 H GLN 125 63.978 51.037 67.735 975 HA GLN 125 HA GLN 125 66.578 51.276 66.094 976 1HB GLN 125 2HB GLN 125 66.329 49.025 65.464 977 2HB GLN 125 1HB GLN 125 65.449 48.889 66.993 978 1HG GLN 125 2HG GLN 125 63.215 49.340 65.805 979 2HG GLN 125 1HG GLN 125 64.239 49.465 64.266 980 1HE2 GLN 125 2HE2 GLN 125 63.861 47.567 67.132 981 2HE2 GLN 125 1HE2 GLN 125 64.121 45.875 66.371 982 H VAL 126 H VAL 126 66.472 51.764 64.060 983 HA VAL 126 HA VAL 126 63.979 53.190 63.134 984 HB VAL 126 HB VAL 126 67.020 53.481 62.434 985 1HG1 VAL 126 1HG1 VAL 126 65.676 54.163 60.499 986 2HG1 VAL 126 2HG1 VAL 126 65.978 55.695 61.407 987 3HG1 VAL 126 3HG1 VAL 126 64.358 54.849 61.492 988 1HG2 VAL 126 1HG2 VAL 126 65.551 55.783 63.582 989 2HG2 VAL 126 2HG2 VAL 126 67.111 55.106 64.074 990 3HG2 VAL 126 3HG2 VAL 126 65.579 54.369 64.719 991 H CYS 127 H CYS 127 63.378 53.139 61.030 992 HA CYS 127 HA CYS 127 64.343 50.849 59.297 993 1HB CYS 127 2HB CYS 127 61.511 51.841 58.913 994 2HB CYS 127 1HB CYS 127 62.174 50.223 58.954 995 HG CYS 127 HG CYS 127 62.644 50.531 61.733 996 H ARG 128 H ARG 128 62.724 51.457 57.167 997 HA ARG 128 HA ARG 128 63.383 54.278 56.488 998 1HB ARG 128 2HB ARG 128 65.490 53.075 56.083 999 2HB ARG 128 1HB ARG 128 64.631 51.823 55.076 1000 1HG ARG 128 2HG ARG 128 63.931 53.515 53.445 1001 2HG ARG 128 1HG ARG 128 64.961 54.781 54.213 1002 1HD ARG 128 2HD ARG 128 66.048 51.951 53.544 1003 2HD ARG 128 1HD ARG 128 65.795 53.183 52.182 1004 HE ARG 128 HE ARG 128 67.291 54.310 54.365 1005 1HH1 ARG 128 2HH1 ARG 128 67.649 52.195 51.509 1006 2HH1 ARG 128 1HH1 ARG 128 69.360 52.574 51.330 1007 1HH2 ARG 128 1HH2 ARG 128 69.456 54.800 54.119 1008 2HH2 ARG 128 2HH2 ARG 128 70.392 54.067 52.826 1009 H GLN 129 H GLN 129 61.188 54.712 55.872 1010 HA GLN 129 HA GLN 129 59.771 52.677 54.383 1011 1HB GLN 129 2HB GLN 129 59.357 55.714 54.383 1012 2HB GLN 129 1HB GLN 129 58.232 54.539 53.590 1013 1HG GLN 129 2HG GLN 129 58.964 54.700 56.566 1014 2HG GLN 129 1HG GLN 129 57.277 54.973 55.781 1015 1HE2 GLN 129 2HE2 GLN 129 59.020 53.020 57.640 1016 2HE2 GLN 129 1HE2 GLN 129 58.379 51.428 57.209 1017 H VAL 130 H VAL 130 58.849 52.988 52.145 1018 HA VAL 130 HA VAL 130 60.920 54.182 50.350 1019 HB VAL 130 HB VAL 130 59.503 51.599 49.490 1020 1HG1 VAL 130 1HG1 VAL 130 60.587 52.670 47.701 1021 2HG1 VAL 130 2HG1 VAL 130 61.823 51.482 48.252 1022 3HG1 VAL 130 3HG1 VAL 130 61.967 53.228 48.718 1023 1HG2 VAL 130 1HG2 VAL 130 62.057 51.703 51.153 1024 2HG2 VAL 130 2HG2 VAL 130 61.589 50.327 50.062 1025 3HG2 VAL 130 3HG2 VAL 130 60.558 50.722 51.487 1026 H PHE 131 H PHE 131 59.962 55.726 49.594 1027 HA PHE 131 HA PHE 131 57.012 55.571 48.874 1028 1HB PHE 131 2HB PHE 131 58.980 57.468 50.172 1029 2HB PHE 131 1HB PHE 131 57.758 58.239 48.984 1030 HD1 PHE 131 HD1 PHE 131 57.774 55.673 51.721 1031 HD2 PHE 131 HD2 PHE 131 55.924 59.112 49.975 1032 HE1 PHE 131 HE1 PHE 131 56.070 55.564 53.572 1033 HE2 PHE 131 HE2 PHE 131 54.277 59.014 51.754 1034 HZ PHE 131 HZ PHE 131 54.309 57.268 53.555 1035 H LYS 132 H LYS 132 56.230 56.081 47.032 1036 HA LYS 132 HA LYS 132 58.111 57.209 44.993 1037 1HB LYS 132 2HB LYS 132 55.449 55.700 44.483 1038 2HB LYS 132 1HB LYS 132 56.891 55.849 43.401 1039 1HG LYS 132 2HG LYS 132 58.128 54.240 44.928 1040 2HG LYS 132 1HG LYS 132 56.525 53.952 45.832 1041 1HD LYS 132 2HD LYS 132 56.686 53.720 42.831 1042 2HD LYS 132 1HD LYS 132 56.834 52.255 43.963 1043 1HE LYS 132 2HE LYS 132 54.667 53.148 44.969 1044 2HE LYS 132 1HE LYS 132 54.489 54.130 43.466 1045 1HZ LYS 132 1HZ LYS 132 53.735 51.500 43.747 1046 2HZ LYS 132 2HZ LYS 132 55.300 51.314 43.148 1047 3HZ LYS 132 3HZ LYS 132 54.132 52.145 42.296 1048 H LYS 133 H LYS 133 56.293 57.733 43.199 1049 HA LYS 133 HA LYS 133 54.570 59.219 42.484 1050 1HB LYS 133 2HB LYS 133 53.444 57.931 44.828 1051 2HB LYS 133 1HB LYS 133 53.079 59.737 44.767 1052 1HG LYS 133 2HG LYS 133 52.655 59.039 42.128 1053 2HG LYS 133 1HG LYS 133 52.195 57.486 43.008 1054 1HD LYS 133 2HD LYS 133 50.174 58.311 43.495 1055 2HD LYS 133 1HD LYS 133 50.986 59.700 44.352 1056 1HE LYS 133 2HE LYS 133 50.720 61.089 42.609 1057 2HE LYS 133 1HE LYS 133 50.995 59.714 41.371 1058 1HZ LYS 133 1HZ LYS 133 48.858 59.166 41.375 1059 2HZ LYS 133 2HZ LYS 133 48.593 60.752 41.714 1060 3HZ LYS 133 3HZ LYS 133 48.565 59.606 42.958 1061 H LYS 134 H LYS 134 53.187 61.062 43.359 1062 HA LYS 134 HA LYS 134 54.545 63.150 44.871 1063 1HB LYS 134 2HB LYS 134 55.575 64.380 43.060 1064 2HB LYS 134 1HB LYS 134 56.007 62.682 42.712 1065 1HG LYS 134 2HG LYS 134 53.611 64.143 41.394 1066 2HG LYS 134 1HG LYS 134 55.221 63.868 40.576 1067 1HD LYS 134 2HD LYS 134 54.682 61.355 41.452 1068 2HD LYS 134 1HD LYS 134 52.996 61.990 41.291 1069 1HE LYS 134 2HE LYS 134 53.675 63.054 39.085 1070 2HE LYS 134 1HE LYS 134 55.006 61.746 39.047 1071 1HZ LYS 134 1HZ LYS 134 52.962 60.286 39.714 1072 2HZ LYS 134 2HZ LYS 134 53.288 60.597 38.087 1073 3HZ LYS 134 3HZ LYS 134 52.094 61.424 38.820 1074 1H2 RTL 135 1H2 RET 135 47.918 50.876 57.338 1075 2H2 RTL 135 2H2 RET 135 46.517 51.391 58.096 1076 1H3 RTL 135 1H3 RET 135 46.650 49.596 59.544 1077 2H3 RTL 135 2H3 RET 135 47.999 49.042 58.754 1078 1H4 RTL 135 1H4 RET 135 48.649 49.345 61.064 1079 2H4 RTL 135 2H4 RET 135 47.836 50.848 61.196 1080 H7 RTL 135 H7 RET 135 51.446 52.279 58.298 1081 H8 RTL 135 H8 RET 135 50.028 54.615 59.799 1082 H10 RTL 135 H10 RET 135 50.460 56.258 57.684 1083 H11 RTL 135 H11 RET 135 53.244 56.571 56.883 1084 H12 RTL 135 H12 RET 135 51.753 58.835 58.418 1085 H14 RTL 135 H14 RET 135 52.196 60.578 56.263 1086 1H15 RTL 135 1H15 RET 135 54.619 61.902 57.022 1087 2H15 RTL 135 2H15 RET 135 53.852 62.101 55.438 1088 HO1 RTL 135 H51 RET 135 55.105 60.700 54.596 1089 1H16 RTL 135 1H16 RET 135 47.376 53.553 57.303 1090 2H16 RTL 135 2H16 RET 135 49.146 53.366 57.164 1091 3H16 RTL 135 3H16 RET 135 48.500 54.462 58.359 1092 1H17 RTL 135 1H17 RET 135 46.695 53.785 59.382 1093 2H17 RTL 135 2H17 RET 135 48.122 53.971 60.370 1094 3H17 RTL 135 3H17 RET 135 47.030 52.609 60.631 1095 1H18 RTL 135 1H18 RET 135 50.923 49.250 60.785 1096 2H18 RTL 135 2H18 RET 135 50.951 50.656 61.894 1097 3H18 RTL 135 3H18 RET 135 51.776 50.702 60.291 1098 1H19 RTL 135 1H19 RET 135 53.389 53.653 59.073 1099 2H19 RTL 135 2H19 RET 135 53.279 54.945 60.255 1100 3H19 RTL 135 3H19 RET 135 53.973 55.284 58.653 1101 1H20 RTL 135 1H20 RET 135 55.491 58.540 57.021 1102 2H20 RTL 135 2H20 RET 135 54.805 58.166 58.585 1103 3H20 RTL 135 3H20 RET 135 55.364 59.859 58.184 Start of MODEL 22 1 1H MET 1 1H MET 1 63.452 71.403 43.183 2 2H MET 1 2H MET 1 62.761 72.000 44.578 3 3H MET 1 3H MET 1 63.538 70.466 44.516 4 HA MET 1 HA MET 1 65.692 71.718 44.029 5 1HB MET 1 2HB MET 1 63.996 73.893 45.484 6 2HB MET 1 1HB MET 1 65.721 74.001 45.043 7 1HG MET 1 2HG MET 1 63.627 73.479 42.834 8 2HG MET 1 1HG MET 1 63.849 75.108 43.356 9 1HE MET 1 1HE MET 1 64.834 76.228 41.488 10 2HE MET 1 2HE MET 1 64.503 74.817 40.404 11 3HE MET 1 3HE MET 1 66.035 75.583 40.308 12 H THR 2 H THR 2 63.175 72.065 46.507 13 HA THR 2 HA THR 2 65.042 70.573 48.367 14 HB THR 2 HB THR 2 63.899 72.623 49.943 15 HG1 THR 2 1HG THR 2 63.560 73.752 47.948 16 1HG2 THR 2 1HG2 THR 2 66.407 71.560 49.834 17 2HG2 THR 2 2HG2 THR 2 66.387 73.277 50.197 18 3HG2 THR 2 3HG2 THR 2 66.785 72.716 48.523 19 H LYS 3 H LYS 3 62.164 72.676 48.737 20 HA LYS 3 HA LYS 3 60.734 70.163 49.721 21 1HB LYS 3 2HB LYS 3 59.676 71.346 51.409 22 2HB LYS 3 1HB LYS 3 61.357 72.016 51.462 23 1HG LYS 3 2HG LYS 3 59.386 73.490 49.676 24 2HG LYS 3 1HG LYS 3 59.185 73.524 51.486 25 1HD LYS 3 2HD LYS 3 62.046 73.689 50.650 26 2HD LYS 3 1HD LYS 3 61.062 75.087 50.038 27 1HE LYS 3 2HE LYS 3 60.139 75.474 52.320 28 2HE LYS 3 1HE LYS 3 61.188 74.110 52.924 29 1HZ LYS 3 1HZ LYS 3 62.039 76.572 53.011 30 2HZ LYS 3 2HZ LYS 3 62.444 76.289 51.424 31 3HZ LYS 3 3HZ LYS 3 63.076 75.320 52.669 32 H ASP 4 H ASP 4 58.232 71.438 50.104 33 HA ASP 4 HA ASP 4 56.371 72.247 48.908 34 1HB ASP 4 2HB ASP 4 57.769 72.949 46.735 35 2HB ASP 4 1HB ASP 4 57.489 71.182 46.253 36 H GLN 5 H GLN 5 56.086 70.469 50.424 37 HA GLN 5 HA GLN 5 56.207 67.739 49.680 38 1HB GLN 5 2HB GLN 5 54.420 69.452 51.602 39 2HB GLN 5 1HB GLN 5 54.403 67.635 51.634 40 1HG GLN 5 2HG GLN 5 57.062 68.882 51.615 41 2HG GLN 5 1HG GLN 5 55.972 69.220 53.115 42 1HE2 GLN 5 2HE2 GLN 5 58.281 67.364 51.937 43 2HE2 GLN 5 1HE2 GLN 5 57.989 65.792 52.725 44 H ASN 6 H ASN 6 53.170 69.422 50.047 45 HA ASN 6 HA ASN 6 51.192 68.468 49.113 46 1HB ASN 6 2HB ASN 6 51.970 70.281 46.710 47 2HB ASN 6 1HB ASN 6 50.481 70.269 47.767 48 1HD2 ASN 6 1HD2 ASN 6 50.215 71.891 48.878 49 2HD2 ASN 6 2HD2 ASN 6 51.583 72.911 49.648 50 H GLY 7 H GLY 7 51.303 66.411 48.542 51 1HA GLY 7 1HA GLY 7 51.111 65.857 45.653 52 2HA GLY 7 2HA GLY 7 52.708 65.373 46.345 53 H THR 8 H THR 8 51.650 63.563 45.342 54 HA THR 8 HA THR 8 50.213 61.963 47.407 55 HB THR 8 HB THR 8 50.227 61.875 44.308 56 HG1 THR 8 1HG THR 8 48.493 62.896 45.145 57 1HG2 THR 8 1HG2 THR 8 50.641 59.451 45.300 58 2HG2 THR 8 2HG2 THR 8 48.950 59.597 44.602 59 3HG2 THR 8 3HG2 THR 8 49.211 59.725 46.362 60 H TRP 9 H TRP 9 50.738 59.843 47.625 61 HA TRP 9 HA TRP 9 53.365 58.959 46.636 62 1HB TRP 9 2HB TRP 9 53.805 59.003 49.540 63 2HB TRP 9 1HB TRP 9 54.879 59.518 48.155 64 HD1 TRP 9 HD1 TRP 9 51.487 60.696 49.646 65 HE1 TRP 9 HE1 TRP 9 51.341 63.155 50.084 66 HE3 TRP 9 HE3 TRP 9 56.075 61.684 48.176 67 HZ2 TRP 9 HZ2 TRP 9 53.102 65.218 49.778 68 HZ3 TRP 9 HZ3 TRP 9 56.873 64.026 48.287 69 HH2 TRP 9 HH2 TRP 9 55.489 65.755 49.041 70 H GLU 10 H GLU 10 51.563 57.266 46.083 71 HA GLU 10 HA GLU 10 50.637 55.572 48.208 72 1HB GLU 10 2HB GLU 10 51.246 54.914 45.240 73 2HB GLU 10 1HB GLU 10 50.232 53.871 46.368 74 1HG GLU 10 2HG GLU 10 48.513 55.467 46.477 75 2HG GLU 10 1HG GLU 10 49.669 56.797 45.835 76 H MET 11 H MET 11 52.232 54.983 49.539 77 HA MET 11 HA MET 11 54.933 54.336 49.320 78 1HB MET 11 2HB MET 11 52.533 53.206 50.970 79 2HB MET 11 1HB MET 11 54.146 52.388 51.002 80 1HG MET 11 2HG MET 11 54.803 55.133 51.417 81 2HG MET 11 1HG MET 11 53.212 54.961 52.154 82 1HE MET 11 1HE MET 11 53.952 53.439 55.507 83 2HE MET 11 2HE MET 11 52.797 52.791 54.213 84 3HE MET 11 3HE MET 11 53.038 54.501 54.425 85 H GLU 12 H GLU 12 56.115 52.657 49.090 86 HA GLU 12 HA GLU 12 55.095 50.362 47.382 87 1HB GLU 12 2HB GLU 12 57.996 51.312 47.426 88 2HB GLU 12 1HB GLU 12 57.102 50.203 46.279 89 1HG GLU 12 2HG GLU 12 55.518 52.386 45.960 90 2HG GLU 12 1HG GLU 12 57.122 53.200 46.505 91 H SER 13 H SER 13 57.429 51.365 50.005 92 HA SER 13 HA SER 13 57.082 48.655 51.164 93 1HB SER 13 2HB SER 13 59.367 49.402 49.363 94 2HB SER 13 1HB SER 13 59.853 48.727 51.001 95 HG SER 13 HG SER 13 58.430 47.033 50.440 96 H ASN 14 H ASN 14 58.780 48.281 52.627 97 HA ASN 14 HA ASN 14 59.801 50.443 54.356 98 1HB ASN 14 2HB ASN 14 58.572 48.269 56.012 99 2HB ASN 14 1HB ASN 14 58.080 50.027 55.983 100 1HD2 ASN 14 1HD2 ASN 14 56.205 50.318 55.342 101 2HD2 ASN 14 2HD2 ASN 14 55.194 49.163 54.236 102 H GLU 15 H GLU 15 61.265 49.725 55.877 103 HA GLU 15 HA GLU 15 62.485 47.216 54.748 104 1HB GLU 15 2HB GLU 15 63.465 49.791 55.773 105 2HB GLU 15 1HB GLU 15 64.277 48.476 56.694 106 1HG GLU 15 2HG GLU 15 63.956 48.418 53.657 107 2HG GLU 15 1HG GLU 15 65.409 49.203 54.551 108 H ASN 16 H ASN 16 61.217 48.494 57.840 109 HA ASN 16 HA ASN 16 61.656 45.746 58.925 110 1HB ASN 16 2HB ASN 16 62.581 48.300 60.085 111 2HB ASN 16 1HB ASN 16 61.487 47.232 61.216 112 1HD2 ASN 16 1HD2 ASN 16 63.988 47.888 61.812 113 2HD2 ASN 16 2HD2 ASN 16 64.994 46.312 61.799 114 H PHE 17 H PHE 17 59.754 45.372 58.136 115 HA PHE 17 HA PHE 17 57.202 46.689 58.603 116 1HB PHE 17 2HB PHE 17 57.337 43.655 58.704 117 2HB PHE 17 1HB PHE 17 56.186 44.812 57.830 118 HD1 PHE 17 HD1 PHE 17 59.322 42.981 57.644 119 HD2 PHE 17 HD2 PHE 17 56.849 45.822 55.749 120 HE1 PHE 17 HE1 PHE 17 60.620 42.690 55.565 121 HE2 PHE 17 HE2 PHE 17 58.143 45.572 53.588 122 HZ PHE 17 HZ PHE 17 60.052 43.979 53.499 123 H GLU 18 H GLU 18 59.180 44.388 60.390 124 HA GLU 18 HA GLU 18 57.276 44.002 62.578 125 1HB GLU 18 2HB GLU 18 58.945 42.263 62.331 126 2HB GLU 18 1HB GLU 18 60.218 43.523 61.991 127 1HG GLU 18 2HG GLU 18 60.611 42.400 64.085 128 2HG GLU 18 1HG GLU 18 60.298 44.212 64.393 129 H GLY 19 H GLY 19 59.897 46.283 61.976 130 1HA GLY 19 1HA GLY 19 59.799 47.166 64.851 131 2HA GLY 19 2HA GLY 19 60.673 48.013 63.500 132 H TYR 20 H TYR 20 57.986 47.775 61.877 133 HA TYR 20 HA TYR 20 56.976 50.414 62.794 134 1HB TYR 20 2HB TYR 20 56.884 48.688 60.470 135 2HB TYR 20 1HB TYR 20 55.173 48.637 61.090 136 HD1 TYR 20 HD1 TYR 20 55.711 51.791 62.056 137 HD2 TYR 20 HD2 TYR 20 55.901 49.401 58.524 138 HE1 TYR 20 HE1 TYR 20 55.227 53.796 60.670 139 HE2 TYR 20 HE2 TYR 20 55.425 51.259 57.109 140 HH TYR 20 HH TYR 20 55.447 54.532 58.363 141 H MET 21 H MET 21 55.952 47.040 62.828 142 HA MET 21 HA MET 21 53.463 47.390 64.159 143 1HB MET 21 2HB MET 21 54.182 45.294 62.984 144 2HB MET 21 1HB MET 21 55.613 45.165 64.084 145 1HG MET 21 2HG MET 21 52.821 45.238 65.315 146 2HG MET 21 1HG MET 21 53.196 43.744 64.487 147 1HE MET 21 1HE MET 21 53.914 41.641 66.209 148 2HE MET 21 2HE MET 21 55.762 41.814 66.039 149 3HE MET 21 3HE MET 21 54.796 42.246 64.733 150 H LYS 22 H LYS 22 56.681 47.510 65.263 151 HA LYS 22 HA LYS 22 55.957 47.113 68.102 152 1HB LYS 22 2HB LYS 22 58.227 46.294 67.709 153 2HB LYS 22 1HB LYS 22 58.451 47.445 66.305 154 1HG LYS 22 2HG LYS 22 59.960 48.117 67.943 155 2HG LYS 22 1HG LYS 22 58.629 49.337 68.025 156 1HD LYS 22 2HD LYS 22 57.630 47.816 69.959 157 2HD LYS 22 1HD LYS 22 59.215 46.881 69.825 158 1HE LYS 22 2HE LYS 22 60.306 49.295 70.164 159 2HE LYS 22 1HE LYS 22 58.656 49.776 70.774 160 1HZ LYS 22 1HZ LYS 22 58.877 47.793 72.229 161 2HZ LYS 22 2HZ LYS 22 60.076 48.975 72.520 162 3HZ LYS 22 3HZ LYS 22 60.489 47.604 71.746 163 H ALA 23 H ALA 23 55.977 49.466 65.858 164 HA ALA 23 HA ALA 23 56.459 51.752 67.594 165 1HB ALA 23 1HB ALA 23 54.458 51.795 65.231 166 2HB ALA 23 2HB ALA 23 56.243 51.764 65.002 167 3HB ALA 23 3HB ALA 23 55.461 53.180 65.862 168 H LEU 24 H LEU 24 53.978 49.574 67.305 169 HA LEU 24 HA LEU 24 52.700 50.427 69.731 170 1HB LEU 24 2HB LEU 24 50.445 50.985 68.777 171 2HB LEU 24 1HB LEU 24 51.674 52.262 68.344 172 HG LEU 24 HG LEU 24 50.860 50.034 66.329 173 1HD1 LEU 24 1HD1 LEU 24 49.167 51.216 65.604 174 2HD1 LEU 24 2HD1 LEU 24 49.846 52.816 66.014 175 3HD1 LEU 24 3HD1 LEU 24 49.102 51.780 67.331 176 1HD2 LEU 24 1HD2 LEU 24 52.806 52.354 66.319 177 2HD2 LEU 24 2HD2 LEU 24 51.634 52.281 64.948 178 3HD2 LEU 24 3HD2 LEU 24 52.717 50.888 65.284 179 H ASP 25 H ASP 25 51.527 49.035 70.423 180 HA ASP 25 HA ASP 25 51.378 46.311 69.410 181 1HB ASP 25 2HB ASP 25 49.615 46.146 71.431 182 2HB ASP 25 1HB ASP 25 51.430 46.259 71.688 183 H ILE 26 H ILE 26 50.568 47.022 67.406 184 HA ILE 26 HA ILE 26 47.649 47.374 67.278 185 HB ILE 26 HB ILE 26 49.390 48.723 65.926 186 1HG1 ILE 26 2HG1 ILE 26 48.092 48.725 63.776 187 2HG1 ILE 26 1HG1 ILE 26 47.244 47.202 64.363 188 1HG2 ILE 26 1HG2 ILE 26 49.780 45.964 64.636 189 2HG2 ILE 26 2HG2 ILE 26 50.978 47.158 65.271 190 3HG2 ILE 26 3HG2 ILE 26 50.071 47.534 63.720 191 1HD1 ILE 26 1HD1 ILE 26 46.153 49.605 64.848 192 2HD1 ILE 26 2HD1 ILE 26 47.339 49.659 66.237 193 3HD1 ILE 26 3HD1 ILE 26 46.144 48.318 66.073 194 H ASP 27 H ASP 27 50.163 45.190 66.769 195 HA ASP 27 HA ASP 27 49.861 42.933 67.266 196 1HB ASP 27 2HB ASP 27 47.321 43.076 67.212 197 2HB ASP 27 1HB ASP 27 47.448 42.669 65.371 198 H PHE 28 H PHE 28 50.346 40.962 65.801 199 HA PHE 28 HA PHE 28 52.171 41.818 63.753 200 1HB PHE 28 2HB PHE 28 51.486 39.405 65.330 201 2HB PHE 28 1HB PHE 28 51.549 39.014 63.558 202 HD1 PHE 28 HD1 PHE 28 53.724 40.625 62.577 203 HD2 PHE 28 HD2 PHE 28 53.295 38.721 66.404 204 HE1 PHE 28 HE1 PHE 28 56.274 40.519 62.817 205 HE2 PHE 28 HE2 PHE 28 55.736 38.631 66.629 206 HZ PHE 28 HZ PHE 28 57.257 39.570 64.795 207 H ALA 29 H ALA 29 48.874 40.784 63.722 208 HA ALA 29 HA ALA 29 48.553 39.899 60.955 209 1HB ALA 29 1HB ALA 29 46.986 39.822 63.194 210 2HB ALA 29 2HB ALA 29 46.311 39.974 61.500 211 3HB ALA 29 3HB ALA 29 46.426 41.442 62.555 212 H THR 30 H THR 30 48.753 42.930 62.598 213 HA THR 30 HA THR 30 47.570 44.501 60.467 214 HB THR 30 HB THR 30 49.234 45.224 62.914 215 HG1 THR 30 1HG THR 30 47.202 44.977 63.406 216 1HG2 THR 30 1HG2 THR 30 48.504 46.874 60.468 217 2HG2 THR 30 2HG2 THR 30 49.816 47.183 61.643 218 3HG2 THR 30 3HG2 THR 30 48.063 47.613 62.085 219 H ARG 31 H ARG 31 50.778 43.901 61.386 220 HA ARG 31 HA ARG 31 52.223 45.450 59.450 221 1HB ARG 31 2HB ARG 31 53.631 45.038 61.182 222 2HB ARG 31 1HB ARG 31 52.851 43.478 61.589 223 1HG ARG 31 2HG ARG 31 54.571 43.645 59.007 224 2HG ARG 31 1HG ARG 31 55.297 43.513 60.689 225 1HD ARG 31 2HD ARG 31 53.428 41.667 61.016 226 2HD ARG 31 1HD ARG 31 53.465 41.540 59.198 227 HE ARG 31 HE ARG 31 56.083 41.503 60.517 228 1HH1 ARG 31 1HH2 ARG 31 53.244 39.573 59.180 229 2HH1 ARG 31 2HH2 ARG 31 54.292 38.202 58.962 230 1HH2 ARG 31 2HH1 ARG 31 57.280 39.630 60.176 231 2HH2 ARG 31 1HH1 ARG 31 56.544 38.176 59.501 232 H LYS 32 H LYS 32 50.846 42.158 59.415 233 HA LYS 32 HA LYS 32 52.451 41.272 57.172 234 1HB LYS 32 2HB LYS 32 51.525 39.281 57.657 235 2HB LYS 32 1HB LYS 32 50.722 40.183 59.034 236 1HG LYS 32 2HG LYS 32 48.723 40.556 57.798 237 2HG LYS 32 1HG LYS 32 49.432 39.979 56.235 238 1HD LYS 32 2HD LYS 32 50.072 37.788 57.596 239 2HD LYS 32 1HD LYS 32 48.719 38.326 58.685 240 1HE LYS 32 2HE LYS 32 47.776 36.866 56.895 241 2HE LYS 32 1HE LYS 32 47.263 38.580 56.533 242 1HZ LYS 32 1HZ LYS 32 49.780 38.163 55.363 243 2HZ LYS 32 2HZ LYS 32 48.306 38.333 54.569 244 3HZ LYS 32 3HZ LYS 32 48.839 36.836 55.073 245 H ILE 33 H ILE 33 49.452 43.078 57.600 246 HA ILE 33 HA ILE 33 48.791 42.740 54.731 247 HB ILE 33 HB ILE 33 47.718 45.221 56.201 248 1HG1 ILE 33 2HG1 ILE 33 47.415 43.677 58.052 249 2HG1 ILE 33 1HG1 ILE 33 45.837 43.959 57.145 250 1HG2 ILE 33 1HG2 ILE 33 46.895 44.776 53.988 251 2HG2 ILE 33 2HG2 ILE 33 45.571 44.436 55.154 252 3HG2 ILE 33 3HG2 ILE 33 46.424 43.050 54.397 253 1HD1 ILE 33 1HD1 ILE 33 46.001 41.798 56.011 254 2HD1 ILE 33 2HD1 ILE 33 46.322 41.451 57.767 255 3HD1 ILE 33 3HD1 ILE 33 47.715 41.606 56.578 256 H ALA 34 H ALA 34 49.824 45.261 56.952 257 HA ALA 34 HA ALA 34 50.394 47.410 55.173 258 1HB ALA 34 1HB ALA 34 51.832 46.609 57.826 259 2HB ALA 34 2HB ALA 34 50.285 47.525 57.729 260 3HB ALA 34 3HB ALA 34 51.736 48.268 57.046 261 H VAL 35 H VAL 35 52.011 44.482 55.752 262 HA VAL 35 HA VAL 35 54.720 45.165 55.127 263 HB VAL 35 HB VAL 35 53.054 42.804 55.431 264 1HG1 VAL 35 1HG1 VAL 35 55.237 42.723 53.164 265 2HG1 VAL 35 2HG1 VAL 35 53.463 42.373 52.961 266 3HG1 VAL 35 3HG1 VAL 35 54.509 41.263 53.899 267 1HG2 VAL 35 1HG2 VAL 35 56.119 42.863 55.534 268 2HG2 VAL 35 2HG2 VAL 35 54.887 41.884 56.462 269 3HG2 VAL 35 3HG2 VAL 35 55.030 43.702 56.725 270 H ARG 36 H ARG 36 51.941 44.261 53.294 271 HA ARG 36 HA ARG 36 53.439 44.730 50.661 272 1HB ARG 36 2HB ARG 36 52.087 43.211 49.588 273 2HB ARG 36 1HB ARG 36 52.390 42.460 51.219 274 1HG ARG 36 2HG ARG 36 49.850 44.138 51.106 275 2HG ARG 36 1HG ARG 36 49.863 42.738 49.959 276 1HD ARG 36 2HD ARG 36 51.001 42.175 52.650 277 2HD ARG 36 1HD ARG 36 49.309 42.707 52.709 278 HE ARG 36 HE ARG 36 50.160 40.090 51.814 279 1HH1 ARG 36 1HH2 ARG 36 47.983 42.656 50.751 280 2HH1 ARG 36 2HH2 ARG 36 46.896 41.570 49.863 281 1HH2 ARG 36 1HH1 ARG 36 48.847 38.715 50.745 282 2HH2 ARG 36 2HH1 ARG 36 47.402 39.245 49.849 283 H LEU 37 H LEU 37 50.770 45.726 52.604 284 HA LEU 37 HA LEU 37 49.267 47.003 50.496 285 1HB LEU 37 2HB LEU 37 49.405 46.996 53.546 286 2HB LEU 37 1HB LEU 37 48.985 48.623 52.854 287 HG LEU 37 HG LEU 37 47.069 47.088 53.375 288 1HD1 LEU 37 1HD1 LEU 37 45.818 48.333 51.740 289 2HD1 LEU 37 2HD1 LEU 37 46.886 47.705 50.433 290 3HD1 LEU 37 3HD1 LEU 37 47.465 49.068 51.471 291 1HD2 LEU 37 1HD2 LEU 37 47.641 45.813 50.657 292 2HD2 LEU 37 2HD2 LEU 37 46.645 45.164 52.030 293 3HD2 LEU 37 3HD2 LEU 37 48.482 45.183 52.122 294 H THR 38 H THR 38 49.532 48.764 49.416 295 HA THR 38 HA THR 38 51.983 50.371 49.770 296 HB THR 38 HB THR 38 50.819 51.270 47.474 297 HG1 THR 38 1HG THR 38 49.819 49.089 46.784 298 1HG2 THR 38 1HG2 THR 38 51.831 49.334 46.140 299 2HG2 THR 38 2HG2 THR 38 51.767 48.239 47.525 300 3HG2 THR 38 3HG2 THR 38 52.925 49.666 47.547 301 H GLN 39 H GLN 39 51.189 51.397 51.718 302 HA GLN 39 HA GLN 39 48.898 52.765 52.072 303 1HB GLN 39 2HB GLN 39 50.775 52.451 53.702 304 2HB GLN 39 1HB GLN 39 51.780 53.636 52.719 305 1HG GLN 39 2HG GLN 39 50.722 54.729 54.745 306 2HG GLN 39 1HG GLN 39 50.130 55.406 53.160 307 1HE2 GLN 39 1HE2 GLN 39 48.104 55.734 53.172 308 2HE2 GLN 39 2HE2 GLN 39 46.828 54.801 54.010 309 H THR 40 H THR 40 47.874 54.117 51.062 310 HA THR 40 HA THR 40 49.045 56.130 49.247 311 HB THR 40 HB THR 40 46.111 55.929 50.183 312 HG1 THR 40 1HG THR 40 47.424 54.148 48.704 313 1HG2 THR 40 1HG2 THR 40 46.244 56.629 47.398 314 2HG2 THR 40 2HG2 THR 40 47.654 57.500 48.133 315 3HG2 THR 40 3HG2 THR 40 45.980 57.771 48.754 316 H LYS 41 H LYS 41 49.021 58.225 49.359 317 HA LYS 41 HA LYS 41 47.942 59.414 51.930 318 1HB LYS 41 2HB LYS 41 50.504 58.240 51.876 319 2HB LYS 41 1HB LYS 41 50.873 59.932 51.300 320 1HG LYS 41 2HG LYS 41 49.377 60.354 53.668 321 2HG LYS 41 1HG LYS 41 50.239 58.758 53.964 322 1HD LYS 41 2HD LYS 41 51.676 60.769 54.645 323 2HD LYS 41 1HD LYS 41 52.423 59.880 53.267 324 1HE LYS 41 2HE LYS 41 52.245 62.526 53.246 325 2HE LYS 41 1HE LYS 41 52.009 61.466 51.786 326 1HZ LYS 41 1HZ LYS 41 49.989 62.834 53.564 327 2HZ LYS 41 2HZ LYS 41 49.631 61.703 52.347 328 3HZ LYS 41 3HZ LYS 41 50.246 63.143 51.919 329 H ILE 42 H ILE 42 47.852 61.780 51.905 330 HA ILE 42 HA ILE 42 49.380 63.003 49.708 331 HB ILE 42 HB ILE 42 47.833 62.233 48.170 332 1HG1 ILE 42 2HG1 ILE 42 46.441 64.810 49.016 333 2HG1 ILE 42 1HG1 ILE 42 48.007 64.797 48.085 334 1HG2 ILE 42 1HG2 ILE 42 46.191 61.133 49.480 335 2HG2 ILE 42 2HG2 ILE 42 45.249 62.390 48.672 336 3HG2 ILE 42 3HG2 ILE 42 45.789 62.597 50.400 337 1HD1 ILE 42 1HD1 ILE 42 46.966 64.283 46.128 338 2HD1 ILE 42 2HD1 ILE 42 45.402 64.709 46.900 339 3HD1 ILE 42 3HD1 ILE 42 45.971 62.972 46.882 340 H ILE 43 H ILE 43 50.097 64.542 50.662 341 HA ILE 43 HA ILE 43 48.983 66.162 52.855 342 HB ILE 43 HB ILE 43 51.371 66.724 51.164 343 1HG1 ILE 43 2HG1 ILE 43 51.196 64.482 53.324 344 2HG1 ILE 43 1HG1 ILE 43 51.708 64.296 51.585 345 1HG2 ILE 43 1HG2 ILE 43 51.419 68.277 52.862 346 2HG2 ILE 43 2HG2 ILE 43 51.988 66.971 53.968 347 3HG2 ILE 43 3HG2 ILE 43 50.231 67.275 53.896 348 1HD1 ILE 43 1HD1 ILE 43 53.771 64.484 52.356 349 2HD1 ILE 43 2HD1 ILE 43 53.250 65.134 53.976 350 3HD1 ILE 43 3HD1 ILE 43 53.404 66.271 52.589 351 H VAL 44 H VAL 44 49.153 68.457 52.761 352 HA VAL 44 HA VAL 44 49.122 69.772 50.060 353 HB VAL 44 HB VAL 44 46.916 68.597 50.279 354 1HG1 VAL 44 1HG1 VAL 44 46.878 69.493 52.910 355 2HG1 VAL 44 2HG1 VAL 44 45.538 68.745 51.904 356 3HG1 VAL 44 3HG1 VAL 44 45.615 70.514 52.048 357 1HG2 VAL 44 1HG2 VAL 44 46.077 70.344 48.900 358 2HG2 VAL 44 2HG2 VAL 44 47.438 71.384 49.498 359 3HG2 VAL 44 3HG2 VAL 44 45.870 71.401 50.368 360 H GLN 45 H GLN 45 50.747 70.178 52.178 361 HA GLN 45 HA GLN 45 49.739 72.157 53.973 362 1HB GLN 45 2HB GLN 45 52.108 72.247 54.692 363 2HB GLN 45 1HB GLN 45 51.741 70.518 54.296 364 1HG GLN 45 2HG GLN 45 53.639 70.721 52.982 365 2HG GLN 45 1HG GLN 45 52.512 71.757 51.849 366 1HE2 GLN 45 1HE2 GLN 45 54.415 71.568 54.710 367 2HE2 GLN 45 2HE2 GLN 45 55.188 73.267 54.639 368 H ASP 46 H ASP 46 50.423 74.148 54.342 369 HA ASP 46 HA ASP 46 51.145 75.622 51.832 370 1HB ASP 46 2HB ASP 46 48.623 75.429 52.638 371 2HB ASP 46 1HB ASP 46 49.068 76.774 53.804 372 H GLY 47 H GLY 47 50.992 75.754 55.294 373 1HA GLY 47 1HA GLY 47 53.409 77.482 55.364 374 2HA GLY 47 2HA GLY 47 51.986 78.126 56.292 375 H ASP 48 H ASP 48 51.103 76.967 57.884 376 HA ASP 48 HA ASP 48 52.857 74.887 59.138 377 1HB ASP 48 2HB ASP 48 51.981 77.682 60.109 378 2HB ASP 48 1HB ASP 48 52.136 76.325 61.415 379 H ASN 49 H ASN 49 50.208 75.222 57.806 380 HA ASN 49 HA ASN 49 48.553 73.588 59.717 381 1HB ASN 49 2HB ASN 49 46.519 74.941 58.412 382 2HB ASN 49 1HB ASN 49 47.338 75.571 59.932 383 1HD2 ASN 49 1HD2 ASN 49 47.650 75.399 56.415 384 2HD2 ASN 49 2HD2 ASN 49 48.232 77.220 56.249 385 H PHE 50 H PHE 50 49.509 71.886 58.468 386 HA PHE 50 HA PHE 50 48.152 71.499 55.842 387 1HB PHE 50 2HB PHE 50 49.995 70.355 55.070 388 2HB PHE 50 1HB PHE 50 50.762 71.699 56.057 389 HD1 PHE 50 HD1 PHE 50 49.975 68.010 56.049 390 HD2 PHE 50 HD2 PHE 50 51.857 71.358 58.021 391 HE1 PHE 50 HE1 PHE 50 51.197 66.478 57.597 392 HE2 PHE 50 HE2 PHE 50 53.072 69.830 59.550 393 HZ PHE 50 HZ PHE 50 52.696 67.385 59.286 394 H LYS 51 H LYS 51 47.533 69.319 55.121 395 HA LYS 51 HA LYS 51 47.404 67.455 57.459 396 1HB LYS 51 2HB LYS 51 45.000 67.100 57.190 397 2HB LYS 51 1HB LYS 51 45.354 68.897 57.461 398 1HG LYS 51 2HG LYS 51 43.816 69.036 55.670 399 2HG LYS 51 1HG LYS 51 45.376 68.820 54.720 400 1HD LYS 51 2HD LYS 51 44.450 66.950 53.882 401 2HD LYS 51 1HD LYS 51 44.385 66.262 55.599 402 1HE LYS 51 2HE LYS 51 42.200 66.072 54.755 403 2HE LYS 51 1HE LYS 51 42.155 67.564 55.789 404 1HZ LYS 51 1HZ LYS 51 42.874 67.940 52.973 405 2HZ LYS 51 2HZ LYS 51 41.826 68.865 53.887 406 3HZ LYS 51 3HZ LYS 51 41.342 67.407 53.205 407 H THR 52 H THR 52 47.269 65.440 57.084 408 HA THR 52 HA THR 52 47.307 64.499 54.143 409 HB THR 52 HB THR 52 49.574 64.593 54.595 410 HG1 THR 52 1HG THR 52 48.954 62.168 55.838 411 1HG2 THR 52 1HG2 THR 52 48.937 63.880 57.606 412 2HG2 THR 52 2HG2 THR 52 49.552 65.472 57.003 413 3HG2 THR 52 3HG2 THR 52 50.568 63.989 56.893 414 H LYS 53 H LYS 53 46.211 62.621 53.810 415 HA LYS 53 HA LYS 53 45.525 61.097 56.391 416 1HB LYS 53 2HB LYS 53 43.586 61.050 54.016 417 2HB LYS 53 1HB LYS 53 43.271 60.810 55.806 418 1HG LYS 53 2HG LYS 53 42.271 62.800 55.341 419 2HG LYS 53 1HG LYS 53 43.962 63.375 55.861 420 1HD LYS 53 2HD LYS 53 44.052 64.537 53.984 421 2HD LYS 53 1HD LYS 53 44.208 62.917 53.138 422 1HE LYS 53 2HE LYS 53 41.353 63.671 53.670 423 2HE LYS 53 1HE LYS 53 42.238 64.822 52.561 424 1HZ LYS 53 1HZ LYS 53 43.053 62.458 51.654 425 2HZ LYS 53 2HZ LYS 53 41.627 63.152 51.121 426 3HZ LYS 53 3HZ LYS 53 41.569 61.978 52.246 427 H THR 54 H THR 54 45.557 59.084 56.392 428 HA THR 54 HA THR 54 46.915 57.692 54.083 429 HB THR 54 HB THR 54 47.286 55.975 56.099 430 HG1 THR 54 1HG THR 54 46.363 57.335 57.545 431 1HG2 THR 54 1HG2 THR 54 48.967 57.053 54.475 432 2HG2 THR 54 2HG2 THR 54 49.606 56.966 56.197 433 3HG2 THR 54 3HG2 THR 54 49.097 58.507 55.513 434 H ASN 55 H ASN 55 45.302 56.990 52.914 435 HA ASN 55 HA ASN 55 43.211 55.177 54.125 436 1HB ASN 55 2HB ASN 55 43.337 57.193 52.023 437 2HB ASN 55 1HB ASN 55 42.625 55.536 51.390 438 1HD2 ASN 55 2HD2 ASN 55 40.605 55.497 51.516 439 2HD2 ASN 55 1HD2 ASN 55 39.589 56.326 52.847 440 H SER 56 H SER 56 44.568 53.632 54.616 441 HA SER 56 HA SER 56 44.633 51.297 52.959 442 1HB SER 56 2HB SER 