NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
1888 | 1b4m | 4681 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 2H MET 1 61.194 76.303 46.387 2 2H MET 1 1H MET 1 62.663 75.961 45.726 3 3H MET 1 3H MET 1 62.080 74.982 46.942 4 HA MET 1 HA MET 1 63.652 76.198 48.097 5 1HB MET 1 2HB MET 1 62.909 78.202 46.009 6 2HB MET 1 1HB MET 1 62.710 78.941 47.622 7 1HG MET 1 2HG MET 1 65.219 77.340 47.536 8 2HG MET 1 1HG MET 1 65.223 78.375 46.169 9 1HE MET 1 1HE MET 1 63.789 80.896 46.595 10 2HE MET 1 3HE MET 1 64.815 82.011 47.625 11 3HE MET 1 2HE MET 1 65.531 81.254 46.286 12 H THR 2 H THR 2 60.537 75.668 48.079 13 HA THR 2 HA THR 2 60.168 76.948 50.724 14 HB THR 2 HB THR 2 57.729 77.099 48.993 15 HG1 THR 2 1HG THR 2 59.670 79.071 48.555 16 1HG2 THR 2 2HG2 THR 2 59.446 78.864 50.957 17 2HG2 THR 2 1HG2 THR 2 58.068 79.641 50.120 18 3HG2 THR 2 3HG2 THR 2 57.753 78.323 51.276 19 H LYS 3 H LYS 3 58.616 76.057 51.952 20 HA LYS 3 HA LYS 3 58.251 73.148 51.600 21 1HB LYS 3 2HB LYS 3 56.501 73.444 53.507 22 2HB LYS 3 1HB LYS 3 58.210 73.838 53.878 23 1HG LYS 3 2HG LYS 3 56.727 76.136 52.670 24 2HG LYS 3 1HG LYS 3 55.818 75.390 54.045 25 1HD LYS 3 2HD LYS 3 57.303 76.224 55.606 26 2HD LYS 3 1HD LYS 3 58.715 75.648 54.621 27 1HE LYS 3 2HE LYS 3 58.797 78.089 54.991 28 2HE LYS 3 1HE LYS 3 58.534 77.635 53.206 29 1HZ LYS 3 3HZ LYS 3 56.018 77.833 54.032 30 2HZ LYS 3 2HZ LYS 3 56.737 78.943 55.083 31 3HZ LYS 3 1HZ LYS 3 56.835 79.142 53.449 32 H ASP 4 H ASP 4 57.380 73.424 49.262 33 HA ASP 4 HA ASP 4 54.544 72.566 49.474 34 1HB ASP 4 2HB ASP 4 55.148 74.876 47.508 35 2HB ASP 4 1HB ASP 4 53.579 74.057 48.019 36 H GLN 5 H GLN 5 55.995 70.605 48.837 37 HA GLN 5 HA GLN 5 56.735 70.761 45.923 38 1HB GLN 5 2HB GLN 5 57.467 68.757 48.229 39 2HB GLN 5 1HB GLN 5 58.179 68.755 46.549 40 1HG GLN 5 2HG GLN 5 58.365 71.393 47.861 41 2HG GLN 5 1HG GLN 5 59.274 69.992 48.740 42 1HE2 GLN 5 2HE2 GLN 5 61.893 70.978 46.666 43 2HE2 GLN 5 1HE2 GLN 5 61.165 71.193 48.280 44 H ASN 6 H ASN 6 54.357 70.427 47.606 45 HA ASN 6 HA ASN 6 52.839 68.431 47.889 46 1HB ASN 6 2HB ASN 6 51.695 69.774 45.443 47 2HB ASN 6 1HB ASN 6 50.955 69.548 47.148 48 1HD2 ASN 6 1HD2 ASN 6 51.879 72.724 48.204 49 2HD2 ASN 6 2HD2 ASN 6 50.942 71.080 48.432 50 H GLY 7 H GLY 7 52.556 66.464 47.305 51 1HA GLY 7 1HA GLY 7 52.020 65.660 44.531 52 2HA GLY 7 2HA GLY 7 53.668 65.213 45.071 53 H THR 8 H THR 8 53.586 63.208 45.261 54 HA THR 8 HA THR 8 52.181 62.007 47.537 55 HB THR 8 HB THR 8 51.407 60.032 45.812 56 HG1 THR 8 1HG THR 8 52.023 60.808 43.888 57 1HG2 THR 8 1HG2 THR 8 50.066 61.931 47.228 58 2HG2 THR 8 3HG2 THR 8 49.988 62.845 45.650 59 3HG2 THR 8 2HG2 THR 8 49.221 61.244 45.751 60 H TRP 9 H TRP 9 52.829 59.835 47.741 61 HA TRP 9 HA TRP 9 55.256 58.888 46.355 62 1HB TRP 9 2HB TRP 9 56.100 59.100 49.125 63 2HB TRP 9 1HB TRP 9 56.993 59.454 47.602 64 HD1 TRP 9 HD1 TRP 9 53.996 61.223 49.324 65 HE1 TRP 9 HE1 TRP 9 54.386 63.808 49.481 66 HE3 TRP 9 HE3 TRP 9 58.352 61.083 47.317 67 HZ2 TRP 9 HZ2 TRP 9 56.480 65.371 48.719 68 HZ3 TRP 9 HZ3 TRP 9 59.691 63.257 46.992 69 HH2 TRP 9 HH2 TRP 9 58.751 65.291 47.680 70 H GLU 10 H GLU 10 54.570 56.986 45.911 71 HA GLU 10 HA GLU 10 52.863 55.389 47.511 72 1HB GLU 10 2HB GLU 10 55.127 54.568 45.560 73 2HB GLU 10 1HB GLU 10 53.836 53.460 46.204 74 1HG GLU 10 2HG GLU 10 52.310 55.593 45.344 75 2HG GLU 10 1HG GLU 10 53.808 55.706 44.217 76 H MET 11 H MET 11 56.229 56.038 47.979 77 HA MET 11 HA MET 11 57.816 55.204 49.643 78 1HB MET 11 2HB MET 11 55.454 55.303 51.076 79 2HB MET 11 1HB MET 11 55.492 53.523 50.720 80 1HG MET 11 2HG MET 11 57.807 53.382 51.756 81 2HG MET 11 1HG MET 11 57.653 55.092 52.116 82 1HE MET 11 2HE MET 11 55.949 56.169 53.580 83 2HE MET 11 1HE MET 11 55.109 55.359 54.986 84 3HE MET 11 3HE MET 11 56.895 55.517 54.870 85 H GLU 12 H GLU 12 58.666 54.371 47.911 86 HA GLU 12 HA GLU 12 58.196 52.043 46.498 87 1HB GLU 12 2HB GLU 12 60.408 52.275 45.589 88 2HB GLU 12 1HB GLU 12 60.006 53.902 46.224 89 1HG GLU 12 2HG GLU 12 62.087 53.674 47.248 90 2HG GLU 12 1HG GLU 12 61.094 52.680 48.507 91 H SER 13 H SER 13 59.380 52.330 49.803 92 HA SER 13 HA SER 13 58.971 49.468 50.294 93 1HB SER 13 2HB SER 13 61.743 50.599 49.582 94 2HB SER 13 1HB SER 13 61.556 49.375 50.958 95 HG SER 13 HG SER 13 60.564 48.059 49.449 96 H ASN 14 H ASN 14 59.529 48.816 52.266 97 HA ASN 14 HA ASN 14 60.079 51.005 54.209 98 1HB ASN 14 2HB ASN 14 58.406 48.912 55.443 99 2HB ASN 14 1HB ASN 14 57.906 50.646 55.103 100 1HD2 ASN 14 1HD2 ASN 14 57.235 47.605 52.356 101 2HD2 ASN 14 2HD2 ASN 14 58.522 47.518 53.737 102 H GLU 15 H GLU 15 61.616 50.758 55.410 103 HA GLU 15 HA GLU 15 62.977 48.183 55.387 104 1HB GLU 15 2HB GLU 15 64.144 50.497 55.794 105 2HB GLU 15 1HB GLU 15 63.356 50.513 57.421 106 1HG GLU 15 2HG GLU 15 64.435 48.370 58.045 107 2HG GLU 15 1HG GLU 15 65.491 48.596 56.464 108 H ASN 16 H ASN 16 61.602 50.117 58.116 109 HA ASN 16 HA ASN 16 60.878 47.540 59.490 110 1HB ASN 16 2HB ASN 16 62.673 49.096 60.604 111 2HB ASN 16 1HB ASN 16 61.271 50.298 60.765 112 1HD2 ASN 16 1HD2 ASN 16 60.837 48.864 63.870 113 2HD2 ASN 16 2HD2 ASN 16 61.496 50.319 62.812 114 H PHE 17 H PHE 17 58.765 47.263 60.027 115 HA PHE 17 HA PHE 17 56.968 49.717 59.593 116 1HB PHE 17 2HB PHE 17 56.936 47.992 57.676 117 2HB PHE 17 1HB PHE 17 56.462 46.748 58.932 118 HD1 PHE 17 HD1 PHE 17 55.476 50.345 58.511 119 HD2 PHE 17 HD2 PHE 17 54.296 46.242 58.336 120 HE1 PHE 17 HE1 PHE 17 53.113 50.967 58.196 121 HE2 PHE 17 HE2 PHE 17 51.870 46.901 58.023 122 HZ PHE 17 HZ PHE 17 51.252 49.254 57.942 123 H GLU 18 H GLU 18 56.871 46.329 60.816 124 HA GLU 18 HA GLU 18 54.768 47.042 62.749 125 1HB GLU 18 2HB GLU 18 54.639 44.849 62.129 126 2HB GLU 18 1HB GLU 18 56.391 44.640 61.880 127 1HG GLU 18 2HG GLU 18 55.582 43.266 63.777 128 2HG GLU 18 1HG GLU 18 56.642 44.656 64.528 129 H GLY 19 H GLY 19 58.252 46.512 62.780 130 1HA GLY 19 1HA GLY 19 58.747 46.410 65.619 131 2HA GLY 19 2HA GLY 19 59.873 47.061 64.407 132 H TYR 20 H TYR 20 57.833 49.273 63.549 133 HA TYR 20 HA TYR 20 58.805 51.120 65.627 134 1HB TYR 20 2HB TYR 20 58.732 52.106 63.485 135 2HB TYR 20 1HB TYR 20 57.233 51.146 63.015 136 HD1 TYR 20 HD1 TYR 20 58.167 53.719 65.627 137 HD2 TYR 20 HD2 TYR 20 55.501 52.280 62.572 138 HE1 TYR 20 HE1 TYR 20 56.668 55.728 66.034 139 HE2 TYR 20 HE2 TYR 20 53.991 54.175 62.909 140 HH TYR 20 HH TYR 20 54.876 56.943 64.535 141 H MET 21 H MET 21 55.755 49.483 64.694 142 HA MET 21 HA MET 21 54.194 50.873 66.742 143 1HB MET 21 2HB MET 21 53.869 48.796 64.492 144 2HB MET 21 1HB MET 21 53.029 48.420 65.997 145 1HG MET 21 2HG MET 21 52.140 50.945 65.964 146 2HG MET 21 1HG MET 21 52.799 51.066 64.357 147 1HE MET 21 2HE MET 21 52.255 50.131 62.379 148 2HE MET 21 1HE MET 21 52.258 48.344 62.669 149 3HE MET 21 3HE MET 21 50.885 49.231 61.892 150 H LYS 22 H LYS 22 56.318 48.340 66.446 151 HA LYS 22 HA LYS 22 55.522 46.783 68.757 152 1HB LYS 22 2HB LYS 22 56.972 46.106 66.492 153 2HB LYS 22 1HB LYS 22 58.336 46.776 67.534 154 1HG LYS 22 2HG LYS 22 56.761 45.204 69.220 155 2HG LYS 22 1HG LYS 22 56.803 44.230 67.674 156 1HD LYS 22 2HD LYS 22 59.296 45.448 69.119 157 2HD LYS 22 1HD LYS 22 58.791 43.668 69.157 158 1HE LYS 22 2HE LYS 22 58.859 44.027 66.467 159 2HE LYS 22 1HE LYS 22 59.992 45.376 66.911 160 1HZ LYS 22 1HZ LYS 22 61.174 43.829 68.324 161 2HZ LYS 22 3HZ LYS 22 60.302 42.541 67.731 162 3HZ LYS 22 2HZ LYS 22 61.301 43.369 66.719 163 H ALA 23 H ALA 23 57.783 49.185 68.001 164 HA ALA 23 HA ALA 23 59.416 49.008 70.384 165 1HB ALA 23 3HB ALA 23 58.972 51.072 68.233 166 2HB ALA 23 2HB ALA 23 59.899 51.506 69.795 167 3HB ALA 23 1HB ALA 23 60.471 50.177 68.732 168 H LEU 24 H LEU 24 56.487 50.648 69.617 169 HA LEU 24 HA LEU 24 56.432 51.944 72.357 170 1HB LEU 24 2HB LEU 24 54.577 53.299 71.578 171 2HB LEU 24 1HB LEU 24 55.749 53.181 70.186 172 HG LEU 24 HG LEU 24 54.264 51.110 69.462 173 1HD1 LEU 24 2HD1 LEU 24 52.585 52.324 71.656 174 2HD1 LEU 24 1HD1 LEU 24 51.750 52.021 70.095 175 3HD1 LEU 24 3HD1 LEU 24 52.616 50.665 70.953 176 1HD2 LEU 24 2HD2 LEU 24 54.517 53.511 68.398 177 2HD2 LEU 24 1HD2 LEU 24 53.169 52.410 67.885 178 3HD2 LEU 24 3HD2 LEU 24 52.819 53.754 69.016 179 H ASP 25 H ASP 25 55.827 49.176 70.910 180 HA ASP 25 HA ASP 25 54.483 47.243 71.325 181 1HB ASP 25 2HB ASP 25 55.944 47.759 73.471 182 2HB ASP 25 1HB ASP 25 54.448 48.497 74.176 183 H ILE 26 H ILE 26 53.005 48.164 70.061 184 HA ILE 26 HA ILE 26 50.666 49.397 71.332 185 HB ILE 26 HB ILE 26 51.361 50.175 69.099 186 1HG1 ILE 26 2HG1 ILE 26 48.700 48.612 68.967 187 2HG1 ILE 26 1HG1 ILE 26 48.950 50.215 69.757 188 1HG2 ILE 26 3HG2 ILE 26 52.137 47.778 68.256 189 2HG2 ILE 26 2HG2 ILE 26 50.347 47.411 68.100 190 3HG2 ILE 26 1HG2 ILE 26 51.095 48.706 67.091 191 1HD1 ILE 26 1HD1 ILE 26 50.090 50.829 67.346 192 2HD1 ILE 26 3HD1 ILE 26 48.937 49.577 66.774 193 3HD1 ILE 26 2HD1 ILE 26 48.298 51.010 67.609 194 H ASP 27 H ASP 27 51.489 46.371 69.590 195 HA ASP 27 HA ASP 27 50.027 44.793 71.431 196 1HB ASP 27 2HB ASP 27 48.164 46.126 69.840 197 2HB ASP 27 1HB ASP 27 48.430 44.601 68.834 198 H PHE 28 H PHE 28 52.514 44.771 69.757 199 HA PHE 28 HA PHE 28 53.628 43.456 68.260 200 1HB PHE 28 2HB PHE 28 52.437 41.413 70.337 201 2HB PHE 28 1HB PHE 28 53.939 41.169 69.379 202 HD1 PHE 28 HD1 PHE 28 54.538 44.326 69.802 203 HD2 PHE 28 HD2 PHE 28 53.813 40.951 72.327 204 HE1 PHE 28 HE1 PHE 28 55.897 45.406 71.740 205 HE2 PHE 28 HE2 PHE 28 55.123 41.960 74.151 206 HZ PHE 28 HZ PHE 28 56.179 44.248 73.828 207 H ALA 29 H ALA 29 51.185 43.878 67.181 208 HA ALA 29 HA ALA 29 50.980 41.613 65.218 209 1HB ALA 29 3HB ALA 29 49.412 41.378 67.456 210 2HB ALA 29 2HB ALA 29 48.512 42.677 66.597 211 3HB ALA 29 1HB ALA 29 48.706 41.054 65.781 212 H THR 30 H THR 30 49.400 42.116 63.742 213 HA THR 30 HA THR 30 48.272 43.522 62.277 214 HB THR 30 HB THR 30 48.278 45.285 64.207 215 HG1 THR 30 1HG THR 30 46.837 45.729 62.733 216 1HG2 THR 30 2HG2 THR 30 50.785 45.940 63.079 217 2HG2 THR 30 1HG2 THR 30 49.705 46.804 61.907 218 3HG2 THR 30 3HG2 THR 30 49.599 47.217 63.705 219 H ARG 31 H ARG 31 51.302 42.926 62.877 220 HA ARG 31 HA ARG 31 52.704 44.059 60.578 221 1HB ARG 31 2HB ARG 31 54.625 43.059 61.342 222 2HB ARG 31 1HB ARG 31 53.749 43.298 62.907 223 1HG ARG 31 2HG ARG 31 53.361 40.587 61.495 224 2HG ARG 31 1HG ARG 31 54.977 40.982 62.195 225 1HD ARG 31 2HD ARG 31 53.978 41.234 64.412 226 2HD ARG 31 1HD ARG 31 52.348 41.621 63.764 227 HE ARG 31 HE ARG 31 51.848 39.364 63.680 228 1HH1 ARG 31 2HH2 ARG 31 55.359 39.742 64.146 229 2HH1 ARG 31 1HH2 ARG 31 55.678 38.028 64.468 230 1HH2 ARG 31 2HH1 ARG 31 52.214 37.245 64.099 231 2HH2 ARG 31 1HH1 ARG 31 53.786 36.528 64.472 232 H LYS 32 H LYS 32 50.481 41.536 61.184 233 HA LYS 32 HA LYS 32 51.372 39.913 58.826 234 1HB LYS 32 2HB LYS 32 49.047 39.397 60.712 235 2HB LYS 32 1HB LYS 32 49.957 38.242 59.683 236 1HG LYS 32 2HG LYS 32 51.788 39.539 61.639 237 2HG LYS 32 1HG LYS 32 50.433 38.800 62.509 238 1HD LYS 32 2HD LYS 32 51.872 37.214 60.283 239 2HD LYS 32 1HD LYS 32 52.438 37.281 61.989 240 1HE LYS 32 2HE LYS 32 50.986 35.494 62.373 241 2HE LYS 32 1HE LYS 32 49.678 36.794 62.253 242 1HZ LYS 32 1HZ LYS 32 49.653 36.346 59.818 243 2HZ LYS 32 3HZ LYS 32 50.792 35.176 60.125 244 3HZ LYS 32 2HZ LYS 32 49.244 35.027 60.768 245 H ILE 33 H ILE 33 49.248 42.434 59.870 246 HA ILE 33 HA ILE 33 47.503 41.710 57.556 247 HB ILE 33 HB ILE 33 46.847 43.216 60.203 248 1HG1 ILE 33 2HG1 ILE 33 44.864 41.235 59.637 249 2HG1 ILE 33 1HG1 ILE 33 46.411 40.537 59.022 250 1HG2 ILE 33 3HG2 ILE 33 45.070 42.983 57.671 251 2HG2 ILE 33 2HG2 ILE 33 44.499 43.454 59.317 252 3HG2 ILE 33 1HG2 ILE 33 45.746 44.454 58.458 253 1HD1 ILE 33 1HD1 ILE 33 46.555 41.891 61.814 254 2HD1 ILE 33 3HD1 ILE 33 45.564 40.399 61.683 255 3HD1 ILE 33 2HD1 ILE 33 47.306 40.370 61.197 256 H ALA 34 H ALA 34 48.636 44.548 59.445 257 HA ALA 34 HA ALA 34 47.834 46.448 57.397 258 1HB ALA 34 1HB ALA 34 48.885 46.693 60.033 259 2HB ALA 34 3HB ALA 34 50.214 47.290 59.003 260 3HB ALA 34 2HB ALA 34 48.560 47.997 58.800 261 H VAL 35 H VAL 35 50.321 44.200 57.473 262 HA VAL 35 HA VAL 35 52.678 44.788 56.627 263 HB VAL 35 HB VAL 35 50.822 43.230 54.778 264 1HG1 VAL 35 3HG1 VAL 35 53.739 43.974 54.700 265 2HG1 VAL 35 2HG1 VAL 35 53.440 42.249 54.296 266 3HG1 VAL 35 1HG1 VAL 35 52.652 43.520 53.326 267 1HG2 VAL 35 2HG2 VAL 35 51.003 42.286 57.086 268 2HG2 VAL 35 1HG2 VAL 35 51.743 41.201 55.853 269 3HG2 VAL 35 3HG2 VAL 35 52.836 42.306 56.866 270 H ARG 36 H ARG 36 50.009 45.293 54.550 271 HA ARG 36 HA ARG 36 50.576 47.733 53.312 272 1HB ARG 36 2HB ARG 36 52.723 46.903 52.462 273 2HB ARG 36 1HB ARG 36 51.904 45.396 51.847 274 1HG ARG 36 2HG ARG 36 51.722 46.480 49.829 275 2HG ARG 36 1HG ARG 36 50.559 47.690 50.627 276 1HD ARG 36 2HD ARG 36 52.072 49.099 50.019 277 2HD ARG 36 1HD ARG 36 52.888 48.689 51.569 278 HE ARG 36 HE ARG 36 54.504 47.335 50.408 279 1HH1 ARG 36 2HH2 ARG 36 52.042 48.456 47.956 280 2HH1 ARG 36 1HH2 ARG 36 53.132 47.844 46.677 281 1HH2 ARG 36 2HH1 ARG 36 55.696 46.657 48.741 282 2HH2 ARG 36 1HH1 ARG 36 55.079 46.864 47.093 283 H LEU 37 H LEU 37 48.726 48.256 52.764 284 HA LEU 37 HA LEU 37 47.475 46.639 50.649 285 1HB LEU 37 2HB LEU 37 45.172 47.265 51.985 286 2HB LEU 37 1HB LEU 37 46.014 45.692 52.241 287 HG LEU 37 HG LEU 37 46.641 48.201 53.870 288 1HD1 LEU 37 2HD1 LEU 37 44.342 46.355 53.920 289 2HD1 LEU 37 1HD1 LEU 37 45.003 46.744 55.539 290 3HD1 LEU 37 3HD1 LEU 37 44.454 48.111 54.473 291 1HD2 LEU 37 2HD2 LEU 37 47.694 45.497 53.688 292 2HD2 LEU 37 1HD2 LEU 37 48.060 46.600 55.128 293 3HD2 LEU 37 3HD2 LEU 37 46.641 45.504 55.155 294 H THR 38 H THR 38 48.598 48.344 49.756 295 HA THR 38 HA THR 38 48.357 49.986 48.183 296 HB THR 38 HB THR 38 46.178 51.216 49.972 297 HG1 THR 38 1HG THR 38 44.811 50.006 48.890 298 1HG2 THR 38 2HG2 THR 38 46.983 51.497 46.931 299 2HG2 THR 38 1HG2 THR 38 45.417 52.095 47.623 300 3HG2 THR 38 3HG2 THR 38 46.946 52.772 48.237 301 H GLN 39 H GLN 39 48.964 50.562 51.567 302 HA GLN 39 HA GLN 39 49.512 52.902 52.283 303 1HB GLN 39 2HB GLN 39 50.651 50.841 53.172 304 2HB GLN 39 1HB GLN 39 51.840 51.000 51.768 305 1HG GLN 39 2HG GLN 39 52.750 53.001 52.524 306 2HG GLN 39 1HG GLN 39 51.216 53.388 53.495 307 1HE2 GLN 39 2HE2 GLN 39 52.023 51.535 56.323 308 2HE2 GLN 39 1HE2 GLN 39 50.845 52.328 55.293 309 H THR 40 H THR 40 49.280 54.362 51.003 310 HA THR 40 HA THR 40 51.503 55.309 49.245 311 HB THR 40 HB THR 40 48.554 56.179 49.313 312 HG1 THR 40 1HG THR 40 49.448 55.237 46.954 313 1HG2 THR 40 2HG2 THR 40 50.993 57.010 