56 46.826 53.391 52.437 443 2HB SER 56 1HB SER 56 47.253 51.603 52.333 444 HG SER 56 HG SER 56 45.002 52.114 50.935 445 H THR 57 H THR 57 46.422 49.983 53.061 446 HA THR 57 HA THR 57 47.752 48.547 54.372 447 HB THR 57 HB THR 57 48.204 51.163 55.938 448 HG1 THR 57 1HG THR 57 50.064 50.387 54.126 449 1HG2 THR 57 1HG2 THR 57 49.855 50.099 57.083 450 2HG2 THR 57 2HG2 THR 57 50.496 49.261 55.581 451 3HG2 THR 57 3HG2 THR 57 49.171 48.490 56.533 452 H PHE 58 H PHE 58 45.165 48.906 54.508 453 HA PHE 58 HA PHE 58 43.286 48.086 55.441 454 1HB PHE 58 2HB PHE 58 43.535 45.979 56.223 455 2HB PHE 58 1HB PHE 58 45.286 46.330 56.051 456 HD1 PHE 58 HD1 PHE 58 45.543 48.140 58.699 457 HD2 PHE 58 HD2 PHE 58 43.768 44.351 57.805 458 HE1 PHE 58 HE1 PHE 58 45.915 47.448 61.031 459 HE2 PHE 58 HE2 PHE 58 44.143 43.676 60.100 460 HZ PHE 58 HZ PHE 58 45.185 45.111 61.724 461 H ARG 59 H ARG 59 44.346 50.509 56.275 462 HA ARG 59 HA ARG 59 42.441 50.939 58.652 463 1HB ARG 59 2HB ARG 59 45.333 51.921 58.510 464 2HB ARG 59 1HB ARG 59 44.111 52.507 59.714 465 1HG ARG 59 2HG ARG 59 44.587 49.524 59.496 466 2HG ARG 59 1HG ARG 59 45.736 50.652 60.436 467 1HD ARG 59 2HD ARG 59 44.122 50.311 62.183 468 2HD ARG 59 1HD ARG 59 43.208 51.464 61.123 469 HE ARG 59 HE ARG 59 43.114 48.592 60.419 470 1HH1 ARG 59 2HH2 ARG 59 41.495 51.428 61.991 471 2HH1 ARG 59 1HH2 ARG 59 39.944 50.703 61.905 472 1HH2 ARG 59 1HH1 ARG 59 40.835 47.677 60.365 473 2HH2 ARG 59 2HH1 ARG 59 39.573 48.709 61.043 474 H ASN 60 H ASN 60 42.239 52.909 59.353 475 HA ASN 60 HA ASN 60 42.282 54.922 57.157 476 1HB ASN 60 2HB ASN 60 40.025 53.995 59.031 477 2HB ASN 60 1HB ASN 60 40.008 55.767 58.455 478 1HD2 ASN 60 1HD2 ASN 60 39.215 56.243 56.664 479 2HD2 ASN 60 2HD2 ASN 60 38.710 55.121 55.373 480 H TYR 61 H TYR 61 44.059 55.577 58.006 481 HA TYR 61 HA TYR 61 43.926 56.873 60.714 482 1HB TYR 61 2HB TYR 61 45.530 55.018 60.474 483 2HB TYR 61 1HB TYR 61 46.311 55.795 59.009 484 HD1 TYR 61 HD1 TYR 61 45.272 57.186 62.366 485 HD2 TYR 61 HD2 TYR 61 48.458 56.365 59.618 486 HE1 TYR 61 HE1 TYR 61 46.827 58.371 63.881 487 HE2 TYR 61 HE2 TYR 61 50.033 57.549 61.120 488 HH TYR 61 HH TYR 61 48.854 59.313 63.937 489 H ASP 62 H ASP 62 44.944 58.904 61.044 490 HA ASP 62 HA ASP 62 45.663 60.441 58.616 491 1HB ASP 62 2HB ASP 62 44.200 62.201 59.019 492 2HB ASP 62 1HB ASP 62 43.217 60.585 59.264 493 H LEU 63 H LEU 63 46.810 62.282 58.895 494 HA LEU 63 HA LEU 63 48.231 62.622 61.554 495 1HB LEU 63 2HB LEU 63 49.254 61.757 58.956 496 2HB LEU 63 1HB LEU 63 49.965 63.386 59.318 497 HG LEU 63 HG LEU 63 51.413 61.536 60.219 498 1HD1 LEU 63 1HD1 LEU 63 50.212 63.758 61.798 499 2HD1 LEU 63 2HD1 LEU 63 51.896 63.050 61.653 500 3HD1 LEU 63 3HD1 LEU 63 50.643 62.386 62.831 501 1HD2 LEU 63 1HD2 LEU 63 48.972 60.196 60.620 502 2HD2 LEU 63 2HD2 LEU 63 49.384 60.721 62.277 503 3HD2 LEU 63 3HD2 LEU 63 50.623 59.775 61.361 504 H ASP 64 H ASP 64 45.841 64.129 60.329 505 HA ASP 64 HA ASP 64 46.840 66.600 59.325 506 1HB ASP 64 2HB ASP 64 44.727 67.436 59.754 507 2HB ASP 64 1HB ASP 64 44.367 65.582 59.711 508 H PHE 65 H PHE 65 48.098 68.056 60.125 509 HA PHE 65 HA PHE 65 48.111 68.830 62.951 510 1HB PHE 65 2HB PHE 65 49.280 66.848 63.358 511 2HB PHE 65 1HB PHE 65 50.136 66.896 61.749 512 HD1 PHE 65 HD1 PHE 65 49.760 69.362 64.595 513 HD2 PHE 65 HD2 PHE 65 52.284 67.009 62.068 514 HE1 PHE 65 HE1 PHE 65 51.688 70.373 65.682 515 HE2 PHE 65 HE2 PHE 65 54.294 68.031 63.169 516 HZ PHE 65 HZ PHE 65 53.991 69.731 64.987 517 H THR 66 H THR 66 49.116 70.546 63.224 518 HA THR 66 HA THR 66 49.900 72.399 61.113 519 HB THR 66 HB THR 66 50.958 73.290 63.612 520 HG1 THR 66 1HG THR 66 48.508 72.159 64.190 521 1HG2 THR 66 1HG2 THR 66 48.124 73.976 63.635 522 2HG2 THR 66 2HG2 THR 66 48.560 73.821 61.892 523 3HG2 THR 66 3HG2 THR 66 49.478 74.979 62.893 524 H VAL 67 H VAL 67 51.943 73.787 61.585 525 HA VAL 67 HA VAL 67 54.090 71.654 61.490 526 HB VAL 67 HB VAL 67 53.996 74.590 60.694 527 1HG1 VAL 67 1HG1 VAL 67 56.493 73.715 59.819 528 2HG1 VAL 67 2HG1 VAL 67 56.404 72.952 61.444 529 3HG1 VAL 67 3HG1 VAL 67 56.220 74.789 61.264 530 1HG2 VAL 67 1HG2 VAL 67 55.057 72.171 59.073 531 2HG2 VAL 67 2HG2 VAL 67 54.329 73.729 58.440 532 3HG2 VAL 67 3HG2 VAL 67 53.307 72.463 59.266 533 H GLY 68 H GLY 68 54.557 70.951 63.290 534 1HA GLY 68 1HA GLY 68 55.803 71.008 65.329 535 2HA GLY 68 2HA GLY 68 56.358 72.670 64.790 536 H VAL 69 H VAL 69 52.944 72.395 64.994 537 HA VAL 69 HA VAL 69 53.091 73.826 67.646 538 HB VAL 69 HB VAL 69 50.665 73.469 65.731 539 1HG1 VAL 69 1HG1 VAL 69 51.227 75.258 68.069 540 2HG1 VAL 69 2HG1 VAL 69 49.663 74.690 67.424 541 3HG1 VAL 69 3HG1 VAL 69 50.587 76.027 66.556 542 1HG2 VAL 69 1HG2 VAL 69 52.651 75.761 65.513 543 2HG2 VAL 69 2HG2 VAL 69 51.193 75.417 64.501 544 3HG2 VAL 69 3HG2 VAL 69 52.674 74.351 64.353 545 H GLU 70 H GLU 70 53.691 71.917 68.366 546 HA GLU 70 HA GLU 70 53.028 69.476 68.559 547 1HB GLU 70 2HB GLU 70 53.915 71.051 70.456 548 2HB GLU 70 1HB GLU 70 52.259 70.743 71.207 549 1HG GLU 70 2HG GLU 70 52.792 68.216 70.611 550 2HG GLU 70 1HG GLU 70 54.524 68.844 71.038 551 H PHE 71 H PHE 71 51.495 68.523 67.787 552 HA PHE 71 HA PHE 71 48.689 69.077 68.901 553 1HB PHE 71 2HB PHE 71 49.616 68.211 66.193 554 2HB PHE 71 1HB PHE 71 48.178 67.337 66.804 555 HD1 PHE 71 HD1 PHE 71 48.686 70.897 67.958 556 HD2 PHE 71 HD2 PHE 71 46.951 68.371 64.984 557 HE1 PHE 71 HE1 PHE 71 47.269 72.721 67.218 558 HE2 PHE 71 HE2 PHE 71 45.503 70.189 64.218 559 HZ PHE 71 HZ PHE 71 45.691 72.450 65.398 560 H ASP 72 H ASP 72 48.096 67.743 70.444 561 HA ASP 72 HA ASP 72 49.126 65.077 70.788 562 1HB ASP 72 2HB ASP 72 46.709 66.596 72.018 563 2HB ASP 72 1HB ASP 72 47.247 64.924 72.562 564 H GLU 73 H GLU 73 48.526 63.927 68.892 565 HA GLU 73 HA GLU 73 45.760 63.627 67.936 566 1HB GLU 73 2HB GLU 73 48.526 62.391 67.343 567 2HB GLU 73 1HB GLU 73 47.046 61.812 66.481 568 1HG GLU 73 2HG GLU 73 46.594 63.971 65.612 569 2HG GLU 73 1HG GLU 73 47.795 64.817 66.758 570 H HIS 74 H HIS 74 45.302 61.390 67.334 571 HA HIS 74 HA HIS 74 45.772 59.345 69.423 572 1HB HIS 74 2HB HIS 74 43.556 61.159 69.691 573 2HB HIS 74 1HB HIS 74 42.837 59.683 68.912 574 HD1 HIS 74 HD1 HIS 74 43.892 60.907 72.250 575 HD2 HIS 74 HD2 HIS 74 43.487 57.290 70.167 576 HE1 HIS 74 HE1 HIS 74 43.826 59.002 74.030 577 HE2 HIS 74 HE2 HIS 74 43.585 56.836 72.787 578 H THR 75 H THR 75 45.591 57.479 68.802 579 HA THR 75 HA THR 75 44.772 57.013 65.951 580 HB THR 75 HB THR 75 46.143 55.112 65.881 581 HG1 THR 75 1HG THR 75 46.716 54.019 67.595 582 1HG2 THR 75 1HG2 THR 75 47.418 56.992 68.059 583 2HG2 THR 75 2HG2 THR 75 47.369 57.476 66.295 584 3HG2 THR 75 3HG2 THR 75 48.370 56.072 66.801 585 H LYS 76 H LYS 76 42.864 57.221 67.919 586 HA LYS 76 HA LYS 76 41.666 55.064 69.192 587 1HB LYS 76 2HB LYS 76 40.084 56.881 67.227 588 2HB LYS 76 1HB LYS 76 39.471 55.881 68.595 589 1HG LYS 76 2HG LYS 76 41.487 57.138 69.939 590 2HG LYS 76 1HG LYS 76 41.050 58.404 68.661 591 1HD LYS 76 2HD LYS 76 39.188 57.046 70.652 592 2HD LYS 76 1HD LYS 76 39.726 58.809 70.724 593 1HE LYS 76 2HE LYS 76 38.659 59.231 68.494 594 2HE LYS 76 1HE LYS 76 38.067 57.549 68.435 595 1HZ LYS 76 1HZ LYS 76 37.369 59.659 70.387 596 2HZ LYS 76 2HZ LYS 76 36.795 58.080 70.502 597 3HZ LYS 76 3HZ LYS 76 36.322 59.065 69.244 598 H GLY 77 H GLY 77 41.269 55.766 65.795 599 1HA GLY 77 1HA GLY 77 39.607 53.683 64.944 600 2HA GLY 77 2HA GLY 77 40.909 54.451 63.899 601 H LEU 78 H LEU 78 43.000 53.821 65.657 602 HA LEU 78 HA LEU 78 43.442 51.038 64.591 603 1HB LEU 78 2HB LEU 78 45.222 53.357 65.392 604 2HB LEU 78 1HB LEU 78 45.907 51.703 65.580 605 HG LEU 78 HG LEU 78 44.333 52.047 63.077 606 1HD1 LEU 78 1HD1 LEU 78 46.552 54.105 63.426 607 2HD1 LEU 78 2HD1 LEU 78 44.753 54.350 63.128 608 3HD1 LEU 78 3HD1 LEU 78 45.770 53.600 61.862 609 1HD2 LEU 78 1HD2 LEU 78 46.017 50.420 62.623 610 2HD2 LEU 78 2HD2 LEU 78 47.207 51.110 63.807 611 3HD2 LEU 78 3HD2 LEU 78 47.018 51.859 62.223 612 H ASP 79 H ASP 79 45.198 52.297 67.463 613 HA ASP 79 HA ASP 79 43.988 50.016 68.936 614 1HB ASP 79 2HB ASP 79 46.262 49.602 68.396 615 2HB ASP 79 1HB ASP 79 46.841 51.187 69.237 616 H GLY 80 H GLY 80 44.724 53.479 68.951 617 1HA GLY 80 1HA GLY 80 43.631 55.050 70.211 618 2HA GLY 80 2HA GLY 80 43.217 53.820 71.492 619 H ARG 81 H ARG 81 46.184 54.550 69.906 620 HA ARG 81 HA ARG 81 47.577 54.828 72.495 621 1HB ARG 81 2HB ARG 81 48.392 54.469 69.797 622 2HB ARG 81 1HB ARG 81 49.141 56.096 70.299 623 1HG ARG 81 2HG ARG 81 50.727 54.493 71.103 624 2HG ARG 81 1HG ARG 81 49.676 54.792 72.506 625 1HD ARG 81 2HD ARG 81 49.258 52.609 70.357 626 2HD ARG 81 1HD ARG 81 50.224 52.203 71.839 627 HE ARG 81 HE ARG 81 47.281 52.528 71.574 628 1HH1 ARG 81 1HH1 ARG 81 50.181 52.357 73.749 629 2HH1 ARG 81 2HH1 ARG 81 49.258 51.870 75.159 630 1HH2 ARG 81 2HH2 ARG 81 46.097 51.901 73.406 631 2HH2 ARG 81 1HH2 ARG 81 46.846 51.588 74.937 632 H ASN 82 H ASN 82 49.044 56.827 72.916 633 HA ASN 82 HA ASN 82 47.408 59.208 72.366 634 1HB ASN 82 2HB ASN 82 48.380 59.605 75.036 635 2HB ASN 82 1HB ASN 82 46.652 58.985 74.655 636 1HD2 ASN 82 1HD2 ASN 82 50.063 58.163 74.937 637 2HD2 ASN 82 2HD2 ASN 82 49.858 56.585 75.691 638 H VAL 83 H VAL 83 48.552 60.320 71.236 639 HA VAL 83 HA VAL 83 51.468 60.752 72.038 640 HB VAL 83 HB VAL 83 52.239 60.051 70.096 641 1HG1 VAL 83 1HG1 VAL 83 50.802 58.172 70.837 642 2HG1 VAL 83 2HG1 VAL 83 50.946 58.175 69.033 643 3HG1 VAL 83 3HG1 VAL 83 49.448 58.796 69.832 644 1HG2 VAL 83 1HG2 VAL 83 49.609 61.252 68.957 645 2HG2 VAL 83 2HG2 VAL 83 50.595 60.216 67.899 646 3HG2 VAL 83 3HG2 VAL 83 51.291 61.790 68.548 647 H LYS 84 H LYS 84 52.534 62.317 71.284 648 HA LYS 84 HA LYS 84 51.169 64.855 70.468 649 1HB LYS 84 2HB LYS 84 53.464 64.225 72.394 650 2HB LYS 84 1HB LYS 84 53.103 65.882 71.756 651 1HG LYS 84 2HG LYS 84 51.678 65.946 73.706 652 2HG LYS 84 1HG LYS 84 50.599 65.202 72.413 653 1HD LYS 84 2HD LYS 84 50.570 63.997 74.654 654 2HD LYS 84 1HD LYS 84 51.004 62.993 73.193 655 1HE LYS 84 2HE LYS 84 53.345 62.770 73.918 656 2HE LYS 84 1HE LYS 84 53.172 64.412 74.749 657 1HZ LYS 84 1HZ LYS 84 53.254 62.301 76.229 658 2HZ LYS 84 2HZ LYS 84 51.669 62.126 75.756 659 3HZ LYS 84 3HZ LYS 84 52.183 63.529 76.515 660 H THR 85 H THR 85 51.526 65.073 68.506 661 HA THR 85 HA THR 85 54.097 64.371 67.116 662 HB THR 85 HB THR 85 51.317 64.422 66.616 663 HG1 THR 85 1HG THR 85 51.969 63.213 65.172 664 1HG2 THR 85 1HG2 THR 85 51.703 66.898 65.714 665 2HG2 THR 85 2HG2 THR 85 51.510 65.788 64.346 666 3HG2 THR 85 3HG2 THR 85 53.194 66.314 64.852 667 H LEU 86 H LEU 86 55.510 65.546 66.281 668 HA LEU 86 HA LEU 86 55.133 68.506 66.293 669 1HB LEU 86 2HB LEU 86 56.026 67.597 68.593 670 2HB LEU 86 1HB LEU 86 57.586 67.396 67.620 671 HG LEU 86 HG LEU 86 56.892 70.025 66.947 672 1HD1 LEU 86 1HD1 LEU 86 57.013 70.112 69.917 673 2HD1 LEU 86 2HD1 LEU 86 55.479 69.357 69.316 674 3HD1 LEU 86 3HD1 LEU 86 55.917 71.017 68.714 675 1HD2 LEU 86 1HD2 LEU 86 58.835 70.477 68.637 676 2HD2 LEU 86 2HD2 LEU 86 59.136 69.363 67.231 677 3HD2 LEU 86 3HD2 LEU 86 58.872 68.694 68.887 678 H VAL 87 H VAL 87 55.672 68.999 64.405 679 HA VAL 87 HA VAL 87 57.981 67.868 62.978 680 HB VAL 87 HB VAL 87 55.378 69.298 62.261 681 1HG1 VAL 87 1HG1 VAL 87 57.964 70.183 60.801 682 2HG1 VAL 87 2HG1 VAL 87 56.880 71.150 61.853 683 3HG1 VAL 87 3HG1 VAL 87 56.274 70.476 60.268 684 1HG2 VAL 87 1HG2 VAL 87 55.906 68.207 60.014 685 2HG2 VAL 87 2HG2 VAL 87 55.964 66.991 61.373 686 3HG2 VAL 87 3HG2 VAL 87 57.480 67.661 60.648 687 H THR 88 H THR 88 59.671 69.125 62.252 688 HA THR 88 HA THR 88 59.927 71.814 63.630 689 HB THR 88 HB THR 88 61.734 69.380 63.395 690 HG1 THR 88 1HG THR 88 60.022 69.408 64.871 691 1HG2 THR 88 1HG2 THR 88 62.153 72.303 64.212 692 2HG2 THR 88 2HG2 THR 88 63.437 71.215 63.629 693 3HG2 THR 88 3HG2 THR 88 62.845 71.028 65.366 694 H TRP 89 H TRP 89 60.200 70.038 60.615 695 HA TRP 89 HA TRP 89 61.157 70.581 58.496 696 1HB TRP 89 2HB TRP 89 61.012 73.364 59.860 697 2HB TRP 89 1HB TRP 89 61.940 73.115 58.329 698 HD1 TRP 89 HD1 TRP 89 58.376 72.574 59.788 699 HE1 TRP 89 HE1 TRP 89 56.906 72.396 57.764 700 HE3 TRP 89 HE3 TRP 89 61.933 72.691 56.273 701 HZ2 TRP 89 HZ2 TRP 89 57.265 72.319 54.769 702 HZ3 TRP 89 HZ3 TRP 89 61.478 72.567 53.973 703 HH2 TRP 89 HH2 TRP 89 59.174 72.386 53.189 704 H GLU 90 H GLU 90 62.826 69.743 57.831 705 HA GLU 90 HA GLU 90 65.366 70.587 59.297 706 1HB GLU 90 2HB GLU 90 64.244 68.134 59.292 707 2HB GLU 90 1HB GLU 90 65.319 68.018 57.810 708 1HG GLU 90 2HG GLU 90 66.749 67.355 59.791 709 2HG GLU 90 1HG GLU 90 67.036 69.187 59.513 710 H GLY 91 H GLY 91 64.551 72.277 57.559 711 1HA GLY 91 1HA GLY 91 65.666 73.604 56.044 712 2HA GLY 91 2HA GLY 91 66.623 72.173 55.390 713 H ASN 92 H ASN 92 65.371 70.584 54.502 714 HA ASN 92 HA ASN 92 63.379 71.593 52.506 715 1HB ASN 92 2HB ASN 92 64.340 68.765 52.165 716 2HB ASN 92 1HB ASN 92 64.221 70.187 50.969 717 1HD2 ASN 92 1HD2 ASN 92 65.507 72.036 51.973 718 2HD2 ASN 92 2HD2 ASN 92 67.200 71.723 52.242 719 H THR 93 H THR 93 64.118 69.104 54.843 720 HA THR 93 HA THR 93 61.793 67.459 54.582 721 HB THR 93 HB THR 93 63.315 67.538 57.225 722 HG1 THR 93 1HG THR 93 64.426 67.091 54.741 723 1HG2 THR 93 1HG2 THR 93 62.256 65.381 57.006 724 2HG2 THR 93 2HG2 THR 93 63.699 65.098 55.993 725 3HG2 THR 93 3HG2 THR 93 62.142 65.543 55.177 726 H LEU 94 H LEU 94 61.106 67.086 57.240 727 HA LEU 94 HA LEU 94 59.606 69.422 58.213 728 1HB LEU 94 2HB LEU 94 57.430 68.047 58.359 729 2HB LEU 94 1HB LEU 94 58.011 68.655 56.752 730 HG LEU 94 HG LEU 94 59.331 66.252 56.919 731 1HD1 LEU 94 1HD1 LEU 94 56.960 66.149 58.683 732 2HD1 LEU 94 2HD1 LEU 94 58.247 64.923 58.406 733 3HD1 LEU 94 3HD1 LEU 94 56.785 64.930 57.297 734 1HD2 LEU 94 1HD2 LEU 94 57.983 65.660 55.026 735 2HD2 LEU 94 2HD2 LEU 94 57.714 67.467 55.105 736 3HD2 LEU 94 3HD2 LEU 94 56.492 66.269 55.770 737 H VAL 95 H VAL 95 60.430 65.977 58.597 738 HA VAL 95 HA VAL 95 60.718 64.676 60.354 739 HB VAL 95 HB VAL 95 61.830 67.338 61.443 740 1HG1 VAL 95 1HG1 VAL 95 61.812 64.662 62.681 741 2HG1 VAL 95 2HG1 VAL 95 62.422 66.211 63.370 742 3HG1 VAL 95 3HG1 VAL 95 63.472 65.183 62.278 743 1HG2 VAL 95 1HG2 VAL 95 62.733 66.355 59.129 744 2HG2 VAL 95 2HG2 VAL 95 63.241 64.924 60.113 745 3HG2 VAL 95 3HG2 VAL 95 64.040 66.519 60.442 746 H CYS 96 H CYS 96 58.641 64.408 60.926 747 HA CYS 96 HA CYS 96 57.547 65.832 63.290 748 1HB CYS 96 2HB CYS 96 56.206 64.910 61.003 749 2HB CYS 96 1HB CYS 96 56.199 63.390 61.910 750 HG CYS 96 HG CYS 96 53.929 64.249 62.547 751 H VAL 97 H VAL 97 56.744 64.422 65.038 752 HA VAL 97 HA VAL 97 57.724 61.722 65.285 753 HB VAL 97 HB VAL 97 59.760 63.209 65.368 754 1HG1 VAL 97 1HG1 VAL 97 60.236 64.314 67.571 755 2HG1 VAL 97 2HG1 VAL 97 58.757 63.569 68.309 756 3HG1 VAL 97 3HG1 VAL 97 58.580 64.872 67.051 757 1HG2 VAL 97 1HG2 VAL 97 58.792 61.042 67.122 758 2HG2 VAL 97 2HG2 VAL 97 60.421 61.759 67.629 759 3HG2 VAL 97 3HG2 VAL 97 60.119 61.029 65.946 760 H GLN 98 H GLN 98 56.707 60.766 66.774 761 HA GLN 98 HA GLN 98 54.799 62.196 68.625 762 1HB GLN 98 2HB GLN 98 55.046 59.290 67.670 763 2HB GLN 98 1HB GLN 98 53.733 59.893 68.843 764 1HG GLN 98 2HG GLN 98 52.936 61.434 67.031 765 2HG GLN 98 1HG GLN 98 54.120 60.652 65.882 766 1HE2 GLN 98 1HE2 GLN 98 51.735 60.559 65.050 767 2HE2 GLN 98 2HE2 GLN 98 50.959 58.997 65.333 768 H LYS 99 H LYS 99 54.259 61.279 70.525 769 HA LYS 99 HA LYS 99 56.498 59.858 71.929 770 1HB LYS 99 2HB LYS 99 55.451 62.025 73.618 771 2HB LYS 99 1HB LYS 99 57.142 61.468 73.384 772 1HG LYS 99 2HG LYS 99 55.563 63.147 71.351 773 2HG LYS 99 1HG LYS 99 56.543 63.980 72.641 774 1HD LYS 99 2HD LYS 99 58.216 62.032 71.360 775 2HD LYS 99 1HD LYS 99 57.327 62.872 69.988 776 1HE LYS 99 2HE LYS 99 59.309 64.094 70.340 777 2HE LYS 99 1HE LYS 99 57.900 65.039 71.024 778 1HZ LYS 99 1HZ LYS 99 59.322 63.173 72.838 779 2HZ LYS 99 2HZ LYS 99 58.592 64.667 73.149 780 3HZ LYS 99 3HZ LYS 99 60.100 64.627 72.444 781 H GLY 100 H GLY 100 55.641 60.123 74.444 782 1HA GLY 100 1HA GLY 100 53.678 59.800 75.915 783 2HA GLY 100 2HA GLY 100 52.769 59.053 74.540 784 H GLU 101 H GLU 101 53.967 57.390 73.503 785 HA GLU 101 HA GLU 101 55.490 55.522 75.338 786 1HB GLU 101 2HB GLU 101 52.817 55.185 75.179 787 2HB GLU 101 1HB GLU 101 53.105 54.669 73.489 788 1HG GLU 101 2HG GLU 101 54.542 52.794 74.255 789 2HG GLU 101 1HG GLU 101 54.567 53.426 75.968 790 H LYS 102 H LYS 102 55.927 57.349 73.023 791 HA LYS 102 HA LYS 102 57.532 55.418 71.357 792 1HB LYS 102 2HB LYS 102 56.260 56.263 69.268 793 2HB LYS 102 1HB LYS 102 55.422 55.028 70.306 794 1HG LYS 102 2HG LYS 102 54.128 56.729 71.526 795 2HG LYS 102 1HG LYS 102 55.012 58.039 70.604 796 1HD LYS 102 2HD LYS 102 52.692 57.516 69.803 797 2HD LYS 102 1HD LYS 102 54.036 57.380 68.546 798 1HE LYS 102 2HE LYS 102 53.653 55.021 68.348 799 2HE LYS 102 1HE LYS 102 53.384 54.959 70.151 800 1HZ LYS 102 1HZ LYS 102 51.297 54.510 68.931 801 2HZ LYS 102 2HZ LYS 102 51.657 55.745 67.872 802 3HZ LYS 102 3HZ LYS 102 51.144 56.115 69.394 803 H GLU 103 H GLU 103 57.940 57.725 73.016 804 HA GLU 103 HA GLU 103 58.325 60.253 72.280 805 1HB GLU 103 2HB GLU 103 60.789 58.526 72.791 806 2HB GLU 103 1HB GLU 103 60.535 60.297 73.158 807 1HG GLU 103 2HG GLU 103 58.636 59.638 74.673 808 2HG GLU 103 1HG GLU 103 59.249 57.878 74.514 809 H ASN 104 H ASN 104 59.997 57.567 70.667 810 HA ASN 104 HA ASN 104 61.225 59.582 68.803 811 1HB ASN 104 2HB ASN 104 62.486 57.953 70.391 812 2HB ASN 104 1HB ASN 104 62.036 56.571 69.260 813 1HD2 ASN 104 2HD2 ASN 104 64.241 56.492 69.170 814 2HD2 ASN 104 1HD2 ASN 104 65.113 57.520 67.810 815 H ARG 105 H ARG 105 58.685 59.268 67.976 816 HA ARG 105 HA ARG 105 58.962 57.200 65.860 817 1HB ARG 105 2HB ARG 105 57.238 56.319 67.533 818 2HB ARG 105 1HB ARG 105 56.252 57.772 67.231 819 1HG ARG 105 2HG ARG 105 56.723 57.153 64.627 820 2HG ARG 105 1HG ARG 105 56.939 55.487 65.310 821 1HD ARG 105 2HD ARG 105 54.711 56.122 66.700 822 2HD ARG 105 1HD ARG 105 54.412 57.242 65.315 823 HE ARG 105 HE ARG 105 55.299 54.661 64.391 824 1HH1 ARG 105 2HH1 ARG 105 52.571 56.541 65.735 825 2HH1 ARG 105 1HH1 ARG 105 51.340 55.569 64.970 826 1HH2 ARG 105 2HH2 ARG 105 53.487 53.345 63.332 827 2HH2 ARG 105 1HH2 ARG 105 51.805 53.740 63.598 828 H GLY 106 H GLY 106 59.889 58.591 64.841 829 1HA GLY 106 1HA GLY 106 58.163 60.724 63.450 830 2HA GLY 106 2HA GLY 106 59.866 60.950 63.916 831 H TRP 107 H TRP 107 58.517 61.104 61.519 832 HA TRP 107 HA TRP 107 60.055 59.247 59.779 833 1HB TRP 107 2HB TRP 107 58.024 60.491 58.216 834 2HB TRP 107 1HB TRP 107 58.225 58.732 58.671 835 HD1 TRP 107 HD1 TRP 107 56.893 58.257 61.276 836 HE1 TRP 107 HE1 TRP 107 54.953 59.354 62.350 837 HE3 TRP 107 HE3 TRP 107 56.969 62.327 58.428 838 HZ2 TRP 107 HZ2 TRP 107 53.613 61.758 61.970 839 HZ3 TRP 107 HZ3 TRP 107 55.294 64.105 58.805 840 HH2 TRP 107 HH2 TRP 107 53.636 63.763 60.593 841 H LYS 108 H LYS 108 61.346 59.872 58.412 842 HA LYS 108 HA LYS 108 61.761 62.828 57.919 843 1HB LYS 108 2HB LYS 108 63.700 60.401 57.900 844 2HB LYS 108 1HB LYS 108 64.179 62.149 57.629 845 1HG LYS 108 2HG LYS 108 63.071 62.754 59.831 846 2HG LYS 108 1HG LYS 108 63.017 60.923 60.185 847 1HD LYS 108 2HD LYS 108 65.276 60.769 60.585 848 2HD LYS 108 1HD LYS 108 65.663 62.133 59.433 849 1HE LYS 108 2HE LYS 108 65.520 63.635 61.069 850 2HE LYS 108 1HE LYS 108 63.993 62.868 61.802 851 1HZ LYS 108 1HZ LYS 108 65.219 61.785 63.274 852 2HZ LYS 108 2HZ LYS 108 66.382 62.881 63.009 853 3HZ LYS 108 3HZ LYS 108 66.455 61.379 62.192 854 H GLN 109 H GLN 109 60.137 62.510 56.468 855 HA GLN 109 HA GLN 109 60.965 61.266 53.847 856 1HB GLN 109 2HB GLN 109 58.606 61.229 54.861 857 2HB GLN 109 1HB GLN 109 58.470 63.012 54.438 858 1HG GLN 109 2HG GLN 109 58.495 62.416 52.091 859 2HG GLN 109 1HG GLN 109 59.229 60.733 52.447 860 1HE2 GLN 109 2HE2 GLN 109 57.808 59.520 51.825 861 2HE2 GLN 109 1HE2 GLN 109 56.030 59.447 52.373 862 H TRP 110 H TRP 110 62.532 62.644 52.746 863 HA TRP 110 HA TRP 110 61.881 65.599 52.998 864 1HB TRP 110 2HB TRP 110 64.104 65.987 53.202 865 2HB TRP 110 1HB TRP 110 63.861 64.424 54.100 866 HD1 TRP 110 HD1 TRP 110 65.009 65.683 50.636 867 HE1 TRP 110 HE1 TRP 110 66.606 63.781 49.621 868 HE3 TRP 110 HE3 TRP 110 64.444 62.374 54.281 869 HZ2 TRP 110 HZ2 TRP 110 67.355 61.264 50.484 870 HZ3 TRP 110 HZ3 TRP 110 65.608 60.174 54.203 871 HH2 TRP 110 HH2 TRP 110 67.014 59.669 52.347 872 H VAL 111 H VAL 111 61.528 63.176 50.745 873 HA VAL 111 HA VAL 111 61.128 63.287 48.418 874 HB VAL 111 HB VAL 111 61.499 66.277 48.608 875 1HG1 VAL 111 1HG1 VAL 111 59.099 64.826 47.333 876 2HG1 VAL 111 2HG1 VAL 111 60.740 64.914 46.531 877 3HG1 VAL 111 3HG1 VAL 111 59.863 66.417 46.975 878 1HG2 VAL 111 1HG2 VAL 111 58.948 66.304 49.433 879 2HG2 VAL 111 2HG2 VAL 111 60.214 66.003 50.662 880 3HG2 VAL 111 3HG2 VAL 111 59.309 64.582 49.953 881 H GLU 112 H GLU 112 62.023 63.108 46.618 882 HA GLU 112 HA GLU 112 64.572 64.501 46.027 883 1HB GLU 112 2HB GLU 112 64.138 61.561 46.545 884 2HB GLU 112 1HB GLU 112 65.195 61.985 45.139 885 1HG GLU 112 2HG GLU 112 66.877 62.768 46.597 886 2HG GLU 112 1HG GLU 112 65.572 63.403 47.788 887 H GLY 113 H GLY 113 61.625 64.165 45.022 888 1HA GLY 113 1HA GLY 113 60.668 64.614 42.859 889 2HA GLY 113 2HA GLY 113 62.233 64.295 42.065 890 H ASP 114 H ASP 114 59.182 63.125 42.871 891 HA ASP 114 HA ASP 114 58.203 60.987 42.638 892 1HB ASP 114 2HB ASP 114 59.963 60.683 40.118 893 2HB ASP 114 1HB ASP 114 58.096 60.706 40.218 894 H LYS 115 H LYS 115 59.940 60.604 44.415 895 HA LYS 115 HA LYS 115 60.203 58.019 44.970 896 1HB LYS 115 2HB LYS 115 62.491 58.715 42.975 897 2HB LYS 115 1HB LYS 115 62.780 57.614 44.367 898 1HG LYS 115 2HG LYS 115 60.251 56.819 43.259 899 2HG LYS 115 1HG LYS 115 61.421 57.047 41.893 900 1HD LYS 115 2HD LYS 115 62.079 54.859 42.574 901 2HD LYS 115 1HD LYS 115 63.069 55.769 43.756 902 1HE LYS 115 2HE LYS 115 61.023 55.732 45.383 903 2HE LYS 115 1HE LYS 115 60.233 54.692 44.179 904 1HZ LYS 115 1HZ LYS 115 61.580 53.561 46.140 905 2HZ LYS 115 2HZ LYS 115 62.915 53.868 45.172 906 3HZ LYS 115 3HZ LYS 115 61.660 52.901 44.639 907 H LEU 116 H LEU 116 60.017 58.749 46.937 908 HA LEU 116 HA LEU 116 62.422 60.455 47.807 909 1HB LEU 116 2HB LEU 116 60.574 59.933 49.997 910 2HB LEU 116 1HB LEU 116 61.156 61.526 49.352 911 HG LEU 116 HG LEU 116 58.804 61.511 49.331 912 1HD1 LEU 116 1HD1 LEU 116 60.377 61.857 46.978 913 2HD1 LEU 116 2HD1 LEU 116 58.801 62.576 47.367 914 3HD1 LEU 116 3HD1 LEU 116 58.913 61.000 46.369 915 1HD2 LEU 116 1HD2 LEU 116 59.009 58.740 48.699 916 2HD2 LEU 116 2HD2 LEU 116 58.005 59.475 47.382 917 3HD2 LEU 116 3HD2 LEU 116 57.518 59.673 49.134 918 H TYR 117 H TYR 117 62.579 60.062 50.432 919 HA TYR 117 HA TYR 117 62.857 57.177 50.676 920 1HB TYR 117 2HB TYR 117 65.162 58.939 49.962 921 2HB TYR 117 1HB TYR 117 65.389 58.267 51.642 922 HD1 TYR 117 HD1 TYR 117 67.131 57.602 49.087 923 HD2 TYR 117 HD2 TYR 117 63.804 55.513 50.787 924 HE1 TYR 117 HE1 TYR 117 67.935 55.531 48.093 925 HE2 TYR 117 HE2 TYR 117 64.606 53.465 49.809 926 HH TYR 117 HH TYR 117 67.346 53.389 47.540 927 H LEU 118 H LEU 118 61.267 57.668 51.853 928 HA LEU 118 HA LEU 118 61.591 59.324 54.302 929 1HB LEU 118 2HB LEU 118 59.414 59.062 53.544 930 2HB LEU 118 1HB LEU 118 59.470 57.256 53.383 931 HG LEU 118 HG LEU 118 59.755 57.172 55.994 932 1HD1 LEU 118 1HD1 LEU 118 59.968 60.007 55.555 933 2HD1 LEU 118 2HD1 LEU 118 59.977 59.094 57.147 934 3HD1 LEU 118 3HD1 LEU 118 58.430 59.713 56.411 935 1HD2 LEU 118 1HD2 LEU 118 57.299 57.535 56.357 936 2HD2 LEU 118 2HD2 LEU 118 57.649 56.770 54.711 937 3HD2 LEU 118 3HD2 LEU 118 57.261 58.571 54.887 938 H GLU 119 H GLU 119 62.546 59.049 56.050 939 HA GLU 119 HA GLU 119 63.649 56.324 56.776 940 1HB GLU 119 2HB GLU 119 64.738 58.822 58.113 941 2HB GLU 119 1HB GLU 119 65.395 57.196 57.723 942 1HG GLU 119 2HG GLU 119 64.822 58.185 55.171 943 2HG GLU 119 1HG GLU 119 65.522 59.628 56.114 944 H LEU 120 H LEU 120 62.713 55.315 58.328 945 HA LEU 120 HA LEU 120 61.021 56.938 60.200 946 1HB LEU 120 2HB LEU 120 60.830 54.160 59.208 947 2HB LEU 120 1HB LEU 120 60.360 54.441 60.948 948 HG LEU 120 HG LEU 120 58.703 54.565 58.895 949 1HD1 LEU 120 1HD1 LEU 120 58.864 56.479 61.309 950 2HD1 LEU 120 2HD1 LEU 120 57.611 55.197 60.958 951 3HD1 LEU 120 3HD1 LEU 120 57.520 56.799 60.127 952 1HD2 LEU 120 1HD2 LEU 120 59.791 57.447 58.779 953 2HD2 LEU 120 2HD2 LEU 120 58.304 56.814 57.952 954 3HD2 LEU 120 3HD2 LEU 120 59.900 56.094 57.548 955 H THR 121 H THR 121 61.063 56.316 62.324 956 HA THR 121 HA THR 121 63.563 54.947 63.335 957 HB THR 121 HB THR 121 63.790 56.927 65.011 958 HG1 THR 121 1HG THR 121 61.939 58.000 64.510 959 1HG2 THR 121 1HG2 THR 121 65.370 58.074 63.512 960 2HG2 THR 121 2HG2 THR 121 64.303 57.783 62.081 961 3HG2 THR 121 3HG2 THR 121 65.264 56.403 62.788 962 H CYS 122 H CYS 122 60.424 54.666 63.383 963 HA CYS 122 HA CYS 122 59.359 55.097 65.947 964 1HB CYS 122 2HB CYS 122 57.830 53.269 65.391 965 2HB CYS 122 1HB CYS 122 58.112 54.280 63.937 966 HG CYS 122 HG CYS 122 58.528 52.466 62.509 967 H GLY 123 H GLY 123 59.300 54.263 67.808 968 1HA GLY 123 1HA GLY 123 59.857 52.958 69.680 969 2HA GLY 123 2HA GLY 123 60.028 51.608 68.532 970 H ASP 124 H ASP 124 61.681 51.183 70.283 971 HA ASP 124 HA ASP 124 64.154 52.539 70.576 972 1HB ASP 124 2HB ASP 124 63.371 49.543 70.666 973 2HB ASP 124 1HB ASP 124 65.034 50.233 71.120 974 H GLN 125 H GLN 125 62.896 50.399 68.154 975 HA GLN 125 HA GLN 125 65.607 50.175 66.814 976 1HB GLN 125 2HB GLN 125 63.116 48.638 66.848 977 2HB GLN 125 1HB GLN 125 63.391 49.130 65.168 978 1HG GLN 125 2HG GLN 125 65.981 48.495 65.877 979 2HG GLN 125 1HG GLN 125 64.934 47.304 66.851 980 1HE2 GLN 125 1HE2 GLN 125 62.761 47.000 65.530 981 2HE2 GLN 125 2HE2 GLN 125 63.070 46.284 63.832 982 H VAL 126 H VAL 126 65.089 50.223 64.400 983 HA VAL 126 HA VAL 126 63.826 52.767 63.424 984 HB VAL 126 HB VAL 126 66.815 51.878 63.016 985 1HG1 VAL 126 1HG1 VAL 126 65.347 54.485 62.366 986 2HG1 VAL 126 2HG1 VAL 126 65.493 53.183 61.068 987 3HG1 VAL 126 3HG1 VAL 126 66.962 54.065 61.772 988 1HG2 VAL 126 1HG2 VAL 126 65.451 53.728 64.959 989 2HG2 VAL 126 2HG2 VAL 126 66.874 54.387 64.143 990 3HG2 VAL 126 3HG2 VAL 126 67.036 52.819 65.039 991 H CYS 127 H CYS 127 62.752 52.396 61.603 992 HA CYS 127 HA CYS 127 63.724 50.192 59.733 993 1HB CYS 127 2HB CYS 127 61.327 49.913 59.103 994 2HB CYS 127 1HB CYS 127 61.447 49.692 60.881 995 HG CYS 127 HG CYS 127 59.227 51.052 59.786 996 H ARG 128 H ARG 128 63.554 50.588 57.560 997 HA ARG 128 HA ARG 128 63.441 53.607 57.081 998 1HB ARG 128 2HB ARG 128 65.551 53.054 56.394 999 2HB ARG 128 1HB ARG 128 65.119 51.307 56.006 1000 1HG ARG 128 2HG ARG 128 64.402 51.684 53.922 1001 2HG ARG 128 1HG ARG 128 63.846 53.371 54.155 1002 1HD ARG 128 2HD ARG 128 65.783 53.850 53.051 1003 2HD ARG 128 1HD ARG 128 66.561 53.628 54.727 1004 HE ARG 128 HE ARG 128 66.383 51.154 53.185 1005 1HH1 ARG 128 2HH1 ARG 128 68.299 54.131 53.674 1006 2HH1 ARG 128 1HH1 ARG 128 69.817 53.437 53.120 1007 1HH2 ARG 128 2HH2 ARG 128 68.358 50.273 52.488 1008 2HH2 ARG 128 1HH2 ARG 128 69.847 51.198 52.434 1009 H GLN 129 H GLN 129 62.289 54.527 55.529 1010 HA GLN 129 HA GLN 129 60.162 52.617 54.582 1011 1HB GLN 129 2HB GLN 129 60.200 55.282 55.676 1012 2HB GLN 129 1HB GLN 129 59.675 55.441 53.938 1013 1HG GLN 129 2HG GLN 129 57.697 55.008 55.507 1014 2HG GLN 129 1HG GLN 129 57.978 53.687 54.237 1015 1HE2 GLN 129 1HE2 GLN 129 56.832 52.343 55.779 1016 2HE2 GLN 129 2HE2 GLN 129 57.654 51.667 57.189 1017 H VAL 130 H VAL 130 59.344 52.582 52.273 1018 HA VAL 130 HA VAL 130 61.159 54.162 50.457 1019 HB VAL 130 HB VAL 130 60.301 51.277 49.777 1020 1HG1 VAL 130 1HG1 VAL 130 60.764 52.897 47.907 1021 2HG1 VAL 130 2HG1 VAL 130 61.955 51.558 47.970 1022 3HG1 VAL 130 3HG1 VAL 130 62.375 53.211 48.665 1023 1HG2 VAL 130 1HG2 VAL 130 62.071 51.473 51.762 1024 2HG2 VAL 130 2HG2 VAL 130 63.207 51.960 50.423 1025 3HG2 VAL 130 3HG2 VAL 130 62.395 50.379 50.309 1026 H PHE 131 H PHE 131 59.632 55.454 50.395 1027 HA PHE 131 HA PHE 131 56.900 54.838 49.322 1028 1HB PHE 131 2HB PHE 131 58.600 57.203 50.325 1029 2HB PHE 131 1HB PHE 131 57.355 57.570 49.041 1030 HD1 PHE 131 HD1 PHE 131 57.721 56.217 52.487 1031 HD2 PHE 131 HD2 PHE 131 55.162 57.692 49.453 1032 HE1 PHE 131 HE1 PHE 131 55.868 56.359 54.220 1033 HE2 PHE 131 HE2 PHE 131 53.334 57.830 51.143 1034 HZ PHE 131 HZ PHE 131 53.696 57.179 53.482 1035 H LYS 132 H LYS 132 56.241 56.624 47.561 1036 HA LYS 132 HA LYS 132 58.262 57.130 45.480 1037 1HB LYS 132 2HB LYS 132 57.306 54.762 44.760 1038 2HB LYS 132 1HB LYS 132 55.698 55.381 45.315 1039 1HG LYS 132 2HG LYS 132 55.750 57.078 43.375 1040 2HG LYS 132 1HG LYS 132 57.284 56.248 42.785 1041 1HD LYS 132 2HD LYS 132 55.197 55.454 41.691 1042 2HD LYS 132 1HD LYS 132 56.161 54.177 42.568 1043 1HE LYS 132 2HE LYS 132 54.466 53.956 44.256 1044 2HE LYS 132 1HE LYS 132 53.955 55.666 44.050 1045 1HZ LYS 132 1HZ LYS 132 53.586 53.689 41.896 1046 2HZ LYS 132 2HZ LYS 132 52.599 54.998 42.269 1047 3HZ LYS 132 3HZ LYS 132 52.542 53.562 43.149 1048 H LYS 133 H LYS 133 57.604 59.050 44.764 1049 HA LYS 133 HA LYS 133 54.686 59.843 45.455 1050 1HB LYS 133 2HB LYS 133 55.320 61.865 46.143 1051 2HB LYS 133 1HB LYS 133 56.882 60.961 46.463 1052 1HG LYS 133 2HG LYS 133 57.867 61.798 44.398 1053 2HG LYS 133 1HG LYS 133 56.318 62.612 43.892 1054 1HD LYS 133 2HD LYS 133 57.336 63.449 46.535 1055 2HD LYS 133 1HD LYS 133 58.380 63.862 45.101 1056 1HE LYS 133 2HE LYS 133 56.399 64.782 43.942 1057 2HE LYS 133 1HE LYS 133 55.389 64.440 45.471 1058 1HZ LYS 133 1HZ LYS 133 55.978 66.522 45.989 1059 2HZ LYS 133 2HZ LYS 133 57.333 66.565 45.037 1060 3HZ LYS 133 3HZ LYS 133 57.362 65.812 46.534 1061 H LYS 134 H LYS 134 53.618 61.287 44.375 1062 HA LYS 134 HA LYS 134 54.463 62.254 41.777 1063 1HB LYS 134 2HB LYS 134 52.717 59.712 41.967 1064 2HB LYS 134 1HB LYS 134 52.239 60.908 40.745 1065 1HG LYS 134 2HG LYS 134 53.870 59.847 39.417 1066 2HG LYS 134 1HG LYS 134 55.123 60.650 40.489 1067 1HD LYS 134 2HD LYS 134 54.389 58.667 42.098 1068 2HD LYS 134 1HD LYS 134 53.937 57.878 40.473 1069 1HE LYS 134 2HE LYS 134 56.571 59.291 40.619 1070 2HE LYS 134 1HE LYS 134 56.508 57.724 41.565 1071 1HZ LYS 134 1HZ LYS 134 56.952 57.950 38.919 1072 2HZ LYS 134 2HZ LYS 134 55.329 57.482 38.934 1073 3HZ LYS 134 3HZ LYS 134 56.452 56.543 39.663 1074 1H2 RTL 135 1H2 RET 135 48.130 50.583 57.723 1075 2H2 RTL 135 2H2 RET 135 46.894 50.829 58.841 1076 1H3 RTL 135 1H3 RET 135 47.798 48.777 59.651 1077 2H3 RTL 135 2H3 RET 135 49.303 49.089 58.974 1078 1H4 RTL 135 1H4 RET 135 49.386 49.206 61.481 1079 2H4 RTL 135 2H4 RET 135 48.190 50.447 61.461 1080 H7 RTL 135 H7 RET 135 51.690 52.654 59.026 1081 H8 RTL 135 H8 RET 135 49.761 54.770 60.254 1082 H10 RTL 135 H10 RET 135 50.242 56.392 58.122 1083 H11 RTL 135 H11 RET 135 53.013 57.003 57.558 1084 H12 RTL 135 H12 RET 135 51.231 59.233 58.773 1085 H14 RTL 135 H14 RET 135 51.598 60.670 56.539 1086 1H15 RTL 135 1H15 RET 135 52.937 62.110 55.352 1087 2H15 RTL 135 2H15 RET 135 54.418 61.305 55.935 1088 HO1 RTL 135 H51 RET 135 53.212 62.512 57.985 1089 1H16 RTL 135 1H16 RET 135 48.641 54.103 58.369 1090 2H16 RTL 135 2H16 RET 135 47.661 52.934 57.445 1091 3H16 RTL 135 3H16 RET 135 49.428 52.863 57.359 1092 1H17 RTL 135 1H17 RET 135 48.020 53.591 60.678 1093 2H17 RTL 135 2H17 RET 135 46.786 52.339 60.363 1094 3H17 RTL 135 3H17 RET 135 47.004 53.629 59.206 1095 1H18 RTL 135 1H18 RET 135 52.164 51.273 60.922 1096 2H18 RTL 135 2H18 RET 135 51.642 49.723 61.517 1097 3H18 RTL 135 3H18 RET 135 51.310 51.258 62.455 1098 1H19 RTL 135 1H19 RET 135 52.890 55.406 61.104 1099 2H19 RTL 135 2H19 RET 135 53.647 56.045 59.681 1100 3H19 RTL 135 3H19 RET 135 53.369 54.298 59.794 1101 1H20 RTL 135 1H20 RET 135 54.895 58.731 57.796 1102 2H20 RTL 135 2H20 RET 135 54.401 59.346 59.365 1103 3H20 RTL 135 3H20 RET 135 55.004 60.449 58.037 Start of MODEL 23 1 1H MET 1 1H MET 1 56.260 73.995 45.341 2 2H MET 1 2H MET 1 56.779 75.185 46.403 3 3H MET 1 3H MET 1 57.673 73.762 46.149 4 HA MET 1 HA MET 1 57.663 74.573 43.673 5 1HB MET 1 2HB MET 1 56.884 76.979 45.100 6 2HB MET 1 1HB MET 1 58.689 77.068 44.976 7 1HG MET 1 2HG MET 1 58.246 77.853 42.800 8 2HG MET 1 1HG MET 1 58.205 76.146 42.477 9 1HE MET 1 1HE MET 1 56.870 79.338 42.161 10 2HE MET 1 2HE MET 1 55.777 79.498 43.572 11 3HE MET 1 3HE MET 1 55.034 79.413 42.048 12 H THR 2 H THR 2 59.107 75.483 46.743 13 HA THR 2 HA THR 2 61.815 74.805 45.590 14 HB THR 2 HB THR 2 62.338 75.108 48.267 15 HG1 THR 2 1HG THR 2 60.601 75.807 49.099 16 1HG2 THR 2 1HG2 THR 2 63.477 76.780 46.825 17 2HG2 THR 2 2HG2 THR 2 62.137 77.831 47.268 18 3HG2 THR 2 3HG2 THR 2 62.089 76.867 45.725 19 H LYS 3 H LYS 3 59.947 74.048 48.500 20 HA LYS 3 HA LYS 3 61.448 71.411 48.532 21 1HB LYS 3 2HB LYS 3 59.596 71.517 50.713 22 2HB LYS 3 1HB LYS 3 61.404 71.492 50.831 23 1HG LYS 3 2HG LYS 3 60.824 73.512 51.891 24 2HG LYS 3 1HG LYS 3 61.094 74.109 50.213 25 1HD LYS 3 2HD LYS 3 58.620 74.245 49.863 26 2HD LYS 3 1HD LYS 3 58.394 73.098 51.256 27 1HE LYS 3 2HE LYS 3 57.719 75.237 52.010 28 2HE LYS 3 1HE LYS 3 59.424 75.032 52.673 29 1HZ LYS 3 1HZ LYS 3 58.970 76.250 49.968 30 2HZ LYS 3 2HZ LYS 3 60.241 76.504 50.992 31 3HZ LYS 3 3HZ LYS 3 58.749 77.221 51.268 32 H ASP 4 H ASP 4 58.199 72.706 48.247 33 HA ASP 4 HA ASP 4 56.211 71.807 47.710 34 1HB ASP 4 2HB ASP 4 57.713 71.202 45.635 35 2HB ASP 4 1HB ASP 4 57.729 69.490 46.350 36 H GLN 5 H GLN 5 56.230 71.253 50.161 37 HA GLN 5 HA GLN 5 56.827 68.534 50.967 38 1HB GLN 5 2HB GLN 5 56.606 70.123 52.791 39 2HB GLN 5 1HB GLN 5 55.130 70.913 51.999 40 1HG GLN 5 2HG GLN 5 53.654 69.472 52.770 41 2HG GLN 5 1HG GLN 5 54.844 68.045 52.745 42 1HE2 GLN 5 2HE2 GLN 5 54.788 71.246 54.211 43 2HE2 GLN 5 1HE2 GLN 5 55.157 70.743 55.880 44 H ASN 6 H ASN 6 54.299 70.236 49.473 45 HA ASN 6 HA ASN 6 52.097 68.359 49.614 46 1HB ASN 6 2HB ASN 6 52.550 69.955 47.030 47 2HB ASN 6 1HB ASN 6 51.016 69.693 48.007 48 1HD2 ASN 6 1HD2 ASN 6 50.320 71.554 48.139 49 2HD2 ASN 6 2HD2 ASN 6 51.183 72.920 49.073 50 H GLY 7 H GLY 7 51.585 66.512 48.533 51 1HA GLY 7 1HA GLY 7 52.904 66.043 45.886 52 2HA GLY 7 2HA GLY 7 53.472 65.051 47.268 53 H THR 8 H THR 8 52.991 63.366 46.310 54 HA THR 8 HA THR 8 50.546 62.121 46.997 55 HB THR 8 HB THR 8 51.037 62.874 44.072 56 HG1 THR 8 1HG THR 8 49.154 63.064 45.881 57 1HG2 THR 8 1HG2 THR 8 49.975 60.162 45.312 58 2HG2 THR 8 2HG2 THR 8 51.325 60.278 44.116 59 3HG2 THR 8 3HG2 THR 8 49.652 60.586 43.568 60 H TRP 9 H TRP 9 50.952 59.978 47.156 61 HA TRP 9 HA TRP 9 53.194 58.780 45.835 62 1HB TRP 9 2HB TRP 9 54.531 58.599 48.310 63 2HB TRP 9 1HB TRP 9 55.023 59.591 46.899 64 HD1 TRP 9 HD1 TRP 9 52.043 59.924 49.341 65 HE1 TRP 9 HE1 TRP 9 51.885 62.227 50.424 66 HE3 TRP 9 HE3 TRP 9 56.141 61.632 47.277 67 HZ2 TRP 9 HZ2 TRP 9 53.496 64.463 50.210 68 HZ3 TRP 9 HZ3 TRP 9 56.903 63.991 47.722 69 HH2 TRP 9 HH2 TRP 9 55.554 65.403 49.209 70 H GLU 10 H GLU 10 52.880 56.757 45.608 71 HA GLU 10 HA GLU 10 51.321 55.181 47.554 72 1HB GLU 10 2HB GLU 10 52.596 54.607 44.781 73 2HB GLU 10 1HB GLU 10 51.636 53.381 45.767 74 1HG GLU 10 2HG GLU 10 50.372 56.089 45.429 75 2HG GLU 10 1HG GLU 10 50.720 55.134 43.880 76 H MET 11 H MET 11 52.414 54.804 49.128 77 HA MET 11 HA MET 11 55.220 54.288 49.653 78 1HB MET 11 2HB MET 11 52.426 53.444 50.824 79 2HB MET 11 1HB MET 11 53.969 52.813 51.546 80 1HG MET 11 2HG MET 11 54.599 54.766 52.500 81 2HG MET 11 1HG MET 11 54.029 55.710 51.095 82 1HE MET 11 1HE MET 11 52.071 54.506 55.177 83 2HE MET 11 2HE MET 11 53.700 55.322 54.849 84 3HE MET 11 3HE MET 11 53.436 53.702 54.329 85 H GLU 12 H GLU 12 56.468 52.786 49.576 86 HA GLU 12 HA GLU 12 55.656 49.967 49.145 87 1HB GLU 12 2HB GLU 12 56.234 50.990 46.780 88 2HB GLU 12 1HB GLU 12 57.937 51.181 47.477 89 1HG GLU 12 2HG GLU 12 57.455 48.622 48.202 90 2HG GLU 12 1HG GLU 12 56.303 48.807 46.725 91 H SER 13 H SER 13 56.375 51.762 51.231 92 HA SER 13 HA SER 13 59.157 51.025 51.961 93 1HB SER 13 2HB SER 13 58.091 52.507 54.092 94 2HB SER 13 1HB SER 13 58.471 53.403 52.504 95 HG SER 13 HG SER 13 56.385 53.465 53.594 96 H ASN 14 H ASN 14 59.340 51.019 54.252 97 HA ASN 14 HA ASN 14 59.078 50.143 56.321 98 1HB ASN 14 2HB ASN 14 57.149 48.031 55.037 99 2HB ASN 14 1HB ASN 14 57.447 48.311 56.864 100 1HD2 ASN 14 1HD2 ASN 14 57.518 51.248 56.429 101 2HD2 ASN 14 2HD2 ASN 14 55.758 51.683 56.027 102 H GLU 15 H GLU 15 61.078 49.946 55.672 103 HA GLU 15 HA GLU 15 61.878 47.446 54.574 104 1HB GLU 15 2HB GLU 15 63.215 49.735 56.146 105 2HB GLU 15 1HB GLU 15 64.185 48.241 56.058 106 1HG GLU 15 2HG GLU 15 62.949 49.657 53.620 107 2HG GLU 15 1HG GLU 15 64.769 49.586 54.137 108 H ASN 16 H ASN 16 61.824 48.690 58.000 109 HA ASN 16 HA ASN 16 61.967 45.897 58.979 110 1HB ASN 16 2HB ASN 16 62.800 48.553 60.013 111 2HB ASN 16 1HB ASN 16 61.978 47.408 61.284 112 1HD2 ASN 16 2HD2 ASN 16 64.631 48.391 61.155 113 2HD2 ASN 16 1HD2 ASN 16 65.674 46.806 61.105 114 H PHE 17 H PHE 17 59.983 45.738 58.006 115 HA PHE 17 HA PHE 17 57.453 46.839 58.616 116 1HB PHE 17 2HB PHE 17 57.745 43.804 58.862 117 2HB PHE 17 1HB PHE 17 56.451 44.768 58.008 118 HD1 PHE 17 HD1 PHE 17 56.781 45.411 55.765 119 HD2 PHE 17 HD2 PHE 17 59.938 43.471 57.761 120 HE1 PHE 17 HE1 PHE 17 57.942 45.105 53.624 121 HE2 PHE 17 HE2 PHE 17 61.178 43.100 55.623 122 HZ PHE 17 HZ PHE 17 60.210 43.913 53.494 123 H GLU 18 H GLU 18 59.468 44.765 60.418 124 HA GLU 18 HA GLU 18 57.522 44.275 62.615 125 1HB GLU 18 2HB GLU 18 60.702 44.198 62.503 126 2HB GLU 18 1HB GLU 18 59.644 43.509 63.830 127 1HG GLU 18 2HG GLU 18 58.692 41.881 62.332 128 2HG GLU 18 1HG GLU 18 59.613 42.655 60.888 129 H GLY 19 H GLY 19 59.888 46.749 62.067 130 1HA GLY 19 1HA GLY 19 60.017 47.722 64.829 131 2HA GLY 19 2HA GLY 19 60.378 48.690 63.360 132 H TYR 20 H TYR 20 57.603 47.944 62.267 133 HA TYR 20 HA TYR 20 56.295 50.331 63.398 134 1HB TYR 20 2HB TYR 20 55.714 48.052 61.369 135 2HB TYR 20 1HB TYR 20 54.301 48.903 62.098 136 HD1 TYR 20 HD1 TYR 20 57.467 50.608 61.295 137 HD2 TYR 20 HD2 TYR 20 53.526 49.656 60.174 138 HE1 TYR 20 HE1 TYR 20 57.589 52.374 59.521 139 HE2 TYR 20 HE2 TYR 20 53.492 51.372 58.366 140 HH TYR 20 HH TYR 20 54.814 53.575 57.947 141 H MET 21 H MET 21 55.706 46.839 63.410 142 HA MET 21 HA MET 21 53.500 46.919 65.285 143 1HB MET 21 2HB MET 21 54.503 45.083 63.470 144 2HB MET 21 1HB MET 21 55.517 44.691 64.849 145 1HG MET 21 2HG MET 21 52.706 44.892 65.787 146 2HG MET 21 1HG MET 21 52.707 43.921 64.314 147 1HE MET 21 1HE MET 21 52.062 43.662 67.524 148 2HE MET 21 2HE MET 21 52.800 42.134 68.175 149 3HE MET 21 3HE MET 21 51.731 42.042 66.834 150 H LYS 22 H LYS 22 56.887 46.900 65.560 151 HA LYS 22 HA LYS 22 56.838 46.051 68.348 152 1HB LYS 22 2HB LYS 22 58.863 45.427 67.034 153 2HB LYS 22 1HB LYS 22 58.960 47.140 66.359 154 1HG LYS 22 2HG LYS 22 60.741 46.838 67.876 155 2HG LYS 22 1HG LYS 22 59.547 47.998 68.620 156 1HD LYS 22 2HD LYS 22 60.067 46.463 70.448 157 2HD LYS 22 1HD LYS 22 58.461 46.001 69.768 158 1HE LYS 22 2HE LYS 22 59.280 44.020 68.833 159 2HE LYS 22 1HE LYS 22 60.953 44.710 68.551 160 1HZ LYS 22 1HZ LYS 22 59.854 44.027 71.231 161 2HZ LYS 22 2HZ LYS 22 61.464 44.370 70.779 162 3HZ LYS 22 3HZ LYS 22 60.770 42.969 70.299 163 H ALA 23 H ALA 23 57.098 48.939 66.620 164 HA ALA 23 HA ALA 23 57.767 50.620 68.927 165 1HB ALA 23 1HB ALA 23 58.149 51.393 66.603 166 2HB ALA 23 2HB ALA 23 57.104 52.562 67.536 167 3HB ALA 23 3HB ALA 23 56.374 51.460 66.286 168 H LEU 24 H LEU 24 54.983 49.392 67.392 169 HA LEU 24 HA LEU 24 53.055 50.699 69.241 170 1HB LEU 24 2HB LEU 24 53.144 50.311 66.429 171 2HB LEU 24 1HB LEU 24 52.494 48.705 66.987 172 HG LEU 24 HG LEU 24 50.333 49.699 67.496 173 1HD1 LEU 24 1HD1 LEU 24 51.130 51.156 69.330 174 2HD1 LEU 24 2HD1 LEU 24 50.010 52.050 68.267 175 3HD1 LEU 24 3HD1 LEU 24 51.816 52.314 68.140 176 1HD2 LEU 24 1HD2 LEU 24 49.690 51.320 65.900 177 2HD2 LEU 24 2HD2 LEU 24 50.886 50.246 65.066 178 3HD2 LEU 24 3HD2 LEU 24 51.419 51.854 65.695 179 H ASP 25 H ASP 25 51.195 48.708 68.893 180 HA ASP 25 HA ASP 25 52.052 45.952 69.585 181 1HB ASP 25 2HB ASP 25 52.041 47.956 71.698 182 2HB ASP 25 1HB ASP 25 50.450 47.062 71.774 183 H ILE 26 H ILE 26 50.763 47.184 67.616 184 HA ILE 26 HA ILE 26 47.902 47.352 68.137 185 HB ILE 26 HB ILE 26 48.891 48.786 66.516 186 1HG1 ILE 26 2HG1 ILE 26 47.206 46.892 64.780 187 2HG1 ILE 26 1HG1 ILE 26 46.520 47.668 66.259 188 1HG2 ILE 26 1HG2 ILE 26 49.172 46.483 64.527 189 2HG2 ILE 26 2HG2 ILE 26 50.589 46.872 65.619 190 3HG2 ILE 26 3HG2 ILE 26 49.914 48.139 64.484 191 1HD1 ILE 26 1HD1 ILE 26 47.879 49.846 65.024 192 2HD1 ILE 26 2HD1 ILE 26 46.084 49.481 64.875 193 3HD1 ILE 26 3HD1 ILE 26 47.215 48.851 63.670 194 H ASP 27 H ASP 27 49.827 45.088 66.047 195 HA ASP 27 HA ASP 27 48.697 42.736 66.950 196 1HB ASP 27 2HB ASP 27 46.768 44.261 65.430 197 2HB ASP 27 1HB ASP 27 47.237 42.796 64.389 198 H PHE 28 H PHE 28 48.964 40.840 65.427 199 HA PHE 28 HA PHE 28 51.451 41.304 63.995 200 1HB PHE 28 2HB PHE 28 49.899 39.016 65.121 201 2HB PHE 28 1HB PHE 28 50.502 38.630 63.428 202 HD1 PHE 28 HD1 PHE 28 53.010 40.147 63.354 203 HD2 PHE 28 HD2 PHE 28 51.309 37.836 66.543 204 HE1 PHE 28 HE1 PHE 28 55.304 39.738 64.259 205 HE2 PHE 28 HE2 PHE 28 53.578 37.420 67.452 206 HZ PHE 28 HZ PHE 28 55.583 38.348 66.351 207 H ALA 29 H ALA 29 48.117 41.061 63.343 208 HA ALA 29 HA ALA 29 48.237 40.321 60.415 209 1HB ALA 29 1HB ALA 29 46.249 40.297 62.388 210 2HB ALA 29 2HB ALA 29 45.951 40.451 60.607 211 3HB ALA 29 3HB ALA 29 45.932 41.948 61.632 212 H THR 30 H THR 30 48.496 43.084 62.398 213 HA THR 30 HA THR 30 47.968 45.007 60.298 214 HB THR 30 HB THR 30 49.515 45.405 62.917 215 HG1 THR 30 1HG THR 30 46.968 46.243 62.865 216 1HG2 THR 30 1HG2 THR 30 48.474 47.772 62.611 217 2HG2 THR 30 2HG2 THR 30 47.791 47.240 61.007 218 3HG2 THR 30 3HG2 THR 30 49.618 47.384 61.265 219 H ARG 31 H ARG 31 50.801 43.468 61.413 220 HA ARG 31 HA ARG 31 52.729 45.064 59.874 221 1HB ARG 31 2HB ARG 31 53.937 44.320 61.673 222 2HB ARG 31 1HB ARG 31 52.805 43.000 61.981 223 1HG ARG 31 2HG ARG 31 54.615 42.691 59.515 224 2HG ARG 31 1HG ARG 31 55.298 42.536 61.198 225 1HD ARG 31 2HD ARG 31 53.152 40.947 61.514 226 2HD ARG 31 1HD ARG 31 53.150 40.795 59.717 227 HE ARG 31 HE ARG 31 55.245 39.831 61.574 228 1HH1 ARG 31 2HH2 ARG 31 54.074 40.260 58.148 229 2HH1 ARG 31 1HH2 ARG 31 55.203 39.095 57.523 230 1HH2 ARG 31 2HH1 ARG 31 56.624 38.362 60.675 231 2HH2 ARG 31 1HH1 ARG 31 56.686 37.967 58.937 232 H LYS 32 H LYS 32 50.977 41.921 59.606 233 HA LYS 32 HA LYS 32 52.538 41.099 57.311 234 1HB LYS 32 2HB LYS 32 51.537 39.313 58.465 235 2HB LYS 32 1HB LYS 32 50.031 40.300 58.757 236 1HG LYS 32 2HG LYS 32 49.418 40.006 56.339 237 2HG LYS 32 1HG LYS 32 50.888 39.067 56.025 238 1HD LYS 32 2HD LYS 32 50.020 37.113 57.010 239 2HD LYS 32 1HD LYS 32 49.501 38.015 58.437 240 1HE LYS 32 2HE LYS 32 47.474 38.943 57.183 241 2HE LYS 32 1HE LYS 32 47.980 37.987 55.731 242 1HZ LYS 32 1HZ LYS 32 47.877 35.975 57.190 243 2HZ LYS 32 2HZ LYS 32 46.414 36.760 57.052 244 3HZ LYS 32 3HZ LYS 32 47.416 36.952 58.405 245 H ILE 33 H ILE 33 49.728 42.975 58.121 246 HA ILE 33 HA ILE 33 48.562 42.994 55.458 247 HB ILE 33 HB ILE 33 48.095 44.605 58.053 248 1HG1 ILE 33 2HG1 ILE 33 45.983 43.666 58.087 249 2HG1 ILE 33 1HG1 ILE 33 45.817 43.900 56.308 250 1HG2 ILE 33 1HG2 ILE 33 48.102 46.428 56.530 251 2HG2 ILE 33 2HG2 ILE 33 46.345 45.890 56.589 252 3HG2 ILE 33 3HG2 ILE 33 47.381 45.456 55.181 253 1HD1 ILE 33 1HD1 ILE 33 47.829 41.703 57.169 254 2HD1 ILE 33 2HD1 ILE 33 46.692 41.828 55.770 255 3HD1 ILE 33 3HD1 ILE 33 46.089 41.364 57.410 256 H ALA 34 H ALA 34 50.497 45.153 57.515 257 HA ALA 34 HA ALA 34 50.810 47.384 55.630 258 1HB ALA 34 1HB ALA 34 52.165 46.338 58.215 259 2HB ALA 34 2HB ALA 34 51.322 47.882 57.872 260 3HB ALA 34 3HB ALA 34 53.001 47.621 57.250 261 H VAL 35 H VAL 35 52.284 44.357 56.171 262 HA VAL 35 HA VAL 35 54.873 44.759 55.002 263 HB VAL 35 HB VAL 35 53.193 42.437 55.692 264 1HG1 VAL 35 1HG1 VAL 35 55.336 42.309 53.432 265 2HG1 VAL 35 2HG1 VAL 35 53.586 41.798 53.319 266 3HG1 VAL 35 3HG1 VAL 35 54.746 40.836 54.288 267 1HG2 VAL 35 1HG2 VAL 35 56.290 42.779 55.653 268 2HG2 VAL 35 2HG2 VAL 35 55.261 41.612 56.651 269 3HG2 VAL 35 3HG2 VAL 35 55.188 43.382 56.985 270 H ARG 36 H ARG 36 51.812 43.992 53.485 271 HA ARG 36 HA ARG 36 53.228 44.143 50.780 272 1HB ARG 36 2HB ARG 36 51.998 42.500 49.979 273 2HB ARG 36 1HB ARG 36 51.846 42.053 51.783 274 1HG ARG 36 2HG ARG 36 49.646 43.812 50.592 275 2HG ARG 36 1HG ARG 36 49.672 42.033 50.298 276 1HD ARG 36 2HD ARG 36 50.160 41.772 52.781 277 2HD ARG 36 1HD ARG 36 49.475 43.422 53.015 278 HE ARG 36 HE ARG 36 47.398 42.771 52.006 279 1HH1 ARG 36 1HH1 ARG 36 49.636 39.989 52.326 280 2HH1 ARG 36 2HH1 ARG 36 48.345 38.845 52.084 281 1HH2 ARG 36 1HH2 ARG 36 45.763 41.119 51.707 282 2HH2 ARG 36 2HH2 ARG 36 46.219 39.412 51.764 283 H LEU 37 H LEU 37 51.178 45.742 52.901 284 HA LEU 37 HA LEU 37 49.376 46.814 50.859 285 1HB LEU 37 2HB LEU 37 49.901 47.338 53.872 286 2HB LEU 37 1HB LEU 37 49.365 48.736 52.876 287 HG LEU 37 HG LEU 37 47.578 47.274 53.934 288 1HD1 LEU 37 1HD1 LEU 37 47.445 49.198 52.130 289 2HD1 LEU 37 2HD1 LEU 37 46.053 48.093 52.364 290 3HD1 LEU 37 3HD1 LEU 37 47.159 47.837 50.942 291 1HD2 LEU 37 1HD2 LEU 37 47.547 45.844 51.215 292 2HD2 LEU 37 2HD2 LEU 37 46.941 45.247 52.812 293 3HD2 LEU 37 3HD2 LEU 37 48.743 45.224 52.413 294 H THR 38 H THR 38 50.123 47.809 49.250 295 HA THR 38 HA THR 38 52.246 49.880 49.602 296 HB THR 38 HB THR 38 51.766 49.678 46.864 297 HG1 THR 38 1HG THR 38 51.302 47.080 47.656 298 1HG2 THR 38 1HG2 THR 38 53.149 47.220 48.202 299 2HG2 THR 38 2HG2 THR 38 53.959 48.811 48.337 300 3HG2 THR 38 3HG2 THR 38 53.580 48.128 46.687 301 H GLN 39 H GLN 39 50.212 50.756 50.888 302 HA GLN 39 HA GLN 39 48.218 51.966 49.366 303 1HB GLN 39 2HB GLN 39 47.627 53.070 51.507 304 2HB GLN 39 1HB GLN 39 48.456 51.485 51.892 305 1HG GLN 39 2HG GLN 39 50.651 53.018 51.638 306 2HG GLN 39 1HG GLN 39 49.484 54.390 52.037 307 1HE2 GLN 39 2HE2 GLN 39 51.595 52.083 53.337 308 2HE2 GLN 39 1HE2 GLN 39 50.906 52.039 54.971 309 H THR 40 H THR 40 47.707 54.184 49.752 310 HA THR 40 HA THR 40 49.680 55.954 48.413 311 HB THR 40 HB THR 40 46.819 56.843 48.752 312 HG1 THR 40 1HG THR 40 47.490 54.746 47.021 313 1HG2 THR 40 1HG2 THR 40 49.085 57.157 46.829 314 2HG2 THR 40 2HG2 THR 40 47.674 58.225 47.083 315 3HG2 THR 40 3HG2 THR 40 47.552 56.756 45.969 316 H LYS 41 H LYS 41 49.249 58.215 48.705 317 HA LYS 41 HA LYS 41 48.327 59.181 51.401 318 1HB LYS 41 2HB LYS 41 50.564 57.798 51.724 319 2HB LYS 41 1HB LYS 41 51.379 59.235 50.976 320 1HG LYS 41 2HG LYS 41 49.926 60.486 52.836 321 2HG LYS 41 1HG LYS 41 49.875 58.851 53.603 322 1HD LYS 41 2HD LYS 41 51.897 59.997 54.470 323 2HD LYS 41 1HD LYS 41 52.482 58.792 53.240 324 1HE LYS 41 2HE LYS 41 52.813 60.451 51.585 325 2HE LYS 41 1HE LYS 41 51.910 61.708 52.581 326 1HZ LYS 41 1HZ LYS 41 53.814 62.058 53.774 327 2HZ LYS 41 2HZ LYS 41 54.660 61.227 52.574 328 3HZ LYS 41 3HZ LYS 41 54.144 60.402 53.888 329 H ILE 42 H ILE 42 48.827 61.548 51.582 330 HA ILE 42 HA ILE 42 50.305 62.889 49.386 331 HB ILE 42 HB ILE 42 48.532 62.571 47.776 332 1HG1 ILE 42 2HG1 ILE 42 47.175 64.859 49.207 333 2HG1 ILE 42 1HG1 ILE 42 48.831 65.090 48.569 334 1HG2 ILE 42 1HG2 ILE 42 46.921 61.307 48.703 335 2HG2 ILE 42 2HG2 ILE 42 46.054 62.852 48.760 336 3HG2 ILE 42 3HG2 ILE 42 46.905 62.192 50.264 337 1HD1 ILE 42 1HD1 ILE 42 48.089 64.686 46.266 338 2HD1 ILE 42 2HD1 ILE 42 46.714 65.593 46.999 339 3HD1 ILE 42 3HD1 ILE 42 46.649 63.770 46.831 340 H ILE 43 H ILE 43 51.218 64.217 50.499 341 HA ILE 43 HA ILE 43 50.082 65.760 52.742 342 HB ILE 43 HB ILE 43 52.559 66.141 51.077 343 1HG1 ILE 43 2HG1 ILE 43 52.510 64.523 53.718 344 2HG1 ILE 43 1HG1 ILE 43 52.219 63.703 52.087 345 1HG2 ILE 43 1HG2 ILE 43 53.417 66.888 53.464 346 2HG2 ILE 43 2HG2 ILE 43 51.686 66.818 53.947 347 3HG2 ILE 43 3HG2 ILE 43 52.151 67.963 52.636 348 1HD1 ILE 43 1HD1 ILE 43 54.635 64.528 53.494 349 2HD1 ILE 43 2HD1 ILE 43 54.566 65.398 51.881 350 3HD1 ILE 43 3HD1 ILE 43 54.583 63.617 51.950 351 H VAL 44 H VAL 44 50.064 67.985 52.863 352 HA VAL 44 HA VAL 44 50.403 69.557 50.385 353 HB VAL 44 HB VAL 44 48.321 68.387 49.856 354 1HG1 VAL 44 1HG1 VAL 44 46.522 69.568 51.826 355 2HG1 VAL 44 2HG1 VAL 44 47.823 68.456 52.543 356 3HG1 VAL 44 3HG1 VAL 44 46.722 67.854 51.275 357 1HG2 VAL 44 1HG2 VAL 44 48.524 71.231 49.576 358 2HG2 VAL 44 2HG2 VAL 44 47.168 71.075 50.752 359 3HG2 VAL 44 3HG2 VAL 44 47.001 70.324 49.128 360 H GLN 45 H GLN 45 51.542 70.941 51.512 361 HA GLN 45 HA GLN 45 50.449 72.205 53.882 362 1HB GLN 45 2HB GLN 45 52.843 71.513 53.511 363 2HB GLN 45 1HB GLN 45 53.088 72.842 52.310 364 1HG GLN 45 2HG GLN 45 51.917 74.255 54.294 365 2HG GLN 45 1HG GLN 45 52.630 72.867 55.303 366 1HE2 GLN 45 1HE2 GLN 45 53.497 74.723 52.387 367 2HE2 GLN 45 2HE2 GLN 45 55.172 75.233 53.029 368 H ASP 46 H ASP 46 49.559 73.902 54.230 369 HA ASP 46 HA ASP 46 49.735 76.049 52.150 370 1HB ASP 46 2HB ASP 46 47.254 75.271 53.799 371 2HB ASP 46 1HB ASP 46 47.270 76.502 52.416 372 H GLY 47 H GLY 47 51.477 76.123 53.900 373 1HA GLY 47 1HA GLY 47 52.504 77.519 55.434 374 2HA GLY 47 2HA GLY 47 50.980 78.537 55.604 375 H ASP 48 H ASP 48 52.823 75.926 56.639 376 HA ASP 48 HA ASP 48 52.937 74.808 58.696 377 1HB ASP 48 2HB ASP 48 50.588 76.543 59.734 378 2HB ASP 48 1HB ASP 48 52.074 75.902 60.675 379 H ASN 49 H ASN 49 49.564 75.596 58.186 380 HA ASN 49 HA ASN 49 48.472 73.119 59.187 381 1HB ASN 49 2HB ASN 49 46.983 74.821 57.072 382 2HB ASN 49 1HB ASN 49 46.332 73.903 58.501 383 1HD2 ASN 49 2HD2 ASN 49 47.313 76.765 57.119 384 2HD2 ASN 49 1HD2 ASN 49 47.353 77.802 58.690 385 H PHE 50 H PHE 50 50.046 71.746 58.070 386 HA PHE 50 HA PHE 50 49.175 70.976 55.298 387 1HB PHE 50 2HB PHE 50 51.242 70.065 54.917 388 2HB PHE 50 1HB PHE 50 51.701 71.354 56.091 389 HD1 PHE 50 HD1 PHE 50 51.104 67.678 55.860 390 HD2 PHE 50 HD2 PHE 50 52.256 71.033 58.325 391 HE1 PHE 50 HE1 PHE 50 51.977 66.109 57.737 392 HE2 PHE 50 HE2 PHE 50 53.079 69.509 60.083 393 HZ PHE 50 HZ PHE 50 52.889 67.096 59.709 394 H LYS 51 H LYS 51 48.784 68.753 54.604 395 HA LYS 51 HA LYS 51 48.472 66.940 56.838 396 1HB LYS 51 2HB LYS 51 46.007 66.718 56.555 397 2HB LYS 51 1HB LYS 51 46.477 68.457 56.904 398 1HG LYS 51 2HG LYS 51 45.220 69.021 54.955 399 2HG LYS 51 1HG LYS 51 46.515 68.151 54.041 400 1HD LYS 51 2HD LYS 51 45.119 66.579 53.544 401 2HD LYS 51 1HD LYS 51 44.618 66.308 55.317 402 1HE LYS 51 2HE LYS 51 43.471 68.562 53.646 403 2HE LYS 51 1HE LYS 51 42.726 66.849 53.729 404 1HZ LYS 51 1HZ LYS 51 43.414 68.603 56.016 405 2HZ LYS 51 2HZ LYS 51 42.470 67.206 56.083 406 3HZ LYS 51 3HZ LYS 51 41.919 68.648 55.366 407 H THR 52 H THR 52 48.267 64.952 56.490 408 HA THR 52 HA THR 52 48.275 64.007 53.588 409 HB THR 52 HB THR 52 50.472 63.802 54.232 410 HG1 THR 52 1HG THR 52 50.554 61.553 55.062 411 1HG2 THR 52 1HG2 THR 52 51.093 62.915 56.656 412 2HG2 THR 52 2HG2 THR 52 49.368 63.385 57.124 413 3HG2 THR 52 3HG2 THR 52 50.531 64.602 56.470 414 H LYS 53 H LYS 53 47.379 61.796 53.205 415 HA LYS 53 HA LYS 53 46.194 60.580 55.656 416 1HB LYS 53 2HB LYS 53 43.967 60.318 54.073 417 2HB LYS 53 1HB LYS 53 44.247 61.831 55.043 418 1HG LYS 53 2HG LYS 53 45.524 61.729 52.357 419 2HG LYS 53 1HG LYS 53 43.661 61.627 52.346 420 1HD LYS 53 2HD LYS 53 44.660 63.581 54.228 421 2HD LYS 53 1HD LYS 53 45.168 64.007 52.516 422 1HE LYS 53 2HE LYS 53 42.399 63.082 52.445 423 2HE LYS 53 1HE LYS 53 42.553 64.376 53.735 424 1HZ LYS 53 1HZ LYS 53 43.876 65.555 51.917 425 2HZ LYS 53 2HZ LYS 53 42.226 65.651 51.814 426 3HZ LYS 53 3HZ LYS 53 42.995 64.586 50.845 427 H THR 54 H THR 54 46.883 58.738 55.633 428 HA THR 54 HA THR 54 47.941 57.296 53.495 429 HB THR 54 HB THR 54 47.094 55.320 55.291 430 HG1 THR 54 1HG THR 54 47.793 56.566 57.269 431 1HG2 THR 54 1HG2 THR 54 49.517 57.321 55.420 432 2HG2 THR 54 2HG2 THR 54 49.456 55.788 54.410 433 3HG2 THR 54 3HG2 THR 54 49.610 55.684 56.172 434 H ASN 55 H ASN 55 47.091 55.313 52.374 435 HA ASN 55 HA ASN 55 44.110 55.062 52.393 436 1HB ASN 55 2HB ASN 55 45.178 56.716 50.586 437 2HB ASN 55 1HB ASN 55 45.457 55.080 49.725 438 1HD2 ASN 55 2HD2 ASN 55 43.221 56.832 51.816 439 2HD2 ASN 55 1HD2 ASN 55 41.678 56.413 50.817 440 H SER 56 H SER 56 45.472 53.427 53.668 441 HA SER 56 HA SER 56 46.342 50.978 52.307 442 1HB SER 56 2HB SER 56 46.790 52.135 54.747 443 2HB SER 56 1HB SER 56 45.478 50.875 55.182 444 HG SER 56 HG SER 56 46.796 49.364 54.833 445 H THR 57 H THR 57 43.809 51.759 54.512 446 HA THR 57 HA THR 57 41.413 51.392 54.094 447 HB THR 57 HB THR 57 41.934 49.977 51.987 448 HG1 THR 57 1HG THR 57 39.791 49.784 53.722 449 1HG2 THR 57 1HG2 THR 57 41.691 47.536 52.364 450 2HG2 THR 57 2HG2 THR 57 41.653 47.700 54.156 451 3HG2 THR 57 3HG2 THR 57 43.166 48.081 53.236 452 H PHE 58 H PHE 58 43.901 49.210 55.070 453 HA PHE 58 HA PHE 58 42.489 47.766 57.080 454 1HB PHE 58 2HB PHE 58 44.997 47.451 56.353 455 2HB PHE 58 1HB PHE 58 45.378 48.633 57.677 456 HD1 PHE 58 HD1 PHE 58 43.531 45.357 57.003 457 HD2 PHE 58 HD2 PHE 58 45.597 47.935 59.855 458 HE1 PHE 58 HE1 PHE 58 43.457 43.564 58.730 459 HE2 PHE 58 HE2 PHE 58 45.490 46.096 61.515 460 HZ PHE 58 HZ PHE 58 44.437 43.938 60.983 461 H ARG 59 H ARG 59 44.110 50.864 57.139 462 HA ARG 59 HA ARG 59 42.430 51.852 59.403 463 1HB ARG 59 2HB ARG 59 45.010 50.629 60.138 464 2HB ARG 59 1HB ARG 59 44.972 52.428 60.491 465 1HG ARG 59 2HG ARG 59 42.850 50.417 61.395 466 2HG ARG 59 1HG ARG 59 44.169 51.177 62.406 467 1HD ARG 59 2HD ARG 59 42.661 52.870 62.810 468 2HD ARG 59 1HD ARG 59 43.025 53.399 61.111 469 HE ARG 59 HE ARG 59 41.102 51.446 60.793 470 1HH1 ARG 59 2HH2 ARG 59 41.322 54.478 62.849 471 2HH1 ARG 59 1HH2 ARG 59 39.620 54.710 62.772 472 1HH2 ARG 59 2HH1 ARG 59 38.803 51.962 60.828 473 2HH2 ARG 59 1HH1 ARG 59 38.154 53.329 61.668 474 H ASN 60 H ASN 60 41.875 53.571 58.506 475 HA ASN 60 HA ASN 60 43.860 55.137 57.008 476 1HB ASN 60 2HB ASN 60 40.917 55.443 57.846 477 2HB ASN 60 1HB ASN 60 