47.550 314 2HG2 THR 40 1HG2 THR 40 49.271 57.428 47.170 315 3HG2 THR 40 3HG2 THR 40 50.058 58.074 48.687 316 H LYS 41 H LYS 41 52.760 56.417 50.395 317 HA LYS 41 HA LYS 41 51.679 58.209 52.559 318 1HB LYS 41 2HB LYS 41 54.047 57.480 52.934 319 2HB LYS 41 1HB LYS 41 54.508 58.090 51.255 320 1HG LYS 41 2HG LYS 41 53.205 59.999 53.178 321 2HG LYS 41 1HG LYS 41 54.911 59.458 53.584 322 1HD LYS 41 2HD LYS 41 55.025 59.959 50.804 323 2HD LYS 41 1HD LYS 41 53.805 61.198 51.360 324 1HE LYS 41 2HE LYS 41 56.517 60.886 52.738 325 2HE LYS 41 1HE LYS 41 56.154 62.029 51.333 326 1HZ LYS 41 2HZ LYS 41 54.611 61.818 53.852 327 2HZ LYS 41 1HZ LYS 41 55.853 62.971 53.668 328 3HZ LYS 41 3HZ LYS 41 54.476 63.031 52.749 329 H ILE 42 H ILE 42 51.316 60.319 52.558 330 HA ILE 42 HA ILE 42 51.706 61.771 49.909 331 HB ILE 42 HB ILE 42 49.059 61.639 51.553 332 1HG1 ILE 42 2HG1 ILE 42 48.900 61.113 48.709 333 2HG1 ILE 42 1HG1 ILE 42 50.142 60.005 49.385 334 1HG2 ILE 42 1HG2 ILE 42 49.832 63.249 49.026 335 2HG2 ILE 42 3HG2 ILE 42 48.178 62.857 49.477 336 3HG2 ILE 42 2HG2 ILE 42 49.189 63.887 50.581 337 1HD1 ILE 42 3HD1 ILE 42 48.088 59.864 51.323 338 2HD1 ILE 42 2HD1 ILE 42 47.130 60.024 49.753 339 3HD1 ILE 42 1HD1 ILE 42 48.286 58.665 50.026 340 H ILE 43 H ILE 43 51.428 63.979 49.985 341 HA ILE 43 HA ILE 43 51.917 65.312 52.686 342 HB ILE 43 HB ILE 43 53.817 64.681 51.210 343 1HG1 ILE 43 2HG1 ILE 43 53.565 67.720 51.242 344 2HG1 ILE 43 1HG1 ILE 43 53.582 66.734 52.819 345 1HG2 ILE 43 1HG2 ILE 43 52.737 65.187 48.967 346 2HG2 ILE 43 3HG2 ILE 43 52.660 66.941 49.412 347 3HG2 ILE 43 2HG2 ILE 43 54.304 66.128 49.209 348 1HD1 ILE 43 2HD1 ILE 43 55.694 65.933 50.893 349 2HD1 ILE 43 1HD1 ILE 43 55.845 67.683 51.465 350 3HD1 ILE 43 3HD1 ILE 43 55.875 66.327 52.634 351 H VAL 44 H VAL 44 50.798 67.223 52.872 352 HA VAL 44 HA VAL 44 49.149 67.985 50.431 353 HB VAL 44 HB VAL 44 48.445 67.805 53.357 354 1HG1 VAL 44 2HG1 VAL 44 47.661 70.122 51.500 355 2HG1 VAL 44 1HG1 VAL 44 46.476 69.508 52.717 356 3HG1 VAL 44 3HG1 VAL 44 48.051 70.142 53.274 357 1HG2 VAL 44 2HG2 VAL 44 47.587 66.308 51.391 358 2HG2 VAL 44 1HG2 VAL 44 46.280 67.048 52.368 359 3HG2 VAL 44 3HG2 VAL 44 46.711 67.774 50.785 360 H GLN 45 H GLN 45 50.135 69.680 53.555 361 HA GLN 45 HA GLN 45 51.002 71.668 53.884 362 1HB GLN 45 2HB GLN 45 52.137 71.024 51.206 363 2HB GLN 45 1HB GLN 45 52.082 72.800 51.599 364 1HG GLN 45 2HG GLN 45 53.624 72.616 53.234 365 2HG GLN 45 1HG GLN 45 52.863 71.028 53.864 366 1HE2 GLN 45 1HE2 GLN 45 55.778 69.546 52.712 367 2HE2 GLN 45 2HE2 GLN 45 54.766 70.168 54.159 368 H ASP 46 H ASP 46 50.328 73.499 54.201 369 HA ASP 46 HA ASP 46 48.414 74.542 52.189 370 1HB ASP 46 2HB ASP 46 47.028 73.605 53.850 371 2HB ASP 46 1HB ASP 46 48.197 74.099 55.215 372 H GLY 47 H GLY 47 50.819 75.343 54.628 373 1HA GLY 47 1HA GLY 47 51.958 77.573 53.864 374 2HA GLY 47 2HA GLY 47 50.346 78.335 54.373 375 H ASP 48 H ASP 48 49.646 77.585 56.451 376 HA ASP 48 HA ASP 48 51.982 77.954 58.308 377 1HB ASP 48 2HB ASP 48 48.886 78.165 58.794 378 2HB ASP 48 1HB ASP 48 50.258 78.668 59.987 379 H ASN 49 H ASN 49 49.912 75.732 57.161 380 HA ASN 49 HA ASN 49 50.074 73.752 59.474 381 1HB ASN 49 2HB ASN 49 48.055 73.677 57.154 382 2HB ASN 49 1HB ASN 49 48.023 72.836 58.799 383 1HD2 ASN 49 2HD2 ASN 49 45.717 75.753 58.812 384 2HD2 ASN 49 1HD2 ASN 49 45.902 74.139 57.848 385 H PHE 50 H PHE 50 49.766 71.538 58.636 386 HA PHE 50 HA PHE 50 50.663 70.783 56.093 387 1HB PHE 50 2HB PHE 50 52.835 71.596 56.718 388 2HB PHE 50 1HB PHE 50 52.791 70.738 58.324 389 HD1 PHE 50 HD2 PHE 50 51.488 69.284 55.188 390 HD2 PHE 50 HD1 PHE 50 54.765 69.403 57.990 391 HE1 PHE 50 HE2 PHE 50 52.323 67.258 54.137 392 HE2 PHE 50 HE1 PHE 50 55.689 67.335 56.947 393 HZ PHE 50 HZ PHE 50 54.492 66.300 55.076 394 H LYS 51 H LYS 51 49.521 68.870 55.740 395 HA LYS 51 HA LYS 51 49.775 66.991 58.014 396 1HB LYS 51 2HB LYS 51 47.173 67.154 56.456 397 2HB LYS 51 1HB LYS 51 47.437 66.496 58.109 398 1HG LYS 51 2HG LYS 51 46.787 68.513 59.003 399 2HG LYS 51 1HG LYS 51 48.180 69.332 58.231 400 1HD LYS 51 2HD LYS 51 46.713 69.336 56.118 401 2HD LYS 51 1HD LYS 51 45.318 68.884 57.239 402 1HE LYS 51 2HE LYS 51 46.084 70.849 58.650 403 2HE LYS 51 1HE LYS 51 47.155 71.392 57.233 404 1HZ LYS 51 3HZ LYS 51 44.845 71.180 56.031 405 2HZ LYS 51 2HZ LYS 51 44.207 71.226 57.581 406 3HZ LYS 51 1HZ LYS 51 45.134 72.502 56.999 407 H THR 52 H THR 52 51.357 65.994 56.792 408 HA THR 52 HA THR 52 50.823 64.685 54.198 409 HB THR 52 HB THR 52 52.816 64.542 56.496 410 HG1 THR 52 1HG THR 52 52.953 63.883 53.811 411 1HG2 THR 52 2HG2 THR 52 52.028 61.897 54.991 412 2HG2 THR 52 1HG2 THR 52 53.540 62.153 55.970 413 3HG2 THR 52 3HG2 THR 52 51.873 62.169 56.721 414 H LYS 53 H LYS 53 50.075 62.614 53.688 415 HA LYS 53 HA LYS 53 48.943 61.228 56.098 416 1HB LYS 53 2HB LYS 53 46.711 61.746 55.661 417 2HB LYS 53 1HB LYS 53 47.400 63.019 54.586 418 1HG LYS 53 2HG LYS 53 47.359 60.882 52.844 419 2HG LYS 53 1HG LYS 53 45.994 60.431 54.029 420 1HD LYS 53 2HD LYS 53 45.143 61.745 52.153 421 2HD LYS 53 1HD LYS 53 45.133 62.713 53.747 422 1HE LYS 53 2HE LYS 53 47.732 63.108 52.474 423 2HE LYS 53 1HE LYS 53 46.514 63.253 51.130 424 1HZ LYS 53 2HZ LYS 53 45.609 64.560 53.542 425 2HZ LYS 53 1HZ LYS 53 47.135 65.026 53.195 426 3HZ LYS 53 3HZ LYS 53 45.924 65.210 52.027 427 H THR 54 H THR 54 47.998 59.224 55.684 428 HA THR 54 HA THR 54 49.337 57.875 53.327 429 HB THR 54 HB THR 54 50.199 57.312 55.660 430 HG1 THR 54 1HG THR 54 50.970 56.051 54.268 431 1HG2 THR 54 3HG2 THR 54 47.629 55.520 55.447 432 2HG2 THR 54 2HG2 THR 54 48.978 55.263 56.600 433 3HG2 THR 54 1HG2 THR 54 47.978 56.798 56.696 434 H ASN 55 H ASN 55 48.020 57.095 51.854 435 HA ASN 55 HA ASN 55 45.116 56.982 52.553 436 1HB ASN 55 2HB ASN 55 46.471 57.914 50.357 437 2HB ASN 55 1HB ASN 55 45.523 56.386 49.728 438 1HD2 ASN 55 1HD2 ASN 55 42.506 58.075 51.166 439 2HD2 ASN 55 2HD2 ASN 55 43.539 56.514 51.437 440 H SER 56 H SER 56 46.858 55.038 53.537 441 HA SER 56 HA SER 56 46.758 52.527 52.306 442 1HB SER 56 2HB SER 56 47.049 53.696 55.116 443 2HB SER 56 1HB SER 56 46.495 51.905 54.964 444 HG SER 56 HG SER 56 48.904 53.061 54.539 445 H THR 57 H THR 57 45.486 50.784 52.771 446 HA THR 57 HA THR 57 42.560 51.418 52.583 447 HB THR 57 HB THR 57 44.076 48.797 52.354 448 HG1 THR 57 1HG THR 57 43.318 50.791 50.537 449 1HG2 THR 57 3HG2 THR 57 41.175 49.659 52.145 450 2HG2 THR 57 2HG2 THR 57 41.710 48.668 50.766 451 3HG2 THR 57 1HG2 THR 57 41.874 47.985 52.423 452 H PHE 58 H PHE 58 44.819 50.897 54.823 453 HA PHE 58 HA PHE 58 42.800 49.605 56.677 454 1HB PHE 58 2HB PHE 58 44.556 49.235 58.478 455 2HB PHE 58 1HB PHE 58 44.639 48.283 56.945 456 HD1 PHE 58 HD2 PHE 58 46.129 49.595 55.123 457 HD2 PHE 58 HD1 PHE 58 46.693 49.903 59.348 458 HE1 PHE 58 HE2 PHE 58 48.447 50.176 54.720 459 HE2 PHE 58 HE1 PHE 58 49.098 50.519 58.930 460 HZ PHE 58 HZ PHE 58 49.927 50.645 56.625 461 H ARG 59 H ARG 59 44.980 52.218 56.246 462 HA ARG 59 HA ARG 59 43.119 53.857 58.011 463 1HB ARG 59 2HB ARG 59 45.779 52.935 58.981 464 2HB ARG 59 1HB ARG 59 45.620 54.740 58.978 465 1HG ARG 59 2HG ARG 59 44.624 54.414 61.015 466 2HG ARG 59 1HG ARG 59 43.168 54.086 59.917 467 1HD ARG 59 2HD ARG 59 44.404 51.611 60.129 468 2HD ARG 59 1HD ARG 59 44.674 52.304 61.757 469 HE ARG 59 HE ARG 59 41.968 52.373 60.482 470 1HH1 ARG 59 2HH1 ARG 59 44.086 51.641 63.435 471 2HH1 ARG 59 1HH1 ARG 59 42.657 51.314 64.394 472 1HH2 ARG 59 2HH2 ARG 59 40.267 51.928 61.934 473 2HH2 ARG 59 1HH2 ARG 59 40.588 51.469 63.574 474 H ASN 60 H ASN 60 43.130 55.805 58.084 475 HA ASN 60 HA ASN 60 45.043 57.431 56.492 476 1HB ASN 60 2HB ASN 60 42.163 58.221 55.931 477 2HB ASN 60 1HB ASN 60 43.551 57.983 54.739 478 1HD2 ASN 60 2HD2 ASN 60 40.959 54.928 55.923 479 2HD2 ASN 60 1HD2 ASN 60 41.320 56.328 56.908 480 H TYR 61 H TYR 61 45.658 57.879 58.347 481 HA TYR 61 HA TYR 61 44.567 60.356 59.420 482 1HB TYR 61 2HB TYR 61 43.048 58.537 60.483 483 2HB TYR 61 1HB TYR 61 44.532 57.811 61.226 484 HD1 TYR 61 HD2 TYR 61 44.492 61.502 61.044 485 HD2 TYR 61 HD1 TYR 61 43.359 58.036 63.329 486 HE1 TYR 61 HE2 TYR 61 44.215 62.882 63.116 487 HE2 TYR 61 HE1 TYR 61 43.093 59.360 65.327 488 HH TYR 61 HH TYR 61 44.015 62.827 65.283 489 H ASP 62 H ASP 62 46.770 60.480 58.532 490 HA ASP 62 HA ASP 62 48.908 59.580 60.507 491 1HB ASP 62 2HB ASP 62 48.706 58.922 57.989 492 2HB ASP 62 1HB ASP 62 49.566 60.546 57.737 493 H LEU 63 H LEU 63 50.551 61.809 58.691 494 HA LEU 63 HA LEU 63 50.877 63.501 60.914 495 1HB LEU 63 2HB LEU 63 52.065 63.220 58.415 496 2HB LEU 63 1HB LEU 63 51.226 64.850 58.270 497 HG LEU 63 HG LEU 63 52.320 64.890 60.838 498 1HD1 LEU 63 3HD1 LEU 63 53.467 62.661 59.693 499 2HD1 LEU 63 2HD1 LEU 63 54.698 63.992 59.414 500 3HD1 LEU 63 1HD1 LEU 63 54.119 63.550 61.081 501 1HD2 LEU 63 3HD2 LEU 63 53.508 65.765 58.097 502 2HD2 LEU 63 2HD2 LEU 63 52.410 66.752 59.212 503 3HD2 LEU 63 1HD2 LEU 63 54.099 66.324 59.733 504 H ASP 64 H ASP 64 49.124 64.376 61.876 505 HA ASP 64 HA ASP 64 47.647 66.294 60.036 506 1HB ASP 64 2HB ASP 64 46.737 63.894 61.487 507 2HB ASP 64 1HB ASP 64 45.745 65.371 62.034 508 H PHE 65 H PHE 65 48.900 68.001 60.688 509 HA PHE 65 HA PHE 65 47.742 69.289 63.062 510 1HB PHE 65 2HB PHE 65 50.031 69.546 64.217 511 2HB PHE 65 1HB PHE 65 49.134 67.971 64.342 512 HD1 PHE 65 HD1 PHE 65 51.472 69.510 61.675 513 HD2 PHE 65 HD2 PHE 65 50.585 66.278 64.515 514 HE1 PHE 65 HE1 PHE 65 53.408 68.301 60.924 515 HE2 PHE 65 HE2 PHE 65 52.611 65.096 63.692 516 HZ PHE 65 HZ PHE 65 53.975 66.119 61.921 517 H THR 66 H THR 66 49.207 71.245 63.631 518 HA THR 66 HA THR 66 49.919 72.641 61.075 519 HB THR 66 HB THR 66 48.355 73.137 63.573 520 HG1 THR 66 1HG THR 66 47.511 73.124 61.472 521 1HG2 THR 66 2HG2 THR 66 50.444 74.856 63.699 522 2HG2 THR 66 1HG2 THR 66 49.894 75.528 62.084 523 3HG2 THR 66 3HG2 THR 66 48.865 75.647 63.557 524 H VAL 67 H VAL 67 51.741 73.989 61.192 525 HA VAL 67 HA VAL 67 53.910 72.875 62.903 526 HB VAL 67 HB VAL 67 53.846 74.101 60.437 527 1HG1 VAL 67 2HG1 VAL 67 53.240 76.294 61.548 528 2HG1 VAL 67 1HG1 VAL 67 54.904 76.309 62.278 529 3HG1 VAL 67 3HG1 VAL 67 54.721 76.288 60.448 530 1HG2 VAL 67 2HG2 VAL 67 55.926 73.602 62.552 531 2HG2 VAL 67 1HG2 VAL 67 55.981 73.287 60.773 532 3HG2 VAL 67 3HG2 VAL 67 56.370 74.937 61.344 533 H GLY 68 H GLY 68 55.067 73.561 64.333 534 1HA GLY 68 1HA GLY 68 55.660 74.779 66.277 535 2HA GLY 68 2HA GLY 68 54.831 76.241 65.525 536 H VAL 69 H VAL 69 52.612 73.761 65.750 537 HA VAL 69 HA VAL 69 51.090 75.264 67.793 538 HB VAL 69 HB VAL 69 50.873 72.820 66.035 539 1HG1 VAL 69 1HG1 VAL 69 50.578 71.615 68.188 540 2HG1 VAL 69 3HG1 VAL 69 49.252 72.810 68.638 541 3HG1 VAL 69 2HG1 VAL 69 49.103 71.648 67.238 542 1HG2 VAL 69 3HG2 VAL 69 49.532 75.259 66.004 543 2HG2 VAL 69 2HG2 VAL 69 48.676 73.674 65.546 544 3HG2 VAL 69 1HG2 VAL 69 48.523 74.382 67.185 545 H GLU 70 H GLU 70 53.293 72.695 67.540 546 HA GLU 70 HA GLU 70 54.260 71.351 69.214 547 1HB GLU 70 2HB GLU 70 54.755 73.464 70.518 548 2HB GLU 70 1HB GLU 70 53.096 73.213 71.351 549 1HG GLU 70 2HG GLU 70 53.646 71.325 72.334 550 2HG GLU 70 1HG GLU 70 55.256 71.100 71.357 551 H PHE 71 H PHE 71 53.198 69.761 68.770 552 HA PHE 71 HA PHE 71 50.432 69.184 69.700 553 1HB PHE 71 2HB PHE 71 51.900 68.137 67.746 554 2HB PHE 71 1HB PHE 71 52.287 66.879 68.948 555 HD1 PHE 71 HD1 PHE 71 49.201 68.655 67.685 556 HD2 PHE 71 HD2 PHE 71 50.928 65.029 69.134 557 HE1 PHE 71 HE1 PHE 71 47.083 67.526 67.254 558 HE2 PHE 71 HE2 PHE 71 48.825 63.871 68.725 559 HZ PHE 71 HZ PHE 71 46.836 65.154 67.755 560 H ASP 72 H ASP 72 51.285 69.943 71.970 561 HA ASP 72 HA ASP 72 52.879 68.492 73.750 562 1HB ASP 72 2HB ASP 72 50.128 69.822 74.100 563 2HB ASP 72 1HB ASP 72 51.289 69.346 75.500 564 H GLU 73 H GLU 73 52.561 66.233 73.070 565 HA GLU 73 HA GLU 73 51.717 64.026 73.473 566 1HB GLU 73 2HB GLU 73 50.270 65.285 75.810 567 2HB GLU 73 1HB GLU 73 51.118 63.706 75.767 568 1HG GLU 73 2HG GLU 73 53.343 64.953 75.522 569 2HG GLU 73 1HG GLU 73 52.340 66.538 75.845 570 H HIS 74 H HIS 74 49.690 63.057 74.604 571 HA HIS 74 HA HIS 74 47.521 62.472 74.438 572 1HB HIS 74 2HB HIS 74 47.319 65.154 74.699 573 2HB HIS 74 1HB HIS 74 46.811 65.019 72.973 574 HD1 HIS 74 HD1 HIS 74 45.918 62.385 75.670 575 HD2 HIS 74 HD2 HIS 74 44.124 65.450 73.309 576 HE1 HIS 74 HE1 HIS 74 43.361 62.200 75.907 577 HE2 HIS 74 HE2 HIS 74 42.315 64.030 74.493 578 H THR 75 H THR 75 48.242 60.986 73.050 579 HA THR 75 HA THR 75 47.194 61.282 70.272 580 HB THR 75 HB THR 75 49.164 60.627 69.476 581 HG1 THR 75 1HG THR 75 48.910 58.666 69.379 582 1HG2 THR 75 3HG2 THR 75 49.942 59.941 72.510 583 2HG2 THR 75 2HG2 THR 75 51.130 60.099 71.192 584 3HG2 THR 75 1HG2 THR 75 50.219 61.556 71.695 585 H LYS 76 H LYS 76 46.863 59.096 69.224 586 HA LYS 76 HA LYS 76 46.404 56.704 70.659 587 1HB LYS 76 2HB LYS 76 43.781 56.858 70.876 588 2HB LYS 76 1HB LYS 76 44.751 57.728 72.150 589 1HG LYS 76 2HG LYS 76 44.480 59.715 70.158 590 2HG LYS 76 1HG LYS 76 42.926 58.757 70.083 591 1HD LYS 76 2HD LYS 76 42.976 59.031 72.710 592 2HD LYS 76 1HD LYS 76 44.172 60.379 72.355 593 1HE LYS 76 2HE LYS 76 41.816 60.559 70.563 594 2HE LYS 76 1HE LYS 76 41.323 60.647 72.279 595 1HZ LYS 76 2HZ LYS 76 42.964 62.459 72.576 596 2HZ LYS 76 1HZ LYS 76 43.320 62.352 70.939 597 3HZ LYS 76 3HZ LYS 76 41.812 62.781 71.425 598 H GLY 77 H GLY 77 45.774 55.145 69.633 599 1HA GLY 77 1HA GLY 77 44.249 54.177 67.925 600 2HA GLY 77 2HA GLY 77 44.829 55.495 66.778 601 H LEU 78 H LEU 78 47.226 55.291 68.394 602 HA LEU 78 HA LEU 78 48.629 52.969 67.081 603 1HB LEU 78 2HB LEU 78 48.992 55.368 66.134 604 2HB LEU 78 1HB LEU 78 49.918 55.753 67.652 605 HG LEU 78 HG LEU 78 51.074 53.374 66.982 606 1HD1 LEU 78 3HD1 LEU 78 49.633 54.180 64.613 607 2HD1 LEU 78 2HD1 LEU 78 51.428 54.312 64.272 608 3HD1 LEU 78 1HD1 LEU 78 50.692 52.748 64.891 609 1HD2 LEU 78 3HD2 LEU 78 51.834 56.195 65.902 610 2HD2 LEU 78 2HD2 LEU 78 52.278 55.517 67.527 611 3HD2 LEU 78 1HD2 LEU 78 52.935 54.743 66.035 612 H ASP 79 H ASP 79 49.412 55.547 69.544 613 HA ASP 79 HA ASP 79 50.687 53.364 71.093 614 1HB ASP 79 2HB ASP 79 52.213 54.990 70.755 615 2HB ASP 79 1HB ASP 79 50.962 56.400 70.891 616 H GLY 80 H GLY 80 49.266 56.547 71.947 617 1HA GLY 80 1HA GLY 80 47.650 57.218 73.384 618 2HA GLY 80 2HA GLY 80 47.125 55.459 73.624 619 H ARG 81 H ARG 81 49.311 58.025 74.028 620 HA ARG 81 HA ARG 81 49.652 57.544 76.966 621 1HB ARG 81 2HB ARG 81 51.381 56.114 75.803 622 2HB ARG 81 1HB ARG 81 52.174 57.641 75.121 623 1HG ARG 81 2HG ARG 81 53.450 