41.874 57.005 57.388 478 1HD2 ASN 60 2HD2 ASN 60 41.886 57.521 55.351 479 2HD2 ASN 60 1HD2 ASN 60 41.489 56.449 54.043 480 H TYR 61 H TYR 61 44.797 56.896 57.571 481 HA TYR 61 HA TYR 61 44.517 57.811 60.365 482 1HB TYR 61 2HB TYR 61 46.138 55.930 60.186 483 2HB TYR 61 1HB TYR 61 47.226 57.022 59.156 484 HD1 TYR 61 HD1 TYR 61 49.083 57.147 60.586 485 HD2 TYR 61 HD2 TYR 61 45.198 57.986 62.216 486 HE1 TYR 61 HE1 TYR 61 50.187 57.962 62.549 487 HE2 TYR 61 HE2 TYR 61 46.335 58.839 64.279 488 HH TYR 61 HH TYR 61 49.465 58.159 65.002 489 H ASP 62 H ASP 62 44.306 59.904 60.219 490 HA ASP 62 HA ASP 62 45.572 61.523 57.968 491 1HB ASP 62 2HB ASP 62 43.405 62.166 60.042 492 2HB ASP 62 1HB ASP 62 43.943 63.234 58.593 493 H LEU 63 H LEU 63 47.586 61.897 58.516 494 HA LEU 63 HA LEU 63 48.319 62.856 61.211 495 1HB LEU 63 2HB LEU 63 49.657 61.784 58.930 496 2HB LEU 63 1HB LEU 63 50.372 63.436 59.142 497 HG LEU 63 HG LEU 63 51.701 61.886 60.598 498 1HD1 LEU 63 1HD1 LEU 63 50.717 64.077 61.643 499 2HD1 LEU 63 2HD1 LEU 63 51.521 62.798 62.644 500 3HD1 LEU 63 3HD1 LEU 63 49.695 62.980 62.589 501 1HD2 LEU 63 1HD2 LEU 63 49.368 60.956 62.207 502 2HD2 LEU 63 2HD2 LEU 63 50.648 59.949 61.425 503 3HD2 LEU 63 3HD2 LEU 63 49.184 60.513 60.451 504 H ASP 64 H ASP 64 46.310 64.625 59.921 505 HA ASP 64 HA ASP 64 47.544 67.020 58.994 506 1HB ASP 64 2HB ASP 64 45.481 68.081 59.776 507 2HB ASP 64 1HB ASP 64 44.990 66.411 59.050 508 H PHE 65 H PHE 65 48.798 68.445 59.799 509 HA PHE 65 HA PHE 65 48.858 68.966 62.707 510 1HB PHE 65 2HB PHE 65 50.248 66.851 62.343 511 2HB PHE 65 1HB PHE 65 51.191 67.806 61.109 512 HD1 PHE 65 HD1 PHE 65 53.298 67.903 61.942 513 HD2 PHE 65 HD2 PHE 65 49.864 68.862 64.405 514 HE1 PHE 65 HE1 PHE 65 54.771 68.730 63.718 515 HE2 PHE 65 HE2 PHE 65 51.348 69.682 66.163 516 HZ PHE 65 HZ PHE 65 53.864 69.637 65.871 517 H THR 66 H THR 66 50.060 70.722 63.091 518 HA THR 66 HA THR 66 50.561 72.670 60.863 519 HB THR 66 HB THR 66 50.047 72.990 63.876 520 HG1 THR 66 1HG THR 66 48.088 73.866 62.948 521 1HG2 THR 66 1HG2 THR 66 49.517 75.477 63.091 522 2HG2 THR 66 2HG2 THR 66 49.984 74.939 61.443 523 3HG2 THR 66 3HG2 THR 66 51.239 74.975 62.712 524 H VAL 67 H VAL 67 52.435 73.447 60.549 525 HA VAL 67 HA VAL 67 54.868 72.185 61.459 526 HB VAL 67 HB VAL 67 54.243 74.874 60.168 527 1HG1 VAL 67 1HG1 VAL 67 56.371 75.151 61.417 528 2HG1 VAL 67 2HG1 VAL 67 56.833 74.714 59.687 529 3HG1 VAL 67 3HG1 VAL 67 56.833 73.447 60.993 530 1HG2 VAL 67 1HG2 VAL 67 55.966 72.664 58.950 531 2HG2 VAL 67 2HG2 VAL 67 54.722 73.771 58.177 532 3HG2 VAL 67 3HG2 VAL 67 54.266 72.293 59.220 533 H GLY 68 H GLY 68 55.856 72.153 63.162 534 1HA GLY 68 1HA GLY 68 56.748 72.812 65.191 535 2HA GLY 68 2HA GLY 68 56.694 74.551 64.533 536 H VAL 69 H VAL 69 53.591 73.097 64.704 537 HA VAL 69 HA VAL 69 53.202 74.375 67.395 538 HB VAL 69 HB VAL 69 51.364 73.988 64.921 539 1HG1 VAL 69 1HG1 VAL 69 49.963 74.005 66.844 540 2HG1 VAL 69 2HG1 VAL 69 49.719 75.608 66.049 541 3HG1 VAL 69 3HG1 VAL 69 50.796 75.477 67.502 542 1HG2 VAL 69 1HG2 VAL 69 51.764 76.809 65.659 543 2HG2 VAL 69 2HG2 VAL 69 52.127 76.014 64.089 544 3HG2 VAL 69 3HG2 VAL 69 53.400 76.104 65.393 545 H GLU 70 H GLU 70 53.665 72.668 68.328 546 HA GLU 70 HA GLU 70 52.940 70.062 67.740 547 1HB GLU 70 2HB GLU 70 53.302 69.323 69.889 548 2HB GLU 70 1HB GLU 70 54.350 70.848 69.738 549 1HG GLU 70 2HG GLU 70 52.808 72.149 70.956 550 2HG GLU 70 1HG GLU 70 51.602 70.694 71.078 551 H PHE 71 H PHE 71 51.639 68.623 68.444 552 HA PHE 71 HA PHE 71 48.859 69.613 69.061 553 1HB PHE 71 2HB PHE 71 49.684 68.592 66.496 554 2HB PHE 71 1HB PHE 71 48.534 67.356 67.151 555 HD1 PHE 71 HD1 PHE 71 46.354 68.585 68.258 556 HD2 PHE 71 HD2 PHE 71 48.907 70.375 65.356 557 HE1 PHE 71 HE1 PHE 71 44.568 70.078 67.661 558 HE2 PHE 71 HE2 PHE 71 47.084 71.950 64.705 559 HZ PHE 71 HZ PHE 71 44.878 71.811 65.869 560 H ASP 72 H ASP 72 48.121 68.603 70.836 561 HA ASP 72 HA ASP 72 49.055 65.935 71.530 562 1HB ASP 72 2HB ASP 72 46.849 67.760 72.648 563 2HB ASP 72 1HB ASP 72 47.445 66.226 73.519 564 H GLU 73 H GLU 73 48.103 65.374 69.321 565 HA GLU 73 HA GLU 73 45.249 64.681 68.916 566 1HB GLU 73 2HB GLU 73 47.897 64.361 67.654 567 2HB GLU 73 1HB GLU 73 46.812 62.957 67.347 568 1HG GLU 73 2HG GLU 73 46.002 65.892 67.066 569 2HG GLU 73 1HG GLU 73 46.486 64.748 65.623 570 H HIS 74 H HIS 74 45.181 62.202 68.133 571 HA HIS 74 HA HIS 74 46.269 60.429 70.190 572 1HB HIS 74 2HB HIS 74 44.103 59.713 71.158 573 2HB HIS 74 1HB HIS 74 44.228 61.521 71.232 574 HD1 HIS 74 HD1 HIS 74 42.059 62.679 70.416 575 HD2 HIS 74 HD2 HIS 74 42.893 58.993 68.599 576 HE1 HIS 74 HE1 HIS 74 40.156 62.247 68.781 577 HE2 HIS 74 HE2 HIS 74 40.650 59.975 67.652 578 H THR 75 H THR 75 46.109 58.264 69.791 579 HA THR 75 HA THR 75 45.678 57.649 66.899 580 HB THR 75 HB THR 75 46.788 55.429 68.133 581 HG1 THR 75 1HG THR 75 48.470 57.003 69.260 582 1HG2 THR 75 1HG2 THR 75 47.886 58.210 67.106 583 2HG2 THR 75 2HG2 THR 75 47.798 56.707 66.080 584 3HG2 THR 75 3HG2 THR 75 49.051 56.858 67.370 585 H LYS 76 H LYS 76 43.869 57.624 69.465 586 HA LYS 76 HA LYS 76 42.873 55.039 69.940 587 1HB LYS 76 2HB LYS 76 41.532 57.778 69.797 588 2HB LYS 76 1HB LYS 76 40.471 56.264 69.755 589 1HG LYS 76 2HG LYS 76 42.074 55.450 71.730 590 2HG LYS 76 1HG LYS 76 42.358 57.262 71.879 591 1HD LYS 76 2HD LYS 76 40.406 57.420 73.059 592 2HD LYS 76 1HD LYS 76 39.565 56.924 71.489 593 1HE LYS 76 2HE LYS 76 40.861 54.858 73.420 594 2HE LYS 76 1HE LYS 76 39.151 55.435 73.690 595 1HZ LYS 76 1HZ LYS 76 38.488 54.719 71.698 596 2HZ LYS 76 2HZ LYS 76 39.372 53.381 72.246 597 3HZ LYS 76 3HZ LYS 76 39.996 54.384 71.082 598 H GLY 77 H GLY 77 42.935 53.591 68.526 599 1HA GLY 77 1HA GLY 77 40.864 52.676 67.153 600 2HA GLY 77 2HA GLY 77 41.304 53.962 65.984 601 H LEU 78 H LEU 78 43.929 53.969 66.617 602 HA LEU 78 HA LEU 78 44.999 51.709 64.862 603 1HB LEU 78 2HB LEU 78 45.231 54.559 64.920 604 2HB LEU 78 1HB LEU 78 46.821 53.932 65.598 605 HG LEU 78 HG LEU 78 45.539 52.852 63.069 606 1HD1 LEU 78 1HD1 LEU 78 45.701 54.819 62.000 607 2HD1 LEU 78 2HD1 LEU 78 47.539 54.753 62.284 608 3HD1 LEU 78 3HD1 LEU 78 46.464 55.536 63.474 609 1HD2 LEU 78 1HD2 LEU 78 48.339 52.841 62.695 610 2HD2 LEU 78 2HD2 LEU 78 47.484 51.498 63.537 611 3HD2 LEU 78 3HD2 LEU 78 48.300 52.795 64.490 612 H ASP 79 H ASP 79 44.315 51.534 67.675 613 HA ASP 79 HA ASP 79 45.085 50.633 69.591 614 1HB ASP 79 2HB ASP 79 46.846 49.516 67.429 615 2HB ASP 79 1HB ASP 79 47.205 49.121 69.252 616 H GLY 80 H GLY 80 45.855 53.350 69.290 617 1HA GLY 80 1HA GLY 80 48.488 53.353 70.644 618 2HA GLY 80 2HA GLY 80 47.954 54.649 69.433 619 H ARG 81 H ARG 81 45.619 55.133 70.081 620 HA ARG 81 HA ARG 81 44.017 56.142 71.451 621 1HB ARG 81 2HB ARG 81 45.603 54.957 73.805 622 2HB ARG 81 1HB ARG 81 43.858 55.582 73.790 623 1HG ARG 81 2HG ARG 81 43.701 53.918 71.660 624 2HG ARG 81 1HG ARG 81 45.113 53.135 72.440 625 1HD ARG 81 2HD ARG 81 43.586 53.052 74.606 626 2HD ARG 81 1HD ARG 81 42.205 53.414 73.503 627 HE ARG 81 HE ARG 81 43.784 51.300 72.408 628 1HH1 ARG 81 1HH2 ARG 81 41.406 52.159 74.899 629 2HH1 ARG 81 2HH2 ARG 81 40.656 50.564 74.934 630 1HH2 ARG 81 2HH1 ARG 81 42.773 49.131 72.465 631 2HH2 ARG 81 1HH1 ARG 81 41.407 48.802 73.565 632 H ASN 82 H ASN 82 47.465 56.974 71.823 633 HA ASN 82 HA ASN 82 46.463 59.645 71.965 634 1HB ASN 82 2HB ASN 82 47.527 60.304 74.211 635 2HB ASN 82 1HB ASN 82 46.057 59.203 74.452 636 1HD2 ASN 82 2HD2 ASN 82 49.408 59.673 74.825 637 2HD2 ASN 82 1HD2 ASN 82 49.809 58.172 75.580 638 H VAL 83 H VAL 83 47.864 61.011 71.180 639 HA VAL 83 HA VAL 83 50.769 60.544 71.500 640 HB VAL 83 HB VAL 83 50.984 60.758 68.896 641 1HG1 VAL 83 1HG1 VAL 83 50.139 57.929 69.388 642 2HG1 VAL 83 2HG1 VAL 83 51.270 58.600 70.598 643 3HG1 VAL 83 3HG1 VAL 83 51.690 58.650 68.821 644 1HG2 VAL 83 1HG2 VAL 83 48.451 61.020 68.572 645 2HG2 VAL 83 2HG2 VAL 83 48.301 59.270 69.076 646 3HG2 VAL 83 3HG2 VAL 83 49.260 59.743 67.557 647 H LYS 84 H LYS 84 52.046 62.145 71.144 648 HA LYS 84 HA LYS 84 50.808 64.733 70.210 649 1HB LYS 84 2HB LYS 84 53.122 64.558 72.202 650 2HB LYS 84 1HB LYS 84 52.087 65.994 71.808 651 1HG LYS 84 2HG LYS 84 50.807 65.354 73.675 652 2HG LYS 84 1HG LYS 84 50.117 64.244 72.400 653 1HD LYS 84 2HD LYS 84 52.260 62.725 73.133 654 2HD LYS 84 1HD LYS 84 52.156 63.638 74.674 655 1HE LYS 84 2HE LYS 84 49.952 61.897 73.322 656 2HE LYS 84 1HE LYS 84 50.829 61.678 74.930 657 1HZ LYS 84 1HZ LYS 84 49.046 64.038 74.436 658 2HZ LYS 84 2HZ LYS 84 49.786 63.556 75.818 659 3HZ LYS 84 3HZ LYS 84 48.590 62.593 75.145 660 H THR 85 H THR 85 51.472 65.550 68.558 661 HA THR 85 HA THR 85 54.009 64.748 67.254 662 HB THR 85 HB THR 85 51.431 66.095 66.531 663 HG1 THR 85 1HG THR 85 52.080 63.801 67.090 664 1HG2 THR 85 1HG2 THR 85 53.189 64.725 64.496 665 2HG2 THR 85 2HG2 THR 85 54.047 66.166 65.101 666 3HG2 THR 85 3HG2 THR 85 52.399 66.342 64.251 667 H LEU 86 H LEU 86 55.560 65.899 66.732 668 HA LEU 86 HA LEU 86 55.437 68.817 66.696 669 1HB LEU 86 2HB LEU 86 56.022 68.121 69.224 670 2HB LEU 86 1HB LEU 86 57.555 67.493 68.491 671 HG LEU 86 HG LEU 86 57.219 70.144 67.451 672 1HD1 LEU 86 1HD1 LEU 86 56.338 71.245 69.282 673 2HD1 LEU 86 2HD1 LEU 86 57.872 70.853 70.134 674 3HD1 LEU 86 3HD1 LEU 86 56.503 69.731 70.352 675 1HD2 LEU 86 1HD2 LEU 86 59.463 69.014 67.698 676 2HD2 LEU 86 2HD2 LEU 86 59.121 68.661 69.435 677 3HD2 LEU 86 3HD2 LEU 86 59.444 70.347 68.913 678 H VAL 87 H VAL 87 56.165 69.264 64.898 679 HA VAL 87 HA VAL 87 58.582 67.832 63.896 680 HB VAL 87 HB VAL 87 56.121 67.601 62.767 681 1HG1 VAL 87 1HG1 VAL 87 55.422 69.350 61.268 682 2HG1 VAL 87 2HG1 VAL 87 56.980 70.183 61.494 683 3HG1 VAL 87 3HG1 VAL 87 55.786 70.125 62.858 684 1HG2 VAL 87 1HG2 VAL 87 58.485 68.525 60.998 685 2HG2 VAL 87 2HG2 VAL 87 57.051 67.542 60.474 686 3HG2 VAL 87 3HG2 VAL 87 58.306 66.856 61.610 687 H THR 88 H THR 88 59.840 69.024 62.341 688 HA THR 88 HA THR 88 59.680 71.955 62.252 689 HB THR 88 HB THR 88 61.744 70.227 63.785 690 HG1 THR 88 1HG THR 88 60.734 72.570 64.822 691 1HG2 THR 88 1HG2 THR 88 62.792 72.599 64.193 692 2HG2 THR 88 2HG2 THR 88 62.021 73.190 62.717 693 3HG2 THR 88 3HG2 THR 88 63.177 71.802 62.565 694 H TRP 89 H TRP 89 60.243 72.366 60.327 695 HA TRP 89 HA TRP 89 61.348 70.755 58.179 696 1HB TRP 89 2HB TRP 89 61.459 73.800 58.705 697 2HB TRP 89 1HB TRP 89 62.123 73.039 57.210 698 HD1 TRP 89 HD1 TRP 89 58.771 73.380 59.081 699 HE1 TRP 89 HE1 TRP 89 56.925 72.790 57.254 700 HE3 TRP 89 HE3 TRP 89 61.809 72.018 55.420 701 HZ2 TRP 89 HZ2 TRP 89 56.974 71.801 54.482 702 HZ3 TRP 89 HZ3 TRP 89 60.985 71.275 53.283 703 HH2 TRP 89 HH2 TRP 89 58.653 71.165 52.825 704 H GLU 90 H GLU 90 63.366 70.362 57.395 705 HA GLU 90 HA GLU 90 65.470 71.432 59.177 706 1HB GLU 90 2HB GLU 90 64.255 69.093 59.736 707 2HB GLU 90 1HB GLU 90 65.490 68.427 58.630 708 1HG GLU 90 2HG GLU 90 66.295 68.372 61.039 709 2HG GLU 90 1HG GLU 90 67.247 69.708 60.108 710 H GLY 91 H GLY 91 64.868 72.018 56.653 711 1HA GLY 91 1HA GLY 91 66.063 72.645 54.769 712 2HA GLY 91 2HA GLY 91 67.462 71.477 55.218 713 H ASN 92 H ASN 92 64.341 72.010 54.048 714 HA ASN 92 HA ASN 92 62.784 71.009 52.710 715 1HB ASN 92 2HB ASN 92 65.310 69.733 51.403 716 2HB ASN 92 1HB ASN 92 63.549 69.642 50.764 717 1HD2 ASN 92 1HD2 ASN 92 66.122 70.802 49.888 718 2HD2 ASN 92 2HD2 ASN 92 65.708 72.479 49.436 719 H THR 93 H THR 93 63.080 70.092 55.063 720 HA THR 93 HA THR 93 62.237 67.211 54.857 721 HB THR 93 HB THR 93 63.700 67.656 57.381 722 HG1 THR 93 1HG THR 93 65.146 68.033 55.034 723 1HG2 THR 93 1HG2 THR 93 63.236 65.476 55.492 724 2HG2 THR 93 2HG2 THR 93 64.217 65.421 56.988 725 3HG2 THR 93 3HG2 THR 93 65.037 65.789 55.423 726 H LEU 94 H LEU 94 61.946 66.869 57.657 727 HA LEU 94 HA LEU 94 60.445 68.742 59.031 728 1HB LEU 94 2HB LEU 94 58.018 68.104 58.566 729 2HB LEU 94 1HB LEU 94 58.870 69.036 57.277 730 HG LEU 94 HG LEU 94 59.532 66.384 56.748 731 1HD1 LEU 94 1HD1 LEU 94 57.021 66.282 58.322 732 2HD1 LEU 94 2HD1 LEU 94 57.931 64.957 57.533 733 3HD1 LEU 94 3HD1 LEU 94 56.634 65.825 56.604 734 1HD2 LEU 94 1HD2 LEU 94 59.047 67.705 54.916 735 2HD2 LEU 94 2HD2 LEU 94 57.452 68.235 55.571 736 3HD2 LEU 94 3HD2 LEU 94 57.679 66.544 54.857 737 H VAL 95 H VAL 95 61.938 67.526 60.088 738 HA VAL 95 HA VAL 95 61.592 64.821 60.837 739 HB VAL 95 HB VAL 95 62.802 67.281 62.298 740 1HG1 VAL 95 1HG1 VAL 95 63.078 65.811 64.054 741 2HG1 VAL 95 2HG1 VAL 95 64.366 65.037 63.012 742 3HG1 VAL 95 3HG1 VAL 95 62.648 64.476 62.929 743 1HG2 VAL 95 1HG2 VAL 95 64.843 65.542 61.180 744 2HG2 VAL 95 2HG2 VAL 95 64.391 67.235 60.655 745 3HG2 VAL 95 3HG2 VAL 95 63.559 65.855 59.864 746 H CYS 96 H CYS 96 59.646 64.345 61.532 747 HA CYS 96 HA CYS 96 58.629 65.719 63.983 748 1HB CYS 96 2HB CYS 96 56.830 65.792 62.341 749 2HB CYS 96 1HB CYS 96 57.276 64.247 61.617 750 HG CYS 96 HG CYS 96 56.195 62.677 63.068 751 H VAL 97 H VAL 97 58.269 64.592 65.627 752 HA VAL 97 HA VAL 97 58.831 61.709 65.980 753 HB VAL 97 HB VAL 97 59.754 63.737 68.002 754 1HG1 VAL 97 1HG1 VAL 97 60.195 61.041 67.913 755 2HG1 VAL 97 2HG1 VAL 97 61.660 62.068 68.357 756 3HG1 VAL 97 3HG1 VAL 97 61.391 61.507 66.657 757 1HG2 VAL 97 1HG2 VAL 97 61.906 63.919 66.666 758 2HG2 VAL 97 2HG2 VAL 97 60.467 64.898 66.073 759 3HG2 VAL 97 3HG2 VAL 97 61.031 63.322 65.249 760 H GLN 98 H GLN 98 57.406 60.766 67.183 761 HA GLN 98 HA GLN 98 55.240 62.362 68.544 762 1HB GLN 98 2HB GLN 98 55.640 59.648 67.428 763 2HB GLN 98 1HB GLN 98 54.468 59.775 68.876 764 1HG GLN 98 2HG GLN 98 53.144 61.477 67.705 765 2HG GLN 98 1HG GLN 98 54.285 61.330 66.259 766 1HE2 GLN 98 2HE2 GLN 98 51.626 61.166 66.213 767 2HE2 GLN 98 1HE2 GLN 98 51.120 59.514 65.693 768 H LYS 99 H LYS 99 54.186 61.417 70.256 769 HA LYS 99 HA LYS 99 56.051 60.205 72.335 770 1HB LYS 99 2HB LYS 99 54.343 62.544 73.045 771 2HB LYS 99 1HB LYS 99 55.721 61.856 73.965 772 1HG LYS 99 2HG LYS 99 56.192 63.150 71.202 773 2HG LYS 99 1HG LYS 99 56.241 64.149 72.658 774 1HD LYS 99 2HD LYS 99 58.116 62.980 73.573 775 2HD LYS 99 1HD LYS 99 57.837 61.510 72.508 776 1HE LYS 99 2HE LYS 99 59.815 63.122 71.840 777 2HE LYS 99 1HE LYS 99 58.523 62.866 70.580 778 1HZ LYS 99 1HZ LYS 99 57.851 64.961 70.745 779 2HZ LYS 99 2HZ LYS 99 59.344 65.285 71.437 780 3HZ LYS 99 3HZ LYS 99 58.012 64.980 72.414 781 H GLY 100 H GLY 100 54.687 60.094 74.357 782 1HA GLY 100 1HA GLY 100 52.402 59.881 75.331 783 2HA GLY 100 2HA GLY 100 51.829 59.121 73.803 784 H GLU 101 H GLU 101 52.945 57.329 73.103 785 HA GLU 101 HA GLU 101 54.177 55.542 75.231 786 1HB GLU 101 2HB GLU 101 51.791 54.835 73.269 787 2HB GLU 101 1HB GLU 101 52.718 53.688 74.290 788 1HG GLU 101 2HG GLU 101 52.173 55.090 76.310 789 2HG GLU 101 1HG GLU 101 50.948 55.995 75.210 790 H LYS 102 H LYS 102 54.871 57.226 72.790 791 HA LYS 102 HA LYS 102 56.128 55.070 71.052 792 1HB LYS 102 2HB LYS 102 54.835 57.811 70.695 793 2HB LYS 102 1HB LYS 102 56.340 57.480 69.702 794 1HG LYS 102 2HG LYS 102 54.563 56.774 68.333 795 2HG LYS 102 1HG LYS 102 55.206 55.245 69.108 796 1HD LYS 102 2HD LYS 102 53.427 55.628 70.923 797 2HD LYS 102 1HD LYS 102 52.613 56.775 69.751 798 1HE LYS 102 2HE LYS 102 52.553 54.980 68.009 799 2HE LYS 102 1HE LYS 102 53.243 53.877 69.257 800 1HZ LYS 102 1HZ LYS 102 50.984 55.054 70.440 801 2HZ LYS 102 2HZ LYS 102 51.083 53.532 69.800 802 3HZ LYS 102 3HZ LYS 102 50.513 54.796 68.870 803 H GLU 103 H GLU 103 56.378 58.360 72.089 804 HA GLU 103 HA GLU 103 58.083 59.641 72.965 805 1HB GLU 103 2HB GLU 103 59.968 57.216 73.056 806 2HB GLU 103 1HB GLU 103 59.886 58.655 74.132 807 1HG GLU 103 2HG GLU 103 57.356 57.850 74.473 808 2HG GLU 103 1HG GLU 103 58.172 56.161 74.188 809 H ASN 104 H ASN 104 59.565 57.057 70.878 810 HA ASN 104 HA ASN 104 60.907 59.254 69.449 811 1HB ASN 104 2HB ASN 104 62.579 58.107 70.804 812 2HB ASN 104 1HB ASN 104 61.951 56.445 70.449 813 1HD2 ASN 104 1HD2 ASN 104 62.562 59.207 68.212 814 2HD2 ASN 104 2HD2 ASN 104 63.844 58.237 67.247 815 H ARG 105 H ARG 105 58.903 59.060 68.193 816 HA ARG 105 HA ARG 105 59.093 56.889 66.182 817 1HB ARG 105 2HB ARG 105 57.124 56.328 67.855 818 2HB ARG 105 1HB ARG 105 56.392 57.844 67.233 819 1HG ARG 105 2HG ARG 105 56.451 57.016 64.896 820 2HG ARG 105 1HG ARG 105 57.326 55.504 65.478 821 1HD ARG 105 2HD ARG 105 55.347 55.105 67.059 822 2HD ARG 105 1HD ARG 105 54.451 56.214 65.905 823 HE ARG 105 HE ARG 105 55.332 53.418 65.516 824 1HH1 ARG 105 2HH2 ARG 105 55.001 56.530 63.635 825 2HH1 ARG 105 1HH2 ARG 105 54.890 55.771 62.097 826 1HH2 ARG 105 2HH1 ARG 105 55.178 52.476 63.521 827 2HH2 ARG 105 1HH1 ARG 105 54.991 53.419 62.029 828 H GLY 106 H GLY 106 60.113 58.194 65.115 829 1HA GLY 106 1HA GLY 106 58.447 60.352 63.735 830 2HA GLY 106 2HA GLY 106 60.183 60.642 64.143 831 H TRP 107 H TRP 107 59.106 61.068 61.920 832 HA TRP 107 HA TRP 107 60.497 59.288 59.980 833 1HB TRP 107 2HB TRP 107 58.511 60.668 58.472 834 2HB TRP 107 1HB TRP 107 58.566 58.921 58.839 835 HD1 TRP 107 HD1 TRP 107 57.385 58.399 61.585 836 HE1 TRP 107 HE1 TRP 107 55.349 59.466 62.635 837 HE3 TRP 107 HE3 TRP 107 57.273 62.392 58.607 838 HZ2 TRP 107 HZ2 TRP 107 53.963 61.786 62.131 839 HZ3 TRP 107 HZ3 TRP 107 55.466 64.085 58.938 840 HH2 TRP 107 HH2 TRP 107 53.848 63.722 60.710 841 H LYS 108 H LYS 108 61.515 59.962 58.451 842 HA LYS 108 HA LYS 108 62.123 62.928 58.196 843 1HB LYS 108 2HB LYS 108 63.996 60.469 58.016 844 2HB LYS 108 1HB LYS 108 64.403 62.072 57.214 845 1HG LYS 108 2HG LYS 108 64.914 63.124 59.090 846 2HG LYS 108 1HG LYS 108 63.333 62.637 59.836 847 1HD LYS 108 2HD LYS 108 64.297 60.854 61.044 848 2HD LYS 108 1HD LYS 108 65.339 60.398 59.685 849 1HE LYS 108 2HE LYS 108 65.964 63.075 60.816 850 2HE LYS 108 1HE LYS 108 66.021 61.733 62.098 851 1HZ LYS 108 1HZ LYS 108 67.417 60.508 60.477 852 2HZ LYS 108 2HZ LYS 108 68.193 61.797 61.181 853 3HZ LYS 108 3HZ LYS 108 67.665 61.897 59.603 854 H GLN 109 H GLN 109 60.361 62.756 56.730 855 HA GLN 109 HA GLN 109 60.754 61.593 53.996 856 1HB GLN 109 2HB GLN 109 58.790 63.324 55.470 857 2HB GLN 109 1HB GLN 109 58.971 63.643 53.687 858 1HG GLN 109 2HG GLN 109 58.824 60.743 54.307 859 2HG GLN 109 1HG GLN 109 57.316 61.750 54.904 860 1HE2 GLN 109 2HE2 GLN 109 56.831 59.974 53.404 861 2HE2 GLN 109 1HE2 GLN 109 56.565 60.575 51.616 862 H TRP 110 H TRP 110 62.495 62.738 52.703 863 HA TRP 110 HA TRP 110 62.367 65.719 53.067 864 1HB TRP 110 2HB TRP 110 64.572 65.869 53.309 865 2HB TRP 110 1HB TRP 110 64.320 64.214 54.029 866 HD1 TRP 110 HD1 TRP 110 65.459 65.695 50.616 867 HE1 TRP 110 HE1 TRP 110 66.963 63.825 49.491 868 HE3 TRP 110 HE3 TRP 110 64.763 62.296 54.017 869 HZ2 TRP 110 HZ2 TRP 110 67.599 61.138 50.303 870 HZ3 TRP 110 HZ3 TRP 110 65.769 60.085 53.982 871 HH2 TRP 110 HH2 TRP 110 67.151 59.500 52.178 872 H VAL 111 H VAL 111 61.478 63.501 50.972 873 HA VAL 111 HA VAL 111 60.919 63.525 48.671 874 HB VAL 111 HB VAL 111 61.383 66.539 49.046 875 1HG1 VAL 111 1HG1 VAL 111 59.813 64.922 47.047 876 2HG1 VAL 111 2HG1 VAL 111 60.859 66.422 46.863 877 3HG1 VAL 111 3HG1 VAL 111 59.180 66.521 47.528 878 1HG2 VAL 111 1HG2 VAL 111 59.168 64.683 50.125 879 2HG2 VAL 111 2HG2 VAL 111 58.789 66.375 49.635 880 3HG2 VAL 111 3HG2 VAL 111 60.092 66.089 50.902 881 H GLU 112 H GLU 112 62.237 62.669 47.331 882 HA GLU 112 HA GLU 112 64.576 64.288 46.451 883 1HB GLU 112 2HB GLU 112 64.038 61.271 46.587 884 2HB GLU 112 1HB GLU 112 65.284 61.919 45.470 885 1HG GLU 112 2HG GLU 112 65.174 62.992 48.334 886 2HG GLU 112 1HG GLU 112 65.822 61.269 47.990 887 H GLY 113 H GLY 113 61.721 62.593 45.434 888 1HA GLY 113 1HA GLY 113 60.419 63.411 43.452 889 2HA GLY 113 2HA GLY 113 61.963 63.723 42.597 890 H ASP 114 H ASP 114 59.390 61.739 42.803 891 HA ASP 114 HA ASP 114 58.945 59.551 42.455 892 1HB ASP 114 2HB ASP 114 60.388 59.232 39.841 893 2HB ASP 114 1HB ASP 114 58.679 59.935 40.097 894 H LYS 115 H LYS 115 60.368 59.422 44.187 895 HA LYS 115 HA LYS 115 61.142 57.024 44.907 896 1HB LYS 115 2HB LYS 115 63.286 58.198 42.987 897 2HB LYS 115 1HB LYS 115 63.840 57.371 44.488 898 1HG LYS 115 2HG LYS 115 61.672 55.810 43.211 899 2HG LYS 115 1HG LYS 115 63.054 56.103 42.073 900 1HD LYS 115 2HD LYS 115 63.536 54.101 43.484 901 2HD LYS 115 1HD LYS 115 64.643 55.440 43.982 902 1HE LYS 115 2HE LYS 115 62.846 56.136 45.765 903 2HE LYS 115 1HE LYS 115 61.920 54.670 45.241 904 1HZ LYS 115 1HZ LYS 115 64.399 54.842 46.784 905 2HZ LYS 115 2HZ LYS 115 64.058 53.440 45.942 906 3HZ LYS 115 3HZ LYS 115 63.025 53.944 47.130 907 H LEU 116 H LEU 116 60.603 57.584 46.790 908 HA LEU 116 HA LEU 116 62.150 59.989 47.834 909 1HB LEU 116 2HB LEU 116 59.355 59.143 48.001 910 2HB LEU 116 1HB LEU 116 60.103 59.300 49.653 911 HG LEU 116 HG LEU 116 61.203 61.460 48.721 912 1HD1 LEU 116 1HD1 LEU 116 59.903 60.870 46.365 913 2HD1 LEU 116 2HD1 LEU 116 60.011 62.616 46.911 914 3HD1 LEU 116 3HD1 LEU 116 58.515 61.623 47.181 915 1HD2 LEU 116 1HD2 LEU 116 58.763 62.628 49.303 916 2HD2 LEU 116 2HD2 LEU 116 59.906 61.935 50.564 917 3HD2 LEU 116 3HD2 LEU 116 58.515 60.959 49.946 918 H TYR 117 H TYR 117 62.730 60.009 50.119 919 HA TYR 117 HA TYR 117 63.036 57.189 51.077 920 1HB TYR 117 2HB TYR 117 65.208 59.171 50.255 921 2HB TYR 117 1HB TYR 117 65.422 58.481 51.902 922 HD1 TYR 117 HD1 TYR 117 67.317 58.046 49.532 923 HD2 TYR 117 HD2 TYR 117 64.016 55.589 50.843 924 HE1 TYR 117 HE1 TYR 117 68.357 56.116 48.509 925 HE2 TYR 117 HE2 TYR 117 65.075 53.714 49.822 926 HH TYR 117 HH TYR 117 67.498 52.924 49.141 927 H LEU 118 H LEU 118 61.478 57.311 52.259 928 HA LEU 118 HA LEU 118 61.710 59.407 54.436 929 1HB LEU 118 2HB LEU 118 59.537 59.075 53.628 930 2HB LEU 118 1HB LEU 118 59.581 57.283 53.695 931 HG LEU 118 HG LEU 118 59.853 57.535 56.349 932 1HD1 LEU 118 1HD1 LEU 118 59.876 59.450 57.296 933 2HD1 LEU 118 2HD1 LEU 118 58.643 60.239 56.211 934 3HD1 LEU 118 3HD1 LEU 118 60.428 60.079 55.739 935 1HD2 LEU 118 1HD2 LEU 118 57.493 57.364 54.862 936 2HD2 LEU 118 2HD2 LEU 118 57.330 59.058 55.498 937 3HD2 LEU 118 3HD2 LEU 118 57.456 57.559 56.606 938 H GLU 119 H GLU 119 62.230 58.855 56.614 939 HA GLU 119 HA GLU 119 63.383 56.060 56.896 940 1HB GLU 119 2HB GLU 119 64.952 58.174 58.341 941 2HB GLU 119 1HB GLU 119 65.340 56.730 57.322 942 1HG GLU 119 2HG GLU 119 64.830 57.985 55.235 943 2HG GLU 119 1HG GLU 119 64.238 59.394 56.241 944 H LEU 120 H LEU 120 62.175 54.998 58.265 945 HA LEU 120 HA LEU 120 60.937 56.580 60.416 946 1HB LEU 120 2HB LEU 120 60.503 53.826 59.349 947 2HB LEU 120 1HB LEU 120 60.303 53.959 61.134 948 HG LEU 120 HG LEU 120 58.535 54.885 58.907 949 1HD1 LEU 120 1HD1 LEU 120 56.873 54.277 60.513 950 2HD1 LEU 120 2HD1 LEU 120 57.870 55.008 61.894 951 3HD1 LEU 120 3HD1 LEU 120 58.261 53.401 61.246 952 1HD2 LEU 120 1HD2 LEU 120 57.588 56.850 60.070 953 2HD2 LEU 120 2HD2 LEU 120 59.267 57.176 59.488 954 3HD2 LEU 120 3HD2 LEU 120 59.009 56.865 61.242 955 H THR 121 H THR 121 61.577 56.694 62.347 956 HA THR 121 HA THR 121 63.896 54.994 63.280 957 HB THR 121 HB THR 121 64.370 57.104 64.782 958 HG1 THR 121 1HG THR 121 63.562 58.928 63.403 959 1HG2 THR 121 1HG2 THR 121 64.507 57.143 61.619 960 2HG2 THR 121 2HG2 THR 121 65.813 56.550 62.728 961 3HG2 THR 121 3HG2 THR 121 65.439 58.310 62.636 962 H CYS 122 H CYS 122 60.891 54.708 63.409 963 HA CYS 122 HA CYS 122 60.031 55.037 66.175 964 1HB CYS 122 2HB CYS 122 58.127 53.723 65.400 965 2HB CYS 122 1HB CYS 122 58.554 54.697 64.004 966 HG CYS 122 HG CYS 122 60.409 52.386 63.466 967 H GLY 123 H GLY 123 59.740 53.735 67.710 968 1HA GLY 123 1HA GLY 123 60.088 51.725 68.993 969 2HA GLY 123 2HA GLY 123 60.924 51.028 67.551 970 H ASP 124 H ASP 124 62.544 50.184 68.626 971 HA ASP 124 HA ASP 124 64.512 51.729 70.285 972 1HB ASP 124 2HB ASP 124 64.054 48.844 69.399 973 2HB ASP 124 1HB ASP 124 65.471 49.404 70.501 974 H GLN 125 H GLN 125 64.153 49.619 67.554 975 HA GLN 125 HA GLN 125 66.863 50.513 66.452 976 1HB GLN 125 2HB GLN 125 66.268 48.781 64.644 977 2HB GLN 125 1HB GLN 125 66.443 48.035 66.272 978 1HG GLN 125 2HG GLN 125 64.090 47.822 66.684 979 2HG GLN 125 1HG GLN 125 63.771 48.864 65.175 980 1HE2 GLN 125 1HE2 GLN 125 62.733 47.449 64.116 981 2HE2 GLN 125 2HE2 GLN 125 63.502 45.860 63.414 982 H VAL 126 H VAL 126 66.620 50.581 63.944 983 HA VAL 126 HA VAL 126 64.637 52.719 63.229 984 HB VAL 126 HB VAL 126 67.587 52.157 62.405 985 1HG1 VAL 126 1HG1 VAL 126 65.781 53.352 60.721 986 2HG1 VAL 126 2HG1 VAL 126 67.409 54.161 61.033 987 3HG1 VAL 126 3HG1 VAL 126 65.911 54.710 61.913 988 1HG2 VAL 126 1HG2 VAL 126 67.522 54.632 63.519 989 2HG2 VAL 126 2HG2 VAL 126 67.852 53.170 64.482 990 3HG2 VAL 126 3HG2 VAL 126 66.153 53.912 64.417 991 H CYS 127 H CYS 127 63.602 52.678 61.327 992 HA CYS 127 HA CYS 127 64.143 50.249 59.543 993 1HB CYS 127 2HB CYS 127 61.537 51.868 59.533 994 2HB CYS 127 1HB CYS 127 61.711 50.157 59.241 995 HG CYS 127 HG CYS 127 61.712 51.859 62.135 996 H ARG 128 H ARG 128 62.457 51.033 57.485 997 HA ARG 128 HA ARG 128 63.573 53.683 56.676 998 1HB ARG 128 2HB ARG 128 65.202 51.672 56.218 999 2HB ARG 128 1HB ARG 128 64.082 51.409 54.761 1000 1HG ARG 128 2HG ARG 128 64.432 53.958 54.288 1001 2HG ARG 128 1HG ARG 128 65.843 53.857 55.381 1002 1HD ARG 128 2HD ARG 128 65.365 51.844 53.033 1003 2HD ARG 128 1HD ARG 128 66.210 53.451 52.772 1004 HE ARG 128 HE ARG 128 67.599 52.415 54.812 1005 1HH1 ARG 128 2HH2 ARG 128 66.601 51.004 51.674 1006 2HH1 ARG 128 1HH2 ARG 128 67.996 49.959 51.555 1007 1HH2 ARG 128 1HH1 ARG 128 69.469 50.982 54.590 1008 2HH2 ARG 128 2HH1 ARG 128 69.587 49.947 53.156 1009 H GLN 129 H GLN 129 62.244 54.783 55.369 1010 HA GLN 129 HA GLN 129 59.910 53.161 54.467 1011 1HB GLN 129 2HB GLN 129 60.242 55.999 55.274 1012 2HB GLN 129 1HB GLN 129 58.863 55.596 54.099 1013 1HG GLN 129 2HG GLN 129 58.153 55.563 56.498 1014 2HG GLN 129 1HG GLN 129 57.929 53.976 55.565 1015 1HE2 GLN 129 2HE2 GLN 129 58.158 52.692 57.411 1016 2HE2 GLN 129 1HE2 GLN 129 59.623 52.490 58.350 1017 H VAL 130 H VAL 130 60.398 52.333 52.453 1018 HA VAL 130 HA VAL 130 61.825 54.026 50.467 1019 HB VAL 130 HB VAL 130 60.828 51.092 50.429 1020 1HG1 VAL 130 1HG1 VAL 130 61.810 52.875 48.323 1021 2HG1 VAL 130 2HG1 VAL 130 61.447 51.144 48.140 1022 3HG1 VAL 130 3HG1 VAL 130 63.115 51.668 48.657 1023 1HG2 VAL 130 1HG2 VAL 130 63.315 50.645 50.642 1024 2HG2 VAL 130 2HG2 VAL 130 62.485 51.237 52.151 1025 3HG2 VAL 130 3HG2 VAL 130 63.466 52.395 51.229 1026 H PHE 131 H PHE 131 59.790 55.318 50.712 1027 HA PHE 131 HA PHE 131 57.324 54.694 49.283 1028 1HB PHE 131 2HB PHE 131 59.040 57.153 50.091 1029 2HB PHE 131 1HB PHE 131 57.566 57.362 49.013 1030 HD1 PHE 131 HD1 PHE 131 58.160 55.212 51.995 1031 HD2 PHE 131 HD2 PHE 131 55.953 58.434 50.235 1032 HE1 PHE 131 HE1 PHE 131 56.630 55.300 54.056 1033 HE2 PHE 131 HE2 PHE 131 54.505 58.532 52.179 1034 HZ PHE 131 HZ PHE 131 54.841 56.957 54.088 1035 H LYS 132 H LYS 132 56.769 56.273 47.333 1036 HA LYS 132 HA LYS 132 58.808 57.155 45.498 1037 1HB LYS 132 2HB LYS 132 58.385 55.027 43.858 1038 2HB LYS 132 1HB LYS 132 59.529 54.845 45.208 1039 1HG LYS 132 2HG LYS 132 58.313 53.237 46.174 1040 2HG LYS 