57.292 77.096 624 2HG ARG 81 1HG ARG 81 52.198 58.426 77.657 625 1HD ARG 81 2HD ARG 81 52.831 56.480 79.087 626 2HD ARG 81 1HD ARG 81 51.028 56.613 78.825 627 HE ARG 81 HE ARG 81 52.418 54.828 76.904 628 1HH1 ARG 81 2HH1 ARG 81 50.584 55.183 80.013 629 2HH1 ARG 81 1HH1 ARG 81 50.016 53.540 80.042 630 1HH2 ARG 81 2HH2 ARG 81 51.765 52.746 76.938 631 2HH2 ARG 81 1HH2 ARG 81 50.746 52.054 78.183 632 H ASN 82 H ASN 82 52.340 59.445 75.963 633 HA ASN 82 HA ASN 82 50.920 61.834 75.512 634 1HB ASN 82 2HB ASN 82 51.787 62.739 77.988 635 2HB ASN 82 1HB ASN 82 50.056 61.997 77.725 636 1HD2 ASN 82 2HD2 ASN 82 50.446 59.259 79.546 637 2HD2 ASN 82 1HD2 ASN 82 49.455 60.279 78.491 638 H VAL 83 H VAL 83 52.430 62.389 74.114 639 HA VAL 83 HA VAL 83 55.174 63.010 75.292 640 HB VAL 83 HB VAL 83 54.519 61.761 72.583 641 1HG1 VAL 83 2HG1 VAL 83 56.558 63.107 72.389 642 2HG1 VAL 83 1HG1 VAL 83 57.310 62.276 73.779 643 3HG1 VAL 83 3HG1 VAL 83 56.944 61.305 72.316 644 1HG2 VAL 83 3HG2 VAL 83 54.201 60.143 74.504 645 2HG2 VAL 83 2HG2 VAL 83 55.674 59.666 73.569 646 3HG2 VAL 83 1HG2 VAL 83 55.896 60.600 75.111 647 H LYS 84 H LYS 84 55.928 64.815 75.014 648 HA LYS 84 HA LYS 84 54.692 66.929 73.536 649 1HB LYS 84 2HB LYS 84 57.029 66.677 75.107 650 2HB LYS 84 1HB LYS 84 57.673 67.096 73.450 651 1HG LYS 84 2HG LYS 84 57.188 69.206 74.769 652 2HG LYS 84 1HG LYS 84 55.995 69.002 73.398 653 1HD LYS 84 2HD LYS 84 54.902 69.707 75.471 654 2HD LYS 84 1HD LYS 84 54.313 68.075 75.067 655 1HE LYS 84 2HE LYS 84 55.160 67.309 77.210 656 2HE LYS 84 1HE LYS 84 56.816 67.839 76.664 657 1HZ LYS 84 1HZ LYS 84 54.921 69.865 77.590 658 2HZ LYS 84 3HZ LYS 84 55.702 68.892 78.702 659 3HZ LYS 84 2HZ LYS 84 56.608 69.808 77.661 660 H THR 85 H THR 85 54.387 67.197 71.529 661 HA THR 85 HA THR 85 56.365 66.081 69.489 662 HB THR 85 HB THR 85 53.376 65.608 69.907 663 HG1 THR 85 1HG THR 85 55.518 63.944 69.407 664 1HG2 THR 85 3HG2 THR 85 55.371 65.220 67.447 665 2HG2 THR 85 2HG2 THR 85 53.742 64.336 67.622 666 3HG2 THR 85 1HG2 THR 85 53.816 66.145 67.443 667 H LEU 86 H LEU 86 57.212 67.937 69.579 668 HA LEU 86 HA LEU 86 55.747 70.264 68.546 669 1HB LEU 86 2HB LEU 86 57.719 70.401 70.173 670 2HB LEU 86 1HB LEU 86 58.794 69.840 68.793 671 HG LEU 86 HG LEU 86 57.444 71.949 67.517 672 1HD1 LEU 86 3HD1 LEU 86 56.872 72.256 70.294 673 2HD1 LEU 86 2HD1 LEU 86 58.385 73.227 70.105 674 3HD1 LEU 86 1HD1 LEU 86 56.966 73.603 69.066 675 1HD2 LEU 86 1HD2 LEU 86 59.955 71.179 67.834 676 2HD2 LEU 86 3HD2 LEU 86 59.579 72.933 67.523 677 3HD2 LEU 86 2HD2 LEU 86 59.882 72.397 69.231 678 H VAL 87 H VAL 87 55.849 71.088 66.599 679 HA VAL 87 HA VAL 87 57.366 69.699 64.423 680 HB VAL 87 HB VAL 87 54.532 71.049 64.360 681 1HG1 VAL 87 3HG1 VAL 87 56.028 71.221 62.243 682 2HG1 VAL 87 2HG1 VAL 87 55.867 69.395 62.204 683 3HG1 VAL 87 1HG1 VAL 87 54.424 70.387 61.949 684 1HG2 VAL 87 3HG2 VAL 87 54.567 68.811 65.519 685 2HG2 VAL 87 2HG2 VAL 87 53.667 68.752 63.959 686 3HG2 VAL 87 1HG2 VAL 87 55.353 68.078 64.062 687 H THR 88 H THR 88 58.356 70.856 62.915 688 HA THR 88 HA THR 88 57.929 73.732 62.798 689 HB THR 88 HB THR 88 60.342 72.281 63.938 690 HG1 THR 88 1HG THR 88 59.838 73.422 65.656 691 1HG2 THR 88 2HG2 THR 88 60.153 75.128 62.630 692 2HG2 THR 88 1HG2 THR 88 61.329 74.793 63.931 693 3HG2 THR 88 3HG2 THR 88 61.391 73.794 62.394 694 H TRP 89 H TRP 89 58.908 74.590 61.012 695 HA TRP 89 HA TRP 89 59.445 72.851 58.598 696 1HB TRP 89 2HB TRP 89 58.780 75.820 59.240 697 2HB TRP 89 1HB TRP 89 59.384 75.359 57.601 698 HD1 TRP 89 HD1 TRP 89 56.054 75.490 59.350 699 HE1 TRP 89 HE1 TRP 89 54.582 73.795 58.121 700 HE3 TRP 89 HE3 TRP 89 59.580 73.135 56.667 701 HZ2 TRP 89 HZ2 TRP 89 54.921 71.637 56.227 702 HZ3 TRP 89 HZ3 TRP 89 59.075 71.264 55.183 703 HH2 TRP 89 HH2 TRP 89 56.799 70.576 55.042 704 H GLU 90 H GLU 90 61.552 72.737 57.589 705 HA GLU 90 HA GLU 90 63.499 73.987 59.396 706 1HB GLU 90 2HB GLU 90 63.295 71.529 58.426 707 2HB GLU 90 1HB GLU 90 63.991 72.219 56.927 708 1HG GLU 90 2HG GLU 90 65.785 73.125 59.071 709 2HG GLU 90 1HG GLU 90 65.410 71.318 59.296 710 H GLY 91 H GLY 91 61.876 74.443 56.612 711 1HA GLY 91 1HA GLY 91 61.897 76.724 55.657 712 2HA GLY 91 2HA GLY 91 63.717 76.510 55.348 713 H ASN 92 H ASN 92 63.273 73.803 55.230 714 HA ASN 92 HA ASN 92 61.648 72.922 52.911 715 1HB ASN 92 2HB ASN 92 64.759 72.709 52.774 716 2HB ASN 92 1HB ASN 92 63.472 72.165 51.509 717 1HD2 ASN 92 2HD2 ASN 92 64.590 76.031 52.025 718 2HD2 ASN 92 1HD2 ASN 92 65.141 74.769 53.124 719 H THR 93 H THR 93 60.774 71.746 54.386 720 HA THR 93 HA THR 93 60.494 69.402 54.911 721 HB THR 93 HB THR 93 62.998 68.967 54.718 722 HG1 THR 93 1HG THR 93 61.381 67.573 55.062 723 1HG2 THR 93 1HG2 THR 93 62.791 69.749 57.749 724 2HG2 THR 93 3HG2 THR 93 63.800 68.339 57.235 725 3HG2 THR 93 2HG2 THR 93 64.194 69.952 56.606 726 H LEU 94 H LEU 94 60.054 68.310 56.719 727 HA LEU 94 HA LEU 94 59.138 70.020 59.014 728 1HB LEU 94 2HB LEU 94 57.489 68.677 57.398 729 2HB LEU 94 1HB LEU 94 58.041 67.275 58.380 730 HG LEU 94 HG LEU 94 57.739 68.738 60.438 731 1HD1 LEU 94 3HD1 LEU 94 56.421 70.468 58.187 732 2HD1 LEU 94 2HD1 LEU 94 55.666 70.412 59.858 733 3HD1 LEU 94 1HD1 LEU 94 57.367 70.990 59.674 734 1HD2 LEU 94 3HD2 LEU 94 55.720 67.306 58.857 735 2HD2 LEU 94 2HD2 LEU 94 55.964 67.404 60.684 736 3HD2 LEU 94 1HD2 LEU 94 54.964 68.652 59.786 737 H VAL 95 H VAL 95 60.548 70.136 60.398 738 HA VAL 95 HA VAL 95 61.920 67.755 61.433 739 HB VAL 95 HB VAL 95 61.683 70.772 62.180 740 1HG1 VAL 95 2HG1 VAL 95 62.393 69.588 64.193 741 2HG1 VAL 95 1HG1 VAL 95 63.739 68.772 63.232 742 3HG1 VAL 95 3HG1 VAL 95 63.755 70.543 63.450 743 1HG2 VAL 95 1HG2 VAL 95 62.847 70.093 59.893 744 2HG2 VAL 95 3HG2 VAL 95 63.912 71.100 61.028 745 3HG2 VAL 95 2HG2 VAL 95 64.082 69.296 60.949 746 H CYS 96 H CYS 96 60.970 66.640 63.290 747 HA CYS 96 HA CYS 96 59.471 68.407 65.118 748 1HB CYS 96 2HB CYS 96 58.330 65.593 64.874 749 2HB CYS 96 1HB CYS 96 57.436 67.097 64.913 750 HG CYS 96 HG CYS 96 56.997 67.315 62.607 751 H VAL 97 H VAL 97 59.573 67.914 67.109 752 HA VAL 97 HA VAL 97 61.569 65.947 68.024 753 HB VAL 97 HB VAL 97 60.496 68.307 69.590 754 1HG1 VAL 97 1HG1 VAL 97 63.000 66.557 69.536 755 2HG1 VAL 97 3HG1 VAL 97 63.014 68.147 70.444 756 3HG1 VAL 97 2HG1 VAL 97 61.882 66.815 70.947 757 1HG2 VAL 97 3HG2 VAL 97 62.163 68.345 67.109 758 2HG2 VAL 97 2HG2 VAL 97 61.359 69.727 68.053 759 3HG2 VAL 97 1HG2 VAL 97 62.980 69.083 68.543 760 H GLN 98 H GLN 98 60.568 64.144 68.645 761 HA GLN 98 HA GLN 98 58.077 64.131 70.304 762 1HB GLN 98 2HB GLN 98 60.163 61.969 69.756 763 2HB GLN 98 1HB GLN 98 58.439 61.649 70.345 764 1HG GLN 98 2HG GLN 98 59.378 62.672 67.568 765 2HG GLN 98 1HG GLN 98 58.306 61.213 67.976 766 1HE2 GLN 98 2HE2 GLN 98 55.382 62.760 67.727 767 2HE2 GLN 98 1HE2 GLN 98 56.361 61.304 67.904 768 H LYS 99 H LYS 99 58.762 65.494 71.936 769 HA LYS 99 HA LYS 99 61.103 64.590 73.479 770 1HB LYS 99 2HB LYS 99 59.665 66.942 73.289 771 2HB LYS 99 1HB LYS 99 58.917 66.274 74.764 772 1HG LYS 99 2HG LYS 99 61.383 65.920 75.607 773 2HG LYS 99 1HG LYS 99 61.863 67.144 74.350 774 1HD LYS 99 2HD LYS 99 60.941 68.862 75.725 775 2HD LYS 99 1HD LYS 99 59.452 67.790 76.028 776 1HE LYS 99 2HE LYS 99 60.510 66.838 77.914 777 2HE LYS 99 1HE LYS 99 62.150 67.024 77.218 778 1HZ LYS 99 3HZ LYS 99 60.512 69.381 78.006 779 2HZ LYS 99 2HZ LYS 99 61.511 68.626 79.098 780 3HZ LYS 99 1HZ LYS 99 62.150 69.333 77.698 781 H GLY 100 H GLY 100 60.973 62.695 74.096 782 1HA GLY 100 1HA GLY 100 58.449 61.865 75.606 783 2HA GLY 100 2HA GLY 100 59.619 60.661 74.978 784 H GLU 101 H GLU 101 58.821 60.123 77.033 785 HA GLU 101 HA GLU 101 60.393 61.069 79.424 786 1HB GLU 101 2HB GLU 101 58.028 61.195 79.873 787 2HB GLU 101 1HB GLU 101 57.666 59.750 78.865 788 1HG GLU 101 2HG GLU 101 58.527 58.259 80.541 789 2HG GLU 101 1HG GLU 101 59.295 59.633 81.521 790 H LYS 102 H LYS 102 59.355 58.323 77.496 791 HA LYS 102 HA LYS 102 61.417 56.561 78.825 792 1HB LYS 102 2HB LYS 102 59.312 55.562 79.326 793 2HB LYS 102 1HB LYS 102 58.559 56.226 77.834 794 1HG LYS 102 2HG LYS 102 60.867 54.179 77.498 795 2HG LYS 102 1HG LYS 102 59.295 53.570 78.063 796 1HD LYS 102 2HD LYS 102 58.669 55.413 75.894 797 2HD LYS 102 1HD LYS 102 60.063 54.331 75.406 798 1HE LYS 102 2HE LYS 102 58.816 52.413 75.522 799 2HE LYS 102 1HE LYS 102 57.819 53.072 76.885 800 1HZ LYS 102 2HZ LYS 102 56.925 54.627 75.104 801 2HZ LYS 102 1HZ LYS 102 57.492 53.568 73.942 802 3HZ LYS 102 3HZ LYS 102 56.354 53.072 75.036 803 H GLU 103 H GLU 103 59.764 57.402 75.889 804 HA GLU 103 HA GLU 103 61.914 56.065 74.216 805 1HB GLU 103 2HB GLU 103 60.214 56.288 72.311 806 2HB GLU 103 1HB GLU 103 59.767 55.089 73.633 807 1HG GLU 103 2HG GLU 103 57.782 56.158 73.080 808 2HG GLU 103 1HG GLU 103 58.310 56.898 74.688 809 H ASN 104 H ASN 104 62.109 56.805 72.175 810 HA ASN 104 HA ASN 104 62.022 59.769 72.014 811 1HB ASN 104 2HB ASN 104 64.202 57.785 70.931 812 2HB ASN 104 1HB ASN 104 64.362 59.602 70.842 813 1HD2 ASN 104 1HD2 ASN 104 65.248 59.917 74.240 814 2HD2 ASN 104 2HD2 ASN 104 64.619 60.706 72.631 815 H ARG 105 H ARG 105 60.152 59.662 70.784 816 HA ARG 105 HA ARG 105 59.907 57.813 68.560 817 1HB ARG 105 2HB ARG 105 58.016 59.726 69.996 818 2HB ARG 105 1HB ARG 105 57.698 59.291 68.264 819 1HG ARG 105 2HG ARG 105 58.352 57.108 70.215 820 2HG ARG 105 1HG ARG 105 56.630 57.732 69.963 821 1HD ARG 105 2HD ARG 105 58.271 56.972 67.562 822 2HD ARG 105 1HD ARG 105 57.359 55.689 68.441 823 HE ARG 105 HE ARG 105 55.285 57.000 68.134 824 1HH1 ARG 105 1HH2 ARG 105 58.086 58.306 66.061 825 2HH1 ARG 105 2HH2 ARG 105 56.910 59.134 65.052 826 1HH2 ARG 105 2HH1 ARG 105 54.009 58.141 66.679 827 2HH2 ARG 105 1HH1 ARG 105 54.743 59.059 65.360 828 H GLY 106 H GLY 106 61.400 60.516 69.062 829 1HA GLY 106 1HA GLY 106 61.341 62.551 67.379 830 2HA GLY 106 2HA GLY 106 62.794 61.471 67.416 831 H TRP 107 H TRP 107 59.996 62.448 65.746 832 HA TRP 107 HA TRP 107 60.833 60.908 63.363 833 1HB TRP 107 2HB TRP 107 58.885 60.010 62.963 834 2HB TRP 107 1HB TRP 107 58.263 60.656 64.554 835 HD1 TRP 107 HD1 TRP 107 58.491 61.445 60.677 836 HE1 TRP 107 HE1 TRP 107 56.972 63.359 60.087 837 HE3 TRP 107 HE3 TRP 107 57.185 62.672 65.407 838 HZ2 TRP 107 HZ2 TRP 107 55.498 65.072 61.468 839 HZ3 TRP 107 HZ3 TRP 107 55.631 64.555 65.697 840 HH2 TRP 107 HH2 TRP 107 54.800 65.752 63.725 841 H LYS 108 H LYS 108 61.329 61.794 61.696 842 HA LYS 108 HA LYS 108 60.400 64.477 61.026 843 1HB LYS 108 2HB LYS 108 63.170 64.766 60.594 844 2HB LYS 108 1HB LYS 108 62.303 65.388 62.087 845 1HG LYS 108 2HG LYS 108 62.757 63.032 63.141 846 2HG LYS 108 1HG LYS 108 63.866 62.787 61.695 847 1HD LYS 108 2HD LYS 108 65.099 63.513 63.723 848 2HD LYS 108 1HD LYS 108 65.149 64.840 62.469 849 1HE LYS 108 2HE LYS 108 62.771 64.723 64.396 850 2HE LYS 108 1HE LYS 108 64.350 65.052 65.225 851 1HZ LYS 108 3HZ LYS 108 63.707 66.664 62.838 852 2HZ LYS 108 2HZ LYS 108 62.800 66.912 64.266 853 3HZ LYS 108 1HZ LYS 108 64.441 67.033 64.302 854 H GLN 109 H GLN 109 60.952 65.391 59.164 855 HA GLN 109 HA GLN 109 61.534 63.253 57.072 856 1HB GLN 109 2HB GLN 109 59.753 65.726 57.093 857 2HB GLN 109 1HB GLN 109 60.100 64.766 55.565 858 1HG GLN 109 2HG GLN 109 58.301 63.417 56.386 859 2HG GLN 109 1HG GLN 109 59.432 62.986 57.821 860 1HE2 GLN 109 1HE2 GLN 109 57.797 65.089 60.061 861 2HE2 GLN 109 2HE2 GLN 109 59.190 63.953 59.580 862 H TRP 110 H TRP 110 62.397 64.151 54.959 863 HA TRP 110 HA TRP 110 63.520 66.769 54.775 864 1HB TRP 110 2HB TRP 110 65.939 65.994 55.121 865 2HB TRP 110 1HB TRP 110 64.916 66.563 56.519 866 HD1 TRP 110 HD1 TRP 110 65.387 62.968 54.824 867 HE1 TRP 110 HE1 TRP 110 65.806 61.361 56.841 868 HE3 TRP 110 HE3 TRP 110 65.148 66.353 58.384 869 HZ2 TRP 110 HZ2 TRP 110 66.006 61.699 59.619 870 HZ3 TRP 110 HZ3 TRP 110 65.465 65.761 60.785 871 HH2 TRP 110 HH2 TRP 110 65.885 63.439 61.334 872 H VAL 111 H VAL 111 62.966 66.806 52.851 873 HA VAL 111 HA VAL 111 63.036 64.985 50.699 874 HB VAL 111 HB VAL 111 63.978 67.931 50.705 875 1HG1 VAL 111 3HG1 VAL 111 64.433 66.914 48.567 876 2HG1 VAL 111 2HG1 VAL 111 62.745 66.316 48.400 877 3HG1 VAL 111 1HG1 VAL 111 63.126 68.097 48.405 878 1HG2 VAL 111 2HG2 VAL 111 61.463 66.849 51.591 879 2HG2 VAL 111 1HG2 VAL 111 61.791 68.567 51.219 880 3HG2 VAL 111 3HG2 VAL 111 61.166 67.466 49.890 881 H GLU 112 H GLU 112 64.629 63.564 50.727 882 HA GLU 112 HA GLU 112 67.371 64.546 50.464 883 1HB GLU 112 2HB GLU 112 66.089 62.008 51.343 884 2HB GLU 112 1HB GLU 112 67.540 61.723 50.368 885 1HG GLU 112 2HG GLU 112 67.282 63.782 52.659 886 2HG GLU 112 1HG GLU 112 68.031 62.036 52.811 887 H GLY 113 H GLY 113 66.084 65.360 48.355 888 1HA GLY 113 1HA GLY 113 67.024 65.269 46.072 889 2HA GLY 113 2HA GLY 113 66.908 63.490 46.068 890 H ASP 114 H ASP 114 65.452 62.911 44.748 891 HA ASP 114 HA ASP 114 63.071 64.547 44.112 892 1HB ASP 114 2HB ASP 114 64.379 62.050 42.824 893 2HB ASP 114 1HB ASP 114 62.765 62.791 42.257 894 H LYS 115 H LYS 115 63.431 62.747 46.581 895 HA LYS 115 HA LYS 115 60.673 61.601 46.669 896 1HB LYS 115 2HB LYS 115 61.601 59.497 47.792 897 2HB LYS 115 1HB LYS 115 62.152 59.648 46.108 898 1HG LYS 115 2HG LYS 115 63.960 61.212 47.842 899 2HG LYS 115 1HG LYS 115 63.850 59.430 48.279 900 1HD LYS 115 2HD LYS 115 64.646 58.747 46.208 901 2HD LYS 115 1HD LYS 115 63.866 60.082 45.290 902 1HE LYS 115 2HE LYS 115 66.070 60.747 45.144 903 2HE LYS 115 1HE LYS 115 65.507 61.597 46.663 904 1HZ LYS 115 3HZ LYS 115 66.383 59.184 47.593 905 2HZ LYS 115 2HZ LYS 115 67.557 59.502 46.464 906 3HZ LYS 115 1HZ LYS 115 67.202 60.617 47.682 907 H LEU 116 H LEU 116 60.598 60.687 49.028 908 HA LEU 116 HA LEU 116 61.912 62.831 50.705 909 1HB LEU 116 2HB LEU 116 59.282 62.984 49.805 910 2HB LEU 116 1HB LEU 116 59.071 62.430 51.512 911 HG LEU 116 HG LEU 116 60.811 64.860 50.730 912 1HD1 LEU 116 2HD1 LEU 116 57.882 64.423 51.099 913 2HD1 LEU 116 1HD1 LEU 116 58.491 65.581 52.302 914 3HD1 LEU 116 3HD1 LEU 116 58.753 65.967 50.564 915 1HD2 LEU 116 3HD2 LEU 116 59.964 63.680 53.458 916 2HD2 LEU 116 2HD2 LEU 116 61.638 63.999 52.860 917 3HD2 LEU 116 1HD2 LEU 116 60.519 65.362 53.237 918 H TYR 117 H TYR 117 63.021 61.944 52.044 919 HA TYR 117 HA TYR 117 62.325 59.419 53.270 920 1HB TYR 117 2HB TYR 117 64.560 61.517 53.774 921 2HB TYR 117 1HB TYR 117 64.427 59.983 54.693 922 HD1 TYR 117 HD1 TYR 117 63.231 58.916 51.529 923 HD2 TYR 117 HD2 TYR 117 66.906 60.445 53.307 924 HE1 TYR 117 HE1 TYR 117 64.552 57.884 49.775 925 HE2 TYR 117 HE2 TYR 117 68.138 59.352 51.491 926 HH TYR 117 HH TYR 