132 1HG LYS 132 56.708 54.157 46.077 1041 1HD LYS 132 2HD LYS 132 57.948 53.150 43.546 1042 2HD LYS 132 1HD LYS 132 57.030 51.974 44.672 1043 1HE LYS 132 2HE LYS 132 55.142 53.684 44.572 1044 2HE LYS 132 1HE LYS 132 56.110 54.596 43.319 1045 1HZ LYS 132 1HZ LYS 132 55.495 53.039 41.814 1046 2HZ LYS 132 2HZ LYS 132 54.340 52.571 42.897 1047 3HZ LYS 132 3HZ LYS 132 55.778 51.713 42.777 1048 H LYS 133 H LYS 133 57.920 57.823 43.701 1049 HA LYS 133 HA LYS 133 55.939 57.510 42.017 1050 1HB LYS 133 2HB LYS 133 54.315 56.596 43.595 1051 2HB LYS 133 1HB LYS 133 54.534 58.080 44.610 1052 1HG LYS 133 2HG LYS 133 52.922 59.153 43.354 1053 2HG LYS 133 1HG LYS 133 53.798 58.709 41.785 1054 1HD LYS 133 2HD LYS 133 52.557 56.818 41.433 1055 2HD LYS 133 1HD LYS 133 52.135 56.669 43.221 1056 1HE LYS 133 2HE LYS 133 50.535 58.366 43.156 1057 2HE LYS 133 1HE LYS 133 51.363 59.141 41.670 1058 1HZ LYS 133 1HZ LYS 133 49.203 57.919 41.127 1059 2HZ LYS 133 2HZ LYS 133 49.916 56.518 41.692 1060 3HZ LYS 133 3HZ LYS 133 50.505 57.321 40.333 1061 H LYS 134 H LYS 134 54.613 59.952 43.898 1062 HA LYS 134 HA LYS 134 55.928 62.171 43.737 1063 1HB LYS 134 2HB LYS 134 55.947 63.237 41.529 1064 2HB LYS 134 1HB LYS 134 56.541 61.641 41.126 1065 1HG LYS 134 2HG LYS 134 53.591 62.686 40.871 1066 2HG LYS 134 1HG LYS 134 54.847 62.697 39.584 1067 1HD LYS 134 2HD LYS 134 54.816 60.020 40.615 1068 2HD LYS 134 1HD LYS 134 53.053 60.566 40.440 1069 1HE LYS 134 2HE LYS 134 54.714 61.376 38.141 1070 2HE LYS 134 1HE LYS 134 54.741 59.547 38.488 1071 1HZ LYS 134 1HZ LYS 134 52.317 59.695 38.672 1072 2HZ LYS 134 2HZ LYS 134 52.841 60.079 37.096 1073 3HZ LYS 134 3HZ LYS 134 52.294 61.255 38.129 1074 1H2 RTL 135 1H2 RET 135 48.261 51.244 57.433 1075 2H2 RTL 135 2H2 RET 135 46.835 51.727 58.218 1076 1H3 RTL 135 1H3 RET 135 47.054 49.855 59.495 1077 2H3 RTL 135 2H3 RET 135 48.626 49.543 58.990 1078 1H4 RTL 135 1H4 RET 135 48.735 49.958 61.402 1079 2H4 RTL 135 2H4 RET 135 47.805 51.388 61.256 1080 H7 RTL 135 H7 RET 135 51.780 52.825 58.877 1081 H8 RTL 135 H8 RET 135 50.011 55.198 59.856 1082 H10 RTL 135 H10 RET 135 50.798 56.647 57.697 1083 H11 RTL 135 H11 RET 135 53.673 56.989 57.440 1084 H12 RTL 135 H12 RET 135 51.917 59.381 58.359 1085 H14 RTL 135 H14 RET 135 52.727 60.759 56.178 1086 1H15 RTL 135 1H15 RET 135 55.430 61.127 55.566 1087 2H15 RTL 135 2H15 RET 135 55.190 62.107 57.041 1088 HO1 RTL 135 H51 RET 135 53.563 63.156 56.052 1089 1H16 RTL 135 1H16 RET 135 47.960 53.662 57.021 1090 2H16 RTL 135 2H16 RET 135 49.728 53.519 57.187 1091 3H16 RTL 135 3H16 RET 135 48.838 54.787 58.052 1092 1H17 RTL 135 1H17 RET 135 48.221 54.486 60.163 1093 2H17 RTL 135 2H17 RET 135 46.915 53.292 60.187 1094 3H17 RTL 135 3H17 RET 135 47.083 54.357 58.807 1095 1H18 RTL 135 1H18 RET 135 50.911 51.665 62.368 1096 2H18 RTL 135 2H18 RET 135 51.893 51.329 60.917 1097 3H18 RTL 135 3H18 RET 135 50.896 50.055 61.646 1098 1H19 RTL 135 1H19 RET 135 53.125 54.442 60.429 1099 2H19 RTL 135 2H19 RET 135 53.327 56.173 60.633 1100 3H19 RTL 135 3H19 RET 135 54.094 55.287 59.230 1101 1H20 RTL 135 1H20 RET 135 55.857 60.272 58.104 1102 2H20 RTL 135 2H20 RET 135 55.607 58.552 58.078 1103 3H20 RTL 135 3H20 RET 135 54.906 59.522 59.422 Start of MODEL 24 1 1H MET 1 1H MET 1 63.151 79.487 51.533 2 2H MET 1 2H MET 1 63.174 79.226 49.867 3 3H MET 1 3H MET 1 64.562 79.117 50.798 4 HA MET 1 HA MET 1 64.295 76.919 50.639 5 1HB MET 1 2HB MET 1 62.578 78.099 52.936 6 2HB MET 1 1HB MET 1 62.347 76.344 52.494 7 1HG MET 1 2HG MET 1 64.207 75.851 53.797 8 2HG MET 1 1HG MET 1 65.070 76.415 52.383 9 1HE MET 1 1HE MET 1 64.771 76.985 56.201 10 2HE MET 1 2HE MET 1 66.462 77.689 56.146 11 3HE MET 1 3HE MET 1 66.204 76.280 55.267 12 H THR 2 H THR 2 63.425 75.537 49.377 13 HA THR 2 HA THR 2 60.452 75.783 48.778 14 HB THR 2 HB THR 2 61.415 74.382 46.635 15 HG1 THR 2 1HG THR 2 63.563 74.740 47.406 16 1HG2 THR 2 1HG2 THR 2 61.089 76.661 45.485 17 2HG2 THR 2 2HG2 THR 2 61.736 77.509 46.892 18 3HG2 THR 2 3HG2 THR 2 60.086 76.781 46.968 19 H LYS 3 H LYS 3 59.592 73.756 47.879 20 HA LYS 3 HA LYS 3 61.064 71.292 48.646 21 1HB LYS 3 2HB LYS 3 59.805 70.622 50.583 22 2HB LYS 3 1HB LYS 3 60.553 72.233 50.940 23 1HG LYS 3 2HG LYS 3 57.649 71.979 49.892 24 2HG LYS 3 1HG LYS 3 58.119 71.731 51.595 25 1HD LYS 3 2HD LYS 3 58.731 74.305 49.894 26 2HD LYS 3 1HD LYS 3 57.469 74.098 51.152 27 1HE LYS 3 2HE LYS 3 59.491 73.461 52.718 28 2HE LYS 3 1HE LYS 3 60.520 74.209 51.361 29 1HZ LYS 3 1HZ LYS 3 58.799 75.520 53.308 30 2HZ LYS 3 2HZ LYS 3 58.534 76.053 51.778 31 3HZ LYS 3 3HZ LYS 3 60.057 76.144 52.498 32 H ASP 4 H ASP 4 57.822 72.591 47.934 33 HA ASP 4 HA ASP 4 56.055 71.549 46.690 34 1HB ASP 4 2HB ASP 4 58.101 69.371 45.834 35 2HB ASP 4 1HB ASP 4 56.657 70.039 44.939 36 H GLN 5 H GLN 5 55.508 71.052 49.134 37 HA GLN 5 HA GLN 5 55.912 68.245 49.856 38 1HB GLN 5 2HB GLN 5 54.906 70.881 50.984 39 2HB GLN 5 1HB GLN 5 53.901 69.403 51.498 40 1HG GLN 5 2HG GLN 5 56.910 69.637 51.669 41 2HG GLN 5 1HG GLN 5 55.667 69.904 53.067 42 1HE2 GLN 5 1HE2 GLN 5 54.140 68.371 53.483 43 2HE2 GLN 5 2HE2 GLN 5 54.640 66.659 53.483 44 H ASN 6 H ASN 6 53.127 70.280 49.089 45 HA ASN 6 HA ASN 6 51.025 68.482 48.851 46 1HB ASN 6 2HB ASN 6 51.712 70.439 46.552 47 2HB ASN 6 1HB ASN 6 50.084 69.739 46.992 48 1HD2 ASN 6 2HD2 ASN 6 52.578 71.869 48.042 49 2HD2 ASN 6 1HD2 ASN 6 51.438 72.845 49.217 50 H GLY 7 H GLY 7 51.658 66.387 48.434 51 1HA GLY 7 1HA GLY 7 51.532 65.642 45.569 52 2HA GLY 7 2HA GLY 7 53.130 65.418 46.332 53 H THR 8 H THR 8 52.150 63.444 45.289 54 HA THR 8 HA THR 8 50.853 61.718 47.295 55 HB THR 8 HB THR 8 51.055 61.562 44.175 56 HG1 THR 8 1HG THR 8 49.334 62.706 44.835 57 1HG2 THR 8 1HG2 THR 8 50.051 59.630 46.368 58 2HG2 THR 8 2HG2 THR 8 51.268 59.164 45.124 59 3HG2 THR 8 3HG2 THR 8 49.536 59.445 44.634 60 H TRP 9 H TRP 9 51.728 59.685 47.353 61 HA TRP 9 HA TRP 9 54.375 59.111 46.276 62 1HB TRP 9 2HB TRP 9 55.036 58.999 49.047 63 2HB TRP 9 1HB TRP 9 55.861 59.816 47.697 64 HD1 TRP 9 HD1 TRP 9 52.573 60.357 49.713 65 HE1 TRP 9 HE1 TRP 9 52.242 62.875 50.207 66 HE3 TRP 9 HE3 TRP 9 56.640 61.921 47.422 67 HZ2 TRP 9 HZ2 TRP 9 53.630 65.111 49.604 68 HZ3 TRP 9 HZ3 TRP 9 57.192 64.335 47.373 69 HH2 TRP 9 HH2 TRP 9 55.809 65.923 48.397 70 H GLU 10 H GLU 10 52.598 57.516 45.666 71 HA GLU 10 HA GLU 10 51.459 55.561 47.213 72 1HB GLU 10 2HB GLU 10 52.881 55.452 44.513 73 2HB GLU 10 1HB GLU 10 52.239 53.929 45.362 74 1HG GLU 10 2HG GLU 10 50.239 56.042 45.467 75 2HG GLU 10 1HG GLU 10 50.897 55.781 43.714 76 H MET 11 H MET 11 52.383 54.569 48.765 77 HA MET 11 HA MET 11 55.021 54.059 49.614 78 1HB MET 11 2HB MET 11 52.493 52.252 49.703 79 2HB MET 11 1HB MET 11 53.985 51.992 50.692 80 1HG MET 11 2HG MET 11 53.345 54.578 51.558 81 2HG MET 11 1HG MET 11 51.799 54.066 50.853 82 1HE MET 11 1HE MET 11 50.607 53.619 54.115 83 2HE MET 11 2HE MET 11 51.645 54.944 53.426 84 3HE MET 11 3HE MET 11 52.166 54.044 54.852 85 H GLU 12 H GLU 12 56.094 52.108 49.859 86 HA GLU 12 HA GLU 12 55.929 50.230 47.580 87 1HB GLU 12 2HB GLU 12 57.992 52.141 47.534 88 2HB GLU 12 1HB GLU 12 58.693 50.784 48.559 89 1HG GLU 12 2HG GLU 12 57.562 49.281 46.674 90 2HG GLU 12 1HG GLU 12 57.566 50.869 45.713 91 H SER 13 H SER 13 57.666 51.166 50.529 92 HA SER 13 HA SER 13 56.488 49.007 52.070 93 1HB SER 13 2HB SER 13 59.259 48.167 52.286 94 2HB SER 13 1HB SER 13 57.971 47.317 51.254 95 HG SER 13 HG SER 13 59.486 47.827 49.873 96 H ASN 14 H ASN 14 57.891 48.384 53.822 97 HA ASN 14 HA ASN 14 59.243 50.643 55.211 98 1HB ASN 14 2HB ASN 14 57.584 48.687 56.900 99 2HB ASN 14 1HB ASN 14 57.781 50.500 57.041 100 1HD2 ASN 14 2HD2 ASN 14 56.955 51.469 54.946 101 2HD2 ASN 14 1HD2 ASN 14 55.228 50.941 54.393 102 H GLU 15 H GLU 15 60.804 50.213 56.425 103 HA GLU 15 HA GLU 15 61.727 47.357 56.253 104 1HB GLU 15 2HB GLU 15 63.056 50.084 56.643 105 2HB GLU 15 1HB GLU 15 63.861 48.765 57.560 106 1HG GLU 15 2HG GLU 15 63.000 48.013 54.791 107 2HG GLU 15 1HG GLU 15 64.514 49.108 55.053 108 H ASN 16 H ASN 16 62.747 46.442 58.280 109 HA ASN 16 HA ASN 16 62.397 45.715 60.450 110 1HB ASN 16 2HB ASN 16 62.539 48.770 60.804 111 2HB ASN 16 1HB ASN 16 62.310 47.573 62.246 112 1HD2 ASN 16 1HD2 ASN 16 63.983 47.837 63.223 113 2HD2 ASN 16 2HD2 ASN 16 65.673 47.312 62.541 114 H PHE 17 H PHE 17 60.352 45.614 58.979 115 HA PHE 17 HA PHE 17 57.781 46.711 59.407 116 1HB PHE 17 2HB PHE 17 57.771 43.779 59.875 117 2HB PHE 17 1HB PHE 17 56.844 44.830 58.704 118 HD1 PHE 17 HD1 PHE 17 59.648 42.516 59.062 119 HD2 PHE 17 HD2 PHE 17 58.181 45.725 56.692 120 HE1 PHE 17 HE1 PHE 17 61.180 41.954 57.236 121 HE2 PHE 17 HE2 PHE 17 59.705 45.179 54.842 122 HZ PHE 17 HZ PHE 17 61.251 43.290 55.039 123 H GLU 18 H GLU 18 59.602 44.657 61.462 124 HA GLU 18 HA GLU 18 57.732 43.963 63.560 125 1HB GLU 18 2HB GLU 18 60.756 44.594 63.267 126 2HB GLU 18 1HB GLU 18 60.067 44.310 64.914 127 1HG GLU 18 2HG GLU 18 59.307 42.139 64.370 128 2HG GLU 18 1HG GLU 18 59.877 42.303 62.554 129 H GLY 19 H GLY 19 59.816 46.859 63.276 130 1HA GLY 19 1HA GLY 19 58.918 47.723 66.025 131 2HA GLY 19 2HA GLY 19 59.956 48.681 64.908 132 H TYR 20 H TYR 20 57.954 48.072 62.641 133 HA TYR 20 HA TYR 20 56.360 50.463 62.902 134 1HB TYR 20 2HB TYR 20 56.966 48.481 60.912 135 2HB TYR 20 1HB TYR 20 55.218 48.221 61.273 136 HD1 TYR 20 HD1 TYR 20 57.142 51.403 61.157 137 HD2 TYR 20 HD2 TYR 20 54.037 48.902 59.600 138 HE1 TYR 20 HE1 TYR 20 56.404 53.296 59.618 139 HE2 TYR 20 HE2 TYR 20 53.235 50.637 58.113 140 HH TYR 20 HH TYR 20 53.468 52.785 57.568 141 H MET 21 H MET 21 55.836 47.047 63.517 142 HA MET 21 HA MET 21 52.982 47.184 64.141 143 1HB MET 21 2HB MET 21 54.170 45.138 63.364 144 2HB MET 21 1HB MET 21 55.420 45.388 64.619 145 1HG MET 21 2HG MET 21 53.608 43.574 65.089 146 2HG MET 21 1HG MET 21 53.925 44.719 66.421 147 1HE MET 21 1HE MET 21 51.693 44.010 63.082 148 2HE MET 21 2HE MET 21 52.395 45.713 63.031 149 3HE MET 21 3HE MET 21 50.738 45.570 63.137 150 H LYS 22 H LYS 22 55.953 46.907 65.887 151 HA LYS 22 HA LYS 22 54.927 46.840 68.542 152 1HB LYS 22 2HB LYS 22 57.384 46.125 67.677 153 2HB LYS 22 1HB LYS 22 57.773 47.865 67.708 154 1HG LYS 22 2HG LYS 22 57.258 48.124 69.984 155 2HG LYS 22 1HG LYS 22 56.436 46.502 70.095 156 1HD LYS 22 2HD LYS 22 58.618 45.708 70.772 157 2HD LYS 22 1HD LYS 22 58.969 45.889 68.988 158 1HE LYS 22 2HE LYS 22 59.660 48.275 69.394 159 2HE LYS 22 1HE LYS 22 59.231 48.036 71.168 160 1HZ LYS 22 1HZ LYS 22 61.222 46.439 69.655 161 2HZ LYS 22 2HZ LYS 22 61.027 46.540 71.354 162 3HZ LYS 22 3HZ LYS 22 61.716 47.776 70.552 163 H ALA 23 H ALA 23 55.384 49.441 66.499 164 HA ALA 23 HA ALA 23 55.724 51.543 68.487 165 1HB ALA 23 1HB ALA 23 54.412 51.397 65.754 166 2HB ALA 23 2HB ALA 23 56.027 52.147 66.157 167 3HB ALA 23 3HB ALA 23 54.504 52.985 66.664 168 H LEU 24 H LEU 24 53.235 49.594 67.497 169 HA LEU 24 HA LEU 24 51.218 50.666 69.466 170 1HB LEU 24 2HB LEU 24 50.139 49.336 66.938 171 2HB LEU 24 1HB LEU 24 49.643 50.847 67.730 172 HG LEU 24 HG LEU 24 52.165 50.622 65.950 173 1HD1 LEU 24 1HD1 LEU 24 50.824 50.432 64.177 174 2HD1 LEU 24 2HD1 LEU 24 50.337 52.098 64.447 175 3HD1 LEU 24 3HD1 LEU 24 49.317 50.726 65.138 176 1HD2 LEU 24 1HD2 LEU 24 52.394 52.960 66.197 177 2HD2 LEU 24 2HD2 LEU 24 51.486 52.628 67.742 178 3HD2 LEU 24 3HD2 LEU 24 50.641 53.215 66.250 179 H ASP 25 H ASP 25 49.392 48.777 68.764 180 HA ASP 25 HA ASP 25 50.519 46.022 68.886 181 1HB ASP 25 2HB ASP 25 50.867 46.846 71.198 182 2HB ASP 25 1HB ASP 25 49.206 47.637 71.180 183 H ILE 26 H ILE 26 49.421 46.914 66.985 184 HA ILE 26 HA ILE 26 46.506 46.951 67.063 185 HB ILE 26 HB ILE 26 47.937 48.436 65.712 186 1HG1 ILE 26 2HG1 ILE 26 46.669 47.815 63.340 187 2HG1 ILE 26 1HG1 ILE 26 45.789 46.738 64.487 188 1HG2 ILE 26 1HG2 ILE 26 49.756 46.957 65.019 189 2HG2 ILE 26 2HG2 ILE 26 48.932 47.712 63.605 190 3HG2 ILE 26 3HG2 ILE 26 48.545 45.948 64.031 191 1HD1 ILE 26 1HD1 ILE 26 45.311 48.618 65.983 192 2HD1 ILE 26 2HD1 ILE 26 44.938 49.315 64.377 193 3HD1 ILE 26 3HD1 ILE 26 46.499 49.694 65.163 194 H ASP 27 H ASP 27 49.051 44.804 66.233 195 HA ASP 27 HA ASP 27 48.516 42.446 66.720 196 1HB ASP 27 2HB ASP 27 46.045 42.463 66.102 197 2HB ASP 27 1HB ASP 27 46.597 42.721 64.303 198 H PHE 28 H PHE 28 49.628 40.796 65.379 199 HA PHE 28 HA PHE 28 51.666 41.777 63.689 200 1HB PHE 28 2HB PHE 28 50.425 39.140 64.567 201 2HB PHE 28 1HB PHE 28 51.432 39.133 63.036 202 HD1 PHE 28 HD1 PHE 28 53.708 40.630 63.416 203 HD2 PHE 28 HD2 PHE 28 51.344 38.820 66.502 204 HE1 PHE 28 HE1 PHE 28 55.691 40.709 64.961 205 HE2 PHE 28 HE2 PHE 28 53.279 38.887 68.111 206 HZ PHE 28 HZ PHE 28 55.491 39.862 67.277 207 H ALA 29 H ALA 29 48.377 40.997 62.762 208 HA ALA 29 HA ALA 29 48.831 40.192 60.021 209 1HB ALA 29 1HB ALA 29 46.510 41.370 61.720 210 2HB ALA 29 2HB ALA 29 46.647 39.804 60.825 211 3HB ALA 29 3HB ALA 29 46.408 41.354 59.885 212 H THR 30 H THR 30 48.489 43.267 61.613 213 HA THR 30 HA THR 30 48.103 45.071 59.546 214 HB THR 30 HB THR 30 49.089 45.175 62.291 215 HG1 THR 30 1HG THR 30 47.455 46.387 62.270 216 1HG2 THR 30 1HG2 THR 30 49.879 47.592 61.912 217 2HG2 THR 30 2HG2 THR 30 49.877 47.231 60.120 218 3HG2 THR 30 3HG2 THR 30 51.072 46.386 61.238 219 H ARG 31 H ARG 31 51.140 44.046 60.884 220 HA ARG 31 HA ARG 31 52.852 45.583 59.128 221 1HB ARG 31 2HB ARG 31 54.210 45.266 60.848 222 2HB ARG 31 1HB ARG 31 53.132 44.024 61.511 223 1HG ARG 31 2HG ARG 31 55.054 43.225 59.168 224 2HG ARG 31 1HG ARG 31 55.684 43.434 60.847 225 1HD ARG 31 2HD ARG 31 53.603 41.868 61.436 226 2HD ARG 31 1HD ARG 31 53.639 41.422 59.666 227 HE ARG 31 HE ARG 31 56.120 41.411 61.278 228 1HH1 ARG 31 1HH1 ARG 31 53.585 39.482 59.504 229 2HH1 ARG 31 2HH1 ARG 31 54.617 38.024 59.550 230 1HH2 ARG 31 2HH2 ARG 31 57.329 39.365 61.199 231 2HH2 ARG 31 1HH2 ARG 31 56.618 37.953 60.459 232 H LYS 32 H LYS 32 51.411 42.293 59.007 233 HA LYS 32 HA LYS 32 53.286 41.354 57.027 234 1HB LYS 32 2HB LYS 32 52.036 39.746 58.429 235 2HB LYS 32 1HB LYS 32 50.478 40.512 57.841 236 1HG LYS 32 2HG LYS 32 52.067 39.529 55.551 237 2HG LYS 32 1HG LYS 32 51.938 38.227 56.734 238 1HD LYS 32 2HD LYS 32 49.610 38.136 56.767 239 2HD LYS 32 1HD LYS 32 49.475 39.883 56.313 240 1HE LYS 32 2HE LYS 32 50.618 39.243 54.009 241 2HE LYS 32 1HE LYS 32 50.181 37.522 54.442 242 1HZ LYS 32 1HZ LYS 32 47.844 38.268 54.724 243 2HZ LYS 32 2HZ LYS 32 48.437 38.407 53.171 244 3HZ LYS 32 3HZ LYS 32 48.291 39.748 54.158 245 H ILE 33 H ILE 33 50.231 43.001 57.115 246 HA ILE 33 HA ILE 33 49.831 42.857 54.193 247 HB ILE 33 HB ILE 33 48.556 44.808 56.242 248 1HG1 ILE 33 2HG1 ILE 33 47.190 42.278 55.096 249 2HG1 ILE 33 1HG1 ILE 33 48.365 42.167 56.455 250 1HG2 ILE 33 1HG2 ILE 33 46.541 44.587 54.608 251 2HG2 ILE 33 2HG2 ILE 33 47.680 43.876 53.427 252 3HG2 ILE 33 3HG2 ILE 33 47.910 45.607 53.975 253 1HD1 ILE 33 1HD1 ILE 33 46.847 44.288 57.449 254 2HD1 ILE 33 2HD1 ILE 33 46.210 42.569 57.582 255 3HD1 ILE 33 3HD1 ILE 33 45.714 43.709 56.219 256 H ALA 34 H ALA 34 50.953 45.149 56.657 257 HA ALA 34 HA ALA 34 51.480 47.415 54.839 258 1HB ALA 34 1HB ALA 34 52.618 48.374 56.797 259 2HB ALA 34 2HB ALA 34 52.983 46.700 57.425 260 3HB ALA 34 3HB ALA 34 51.341 47.344 57.545 261 H VAL 35 H VAL 35 53.065 44.481 55.777 262 HA VAL 35 HA VAL 35 55.736 45.201 55.193 263 HB VAL 35 HB VAL 35 54.213 42.665 55.624 264 1HG1 VAL 35 1HG1 VAL 35 55.009 42.062 53.373 265 2HG1 VAL 35 2HG1 VAL 35 56.038 41.161 54.553 266 3HG1 VAL 35 3HG1 VAL 35 56.679 42.654 53.801 267 1HG2 VAL 35 1HG2 VAL 35 56.013 43.838 57.178 268 2HG2 VAL 35 2HG2 VAL 35 57.190 43.144 55.974 269 3HG2 VAL 35 3HG2 VAL 35 56.054 42.042 56.943 270 H ARG 36 H ARG 36 53.098 44.342 53.279 271 HA ARG 36 HA ARG 36 54.811 44.463 50.791 272 1HB ARG 36 2HB ARG 36 52.774 43.247 49.668 273 2HB ARG 36 1HB ARG 36 54.086 42.357 50.525 274 1HG ARG 36 2HG ARG 36 52.142 41.248 51.419 275 2HG ARG 36 1HG ARG 36 52.389 42.620 52.618 276 1HD ARG 36 2HD ARG 36 50.334 43.288 52.157 277 2HD ARG 36 1HD ARG 36 51.014 43.908 50.618 278 HE ARG 36 HE ARG 36 50.257 41.015 50.646 279 1HH1 ARG 36 1HH1 ARG 36 49.303 44.308 49.759 280 2HH1 ARG 36 2HH1 ARG 36 48.108 43.769 48.610 281 1HH2 ARG 36 1HH2 ARG 36 48.640 40.317 49.075 282 2HH2 ARG 36 2HH2 ARG 36 47.701 41.544 48.193 283 H LEU 37 H LEU 37 52.026 45.845 52.473 284 HA LEU 37 HA LEU 37 50.733 46.754 50.121 285 1HB LEU 37 2HB LEU 37 51.162 47.980 52.988 286 2HB LEU 37 1HB LEU 37 50.297 48.904 51.682 287 HG LEU 37 HG LEU 37 49.312 46.884 53.461 288 1HD1 LEU 37 1HD1 LEU 37 47.133 47.742 52.493 289 2HD1 LEU 37 2HD1 LEU 37 48.087 48.392 51.105 290 3HD1 LEU 37 3HD1 LEU 37 48.358 49.092 52.766 291 1HD2 LEU 37 1HD2 LEU 37 49.876 45.244 51.431 292 2HD2 LEU 37 2HD2 LEU 37 48.813 46.323 50.437 293 3HD2 LEU 37 3HD2 LEU 37 48.092 45.395 51.799 294 H THR 38 H THR 38 50.781 48.240 48.877 295 HA THR 38 HA THR 38 53.078 50.135 48.683 296 HB THR 38 HB THR 38 52.195 49.642 46.043 297 HG1 THR 38 1HG THR 38 51.298 47.776 45.980 298 1HG2 THR 38 1HG2 THR 38 54.431 48.768 47.788 299 2HG2 THR 38 2HG2 THR 38 54.528 49.406 46.126 300 3HG2 THR 38 3HG2 THR 38 54.151 47.631 46.377 301 H GLN 39 H GLN 39 50.672 50.525 50.062 302 HA GLN 39 HA GLN 39 48.643 51.702 48.628 303 1HB GLN 39 2HB GLN 39 50.010 52.182 51.356 304 2HB GLN 39 1HB GLN 39 48.524 53.127 50.927 305 1HG GLN 39 2HG GLN 39 48.973 50.115 51.085 306 2HG GLN 39 1HG GLN 39 47.846 51.151 52.152 307 1HE2 GLN 39 1HE2 GLN 39 46.801 52.720 50.217 308 2HE2 GLN 39 2HE2 GLN 39 45.770 51.858 49.102 309 H THR 40 H THR 40 47.932 53.801 49.151 310 HA THR 40 HA THR 40 49.603 55.948 47.902 311 HB THR 40 HB THR 40 46.554 55.536 47.896 312 HG1 THR 40 1HG THR 40 46.880 54.242 46.226 313 1HG2 THR 40 1HG2 THR 40 46.543 57.646 46.757 314 2HG2 THR 40 2HG2 THR 40 47.705 57.028 45.548 315 3HG2 THR 40 3HG2 THR 40 48.329 57.706 47.111 316 H LYS 41 H LYS 41 49.989 57.586 48.900 317 HA LYS 41 HA LYS 41 47.895 58.615 50.798 318 1HB LYS 41 2HB LYS 41 49.188 58.440 52.753 319 2HB LYS 41 1HB LYS 41 50.093 57.130 51.818 320 1HG LYS 41 2HG LYS 41 51.779 58.438 52.699 321 2HG LYS 41 1HG LYS 41 51.616 59.191 51.091 322 1HD LYS 41 2HD LYS 41 50.061 60.920 52.294 323 2HD LYS 41 1HD LYS 41 50.473 60.040 53.866 324 1HE LYS 41 2HE LYS 41 52.480 61.354 51.945 325 2HE LYS 41 1HE LYS 41 51.800 62.107 53.505 326 1HZ LYS 41 1HZ LYS 41 53.110 60.707 54.719 327 2HZ LYS 41 2HZ LYS 41 54.080 60.755 53.345 328 3HZ LYS 41 3HZ LYS 41 53.111 59.460 53.591 329 H ILE 42 H ILE 42 47.832 60.869 50.959 330 HA ILE 42 HA ILE 42 50.135 62.267 49.553 331 HB ILE 42 HB ILE 42 49.003 62.102 47.617 332 1HG1 ILE 42 2HG1 ILE 42 47.164 64.195 48.937 333 2HG1 ILE 42 1HG1 ILE 42 48.797 64.540 48.251 334 1HG2 ILE 42 1HG2 ILE 42 46.499 61.729 47.426 335 2HG2 ILE 42 2HG2 ILE 42 46.360 61.823 49.189 336 3HG2 ILE 42 3HG2 ILE 42 47.285 60.477 48.385 337 1HD1 ILE 42 1HD1 ILE 42 47.674 64.865 46.243 338 2HD1 ILE 42 2HD1 ILE 42 46.206 63.983 46.844 339 3HD1 ILE 42 3HD1 ILE 42 47.623 63.059 46.179 340 H ILE 43 H ILE 43 50.651 64.017 50.322 341 HA ILE 43 HA ILE 43 49.231 65.331 52.578 342 HB ILE 43 HB ILE 43 51.747 65.967 50.989 343 1HG1 ILE 43 2HG1 ILE 43 51.868 64.192 53.546 344 2HG1 ILE 43 1HG1 ILE 43 51.646 63.428 51.930 345 1HG2 ILE 43 1HG2 ILE 43 50.831 66.465 53.881 346 2HG2 ILE 43 2HG2 ILE 43 51.420 67.667 52.628 347 3HG2 ILE 43 3HG2 ILE 43 52.610 66.545 53.402 348 1HD1 ILE 43 1HD1 ILE 43 53.981 63.548 52.016 349 2HD1 ILE 43 2HD1 ILE 43 53.974 64.875 53.271 350 3HD1 ILE 43 3HD1 ILE 43 53.721 65.295 51.551 351 H VAL 44 H VAL 44 49.196 67.645 52.660 352 HA VAL 44 HA VAL 44 49.521 69.147 50.090 353 HB VAL 44 HB VAL 44 47.362 67.834 49.837 354 1HG1 VAL 44 1HG1 VAL 44 46.706 68.282 52.356 355 2HG1 VAL 44 2HG1 VAL 44 45.464 68.194 50.986 356 3HG1 VAL 44 3HG1 VAL 44 45.994 69.802 51.665 357 1HG2 VAL 44 1HG2 VAL 44 46.068 69.637 48.822 358 2HG2 VAL 44 2HG2 VAL 44 47.818 69.999 48.609 359 3HG2 VAL 44 3HG2 VAL 44 46.845 70.931 49.815 360 H GLN 45 H GLN 45 50.318 70.912 50.695 361 HA GLN 45 HA GLN 45 48.961 72.392 52.890 362 1HB GLN 45 2HB GLN 45 51.383 72.851 53.816 363 2HB GLN 45 1HB GLN 45 50.609 71.213 54.159 364 1HG GLN 45 2HG GLN 45 51.975 70.149 52.474 365 2HG GLN 45 1HG GLN 45 52.425 71.860 51.794 366 1HE2 GLN 45 1HE2 GLN 45 52.544 69.667 54.524 367 2HE2 GLN 45 2HE2 GLN 45 54.210 70.273 55.140 368 H ASP 46 H ASP 46 49.733 74.293 53.517 369 HA ASP 46 HA ASP 46 50.836 75.812 51.166 370 1HB ASP 46 2HB ASP 46 48.266 75.798 51.928 371 2HB ASP 46 1HB ASP 46 48.831 77.017 53.202 372 H GLY 47 H GLY 47 51.614 74.827 53.981 373 1HA GLY 47 1HA GLY 47 53.706 75.659 54.998 374 2HA GLY 47 2HA GLY 47 53.114 77.406 54.701 375 H ASP 48 H ASP 48 53.862 75.326 56.923 376 HA ASP 48 HA ASP 48 53.634 75.407 59.258 377 1HB ASP 48 2HB ASP 48 52.893 77.985 58.496 378 2HB ASP 48 1HB ASP 48 51.300 77.404 59.306 379 H ASN 49 H ASN 49 51.495 74.305 57.270 380 HA ASN 49 HA ASN 49 50.090 72.656 59.283 381 1HB ASN 49 2HB ASN 49 47.755 73.332 58.595 382 2HB ASN 49 1HB ASN 49 48.741 74.838 59.078 383 1HD2 ASN 49 1HD2 ASN 49 49.688 75.965 57.422 384 2HD2 ASN 49 2HD2 ASN 49 48.824 75.968 55.734 385 H PHE 50 H PHE 50 48.669 71.030 58.215 386 HA PHE 50 HA PHE 50 48.750 70.744 55.365 387 1HB PHE 50 2HB PHE 50 50.365 69.126 54.879 388 2HB PHE 50 1HB PHE 50 51.176 70.398 55.886 389 HD1 PHE 50 HD1 PHE 50 52.378 67.785 55.598 390 HD2 PHE 50 HD2 PHE 50 49.371 69.107 58.401 391 HE1 PHE 50 HE1 PHE 50 53.110 66.019 57.314 392 HE2 PHE 50 HE2 PHE 50 50.103 67.414 60.027 393 HZ PHE 50 HZ PHE 50 51.973 65.892 59.435 394 H LYS 51 H LYS 51 48.448 68.243 54.641 395 HA LYS 51 HA LYS 51 46.758 66.893 56.588 396 1HB LYS 51 2HB LYS 51 45.563 68.979 55.233 397 2HB LYS 51 1HB LYS 51 45.127 67.550 54.166 398 1HG LYS 51 2HG LYS 51 44.531 68.033 57.204 399 2HG LYS 51 1HG LYS 51 43.354 67.774 55.867 400 1HD LYS 51 2HD LYS 51 44.813 65.504 55.652 401 2HD LYS 51 1HD LYS 51 45.197 65.878 57.407 402 1HE LYS 51 2HE LYS 51 43.198 65.181 57.982 403 2HE LYS 51 1HE LYS 51 42.338 66.272 56.757 404 1HZ LYS 51 1HZ LYS 51 42.268 64.595 55.275 405 2HZ LYS 51 2HZ LYS 51 42.192 63.594 56.633 406 3HZ LYS 51 3HZ LYS 51 43.650 63.874 55.834 407 H THR 52 H THR 52 47.346 64.945 56.417 408 HA THR 52 HA THR 52 47.548 63.878 53.562 409 HB THR 52 HB THR 52 49.767 64.402 54.387 410 HG1 THR 52 1HG THR 52 48.972 62.316 53.491 411 1HG2 THR 52 1HG2 THR 52 49.119 64.258 56.972 412 2HG2 THR 52 2HG2 THR 52 50.674 63.369 56.514 413 3HG2 THR 52 3HG2 THR 52 49.192 62.443 56.724 414 H LYS 53 H LYS 53 47.187 61.585 53.288 415 HA LYS 53 HA LYS 53 46.599 59.920 55.642 416 1HB LYS 53 2HB LYS 53 44.203 59.566 55.308 417 2HB LYS 53 1HB LYS 53 44.429 61.378 55.326 418 1HG LYS 53 2HG LYS 53 44.423 59.836 52.717 419 2HG LYS 53 1HG LYS 53 42.851 60.278 53.624 420 1HD LYS 53 2HD LYS 53 44.623 62.552 53.644 421 2HD LYS 53 1HD LYS 53 44.359 61.910 51.907 422 1HE LYS 53 2HE LYS 53 41.856 61.918 52.413 423 2HE LYS 53 1HE LYS 53 42.233 62.867 53.965 424 1HZ LYS 53 1HZ LYS 53 43.312 63.757 51.451 425 2HZ LYS 53 2HZ LYS 53 42.748 64.668 52.741 426 3HZ LYS 53 3HZ LYS 53 41.642 63.957 51.764 427 H THR 54 H THR 54 46.372 57.979 55.243 428 HA THR 54 HA THR 54 47.534 56.970 52.731 429 HB THR 54 HB THR 54 47.735 54.749 53.983 430 HG1 THR 54 1HG THR 54 46.725 54.564 55.686 431 1HG2 THR 54 1HG2 THR 54 48.978 56.492 56.024 432 2HG2 THR 54 2HG2 THR 54 49.160 57.312 54.403 433 3HG2 THR 54 3HG2 THR 54 49.838 55.696 54.634 434 H ASN 55 H ASN 55 46.848 54.904 51.839 435 HA ASN 55 HA ASN 55 43.830 54.695 51.939 436 1HB ASN 55 2HB ASN 55 45.111 55.708 49.870 437 2HB ASN 55 1HB ASN 55 44.931 53.881 49.314 438 1HD2 ASN 55 1HD2 ASN 55 42.662 53.373 50.670 439 2HD2 ASN 55 2HD2 ASN 55 41.271 54.408 49.887 440 H SER 56 H SER 56 45.956 53.112 53.311 441 HA SER 56 HA SER 56 46.078 50.423 52.261 442 1HB SER 56 2HB SER 56 47.247 50.035 54.183 443 2HB SER 56 1HB SER 56 46.969 51.854 54.515 444 HG SER 56 HG SER 56 45.037 51.332 55.507 445 H THR 57 H THR 57 45.074 48.810 52.402 446 HA THR 57 HA THR 57 42.208 48.863 52.532 447 HB THR 57 HB THR 57 43.415 46.188 53.009 448 HG1 THR 57 1HG THR 57 44.965 46.452 51.613 449 1HG2 THR 57 1HG2 THR 57 41.140 46.229 52.086 450 2HG2 THR 57 2HG2 THR 57 42.150 46.080 50.562 451 3HG2 THR 57 3HG2 THR 57 41.493 47.668 51.051 452 H PHE 58 H PHE 58 44.724 47.523 54.673 453 HA PHE 58 HA PHE 58 43.075 46.739 56.824 454 1HB PHE 58 2HB PHE 58 45.927 47.151 56.438 455 2HB PHE 58 1HB PHE 58 45.484 48.172 57.853 456 HD1 PHE 58 HD1 PHE 58 46.313 46.972 59.677 457 HD2 PHE 58 HD2 PHE 58 43.887 44.967 56.808 458 HE1 PHE 58 HE1 PHE 58 46.155 44.856 61.207 459 HE2 PHE 58 HE2 PHE 58 43.757 43.043 58.255 460 HZ PHE 58 HZ PHE 58 44.840 42.933 60.422 461 H ARG 59 H ARG 59 44.792 49.915 56.844 462 HA ARG 59 HA ARG 59 42.251 50.937 58.273 463 1HB ARG 59 2HB ARG 59 45.044 50.833 59.516 464 2HB ARG 59 1HB ARG 59 43.969 52.254 59.841 465 1HG ARG 59 2HG ARG 59 42.701 49.530 60.088 466 2HG ARG 59 1HG ARG 59 43.948 50.090 61.326 467 1HD ARG 59 2HD ARG 59 42.234 51.074 62.379 468 2HD ARG 59 1HD ARG 59 42.433 52.329 61.093 469 HE ARG 59 HE ARG 59 40.333 51.692 60.251 470 1HH1 ARG 59 2HH2 ARG 59 41.870 48.957 61.958 471 2HH1 ARG 59 1HH2 ARG 59 40.543 47.848 61.677 472 1HH2 ARG 59 2HH1 ARG 59 38.505 50.050 59.924 473 2HH2 ARG 59 1HH1 ARG 59 38.711 48.459 60.577 474 H ASN 60 H ASN 60 41.675 52.866 58.093 475 HA ASN 60 HA ASN 60 43.416 54.434 56.243 476 1HB ASN 60 2HB ASN 60 40.490 54.137 56.790 477 2HB ASN 60 1HB ASN 60 40.943 55.934 56.593 478 1HD2 ASN 60 1HD2 ASN 60 41.138 52.702 55.204 479 2HD2 ASN 60 2HD2 ASN 60 41.243 53.180 53.483 480 H TYR 61 H TYR 61 44.607 55.938 56.944 481 HA TYR 61 HA TYR 61 43.767 57.288 59.476 482 1HB TYR 61 2HB TYR 61 45.152 55.416 60.124 483 2HB TYR 61 1HB TYR 61 46.406 55.820 58.834 484 HD1 TYR 61 HD1 TYR 61 44.694 57.224 61.805 485 HD2 TYR 61 HD2 TYR 61 48.307 57.034 59.495 486 HE1 TYR 61 HE1 TYR 61 45.783 58.621 63.482 487 HE2 TYR 61 HE2 TYR 61 49.454 58.451 61.153 488 HH TYR 61 HH TYR 61 47.829 59.320 64.177 489 H ASP 62 H ASP 62 44.521 59.313 59.767 490 HA ASP 62 HA ASP 62 46.282 60.438 57.547 491 1HB ASP 62 2HB ASP 62 44.905 62.580 57.864 492 2HB ASP 62 1HB ASP 62 43.957 61.080 57.265 493 H LEU 63 H LEU 63 47.183 62.547 57.990 494 HA LEU 63 HA LEU 63 48.208 62.681 60.844 495 1HB LEU 63 2HB LEU 63 49.625 61.967 58.571 496 2HB LEU 63 1HB LEU 63 50.038 63.763 58.700 497 HG LEU 63 HG LEU 63 51.688 62.440 59.946 498 1HD1 LEU 63 1HD1 LEU 63 51.168 64.694 60.855 499 2HD1 LEU 63 2HD1 LEU 63 51.334 63.494 62.207 500 3HD1 LEU 63 3HD1 LEU 63 49.720 64.072 61.698 501 1HD2 LEU 63 1HD2 LEU 63 49.547 60.743 60.292 502 2HD2 LEU 63 2HD2 LEU 63 49.515 61.590 61.897 503 3HD2 LEU 63 3HD2 LEU 63 51.048 60.721 61.390 504 H ASP 64 H ASP 64 45.957 64.138 60.220 505 HA ASP 64 HA ASP 64 46.522 66.796 59.302 506 1HB ASP 64 2HB ASP 64 44.235 66.397 59.642 507 2HB ASP 64 1HB ASP 64 44.564 65.404 61.198 508 H PHE 65 H PHE 65 47.797 68.425 60.238 509 HA PHE 65 HA PHE 65 47.874 68.968 63.008 510 1HB PHE 65 2HB PHE 65 49.258 67.255 63.718 511 2HB PHE 65 1HB PHE 65 49.744 66.866 62.029 512 HD1 PHE 65 HD1 PHE 65 51.630 68.324 61.048 513 HD2 PHE 65 HD2 PHE 65 50.370 68.444 65.163 514 HE1 PHE 65 HE1 PHE 65 53.727 69.372 61.619 515 HE2 PHE 65 HE2 PHE 65 52.560 69.540 65.781 516 HZ PHE 65 HZ PHE 65 54.233 70.014 64.079 517 H THR 66 H THR 66 49.048 70.698 63.475 518 HA THR 66 HA THR 66 49.753 72.506 61.212 519 HB THR 66 HB THR 66 49.847 73.020 64.205 520 HG1 THR 66 1HG THR 66 47.660 72.393 62.663 521 1HG2 THR 66 1HG2 THR 66 50.170 74.981 62.461 522 2HG2 THR 66 2HG2 THR 66 48.580 75.149 63.364 523 3HG2 THR 66 3HG2 THR 66 48.567 74.525 61.704 524 H VAL 67 H VAL 67 51.807 72.657 60.552 525 HA VAL 67 HA VAL 67 53.947 71.366 62.010 526 HB VAL 67 HB VAL 67 54.204 73.659 60.051 527 1HG1 VAL 67 1HG1 VAL 67 56.346 73.159 60.958 528 2HG1 VAL 67 2HG1 VAL 67 56.313 71.995 59.554 529 3HG1 VAL 67 3HG1 VAL 67 55.897 71.397 61.238 530 1HG2 VAL 67 1HG2 VAL 67 54.540 71.600 58.365 531 2HG2 VAL 67 2HG2 VAL 67 52.858 72.018 58.855 532 3HG2 VAL 67 3HG2 VAL 67 53.754 70.669 59.717 533 H GLY 68 H GLY 68 55.290 71.879 63.467 534 1HA GLY 68 1HA GLY 68 56.538 73.188 64.885 535 2HA GLY 68 2HA GLY 68 55.956 74.680 63.973 536 H VAL 69 H VAL 69 53.208 73.018 64.827 537 HA VAL 69 HA VAL 69 53.119 74.394 67.535 538 HB VAL 69 HB VAL 69 51.218 74.105 65.130 539 1HG1 VAL 69 1HG1 VAL 69 49.645 73.430 66.635 540 2HG1 VAL 69 2HG1 VAL 69 49.410 75.177 66.907 541 3HG1 VAL 69 3HG1 VAL 69 50.530 74.275 68.031 542 1HG2 VAL 69 1HG2 VAL 69 50.646 76.511 65.454 543 2HG2 VAL 69 2HG2 VAL 69 52.359 76.238 65.044 544 3HG2 VAL 69 3HG2 VAL 69 51.909 76.655 66.759 545 H GLU 70 H GLU 70 53.582 72.856 68.659 546 HA GLU 70 HA GLU 70 52.987 70.149 68.148 547 1HB GLU 70 2HB GLU 70 52.915 69.842 70.738 548 2HB GLU 70 1HB GLU 70 54.481 70.366 69.873 549 1HG GLU 70 2HG GLU 70 54.042 71.456 72.048 550 2HG GLU 70 1HG GLU 70 54.278 72.608 70.562 551 H PHE 71 H PHE 71 51.672 68.672 68.604 552 HA PHE 71 HA PHE 71 48.947 69.596 69.534 553 1HB PHE 71 2HB PHE 71 49.378 69.475 66.868 554 2HB PHE 71 1HB PHE 71 48.948 67.738 67.170 555 HD1 PHE 71 HD1 PHE 71 46.880 67.427 68.791 556 HD2 PHE 71 HD2 PHE 71 47.721 70.947 66.543 557 HE1 PHE 71 HE1 PHE 71 44.456 68.117 68.920 558 HE2 PHE 71 HE2 PHE 71 45.329 71.684 66.643 559 HZ PHE 71 HZ PHE 71 43.681 70.187 67.886 560 H ASP 72 H ASP 72 48.361 68.366 71.117 561 HA ASP 72 HA ASP 72 49.303 65.711 71.655 562 1HB ASP 72 2HB ASP 72 48.520 67.348 73.318 563 2HB ASP 72 1HB ASP 72 46.767 67.102 72.703 564 H GLU 73 H GLU 73 48.674 64.895 69.322 565 HA GLU 73 HA GLU 73 45.771 64.216 68.863 566 1HB GLU 73 2HB GLU 73 48.392 64.446 67.437 567 2HB GLU 73 1HB GLU 73 47.309 63.092 66.879 568 1HG GLU 73 2HG GLU 73 45.406 64.909 67.036 569 2HG GLU 73 1HG GLU 73 46.851 66.119 66.932 570 H HIS 74 H HIS 74 45.874 62.007 67.683 571 HA HIS 74 HA HIS 74 47.599 60.017 68.963 572 1HB HIS 74 2HB HIS 74 45.758 58.899 70.282 573 2HB HIS 74 1HB HIS 74 46.102 60.618 70.848 574 HD1 HIS 74 HD1 HIS 74 44.369 62.528 69.950 575 HD2 HIS 74 HD2 HIS 74 43.374 58.452 69.474 576 HE1 HIS 74 HE1 HIS 74 41.846 62.409 69.424 577 HE2 HIS 74 HE2 HIS 74 41.208 60.021 69.130 578 H THR 75 H THR 75 46.404 57.686 68.853 579 HA THR 75 HA THR 75 45.363 57.417 66.080 580 HB THR 75 HB THR 75 46.778 55.543 65.795 581 HG1 THR 75 1HG THR 75 47.181 54.298 67.361 582 1HG2 THR 75 1HG2 THR 75 49.095 56.380 66.626 583 2HG2 THR 75 2HG2 THR 75 48.313 57.441 67.823 584 3HG2 THR 75 3HG2 THR 75 48.122 57.828 66.074 585 H LYS 76 H LYS 76 43.534 57.647 67.776 586 HA LYS 76 HA LYS 76 42.716 54.993 68.899 587 1HB LYS 76 2HB LYS 76 41.355 57.730 69.048 588 2HB LYS 76 1HB LYS 76 40.529 56.144 69.520 589 1HG LYS 76 2HG LYS 76 42.176 55.507 71.120 590 2HG LYS 76 1HG LYS 76 43.295 56.847 70.629 591 1HD LYS 76 2HD LYS 76 42.029 57.238 72.798 592 2HD LYS 76 1HD LYS 76 41.768 58.508 71.521 593 1HE LYS 76 2HE LYS 76 39.500 57.836 71.192 594 2HE LYS 76 1HE LYS 76 39.955 56.087 71.401 595 1HZ LYS 76 1HZ LYS 76 39.831 56.291 73.672 596 2HZ LYS 76 2HZ LYS 76 38.451 57.110 73.146 597 3HZ LYS 76 3HZ LYS 76 39.820 57.923 73.733 598 H GLY 77 H GLY 77 42.731 56.085 66.003 599 1HA GLY 77 1HA GLY 77 40.053 54.953 65.249 600 2HA GLY 77 2HA GLY 77 41.149 55.837 64.066 601 H LEU 78 H LEU 78 42.859 53.941 66.061 602 HA LEU 78 HA LEU 78 43.059 51.582 64.223 603 1HB LEU 78 2HB LEU 78 44.972 53.803 64.748 604 2HB LEU 78 1HB LEU 78 45.689 52.183 65.097 605 HG LEU 78 HG LEU 78 44.059 52.286 62.575 606 1HD1 LEU 78 1HD1 LEU 78 45.795 53.607 61.331 607 2HD1 LEU 78 2HD1 LEU 78 46.201 54.351 62.973 608 3HD1 LEU 78 3HD1 LEU 78 44.535 54.531 62.223 609 1HD2 LEU 78 1HD2 LEU 78 45.734 50.790 61.984 610 2HD2 LEU 78 2HD2 LEU 78 46.379 50.970 63.652 611 3HD2 LEU 78 3HD2 LEU 78 47.064 51.991 62.326 612 H ASP 79 H ASP 79 44.910 52.810 67.013 613 HA ASP 79 HA ASP 79 44.158 50.272 68.487 614 1HB ASP 79 2HB ASP 79 46.610 50.684 67.500 615 2HB ASP 79 1HB ASP 79 46.806 51.601 69.102 616 H GLY 80 H GLY 80 45.381 53.613 68.770 617 1HA GLY 80 1HA GLY 80 44.361 55.280 69.955 618 2HA GLY 80 2HA GLY 80 43.746 54.032 71.217 619 H ARG 81 H ARG 81 46.543 55.412 69.614 620 HA ARG 81 HA ARG 81 48.005 55.406 72.237 621 1HB ARG 81 2HB ARG 81 48.922 54.900 69.351 622 2HB ARG 81 1HB ARG 81 50.068 55.829 70.412 623 1HG ARG 81 2HG ARG 81 50.705 53.596 70.961 624 2HG ARG 81 1HG ARG 81 49.490 53.949 72.201 625 1HD ARG 81 2HD ARG 81 48.448 52.969 69.503 626 2HD ARG 81 1HD ARG 81 49.542 51.809 70.322 627 HE ARG 81 HE ARG 81 46.826 52.585 71.091 628 1HH1 ARG 81 2HH2 ARG 81 49.969 51.095 72.089 629 2HH1 ARG 81 1HH2 ARG 81 49.273 50.164 73.408 630 1HH2 ARG 81 1HH1 ARG 81 45.871 51.345 72.860 631 2HH2 ARG 81 2HH1 ARG 81 46.865 50.318 73.843 632 H ASN 82 H ASN 82 47.679 57.207 73.232 633 HA ASN 82 HA ASN 82 47.494 59.667 71.824 634 1HB ASN 82 2HB ASN 82 47.944 60.694 74.203 635 2HB ASN 82 1HB ASN 82 46.412 59.651 73.970 636 1HD2 ASN 82 1HD2 ASN 82 49.778 59.838 75.066 637 2HD2 ASN 82 2HD2 ASN 82 49.686 58.545 76.227 638 H VAL 83 H VAL 83 48.727 61.039 71.111 639 HA VAL 83 HA VAL 83 51.602 61.113 72.059 640 HB VAL 83 HB VAL 83 52.392 61.199 69.869 641 1HG1 VAL 83 1HG1 VAL 83 52.358 58.905 69.423 642 2HG1 VAL 83 2HG1 VAL 83 50.549 58.827 69.450 643 3HG1 VAL 83 3HG1 VAL 83 51.498 58.915 70.987 644 1HG2 VAL 83 1HG2 VAL 83 50.485 62.354 68.745 645 2HG2 VAL 83 2HG2 VAL 83 49.377 60.982 69.163 646 3HG2 VAL 83 3HG2 VAL 83 50.703 60.731 67.898 647 H LYS 84 H LYS 84 52.825 62.758 71.401 648 HA LYS 84 HA LYS 84 51.387 65.366 71.023 649 1HB LYS 84 2HB LYS 84 53.897 65.085 72.782 650 2HB LYS 84 1HB LYS 84 52.743 66.467 72.569 651 1HG LYS 84 2HG LYS 84 51.658 65.569 74.432 652 2HG LYS 84 1HG LYS 84 50.980 64.420 73.139 653 1HD LYS 84 2HD LYS 84 52.593 62.749 73.595 654 2HD LYS 84 1HD LYS 84 53.640 63.867 74.550 655 1HE LYS 84 2HE LYS 84 50.773 63.612 75.552 656 2HE LYS 84 1HE LYS 84 51.761 62.062 75.664 657 1HZ LYS 84 1HZ LYS 84 52.865 64.697 76.575 658 2HZ LYS 84 2HZ LYS 84 53.297 63.131 77.008 659 3HZ LYS 84 3HZ LYS 84 51.868 63.770 77.539 660 H THR 85 H THR 85 51.680 64.992 68.912 661 HA THR 85 HA THR 85 54.090 64.820 67.432 662 HB THR 85 HB THR 85 51.581 66.464 66.816 663 HG1 THR 85 1HG THR 85 51.853 63.721 66.832 664 1HG2 THR 85 1HG2 THR 85 51.921 65.346 64.529 665 2HG2 THR 85 2HG2 THR 85 53.023 64.143 65.230 666 3HG2 THR 85 3HG2 THR 85 53.558 65.892 64.979 667 H LEU 86 H LEU 86 55.588 65.915 66.812 668 HA LEU 86 HA LEU 86 55.461 68.849 66.875 669 1HB LEU 86 2HB LEU 86 56.616 67.945 69.065 670 2HB LEU 86 1HB LEU 86 58.010 67.531 67.896 671 HG LEU 86 HG LEU 86 57.140 70.300 67.445 672 1HD1 LEU 86 1HD1 LEU 86 58.113 69.434 70.223 673 2HD1 LEU 86 2HD1 LEU 86 56.587 70.370 69.863 674 3HD1 LEU 86 3HD1 LEU 86 58.152 71.153 69.529 675 1HD2 LEU 86 1HD2 LEU 86 59.307 68.921 66.821 676 2HD2 LEU 86 2HD2 LEU 86 59.747 69.225 68.593 677 3HD2 LEU 86 3HD2 LEU 86 59.499 70.602 67.426 678 H VAL 87 H VAL 87 55.872 69.449 64.904 679 HA VAL 87 HA VAL 87 57.984 68.033 63.357 680 HB VAL 87 HB VAL 87 55.423 69.571 62.442 681 1HG1 VAL 87 1HG1 VAL 87 57.814 68.787 60.952 682 2HG1 VAL 87 2HG1 VAL 87 56.275 69.465 60.398 683 3HG1 VAL 87 3HG1 VAL 87 56.440 67.654 60.489 684 1HG2 VAL 87 1HG2 VAL 87 54.705 67.225 61.670 685 2HG2 VAL 87 2HG2 VAL 87 54.642 67.466 63.460 686 3HG2 VAL 87 3HG2 VAL 87 56.023 66.571 62.645 687 H THR 88 H THR 88 59.345 69.054 62.208 688 HA THR 88 HA THR 88 59.519 71.982 62.133 689 HB THR 88 HB THR 88 61.899 71.790 63.083 690 HG1 THR 88 1HG THR 88 62.726 69.993 62.867 691 1HG2 THR 88 1HG2 THR 88 60.024 69.977 64.827 692 2HG2 THR 88 2HG2 THR 88 59.728 71.724 64.839 693 3HG2 THR 88 3HG2 THR 88 61.363 71.061 65.408 694 H TRP 89 H TRP 89 60.271 72.609 60.251 695 HA TRP 89 HA TRP 89 61.041 70.743 58.096 696 1HB TRP 89 2HB TRP 89 61.225 73.847 58.526 697 2HB TRP 89 1HB TRP 89 61.764 73.050 57.009 698 HD1 TRP 89 HD1 TRP 89 58.676 73.709 59.306 699 HE1 TRP 89 HE1 TRP 89 56.624 73.241 57.924 700 HE3 TRP 89 HE3 TRP 89 60.963 71.892 55.266 701 HZ2 TRP 89 HZ2 TRP 89 56.029 72.126 55.209 702 HZ3 TRP 89 HZ3 TRP 89 59.701 71.156 53.352 703 HH2 TRP 89 HH2 TRP 89 57.277 71.265 53.325 704 H GLU 90 H GLU 90 63.045 70.428 57.134 705 HA GLU 90 HA GLU 90 65.242 71.498 58.810 706 1HB GLU 90 2HB GLU 90 64.064 68.862 59.148 707 2HB GLU 90 1HB GLU 90 65.767 68.689 58.517 708 1HG GLU 90 2HG GLU 90 64.751 70.224 61.060 709 2HG GLU 90 1HG GLU 90 65.757 68.648 60.990 710 H GLY 91 H GLY 91 64.282 71.564 56.050 711 1HA GLY 91 1HA GLY 91 65.608 72.235 54.156 712 2HA GLY 91 2HA GLY 91 66.878 70.982 54.624 713 H ASN 92 H ASN 92 63.817 71.786 53.399 714 HA ASN 92 HA ASN 92 62.086 70.860 52.268 715 1HB ASN 92 2HB ASN 92 63.172 68.694 50.706 716 2HB ASN 92 1HB ASN 92 62.968 70.493 50.246 717 1HD2 ASN 92 1HD2 ASN 92 64.492 71.876 51.051 718 2HD2 ASN 92 2HD2 ASN 92 66.225 71.463 50.987 719 H THR 93 H THR 93 62.687 69.871 54.830 720 HA THR 93 HA THR 93 61.452 67.108 54.714 721 HB THR 93 HB THR 93 63.079 67.951 57.132 722 HG1 THR 93 1HG THR 93 64.032 68.357 54.911 723 1HG2 THR 93 1HG2 THR 93 62.227 65.576 57.121 724 2HG2 THR 93 2HG2 THR 93 63.959 65.494 56.644 725 3HG2 THR 93 3HG2 THR 93 62.652 65.372 55.394 726 H LEU 94 H LEU 94 61.223 67.159 57.676 727 HA LEU 94 HA LEU 94 59.700 69.063 58.828 728 1HB LEU 94 2HB LEU 94 57.305 68.321 58.482 729 2HB LEU 94 1HB LEU 94 58.072 69.259 57.095 730 HG LEU 94 HG LEU 94 58.757 66.585 56.676 731 1HD1 LEU 94 1HD1 LEU 94 56.822 65.199 56.985 732 2HD1 LEU 94 2HD1 LEU 94 55.753 66.609 56.624 733 3HD1 LEU 94 3HD1 LEU 94 56.433 66.475 58.284 734 1HD2 LEU 94 1HD2 LEU 94 56.645 67.057 54.918 735 2HD2 LEU 94 2HD2 LEU 94 58.378 67.582 54.684 736 3HD2 LEU 94 3HD2 LEU 94 57.080 68.726 55.335 737 H VAL 95 H VAL 95 61.343 67.476 59.751 738 HA VAL 95 HA VAL 95 60.835 64.935 60.563 739 HB VAL 95 HB VAL 95 62.037 67.326 62.081 740 1HG1 VAL 95 1HG1 VAL 95 61.681 64.961 63.447 741 2HG1 VAL 95 2HG1 VAL 95 63.237 65.891 63.622 742 3HG1 VAL 95 3HG1 VAL 95 63.077 64.516 62.458 743 1HG2 VAL 95 1HG2 VAL 95 64.119 65.553 61.196 744 2HG2 VAL 95 2HG2 VAL 95 63.684 67.173 60.475 745 3HG2 VAL 95 3HG2 VAL 95 62.953 65.697 59.746 746 H CYS 96 H CYS 96 59.026 64.289 61.431 747 HA CYS 96 HA CYS 96 57.681 65.648 63.663 748 1HB CYS 96 2HB CYS 96 56.598 64.340 61.598 749 2HB CYS 96 1HB CYS 96 56.942 62.833 62.467 750 HG CYS 96 HG CYS 96 54.536 64.833 62.876 751 H VAL 97 H VAL 97 57.280 64.423 65.612 752 HA VAL 97 HA VAL 97 58.815 62.053 66.296 753 HB VAL 97 HB VAL 97 59.771 63.809 68.196 754 1HG1 VAL 97 1HG1 VAL 97 61.380 62.239 67.538 755 2HG1 VAL 97 2HG1 VAL 97 61.935 63.556 66.345 756 3HG1 VAL 97 3HG1 VAL 97 60.827 62.255 65.833 757 1HG2 VAL 97 1HG2 VAL 97 60.851 65.624 67.052 758 2HG2 VAL 97 2HG2 VAL 97 59.062 65.688 66.784 759 3HG2 VAL 97 3HG2 VAL 97 60.228 65.113 65.436 760 H GLN 98 H GLN 98 57.068 61.186 66.994 761 HA GLN 98 HA GLN 98 55.160 62.556 68.799 762 1HB GLN 98 2HB GLN 98 55.490 59.830 67.499 763 2HB GLN 98 1HB GLN 98 54.456 59.873 69.027 764 1HG GLN 98 2HG GLN 98 52.822 61.307 67.956 765 2HG GLN 98 1HG GLN 98 54.047 61.957 66.798 766 1HE2 GLN 98 1HE2 GLN 98 51.913 61.498 65.778 767 2HE2 GLN 98 2HE2 GLN 98 51.785 59.956 64.856 768 H LYS 99 H LYS 99 54.550 62.170 70.675 769 HA LYS 99 HA LYS 99 56.661 60.966 72.482 770 1HB LYS 99 2HB LYS 99 54.756 63.189 73.173 771 2HB LYS 99 1HB LYS 99 56.274 62.719 74.051 772 1HG LYS 99 2HG LYS 99 56.155 63.867 71.184 773 2HG LYS 99 1HG LYS 99 56.507 64.909 72.578 774 1HD LYS 99 2HD LYS 99 58.567 63.406 73.011 775 2HD LYS 99 1HD LYS 99 58.111 62.474 71.481 776 1HE LYS 99 2HE LYS 99 59.467 64.047 70.550 777 2HE LYS 99 1HE LYS 99 57.902 64.963 70.551 778 1HZ LYS 99 1HZ LYS 99 59.472 65.310 72.979 779 2HZ LYS 99 2HZ LYS 99 58.604 66.393 72.061 780 3HZ LYS 99 3HZ LYS 99 60.140 65.963 71.601 781 H GLY 100 H GLY 100 55.372 61.178 74.837 782 1HA GLY 100 1HA GLY 100 53.276 60.605 76.025 783 2HA GLY 100 2HA GLY 100 52.638 59.866 74.501 784 H GLU 101 H GLU 101 53.365 58.096 73.816 785 HA GLU 101 HA GLU 101 54.570 56.216 75.865 786 1HB GLU 101 2HB GLU 101 52.044 56.121 74.676 787 2HB GLU 101 1HB GLU 101 53.007 55.135 73.533 788 1HG GLU 101 2HG GLU 101 53.423 53.458 75.063 789 2HG GLU 101 1HG GLU 101 53.435 54.599 76.499 790 H LYS 102 H LYS 102 55.220 57.882 73.061 791 HA LYS 102 HA LYS 102 56.878 55.696 71.820 792 1HB LYS 102 2HB LYS 102 55.475 58.251 71.005 793 2HB LYS 102 1HB LYS 102 57.023 57.842 70.125 794 1HG LYS 102 2HG LYS 102 55.452 56.733 68.792 795 2HG LYS 102 1HG LYS 102 55.896 55.423 69.975 796 1HD LYS 102 2HD LYS 102 53.824 55.842 71.258 797 2HD LYS 102 1HD LYS 102 53.440 57.314 70.278 798 1HE LYS 102 2HE LYS 102 53.853 54.606 68.905 799 2HE LYS 102 1HE LYS 102 52.335 54.984 69.792 800 1HZ LYS 102 1HZ LYS 102 53.063 57.251 68.194 801 2HZ LYS 102 2HZ LYS 102 51.787 56.230 68.030 802 3HZ LYS 102 3HZ LYS 102 53.200 55.885 67.226 803 H GLU 103 H GLU 103 57.019 59.125 72.202 804 HA GLU 103 HA GLU 103 58.553 60.679 72.564 805 1HB GLU 103 2HB GLU 103 60.656 59.000 73.957 806 2HB GLU 103 1HB GLU 103 59.683 60.488 74.466 807 1HG GLU 103 2HG GLU 103 57.703 59.113 74.874 808 2HG GLU 103 1HG GLU 103 58.746 57.599 74.625 809 H ASN 104 H ASN 104 59.098 58.435 70.443 810 HA ASN 104 HA ASN 104 61.225 59.917 69.264 811 1HB ASN 104 2HB ASN 104 62.413 58.598 71.103 812 2HB ASN 104 1HB ASN 104 61.920 56.998 70.306 813 1HD2 ASN 104 2HD2 ASN 104 63.968 56.403 70.100 814 2HD2 ASN 104 1HD2 ASN 104 65.069 57.194 68.779 815 H ARG 105 H ARG 105 58.856 59.434 68.276 816 HA ARG 105 HA ARG 105 59.379 57.349 66.261 817 1HB ARG 105 2HB ARG 105 57.504 56.432 67.852 818 2HB ARG 105 1HB ARG 105 56.585 57.921 67.410 819 1HG ARG 105 2HG ARG 105 56.810 57.281 64.975 820 2HG ARG 105 1HG ARG 105 57.660 55.742 65.518 821 1HD ARG 105 2HD ARG 105 55.530 55.223 66.902 822 2HD ARG 105 1HD ARG 105 54.740 56.574 65.928 823 HE ARG 105 HE ARG 105 55.660 53.900 65.082 824 1HH1 ARG 105 2HH2 ARG 105 54.732 57.166 64.109 825 2HH1 ARG 105 1HH2 ARG 105 54.294 56.849 62.436 826 1HH2 ARG 105 2HH1 ARG 105 55.122 53.316 62.863 827 2HH2 ARG 105 1HH1 ARG 105 54.539 54.603 61.758 828 H GLY 106 H GLY 106 60.014 58.471 64.768 829 1HA GLY 106 1HA GLY 106 58.131 60.676 63.729 830 2HA GLY 106 2HA GLY 106 59.922 60.814 63.830 831 H TRP 107 H TRP 107 58.840 61.451 61.739 832 HA TRP 107 HA TRP 107 59.902 59.493 59.742 833 1HB TRP 107 2HB TRP 107 57.945 60.895 58.259 834 2HB TRP 107 1HB TRP 107 57.945 59.171 58.707 835 HD1 TRP 107 HD1 TRP 107 56.837 58.812 61.344 836 HE1 TRP 107 HE1 TRP 107 54.864 60.000 62.463 837 HE3 TRP 107 HE3 TRP 107 56.754 62.831 58.406 838 HZ2 TRP 107 HZ2 TRP 107 53.555 62.361 62.024 839 HZ3 TRP 107 HZ3 TRP 107 55.109 64.590 58.759 840 HH2 TRP 107 HH2 TRP 107 53.508 64.285 60.634 841 H LYS 108 H LYS 108 61.377 60.150 58.644 842 HA LYS 108 HA LYS 108 61.917 63.014 58.057 843 1HB LYS 108 2HB LYS 108 63.610 60.419 57.705 844 2HB LYS 108 1HB LYS 108 64.252 62.168 57.623 845 1HG LYS 108 2HG LYS 108 63.355 62.309 60.093 846 2HG LYS 108 1HG LYS 108 63.241 60.493 59.986 847 1HD LYS 108 2HD LYS 108 65.519 60.174 60.049 848 2HD LYS 108 1HD LYS 108 65.872 61.633 59.065 849 1HE LYS 108 2HE LYS 108 66.557 62.638 61.029 850 2HE LYS 108 1HE LYS 108 64.799 62.624 61.547 851 1HZ LYS 108 1HZ LYS 108 67.011 60.967 62.399 852 2HZ LYS 108 2HZ LYS 108 65.563 60.177 62.132 853 3HZ LYS 108 3HZ LYS 108 65.639 61.406 63.257 854 H GLN 109 H GLN 109 60.075 62.742 56.901 855 HA GLN 109 HA GLN 109 60.240 61.284 54.322 856 1HB GLN 109 2HB GLN 109 58.212 61.946 55.751 857 2HB GLN 109 1HB GLN 109 58.333 63.598 54.937 858 1HG GLN 109 2HG GLN 109 57.812 62.548 52.792 859 2HG GLN 109 1HG GLN 109 58.424 60.889 53.449 860 1HE2 GLN 109 2HE2 GLN 109 56.320 63.339 54.920 861 2HE2 GLN 109 1HE2 GLN 109 54.830 62.227 54.909 862 H TRP 110 H TRP 110 62.664 62.815 54.296 863 HA TRP 110 HA TRP 110 61.862 65.382 53.108 864 1HB TRP 110 2HB TRP 110 64.008 65.931 53.377 865 2HB TRP 110 1HB TRP 110 64.048 64.376 54.394 866 HD1 TRP 110 HD1 TRP 110 64.866 65.817 51.054 867 HE1 TRP 110 HE1 TRP 110 66.565 64.142 49.851 868 HE3 TRP 110 HE3 TRP 110 64.576 62.324 54.412 869 HZ2 TRP 110 HZ2 TRP 110 67.509 61.499 50.592 870 HZ3 TRP 110 HZ3 TRP 110 65.847 60.178 54.262 871 HH2 TRP 110 HH2 TRP 110 67.242 59.787 52.439 872 H VAL 111 H VAL 111 61.495 65.764 50.943 873 HA VAL 111 HA VAL 111 61.262 63.374 49.215 874 HB VAL 111 HB VAL 111 60.663 66.380 48.962 875 1HG1 VAL 111 1HG1 VAL 111 59.766 64.149 47.028 876 2HG1 VAL 111 2HG1 VAL 111 60.918 65.531 46.675 877 3HG1 VAL 111 3HG1 VAL 111 59.185 65.861 47.018 878 1HG2 VAL 111 1HG2 VAL 111 58.285 65.583 49.378 879 2HG2 VAL 111 2HG2 VAL 111 59.416 65.055 50.679 880 3HG2 VAL 111 3HG2 VAL 111 58.897 63.873 49.381 881 H GLU 112 H GLU 112 61.839 63.048 47.225 882 HA GLU 112 HA GLU 112 63.948 64.692 46.076 883 1HB GLU 112 2HB GLU 112 64.121 61.706 46.610 884 2HB GLU 112 1HB GLU 112 65.155 62.502 45.337 885 1HG GLU 112 2HG GLU 112 64.895 63.594 48.168 886 2HG GLU 112 1HG GLU 112 66.026 62.108 47.788 887 H GLY 113 H GLY 113 64.335 63.143 43.724 888 1HA GLY 113 1HA GLY 113 61.746 63.620 42.427 889 2HA GLY 113 2HA GLY 113 63.244 63.064 41.589 890 H ASP 114 H ASP 114 60.166 62.315 42.454 891 HA ASP 114 HA ASP 114 58.884 60.424 42.599 892 1HB ASP 114 2HB ASP 114 60.910 59.677 40.360 893 2HB ASP 114 1HB ASP 114 59.244 58.896 40.607 894 H LYS 115 H LYS 115 61.155 60.322 44.475 895 HA LYS 115 HA LYS 115 60.869 57.628 45.438 896 1HB LYS 115 2HB LYS 115 62.696 57.629 43.352 897 2HB LYS 115 1HB LYS 115 63.785 58.185 44.651 898 1HG LYS 115 2HG LYS 115 63.959 56.097 45.517 899 2HG LYS 115 1HG LYS 115 62.156 56.076 45.800 900 1HD LYS 115 2HD LYS 115 62.150 55.655 43.132 901 2HD LYS 115 1HD LYS 115 63.880 55.144 43.421 902 1HE LYS 115 2HE LYS 115 62.756 53.925 45.540 903 2HE LYS 115 1HE LYS 115 61.261 54.039 44.535 904 1HZ LYS 115 1HZ LYS 115 62.498 52.803 42.770 905 2HZ LYS 115 2HZ LYS 115 62.559 51.903 44.224 906 3HZ LYS 115 3HZ LYS 115 63.874 52.762 43.716 907 H LEU 116 H LEU 116 60.378 58.537 47.343 908 HA LEU 116 HA LEU 116 62.637 60.258 48.487 909 1HB LEU 116 2HB LEU 116 61.093 61.278 49.974 910 2HB LEU 116 1HB LEU 116 60.454 61.480 48.307 911 HG LEU 116 HG LEU 116 59.437 58.997 49.205 912 1HD1 LEU 116 1HD1 LEU 116 58.501 59.378 51.500 913 2HD1 LEU 116 2HD1 LEU 116 58.851 61.148 51.370 914 3HD1 LEU 116 3HD1 LEU 116 60.190 59.895 51.575 915 1HD2 LEU 116 1HD2 LEU 116 57.863 59.983 48.032 916 2HD2 LEU 116 2HD2 LEU 116 58.287 61.707 48.543 917 3HD2 LEU 116 3HD2 LEU 116 57.229 60.631 49.559 918 H TYR 117 H TYR 117 63.464 60.070 50.258 919 HA TYR 117 HA TYR 117 63.023 57.315 51.349 920 1HB TYR 117 2HB TYR 117 65.344 59.232 51.180 921 2HB TYR 117 1HB TYR 117 65.280 58.308 52.696 922 HD1 TYR 117 HD1 TYR 117 67.193 58.052 49.914 923 HD2 TYR 117 HD2 TYR 117 64.064 55.703 51.792 924 HE1 TYR 117 HE1 TYR 117 68.008 55.936 48.855 925 HE2 TYR 117 HE2 TYR 117 64.915 53.673 50.730 926 HH TYR 117 HH TYR 117 66.401 53.232 48.480 927 H LEU 118 H LEU 118 61.241 57.651 52.242 928 HA LEU 118 HA LEU 118 61.053 59.502 54.586 929 1HB LEU 118 2HB LEU 118 59.053 59.053 53.578 930 2HB LEU 118 1HB LEU 118 59.262 57.243 53.509 931 HG LEU 118 HG LEU 118 59.064 57.330 56.173 932 1HD1 LEU 118 1HD1 LEU 118 57.672 59.631 56.433 933 2HD1 LEU 118 2HD1 LEU 118 59.040 60.208 55.427 934 3HD1 LEU 118 3HD1 LEU 118 59.362 59.328 57.032 935 1HD2 LEU 118 1HD2 LEU 118 56.640 57.289 56.006 936 2HD2 LEU 118 2HD2 LEU 118 57.108 57.155 54.236 937 3HD2 LEU 118 3HD2 LEU 118 56.677 58.759 54.948 938 H GLU 119 H GLU 119 62.701 59.204 56.114 939 HA GLU 119 HA GLU 119 63.316 56.399 56.940 940 1HB GLU 119 2HB GLU 119 64.562 58.827 58.371 941 2HB GLU 119 1HB GLU 119 65.129 57.166 58.053 942 1HG GLU 119 2HG GLU 119 64.741 57.874 55.440 943 2HG GLU 119 1HG GLU 119 65.137 59.508 56.188 944 H LEU 120 H LEU 120 62.624 55.467 58.723 945 HA LEU 120 HA LEU 120 60.656 57.199 60.256 946 1HB LEU 120 2HB LEU 120 60.567 54.446 59.233 947 2HB LEU 120 1HB LEU 120 60.241 54.510 61.036 948 HG LEU 120 HG LEU 120 58.388 54.839 58.969 949 1HD1 LEU 120 1HD1 LEU 120 58.049 54.380 61.481 950 2HD1 LEU 120 2HD1 LEU 120 56.801 55.416 60.663 951 3HD1 LEU 120 3HD1 LEU 120 57.985 56.195 61.771 952 1HD2 LEU 120 1HD2 LEU 120 57.494 57.119 59.002 953 2HD2 LEU 120 2HD2 LEU 120 59.218 57.210 58.529 954 3HD2 LEU 120 3HD2 LEU 120 58.706 57.590 60.255 955 H THR 121 H THR 121 60.348 56.379 62.420 956 HA THR 121 HA THR 121 62.813 55.407 63.848 957 HB THR 121 HB THR 121 62.707 57.573 65.367 958 HG1 THR 121 1HG THR 121 61.878 59.299 64.350 959 1HG2 THR 121 1HG2 THR 121 63.586 58.128 62.431 960 2HG2 THR 121 2HG2 THR 121 64.324 56.760 63.337 961 3HG2 THR 121 3HG2 THR 121 64.534 58.484 63.910 962 H CYS 122 H CYS 122 62.205 54.605 66.029 963 HA CYS 122 HA CYS 122 59.539 55.103 67.111 964 1HB CYS 122 2HB CYS 122 58.482 53.828 65.403 965 2HB CYS 122 1HB CYS 122 60.032 53.104 64.881 966 HG CYS 122 HG CYS 122 57.833 52.044 66.992 967 H GLY 123 H GLY 123 59.169 54.176 68.799 968 1HA GLY 123 1HA GLY 123 59.895 53.523 71.013 969 2HA GLY 123 2HA GLY 123 59.611 51.985 70.126 970 H ASP 124 H ASP 124 62.071 54.329 69.586 971 HA ASP 124 HA ASP 124 64.347 54.283 69.313 972 1HB ASP 124 2HB ASP 124 64.140 52.606 71.907 973 2HB ASP 124 1HB ASP 124 65.661 53.456 71.270 974 H GLN 125 H GLN 125 64.033 52.972 67.503 975 HA GLN 125 HA GLN 125 65.887 50.717 67.870 976 1HB GLN 125 2HB GLN 125 63.588 49.649 68.375 977 2HB GLN 125 1HB GLN 125 63.025 50.044 66.742 978 1HG GLN 125 2HG GLN 125 65.605 48.580 66.536 979 2HG GLN 125 1HG GLN 125 64.290 47.756 67.567 980 1HE2 GLN 125 1HE2 GLN 125 63.302 46.344 66.305 981 2HE2 GLN 125 2HE2 GLN 125 62.523 46.785 64.670 982 H VAL 126 H VAL 126 63.513 52.025 65.882 983 HA VAL 126 HA VAL 126 63.801 53.576 64.310 984 HB VAL 126 HB VAL 126 66.544 52.316 63.546 985 1HG1 VAL 126 1HG1 VAL 126 64.855 54.797 62.742 986 2HG1 VAL 126 2HG1 VAL 126 65.512 53.517 61.617 987 3HG1 VAL 126 3HG1 VAL 126 66.606 54.710 62.482 988 1HG2 VAL 126 1HG2 VAL 126 65.536 53.953 65.729 989 2HG2 VAL 126 2HG2 VAL 126 66.315 55.095 64.618 990 3HG2 VAL 126 3HG2 VAL 126 67.291 53.701 65.282 991 H CYS 127 H CYS 127 62.882 53.531 62.020 992 HA CYS 127 HA CYS 127 63.302 50.907 60.552 993 1HB CYS 127 2HB CYS 127 60.588 51.897 60.128 994 2HB CYS 127 1HB CYS 127 61.082 50.287 60.777 995 HG CYS 127 HG CYS 127 60.236 50.641 62.966 996 H ARG 128 H ARG 128 62.867 51.105 58.321 997 HA ARG 128 HA ARG 128 63.175 54.035 57.453 998 1HB ARG 128 2HB ARG 128 65.176 52.669 57.164 999 2HB ARG 128 1HB ARG 128 64.235 51.517 56.049 1000 1HG ARG 128 2HG ARG 128 63.689 53.317 54.509 1001 2HG ARG 128 1HG ARG 128 64.648 54.502 55.457 1002 1HD ARG 128 2HD ARG 128 66.228 52.061 55.068 1003 2HD ARG 128 1HD ARG 128 65.461 52.426 53.447 1004 HE ARG 128 HE ARG 128 66.591 54.823 54.553 1005 1HH1 ARG 128 2HH2 ARG 128 67.360 51.741 52.861 1006 2HH1 ARG 128 1HH2 ARG 128 68.761 52.412 52.074 1007 1HH2 ARG 128 2HH1 ARG 128 68.601 55.618 53.401 1008 2HH2 ARG 128 1HH1 ARG 128 69.436 54.472 52.362 1009 H GLN 129 H GLN 129 61.800 54.805 55.994 1010 HA GLN 129 HA GLN 129 59.901 52.772 54.739 1011 1HB GLN 129 2HB GLN 129 59.226 54.936 56.288 1012 2HB GLN 129 1HB GLN 129 59.340 55.698 54.599 1013 1HG GLN 129 2HG GLN 129 57.220 55.153 54.434 1014 2HG GLN 129 1HG GLN 129 58.003 53.538 53.893 1015 1HE2 GLN 129 2HE2 GLN 129 58.807 52.512 56.317 1016 2HE2 GLN 129 1HE2 GLN 129 57.445 52.362 57.450 1017 H VAL 130 H VAL 130 59.676 52.401 52.722 1018 HA VAL 130 HA VAL 130 61.362 54.055 50.824 1019 HB VAL 130 HB VAL 130 60.219 51.220 50.301 1020 1HG1 VAL 130 1HG1 VAL 130 62.244 51.139 48.814 1021 2HG1 VAL 130 2HG1 VAL 130 62.483 52.926 49.069 1022 3HG1 VAL 130 3HG1 VAL 130 60.982 52.266 48.277 1023 1HG2 VAL 130 1HG2 VAL 130 62.594 50.397 50.644 1024 2HG2 VAL 130 2HG2 VAL 130 61.637 50.757 52.143 1025 3HG2 VAL 130 3HG2 VAL 130 62.878 51.921 51.686 1026 H PHE 131 H PHE 131 60.118 55.455 50.283 1027 HA PHE 131 HA PHE 131 57.376 54.895 49.205 1028 1HB PHE 131 2HB PHE 131 58.927 57.286 50.429 1029 2HB PHE 131 1HB PHE 131 57.719 57.623 49.104 1030 HD1 PHE 131 HD1 PHE 131 57.329 54.888 51.692 1031 HD2 PHE 131 HD2 PHE 131 56.304 58.839 50.454 1032 HE1 PHE 131 HE1 PHE 131 55.521 54.950 53.394 1033 HE2 PHE 131 HE2 PHE 131 54.519 58.902 52.122 1034 HZ PHE 131 HZ PHE 131 54.138 56.912 53.618 1035 H LYS 132 H LYS 132 56.713 56.104 47.314 1036 HA LYS 132 HA LYS 132 58.857 56.929 45.392 1037 1HB LYS 132 2HB LYS 132 56.522 54.877 44.916 1038 2HB LYS 132 1HB LYS 132 57.724 55.415 43.716 1039 1HG LYS 132 2HG LYS 132 59.501 54.513 45.445 1040 2HG LYS 132 1HG LYS 132 58.115 53.527 46.141 1041 1HD LYS 132 2HD LYS 132 59.329 53.376 43.366 1042 2HD LYS 132 1HD LYS 132 58.860 52.001 44.467 1043 1HE LYS 132 2HE LYS 132 56.404 52.912 44.159 1044 2HE LYS 132 1HE LYS 132 57.060 53.749 42.730 1045 1HZ LYS 132 1HZ LYS 132 57.256 50.788 43.264 1046 2HZ LYS 132 2HZ LYS 132 57.835 51.596 41.933 1047 3HZ LYS 132 3HZ LYS 132 56.189 51.521 42.231 1048 H LYS 133 H LYS 133 57.673 57.674 43.527 1049 HA LYS 133 HA LYS 133 55.957 58.828 42.368 1050 1HB LYS 133 2HB LYS 133 54.378 57.533 44.422 1051 2HB LYS 133 1HB LYS 133 53.980 59.308 44.388 1052 1HG LYS 133 2HG LYS 133 54.207 58.401 41.636 1053 2HG LYS 133 1HG LYS 133 53.058 57.325 42.635 1054 1HD LYS 133 2HD LYS 133 52.450 59.979 43.312 1055 2HD LYS 133 1HD LYS 133 52.566 59.907 41.515 1056 1HE LYS 133 2HE LYS 133 51.122 57.862 43.247 1057 2HE LYS 133 1HE LYS 133 50.264 59.264 42.389 1058 1HZ LYS 133 1HZ LYS 133 50.782 58.436 40.295 1059 2HZ LYS 133 2HZ LYS 133 50.269 57.087 41.088 1060 3HZ LYS 133 3HZ LYS 133 51.922 57.393 40.868 1061 H LYS 134 H LYS 134 54.205 60.743 43.196 1062 HA LYS 134 HA LYS 134 55.829 62.693 44.676 1063 1HB LYS 134 2HB LYS 134 56.281 64.103 42.599 1064 2HB LYS 134 1HB LYS 134 56.918 62.427 42.336 1065 1HG LYS 134 2HG LYS 134 54.109 63.272 41.331 1066 2HG LYS 134 1HG LYS 134 55.623 63.508 40.360 1067 1HD LYS 134 2HD LYS 134 55.860 60.911 41.346 1068 2HD LYS 134 1HD LYS 134 54.081 61.066 40.928 1069 1HE LYS 134 2HE LYS 134 55.738 62.309 38.830 1070 2HE LYS 134 1HE LYS 134 56.035 60.495 39.057 1071 1HZ LYS 134 1HZ LYS 134 53.441 60.582 39.199 1072 2HZ LYS 134 2HZ LYS 134 54.144 60.616 37.669 1073 