117 66.676 57.211 49.185 927 H LEU 118 H LEU 118 61.934 58.789 55.073 928 HA LEU 118 HA LEU 118 61.065 60.710 57.266 929 1HB LEU 118 2HB LEU 118 59.669 58.066 56.554 930 2HB LEU 118 1HB LEU 118 59.054 59.396 57.679 931 HG LEU 118 HG LEU 118 58.792 59.197 54.666 932 1HD1 LEU 118 2HD1 LEU 118 57.058 58.695 56.598 933 2HD1 LEU 118 1HD1 LEU 118 57.239 60.433 56.981 934 3HD1 LEU 118 3HD1 LEU 118 56.565 60.002 55.372 935 1HD2 LEU 118 3HD2 LEU 118 59.584 61.644 56.154 936 2HD2 LEU 118 2HD2 LEU 118 59.606 61.248 54.341 937 3HD2 LEU 118 1HD2 LEU 118 58.094 61.859 55.161 938 H GLU 119 H GLU 119 62.976 60.411 58.127 939 HA GLU 119 HA GLU 119 63.795 57.732 59.172 940 1HB GLU 119 2HB GLU 119 65.144 60.367 58.498 941 2HB GLU 119 1HB GLU 119 65.726 59.492 59.977 942 1HG GLU 119 2HG GLU 119 66.505 57.663 58.723 943 2HG GLU 119 1HG GLU 119 65.063 57.867 57.558 944 H LEU 120 H LEU 120 62.416 57.321 60.693 945 HA LEU 120 HA LEU 120 62.462 59.342 62.905 946 1HB LEU 120 2HB LEU 120 60.343 58.724 63.632 947 2HB LEU 120 1HB LEU 120 60.213 58.629 61.831 948 HG LEU 120 HG LEU 120 61.069 56.028 62.934 949 1HD1 LEU 120 2HD1 LEU 120 59.552 57.106 64.757 950 2HD1 LEU 120 1HD1 LEU 120 58.171 56.825 63.595 951 3HD1 LEU 120 3HD1 LEU 120 59.189 55.424 64.216 952 1HD2 LEU 120 1HD2 LEU 120 58.722 57.022 61.164 953 2HD2 LEU 120 3HD2 LEU 120 60.171 56.092 60.654 954 3HD2 LEU 120 2HD2 LEU 120 58.871 55.321 61.639 955 H THR 121 H THR 121 61.788 58.066 64.910 956 HA THR 121 HA THR 121 63.314 55.492 65.363 957 HB THR 121 HB THR 121 65.097 57.011 65.552 958 HG1 THR 121 1HG THR 121 65.698 56.451 67.557 959 1HG2 THR 121 2HG2 THR 121 63.084 58.732 66.920 960 2HG2 THR 121 1HG2 THR 121 64.543 58.520 67.965 961 3HG2 THR 121 3HG2 THR 121 64.683 59.289 66.299 962 H CYS 122 H CYS 122 63.093 55.068 67.919 963 HA CYS 122 HA CYS 122 60.721 56.181 69.268 964 1HB CYS 122 2HB CYS 122 59.418 53.951 68.906 965 2HB CYS 122 1HB CYS 122 59.313 55.135 67.635 966 HG CYS 122 HG CYS 122 61.469 54.032 66.196 967 H GLY 123 H GLY 123 62.941 56.037 70.190 968 1HA GLY 123 1HA GLY 123 63.719 55.478 72.436 969 2HA GLY 123 2HA GLY 123 62.749 53.932 72.287 970 H ASP 124 H ASP 124 63.472 52.360 70.837 971 HA ASP 124 HA ASP 124 66.491 52.160 70.788 972 1HB ASP 124 2HB ASP 124 64.696 49.733 70.356 973 2HB ASP 124 1HB ASP 124 66.280 49.886 71.299 974 H GLN 125 H GLN 125 63.535 51.238 69.080 975 HA GLN 125 HA GLN 125 65.108 50.460 66.725 976 1HB GLN 125 2HB GLN 125 62.194 51.024 67.267 977 2HB GLN 125 1HB GLN 125 62.673 51.291 65.556 978 1HG GLN 125 2HG GLN 125 62.256 49.106 65.334 979 2HG GLN 125 1HG GLN 125 64.023 49.000 65.911 980 1HE2 GLN 125 1HE2 GLN 125 63.144 48.080 69.240 981 2HE2 GLN 125 2HE2 GLN 125 64.377 49.063 68.157 982 H VAL 126 H VAL 126 64.674 51.398 64.737 983 HA VAL 126 HA VAL 126 64.719 54.294 64.394 984 HB VAL 126 HB VAL 126 67.187 53.966 64.817 985 1HG1 VAL 126 2HG1 VAL 126 66.791 51.330 64.352 986 2HG1 VAL 126 1HG1 VAL 126 67.312 51.780 62.654 987 3HG1 VAL 126 3HG1 VAL 126 68.441 52.083 64.000 988 1HG2 VAL 126 1HG2 VAL 126 66.184 54.980 62.500 989 2HG2 VAL 126 3HG2 VAL 126 67.927 55.005 62.927 990 3HG2 VAL 126 2HG2 VAL 126 67.201 53.701 61.834 991 H CYS 127 H CYS 127 62.905 53.993 63.273 992 HA CYS 127 HA CYS 127 62.814 52.052 61.059 993 1HB CYS 127 2HB CYS 127 60.819 52.930 62.400 994 2HB CYS 127 1HB CYS 127 61.123 54.547 61.667 995 HG CYS 127 HG CYS 127 59.020 52.864 60.743 996 H ARG 128 H ARG 128 63.794 52.146 59.182 997 HA ARG 128 HA ARG 128 64.407 54.987 58.210 998 1HB ARG 128 2HB ARG 128 66.308 53.153 58.468 999 2HB ARG 128 1HB ARG 128 65.441 52.357 57.063 1000 1HG ARG 128 2HG ARG 128 65.692 54.291 55.650 1001 2HG ARG 128 1HG ARG 128 66.457 55.279 56.906 1002 1HD ARG 128 2HD ARG 128 68.363 54.400 55.795 1003 2HD ARG 128 1HD ARG 128 68.059 53.123 57.095 1004 HE ARG 128 HE ARG 128 66.657 52.158 54.993 1005 1HH1 ARG 128 1HH2 ARG 128 69.963 53.503 55.311 1006 2HH1 ARG 128 2HH2 ARG 128 70.619 52.456 54.048 1007 1HH2 ARG 128 2HH1 ARG 128 67.633 50.793 53.259 1008 2HH2 ARG 128 1HH1 ARG 128 69.353 50.955 52.910 1009 H GLN 129 H GLN 129 63.568 55.787 56.399 1010 HA GLN 129 HA GLN 129 62.126 53.651 54.772 1011 1HB GLN 129 2HB GLN 129 61.008 56.443 55.559 1012 2HB GLN 129 1HB GLN 129 60.201 55.152 54.540 1013 1HG GLN 129 2HG GLN 129 60.953 53.727 56.752 1014 2HG GLN 129 1HG GLN 129 60.487 55.352 57.496 1015 1HE2 GLN 129 2HE2 GLN 129 57.773 52.782 55.618 1016 2HE2 GLN 129 1HE2 GLN 129 59.547 52.581 55.447 1017 H VAL 130 H VAL 130 61.562 53.982 52.636 1018 HA VAL 130 HA VAL 130 63.230 56.122 51.321 1019 HB VAL 130 HB VAL 130 63.665 54.326 49.427 1020 1HG1 VAL 130 1HG1 VAL 130 65.037 54.829 51.986 1021 2HG1 VAL 130 3HG1 VAL 130 65.386 53.151 51.395 1022 3HG1 VAL 130 2HG1 VAL 130 65.761 54.601 50.360 1023 1HG2 VAL 130 2HG2 VAL 130 62.036 52.579 50.464 1024 2HG2 VAL 130 1HG2 VAL 130 63.677 52.056 49.891 1025 3HG2 VAL 130 3HG2 VAL 130 63.308 52.228 51.661 1026 H PHE 131 H PHE 131 62.346 57.088 49.676 1027 HA PHE 131 HA PHE 131 59.683 56.107 48.668 1028 1HB PHE 131 2HB PHE 131 60.911 58.817 49.489 1029 2HB PHE 131 1HB PHE 131 59.247 58.693 48.667 1030 HD1 PHE 131 HD1 PHE 131 61.381 57.773 51.595 1031 HD2 PHE 131 HD2 PHE 131 57.398 57.984 50.056 1032 HE1 PHE 131 HE1 PHE 131 60.593 57.233 53.882 1033 HE2 PHE 131 HE2 PHE 131 56.585 57.451 52.328 1034 HZ PHE 131 HZ PHE 131 58.138 57.069 54.215 1035 H LYS 132 H LYS 132 58.999 57.689 46.793 1036 HA LYS 132 HA LYS 132 61.376 58.266 45.059 1037 1HB LYS 132 2HB LYS 132 60.326 56.612 43.282 1038 2HB LYS 132 1HB LYS 132 60.974 55.816 44.717 1039 1HG LYS 132 2HG LYS 132 58.890 54.985 45.137 1040 2HG LYS 132 1HG LYS 132 58.155 56.640 45.318 1041 1HD LYS 132 2HD LYS 132 57.398 56.782 43.200 1042 2HD LYS 132 1HD LYS 132 58.672 55.639 42.496 1043 1HE LYS 132 2HE LYS 132 57.328 53.922 44.034 1044 2HE LYS 132 1HE LYS 132 56.018 55.163 43.882 1045 1HZ LYS 132 2HZ LYS 132 57.445 53.873 41.568 1046 2HZ LYS 132 1HZ LYS 132 55.968 53.397 42.149 1047 3HZ LYS 132 3HZ LYS 132 56.073 54.872 41.455 1048 H LYS 133 H LYS 133 59.420 59.903 46.141 1049 HA LYS 133 HA LYS 133 57.246 61.062 45.596 1050 1HB LYS 133 2HB LYS 133 59.329 62.509 45.238 1051 2HB LYS 133 1HB LYS 133 59.146 61.983 43.483 1052 1HG LYS 133 2HG LYS 133 56.798 62.813 43.479 1053 2HG LYS 133 1HG LYS 133 56.972 63.225 45.256 1054 1HD LYS 133 2HD LYS 133 57.116 65.359 43.883 1055 2HD LYS 133 1HD LYS 133 58.792 64.917 44.412 1056 1HE LYS 133 2HE LYS 133 59.202 63.799 42.278 1057 2HE LYS 133 1HE LYS 133 57.439 63.949 41.805 1058 1HZ LYS 133 2HZ LYS 133 58.821 66.429 42.417 1059 2HZ LYS 133 1HZ LYS 133 59.201 65.704 40.980 1060 3HZ LYS 133 3HZ LYS 133 57.614 66.137 41.316 1061 H LYS 134 H LYS 134 55.688 60.097 44.888 1062 HA LYS 134 HA LYS 134 53.945 59.543 43.376 1063 1HB LYS 134 2HB LYS 134 54.658 61.779 42.323 1064 2HB LYS 134 1HB LYS 134 55.748 60.911 41.202 1065 1HG LYS 134 2HG LYS 134 53.982 59.978 39.961 1066 2HG LYS 134 1HG LYS 134 52.854 59.988 41.399 1067 1HD LYS 134 2HD LYS 134 54.043 62.619 40.378 1068 2HD LYS 134 1HD LYS 134 52.658 61.817 39.467 1069 1HE LYS 134 2HE LYS 134 51.809 61.524 42.063 1070 2HE LYS 134 1HE LYS 134 52.541 63.202 42.035 1071 1HZ LYS 134 3HZ LYS 134 51.180 63.319 39.785 1072 2HZ LYS 134 2HZ LYS 134 50.318 62.087 40.382 1073 3HZ LYS 134 1HZ LYS 134 50.406 63.543 41.261 No H/Q in entry = 1073 Start of MODEL 2 1 1H MET 1 1H MET 1 63.001 77.268 46.935 2 2H MET 1 3H MET 1 63.175 76.740 45.382 3 3H MET 1 2H MET 1 61.814 77.611 45.812 4 HA MET 1 HA MET 1 60.748 75.831 46.699 5 1HB MET 1 2HB MET 1 62.992 74.538 44.916 6 2HB MET 1 1HB MET 1 61.576 73.614 45.616 7 1HG MET 1 2HG MET 1 60.928 76.240 44.205 8 2HG MET 1 1HG MET 1 61.491 74.970 43.188 9 1HE MET 1 1HE MET 1 59.096 76.049 42.632 10 2HE MET 1 3HE MET 1 57.459 75.472 43.243 11 3HE MET 1 2HE MET 1 58.308 76.638 44.156 12 H THR 2 H THR 2 61.735 76.515 48.763 13 HA THR 2 HA THR 2 63.713 74.532 49.816 14 HB THR 2 HB THR 2 62.910 75.940 52.035 15 HG1 THR 2 1HG THR 2 62.318 77.897 51.487 16 1HG2 THR 2 2HG2 THR 2 65.339 75.550 51.013 17 2HG2 THR 2 1HG2 THR 2 65.052 76.925 49.933 18 3HG2 THR 2 3HG2 THR 2 65.158 77.214 51.666 19 H LYS 3 H LYS 3 60.592 75.957 50.666 20 HA LYS 3 HA LYS 3 59.938 73.421 52.219 21 1HB LYS 3 2HB LYS 3 59.660 76.274 52.679 22 2HB LYS 3 1HB LYS 3 57.993 75.585 52.597 23 1HG LYS 3 2HG LYS 3 58.349 74.492 54.622 24 2HG LYS 3 1HG LYS 3 59.994 73.915 54.105 25 1HD LYS 3 2HD LYS 3 60.018 75.683 56.043 26 2HD LYS 3 1HD LYS 3 61.033 75.995 54.564 27 1HE LYS 3 2HE LYS 3 59.733 77.793 53.949 28 2HE LYS 3 1HE LYS 3 58.211 77.039 54.734 29 1HZ LYS 3 3HZ LYS 3 60.529 77.934 56.370 30 2HZ LYS 3 2HZ LYS 3 59.236 78.988 56.013 31 3HZ LYS 3 1HZ LYS 3 59.025 77.593 56.879 32 H ASP 4 H ASP 4 58.295 75.746 50.069 33 HA ASP 4 HA ASP 4 55.793 74.546 49.850 34 1HB ASP 4 2HB ASP 4 57.381 76.328 47.929 35 2HB ASP 4 1HB ASP 4 55.986 75.347 47.297 36 H GLN 5 H GLN 5 55.446 72.383 49.591 37 HA GLN 5 HA GLN 5 56.759 71.035 47.214 38 1HB GLN 5 2HB GLN 5 57.104 70.503 49.988 39 2HB GLN 5 1HB GLN 5 55.567 69.521 49.628 40 1HG GLN 5 2HG GLN 5 57.700 68.230 49.367 41 2HG GLN 5 1HG GLN 5 56.761 68.402 47.777 42 1HE2 GLN 5 2HE2 GLN 5 59.804 69.073 46.370 43 2HE2 GLN 5 1HE2 GLN 5 58.523 67.879 46.645 44 H ASN 6 H ASN 6 54.780 68.936 47.938 45 HA ASN 6 HA ASN 6 52.397 68.827 48.012 46 1HB ASN 6 2HB ASN 6 52.616 70.844 45.611 47 2HB ASN 6 1HB ASN 6 51.056 69.942 46.027 48 1HD2 ASN 6 2HD2 ASN 6 50.888 71.849 49.185 49 2HD2 ASN 6 1HD2 ASN 6 51.151 70.039 48.773 50 H GLY 7 H GLY 7 51.684 67.074 47.395 51 1HA GLY 7 1HA GLY 7 51.182 66.003 44.941 52 2HA GLY 7 2HA GLY 7 52.987 65.781 45.111 53 H THR 8 H THR 8 52.072 63.649 44.762 54 HA THR 8 HA THR 8 51.539 62.271 47.368 55 HB THR 8 HB THR 8 49.924 62.123 44.902 56 HG1 THR 8 1HG THR 8 48.703 61.325 46.426 57 1HG2 THR 8 2HG2 THR 8 51.685 60.192 44.390 58 2HG2 THR 8 1HG2 THR 8 51.230 59.480 46.012 59 3HG2 THR 8 3HG2 THR 8 50.015 59.563 44.696 60 H TRP 9 H TRP 9 52.420 60.391 47.533 61 HA TRP 9 HA TRP 9 54.707 59.681 45.755 62 1HB TRP 9 2HB TRP 9 55.608 59.890 48.612 63 2HB TRP 9 1HB TRP 9 56.544 60.136 47.102 64 HD1 TRP 9 HD1 TRP 9 53.481 62.249 48.377 65 HE1 TRP 9 HE1 TRP 9 54.057 64.751 48.428 66 HE3 TRP 9 HE3 TRP 9 58.007 61.626 46.994 67 HZ2 TRP 9 HZ2 TRP 9 56.346 66.118 47.862 68 HZ3 TRP 9 HZ3 TRP 9 59.537 63.577 46.712 69 HH2 TRP 9 HH2 TRP 9 58.711 65.784 47.136 70 H GLU 10 H GLU 10 54.350 57.535 45.387 71 HA GLU 10 HA GLU 10 53.110 55.981 47.529 72 1HB GLU 10 2HB GLU 10 54.623 54.739 45.133 73 2HB GLU 10 1HB GLU 10 53.246 54.081 46.133 74 1HG GLU 10 2HG GLU 10 52.487 56.696 45.001 75 2HG GLU 10 1HG GLU 10 53.361 55.671 43.713 76 H MET 11 H MET 11 54.367 55.914 49.280 77 HA MET 11 HA MET 11 57.091 55.931 49.796 78 1HB MET 11 2HB MET 11 55.110 55.639 51.525 79 2HB MET 11 1HB MET 11 54.954 53.931 50.836 80 1HG MET 11 2HG MET 11 57.499 53.721 51.624 81 2HG MET 11 1HG MET 11 57.025 55.016 52.710 82 1HE MET 11 1HE MET 11 54.879 55.010 54.024 83 2HE MET 11 3HE MET 11 53.982 53.616 54.699 84 3HE MET 11 2HE MET 11 55.562 53.923 55.307 85 H GLU 12 H GLU 12 55.256 53.234 48.610 86 HA GLU 12 HA GLU 12 55.942 51.559 47.190 87 1HB GLU 12 2HB GLU 12 57.949 53.323 46.763 88 2HB GLU 12 1HB GLU 12 58.865 52.040 47.691 89 1HG GLU 12 2HG GLU 12 57.652 50.361 46.073 90 2HG GLU 12 1HG GLU 12 57.424 51.871 44.976 91 H SER 13 H SER 13 58.280 51.990 49.891 92 HA SER 13 HA SER 13 57.390 49.396 51.038 93 1HB SER 13 2HB SER 13 59.942 49.823 49.453 94 2HB SER 13 1HB SER 13 60.130 48.930 51.069 95 HG SER 13 HG SER 13 58.106 47.907 49.909 96 H ASN 14 H ASN 14 59.069 48.789 52.698 97 HA ASN 14 HA ASN 14 60.229 51.035 54.197 98 1HB ASN 14 2HB ASN 14 58.708 50.077 56.307 99 2HB ASN 14 1HB ASN 14 57.869 51.183 55.105 100 1HD2 ASN 14 2HD2 ASN 14 56.156 48.565 53.559 101 2HD2 ASN 14 1HD2 ASN 14 56.779 50.335 53.487 102 H GLU 15 H GLU 15 61.025 50.458 56.324 103 HA GLU 15 HA GLU 15 62.448 47.894 55.743 104 1HB GLU 15 2HB GLU 15 62.787 50.248 57.767 105 2HB GLU 15 1HB GLU 15 63.759 48.790 58.038 106 1HG GLU 15 2HG GLU 15 63.710 50.369 55.397 107 2HG GLU 15 1HG GLU 15 65.080 50.270 56.714 108 H ASN 16 H ASN 16 61.550 49.214 58.984 109 HA ASN 16 HA ASN 16 60.279 46.587 59.622 110 1HB ASN 16 2HB ASN 16 60.716 47.468 62.123 111 2HB ASN 16 1HB ASN 16 62.083 46.777 61.089 112 1HD2 ASN 16 2HD2 ASN 16 62.369 50.507 62.501 113 2HD2 ASN 16 1HD2 ASN 16 61.100 49.196 63.086 114 H PHE 17 H PHE 17 58.281 46.585 60.106 115 HA PHE 17 HA PHE 17 56.884 49.262 60.760 116 1HB PHE 17 2HB PHE 17 54.759 47.922 60.084 117 2HB PHE 17 1HB PHE 17 55.936 48.437 58.758 118 HD1 PHE 17 HD1 PHE 17 57.306 46.901 57.709 119 HD2 PHE 17 HD2 PHE 17 54.484 45.515 60.571 120 HE1 PHE 17 HE1 PHE 17 57.574 44.516 56.929 121 HE2 PHE 17 HE2 PHE 17 54.720 43.162 59.831 122 HZ PHE 17 HZ PHE 17 56.292 42.646 57.969 123 H GLU 18 H GLU 18 56.990 45.812 61.437 124 HA GLU 18 HA GLU 18 55.280 45.916 63.852 125 1HB GLU 18 2HB GLU 18 56.654 43.960 62.177 126 2HB GLU 18 1HB GLU 18 57.474 43.914 63.803 127 1HG GLU 18 2HG GLU 18 55.576 43.234 64.976 128 2HG GLU 18 1HG GLU 18 54.444 43.724 63.546 129 H GLY 19 H GLY 19 58.709 46.151 63.239 130 1HA GLY 19 1HA GLY 19 59.371 46.011 66.079 131 2HA GLY 19 2HA GLY 19 60.505 46.620 64.841 132 H TYR 20 H TYR 20 58.387 48.551 63.840 133 HA TYR 20 HA TYR 20 59.011 50.766 65.750 134 1HB TYR 20 2HB TYR 20 58.895 51.104 63.291 135 2HB TYR 20 1HB TYR 20 57.228 50.385 63.218 136 HD1 TYR 20 HD2 TYR 20 57.895 52.552 66.016 137 HD2 TYR 20 HD1 TYR 20 56.707 52.296 61.959 138 HE1 TYR 20 HE2 TYR 20 56.896 54.804 66.259 139 HE2 TYR 20 HE1 TYR 20 55.650 54.571 62.108 140 HH TYR 20 HH TYR 20 56.331 56.711 64.668 141 H MET 21 H MET 21 56.189 48.806 64.780 142 HA MET 21 HA MET 21 54.251 50.106 66.395 143 1HB MET 21 2HB MET 21 54.811 47.395 65.063 144 2HB MET 21 1HB MET 21 53.432 47.523 66.194 145 1HG MET 21 2HG MET 21 53.347 49.934 64.605 146 2HG MET 21 1HG MET 21 53.784 48.744 63.391 147 1HE MET 21 3HE MET 21 51.766 49.090 61.947 148 2HE MET 21 2HE MET 21 50.136 48.977 62.442 149 3HE MET 21 1HE MET 21 51.128 50.391 63.030 150 H LYS 22 H LYS 22 56.733 47.967 66.945 151 HA LYS 22 HA LYS 22 55.829 46.939 69.532 152 1HB LYS 22 2HB LYS 22 58.233 46.562 67.641 153 2HB LYS 22 1HB LYS 22 58.614 46.422 69.426 154 1HG LYS 22 2HG LYS 22 56.344 44.955 69.395 155 2HG LYS 22 1HG LYS 22 56.907 44.715 67.668 156 1HD LYS 22 2HD LYS 22 58.615 44.391 70.203 157 2HD LYS 22 1HD LYS 22 58.000 43.015 69.152 158 1HE LYS 22 2HE LYS 22 59.226 44.412 67.196 159 2HE LYS 22 1HE LYS 22 60.076 45.252 68.561 160 1HZ LYS 22 2HZ LYS 22 60.560 42.774 69.229 161 2HZ LYS 22 1HZ LYS 22 60.252 42.485 67.614 162 3HZ LYS 22 3HZ LYS 22 61.494 43.488 68.057 163 H ALA 23 H ALA 23 57.618 49.582 68.330 164 HA ALA 23 HA ALA 23 59.003 50.066 70.799 165 1HB ALA 23 1HB ALA 23 58.453 51.782 68.377 166 2HB ALA 23 3HB ALA 23 59.294 52.489 69.864 167 3HB ALA 23 2HB ALA 23 60.038 51.083 68.985 168 H LEU 24 H LEU 24 56.008 51.101 69.352 169 HA LEU 24 HA LEU 24 55.315 52.790 71.730 170 1HB LEU 24 2HB LEU 24 53.015 51.835 69.999 171 2HB LEU 24 1HB LEU 24 53.510 53.560 70.332 172 HG LEU 24 HG LEU 24 54.478 51.755 68.080 173 1HD1 LEU 24 3HD1 LEU 24 52.989 54.397 68.396 174 2HD1 LEU 24 2HD1 LEU 24 53.771 53.939 66.820 175 3HD1 LEU 24 1HD1 LEU 24 52.492 52.910 67.466 176 1HD2 LEU 24 2HD2 LEU 24 56.185 53.637 69.525 177 2HD2 LEU 24 1HD2 LEU 24 56.535 52.907 67.953 178 3HD2 LEU 24 3HD2 LEU 24 55.637 54.452 67.988 179 H ASP 25 H ASP 25 55.334 49.736 70.576 180 HA ASP 25 HA ASP 25 54.679 47.600 71.183 181 1HB ASP 25 2HB ASP 25 55.735 48.686 73.463 182 2HB ASP 25 1HB ASP 25 53.964 48.722 73.908 183 H ILE 26 H ILE 26 53.168 47.789 69.796 184 HA ILE 26 HA ILE 26 50.400 47.785 70.948 185 HB ILE 26 HB ILE 26 50.941 49.773 69.438 186 1HG1 ILE 26 2HG1 ILE 26 48.995 47.881 68.061 187 2HG1 ILE 26 1HG1 ILE 26 48.691 48.806 69.618 188 1HG2 ILE 26 1HG2 ILE 26 52.290 47.811 67.841 189 2HG2 ILE 26 3HG2 ILE 26 50.715 48.044 67.000 190 3HG2 ILE 26 2HG2 ILE 26 51.791 49.467 67.278 191 1HD1 ILE 26 2HD1 ILE 26 49.936 50.383 67.334 192 2HD1 ILE 26 1HD1 ILE 26 48.253 49.844 67.017 193 3HD1 ILE 26 3HD1 ILE 26 48.642 50.841 68.507 194 H ASP 27 H ASP 27 51.828 45.635 71.247 195 HA ASP 27 HA ASP 27 51.972 43.842 68.962 196 1HB ASP 27 2HB ASP 27 51.981 43.259 72.011 197 2HB ASP 27 1HB ASP 27 52.587 42.118 70.667 198 H PHE 28 H PHE 28 51.063 41.398 69.738 199 HA PHE 28 HA PHE 28 49.242 40.075 69.784 200 1HB PHE 28 2HB PHE 28 47.654 42.379 71.025 201 2HB PHE 28 1HB PHE 28 47.527 40.592 71.345 202 HD1 PHE 28 HD2 PHE 28 50.108 39.703 72.033 203 HD2 PHE 28 HD1 PHE 28 48.395 43.571 72.772 204 HE1 PHE 28 HE2 PHE 28 51.628 40.011 73.913 205 HE2 PHE 28 HE1 PHE 28 49.962 43.946 74.706 206 HZ PHE 28 HZ PHE 28 51.584 42.187 75.300 207 H ALA 29 H ALA 29 49.641 41.254 67.428 208 HA ALA 29 HA ALA 29 48.519 41.269 65.309 209 1HB ALA 29 1HB ALA 29 46.523 40.085 66.797 210 2HB ALA 29 3HB ALA 29 45.852 41.759 66.720 211 3HB ALA 29 2HB ALA 29 46.190 40.802 65.177 212 H THR 30 H THR 30 47.465 42.477 64.034 213 HA THR 30 HA THR 30 46.490 44.629 63.455 214 HB THR 30 HB THR 30 46.879 45.707 65.719 215 HG1 THR 30 1HG THR 30 46.226 47.033 64.250 216 1HG2 THR 30 1HG2 THR 30 49.488 45.137 65.421 217 2HG2 THR 30 3HG2 THR 30 49.442 46.611 64.295 218 3HG2 THR 30 2HG2 THR 30 49.056 46.752 66.097 219 H ARG 31 H ARG 31 49.599 43.455 64.016 220 HA ARG 31 HA ARG 31 50.740 44.283 61.347 221 1HB ARG 31 2HB ARG 31 52.844 43.206 62.561 222 2HB ARG 31 1HB ARG 31 52.480 44.954 62.593 223 1HG ARG 31 2HG ARG 31 53.010 44.253 64.968 224 2HG ARG 31 1HG ARG 31 51.224 44.563 64.835 225 1HD ARG 31 2HD ARG 31 51.322 42.414 65.866 226 2HD ARG 31 1HD ARG 31 51.382 41.857 64.134 227 HE ARG 31 HE ARG 31 53.579 41.285 64.399 228 1HH1 ARG 31 2HH2 ARG 31 52.487 43.160 67.208 229 2HH1 ARG 31 1HH2 ARG 31 53.901 42.853 68.183 230 1HH2 ARG 31 2HH1 ARG 31 55.492 40.857 65.700 231 2HH2 ARG 31 1HH1 ARG 31 55.646 41.526 67.329 232 H LYS 32 H LYS 32 52.123 42.558 60.367 233 HA LYS 32 HA LYS 32 52.498 40.405 59.685 234 1HB LYS 32 2HB LYS 32 50.253 39.391 61.522 235 2HB LYS 32 1HB LYS 32 51.651 38.523 60.783 236 1HG LYS 32 2HG LYS 32 52.869 40.589 62.419 237 2HG LYS 32 1HG LYS 32 51.565 39.912 63.430 238 1HD LYS 32 2HD LYS 32 52.406 37.500 62.573 239 2HD LYS 32 1HD LYS 32 53.857 38.460 62.107 240 1HE LYS 32 2HE LYS 32 53.331 39.422 64.736 241 2HE LYS 32 1HE LYS 32 52.866 37.651 64.798 242 1HZ LYS 32 2HZ LYS 32 55.433 38.459 63.616 243 2HZ LYS 32 1HZ LYS 32 55.300 37.994 65.212 244 3HZ LYS 32 3HZ LYS 32 54.811 36.964 64.011 245 H ILE 33 H ILE 33 50.228 42.474 59.462 246 HA ILE 33 HA ILE 33 48.844 41.097 57.254 247 HB ILE 33 HB ILE 33 47.378 42.696 59.488 248 1HG1 ILE 33 2HG1 ILE 33 45.974 40.300 59.142 249 2HG1 ILE 33 1HG1 ILE 33 47.706 39.762 59.044 250 1HG2 ILE 33 2HG2 ILE 33 46.351 41.404 56.855 251 2HG2 ILE 33 1HG2 ILE 33 45.323 42.218 58.116 252 3HG2 ILE 33 3HG2 ILE 33 46.515 43.157 57.156 253 1HD1 ILE 33 3HD1 ILE 33 47.890 41.527 61.150 254 2HD1 ILE 33 2HD1 ILE 33 46.087 41.294 61.228 255 3HD1 ILE 33 1HD1 ILE 33 47.164 39.882 61.460 256 H ALA 34 H ALA 34 48.932 44.018 59.312 257 HA ALA 34 HA ALA 34 48.693 45.791 56.943 258 1HB ALA 34 3HB ALA 34 47.866 46.077 59.525 259 2HB ALA 34 2HB ALA 34 49.440 46.929 59.633 260 3HB ALA 34 1HB ALA 34 48.177 47.485 58.453 261 H VAL 35 H VAL 35 50.619 44.548 56.192 262 HA VAL 35 HA VAL 35 53.233 45.619 57.085 263 HB VAL 35 HB VAL 35 52.206 43.765 54.833 264 1HG1 VAL 35 1HG1 VAL 35 55.051 45.024 55.049 265 2HG1 VAL 35 3HG1 VAL 35 54.687 43.547 54.124 266 3HG1 VAL 35 2HG1 VAL 35 53.858 45.065 53.650 267 1HG2 VAL 35 3HG2 VAL 35 53.078 43.166 57.403 268 2HG2 VAL 35 2HG2 VAL 35 53.161 42.054 55.973 269 3HG2 VAL 35 1HG2 VAL 35 54.621 43.072 56.450 270 H ARG 36 H ARG 36 51.080 45.636 54.499 271 HA ARG 36 HA ARG 36 50.978 48.270 53.628 272 1HB ARG 36 2HB ARG 36 53.596 47.841 53.105 273 2HB ARG 36 1HB ARG 36 52.884 46.829 51.743 274 1HG ARG 36 2HG ARG 36 53.039 48.914 50.681 275 2HG ARG 36 1HG ARG 36 51.399 49.085 51.481 276 1HD ARG 36 2HD ARG 36 53.833 49.799 53.043 277 2HD ARG 36 1HD ARG 36 53.278 51.014 51.844 278 HE ARG 36 HE ARG 36 50.928 50.447 53.218 279 1HH1 ARG 36 1HH2 ARG 36 54.198 50.899 54.539 280 2HH1 ARG 36 2HH2 ARG 36 53.623 51.476 56.110 281 1HH2 ARG 36 1HH1 ARG 36 50.160 51.151 55.124 282 2HH2 ARG 36 2HH1 ARG 36 51.265 51.612 56.432 283 H LEU 37 H LEU 37 49.120 48.250 52.891 284 HA LEU 37 HA LEU 37 48.411 45.821 51.303 285 1HB LEU 37 2HB LEU 37 46.053 46.886 51.292 286 2HB LEU 37 1HB LEU 37 46.729 46.373 52.937 287 HG LEU 37 HG LEU 37 47.306 48.638 53.497 288 1HD1 LEU 37 2HD1 LEU 37 46.593 49.188 50.597 289 2HD1 LEU 37 1HD1 LEU 37 46.402 50.541 51.773 290 3HD1 LEU 37 3HD1 LEU 37 48.036 49.774 51.514 291 1HD2 LEU 37 2HD2 LEU 37 44.562 48.251 52.199 292 2HD2 LEU 37 1HD2 LEU 37 44.984 47.892 53.946 293 3HD2 LEU 37 3HD2 LEU 37 44.904 49.611 53.324 294 H THR 38 H THR 38 49.685 48.809 50.738 295 HA THR 38 HA THR 38 50.095 48.712 48.048 296 HB THR 38 HB THR 38 47.284 49.342 48.715 297 HG1 THR 38 1HG THR 38 48.846 48.700 46.497 298 1HG2 THR 38 2HG2 THR 38 48.892 51.451 47.045 299 2HG2 THR 38 1HG2 THR 38 47.197 51.021 46.678 300 3HG2 THR 38 3HG2 THR 38 47.591 51.682 48.312 301 H GLN 39 H GLN 39 48.577 51.329 50.060 302 HA GLN 39 HA GLN 39 49.354 53.204 50.872 303 1HB GLN 39 2HB GLN 39 51.285 51.626 51.564 304 2HB GLN 39 1HB GLN 39 52.170 52.249 50.107 305 1HG GLN 39 2HG GLN 39 50.853 54.271 51.912 306 2HG GLN 39 1HG GLN 39 52.421 53.554 52.505 307 1HE2 GLN 39 1HE2 GLN 39 53.346 56.580 50.893 308 2HE2 GLN 39 2HE2 GLN 39 52.408 56.003 52.245 309 H THR 40 H THR 40 49.879 55.053 50.496 310 HA THR 40 HA THR 40 51.322 56.326 48.299 311 HB THR 40 HB THR 40 48.273 56.516 48.461 312 HG1 THR 40 1HG THR 40 49.685 56.323 46.087 313 1HG2 THR 40 1HG2 THR 40 50.547 58.349 47.540 314 2HG2 THR 40 3HG2 THR 40 49.104 58.280 46.425 315 3HG2 THR 40 2HG2 THR 40 48.881 58.823 48.134 316 H LYS 41 H LYS 41 52.478 57.562 49.523 317 HA LYS 41 HA LYS 41 51.043 58.869 51.810 318 1HB LYS 41 2HB LYS 41 53.490 58.150 52.147 319 2HB LYS 41 1HB LYS 41 53.913 59.031 50.582 320 1HG LYS 41 2HG LYS 41 52.771 60.639 52.886 321 2HG LYS 41 1HG LYS 41 54.458 60.006 53.032 322 1HD LYS 41 2HD LYS 41 54.511 61.017 50.428 323 2HD LYS 41 1HD LYS 41 53.100 61.935 51.074 324 1HE LYS 41 2HE LYS 41 55.131 63.285 51.307 325 2HE LYS 41 1HE LYS 41 54.355 62.802 52.920 326 1HZ LYS 41 3HZ LYS 41 56.109 61.039 52.915 327 2HZ LYS 41 2HZ LYS 41 56.784 61.662 51.543 328 3HZ LYS 41 1HZ LYS 41 56.828 62.544 52.965 329 H ILE 42 H ILE 42 50.654 61.061 52.045 330 HA ILE 42 HA ILE 42 51.254 62.734 49.593 331 HB ILE 42 HB ILE 42 48.527 62.876 51.070 332 1HG1 ILE 42 2HG1 ILE 42 48.296 62.259 48.292 333 2HG1 ILE 42 1HG1 ILE 42 49.253 60.924 49.115 334 1HG2 ILE 42 2HG2 ILE 42 49.418 64.196 48.399 335 2HG2 ILE 42 1HG2 ILE 42 47.818 64.214 49.170 336 3HG2 ILE 42 3HG2 ILE 42 49.104 65.056 49.995 337 1HD1 ILE 42 3HD1 ILE 42 47.314 61.232 51.019 338 2HD1 ILE 42 2HD1 ILE 42 46.359 61.773 49.551 339 3HD1 ILE 42 1HD1 ILE 42 47.075 60.137 49.584 340 H ILE 43 H ILE 43 51.162 64.850 49.744 341 HA ILE 43 HA ILE 43 51.548 65.940 52.570 342 HB ILE 43 HB ILE 43 53.548 65.298 51.164 343 1HG1 ILE 43 2HG1 ILE 43 53.461 68.305 51.722 344 2HG1 ILE 43 1HG1 ILE 43 53.435 67.028 53.076 345 1HG2 ILE 43 2HG2 ILE 43 52.601 66.354 48.997 346 2HG2 ILE 43 1HG2 ILE 43 52.947 67.984 49.742 347 3HG2 ILE 43 3HG2 ILE 43 54.330 66.848 49.392 348 1HD1 ILE 43 1HD1 ILE 43 55.468 66.573 50.968 349 2HD1 ILE 43 3HD1 ILE 43 55.843 68.092 51.909 350 3HD1 ILE 43 2HD1 ILE 43 55.670 66.528 52.757 351 H VAL 44 H VAL 44 50.159 67.515 52.938 352 HA VAL 44 HA VAL 44 48.875 68.791 50.484 353 HB VAL 44 HB VAL 44 48.167 68.255 53.321 354 1HG1 VAL 44 1HG1 VAL 44 48.470 70.691 53.632 355 2HG1 VAL 44 3HG1 VAL 44 47.471 70.960 52.102 356 3HG1 VAL 44 2HG1 VAL 44 46.701 70.320 53.572 357 1HG2 VAL 44 2HG2 VAL 44 46.729 68.644 50.648 358 2HG2 VAL 44 1HG2 VAL 44 46.625 67.268 51.764 359 3HG2 VAL 44 3HG2 VAL 44 45.705 68.794 52.148 360 H GLN 45 H GLN 45 50.844 69.444 53.311 361 HA GLN 45 HA GLN 45 51.259 71.627 54.240 362 1HB GLN 45 2HB GLN 45 53.115 70.162 53.603 363 2HB GLN 45 1HB GLN 45 53.380 71.049 52.047 364 1HG GLN 45 2HG GLN 45 53.243 73.222 53.648 365 2HG GLN 45 1HG GLN 45 53.631 71.901 54.952 366 1HE2 GLN 45 2HE2 GLN 45 56.691 73.567 53.579 367 2HE2 GLN 45 1HE2 GLN 45 55.055 74.133 54.350 368 H ASP 46 H ASP 46 49.836 72.961 54.084 369 HA ASP 46 HA ASP 46 49.858 74.680 51.692 370 1HB ASP 46 2HB ASP 46 47.669 74.258 52.423 371 2HB ASP 46 1HB ASP 46 48.107 74.386 54.218 372 H GLY 47 H GLY 47 50.780 74.868 55.080 373 1HA GLY 47 1HA GLY 47 52.798 76.728 54.947 374 2HA GLY 47 2HA GLY 47 51.370 77.849 55.067 375 H ASP 48 H ASP 48 50.615 78.341 56.867 376 HA ASP 48 HA ASP 48 52.000 77.744 59.294 377 1HB ASP 48 2HB ASP 48 49.077 78.654 58.764 378 2HB ASP 48 1HB ASP 48 49.882 78.602 60.467 379 H ASN 49 H ASN 49 49.538 76.118 57.654 380 HA ASN 49 HA ASN 49 49.358 73.851 59.648 381 1HB ASN 49 2HB ASN 49 47.148 75.169 59.255 382 2HB ASN 49 1HB ASN 49 47.244 74.495 57.512 383 1HD2 ASN 49 1HD2 ASN 49 45.466 72.306 60.200 384 2HD2 ASN 49 2HD2 ASN 49 45.564 74.159 59.999 385 H PHE 50 H PHE 50 49.723 71.810 58.940 386 HA PHE 50 HA PHE 50 49.993 71.315 56.076 387 1HB PHE 50 2HB PHE 50 52.207 72.189 56.494 388 2HB PHE 50 1HB PHE 50 52.305 71.288 58.081 389 HD1 PHE 50 HD1 PHE 50 50.849 69.520 55.200 390 HD2 PHE 50 HD2 PHE 50 54.380 70.382 57.519 391 HE1 PHE 50 HE1 PHE 50 51.976 67.512 54.228 392 HE2 PHE 50 HE2 PHE 50 55.513 68.425 56.586 393 HZ PHE 50 HZ PHE 50 54.325 67.029 54.979 394 H LYS 51 H LYS 51 48.809 69.413 55.777 395 HA LYS 51 HA LYS 51 49.170 67.403 58.000 396 1HB LYS 51 2HB LYS 51 46.749 67.740 56.075 397 2HB LYS 51 1HB LYS 51 46.834 66.769 57.647 398 1HG LYS 51 2HG LYS 51 46.388 68.733 58.903 399 2HG LYS 51 1HG LYS 51 47.306 69.786 57.781 400 1HD LYS 51 2HD LYS 51 45.573 69.411 56.084 401 2HD LYS 51 1HD LYS 51 44.636 68.345 57.300 402 1HE LYS 51 2HE LYS 51 45.337 71.005 58.370 403 2HE LYS 51 1HE LYS 51 44.277 71.097 56.839 404 1HZ LYS 51 2HZ LYS 51 43.699 69.398 59.207 405 2HZ LYS 51 1HZ LYS 51 42.994 70.866 58.969 406 3HZ LYS 51 3HZ LYS 51 42.730 69.638 57.848 407 H THR 52 H THR 52 50.941 66.532 57.010 408 HA THR 52 HA THR 52 50.767 65.298 54.359 409 HB THR 52 HB THR 52 52.533 65.090 56.808 410 HG1 THR 52 1HG THR 52 53.332 64.347 54.340 411 1HG2 THR 52 2HG2 THR 52 52.102 62.653 54.850 412 2HG2 THR 52 1HG2 THR 52 53.404 62.713 56.127 413 3HG2 THR 52 3HG2 THR 52 51.675 62.612 56.608 414 H LYS 53 H LYS 53 49.618 63.538 53.605 415 HA LYS 53 HA LYS 53 48.629 61.755 55.853 416 1HB LYS 53 2HB LYS 53 46.213 61.969 54.643 417 2HB LYS 53 1HB LYS 53 46.804 63.317 55.699 418 1HG LYS 53 2HG LYS 53 47.271 64.678 53.836 419 2HG LYS 53 1HG LYS 53 47.473 63.179 52.744 420 1HD LYS 53 2HD LYS 53 44.817 64.078 53.880 421 2HD LYS 53 1HD LYS 53 45.458 64.578 52.203 422 1HE LYS 53 2HE LYS 53 45.086 62.505 51.313 423 2HE LYS 53 1HE LYS 53 45.396 61.626 52.896 424 1HZ LYS 53 3HZ LYS 53 43.284 62.852 53.599 425 2HZ LYS 53 2HZ LYS 53 42.953 63.084 52.017 426 3HZ LYS 53 1HZ LYS 53 43.096 61.511 52.589 427 H THR 54 H THR 54 47.828 59.906 55.341 428 HA THR 54 HA THR 54 48.853 58.869 52.724 429 HB THR 54 HB THR 54 49.048 57.960 55.470 430 HG1 THR 54 1HG THR 54 50.798 57.956 54.606 431 1HG2 THR 54 2HG2 THR 54 47.174 56.292 54.558 432 2HG2 THR 54 1HG2 THR 54 48.449 55.706 53.403 433 3HG2 THR 54 3HG2 THR 54 48.671 55.503 55.168 434 H ASN 55 H ASN 55 47.826 57.196 51.677 435 HA ASN 55 HA ASN 55 44.866 56.998 52.221 436 1HB ASN 55 2HB ASN 55 45.790 58.890 50.473 437 2HB ASN 55 1HB ASN 55 45.562 57.436 49.324 438 1HD2 ASN 55 1HD2 ASN 55 42.487 59.666 50.795 439 2HD2 ASN 55 2HD2 ASN 55 44.298 60.073 51.036 440 H SER 56 H SER 56 46.459 55.297 52.903 441 HA SER 56 HA SER 56 47.027 52.955 51.208 442 1HB SER 56 2HB SER 56 47.192 53.668 54.149 443 2HB SER 56 1HB SER 56 46.849 51.902 53.628 444 HG SER 56 HG SER 56 48.585 51.953 52.386 445 H THR 57 H THR 57 44.985 52.790 54.050 446 HA THR 57 HA THR 57 42.482 52.638 53.296 447 HB THR 57 HB THR 57 43.936 50.440 51.847 448 HG1 THR 57 1HG THR 57 42.103 50.770 50.531 449 1HG2 THR 57 2HG2 THR 57 41.457 50.050 53.642 450 2HG2 THR 57 1HG2 THR 57 41.680 49.023 52.137 451 3HG2 THR 57 3HG2 THR 57 42.859 48.996 53.542 452 H PHE 58 H PHE 58 45.266 50.985 54.559 453 HA PHE 58 HA PHE 58 43.783 49.687 56.723 454 1HB PHE 58 2HB PHE 58 46.799 50.162 56.325 455 2HB PHE 58 1HB PHE 58 46.189 49.782 57.978 456 HD1 PHE 58 HD1 PHE 58 44.130 47.695 57.416 457 HD2 PHE 58 HD2 PHE 58 47.852 48.462 55.415 458 HE1 PHE 58 HE1 PHE 58 44.249 45.244 56.651 459 HE2 PHE 58 HE2 PHE 58 47.971 46.156 54.702 460 HZ PHE 58 HZ PHE 58 46.163 44.560 55.320 461 H ARG 59 H ARG 59 45.802 52.447 56.283 462 HA ARG 59 HA ARG 59 44.121 54.058 58.158 463 1HB ARG 59 2HB ARG 59 46.018 54.892 59.554 464 2HB ARG 59 1HB ARG 59 45.597 53.105 59.917 465 1HG ARG 59 2HG ARG 59 47.592 52.409 58.607 466 2HG ARG 59 1HG ARG 59 47.906 54.192 58.254 467 1HD ARG 59 2HD ARG 59 47.452 53.708 61.110 468 2HD ARG 59 1HD ARG 59 48.818 52.748 60.510 469 HE ARG 59 HE