3HZ LYS 134 3HZ LYS 134 53.587 61.996 38.300 1074 1H2 RTL 135 1H2 RET 135 48.116 50.451 57.150 1075 2H2 RTL 135 2H2 RET 135 46.608 50.682 57.833 1076 1H3 RTL 135 1H3 RET 135 46.962 48.770 59.085 1077 2H3 RTL 135 2H3 RET 135 48.534 48.688 58.477 1078 1H4 RTL 135 1H4 RET 135 48.769 48.803 60.836 1079 2H4 RTL 135 2H4 RET 135 47.656 50.098 61.057 1080 H7 RTL 135 H7 RET 135 51.267 52.380 58.745 1081 H8 RTL 135 H8 RET 135 49.294 54.379 60.099 1082 H10 RTL 135 H10 RET 135 49.731 56.192 58.142 1083 H11 RTL 135 H11 RET 135 52.496 56.918 57.644 1084 H12 RTL 135 H12 RET 135 50.627 58.955 59.057 1085 H14 RTL 135 H14 RET 135 50.953 60.688 56.972 1086 1H15 RTL 135 1H15 RET 135 53.101 62.390 57.772 1087 2H15 RTL 135 2H15 RET 135 52.281 62.348 56.165 1088 HO1 RTL 135 H51 RET 135 54.659 61.296 57.025 1089 1H16 RTL 135 1H16 RET 135 47.430 52.929 56.991 1090 2H16 RTL 135 2H16 RET 135 49.147 53.028 57.191 1091 3H16 RTL 135 3H16 RET 135 48.137 54.018 58.215 1092 1H17 RTL 135 1H17 RET 135 46.473 52.021 60.198 1093 2H17 RTL 135 2H17 RET 135 46.394 53.183 58.852 1094 3H17 RTL 135 3H17 RET 135 47.532 53.454 60.158 1095 1H18 RTL 135 1H18 RET 135 50.827 49.159 61.247 1096 2H18 RTL 135 2H18 RET 135 50.663 50.692 62.097 1097 3H18 RTL 135 3H18 RET 135 51.627 50.530 60.562 1098 1H19 RTL 135 1H19 RET 135 52.458 54.240 60.730 1099 2H19 RTL 135 2H19 RET 135 52.840 55.914 60.336 1100 3H19 RTL 135 3H19 RET 135 53.201 54.602 59.191 1101 1H20 RTL 135 1H20 RET 135 54.162 60.367 59.121 1102 2H20 RTL 135 2H20 RET 135 54.444 59.182 57.847 1103 3H20 RTL 135 3H20 RET 135 53.731 58.651 59.397 Start of MODEL 25 1 1H MET 1 1H MET 1 63.128 73.984 41.903 2 2H MET 1 2H MET 1 62.015 73.053 41.096 3 3H MET 1 3H MET 1 63.399 72.345 41.812 4 HA MET 1 HA MET 1 61.057 73.457 43.295 5 1HB MET 1 2HB MET 1 62.298 70.663 42.816 6 2HB MET 1 1HB MET 1 61.361 71.080 44.308 7 1HG MET 1 2HG MET 1 59.550 70.465 43.035 8 2HG MET 1 1HG MET 1 59.597 72.126 42.515 9 1HE MET 1 1HE MET 1 58.263 70.027 41.368 10 2HE MET 1 2HE MET 1 59.031 68.595 40.581 11 3HE MET 1 3HE MET 1 58.491 69.883 39.575 12 H THR 2 H THR 2 61.213 73.861 45.268 13 HA THR 2 HA THR 2 63.989 73.937 46.465 14 HB THR 2 HB THR 2 62.556 75.424 48.253 15 HG1 THR 2 1HG THR 2 61.067 76.534 46.584 16 1HG2 THR 2 1HG2 THR 2 64.440 76.476 46.804 17 2HG2 THR 2 2HG2 THR 2 63.012 77.509 46.769 18 3HG2 THR 2 3HG2 THR 2 63.378 76.457 45.345 19 H LYS 3 H LYS 3 60.649 74.074 47.780 20 HA LYS 3 HA LYS 3 61.158 71.450 49.021 21 1HB LYS 3 2HB LYS 3 60.888 72.396 51.398 22 2HB LYS 3 1HB LYS 3 62.521 72.623 50.576 23 1HG LYS 3 2HG LYS 3 62.274 74.781 51.137 24 2HG LYS 3 1HG LYS 3 60.974 74.860 49.850 25 1HD LYS 3 2HD LYS 3 59.422 73.823 51.831 26 2HD LYS 3 1HD LYS 3 60.726 74.576 52.846 27 1HE LYS 3 2HE LYS 3 58.704 75.843 50.906 28 2HE LYS 3 1HE LYS 3 59.077 76.283 52.637 29 1HZ LYS 3 1HZ LYS 3 61.454 76.704 51.539 30 2HZ LYS 3 2HZ LYS 3 60.269 77.878 51.447 31 3HZ LYS 3 3HZ LYS 3 60.576 76.855 50.153 32 H ASP 4 H ASP 4 59.040 72.896 47.454 33 HA ASP 4 HA ASP 4 56.640 73.137 49.035 34 1HB ASP 4 2HB ASP 4 57.106 72.555 46.022 35 2HB ASP 4 1HB ASP 4 55.477 72.377 46.806 36 H GLN 5 H GLN 5 56.110 71.425 50.450 37 HA GLN 5 HA GLN 5 56.915 68.656 49.923 38 1HB GLN 5 2HB GLN 5 54.983 70.278 51.715 39 2HB GLN 5 1HB GLN 5 55.036 68.469 51.888 40 1HG GLN 5 2HG GLN 5 57.342 70.435 52.224 41 2HG GLN 5 1HG GLN 5 56.598 69.322 53.553 42 1HE2 GLN 5 2HE2 GLN 5 59.163 69.695 51.787 43 2HE2 GLN 5 1HE2 GLN 5 59.687 68.034 51.531 44 H ASN 6 H ASN 6 53.877 70.290 50.079 45 HA ASN 6 HA ASN 6 51.858 68.699 49.372 46 1HB ASN 6 2HB ASN 6 51.844 70.554 47.024 47 2HB ASN 6 1HB ASN 6 50.770 70.629 48.494 48 1HD2 ASN 6 1HD2 ASN 6 50.994 71.976 49.906 49 2HD2 ASN 6 2HD2 ASN 6 52.431 73.202 49.965 50 H GLY 7 H GLY 7 51.926 66.848 48.595 51 1HA GLY 7 1HA GLY 7 52.284 66.653 45.599 52 2HA GLY 7 2HA GLY 7 53.450 65.779 46.668 53 H THR 8 H THR 8 52.864 63.901 46.014 54 HA THR 8 HA THR 8 50.717 62.568 47.466 55 HB THR 8 HB THR 8 50.816 62.130 44.371 56 HG1 THR 8 1HG THR 8 49.437 63.931 45.945 57 1HG2 THR 8 1HG2 THR 8 49.631 60.262 45.505 58 2HG2 THR 8 2HG2 THR 8 48.247 61.452 45.418 59 3HG2 THR 8 3HG2 THR 8 49.202 61.278 46.930 60 H TRP 9 H TRP 9 51.013 60.332 47.267 61 HA TRP 9 HA TRP 9 53.328 59.139 46.175 62 1HB TRP 9 2HB TRP 9 54.611 59.061 48.586 63 2HB TRP 9 1HB TRP 9 55.081 60.188 47.246 64 HD1 TRP 9 HD1 TRP 9 52.006 60.508 49.586 65 HE1 TRP 9 HE1 TRP 9 51.889 62.727 50.723 66 HE3 TRP 9 HE3 TRP 9 56.310 62.165 47.914 67 HZ2 TRP 9 HZ2 TRP 9 53.511 64.923 50.808 68 HZ3 TRP 9 HZ3 TRP 9 57.055 64.410 48.536 69 HH2 TRP 9 HH2 TRP 9 55.757 65.807 49.937 70 H GLU 10 H GLU 10 52.184 57.316 45.841 71 HA GLU 10 HA GLU 10 51.058 55.874 48.067 72 1HB GLU 10 2HB GLU 10 52.159 55.012 45.272 73 2HB GLU 10 1HB GLU 10 51.180 53.913 46.405 74 1HG GLU 10 2HG GLU 10 49.472 55.995 46.311 75 2HG GLU 10 1HG GLU 10 50.377 56.306 44.750 76 H MET 11 H MET 11 52.102 54.531 49.466 77 HA MET 11 HA MET 11 55.106 54.387 49.511 78 1HB MET 11 2HB MET 11 52.867 52.755 50.925 79 2HB MET 11 1HB MET 11 54.604 52.924 51.452 80 1HG MET 11 2HG MET 11 54.088 55.509 51.612 81 2HG MET 11 1HG MET 11 52.388 55.075 51.415 82 1HE MET 11 1HE MET 11 52.315 55.776 55.234 83 2HE MET 11 2HE MET 11 51.047 55.107 54.108 84 3HE MET 11 3HE MET 11 52.076 56.446 53.592 85 H GLU 12 H GLU 12 56.357 52.676 49.399 86 HA GLU 12 HA GLU 12 55.462 50.530 47.471 87 1HB GLU 12 2HB GLU 12 58.130 51.936 47.869 88 2HB GLU 12 1HB GLU 12 58.160 50.121 47.704 89 1HG GLU 12 2HG GLU 12 56.593 50.464 45.653 90 2HG GLU 12 1HG GLU 12 56.862 52.277 45.967 91 H SER 13 H SER 13 57.577 51.215 50.201 92 HA SER 13 HA SER 13 56.392 49.031 51.818 93 1HB SER 13 2HB SER 13 59.298 48.833 50.675 94 2HB SER 13 1HB SER 13 58.506 47.685 51.936 95 HG SER 13 HG SER 13 58.225 47.935 49.261 96 H ASN 14 H ASN 14 57.948 48.614 53.580 97 HA ASN 14 HA ASN 14 59.518 50.863 54.682 98 1HB ASN 14 2HB ASN 14 57.605 49.239 56.541 99 2HB ASN 14 1HB ASN 14 58.115 51.022 56.603 100 1HD2 ASN 14 2HD2 ASN 14 55.860 48.774 55.793 101 2HD2 ASN 14 1HD2 ASN 14 54.710 49.890 54.810 102 H GLU 15 H GLU 15 60.901 50.328 56.326 103 HA GLU 15 HA GLU 15 61.553 47.422 55.937 104 1HB GLU 15 2HB GLU 15 63.255 49.703 57.265 105 2HB GLU 15 1HB GLU 15 63.820 48.040 56.820 106 1HG GLU 15 2HG GLU 15 62.976 48.417 54.460 107 2HG GLU 15 1HG GLU 15 62.882 50.221 54.975 108 H ASN 16 H ASN 16 62.899 46.791 58.062 109 HA ASN 16 HA ASN 16 62.485 45.694 59.985 110 1HB ASN 16 2HB ASN 16 62.543 48.671 60.767 111 2HB ASN 16 1HB ASN 16 62.533 47.224 61.989 112 1HD2 ASN 16 2HD2 ASN 16 64.359 46.973 62.660 113 2HD2 ASN 16 1HD2 ASN 16 65.976 46.891 61.635 114 H PHE 17 H PHE 17 60.266 45.672 58.737 115 HA PHE 17 HA PHE 17 57.810 46.828 59.479 116 1HB PHE 17 2HB PHE 17 57.583 43.840 59.716 117 2HB PHE 17 1HB PHE 17 56.738 45.058 58.654 118 HD1 PHE 17 HD1 PHE 17 59.795 43.047 59.130 119 HD2 PHE 17 HD2 PHE 17 57.526 45.427 56.345 120 HE1 PHE 17 HE1 PHE 17 61.215 42.332 57.258 121 HE2 PHE 17 HE2 PHE 17 58.959 44.674 54.510 122 HZ PHE 17 HZ PHE 17 60.854 43.103 54.901 123 H GLU 18 H GLU 18 59.709 44.615 61.359 124 HA GLU 18 HA GLU 18 57.998 43.927 63.549 125 1HB GLU 18 2HB GLU 18 61.036 44.635 63.163 126 2HB GLU 18 1HB GLU 18 60.379 44.106 64.733 127 1HG GLU 18 2HG GLU 18 59.506 41.998 63.619 128 2HG GLU 18 1HG GLU 18 60.594 42.441 62.153 129 H GLY 19 H GLY 19 60.026 46.887 63.204 130 1HA GLY 19 1HA GLY 19 59.318 47.650 65.986 131 2HA GLY 19 2HA GLY 19 60.189 48.695 64.756 132 H TYR 20 H TYR 20 58.019 48.031 62.729 133 HA TYR 20 HA TYR 20 56.346 50.397 63.199 134 1HB TYR 20 2HB TYR 20 56.834 48.416 61.132 135 2HB TYR 20 1HB TYR 20 55.164 48.103 61.662 136 HD1 TYR 20 HD1 TYR 20 56.717 51.389 61.545 137 HD2 TYR 20 HD2 TYR 20 53.917 48.657 59.906 138 HE1 TYR 20 HE1 TYR 20 55.717 53.272 60.083 139 HE2 TYR 20 HE2 TYR 20 52.912 50.377 58.482 140 HH TYR 20 HH TYR 20 53.296 52.444 57.655 141 H MET 21 H MET 21 55.944 46.864 63.759 142 HA MET 21 HA MET 21 53.240 47.196 64.864 143 1HB MET 21 2HB MET 21 54.316 45.117 63.567 144 2HB MET 21 1HB MET 21 55.411 45.026 65.004 145 1HG MET 21 2HG MET 21 52.749 45.196 66.015 146 2HG MET 21 1HG MET 21 52.616 44.021 64.688 147 1HE MET 21 1HE MET 21 56.262 43.090 65.285 148 2HE MET 21 2HE MET 21 54.844 42.792 64.157 149 3HE MET 21 3HE MET 21 55.437 41.496 65.102 150 H LYS 22 H LYS 22 56.460 47.392 65.858 151 HA LYS 22 HA LYS 22 55.715 46.893 68.646 152 1HB LYS 22 2HB LYS 22 58.159 46.286 67.498 153 2HB LYS 22 1HB LYS 22 58.440 48.076 67.751 154 1HG LYS 22 2HG LYS 22 57.222 46.809 70.113 155 2HG LYS 22 1HG LYS 22 58.870 46.151 69.700 156 1HD LYS 22 2HD LYS 22 58.472 49.145 69.501 157 2HD LYS 22 1HD LYS 22 58.592 48.454 71.187 158 1HE LYS 22 2HE LYS 22 60.767 47.360 70.637 159 2HE LYS 22 1HE LYS 22 60.566 47.868 68.906 160 1HZ LYS 22 1HZ LYS 22 60.350 50.122 70.495 161 2HZ LYS 22 2HZ LYS 22 61.619 49.694 69.452 162 3HZ LYS 22 3HZ LYS 22 61.713 49.296 71.044 163 H ALA 23 H ALA 23 55.783 49.374 66.647 164 HA ALA 23 HA ALA 23 56.159 51.481 68.685 165 1HB ALA 23 1HB ALA 23 54.729 51.523 65.993 166 2HB ALA 23 2HB ALA 23 56.420 52.154 66.288 167 3HB ALA 23 3HB ALA 23 54.915 52.980 67.009 168 H LEU 24 H LEU 24 53.785 49.523 67.463 169 HA LEU 24 HA LEU 24 51.839 49.726 69.618 170 1HB LEU 24 2HB LEU 24 50.012 50.430 67.918 171 2HB LEU 24 1HB LEU 24 51.149 51.799 68.325 172 HG LEU 24 HG LEU 24 52.296 50.220 66.134 173 1HD1 LEU 24 1HD1 LEU 24 50.636 49.702 64.813 174 2HD1 LEU 24 2HD1 LEU 24 50.005 51.374 64.779 175 3HD1 LEU 24 3HD1 LEU 24 49.445 50.225 66.078 176 1HD2 LEU 24 1HD2 LEU 24 51.209 53.107 66.180 177 2HD2 LEU 24 2HD2 LEU 24 52.311 52.379 64.938 178 3HD2 LEU 24 3HD2 LEU 24 52.861 52.548 66.691 179 H ASP 25 H ASP 25 51.671 47.778 69.781 180 HA ASP 25 HA ASP 25 51.687 45.797 67.609 181 1HB ASP 25 2HB ASP 25 51.057 45.391 70.586 182 2HB ASP 25 1HB ASP 25 51.876 44.292 69.327 183 H ILE 26 H ILE 26 50.102 46.591 66.426 184 HA ILE 26 HA ILE 26 47.353 46.723 67.329 185 HB ILE 26 HB ILE 26 48.524 45.996 64.581 186 1HG1 ILE 26 2HG1 ILE 26 49.135 48.289 65.944 187 2HG1 ILE 26 1HG1 ILE 26 49.220 48.035 64.166 188 1HG2 ILE 26 1HG2 ILE 26 46.346 47.216 63.706 189 2HG2 ILE 26 2HG2 ILE 26 45.821 47.209 65.440 190 3HG2 ILE 26 3HG2 ILE 26 46.179 45.628 64.552 191 1HD1 ILE 26 1HD1 ILE 26 46.986 49.044 63.788 192 2HD1 ILE 26 2HD1 ILE 26 47.840 50.144 64.918 193 3HD1 ILE 26 3HD1 ILE 26 46.633 49.030 65.590 194 H ASP 27 H ASP 27 49.277 44.479 65.482 195 HA ASP 27 HA ASP 27 48.653 42.070 66.746 196 1HB ASP 27 2HB ASP 27 46.360 42.981 65.261 197 2HB ASP 27 1HB ASP 27 47.120 41.493 64.404 198 H PHE 28 H PHE 28 49.021 40.139 65.111 199 HA PHE 28 HA PHE 28 51.549 40.752 63.775 200 1HB PHE 28 2HB PHE 28 51.451 38.239 63.291 201 2HB PHE 28 1HB PHE 28 50.949 38.589 65.022 202 HD1 PHE 28 HD1 PHE 28 49.594 37.906 61.539 203 HD2 PHE 28 HD2 PHE 28 48.933 38.043 65.812 204 HE1 PHE 28 HE1 PHE 28 47.348 36.752 61.231 205 HE2 PHE 28 HE2 PHE 28 46.751 36.907 65.493 206 HZ PHE 28 HZ PHE 28 45.962 36.273 63.254 207 H ALA 29 H ALA 29 48.306 40.704 62.816 208 HA ALA 29 HA ALA 29 48.790 40.167 59.900 209 1HB ALA 29 1HB ALA 29 46.409 40.946 59.731 210 2HB ALA 29 2HB ALA 29 46.517 41.589 61.440 211 3HB ALA 29 3HB ALA 29 46.521 39.788 61.139 212 H THR 30 H THR 30 48.442 42.909 62.006 213 HA THR 30 HA THR 30 48.182 44.997 60.179 214 HB THR 30 HB THR 30 49.615 45.047 62.885 215 HG1 THR 30 1HG THR 30 47.587 44.244 63.089 216 1HG2 THR 30 1HG2 THR 30 49.836 47.277 62.057 217 2HG2 THR 30 2HG2 THR 30 48.143 47.404 62.684 218 3HG2 THR 30 3HG2 THR 30 48.413 47.088 60.913 219 H ARG 31 H ARG 31 51.132 43.470 61.345 220 HA ARG 31 HA ARG 31 52.927 45.372 59.976 221 1HB ARG 31 2HB ARG 31 54.392 44.731 61.556 222 2HB ARG 31 1HB ARG 31 53.216 43.562 62.175 223 1HG ARG 31 2HG ARG 31 55.015 42.774 59.734 224 2HG ARG 31 1HG ARG 31 55.563 42.691 61.490 225 1HD ARG 31 2HD ARG 31 53.086 41.475 61.648 226 2HD ARG 31 1HD ARG 31 53.564 41.050 59.937 227 HE ARG 31 HE ARG 31 55.773 40.717 61.647 228 1HH1 ARG 31 2HH1 ARG 31 52.535 39.401 61.066 229 2HH1 ARG 31 1HH1 ARG 31 52.935 37.734 61.632 230 1HH2 ARG 31 2HH2 ARG 31 56.263 38.540 62.397 231 2HH2 ARG 31 1HH2 ARG 31 55.057 37.238 62.386 232 H LYS 32 H LYS 32 51.647 42.066 59.434 233 HA LYS 32 HA LYS 32 53.412 41.558 57.209 234 1HB LYS 32 2HB LYS 32 52.605 39.715 58.358 235 2HB LYS 32 1HB LYS 32 50.931 40.330 58.393 236 1HG LYS 32 2HG LYS 32 50.877 40.107 55.753 237 2HG LYS 32 1HG LYS 32 52.450 39.265 55.850 238 1HD LYS 32 2HD LYS 32 51.355 37.334 56.238 239 2HD LYS 32 1HD LYS 32 51.178 37.965 57.887 240 1HE LYS 32 2HE LYS 32 48.990 39.079 57.317 241 2HE LYS 32 1HE LYS 32 49.071 38.312 55.651 242 1HZ LYS 32 1HZ LYS 32 49.352 36.751 58.150 243 2HZ LYS 32 2HZ LYS 32 49.055 36.165 56.632 244 3HZ LYS 32 3HZ LYS 32 47.879 37.036 57.490 245 H ILE 33 H ILE 33 50.464 43.134 57.883 246 HA ILE 33 HA ILE 33 49.395 43.133 55.184 247 HB ILE 33 HB ILE 33 48.611 44.439 57.819 248 1HG1 ILE 33 2HG1 ILE 33 46.438 43.703 57.378 249 2HG1 ILE 33 1HG1 ILE 33 46.711 43.665 55.556 250 1HG2 ILE 33 1HG2 ILE 33 48.721 46.485 56.519 251 2HG2 ILE 33 2HG2 ILE 33 47.013 45.955 56.696 252 3HG2 ILE 33 3HG2 ILE 33 47.821 45.746 55.117 253 1HD1 ILE 33 1HD1 ILE 33 47.112 41.506 57.613 254 2HD1 ILE 33 2HD1 ILE 33 48.601 41.807 56.645 255 3HD1 ILE 33 3HD1 ILE 33 46.997 41.370 55.854 256 H ALA 34 H ALA 34 50.897 45.413 57.419 257 HA ALA 34 HA ALA 34 51.085 47.688 55.581 258 1HB ALA 34 1HB ALA 34 52.413 46.914 58.329 259 2HB ALA 34 2HB ALA 34 51.275 48.262 57.974 260 3HB ALA 34 3HB ALA 34 52.981 48.341 57.389 261 H VAL 35 H VAL 35 52.845 44.790 56.095 262 HA VAL 35 HA VAL 35 55.433 45.664 55.365 263 HB VAL 35 HB VAL 35 53.994 43.041 55.121 264 1HG1 VAL 35 1HG1 VAL 35 55.311 42.997 52.966 265 2HG1 VAL 35 2HG1 VAL 35 56.305 42.088 54.200 266 3HG1 VAL 35 3HG1 VAL 35 56.715 43.776 53.785 267 1HG2 VAL 35 1HG2 VAL 35 55.824 44.263 56.997 268 2HG2 VAL 35 2HG2 VAL 35 56.746 42.934 56.131 269 3HG2 VAL 35 3HG2 VAL 35 55.129 42.600 56.957 270 H ARG 36 H ARG 36 52.918 44.263 53.330 271 HA ARG 36 HA ARG 36 54.410 45.039 50.839 272 1HB ARG 36 2HB ARG 36 53.142 43.355 49.743 273 2HB ARG 36 1HB ARG 36 53.559 42.635 51.367 274 1HG ARG 36 2HG ARG 36 51.001 44.066 51.587 275 2HG ARG 36 1HG ARG 36 50.908 42.856 50.231 276 1HD ARG 36 2HD ARG 36 52.208 42.204 52.883 277 2HD ARG 36 1HD ARG 36 50.421 42.094 52.735 278 HE ARG 36 HE ARG 36 52.057 40.836 50.523 279 1HH1 ARG 36 2HH1 ARG 36 50.293 40.353 53.607 280 2HH1 ARG 36 1HH1 ARG 36 50.112 38.621 53.349 281 1HH2 ARG 36 1HH2 ARG 36 51.766 38.468 50.264 282 2HH2 ARG 36 2HH2 ARG 36 50.901 37.588 51.533 283 H LEU 37 H LEU 37 51.704 46.042 52.761 284 HA LEU 37 HA LEU 37 50.050 46.894 50.587 285 1HB LEU 37 2HB LEU 37 50.402 47.563 53.549 286 2HB LEU 37 1HB LEU 37 49.699 48.881 52.543 287 HG LEU 37 HG LEU 37 48.090 47.193 53.585 288 1HD1 LEU 37 1HD1 LEU 37 47.233 48.915 52.182 289 2HD1 LEU 37 2HD1 LEU 37 46.637 47.387 51.460 290 3HD1 LEU 37 3HD1 LEU 37 48.086 48.257 50.724 291 1HD2 LEU 37 1HD2 LEU 37 49.622 45.306 52.143 292 2HD2 LEU 37 2HD2 LEU 37 48.224 45.598 50.995 293 3HD2 LEU 37 3HD2 LEU 37 47.945 45.019 52.686 294 H THR 38 H THR 38 49.902 48.713 49.585 295 HA THR 38 HA THR 38 52.338 50.494 49.542 296 HB THR 38 HB THR 38 51.546 50.952 47.099 297 HG1 THR 38 1HG THR 38 49.984 49.896 46.416 298 1HG2 THR 38 1HG2 THR 38 52.131 47.935 47.661 299 2HG2 THR 38 2HG2 THR 38 53.423 49.163 47.838 300 3HG2 THR 38 3HG2 THR 38 52.608 48.931 46.226 301 H GLN 39 H GLN 39 49.687 50.763 51.077 302 HA GLN 39 HA GLN 39 47.864 52.487 50.616 303 1HB GLN 39 2HB GLN 39 48.888 53.857 52.798 304 2HB GLN 39 1HB GLN 39 47.990 52.296 52.785 305 1HG GLN 39 2HG GLN 39 49.991 50.994 52.923 306 2HG GLN 39 1HG GLN 39 51.033 52.403 52.301 307 1HE2 GLN 39 2HE2 GLN 39 48.720 53.455 54.680 308 2HE2 GLN 39 1HE2 GLN 39 49.843 53.384 56.012 309 H THR 40 H THR 40 47.309 54.295 49.987 310 HA THR 40 HA THR 40 49.220 56.312 48.919 311 HB THR 40 HB THR 40 46.179 56.075 48.645 312 HG1 THR 40 1HG THR 40 47.363 54.307 47.802 313 1HG2 THR 40 1HG2 THR 40 48.537 57.497 47.117 314 2HG2 THR 40 2HG2 THR 40 47.185 58.344 48.038 315 3HG2 THR 40 3HG2 THR 40 46.887 57.459 46.471 316 H LYS 41 H LYS 41 49.447 58.238 49.486 317 HA LYS 41 HA LYS 41 47.322 59.470 51.228 318 1HB LYS 41 2HB LYS 41 49.114 59.976 53.091 319 2HB LYS 41 1HB LYS 41 48.913 58.188 52.737 320 1HG LYS 41 2HG LYS 41 51.226 58.455 52.894 321 2HG LYS 41 1HG LYS 41 50.986 58.565 51.128 322 1HD LYS 41 2HD LYS 41 52.441 60.364 51.700 323 2HD LYS 41 1HD LYS 41 50.821 61.258 51.637 324 1HE LYS 41 2HE LYS 41 52.002 61.986 53.599 325 2HE LYS 41 1HE LYS 41 50.557 60.944 53.983 326 1HZ LYS 41 1HZ LYS 41 52.005 59.478 54.989 327 2HZ LYS 41 2HZ LYS 41 53.227 60.600 54.799 328 3HZ LYS 41 3HZ LYS 41 52.992 59.475 53.623 329 H ILE 42 H ILE 42 48.015 61.901 51.750 330 HA ILE 42 HA ILE 42 50.140 62.889 49.995 331 HB ILE 42 HB ILE 42 48.915 62.863 47.973 332 1HG1 ILE 42 2HG1 ILE 42 47.004 64.890 49.164 333 2HG1 ILE 42 1HG1 ILE 42 48.697 65.374 48.830 334 1HG2 ILE 42 1HG2 ILE 42 46.316 62.734 48.128 335 2HG2 ILE 42 2HG2 ILE 42 46.556 62.299 49.849 336 3HG2 ILE 42 3HG2 ILE 42 47.311 61.338 48.500 337 1HD1 ILE 42 1HD1 ILE 42 46.525 65.337 47.014 338 2HD1 ILE 42 2HD1 ILE 42 47.388 63.797 46.571 339 3HD1 ILE 42 3HD1 ILE 42 48.238 65.400 46.492 340 H ILE 43 H ILE 43 50.921 64.649 50.703 341 HA ILE 43 HA ILE 43 49.500 66.158 52.845 342 HB ILE 43 HB ILE 43 52.163 66.450 51.428 343 1HG1 ILE 43 2HG1 ILE 43 51.554 64.655 53.878 344 2HG1 ILE 43 1HG1 ILE 43 51.852 63.966 52.204 345 1HG2 ILE 43 1HG2 ILE 43 52.828 66.890 54.061 346 2HG2 ILE 43 2HG2 ILE 43 51.051 67.125 54.256 347 3HG2 ILE 43 3HG2 ILE 43 51.971 68.156 53.055 348 1HD1 ILE 43 1HD1 ILE 43 53.723 64.711 54.290 349 2HD1 ILE 43 2HD1 ILE 43 54.067 65.719 52.826 350 3HD1 ILE 43 3HD1 ILE 43 54.114 63.942 52.693 351 H VAL 44 H VAL 44 49.961 68.476 52.903 352 HA VAL 44 HA VAL 44 50.398 69.852 50.311 353 HB VAL 44 HB VAL 44 48.101 68.951 50.098 354 1HG1 VAL 44 1HG1 VAL 44 47.802 69.489 52.825 355 2HG1 VAL 44 2HG1 VAL 44 46.453 69.088 51.636 356 3HG1 VAL 44 3HG1 VAL 44 46.803 70.772 52.042 357 1HG2 VAL 44 1HG2 VAL 44 48.801 71.537 49.340 358 2HG2 VAL 44 2HG2 VAL 44 47.605 71.961 50.624 359 3HG2 VAL 44 3HG2 VAL 44 47.065 71.042 49.187 360 H GLN 45 H GLN 45 51.904 70.293 52.250 361 HA GLN 45 HA GLN 45 51.099 72.031 54.270 362 1HB GLN 45 2HB GLN 45 53.658 71.304 52.919 363 2HB GLN 45 1HB GLN 45 53.713 72.626 54.208 364 1HG GLN 45 2HG GLN 45 52.923 70.995 55.882 365 2HG GLN 45 1HG GLN 45 52.241 69.914 54.499 366 1HE2 GLN 45 1HE2 GLN 45 55.031 71.527 55.798 367 2HE2 GLN 45 2HE2 GLN 45 56.234 70.128 55.498 368 H ASP 46 H ASP 46 52.049 73.932 54.814 369 HA ASP 46 HA ASP 46 52.242 75.884 52.598 370 1HB ASP 46 2HB ASP 46 49.853 75.287 53.063 371 2HB ASP 46 1HB ASP 46 49.991 76.109 54.697 372 H GLY 47 H GLY 47 53.718 74.953 55.059 373 1HA GLY 47 1HA GLY 47 55.471 76.070 56.183 374 2HA GLY 47 2HA GLY 47 54.576 77.688 56.035 375 H ASP 48 H ASP 48 52.152 76.169 57.165 376 HA ASP 48 HA ASP 48 52.939 75.259 59.762 377 1HB ASP 48 2HB ASP 48 53.280 78.068 59.317 378 2HB ASP 48 1HB ASP 48 51.681 78.007 60.261 379 H ASN 49 H ASN 49 51.160 74.600 57.917 380 HA ASN 49 HA ASN 49 48.905 73.613 59.414 381 1HB ASN 49 2HB ASN 49 47.162 74.966 57.783 382 2HB ASN 49 1HB ASN 49 47.684 75.623 59.433 383 1HD2 ASN 49 2HD2 ASN 49 48.858 77.315 59.635 384 2HD2 ASN 49 1HD2 ASN 49 49.311 78.374 58.135 385 H PHE 50 H PHE 50 49.118 71.796 58.594 386 HA PHE 50 HA PHE 50 48.412 71.425 55.707 387 1HB PHE 50 2HB PHE 50 50.312 70.275 55.118 388 2HB PHE 50 1HB PHE 50 51.031 71.583 56.165 389 HD1 PHE 50 HD1 PHE 50 51.778 71.367 58.319 390 HD2 PHE 50 HD2 PHE 50 50.132 68.037 56.106 391 HE1 PHE 50 HE1 PHE 50 52.684 69.748 60.080 392 HE2 PHE 50 HE2 PHE 50 51.041 66.414 57.883 393 HZ PHE 50 HZ PHE 50 52.263 67.356 59.760 394 H LYS 51 H LYS 51 47.852 69.413 54.926 395 HA LYS 51 HA LYS 51 47.231 67.544 57.094 396 1HB LYS 51 2HB LYS 51 45.024 67.943 57.016 397 2HB LYS 51 1HB LYS 51 45.285 69.270 55.760 398 1HG LYS 51 2HG LYS 51 45.038 66.312 54.871 399 2HG LYS 51 1HG LYS 51 43.584 67.324 55.164 400 1HD LYS 51 2HD LYS 51 45.484 68.958 53.837 401 2HD LYS 51 1HD LYS 51 45.372 67.397 52.869 402 1HE LYS 51 2HE LYS 51 42.996 68.981 53.945 403 2HE LYS 51 1HE LYS 51 43.764 69.421 52.318 404 1HZ LYS 51 1HZ LYS 51 41.784 67.902 52.150 405 2HZ LYS 51 2HZ LYS 51 42.574 66.779 53.071 406 3HZ LYS 51 3HZ LYS 51 43.203 67.256 51.553 407 H THR 52 H THR 52 46.980 65.541 56.650 408 HA THR 52 HA THR 52 47.590 64.517 53.880 409 HB THR 52 HB THR 52 49.785 64.659 54.605 410 HG1 THR 52 1HG THR 52 50.009 62.646 54.621 411 1HG2 THR 52 1HG2 THR 52 50.368 64.413 57.241 412 2HG2 THR 52 2HG2 THR 52 48.584 64.325 57.519 413 3HG2 THR 52 3HG2 THR 52 49.320 65.802 56.863 414 H LYS 53 H LYS 53 46.081 63.006 53.627 415 HA LYS 53 HA LYS 53 45.465 61.186 55.982 416 1HB LYS 53 2HB LYS 53 43.664 60.430 53.949 417 2HB LYS 53 1HB LYS 53 43.281 61.669 55.240 418 1HG LYS 53 2HG LYS 53 42.656 62.439 53.065 419 2HG LYS 53 1HG LYS 53 44.088 63.446 53.573 420 1HD LYS 53 2HD LYS 53 45.201 62.875 51.764 421 2HD LYS 53 1HD LYS 53 45.037 61.106 52.135 422 1HE LYS 53 2HE LYS 53 42.439 61.893 51.232 423 2HE LYS 53 1HE LYS 53 43.591 62.647 50.034 424 1HZ LYS 53 1HZ LYS 53 42.776 60.258 49.743 425 2HZ LYS 53 2HZ LYS 53 43.977 59.785 50.767 426 3HZ LYS 53 3HZ LYS 53 44.406 60.626 49.426 427 H THR 54 H THR 54 45.076 59.088 55.595 428 HA THR 54 HA THR 54 47.058 57.791 53.733 429 HB THR 54 HB THR 54 46.164 56.456 56.221 430 HG1 THR 54 1HG THR 54 48.139 58.450 55.942 431 1HG2 THR 54 1HG2 THR 54 48.785 56.579 54.529 432 2HG2 THR 54 2HG2 THR 54 47.502 55.236 54.499 433 3HG2 THR 54 3HG2 THR 54 48.565 55.409 55.888 434 H ASN 55 H ASN 55 46.548 56.090 52.602 435 HA ASN 55 HA ASN 55 43.734 55.029 52.774 436 1HB ASN 55 2HB ASN 55 44.686 56.551 50.619 437 2HB ASN 55 1HB ASN 55 44.924 54.796 50.032 438 1HD2 ASN 55 2HD2 ASN 55 42.860 53.588 51.215 439 2HD2 ASN 55 1HD2 ASN 55 41.272 54.336 50.526 440 H SER 56 H SER 56 44.387 53.799 54.151 441 HA SER 56 HA SER 56 45.614 51.160 53.261 442 1HB SER 56 2HB SER 56 45.508 51.544 56.181 443 2HB SER 56 1HB SER 56 47.038 51.475 55.054 444 HG SER 56 HG SER 56 45.883 53.679 56.151 445 H THR 57 H THR 57 44.247 49.898 52.809 446 HA THR 57 HA THR 57 41.449 49.983 53.473 447 HB THR 57 HB THR 57 41.989 48.717 51.618 448 HG1 THR 57 1HG THR 57 41.487 46.504 52.887 449 1HG2 THR 57 1HG2 THR 57 44.220 47.959 51.810 450 2HG2 THR 57 2HG2 THR 57 43.383 46.377 52.087 451 3HG2 THR 57 3HG2 THR 57 44.031 47.290 53.485 452 H PHE 58 H PHE 58 44.239 48.841 55.080 453 HA PHE 58 HA PHE 58 42.707 47.213 56.983 454 1HB PHE 58 2HB PHE 58 45.540 47.522 56.606 455 2HB PHE 58 1HB PHE 58 45.139 48.146 58.284 456 HD1 PHE 58 HD1 PHE 58 43.643 45.222 56.326 457 HD2 PHE 58 HD2 PHE 58 45.758 46.597 59.820 458 HE1 PHE 58 HE1 PHE 58 43.524 42.970 57.276 459 HE2 PHE 58 HE2 PHE 58 45.620 44.317 60.727 460 HZ PHE 58 HZ PHE 58 44.547 42.508 59.537 461 H ARG 59 H ARG 59 44.354 50.322 57.274 462 HA ARG 59 HA ARG 59 42.146 51.152 59.173 463 1HB ARG 59 2HB ARG 59 44.909 50.560 60.113 464 2HB ARG 59 1HB ARG 59 44.352 52.235 60.549 465 1HG ARG 59 2HG ARG 59 42.811 49.622 61.230 466 2HG ARG 59 1HG ARG 59 43.794 50.702 62.308 467 1HD ARG 59 2HD ARG 59 41.351 51.771 60.789 468 2HD ARG 59 1HD ARG 59 41.319 51.087 62.453 469 HE ARG 59 HE ARG 59 43.495 52.917 62.211 470 1HH1 ARG 59 2HH2 ARG 59 39.858 52.783 62.430 471 2HH1 ARG 59 1HH2 ARG 59 39.782 54.335 63.225 472 1HH2 ARG 59 1HH1 ARG 59 43.171 55.075 63.313 473 2HH2 ARG 59 2HH1 ARG 59 41.529 55.548 63.685 474 H ASN 60 H ASN 60 41.442 52.872 58.545 475 HA ASN 60 HA ASN 60 43.173 54.661 56.921 476 1HB ASN 60 2HB ASN 60 40.832 54.432 56.164 477 2HB ASN 60 1HB ASN 60 40.216 54.878 57.895 478 1HD2 ASN 60 1HD2 ASN 60 39.025 56.496 57.250 479 2HD2 ASN 60 2HD2 ASN 60 39.656 58.021 56.701 480 H TYR 61 H TYR 61 44.148 56.309 57.561 481 HA TYR 61 HA TYR 61 43.356 57.746 60.035 482 1HB TYR 61 2HB TYR 61 44.881 55.784 60.645 483 2HB TYR 61 1HB TYR 61 46.132 56.442 59.508 484 HD1 TYR 61 HD1 TYR 61 43.918 58.054 62.031 485 HD2 TYR 61 HD2 TYR 61 47.933 57.203 60.750 486 HE1 TYR 61 HE1 TYR 61 44.721 59.481 63.865 487 HE2 TYR 61 HE2 TYR 61 48.762 58.663 62.618 488 HH TYR 61 HH TYR 61 46.485 60.309 64.766 489 H ASP 62 H ASP 62 44.394 59.642 60.292 490 HA ASP 62 HA ASP 62 46.088 60.757 58.025 491 1HB ASP 62 2HB ASP 62 44.733 62.918 58.299 492 2HB ASP 62 1HB ASP 62 43.879 61.516 57.403 493 H LEU 63 H LEU 63 47.349 62.531 58.461 494 HA LEU 63 HA LEU 63 47.792 62.894 61.405 495 1HB LEU 63 2HB LEU 63 49.540 61.994 59.292 496 2HB LEU 63 1HB LEU 63 50.081 63.696 59.615 497 HG LEU 63 HG LEU 63 51.315 61.967 60.963 498 1HD1 LEU 63 1HD1 LEU 63 49.601 63.818 62.704 499 2HD1 LEU 63 2HD1 LEU 63 50.873 64.418 61.556 500 3HD1 LEU 63 3HD1 LEU 63 51.302 63.298 62.943 501 1HD2 LEU 63 1HD2 LEU 63 48.982 60.667 61.182 502 2HD2 LEU 63 2HD2 LEU 63 48.803 61.665 62.683 503 3HD2 LEU 63 3HD2 LEU 63 50.267 60.614 62.533 504 H ASP 64 H ASP 64 45.967 64.504 59.766 505 HA ASP 64 HA ASP 64 46.868 67.076 59.076 506 1HB ASP 64 2HB ASP 64 44.515 66.357 58.953 507 2HB ASP 64 1HB ASP 64 44.462 66.146 60.834 508 H PHE 65 H PHE 65 48.292 68.279 59.960 509 HA PHE 65 HA PHE 65 47.960 69.008 62.835 510 1HB PHE 65 2HB PHE 65 49.295 66.980 63.021 511 2HB PHE 65 1HB PHE 65 50.292 67.530 61.588 512 HD1 PHE 65 HD1 PHE 65 52.257 68.655 61.881 513 HD2 PHE 65 HD2 PHE 65 49.325 68.335 65.075 514 HE1 PHE 65 HE1 PHE 65 53.886 69.655 63.399 515 HE2 PHE 65 HE2 PHE 65 51.040 69.374 66.623 516 HZ PHE 65 HZ PHE 65 53.253 70.009 65.784 517 H THR 66 H THR 66 49.117 70.791 63.372 518 HA THR 66 HA THR 66 49.994 72.637 61.180 519 HB THR 66 HB THR 66 49.569 72.930 64.242 520 HG1 THR 66 1HG THR 66 47.947 73.565 61.986 521 1HG2 THR 66 1HG2 THR 66 50.866 74.809 62.395 522 2HG2 THR 66 2HG2 THR 66 49.906 75.317 63.884 523 3HG2 THR 66 3HG2 THR 66 49.132 75.241 62.275 524 H VAL 67 H VAL 67 52.082 72.879 60.787 525 HA VAL 67 HA VAL 67 54.165 71.498 62.196 526 HB VAL 67 HB VAL 67 54.288 73.981 60.425 527 1HG1 VAL 67 1HG1 VAL 67 56.232 74.178 61.730 528 2HG1 VAL 67 2HG1 VAL 67 56.832 73.238 60.305 529 3HG1 VAL 67 3HG1 VAL 67 56.444 72.372 61.900 530 1HG2 VAL 67 1HG2 VAL 67 54.159 72.287 58.840 531 2HG2 VAL 67 2HG2 VAL 67 54.232 71.020 60.169 532 3HG2 VAL 67 3HG2 VAL 67 55.754 71.721 59.389 533 H GLY 68 H GLY 68 55.303 71.692 63.770 534 1HA GLY 68 1HA GLY 68 56.433 72.728 65.607 535 2HA GLY 68 2HA GLY 68 55.978 74.334 64.805 536 H VAL 69 H VAL 69 53.029 72.993 65.110 537 HA VAL 69 HA VAL 69 52.647 74.077 67.910 538 HB VAL 69 HB VAL 69 51.006 73.632 65.362 539 1HG1 VAL 69 1HG1 VAL 69 49.250 75.182 66.835 540 2HG1 VAL 69 2HG1 VAL 69 50.079 74.316 68.161 541 3HG1 VAL 69 3HG1 VAL 69 49.296 73.360 66.849 542 1HG2 VAL 69 1HG2 VAL 69 52.072 75.690 64.915 543 2HG2 VAL 69 2HG2 VAL 69 52.423 75.963 66.635 544 3HG2 VAL 69 3HG2 VAL 69 50.767 76.429 65.909 545 H GLU 70 H GLU 70 53.445 72.172 68.639 546 HA GLU 70 HA GLU 70 52.803 69.616 67.914 547 1HB GLU 70 2HB GLU 70 53.716 68.957 69.883 548 2HB GLU 70 1HB GLU 70 54.045 70.781 70.051 549 1HG GLU 70 2HG GLU 70 51.664 69.255 71.234 550 2HG GLU 70 1HG GLU 70 53.193 69.868 72.142 551 H PHE 71 H PHE 71 51.465 68.088 68.576 552 HA PHE 71 HA PHE 71 48.778 68.966 69.687 553 1HB PHE 71 2HB PHE 71 48.930 69.348 67.139 554 2HB PHE 71 1HB PHE 71 48.767 67.524 66.951 555 HD1 PHE 71 HD1 PHE 71 46.798 68.912 65.662 556 HD2 PHE 71 HD2 PHE 71 46.988 68.117 69.770 557 HE1 PHE 71 HE1 PHE 71 44.395 69.092 65.704 558 HE2 PHE 71 HE2 PHE 71 44.448 68.273 69.955 559 HZ PHE 71 HZ PHE 71 43.131 68.773 67.894 560 H ASP 72 H ASP 72 48.453 67.484 71.208 561 HA ASP 72 HA ASP 72 49.183 64.702 70.959 562 1HB ASP 72 2HB ASP 72 48.934 65.795 73.161 563 2HB ASP 72 1HB ASP 72 47.182 66.235 72.776 564 H GLU 73 H GLU 73 48.270 63.804 69.166 565 HA GLU 73 HA GLU 73 45.324 64.029 68.488 566 1HB GLU 73 2HB GLU 73 47.078 61.928 67.285 567 2HB GLU 73 1HB GLU 73 45.874 62.983 66.464 568 1HG GLU 73 2HG GLU 73 47.698 64.857 67.287 569 2HG GLU 73 1HG GLU 73 48.798 63.343 67.121 570 H HIS 74 H HIS 74 44.662 61.688 67.765 571 HA HIS 74 HA HIS 74 45.117 59.672 69.849 572 1HB HIS 74 2HB HIS 74 43.049 61.559 70.163 573 2HB HIS 74 1HB HIS 74 42.255 60.269 69.124 574 HD1 HIS 74 HD1 HIS 74 40.932 60.406 71.677 575 HD2 HIS 74 HD2 HIS 74 44.488 58.248 71.041 576 HE1 HIS 74 HE1 HIS 74 41.017 58.587 73.526 577 HE2 HIS 74 HE2 HIS 74 43.208 57.285 73.113 578 H THR 75 H THR 75 45.714 58.162 68.693 579 HA THR 75 HA THR 75 44.884 57.594 65.956 580 HB THR 75 HB THR 75 46.310 55.387 66.720 581 HG1 THR 75 1HG THR 75 47.559 56.983 68.497 582 1HG2 THR 75 1HG2 THR 75 47.257 58.405 66.575 583 2HG2 THR 75 2HG2 THR 75 47.316 57.200 65.236 584 3HG2 THR 75 3HG2 THR 75 48.488 57.064 66.609 585 H LYS 76 H LYS 76 43.596 56.977 68.831 586 HA LYS 76 HA LYS 76 42.887 54.417 69.396 587 1HB LYS 76 2HB LYS 76 40.326 55.349 69.619 588 2HB LYS 76 1HB LYS 76 41.695 55.964 70.672 589 1HG LYS 76 2HG LYS 76 41.923 57.934 69.509 590 2HG LYS 76 1HG LYS 76 41.354 57.165 67.953 591 1HD LYS 76 2HD LYS 76 39.285 57.318 70.114 592 2HD LYS 76 1HD LYS 76 39.839 58.933 69.405 593 1HE LYS 76 2HE LYS 76 39.607 57.513 67.133 594 2HE LYS 76 1HE LYS 76 38.461 56.505 68.158 595 1HZ LYS 76 1HZ LYS 76 37.167 58.456 68.563 596 2HZ LYS 76 2HZ LYS 76 37.338 58.400 66.929 597 3HZ LYS 76 3HZ LYS 76 38.224 59.495 67.840 598 H GLY 77 H GLY 77 42.824 52.913 68.129 599 1HA GLY 77 1HA GLY 77 40.936 51.580 66.905 600 2HA GLY 77 2HA GLY 77 41.042 52.896 65.688 601 H LEU 78 H LEU 78 43.733 53.438 66.173 602 HA LEU 78 HA LEU 78 45.040 51.267 64.513 603 1HB LEU 78 2HB LEU 78 44.845 54.054 64.190 604 2HB LEU 78 1HB LEU 78 46.483 53.855 64.973 605 HG LEU 78 HG LEU 78 45.492 52.222 62.554 606 1HD1 LEU 78 1HD1 LEU 78 46.027 53.878 61.011 607 2HD1 LEU 78 2HD1 LEU 78 47.280 54.614 62.170 608 3HD1 LEU 78 3HD1 LEU 78 45.534 54.901 62.436 609 1HD2 LEU 78 1HD2 LEU 78 48.201 52.867 63.909 610 2HD2 LEU 78 2HD2 LEU 78 48.154 52.480 62.125 611 3HD2 LEU 78 3HD2 LEU 78 47.612 51.262 63.308 612 H ASP 79 H ASP 79 44.577 50.959 67.248 613 HA ASP 79 HA ASP 79 45.533 50.508 69.183 614 1HB ASP 79 2HB ASP 79 46.172 48.777 67.478 615 2HB ASP 79 1HB ASP 79 47.915 49.437 67.522 616 H GLY 80 H GLY 80 46.104 53.231 68.411 617 1HA GLY 80 1HA GLY 80 48.837 53.500 69.610 618 2HA GLY 80 2HA GLY 80 48.127 54.702 68.405 619 H ARG 81 H ARG 81 45.663 54.791 69.486 620 HA ARG 81 HA ARG 81 44.526 56.240 70.828 621 1HB ARG 81 2HB ARG 81 43.850 55.228 72.941 622 2HB ARG 81 1HB ARG 81 44.146 53.913 71.733 623 1HG ARG 81 2HG ARG 81 46.583 53.764 72.725 624 2HG ARG 81 1HG ARG 81 45.983 54.802 74.076 625 1HD ARG 81 2HD ARG 81 45.932 52.274 74.437 626 2HD ARG 81 1HD ARG 81 44.290 53.052 74.638 627 HE ARG 81 HE ARG 81 44.977 52.078 71.951 628 1HH1 ARG 81 1HH2 ARG 81 43.343 51.480 75.112 629 2HH1 ARG 81 2HH2 ARG 81 42.247 50.238 74.487 630 1HH2 ARG 81 2HH1 ARG 81 43.482 50.408 71.150 631 2HH2 ARG 81 1HH1 ARG 81 42.335 49.620 72.235 632 H ASN 82 H ASN 82 47.512 57.092 70.668 633 HA ASN 82 HA ASN 82 47.086 59.252 72.322 634 1HB ASN 82 2HB ASN 82 48.993 58.711 74.071 635 2HB ASN 82 1HB ASN 82 47.329 58.009 74.423 636 1HD2 ASN 82 2HD2 ASN 82 50.554 57.330 72.934 637 2HD2 ASN 82 1HD2 ASN 82 50.503 55.619 73.178 638 H VAL 83 H VAL 83 47.833 59.665 70.074 639 HA VAL 83 HA VAL 83 50.888 59.783 70.169 640 HB VAL 83 HB VAL 83 50.981 60.291 67.855 641 1HG1 VAL 83 1HG1 VAL 83 49.240 57.849 68.498 642 2HG1 VAL 83 2HG1 VAL 83 51.046 57.893 68.426 643 3HG1 VAL 83 3HG1 VAL 83 50.090 58.112 66.910 644 1HG2 VAL 83 1HG2 VAL 83 47.936 60.139 68.030 645 2HG2 VAL 83 2HG2 VAL 83 48.773 59.680 66.489 646 3HG2 VAL 83 3HG2 VAL 83 48.971 61.398 67.171 647 H LYS 84 H LYS 84 52.000 61.384 69.641 648 HA LYS 84 HA LYS 84 50.864 64.135 70.119 649 1HB LYS 84 2HB LYS 84 53.169 62.717 71.561 650 2HB LYS 84 1HB LYS 84 52.753 64.477 71.695 651 1HG LYS 84 2HG LYS 84 51.620 63.531 73.529 652 2HG LYS 84 1HG LYS 84 50.321 63.634 72.179 653 1HD LYS 84 2HD LYS 84 49.964 61.483 72.904 654 2HD LYS 84 1HD LYS 84 51.369 61.034 71.851 655 1HE LYS 84 2HE LYS 84 51.890 60.118 74.101 656 2HE LYS 84 1HE LYS 84 52.807 61.707 74.048 657 1HZ LYS 84 1HZ LYS 84 51.632 62.150 75.948 658 2HZ LYS 84 2HZ LYS 84 50.449 61.051 75.581 659 3HZ LYS 84 3HZ LYS 84 50.430 62.536 74.853 660 H THR 85 H THR 85 51.270 64.685 68.067 661 HA THR 85 HA THR 85 53.800 64.302 66.626 662 HB THR 85 HB THR 85 51.206 65.835 66.260 663 HG1 THR 85 1HG THR 85 50.754 63.945 65.108 664 1HG2 THR 85 1HG2 THR 85 52.408 64.733 63.777 665 2HG2 THR 85 2HG2 THR 85 53.664 65.701 64.554 666 3HG2 THR 85 3HG2 THR 85 52.056 66.470 64.052 667 H LEU 86 H LEU 86 55.425 65.380 66.449 668 HA LEU 86 HA LEU 86 55.262 68.318 66.823 669 1HB LEU 86 2HB LEU 86 56.337 66.915 68.906 670 2HB LEU 86 1HB LEU 86 57.740 66.758 67.752 671 HG LEU 86 HG LEU 86 56.969 69.537 67.736 672 1HD1 LEU 86 1HD1 LEU 86 55.813 69.272 69.913 673 2HD1 LEU 86 2HD1 LEU 86 57.509 69.814 70.348 674 3HD1 LEU 86 3HD1 LEU 86 57.098 68.081 70.438 675 1HD2 LEU 86 1HD2 LEU 86 59.305 67.827 68.808 676 2HD2 LEU 86 2HD2 LEU 86 59.193 69.626 69.106 677 3HD2 LEU 86 3HD2 LEU 86 59.285 69.007 67.429 678 H VAL 87 H VAL 87 55.668 68.975 64.866 679 HA VAL 87 HA VAL 87 57.980 67.778 63.340 680 HB VAL 87 HB VAL 87 55.120 68.401 62.681 681 1HG1 VAL 87 1HG1 VAL 87 55.681 69.161 60.318 682 2HG1 VAL 87 2HG1 VAL 87 57.286 69.606 60.914 683 3HG1 VAL 87 3HG1 VAL 87 55.791 70.396 61.629 684 1HG2 VAL 87 1HG2 VAL 87 56.481 67.208 60.446 685 2HG2 VAL 87 2HG2 VAL 87 55.376 66.402 61.601 686 3HG2 VAL 87 3HG2 VAL 87 57.162 66.399 61.910 687 H THR 88 H THR 88 59.324 69.145 62.212 688 HA THR 88 HA THR 88 58.893 72.012 62.308 689 HB THR 88 HB THR 88 61.273 70.443 63.559 690 HG1 THR 88 1HG THR 88 60.252 70.581 65.370 691 1HG2 THR 88 1HG2 THR 88 62.239 72.536 64.115 692 2HG2 THR 88 2HG2 THR 88 60.727 73.438 64.191 693 3HG2 THR 88 3HG2 THR 88 61.485 73.018 62.542 694 H TRP 89 H TRP 89 59.624 72.808 60.527 695 HA TRP 89 HA TRP 89 60.753 71.345 58.256 696 1HB TRP 89 2HB TRP 89 60.615 74.346 58.955 697 2HB TRP 89 1HB TRP 89 61.639 73.841 57.596 698 HD1 TRP 89 HD1 TRP 89 58.090 73.867 58.912 699 HE1 TRP 89 HE1 TRP 89 56.500 73.275 56.985 700 HE3 TRP 89 HE3 TRP 89 61.607 72.593 55.563 701 HZ2 TRP 89 HZ2 TRP 89 56.887 72.298 54.173 702 HZ3 TRP 89 HZ3 TRP 89 61.034 71.867 53.386 703 HH2 TRP 89 HH2 TRP 89 58.728 71.736 52.739 704 H GLU 90 H GLU 90 62.680 71.055 57.314 705 HA GLU 90 HA GLU 90 64.997 71.900 58.988 706 1HB GLU 90 2HB GLU 90 63.796 69.232 58.715 707 2HB GLU 90 1HB GLU 90 65.533 69.252 58.239 708 1HG GLU 90 2HG GLU 90 64.363 70.346 60.934 709 2HG GLU 90 1HG GLU 90 65.334 68.800 60.678 710 H GLY 91 H GLY 91 63.675 72.441 56.378 711 1HA GLY 91 1HA GLY 91 65.308 73.551 54.759 712 2HA GLY 91 2HA GLY 91 65.974 71.858 54.519 713 H ASN 92 H ASN 92 64.927 70.459 53.534 714 HA ASN 92 HA ASN 92 62.358 71.105 52.042 715 1HB ASN 92 2HB ASN 92 64.064 68.615 51.531 716 2HB ASN 92 1HB ASN 92 63.153 69.724 50.298 717 1HD2 ASN 92 1HD2 ASN 92 64.038 71.274 49.447 718 2HD2 ASN 92 2HD2 ASN 92 65.709 71.830 49.598 719 H THR 93 H THR 93 63.649 69.656 54.695 720 HA THR 93 HA THR 93 61.533 67.540 54.895 721 HB THR 93 HB THR 93 63.686 67.700 56.999 722 HG1 THR 93 1HG THR 93 65.032 68.059 55.427 723 1HG2 THR 93 1HG2 THR 93 62.444 65.559 55.060 724 2HG2 THR 93 2HG2 THR 93 62.259 65.614 56.844 725 3HG2 THR 93 3HG2 THR 93 63.834 65.135 56.141 726 H LEU 94 H LEU 94 60.812 67.148 57.098 727 HA LEU 94 HA LEU 94 60.287 69.522 58.779 728 1HB LEU 94 2HB LEU 94 57.732 68.941 58.629 729 2HB LEU 94 1HB LEU 94 58.445 69.895 57.278 730 HG LEU 94 HG LEU 94 58.791 66.996 56.939 731 1HD1 LEU 94 1HD1 LEU 94 56.424 66.377 56.362 732 2HD1 LEU 94 2HD1 LEU 94 55.874 68.045 56.645 733 3HD1 LEU 94 3HD1 LEU 94 56.449 67.022 58.047 734 1HD2 LEU 94 1HD2 LEU 94 59.309 68.101 55.067 735 2HD2 LEU 94 2HD2 LEU 94 58.015 69.363 55.247 736 3HD2 LEU 94 3HD2 LEU 94 57.614 67.676 54.617 737 H VAL 95 H VAL 95 61.774 67.530 59.209 738 HA VAL 95 HA VAL 95 61.334 65.156 60.170 739 HB VAL 95 HB VAL 95 62.576 67.446 61.854 740 1HG1 VAL 95 1HG1 VAL 95 62.299 64.850 62.810 741 2HG1 VAL 95 2HG1 VAL 95 63.745 65.940 63.165 742 3HG1 VAL 95 3HG1 VAL 95 63.743 64.720 61.798 743 1HG2 VAL 95 1HG2 VAL 95 63.822 67.584 59.911 744 2HG2 VAL 95 2HG2 VAL 95 63.380 65.886 59.356 745 3HG2 VAL 95 3HG2 VAL 95 64.678 66.091 60.580 746 H CYS 96 H CYS 96 59.673 64.332 61.168 747 HA CYS 96 HA CYS 96 58.316 65.573 63.475 748 1HB CYS 96 2HB CYS 96 57.343 64.000 61.373 749 2HB CYS 96 1HB CYS 96 57.602 62.692 62.528 750 HG CYS 96 HG CYS 96 56.120 63.523 64.431 751 H VAL 97 H VAL 97 57.866 64.199 65.218 752 HA VAL 97 HA VAL 97 59.434 61.910 66.092 753 HB VAL 97 HB VAL 97 59.806 63.868 68.193 754 1HG1 VAL 97 1HG1 VAL 97 61.776 63.067 65.889 755 2HG1 VAL 97 2HG1 VAL 97 61.522 62.015 67.388 756 3HG1 VAL 97 3HG1 VAL 97 62.200 63.660 67.572 757 1HG2 VAL 97 1HG2 VAL 97 60.626 65.063 65.526 758 2HG2 VAL 97 2HG2 VAL 97 61.007 65.699 67.193 759 3HG2 VAL 97 3HG2 VAL 97 59.273 65.571 66.608 760 H GLN 98 H GLN 98 57.265 61.318 65.984 761 HA GLN 98 HA GLN 98 55.280 62.387 67.904 762 1HB GLN 98 2HB GLN 98 55.081 60.631 65.669 763 2HB GLN 98 1HB GLN 98 55.186 59.448 67.024 764 1HG GLN 98 2HG GLN 98 53.194 59.965 68.032 765 2HG GLN 98 1HG GLN 98 53.023 61.587 67.306 766 1HE2 GLN 98 2HE2 GLN 98 53.069 58.247 67.248 767 2HE2 GLN 98 1HE2 GLN 98 52.017 57.869 65.914 768 H LYS 99 H LYS 99 54.010 61.255 69.186 769 HA LYS 99 HA LYS 99 55.721 59.412 70.781 770 1HB LYS 99 2HB LYS 99 53.230 60.766 71.781 771 2HB LYS 99 1HB LYS 99 54.295 59.762 72.792 772 1HG LYS 99 2HG LYS 99 55.083 62.402 71.407 773 2HG LYS 99 1HG LYS 99 54.828 62.198 73.140 774 1HD LYS 99 2HD LYS 99 56.654 60.204 72.810 775 2HD LYS 99 1HD LYS 99 57.142 61.206 71.325 776 1HE LYS 99 2HE LYS 99 58.469 62.045 73.217 777 2HE LYS 99 1HE LYS 99 57.103 63.210 72.948 778 1HZ LYS 99 1HZ LYS 99 57.531 62.433 75.329 779 2HZ LYS 99 2HZ LYS 99 56.863 60.983 74.920 780 3HZ LYS 99 3HZ LYS 99 55.957 62.393 74.735 781 H GLY 100 H GLY 100 55.058 58.097 68.963 782 1HA GLY 100 1HA GLY 100 53.015 56.060 69.775 783 2HA GLY 100 2HA GLY 100 52.615 56.771 68.203 784 H GLU 101 H GLU 101 54.849 55.534 70.361 785 HA GLU 101 HA GLU 101 56.140 53.546 69.992 786 1HB GLU 101 2HB GLU 101 56.647 53.588 67.504 787 2HB GLU 101 1HB GLU 101 57.287 55.234 67.578 788 1HG GLU 101 2HG GLU 101 58.999 53.489 67.508 789 2HG GLU 101 1HG GLU 101 59.148 54.369 69.125 790 H LYS 102 H LYS 102 56.157 56.836 69.808 791 HA LYS 102 HA LYS 102 57.228 58.637 70.808 792 1HB LYS 102 2HB LYS 102 56.651 57.958 73.428 793 2HB LYS 102 1HB LYS 102 55.342 58.316 72.261 794 1HG LYS 102 2HG LYS 102 55.896 55.484 71.902 795 2HG LYS 102 1HG LYS 102 55.717 55.901 73.592 796 1HD LYS 102 2HD LYS 102 53.510 57.069 73.023 797 2HD LYS 102 1HD LYS 102 53.899 56.796 71.304 798 1HE LYS 102 2HE LYS 102 52.341 55.142 71.671 799 2HE LYS 102 1HE LYS 102 53.969 54.425 71.572 800 1HZ LYS 102 1HZ LYS 102 53.708 53.693 73.845 801 2HZ LYS 102 2HZ LYS 102 52.087 53.988 73.592 802 3HZ LYS 102 3HZ LYS 102 53.047 55.141 74.286 803 H GLU 103 H GLU 103 59.070 59.219 70.972 804 HA GLU 103 HA GLU 103 60.577 59.626 72.962 805 1HB GLU 103 2HB GLU 103 62.372 57.699 72.929 806 2HB GLU 103 1HB GLU 103 60.773 57.300 73.729 807 1HG GLU 103 2HG GLU 103 60.223 55.701 72.170 808 2HG GLU 103 1HG GLU 103 60.763 56.758 70.770 809 H ASN 104 H ASN 104 60.174 58.356 69.868 810 HA ASN 104 HA ASN 104 62.010 60.142 68.600 811 1HB ASN 104 2HB ASN 104 63.152 57.988 69.787 812 2HB ASN 104 1HB ASN 104 62.424 57.038 68.436 813 1HD2 ASN 104 1HD2 ASN 104 64.587 56.516 68.239 814 2HD2 ASN 104 2HD2 ASN 104 65.698 57.554 67.124 815 H ARG 105 H ARG 105 58.986 59.115 68.528 816 HA ARG 105 HA ARG 105 59.162 57.440 66.154 817 1HB ARG 105 2HB ARG 105 57.540 56.919 67.976 818 2HB ARG 105 1HB ARG 105 56.667 58.393 67.585 819 1HG ARG 105 2HG ARG 105 57.267 57.220 65.050 820 2HG ARG 105 1HG ARG 105 56.596 55.848 65.997 821 1HD ARG 105 2HD ARG 105 54.570 57.472 66.527 822 2HD ARG 105 1HD ARG 105 55.378 58.558 65.332 823 HE ARG 105 HE ARG 105 55.223 56.877 63.651 824 1HH1 ARG 105 2HH1 ARG 105 53.054 56.195 66.479 825 2HH1 ARG 105 1HH1 ARG 105 52.043 55.113 65.459 826 1HH2 ARG 105 2HH2 ARG 105 53.750 55.411 62.536 827 2HH2 ARG 105 1HH2 ARG 105 52.387 54.687 63.391 828 H GLY 106 H GLY 106 60.376 58.920 65.237 829 1HA GLY 106 1HA GLY 106 58.817 61.088 63.759 830 2HA GLY 106 2HA GLY 106 60.614 60.886 63.870 831 H TRP 107 H TRP 107 59.038 61.493 61.836 832 HA TRP 107 HA TRP 107 60.104 59.483 59.951 833 1HB TRP 107 2HB TRP 107 57.816 60.463 58.500 834 2HB TRP 107 1HB TRP 107 57.975 58.820 59.213 835 HD1 TRP 107 HD1 TRP 107 57.146 58.900 62.161 836 HE1 TRP 107 HE1 TRP 107 55.216 60.127 63.122 837 HE3 TRP 107 HE3 TRP 107 56.541 62.140 58.329 838 HZ2 TRP 107 HZ2 TRP 107 53.640 62.265 62.298 839 HZ3 TRP 107 HZ3 TRP 107 54.786 63.769 58.497 840 HH2 TRP 107 HH2 TRP 107 53.308 63.823 60.506 841 H LYS 108 H LYS 108 61.564 60.259 58.911 842 HA LYS 108 HA LYS 108 61.489 63.132 58.109 843 1HB LYS 108 2HB LYS 108 63.706 60.988 57.972 844 2HB LYS 108 1HB LYS 108 63.943 62.712 57.398 845 1HG LYS 108 2HG LYS 108 63.994 63.629 59.520 846 2HG LYS 108 1HG LYS 108 62.806 62.424 60.185 847 1HD LYS 108 2HD LYS 108 64.481 61.179 61.094 848 2HD LYS 108 1HD LYS 108 65.242 61.040 59.450 849 1HE LYS 108 2HE LYS 108 66.599 62.964 59.790 850 2HE LYS 108 1HE LYS 108 65.413 63.619 61.025 851 1HZ LYS 108 1HZ LYS 108 66.143 61.981 62.538 852 2HZ LYS 108 2HZ LYS 108 67.404 62.926 62.079 853 3HZ LYS 108 3HZ LYS 108 67.287 61.315 61.507 854 H GLN 109 H GLN 109 59.986 62.911 56.637 855 HA GLN 109 HA GLN 109 60.766 61.466 54.038 856 1HB GLN 109 2HB GLN 109 58.584 63.176 53.443 857 2HB GLN 109 1HB GLN 109 58.536 61.374 53.607 858 1HG GLN 109 2HG GLN 109 58.101 61.916 56.188 859 2HG GLN 109 1HG GLN 109 58.032 63.688 55.629 860 1HE2 GLN 109 1HE2 GLN 109 56.695 60.530 55.488 861 2HE2 GLN 109 2HE2 GLN 109 55.096 61.057 54.681 862 H TRP 110 H TRP 110 62.373 62.783 52.756 863 HA TRP 110 HA TRP 110 61.910 65.751 53.126 864 1HB TRP 110 2HB TRP 110 64.178 66.064 52.995 865 2HB TRP 110 1HB TRP 110 63.934 64.594 54.052 866 HD1 TRP 110 HD1 TRP 110 64.664 65.626 50.508 867 HE1 TRP 110 HE1 TRP 110 66.162 63.740 49.399 868 HE3 TRP 110 HE3 TRP 110 64.602 62.528 54.301 869 HZ2 TRP 110 HZ2 TRP 110 67.094 61.188 50.349 870 HZ3 TRP 110 HZ3 TRP 110 65.774 60.350 54.298 871 HH2 TRP 110 HH2 TRP 110 66.960 59.725 52.392 872 H VAL 111 H VAL 111 61.480 63.333 50.747 873 HA VAL 111 HA VAL 111 60.834 63.528 48.542 874 HB VAL 111 HB VAL 111 61.175 66.571 48.703 875 1HG1 VAL 111 1HG1 VAL 111 59.071 64.917 47.225 876 2HG1 VAL 111 2HG1 VAL 111 60.719 65.400 46.565 877 3HG1 VAL 111 3HG1 VAL 111 59.525 66.638 47.059 878 1HG2 VAL 111 1HG2 VAL 111 59.861 65.918 50.809 879 2HG2 VAL 111 2HG2 VAL 111 58.853 64.845 49.739 880 3HG2 VAL 111 3HG2 VAL 111 58.797 66.638 49.507 881 H GLU 112 H GLU 112 61.626 63.269 46.749 882 HA GLU 112 HA GLU 112 64.215 64.628 46.055 883 1HB GLU 112 2HB GLU 112 63.524 61.665 46.044 884 2HB GLU 112 1HB GLU 112 64.820 62.271 44.992 885 1HG GLU 112 2HG GLU 112 66.171 62.968 46.935 886 2HG GLU 112 1HG GLU 112 64.589 62.891 47.990 887 H GLY 113 H GLY 113 61.402 62.859 44.903 888 1HA GLY 113 1HA GLY 113 60.131 63.781 42.986 889 2HA GLY 113 2HA GLY 113 61.676 63.936 42.054 890 H ASP 114 H ASP 114 59.063 61.965 42.760 891 HA ASP 114 HA ASP 114 58.321 60.053 41.900 892 1HB ASP 114 2HB ASP 114 59.255 59.482 39.819 893 2HB ASP 114 1HB ASP 114 60.601 60.710 40.203 894 H LYS 115 H LYS 115 60.902 60.318 44.011 895 HA LYS 115 HA LYS 115 60.320 57.712 45.200 896 1HB LYS 115 2HB LYS 115 62.406 57.516 43.461 897 2HB LYS 115 1HB LYS 115 63.268 58.530 44.709 898 1HG LYS 115 2HG LYS 115 63.338 56.932 46.297 899 2HG LYS 115 1HG LYS 115 61.670 56.334 45.871 900 1HD LYS 115 2HD LYS 115 63.772 56.059 43.740 901 2HD LYS 115 1HD LYS 115 64.098 54.988 45.161 902 1HE LYS 115 2HE LYS 115 61.855 54.003 45.063 903 2HE LYS 115 1HE LYS 115 61.370 55.192 43.786 904 1HZ LYS 115 1HZ LYS 115 63.226 52.876 43.628 905 2HZ LYS 115 2HZ LYS 115 63.336 54.116 42.512 906 3HZ LYS 115 3HZ LYS 115 61.947 53.184 42.623 907 H LEU 116 H LEU 116 60.939 57.524 47.301 908 HA LEU 116 HA LEU 116 62.075 60.022 48.510 909 1HB LEU 116 2HB LEU 116 59.385 60.094 48.212 910 2HB LEU 116 1HB LEU 116 59.480 59.102 49.716 911 HG LEU 116 HG LEU 116 61.216 61.493 49.825 912 1HD1 LEU 116 1HD1 LEU 116 59.041 62.344 48.668 913 2HD1 LEU 116 2HD1 LEU 116 59.386 63.042 50.319 914 3HD1 LEU 116 3HD1 LEU 116 58.152 61.665 50.065 915 1HD2 LEU 116 1HD2 LEU 116 59.274 60.041 51.709 916 2HD2 LEU 116 2HD2 LEU 116 60.069 61.619 52.162 917 3HD2 LEU 116 3HD2 LEU 116 61.073 60.173 51.782 918 H TYR 117 H TYR 117 62.746 59.916 50.535 919 HA TYR 117 HA TYR 117 62.773 57.115 51.633 920 1HB TYR 117 2HB TYR 117 65.027 59.178 51.106 921 2HB TYR 117 1HB TYR 117 65.150 58.064 52.529 922 HD1 TYR 117 HD1 TYR 117 66.793 58.285 49.610 923 HD2 TYR 117 HD2 TYR 117 63.829 55.508 51.181 924 HE1 TYR 117 HE1 TYR 117 67.574 56.558 48.129 925 HE2 TYR 117 HE2 TYR 117 64.680 53.816 49.647 926 HH TYR 117 HH TYR 117 66.831 54.605 47.103 927 H LEU 118 H LEU 118 61.113 57.625 52.596 928 HA LEU 118 HA LEU 118 61.296 59.610 54.824 929 1HB LEU 118 2HB LEU 118 59.132 59.261 53.917 930 2HB LEU 118 1HB LEU 118 59.263 57.440 53.880 931 HG LEU 118 HG LEU 118 59.319 57.411 56.438 932 1HD1 LEU 118 1HD1 LEU 118 58.187 60.040 56.656 933 2HD1 LEU 118 2HD1 LEU 118 59.895 60.159 56.062 934 3HD1 LEU 118 3HD1 LEU 118 59.526 59.311 57.635 935 1HD2 LEU 118 1HD2 LEU 118 56.954 57.060 55.882 936 2HD2 LEU 118 2HD2 LEU 118 57.012 58.458 54.721 937 3HD2 LEU 118 3HD2 LEU 118 56.863 58.682 56.552 938 H GLU 119 H GLU 119 62.626 59.190 56.557 939 HA GLU 119 HA GLU 119 63.360 56.318 57.138 940 1HB GLU 119 2HB GLU 119 64.512 58.803 58.474 941 2HB GLU 119 1HB GLU 119 65.180 57.157 58.305 942 1HG GLU 119 2HG GLU 119 64.715 57.737 55.657 943 2HG GLU 119 1HG GLU 119 65.078 59.417 56.366 944 H LEU 120 H LEU 120 61.856 55.289 58.442 945 HA LEU 120 HA LEU 120 60.646 56.966 60.579 946 1HB LEU 120 2HB LEU 120 60.163 54.273 59.586 947 2HB LEU 120 1HB LEU 120 60.164 54.267 61.414 948 HG LEU 120 HG LEU 120 58.215 55.319 59.419 949 1HD1 LEU 120 1HD1 LEU 120 56.708 55.094 61.507 950 2HD1 LEU 120 2HD1 LEU 120 58.199 54.334 62.284 951 3HD1 LEU 120 3HD1 LEU 120 57.447 53.558 60.837 952 1HD2 LEU 120 1HD2 LEU 120 57.245 57.042 60.975 953 2HD2 LEU 120 2HD2 LEU 120 58.844 57.644 60.474 954 3HD2 LEU 120 3HD2 LEU 120 58.620 56.875 62.112 955 H THR 121 H THR 121 61.608 57.421 62.329 956 HA THR 121 HA THR 121 64.010 55.778 63.108 957 HB THR 121 HB THR 121 64.171 57.842 64.860 958 HG1 THR 121 1HG THR 121 63.464 59.630 63.496 959 1HG2 THR 121 1HG2 THR 121 65.661 57.003 62.792 960 2HG2 THR 121 2HG2 THR 121 65.825 58.715 63.269 961 3HG2 THR 121 3HG2 THR 121 64.836 58.244 61.789 962 H CYS 122 H CYS 122 60.979 55.211 63.520 963 HA CYS 122 HA CYS 122 60.115 55.161 66.062 964 1HB CYS 122 2HB CYS 122 58.744 54.041 64.569 965 2HB CYS 122 1HB CYS 122 60.059 53.375 63.587 966 HG CYS 122 HG CYS 122 60.717 51.370 65.102 967 H GLY 123 H GLY 123 60.606 54.411 67.792 968 1HA GLY 123 1HA GLY 123 61.598 53.329 69.601 969 2HA GLY 123 2HA GLY 123 61.879 51.965 68.434 970 H ASP 124 H ASP 124 63.742 51.881 70.041 971 HA ASP 124 HA ASP 124 66.066 53.515 69.088 972 1HB ASP 124 2HB ASP 124 65.686 51.565 71.516 973 2HB ASP 124 1HB ASP 124 67.254 52.423 71.004 974 H GLN 125 H GLN 125 65.085 52.103 67.231 975 HA GLN 125 HA GLN 125 67.277 50.060 67.135 976 1HB GLN 125 2HB GLN 125 64.301 49.551 66.859 977 2HB GLN 125 1HB GLN 125 65.269 48.697 65.613 978 1HG GLN 125 2HG GLN 125 66.515 47.462 67.305 979 2HG GLN 125 1HG GLN 125 65.742 48.469 68.612 980 1HE2 GLN 125 1HE2 GLN 125 65.678 45.614 67.863 981 2HE2 GLN 125 2HE2 GLN 125 63.861 45.178 67.725 982 H VAL 126 H VAL 126 64.630 51.297 65.471 983 HA VAL 126 HA VAL 126 64.617 53.051 64.091 984 HB VAL 126 HB VAL 126 67.393 52.198 62.966 985 1HG1 VAL 126 1HG1 VAL 126 66.426 53.393 61.235 986 2HG1 VAL 126 2HG1 VAL 126 66.985 54.772 62.269 987 3HG1 VAL 126 3HG1 VAL 126 65.219 54.236 62.288 988 1HG2 VAL 126 1HG2 VAL 126 66.381 53.737 65.321 989 2HG2 VAL 126 2HG2 VAL 126 67.355 54.772 64.260 990 3HG2 VAL 126 3HG2 VAL 126 68.074 53.270 64.957 991 H CYS 127 H CYS 127 63.510 53.143 61.892 992 HA CYS 127 HA CYS 127 63.857 50.541 60.293 993 1HB CYS 127 2HB CYS 127 61.238 52.074 60.190 994 2HB CYS 127 1HB CYS 127 61.501 50.311 60.166 995 HG CYS 127 HG CYS 127 61.452 49.925 62.639 996 H ARG 128 H ARG 128 62.317 51.247 58.231 997 HA ARG 128 HA ARG 128 63.115 54.016 57.424 998 1HB ARG 128 2HB ARG 128 65.136 52.655 56.910 999 2HB ARG 128 1HB ARG 128 64.120 51.538 55.824 1000 1HG ARG 128 2HG ARG 128 63.803 54.433 55.294 1001 2HG ARG 128 1HG ARG 128 65.417 53.847 54.875 1002 1HD ARG 128 2HD ARG 128 62.874 52.360 54.039 1003 2HD ARG 128 1HD ARG 128 63.555 53.728 53.037 1004 HE ARG 128 HE ARG 128 64.421 51.004 53.090 1005 1HH1 ARG 128 2HH1 ARG 128 65.743 54.330 52.915 1006 2HH1 ARG 128 1HH1 ARG 128 67.193 53.887 52.033 1007 1HH2 ARG 128 1HH2 ARG 128 66.324 50.444 51.956 1008 2HH2 ARG 128 2HH2 ARG 128 67.520 51.613 51.490 1009 H GLN 129 H GLN 129 61.615 54.871 56.415 1010 HA GLN 129 HA GLN 129 59.553 52.999 55.242 1011 1HB GLN 129 2HB GLN 129 58.968 55.066 56.695 1012 2HB GLN 129 1HB GLN 129 59.233 55.976 55.106 1013 1HG GLN 129 2HG GLN 129 57.153 55.588 54.674 1014 2HG GLN 129 1HG GLN 129 57.760 53.954 54.129 1015 1HE2 GLN 129 2HE2 GLN 129 58.341 52.924 56.756 1016 2HE2 GLN 129 1HE2 GLN 129 56.849 52.732 57.654 1017 H VAL 130 H VAL 130 59.032 52.831 53.033 1018 HA VAL 130 HA VAL 130 60.755 54.497 51.142 1019 HB VAL 130 HB VAL 130 59.607 51.626 50.588 1020 1HG1 VAL 130 1HG1 VAL 130 61.720 53.190 49.008 1021 2HG1 VAL 130 2HG1 VAL 130 59.955 53.359 48.583 1022 3HG1 VAL 130 3HG1 VAL 130 60.769 51.743 48.504 1023 1HG2 VAL 130 1HG2 VAL 130 62.521 52.315 50.652 1024 2HG2 VAL 130 2HG2 VAL 130 61.701 50.739 50.799 1025 3HG2 VAL 130 3HG2 VAL 130 61.658 51.868 52.195 1026 H PHE 131 H PHE 131 59.868 55.570 49.772 1027 HA PHE 131 HA PHE 131 56.896 55.526 49.261 1028 1HB PHE 131 2HB PHE 131 58.787 57.483 50.558 1029 2HB PHE 131 1HB PHE 131 57.681 58.233 49.281 1030 HD1 PHE 131 HD1 PHE 131 57.425 55.802 52.255 1031 HD2 PHE 131 HD2 PHE 131 55.830 59.126 50.041 1032 HE1 PHE 131 HE1 PHE 131 55.491 56.039 53.900 1033 HE2 PHE 131 HE2 PHE 131 54.017 59.313 51.614 1034 HZ PHE 131 HZ PHE 131 53.852 57.709 53.601 1035 H LYS 132 H LYS 132 56.300 56.793 47.333 1036 HA LYS 132 HA LYS 132 58.275 57.986 45.613 1037 1HB LYS 132 2HB LYS 132 58.188 56.147 43.807 1038 2HB LYS 132 1HB LYS 132 59.114 55.691 45.259 1039 1HG LYS 132 2HG LYS 132 57.776 53.895 45.620 1040 2HG LYS 132 1HG LYS 132 56.239 54.893 45.621 1041 1HD LYS 132 2HD LYS 132 57.582 54.438 42.972 1042 2HD LYS 132 1HD LYS 132 56.649 53.036 43.685 1043 1HE LYS 132 2HE LYS 132 54.722 54.794 43.997 1044 2HE LYS 132 1HE LYS 132 55.726 55.930 43.044 1045 1HZ LYS 132 1HZ LYS 132 55.561 54.426 41.217 1046 2HZ LYS 132 2HZ LYS 132 54.011 54.511 41.912 1047 3HZ LYS 132 3HZ LYS 132 55.013 53.159 42.091 1048 H LYS 133 H LYS 133 57.423 58.133 43.481 1049 HA LYS 133 HA LYS 133 55.265 57.673 42.014 1050 1HB LYS 133 2HB LYS 133 53.688 57.291 43.777 1051 2HB LYS 133 1HB LYS 133 54.179 58.892 44.478 1052 1HG LYS 133 2HG LYS 133 52.745 60.050 43.007 1053 2HG LYS 133 1HG LYS 133 53.184 58.946 41.600 1054 1HD LYS 133 2HD LYS 133 51.393 57.596 41.973 1055 2HD LYS 133 1HD LYS 133 51.476 57.812 43.795 1056 1HE LYS 133 2HE LYS 133 50.281 59.812 43.715 1057 2HE LYS 133 1HE LYS 133 50.891 60.161 42.001 1058 1HZ LYS 133 1HZ LYS 133 49.312 58.778 41.153 1059 2HZ LYS 133 2HZ LYS 133 48.419 59.454 42.333 1060 3HZ LYS 133 3HZ LYS 133 49.047 57.884 42.540 1061 H LYS 134 H LYS 134 54.627 60.602 43.875 1062 HA LYS 134 HA LYS 134 54.178 62.493 42.128 1063 1HB LYS 134 2HB LYS 134 55.565 64.078 43.571 1064 2HB LYS 134 1HB LYS 134 54.622 62.911 44.506 1065 1HG LYS 134 2HG LYS 134 57.488 62.112 43.764 1066 2HG LYS 134 1HG LYS 134 57.280 63.449 44.974 1067 1HD LYS 134 2HD LYS 134 55.697 61.751 46.181 1068 2HD LYS 134 1HD LYS 134 56.294 60.554 44.915 1069 1HE LYS 134 2HE LYS 134 57.589 60.724 47.202 1070 2HE LYS 134 1HE LYS 134 58.399 60.440 45.553 1071 1HZ LYS 134 1HZ LYS 134 58.998 62.689 45.421 1072 2HZ LYS 134 2HZ LYS 134 59.593 62.140 46.867 1073 3HZ LYS 134 3HZ LYS 134 58.253 63.090 46.877 1074 1H2 RTL 135 1H2 RET 135 46.229 51.423 59.053 1075 2H2 RTL 135 2H2 RET 135 46.771 52.240 60.427 1076 1H3 RTL 135 1H3 RET 135 46.787 50.014 61.280 1077 2H3 RTL 135 2H3 RET 135 46.959 49.294 59.775 1078 1H4 RTL 135 1H4 RET 135 49.175 48.937 60.083 1079 2H4 RTL 135 2H4 RET 135 48.904 49.453 61.696 1080 H7 RTL 135 H7 RET 135 51.394 52.605 58.941 1081 H8 RTL 135 H8 RET 135 49.347 54.611 60.166 1082 H10 RTL 135 H10 RET 135 49.770 56.315 58.166 1083 H11 RTL 135 H11 RET 135 52.479 57.133 57.605 1084 H12 RTL 135 H12 RET 135 50.533 59.150 58.955 1085 H14 RTL 135 H14 RET 135 50.678 60.747 56.856 1086 1H15 RTL 135 1H15 RET 135 52.010 62.474 55.791 1087 2H15 RTL 135 2H15 RET 135 53.512 61.684 56.325 1088 HO1 RTL 135 H51 RET 135 51.774 63.275 57.843 1089 1H16 RTL 135 1H16 RET 135 47.722 50.542 57.334 1090 2H16 RTL 135 2H16 RET 135 49.468 50.737 57.493 1091 3H16 RTL 135 3H16 RET 135 48.485 52.002 56.766 1092 1H17 RTL 135 1H17 RET 135 48.918 53.604 57.714 1093 2H17 RTL 135 2H17 RET 135 47.846 54.021 59.009 1094 3H17 RTL 135 3H17 RET 135 47.183 53.228 57.545 1095 1H18 RTL 135 1H18 RET 135 51.026 49.601 61.669 1096 2H18 RTL 135 2H18 RET 135 50.996 51.262 62.225 1097 3H18 RTL 135 3H18 RET 135 51.913 50.765 60.727 1098 1H19 RTL 135 1H19 RET 135 52.709 54.223 60.340 1099 2H19 RTL 135 2H19 RET 135 52.549 55.882 60.914 1100 3H19 RTL 135 3H19 RET 135 53.278 55.507 59.283 1101 1H20 RTL 135 1H20 RET 135 53.804 59.009 59.131 1102 2H20 RTL 135 2H20 RET 135 54.007 60.753 58.810 1103 3H20 RTL 135 3H20 RET 135 54.299 59.555 57.543
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