ARG 59 48.735 55.616 60.804 470 1HH1 ARG 59 2HH1 ARG 59 50.103 52.867 58.744 471 2HH1 ARG 59 1HH1 ARG 59 51.479 53.772 58.241 472 1HH2 ARG 59 2HH2 ARG 59 50.708 56.708 60.002 473 2HH2 ARG 59 1HH2 ARG 59 51.816 55.922 58.947 474 H ASN 60 H ASN 60 43.725 55.779 57.464 475 HA ASN 60 HA ASN 60 45.708 57.062 55.608 476 1HB ASN 60 2HB ASN 60 42.641 57.528 56.046 477 2HB ASN 60 1HB ASN 60 43.681 58.248 54.683 478 1HD2 ASN 60 1HD2 ASN 60 41.656 55.025 53.906 479 2HD2 ASN 60 2HD2 ASN 60 41.222 56.445 54.843 480 H TYR 61 H TYR 61 45.605 56.975 58.424 481 HA TYR 61 HA TYR 61 45.486 59.981 58.904 482 1HB TYR 61 2HB TYR 61 43.893 58.686 60.337 483 2HB TYR 61 1HB TYR 61 45.310 57.654 60.942 484 HD1 TYR 61 HD1 TYR 61 44.447 61.322 60.564 485 HD2 TYR 61 HD2 TYR 61 46.207 58.177 62.947 486 HE1 TYR 61 HE1 TYR 61 44.951 62.994 62.288 487 HE2 TYR 61 HE2 TYR 61 46.727 59.846 64.713 488 HH TYR 61 HH TYR 61 47.113 62.511 64.656 489 H ASP 62 H ASP 62 47.361 60.526 58.361 490 HA ASP 62 HA ASP 62 49.778 59.308 59.678 491 1HB ASP 62 2HB ASP 62 49.235 60.264 56.954 492 2HB ASP 62 1HB ASP 62 50.791 61.008 57.744 493 H LEU 63 H LEU 63 49.329 62.545 58.159 494 HA LEU 63 HA LEU 63 50.157 63.676 60.851 495 1HB LEU 63 2HB LEU 63 51.506 63.637 58.292 496 2HB LEU 63 1HB LEU 63 50.812 65.322 58.497 497 HG LEU 63 HG LEU 63 52.073 65.432 60.712 498 1HD1 LEU 63 2HD1 LEU 63 52.457 62.508 60.014 499 2HD1 LEU 63 1HD1 LEU 63 53.812 63.323 60.892 500 3HD1 LEU 63 3HD1 LEU 63 52.188 63.265 61.634 501 1HD2 LEU 63 2HD2 LEU 63 53.688 64.315 58.274 502 2HD2 LEU 63 1HD2 LEU 63 53.274 66.052 58.500 503 3HD2 LEU 63 3HD2 LEU 63 54.389 65.231 59.703 504 H ASP 64 H ASP 64 48.715 64.966 61.683 505 HA ASP 64 HA ASP 64 47.456 66.969 59.882 506 1HB ASP 64 2HB ASP 64 45.926 64.883 60.119 507 2HB ASP 64 1HB ASP 64 45.850 65.294 61.951 508 H PHE 65 H PHE 65 48.862 68.425 60.826 509 HA PHE 65 HA PHE 65 47.985 69.331 63.474 510 1HB PHE 65 2HB PHE 65 50.448 69.311 64.293 511 2HB PHE 65 1HB PHE 65 49.649 67.730 63.978 512 HD1 PHE 65 HD1 PHE 65 50.556 69.286 60.771 513 HD2 PHE 65 HD2 PHE 65 52.058 67.131 64.196 514 HE1 PHE 65 HE1 PHE 65 52.375 68.598 59.432 515 HE2 PHE 65 HE2 PHE 65 53.972 66.403 62.784 516 HZ PHE 65 HZ PHE 65 54.143 67.112 60.432 517 H THR 66 H THR 66 50.102 71.221 63.764 518 HA THR 66 HA THR 66 50.259 72.833 61.237 519 HB THR 66 HB THR 66 48.362 73.160 63.454 520 HG1 THR 66 1HG THR 66 47.709 74.600 62.060 521 1HG2 THR 66 3HG2 THR 66 50.605 75.373 63.194 522 2HG2 THR 66 2HG2 THR 66 49.068 75.607 64.026 523 3HG2 THR 66 1HG2 THR 66 50.209 74.391 64.698 524 H VAL 67 H VAL 67 52.085 74.311 61.381 525 HA VAL 67 HA VAL 67 54.245 73.243 63.044 526 HB VAL 67 HB VAL 67 53.811 75.705 61.372 527 1HG1 VAL 67 2HG1 VAL 67 55.836 75.374 63.653 528 2HG1 VAL 67 1HG1 VAL 67 56.441 76.006 62.062 529 3HG1 VAL 67 3HG1 VAL 67 55.109 76.899 62.932 530 1HG2 VAL 67 3HG2 VAL 67 54.596 73.478 60.515 531 2HG2 VAL 67 2HG2 VAL 67 55.805 74.834 60.269 532 3HG2 VAL 67 1HG2 VAL 67 56.074 73.605 61.542 533 H GLY 68 H GLY 68 54.878 73.427 64.930 534 1HA GLY 68 1HA GLY 68 55.271 74.435 66.996 535 2HA GLY 68 2HA GLY 68 54.203 75.890 66.471 536 H VAL 69 H VAL 69 52.462 73.212 65.915 537 HA VAL 69 HA VAL 69 50.456 73.773 67.800 538 HB VAL 69 HB VAL 69 51.391 71.564 66.030 539 1HG1 VAL 69 1HG1 VAL 69 50.086 70.592 68.591 540 2HG1 VAL 69 3HG1 VAL 69 49.845 69.785 66.978 541 3HG1 VAL 69 2HG1 VAL 69 51.508 70.005 67.653 542 1HG2 VAL 69 2HG2 VAL 69 48.847 73.007 66.751 543 2HG2 VAL 69 1HG2 VAL 69 49.459 72.476 65.139 544 3HG2 VAL 69 3HG2 VAL 69 48.538 71.287 66.145 545 H GLU 70 H GLU 70 53.334 71.719 67.953 546 HA GLU 70 HA GLU 70 54.142 70.516 69.840 547 1HB GLU 70 2HB GLU 70 54.173 73.050 70.640 548 2HB GLU 70 1HB GLU 70 52.803 72.497 71.723 549 1HG GLU 70 2HG GLU 70 54.012 71.318 73.070 550 2HG GLU 70 1HG GLU 70 55.157 70.666 71.736 551 H PHE 71 H PHE 71 52.766 69.257 68.910 552 HA PHE 71 HA PHE 71 50.158 68.615 69.861 553 1HB PHE 71 2HB PHE 71 51.780 67.295 68.035 554 2HB PHE 71 1HB PHE 71 51.951 66.202 69.469 555 HD1 PHE 71 HD2 PHE 71 49.073 68.230 68.149 556 HD2 PHE 71 HD1 PHE 71 50.644 64.414 69.126 557 HE1 PHE 71 HE2 PHE 71 46.849 67.213 67.580 558 HE2 PHE 71 HE1 PHE 71 48.531 63.344 68.603 559 HZ PHE 71 HZ PHE 71 46.592 64.676 67.825 560 H ASP 72 H ASP 72 49.866 69.012 71.852 561 HA ASP 72 HA ASP 72 51.388 68.203 74.128 562 1HB ASP 72 2HB ASP 72 49.565 69.936 73.954 563 2HB ASP 72 1HB ASP 72 48.315 68.533 74.096 564 H GLU 73 H GLU 73 51.785 65.855 73.137 565 HA GLU 73 HA GLU 73 51.414 63.533 73.562 566 1HB GLU 73 2HB GLU 73 49.623 64.540 75.825 567 2HB GLU 73 1HB GLU 73 50.855 63.207 75.852 568 1HG GLU 73 2HG GLU 73 52.627 64.993 75.299 569 2HG GLU 73 1HG GLU 73 51.356 66.208 75.971 570 H HIS 74 H HIS 74 49.614 62.172 74.442 571 HA HIS 74 HA HIS 74 47.725 60.969 73.930 572 1HB HIS 74 2HB HIS 74 46.777 63.575 74.471 573 2HB HIS 74 1HB HIS 74 46.096 63.242 72.813 574 HD1 HIS 74 HD1 HIS 74 45.918 60.038 73.304 575 HD2 HIS 74 HD2 HIS 74 44.295 63.100 75.611 576 HE1 HIS 74 HE1 HIS 74 43.886 59.026 74.573 577 HE2 HIS 74 HE2 HIS 74 42.922 60.899 75.955 578 H THR 75 H THR 75 48.538 59.789 72.496 579 HA THR 75 HA THR 75 48.586 60.748 69.703 580 HB THR 75 HB THR 75 49.967 59.055 69.166 581 HG1 THR 75 1HG THR 75 49.462 57.226 69.847 582 1HG2 THR 75 3HG2 THR 75 50.528 60.738 71.372 583 2HG2 THR 75 2HG2 THR 75 50.392 59.186 72.299 584 3HG2 THR 75 1HG2 THR 75 51.713 59.366 71.107 585 H LYS 76 H LYS 76 47.589 57.880 71.405 586 HA LYS 76 HA LYS 76 46.210 56.063 70.948 587 1HB LYS 76 2HB LYS 76 43.907 56.546 70.647 588 2HB LYS 76 1HB LYS 76 44.666 57.768 71.757 589 1HG LYS 76 2HG LYS 76 44.658 58.536 68.812 590 2HG LYS 76 1HG LYS 76 43.053 58.385 69.612 591 1HD LYS 76 2HD LYS 76 44.358 59.693 71.623 592 2HD LYS 76 1HD LYS 76 45.324 60.363 70.252 593 1HE LYS 76 2HE LYS 76 43.677 61.918 70.112 594 2HE LYS 76 1HE LYS 76 42.809 60.613 69.161 595 1HZ LYS 76 2HZ LYS 76 41.812 59.981 71.418 596 2HZ LYS 76 1HZ LYS 76 42.406 61.425 71.988 597 3HZ LYS 76 3HZ LYS 76 41.308 61.429 70.748 598 H GLY 77 H GLY 77 44.796 54.923 69.675 599 1HA GLY 77 1HA GLY 77 44.131 54.066 67.460 600 2HA GLY 77 2HA GLY 77 45.251 55.243 66.671 601 H LEU 78 H LEU 78 47.566 55.002 67.778 602 HA LEU 78 HA LEU 78 48.407 52.217 66.928 603 1HB LEU 78 2HB LEU 78 48.829 54.607 65.754 604 2HB LEU 78 1HB LEU 78 50.200 54.641 66.931 605 HG LEU 78 HG LEU 78 50.641 52.161 66.090 606 1HD1 LEU 78 1HD1 LEU 78 48.905 53.355 63.867 607 2HD1 LEU 78 3HD1 LEU 78 50.190 52.080 63.566 608 3HD1 LEU 78 2HD1 LEU 78 48.834 51.691 64.696 609 1HD2 LEU 78 2HD2 LEU 78 51.573 54.801 65.190 610 2HD2 LEU 78 1HD2 LEU 78 52.447 53.236 65.290 611 3HD2 LEU 78 3HD2 LEU 78 51.550 53.673 63.773 612 H ASP 79 H ASP 79 48.267 54.280 69.715 613 HA ASP 79 HA ASP 79 50.437 52.585 70.824 614 1HB ASP 79 2HB ASP 79 51.734 54.270 69.929 615 2HB ASP 79 1HB ASP 79 50.691 55.664 70.592 616 H GLY 80 H GLY 80 49.179 55.787 71.762 617 1HA GLY 80 1HA GLY 80 47.797 56.537 73.405 618 2HA GLY 80 2HA GLY 80 47.381 54.807 73.882 619 H ARG 81 H ARG 81 49.666 57.340 73.751 620 HA ARG 81 HA ARG 81 50.671 56.873 76.549 621 1HB ARG 81 2HB ARG 81 52.273 56.109 74.460 622 2HB ARG 81 1HB ARG 81 52.644 57.872 74.366 623 1HG ARG 81 2HG ARG 81 54.033 57.741 76.162 624 2HG ARG 81 1HG ARG 81 52.721 57.093 77.165 625 1HD ARG 81 2HD ARG 81 53.171 54.895 75.741 626 2HD ARG 81 1HD ARG 81 54.795 55.672 75.364 627 HE ARG 81 HE ARG 81 54.353 55.726 78.191 628 1HH1 ARG 81 1HH2 ARG 81 55.043 53.524 75.471 629 2HH1 ARG 81 2HH2 ARG 81 55.964 52.333 76.410 630 1HH2 ARG 81 2HH1 ARG 81 55.525 54.205 79.467 631 2HH2 ARG 81 1HH1 ARG 81 56.246 52.735 78.763 632 H ASN 82 H ASN 82 52.760 59.178 76.054 633 HA ASN 82 HA ASN 82 51.108 61.280 75.201 634 1HB ASN 82 2HB ASN 82 51.420 60.744 78.275 635 2HB ASN 82 1HB ASN 82 51.380 62.523 77.622 636 1HD2 ASN 82 1HD2 ASN 82 48.038 60.780 78.494 637 2HD2 ASN 82 2HD2 ASN 82 49.668 60.515 79.105 638 H VAL 83 H VAL 83 52.506 62.068 74.073 639 HA VAL 83 HA VAL 83 55.237 62.888 75.135 640 HB VAL 83 HB VAL 83 54.304 61.635 72.539 641 1HG1 VAL 83 1HG1 VAL 83 55.966 63.411 71.842 642 2HG1 VAL 83 3HG1 VAL 83 57.088 62.808 73.116 643 3HG1 VAL 83 2HG1 VAL 83 56.651 61.782 71.627 644 1HG2 VAL 83 2HG2 VAL 83 54.919 60.283 74.630 645 2HG2 VAL 83 1HG2 VAL 83 55.647 59.757 73.090 646 3HG2 VAL 83 3HG2 VAL 83 56.686 60.698 74.280 647 H LYS 84 H LYS 84 56.206 64.500 74.525 648 HA LYS 84 HA LYS 84 54.714 66.815 73.397 649 1HB LYS 84 2HB LYS 84 57.275 66.441 74.931 650 2HB LYS 84 1HB LYS 84 57.359 67.646 73.552 651 1HG LYS 84 2HG LYS 84 56.625 68.647 75.753 652 2HG LYS 84 1HG LYS 84 55.449 68.798 74.337 653 1HD LYS 84 2HD LYS 84 54.059 68.204 76.094 654 2HD LYS 84 1HD LYS 84 54.304 66.631 75.302 655 1HE LYS 84 2HE LYS 84 54.960 65.892 77.491 656 2HE LYS 84 1HE LYS 84 56.557 66.709 77.039 657 1HZ LYS 84 1HZ LYS 84 54.617 68.622 77.934 658 2HZ LYS 84 3HZ LYS 84 54.920 67.444 79.086 659 3HZ LYS 84 2HZ LYS 84 56.170 68.342 78.436 660 H THR 85 H THR 85 54.200 66.168 71.590 661 HA THR 85 HA THR 85 56.118 65.640 69.334 662 HB THR 85 HB THR 85 53.281 65.091 70.221 663 HG1 THR 85 1HG THR 85 54.383 63.602 70.730 664 1HG2 THR 85 3HG2 THR 85 54.708 65.081 67.361 665 2HG2 THR 85 2HG2 THR 85 53.173 64.073 67.695 666 3HG2 THR 85 1HG2 THR 85 53.131 65.867 67.762 667 H LEU 86 H LEU 86 56.995 67.503 69.329 668 HA LEU 86 HA LEU 86 55.358 69.798 68.428 669 1HB LEU 86 2HB LEU 86 57.336 70.209 70.039 670 2HB LEU 86 1HB LEU 86 58.420 69.482 68.757 671 HG LEU 86 HG LEU 86 56.799 71.915 67.946 672 1HD1 LEU 86 3HD1 LEU 86 59.111 71.736 69.902 673 2HD1 LEU 86 2HD1 LEU 86 58.988 73.146 68.745 674 3HD1 LEU 86 1HD1 LEU 86 57.645 72.841 69.888 675 1HD2 LEU 86 2HD2 LEU 86 58.857 70.206 66.827 676 2HD2 LEU 86 1HD2 LEU 86 58.312 71.858 66.225 677 3HD2 LEU 86 3HD2 LEU 86 59.690 71.678 67.394 678 H VAL 87 H VAL 87 55.869 70.950 66.525 679 HA VAL 87 HA VAL 87 57.258 69.560 64.334 680 HB VAL 87 HB VAL 87 54.935 68.786 64.086 681 1HG1 VAL 87 1HG1 VAL 87 54.019 70.448 65.780 682 2HG1 VAL 87 3HG1 VAL 87 54.046 71.737 64.497 683 3HG1 VAL 87 2HG1 VAL 87 53.041 70.259 64.293 684 1HG2 VAL 87 1HG2 VAL 87 56.058 70.018 61.967 685 2HG2 VAL 87 3HG2 VAL 87 54.379 69.495 61.944 686 3HG2 VAL 87 2HG2 VAL 87 54.745 71.253 62.257 687 H THR 88 H THR 88 58.340 70.817 63.041 688 HA THR 88 HA THR 88 57.687 73.653 62.908 689 HB THR 88 HB THR 88 58.946 73.254 65.024 690 HG1 THR 88 1HG THR 88 60.696 74.805 64.427 691 1HG2 THR 88 3HG2 THR 88 61.192 72.507 63.071 692 2HG2 THR 88 2HG2 THR 88 61.440 72.619 64.879 693 3HG2 THR 88 1HG2 THR 88 60.368 71.338 64.240 694 H TRP 89 H TRP 89 59.718 74.691 61.711 695 HA TRP 89 HA TRP 89 60.262 73.126 59.213 696 1HB TRP 89 2HB TRP 89 60.284 76.136 60.021 697 2HB TRP 89 1HB TRP 89 61.006 75.570 58.473 698 HD1 TRP 89 HD1 TRP 89 57.670 76.615 59.817 699 HE1 TRP 89 HE1 TRP 89 55.906 75.470 58.339 700 HE3 TRP 89 HE3 TRP 89 60.611 73.389 57.375 701 HZ2 TRP 89 HZ2 TRP 89 55.825 73.257 56.305 702 HZ3 TRP 89 HZ3 TRP 89 59.766 71.780 55.734 703 HH2 TRP 89 HH2 TRP 89 57.451 71.792 55.322 704 H GLU 90 H GLU 90 62.479 72.800 58.413 705 HA GLU 90 HA GLU 90 64.323 73.203 60.732 706 1HB GLU 90 2HB GLU 90 64.133 70.979 59.464 707 2HB GLU 90 1HB GLU 90 64.677 71.910 57.993 708 1HG GLU 90 2HG GLU 90 66.724 70.782 59.062 709 2HG GLU 90 1HG GLU 90 66.710 72.633 59.465 710 H GLY 91 H GLY 91 63.824 73.817 57.391 711 1HA GLY 91 1HA GLY 91 64.680 76.423 57.185 712 2HA GLY 91 2HA GLY 91 66.136 75.365 56.713 713 H ASN 92 H ASN 92 64.904 73.198 55.897 714 HA ASN 92 HA ASN 92 63.040 73.865 53.628 715 1HB ASN 92 2HB ASN 92 64.564 72.347 52.163 716 2HB ASN 92 1HB ASN 92 65.314 74.003 52.583 717 1HD2 ASN 92 2HD2 ASN 92 66.897 70.536 54.015 718 2HD2 ASN 92 1HD2 ASN 92 65.396 70.561 53.141 719 H THR 93 H THR 93 62.627 72.622 56.095 720 HA THR 93 HA THR 93 61.185 70.279 55.203 721 HB THR 93 HB THR 93 63.527 69.278 55.096 722 HG1 THR 93 1HG THR 93 61.749 68.080 55.084 723 1HG2 THR 93 3HG2 THR 93 64.199 70.046 57.635 724 2HG2 THR 93 2HG2 THR 93 62.901 68.950 58.138 725 3HG2 THR 93 1HG2 THR 93 64.386 68.305 57.296 726 H LEU 94 H LEU 94 60.266 68.983 56.505 727 HA LEU 94 HA LEU 94 59.323 70.373 58.947 728 1HB LEU 94 2HB LEU 94 57.692 69.640 57.205 729 2HB LEU 94 1HB LEU 94 57.987 67.931 57.786 730 HG LEU 94 HG LEU 94 57.739 69.019 60.176 731 1HD1 LEU 94 3HD1 LEU 94 57.394 71.391 58.713 732 2HD1 LEU 94 2HD1 LEU 94 55.679 70.920 59.131 733 3HD1 LEU 94 1HD1 LEU 94 56.917 71.123 60.458 734 1HD2 LEU 94 1HD2 LEU 94 55.772 67.865 58.407 735 2HD2 LEU 94 3HD2 LEU 94 55.949 67.764 60.174 736 3HD2 LEU 94 2HD2 LEU 94 54.972 69.142 59.454 737 H VAL 95 H VAL 95 60.568 70.174 60.444 738 HA VAL 95 HA VAL 95 61.543 67.586 61.351 739 HB VAL 95 HB VAL 95 61.473 70.517 62.346 740 1HG1 VAL 95 2HG1 VAL 95 62.718 68.107 63.769 741 2HG1 VAL 95 1HG1 VAL 95 63.393 69.773 64.052 742 3HG1 VAL 95 3HG1 VAL 95 61.672 69.540 64.307 743 1HG2 VAL 95 3HG2 VAL 95 63.171 69.500 60.368 744 2HG2 VAL 95 2HG2 VAL 95 63.676 70.845 61.494 745 3HG2 VAL 95 1HG2 VAL 95 64.136 69.089 61.859 746 H CYS 96 H CYS 96 60.450 66.441 63.018 747 HA CYS 96 HA CYS 96 58.800 68.123 64.858 748 1HB CYS 96 2HB CYS 96 57.921 65.239 64.075 749 2HB CYS 96 1HB CYS 96 56.823 66.492 64.722 750 HG CYS 96 HG CYS 96 57.998 66.006 61.738 751 H VAL 97 H VAL 97 59.291 67.860 66.734 752 HA VAL 97 HA VAL 97 61.294 65.922 67.643 753 HB VAL 97 HB VAL 97 60.028 68.227 69.067 754 1HG1 VAL 97 3HG1 VAL 97 62.648 66.705 69.360 755 2HG1 VAL 97 2HG1 VAL 97 62.521 68.403 70.015 756 3HG1 VAL 97 1HG1 VAL 97 61.407 67.110 70.650 757 1HG2 VAL 97 1HG2 VAL 97 60.909 68.984 66.819 758 2HG2 VAL 97 3HG2 VAL 97 61.844 69.668 68.219 759 3HG2 VAL 97 2HG2 VAL 97 62.522 68.252 67.275 760 H GLN 98 H GLN 98 60.660 64.263 68.570 761 HA GLN 98 HA GLN 98 58.069 63.811 70.069 762 1HB GLN 98 2HB GLN 98 60.518 62.221 69.119 763 2HB GLN 98 1HB GLN 98 59.181 61.463 70.178 764 1HG GLN 98 2HG GLN 98 59.213 61.788 67.207 765 2HG GLN 98 1HG GLN 98 57.874 61.139 68.313 766 1HE2 GLN 98 2HE2 GLN 98 55.893 63.773 68.150 767 2HE2 GLN 98 1HE2 GLN 98 56.362 62.223 68.886 768 H LYS 99 H LYS 99 58.192 64.751 72.055 769 HA LYS 99 HA LYS 99 60.732 63.884 73.556 770 1HB LYS 99 2HB LYS 99 60.511 66.302 73.065 771 2HB LYS 99 1HB LYS 99 59.038 66.371 74.119 772 1HG LYS 99 2HG LYS 99 60.276 66.461 75.973 773 2HG LYS 99 1HG LYS 99 61.243 65.010 75.517 774 1HD LYS 99 2HD LYS 99 62.989 66.445 74.937 775 2HD LYS 99 1HD LYS 99 61.851 67.485 73.891 776 1HE LYS 99 2HE LYS 99 61.587 67.614 76.881 777 2HE LYS 99 1HE LYS 99 63.164 68.245 76.248 778 1HZ LYS 99 3HZ LYS 99 61.389 69.343 74.541 779 2HZ LYS 99 2HZ LYS 99 60.410 69.240 75.918 780 3HZ LYS 99 1HZ LYS 99 61.833 70.095 75.960 781 H GLY 100 H GLY 100 60.142 62.184 74.628 782 1HA GLY 100 1HA GLY 100 57.635 62.431 76.377 783 2HA GLY 100 2HA GLY 100 58.112 60.835 75.712 784 H GLU 101 H GLU 101 57.793 60.389 77.794 785 HA GLU 101 HA GLU 101 59.654 61.167 79.924 786 1HB GLU 101 2HB GLU 101 57.175 60.376 80.254 787 2HB GLU 101 1HB GLU 101 57.678 58.773 79.585 788 1HG GLU 101 2HG GLU 101 58.197 58.151 81.685 789 2HG GLU 101 1HG GLU 101 59.480 59.454 81.787 790 H LYS 102 H LYS 102 59.872 59.126 77.274 791 HA LYS 102 HA LYS 102 62.515 58.099 78.074 792 1HB LYS 102 2HB LYS 102 61.851 55.739 77.458 793 2HB LYS 102 1HB LYS 102 61.278 56.301 79.104 794 1HG LYS 102 2HG LYS 102 59.179 55.589 78.450 795 2HG LYS 102 1HG LYS 102 59.140 57.001 77.378 796 1HD LYS 102 2HD LYS 102 58.640 55.114 75.963 797 2HD LYS 102 1HD LYS 102 60.318 55.553 75.520 798 1HE LYS 102 2HE LYS 102 60.923 53.705 77.473 799 2HE LYS 102 1HE LYS 102 59.339 53.104 76.758 800 1HZ LYS 102 3HZ LYS 102 61.677 53.983 75.134 801 2HZ LYS 102 2HZ LYS 102 61.541 52.439 75.722 802 3HZ LYS 102 1HZ LYS 102 60.392 52.996 74.681 803 H GLU 103 H GLU 103 59.855 57.849 75.830 804 HA GLU 103 HA GLU 103 61.080 56.676 73.581 805 1HB GLU 103 2HB GLU 103 58.873 58.770 73.845 806 2HB GLU 103 1HB GLU 103 59.269 57.935 72.282 807 1HG GLU 103 2HG GLU 103 59.093 55.731 73.694 808 2HG GLU 103 1HG GLU 103 58.070 56.797 74.851 809 H ASN 104 H ASN 104 61.808 57.124 71.796 810 HA ASN 104 HA ASN 104 62.765 59.871 71.210 811 1HB ASN 104 2HB ASN 104 64.018 57.013 71.066 812 2HB ASN 104 1HB ASN 104 64.802 58.470 70.201 813 1HD2 ASN 104 1HD2 ASN 104 66.163 57.884 73.670 814 2HD2 ASN 104 2HD2 ASN 104 65.759 56.744 72.224 815 H ARG 105 H ARG 105 60.403 59.471 70.537 816 HA ARG 105 HA ARG 105 59.868 57.682 68.395 817 1HB ARG 105 2HB ARG 105 58.188 59.821 69.829 818 2HB ARG 105 1HB ARG 105 57.701 59.109 68.237 819 1HG ARG 105 2HG ARG 105 58.806 57.206 70.282 820 2HG ARG 105 1HG ARG 105 57.181 57.977 70.630 821 1HD ARG 105 2HD ARG 105 56.957 57.303 67.954 822 2HD ARG 105 1HD ARG 105 57.802 55.856 68.654 823 HE ARG 105 HE ARG 105 56.048 55.738 70.358 824 1HH1 ARG 105 2HH1 ARG 105 55.215 57.901 67.495 825 2HH1 ARG 105 1HH1 ARG 105 53.507 57.767 67.877 826 1HH2 ARG 105 1HH2 ARG 105 53.516 55.772 70.632 827 2HH2 ARG 105 2HH2 ARG 105 52.667 56.699 69.456 828 H GLY 106 H GLY 106 61.360 60.510 68.695 829 1HA GLY 106 1HA GLY 106 61.244 62.446 66.934 830 2HA GLY 106 2HA GLY 106 62.691 61.375 66.888 831 H TRP 107 H TRP 107 59.798 62.176 65.380 832 HA TRP 107 HA TRP 107 60.656 60.811 62.930 833 1HB TRP 107 2HB TRP 107 58.559 59.886 62.480 834 2HB TRP 107 1HB TRP 107 58.047 60.393 64.157 835 HD1 TRP 107 HD1 TRP 107 58.223 61.607 60.426 836 HE1 TRP 107 HE1 TRP 107 56.555 63.529 60.069 837 HE3 TRP 107 HE3 TRP 107 56.934 62.045 65.236 838 HZ2 TRP 107 HZ2 TRP 107 55.011 64.924 61.743 839 HZ3 TRP 107 HZ3 TRP 107 55.280 63.754 65.875 840 HH2 TRP 107 HH2 TRP 107 54.343 65.146 64.147 841 H LYS 108 H LYS 108 60.864 61.708 61.210 842 HA LYS 108 HA LYS 108 59.817 64.376 60.664 843 1HB LYS 108 2HB LYS 108 62.464 65.055 60.246 844 2HB LYS 108 1HB LYS 108 61.654 65.263 61.913 845 1HG LYS 108 2HG LYS 108 62.479 62.925 62.534 846 2HG LYS 108 1HG LYS 108 63.524 63.054 60.985 847 1HD LYS 108 2HD LYS 108 64.749 63.610 63.086 848 2HD LYS 108 1HD LYS 108 64.664 64.985 61.918 849 1HE LYS 108 2HE LYS 108 62.965 66.067 63.419 850 2HE LYS 108 1HE LYS 108 62.585 64.474 64.204 851 1HZ LYS 108 3HZ LYS 108 64.797 64.542 65.251 852 2HZ LYS 108 2HZ LYS 108 65.064 66.045 64.484 853 3HZ LYS 108 1HZ LYS 108 63.825 65.845 65.589 854 H GLN 109 H GLN 109 60.770 65.557 58.871 855 HA GLN 109 HA GLN 109 61.315 63.477 56.685 856 1HB GLN 109 2HB GLN 109 59.525 65.950 56.779 857 2HB GLN 109 1HB GLN 109 59.824 65.070 55.180 858 1HG GLN 109 2HG GLN 109 57.942 63.794 55.983 859 2HG GLN 109 1HG GLN 109 59.127 63.202 57.318 860 1HE2 GLN 109 1HE2 GLN 109 57.538 65.115 59.766 861 2HE2 GLN 109 2HE2 GLN 109 58.627 63.727 59.175 862 H TRP 110 H TRP 110 62.058 64.580 54.553 863 HA TRP 110 HA TRP 110 63.351 67.139 54.534 864 1HB TRP 110 2HB TRP 110 65.690 66.239 54.894 865 2HB TRP 110 1HB TRP 110 64.717 66.629 56.365 866 HD1 TRP 110 HD1 TRP 110 64.758 63.309 54.178 867 HE1 TRP 110 HE1 TRP 110 65.197 61.388 55.908 868 HE3 TRP 110 HE3 TRP 110 65.211 66.166 58.141 869 HZ2 TRP 110 HZ2 TRP 110 65.684 61.352 58.656 870 HZ3 TRP 110 HZ3 TRP 110 65.677 65.232 60.368 871 HH2 TRP 110 HH2 TRP 110 65.901 62.835 60.590 872 H VAL 111 H VAL 111 62.261 66.494 52.483 873 HA VAL 111 HA VAL 111 62.669 64.968 50.442 874 HB VAL 111 HB VAL 111 63.340 67.972 50.560 875 1HG1 VAL 111 1HG1 VAL 111 64.259 67.071 48.414 876 2HG1 VAL 111 3HG1 VAL 111 62.668 66.414 48.012 877 3HG1 VAL 111 2HG1 VAL 111 62.833 68.196 48.113 878 1HG2 VAL 111 2HG2 VAL 111 60.903 66.304 50.466 879 2HG2 VAL 111 1HG2 VAL 111 60.955 68.038 50.951 880 3HG2 VAL 111 3HG2 VAL 111 60.893 67.611 49.177 881 H GLU 112 H GLU 112 64.083 63.751 49.662 882 HA GLU 112 HA GLU 112 66.886 64.757 49.303 883 1HB GLU 112 2HB GLU 112 65.815 62.096 50.324 884 2HB GLU 112 1HB GLU 112 67.513 62.297 49.699 885 1HG GLU 112 2HG GLU 112 66.970 64.576 51.358 886 2HG GLU 112 1HG GLU 112 66.305 63.004 52.230 887 H GLY 113 H GLY 113 65.809 65.247 47.125 888 1HA GLY 113 1HA GLY 113 65.910 64.791 44.739 889 2HA GLY 113 2HA GLY 113 66.815 63.285 45.120 890 H ASP 114 H ASP 114 64.002 64.823 44.197 891 HA ASP 114 HA ASP 114 61.782 64.065 43.667 892 1HB ASP 114 2HB ASP 114 63.657 61.788 42.583 893 2HB ASP 114 1HB ASP 114 61.889 62.183 42.029 894 H LYS 115 H LYS 115 62.255 63.370 46.277 895 HA LYS 115 HA LYS 115 60.079 61.687 46.878 896 1HB LYS 115 2HB LYS 115 61.019 59.540 47.583 897 2HB LYS 115 1HB LYS 115 61.675 59.849 45.943 898 1HG LYS 115 2HG LYS 115 63.866 60.555 46.876 899 2HG LYS 115 1HG LYS 115 63.148 60.657 48.541 900 1HD LYS 115 2HD LYS 115 62.643 58.229 48.399 901 2HD LYS 115 1HD LYS 115 63.543 58.084 46.848 902 1HE LYS 115 2HE LYS 115 64.911 59.679 49.009 903 2HE LYS 115 1HE LYS 115 64.724 57.907 49.360 904 1HZ LYS 115 1HZ LYS 115 65.555 58.404 46.664 905 2HZ LYS 115 3HZ LYS 115 66.593 59.200 47.681 906 3HZ LYS 115 2HZ LYS 115 66.435 57.559 47.824 907 H LEU 116 H LEU 116 60.132 61.011 49.255 908 HA LEU 116 HA LEU 116 62.136 62.752 50.618 909 1HB LEU 116 2HB LEU 116 60.864 64.447 51.428 910 2HB LEU 116 1HB LEU 116 60.174 64.200 49.769 911 HG LEU 116 HG LEU 116 58.563 62.514 51.222 912 1HD1 LEU 116 2HD1 LEU 116 59.688 64.697 53.034 913 2HD1 LEU 116 1HD1 LEU 116 57.888 64.513 53.131 914 3HD1 LEU 116 3HD1 LEU 116 58.939 63.097 53.448 915 1HD2 LEU 116 1HD2 LEU 116 58.413 65.297 50.147 916 2HD2 LEU 116 3HD2 LEU 116 57.428 63.834 49.702 917 3HD2 LEU 116 2HD2 LEU 116 56.999 64.791 51.174 918 H TYR 117 H TYR 117 62.926 61.983 52.243 919 HA TYR 117 HA TYR 117 61.670 59.566 53.270 920 1HB TYR 117 2HB TYR 117 63.973 61.471 54.162 921 2HB TYR 117 1HB TYR 117 63.470 60.092 55.207 922 HD1 TYR 117 HD1 TYR 117 62.913 57.947 53.054 923 HD2 TYR 117 HD2 TYR 117 66.113 60.849 53.236 924 HE1 TYR 117 HE1 TYR 117 64.344 56.524 51.656 925 HE2 TYR 117 HE2 TYR 117 67.467 59.395 51.858 926 HH TYR 117 HH TYR 117 66.794 56.139 51.309 927 H LEU 118 H LEU 118 61.115 59.014 55.201 928 HA LEU 118 HA LEU 118 59.910 61.142 56.978 929 1HB LEU 118 2HB LEU 118 58.392 59.464 55.187 930 2HB LEU 118 1HB LEU 118 58.248 58.627 56.825 931 HG LEU 118 HG LEU 118 57.171 61.350 56.052 932 1HD1 LEU 118 3HD1 LEU 118 56.288 58.690 57.238 933 2HD1 LEU 118 2HD1 LEU 118 55.181 60.157 57.271 934 3HD1 LEU 118 1HD1 LEU 118 55.767 59.408 55.717 935 1HD2 LEU 118 2HD2 LEU 118 58.555 61.142 58.391 936 2HD2 LEU 118 1HD2 LEU 118 56.889 61.950 58.364 937 3HD2 LEU 118 3HD2 LEU 118 57.035 60.228 58.851 938 H GLU 119 H GLU 119 62.295 60.095 57.073 939 HA GLU 119 HA GLU 119 62.827 57.830 58.566 940 1HB GLU 119 2HB GLU 119 64.282 60.270 57.783 941 2HB GLU 119 1HB GLU 119 64.562 59.935 59.527 942 1HG GLU 119 2HG GLU 119 64.664 57.682 57.473 943 2HG GLU 119 1HG GLU 119 66.109 58.716 57.860 944 H LEU 120 H LEU 120 62.370 57.157 60.511 945 HA LEU 120 HA LEU 120 62.075 59.302 62.597 946 1HB LEU 120 2HB LEU 120 59.975 58.809 63.278 947 2HB LEU 120 1HB LEU 120 59.858 58.658 61.465 948 HG LEU 120 HG LEU 120 60.592 56.054 62.570 949 1HD1 LEU 120 3HD1 LEU 120 59.384 57.019 64.734 950 2HD1 LEU 120 2HD1 LEU 120 57.962 57.212 63.645 951 3HD1 LEU 120 1HD1 LEU 120 58.694 55.539 64.001 952 1HD2 LEU 120 1HD2 LEU 120 57.967 57.043 61.337 953 2HD2 LEU 120 3HD2 LEU 120 59.373 56.357 60.414 954 3HD2 LEU 120 2HD2 LEU 120 58.427 55.309 61.523 955 H THR 121 H THR 121 61.801 58.356 64.735 956 HA THR 121 HA THR 121 63.119 55.655 64.936 957 HB THR 121 HB THR 121 65.071 56.948 65.110 958 HG1 THR 121 1HG THR 121 64.459 56.770 67.845 959 1HG2 THR 121 3HG2 THR 121 63.229 58.905 66.670 960 2HG2 THR 121 2HG2 THR 121 64.940 58.720 67.243 961 3HG2 THR 121 1HG2 THR 121 64.620 59.270 65.531 962 H CYS 122 H CYS 122 63.188 55.082 67.502 963 HA CYS 122 HA CYS 122 61.112 56.124 69.102 964 1HB CYS 122 2HB CYS 122 59.461 54.122 68.614 965 2HB CYS 122 1HB CYS 122 59.405 55.542 67.546 966 HG CYS 122 HG CYS 122 60.650 54.569 65.534 967 H GLY 123 H GLY 123 62.803 55.585 70.374 968 1HA GLY 123 1HA GLY 123 63.693 54.235 72.158 969 2HA GLY 123 2HA GLY 123 62.496 52.946 71.672 970 H ASP 124 H ASP 124 64.802 54.592 69.710 971 HA ASP 124 HA ASP 124 66.660 54.008 68.396 972 1HB ASP 124 2HB ASP 124 66.821 51.722 70.444 973 2HB ASP 124 1HB ASP 124 68.196 52.282 69.322 974 H GLN 125 H GLN 125 64.004 53.150 67.638 975 HA GLN 125 HA GLN 125 64.721 50.423 66.503 976 1HB GLN 125 2HB GLN 125 62.209 51.690 67.213 977 2HB GLN 125 1HB GLN 125 62.218 51.390 65.450 978 1HG GLN 125 2HG GLN 125 61.368 49.443 66.349 979 2HG GLN 125 1HG GLN 125 63.125 49.016 66.026 980 1HE2 GLN 125 1HE2 GLN 125 63.607 48.169 69.365 981 2HE2 GLN 125 2HE2 GLN 125 63.750 47.852 67.510 982 H VAL 126 H VAL 126 64.804 53.723 65.997 983 HA VAL 126 HA VAL 126 64.874 55.231 64.174 984 HB VAL 126 HB VAL 126 67.096 54.828 63.008 985 1HG1 VAL 126 3HG1 VAL 126 66.527 55.501 65.600 986 2HG1 VAL 126 2HG1 VAL 126 67.504 53.956 65.878 987 3HG1 VAL 126 1HG1 VAL 126 68.173 55.427 64.976 988 1HG2 VAL 126 3HG2 VAL 126 66.616 52.116 63.083 989 2HG2 VAL 126 2HG2 VAL 126 68.316 52.801 63.319 990 3HG2 VAL 126 1HG2 VAL 126 67.340 52.316 64.726 991 H CYS 127 H CYS 127 62.784 53.947 63.327 992 HA CYS 127 HA CYS 127 62.870 52.301 60.994 993 1HB CYS 127 2HB CYS 127 60.815 53.396 62.588 994 2HB CYS 127 1HB CYS 127 60.893 54.624 61.276 995 HG CYS 127 HG CYS 127 60.226 53.147 59.314 996 H ARG 128 H ARG 128 63.882 52.538 59.269 997 HA ARG 128 HA ARG 128 64.024 55.343 58.096 998 1HB ARG 128 2HB ARG 128 66.161 54.050 58.566 999 2HB ARG 128 1HB ARG 128 65.581 52.701 57.516 1000 1HG ARG 128 2HG ARG 128 65.411 54.390 55.533 1001 2HG ARG 128 1HG ARG 128 66.188 55.614 56.537 1002 1HD ARG 128 2HD ARG 128 67.249 52.862 55.682 1003 2HD ARG 128 1HD ARG 128 67.862 54.553 55.183 1004 HE ARG 128 HE ARG 128 68.465 53.023 57.663 1005 1HH1 ARG 128 1HH1 ARG 128 68.702 56.276 56.001 1006 2HH1 ARG 128 2HH1 ARG 128 69.952 56.802 57.077 1007 1HH2 ARG 128 1HH2 ARG 128 70.042 53.794 58.959 1008 2HH2 ARG 128 2HH2 ARG 128 70.725 55.414 58.770 1009 H GLN 129 H GLN 129 62.230 55.695 57.040 1010 HA GLN 129 HA GLN 129 61.243 53.496 55.253 1011 1HB GLN 129 2HB GLN 129 60.350 56.405 55.804 1012 2HB GLN 129 1HB GLN 129 59.488 55.237 54.698 1013 1HG GLN 129 2HG GLN 129 60.171 54.138 57.377 1014 2HG GLN 129 1HG GLN 129 58.871 55.435 57.431 1015 1HE2 GLN 129 1HE2 GLN 129 57.393 51.989 56.816 1016 2HE2 GLN 129 2HE2 GLN 129 58.432 52.698 58.077 1017 H VAL 130 H VAL 130 60.367 54.199 53.049 1018 HA VAL 130 HA VAL 130 62.515 55.861 51.778 1019 HB VAL 130 HB VAL 130 62.277 54.251 49.691 1020 1HG1 VAL 130 1HG1 VAL 130 64.302 54.424 51.124 1021 2HG1 VAL 130 3HG1 VAL 130 63.679 53.153 52.205 1022 3HG1 VAL 130 2HG1 VAL 130 64.063 52.771 50.429 1023 1HG2 VAL 130 1HG2 VAL 130 60.343 52.932 50.978 1024 2HG2 VAL 130 3HG2 VAL 130 61.535 52.099 49.860 1025 3HG2 VAL 130 2HG2 VAL 130 61.772 51.997 51.644 1026 H PHE 131 H PHE 131 61.899 56.624 49.780 1027 HA PHE 131 HA PHE 131 58.943 56.562 49.211 1028 1HB PHE 131 2HB PHE 131 60.631 59.052 49.804 1029 2HB PHE 131 1HB PHE 131 59.047 59.085 48.885 1030 HD1 PHE 131 HD1 PHE 131 60.625 57.931 52.149 1031 HD2 PHE 131 HD2 PHE 131 57.050 58.876 49.968 1032 HE1 PHE 131 HE1 PHE 131 59.295 57.682 54.277 1033 HE2 PHE 131 HE2 PHE 131 55.740 58.651 52.048 1034 HZ PHE 131 HZ PHE 131 56.873 58.061 54.157 1035 H LYS 132 H LYS 132 58.356 58.075 47.362 1036 HA LYS 132 HA LYS 132 60.361 58.374 45.238 1037 1HB LYS 132 2HB LYS 132 59.982 56.050 44.702 1038 2HB LYS 132 1HB LYS 132 58.454 56.038 45.690 1039 1HG LYS 132 2HG LYS 132 58.151 55.647 43.191 1040 2HG LYS 132 1HG LYS 132 57.226 57.123 43.672 1041 1HD LYS 132 2HD LYS 132 58.788 58.562 42.761 1042 2HD LYS 132 1HD LYS 132 60.137 57.341 42.759 1043 1HE LYS 132 2HE LYS 132 58.079 56.245 41.142 1044 2HE LYS 132 1HE LYS 132 58.111 58.022 40.676 1045 1HZ LYS 132 2HZ LYS 132 60.662 56.701 40.976 1046 2HZ LYS 132 1HZ LYS 132 59.731 56.072 39.763 1047 3HZ LYS 132 3HZ LYS 132 60.155 57.689 39.723 1048 H LYS 133 H LYS 133 59.692 60.166 44.532 1049 HA LYS 133 HA LYS 133 57.143 61.538 45.125 1050 1HB LYS 133 2HB LYS 133 59.212 62.714 44.064 1051 2HB LYS 133 1HB LYS 133 58.730 61.775 42.551 1052 1HG LYS 133 2HG LYS 133 56.732 63.012 42.414 1053 2HG LYS 133 1HG LYS 133 56.721 63.485 44.211 1054 1HD LYS 133 2HD LYS 133 57.905 65.403 43.833 1055 2HD LYS 133 1HD LYS 133 59.023 64.483 42.719 1056 1HE LYS 133 2HE LYS 133 57.827 65.113 40.883 1057 2HE LYS 133 1HE LYS 133 56.240 64.787 41.779 1058 1HZ LYS 133 3HZ LYS 133 56.714 66.938 43.019 1059 2HZ LYS 133 2HZ LYS 133 57.991 67.214 42.001 1060 3HZ LYS 133 1HZ LYS 133 56.430 67.174 41.390 1061 H LYS 134 H LYS 134 55.277 61.189 44.648 1062 HA LYS 134 HA LYS 134 53.347 60.435 43.391 1063 1HB LYS 134 2HB LYS 134 55.271 61.495 41.518 1064 2HB LYS 134 1HB LYS 134 54.753 59.983 40.772 1065 1HG LYS 134 2HG LYS 134 52.529 60.743 40.492 1066 2HG LYS 134 1HG LYS 134 52.586 61.740 42.020 1067 1HD LYS 134 2HD LYS 134 52.559 63.024 39.802 1068 2HD LYS 134 1HD LYS 134 53.931 63.423 40.951 1069 1HE LYS 134 2HE LYS 134 55.553 62.496 39.787 1070 2HE LYS 134 1HE LYS 134 54.491 61.084 39.187 1071 1HZ LYS 134 3HZ LYS 134 54.455 63.823 38.030 1072 2HZ LYS 134 2HZ LYS 134 55.243 62.558 37.350 1073 3HZ LYS 134 1HZ LYS 134 53.587 62.494 37.541 No H/Q in entry = 1073 Start of MODEL 3 1 1H MET 1 2H MET 1 63.249 73.280 44.935 2 2H MET 1 1H MET 1 64.356 72.384 44.097 3 3H MET 1 3H MET 1 63.999 71.943 45.639 4 HA MET 1 HA MET 1 66.127 72.923 45.851 5 1HB MET 1 2HB MET 1 65.447 74.666 43.683 6 2HB MET 1 1HB MET 1 65.000 75.667 45.117 7 1HG MET 1 2HG MET 1 67.268 76.077 45.497 8 2HG MET 1 1HG MET 1 67.475 74.408 45.850 9 1HE MET 1 3HE MET 1 69.676 75.474 45.240 10 2HE MET 1 2HE MET 1 70.338 74.338 44.129 11 3HE MET 1 1HE MET 1 70.170 76.082 43.602 12 H THR 2 H THR 2 62.985 73.251 46.815 13 HA THR 2 HA THR 2 64.017 74.405 49.341 14 HB THR 2 HB THR 2 61.450 75.641 48.361 15 HG1 THR 2 1HG THR 2 63.908 76.501 47.243 16 1HG2 THR 2 2HG2 THR 2 63.399 76.186 50.436 17 2HG2 THR 2 1HG2 THR 2 63.917 77.382 49.212 18 3HG2 THR 2 3HG2 THR 2 62.257 77.430 49.831 19 H LYS 3 H LYS 3 61.147 75.019 50.223 20 HA LYS 3 HA LYS 3 60.588 72.263 51.002 21 1HB LYS 3 2HB LYS 3 58.458 73.237 51.874 22 2HB LYS 3 1HB LYS 3 59.985 73.968 52.530 23 1HG LYS 3 2HG LYS 3 58.909 75.276 50.036 24 2HG LYS 3 1HG LYS 3 57.809 75.360 51.443 25 1HD LYS 3 2HD LYS 3 60.801 76.066 51.812 26 2HD LYS 3 1HD LYS 3 59.598 77.241 51.125 27 1HE LYS 3 2HE LYS 3 58.894 77.650 53.258 28 2HE LYS 3 1HE LYS 3 58.590 75.815 53.468 29 1HZ LYS 3 3HZ LYS 3 61.051 75.615 53.888 30 2HZ LYS 3 2HZ LYS 3 61.070 77.323 54.065 31 3HZ LYS 3 1HZ LYS 3 60.254 76.376 55.090 32 H ASP 4 H ASP 4 60.427 71.099 48.969 33 HA ASP 4 HA ASP 4 57.952 71.635 47.422 34 1HB ASP 4 2HB ASP 4 60.051 69.473 46.768 35 2HB ASP 4 1HB ASP 4 58.724 70.268 45.740 36 H GLN 5 H GLN 5 56.626 70.887 49.235 37 HA GLN 5 HA GLN 5 56.844 67.945 49.841 38 1HB GLN 5 2HB GLN 5 55.613 70.506 51.116 39 2HB GLN 5 1HB GLN 5 55.147 68.826 51.700 40 1HG GLN 5 2HG GLN 5 57.694 68.398 51.887 41 2HG GLN 5 1HG GLN 5 57.800 70.288 51.734 42 1HE2 GLN 5 1HE2 GLN 5 57.675 69.190 55.343 43 2HE2 GLN 5 2HE2 GLN 5 58.631 68.793 53.934 44 H ASN 6 H ASN 6 54.044 70.059 49.851 45 HA ASN 6 HA ASN 6 51.984 68.700 49.257 46 1HB ASN 6 2HB ASN 6 51.935 70.406 46.905 47 2HB ASN 6 1HB ASN 6 51.098 70.733 48.521 48 1HD2 ASN 6 1HD2 ASN 6 53.232 73.349 49.301 49 2HD2 ASN 6 2HD2 ASN 6 51.548 72.467 49.381 50 H GLY 7 H GLY 7 51.445 67.000 48.417 51 1HA GLY 7 1HA GLY 7 51.205 66.441 45.620 52 2HA GLY 7 2HA GLY 7 52.759 65.781 46.152 53 H THR 8 H THR 8 52.471 63.811 46.277 54 HA THR 8 HA THR 8 51.083 62.342 48.249 55 HB THR 8 HB THR 8 49.582 62.541 45.614 56 HG1 THR 8 1HG THR 8 48.099 62.693 47.032 57 1HG2 THR 8 2HG2 THR 8 50.085 60.062 47.551 58 2HG2 THR 8 1HG2 THR 8 48.813 60.115 46.214 59 3HG2 THR 8 3HG2 THR 8 50.569 60.041 45.800 60 H TRP 9 H TRP 9 51.836 60.416 48.326 61 HA TRP 9 HA TRP 9 53.577 59.459 46.149 62 1HB TRP 9 2HB TRP 9 55.157 59.305 48.618 63 2HB TRP 9 1HB TRP 9 55.693 59.791 46.939 64 HD1 TRP 9 HD1 TRP 9 53.245 61.825 49.194 65 HE1 TRP 9 HE1 TRP 9 54.022 64.208 49.539 66 HE3 TRP 9 HE3 TRP 9 57.488 61.245 46.876 67 HZ2 TRP 9 HZ2 TRP 9 56.302 65.563 48.799 68 HZ3 TRP 9 HZ3 TRP 9 59.039 63.168 46.667 69 HH2 TRP 9 HH2 TRP 9 58.449 65.247 47.598 70 H GLU 10 H GLU 10 53.950 57.300 45.888 71 HA GLU 10 HA GLU 10 52.192 55.581 47.319 72 1HB GLU 10 2HB GLU 10 54.608 55.034 45.435 73 2HB GLU 10 1HB GLU 10 53.452 53.777 46.081 74 1HG GLU 10 2HG GLU 10 51.925 56.039 45.200 75 2HG GLU 10 1HG GLU 10 53.205 55.570 43.893 76 H MET 11 H MET 11 55.371 56.654 48.003 77 HA MET 11 HA MET 11 57.056 55.887 49.618 78 1HB MET 11 2HB MET 11 54.782 56.203 50.959 79 2HB MET 11 1HB MET 11 54.628 54.413 50.840 80 1HG MET 11 2HG MET 11 56.678 54.009 52.187 81 2HG MET 11 1HG MET 11 57.140 55.670 51.916 82 1HE MET 11 1HE MET 11 53.689 53.947 52.849 83 2HE MET 11 3HE MET 11 52.920 55.226 53.874 84 3HE MET 11 2HE MET 11 53.285 55.623 52.230 85 H GLU 12 H GLU 12 57.231 54.705 47.439 86 HA GLU 12 HA GLU 12 56.839 52.364 46.479 87 1HB GLU 12 2HB GLU 12 59.310 53.998 46.665 88 2HB GLU 12 1HB GLU 12 59.687 52.241 46.636 89 1HG GLU 12 2HG GLU 12 57.548 52.802 44.630 90 2HG GLU 12 1HG GLU 12 58.978 53.982 44.465 91 H SER 13 H SER 13 58.911 52.797 49.306 92 HA SER 13 HA SER 13 58.327 49.975 50.109 93 1HB SER 13 2HB SER 13 60.998 51.139 49.347 94 2HB SER 13 1HB SER 13 60.930 50.207 50.966 95 HG SER 13 HG SER 13 61.306 48.805 49.488 96 H ASN 14 H ASN 14 58.986 49.503 52.215 97 HA ASN 14 HA ASN 14 59.544 51.739 54.042 98 1HB ASN 14 2HB ASN 14 57.311 50.217 55.276 99 2HB ASN 14 1HB ASN 14 57.366 52.015 54.781 100 1HD2 ASN 14 1HD2 ASN 14 55.508 49.188 52.483 101 2HD2 ASN 14 2HD2 ASN 14 56.484 48.850 54.064 102 H GLU 15 H GLU 15 60.650 51.309 55.597 103 HA GLU 15 HA GLU 15 61.351 48.427 55.835 104 1HB GLU 15 2HB GLU 15 62.488 50.951 57.308 105 2HB GLU 15 1HB GLU 15 63.263 49.316 57.305 106 1HG GLU 15 2HG GLU 15 62.614 50.369 54.629 107 2HG GLU 15 1HG GLU 15 64.072 51.106 55.615 108 H ASN 16 H ASN 16 62.121 48.032 58.273 109 HA ASN 16 HA ASN 16 61.283 47.006 60.119 110 1HB ASN 16 2HB ASN 16 61.314 49.956 60.432 111 2HB ASN 16 1HB ASN 16 60.406 48.920 61.747 112 1HD2 ASN 16 1HD2 ASN 16 63.665 49.047 63.107 113 2HD2 ASN 16 2HD2 ASN 16 62.070 50.049 62.912 114 H PHE 17 H PHE 17 59.050 49.678 60.180 115 HA PHE 17 HA PHE 17 56.702 49.878 60.093 116 1HB PHE 17 2HB PHE 17 57.254 47.872 58.310 117 2HB PHE 17 1HB PHE 17 56.294 46.925 59.559 118 HD1 PHE 17 HD1 PHE 17 56.449 49.881 57.335 119 HD2 PHE 17 HD2 PHE 17 53.879 47.385 59.708 120 HE1 PHE 17 HE1 PHE 17 54.424 51.004 56.395 121 HE2 PHE 17 HE2 PHE 17 51.861 48.532 58.743 122 HZ PHE 17 HZ PHE 17 52.128 50.307 57.120 123 H GLU 18 H GLU 18 57.499 46.518 61.130 124 HA GLU 18 HA GLU 18 55.402 46.646 63.229 125 1HB GLU 18 2HB GLU 18 56.221 44.486 62.159 126 2HB GLU 18 1HB GLU 18 57.872 44.804 62.820 127 1HG GLU 18 2HG GLU 18 55.955 45.051 65.003 128 2HG GLU 18 1HG GLU 18 55.783 43.423 64.115 129 H GLY 19 H GLY 19 59.023 46.592 63.356 130 1HA GLY 19 1HA GLY 19 59.228 46.635 66.238 131 2HA GLY 19 2HA GLY 19 60.441 47.299 65.119 132 H TYR 20 H TYR 20 58.211 49.115 63.978 133 HA TYR 20 HA TYR 20 58.801 51.344 65.898 134 1HB TYR 20 2HB TYR 20 58.720 52.222 63.666 135 2HB TYR 20 1HB TYR 20 57.664 50.826 63.113 136 HD1 TYR 20 HD1 TYR 20 55.325 50.869 63.585 137 HD2 TYR 20 HD2 TYR 20 57.817 54.244 64.255 138 HE1 TYR 20 HE1 TYR 20 53.237 52.371 63.567 139 HE2 TYR 20 HE2 TYR 20 55.908 55.728 64.272 140 HH TYR 20 HH TYR 20 53.140 55.234 63.010 141 H MET 21 H MET 21 56.244 49.233 64.834 142 HA MET 21 HA MET 21 54.201 50.491 66.528 143 1HB MET 21 2HB MET 21 54.599 48.258 64.448 144 2HB MET 21 1HB MET 21 53.608 47.729 65.826 145 1HG MET 21 2HG MET 21 51.820 49.173 65.193 146 2HG MET 21 1HG MET 21 52.868 50.467 64.676 147 1HE MET 21 3HE MET 21 50.430 48.143 63.933 148 2HE MET 21 2HE MET 21 50.234 49.685 63.318 149 3HE MET 21 1HE MET 21 50.217 48.303 62.116 150 H LYS 22 H LYS 22 56.646 48.241 66.693 151 HA LYS 22 HA LYS 22 55.903 46.929 69.225 152 1HB LYS 22 2HB LYS 22 57.472 46.147 67.015 153 2HB LYS 22 1HB LYS 22 58.742 46.815 68.129 154 1HG LYS 22 2HG LYS 22 56.660 45.146 69.482 155 2HG LYS 22 1HG LYS 22 57.587 44.280 68.196 156 1HD LYS 22 2HD LYS 22 58.758 45.852 70.641 157 2HD LYS 22 1HD LYS 22 58.838 44.037 70.404 158 1HE LYS 22 2HE LYS 22 60.061 44.788 68.104 159 2HE LYS 22 1HE LYS 22 60.410 46.267 69.099 160 1HZ LYS 22 1HZ LYS 22 60.856 43.554 70.207 161 2HZ LYS 22 3HZ LYS 22 61.951 44.145 69.079 162 3HZ LYS 22 2HZ LYS 22 61.722 44.975 70.490 163 H ALA 23 H ALA 23 57.753 49.576 68.121 164 HA ALA 23 HA ALA 23 59.410 49.738 70.526 165 1HB ALA 23 1HB ALA 23 58.692 51.806 68.386 166 2HB ALA 23 3HB ALA 23 59.839 52.097 69.756 167 3HB ALA 23 2HB ALA 23 60.198 50.811 68.514 168 H LEU 24 H LEU 24 56.277 50.710 69.642 169 HA LEU 24 HA LEU 24 56.007 52.288 72.215 170 1HB LEU 24 2HB LEU 24 53.987 53.284 71.309 171 2HB LEU 24 1HB LEU 24 55.215 53.327 69.983 172 HG LEU 24 HG LEU 24 54.273 51.077 69.154 173 1HD1 LEU 24 1HD1 LEU 24 52.341 51.861 71.278 174 2HD1 LEU 24 3HD1 LEU 24 51.550 51.436 69.662 175 3HD1 LEU 24 2HD1 LEU 24 52.622 50.247 70.554 176 1HD2 LEU 24 1HD2 LEU 24 53.029 53.820 68.705 177 2HD2 LEU 24 3HD2 LEU 24 54.209 52.868 67.757 178 3HD2 LEU 24 2HD2 LEU 24 52.475 52.382 67.768 179 H ASP 25 H ASP 25 55.681 49.406 70.963 180 HA ASP 25 HA ASP 25 54.817 47.319 71.405 181 1HB ASP 25 2HB ASP 25 54.642 48.852 74.090 182 2HB ASP 25 1HB ASP 25 54.032 47.141 73.939 183 H ILE 26 H ILE 26 53.295 47.678 69.900 184 HA ILE 26 HA ILE 26 50.544 47.890 71.037 185 HB ILE 26 HB ILE 26 51.092 49.620 69.325 186 1HG1 ILE 26 2HG1 ILE 26 49.010 47.634 68.432 187 2HG1 ILE 26 1HG1 ILE 26 48.849 48.907 69.758 188 1HG2 ILE 26 3HG2 ILE 26 51.915 47.143 67.823 189 2HG2 ILE 26 2HG2 ILE 26 50.667 48.128 66.907 190 3HG2 ILE 26 1HG2 ILE 26 52.198 48.925 67.368 191 1HD1 ILE 26 1HD1 ILE 26 49.915 50.417 67.698 192 2HD1 ILE 26 3HD1 ILE 26 49.003 49.193 66.738 193 3HD1 ILE 26 2HD1 ILE 26 48.124 50.248 67.917 194 H ASP 27 H ASP 27 52.041 45.720 71.471 195 HA ASP 27 HA ASP 27 52.136 43.639 69.657 196 1HB ASP 27 2HB ASP 27 53.057 43.015 71.778 197 2HB ASP 27 1HB ASP 27 51.706 43.901 72.687 198 H PHE 28 H PHE 28 50.771 41.839 69.224 199 HA PHE 28 HA PHE 28 48.433 40.879 69.836 200 1HB PHE 28 2HB PHE 28 48.019 43.724 68.618 201 2HB PHE 28 1HB PHE 28 46.808 42.356 68.279 202 HD1 PHE 28 HD2 PHE 28 47.794 41.605 71.529 203 HD2 PHE 28 HD1 PHE 28 45.781 44.714 69.300 204 HE1 PHE 28 HE2 PHE 28 46.629 42.269 73.539 205 HE2 PHE 28 HE1 PHE 28 44.580 45.417 71.395 206 HZ PHE 28 HZ PHE 28 45.015 44.175 73.555 207 H ALA 29 H ALA 29 50.252 42.341 67.297 208 HA ALA 29 HA ALA 29 51.027 41.379 65.244 209 1HB ALA 29 2HB ALA 29 50.061 39.071 66.260 210 2HB ALA 29 1HB ALA 29 48.565 39.511 65.364 211 3HB ALA 29 3HB ALA 29 50.117 39.276 64.413 212 H THR 30 H THR 30 50.464 43.396 65.132 213 HA THR 30 HA THR 30 47.954 43.986 63.718 214 HB THR 30 HB THR 30 50.179 46.020 63.920 215 HG1 THR 30 1HG THR 30 48.751 45.785 66.201 216 1HG2 THR 30 2HG2 THR 30 47.665 46.393 63.200 217 2HG2 THR 30 1HG2 THR 30 47.217 46.058 64.954 218 3HG2 THR 30 3HG2 THR 30 48.328 47.458 64.515 219 H ARG 31 H ARG 31 51.149 43.277 63.202 220 HA ARG 31 HA ARG 31 51.294 44.016 60.349 221 1HB ARG 31 2HB ARG 31 53.687 42.546 61.092 222 2HB ARG 31 1HB ARG 31 53.530 44.255 60.728 223 1HG ARG 31 2HG ARG 31 54.438 44.335 62.980 224 2HG ARG 31 1HG ARG 31 52.648 44.510 63.220 225 1HD ARG 31 2HD ARG 31 53.743 42.815 64.784 226 2HD ARG 31 1HD ARG 31 52.545 42.006 63.693 227 HE ARG 31 HE ARG 31 55.088 41.918 62.458 228 1HH1 ARG 31 2HH1 ARG 31 53.451 40.720 65.381 229 2HH1 ARG 31 1HH1 ARG 31 54.440 39.247 65.539 230 1HH2 ARG 31 2HH2 ARG 31 56.384 40.078 62.575 231 2HH2 ARG 31 1HH2 ARG 31 56.188 38.870 63.825 232 H LYS 32 H LYS 32 52.954 42.095 59.348 233 HA LYS 32 HA LYS 32 53.130 39.850 58.831 234 1HB LYS 32 2HB LYS 32 51.825 39.345 60.964 235 2HB LYS 32 1HB LYS 32 50.358 39.384 59.880 236 1HG LYS 32 2HG LYS 32 50.855 37.304 58.869 237 2HG LYS 32 1HG LYS 32 52.587 37.732 58.771 238 1HD LYS 32 2HD LYS 32 51.797 37.477 61.680 239 2HD LYS 32 1HD LYS 32 51.429 36.036 60.686 240 1HE LYS 32 2HE LYS 32 53.645 35.545 61.265 241 2HE LYS 32 1HE LYS 32 53.965 36.431 59.690 242 1HZ LYS 32 3HZ LYS 32 53.811 38.436 61.169 243 2HZ LYS 32 2HZ LYS 32 54.237 37.412 62.432 244 3HZ LYS 32 1HZ LYS 32 55.253 37.649 61.130 245 H ILE 33 H ILE 33 50.117 41.681 58.547 246 HA ILE 33 HA ILE 33 50.195 41.138 55.638 247 HB ILE 33 HB ILE 33 47.496 40.983 56.035 248 1HG1 ILE 33 2HG1 ILE 33 46.917 39.546 57.978 249 2HG1 ILE 33 1HG1 ILE 33 48.635 39.588 58.517 250 1HG2 ILE 33 1HG2 ILE 33 49.689 38.813 56.083 251 2HG2 ILE 33 3HG2 ILE 33 47.996 38.288 56.217 252 3HG2 ILE 33 2HG2 ILE 33 48.514 39.273 54.786 253 1HD1 ILE 33 3HD1 ILE 33 47.271 42.226 57.936 254 2HD1 ILE 33 2HD1 ILE 33 46.667 41.283 59.402 255 3HD1 ILE 33 1HD1 ILE 33 48.359 41.875 59.359 256 H ALA 34 H ALA 34 50.924 43.353 57.323 257 HA ALA 34 HA ALA 34 48.865 45.358 56.368 258 1HB ALA 34 1HB ALA 34 49.361 44.795 59.070 259 2HB ALA 34 3HB ALA 34 50.637 46.025 58.790 260 3HB ALA 34 2HB ALA 34 48.921 46.453 58.416 261 H VAL 35 H VAL 35 51.370 44.081 55.474 262 HA VAL 35 HA VAL 35 53.475 46.122 55.578 263 HB VAL 35 HB VAL 35 53.193 44.090 53.325 264 1HG1 VAL 35 2HG1 VAL 35 55.565 45.326 54.974 265 2HG1 VAL 35 1HG1 VAL 35 55.740 44.066 53.713 266 3HG1 VAL 35 3HG1 VAL 35 55.119 45.715 53.295 267 1HG2 VAL 35 3HG2 VAL 35 53.548 43.529 56.286 268 2HG2 VAL 35 2HG2 VAL 35 52.802 42.550 54.923 269 3HG2 VAL 35 1HG2 VAL 35 54.612 42.652 55.111 270 H ARG 36 H ARG 36 50.972 45.081 53.421 271 HA ARG 36 HA ARG 36 50.510 47.707 52.284 272 1HB ARG 36 2HB ARG 36 52.758 47.410 51.177 273 2HB ARG 36 1HB ARG 36 52.139 45.814 50.530 274 1HG ARG 36 2HG ARG 36 51.437 46.974 48.678 275 2HG ARG 36 1HG ARG 36 50.265 47.846 49.770 276 1HD ARG 36 2HD ARG 36 51.389 49.729 49.239 277 2HD ARG 36 1HD ARG 36 52.648 49.183 50.375 278 HE ARG 36 HE ARG 36 54.006 48.738 48.459 279 1HH1 ARG 36 1HH2 ARG 36 50.480 48.571 47.474 280 2HH1 ARG 36 2HH2 ARG 36 50.887 48.264 45.811 281 1HH2 ARG 36 2HH1 ARG 36 54.374 48.319 46.171 282 2HH2 ARG 36 1HH1 ARG 36 52.975 48.131 45.121 283 H LEU 37 H LEU 37 48.472 47.444 52.382 284 HA LEU 37 HA LEU 37 47.348 45.301 50.619 285 1HB LEU 37 2HB LEU 37 45.114 45.917 51.729 286 2HB LEU 37 1HB LEU 37 46.330 45.329 52.944 287 HG LEU 37 HG LEU 37 46.950 47.667 53.494 288 1HD1 LEU 37 2HD1 LEU 37 44.797 48.357 51.428 289 2HD1 LEU 37 1HD1 LEU 37 45.146 49.456 52.852 290 3HD1 LEU 37 3HD1 LEU 37 46.444 49.082 51.673 291 1HD2 LEU 37 1HD2 LEU 37 44.694 46.049 54.225 292 2HD2 LEU 37 3HD2 LEU 37 45.273 47.564 55.007 293 3HD2 LEU 37 2HD2 LEU 37 43.926 47.675 53.818 294 H THR 38 H THR 38 48.575 48.161 50.629 295 HA THR 38 HA THR 38 48.572 49.247 48.319 296 HB THR 38 HB THR 38 45.732 49.698 49.453 297 HG1 THR 38 1HG THR 38 46.324 48.062 47.808 298 1HG2 THR 38 3HG2 THR 38 47.415 51.355 47.493 299 2HG2 THR 38 2HG2 THR 38 45.582 51.398 47.375 300 3HG2 THR 38 1HG2 THR 38 46.425 51.968 48.843 301 H GLN 39 H GLN 39 49.863 51.025 48.481 302 HA GLN 39 HA GLN 39 49.448 52.534 51.056 303 1HB GLN 39 2HB GLN 39 51.262 50.809 51.035 304 2HB GLN 39 1HB GLN 39 52.106 51.753 49.724 305 1HG GLN 39 2HG GLN 39 52.873 53.218 51.285 306 2HG GLN 39 1HG GLN 39 51.110 53.468 51.862 307 1HE2 GLN 39 1HE2 GLN 39 53.902 51.014 53.740 308 2HE2 GLN 39 2HE2 GLN 39 54.178 51.768 52.140 309 H THR 40 H THR 40 49.657 54.506 51.051 310 HA THR 40 HA THR 40 50.844 56.191 48.984 311 HB THR 40 HB THR 40 47.843 56.247 49.590 312 HG1 THR 40 1HG THR 40 48.087 55.117 47.813 313 1HG2 THR 40 1HG2 THR 40 49.609 58.325 48.132 314 2HG2 THR 40 3HG2 THR 40 47.786 58.330 48.136 315 3HG2 THR 40 2HG2 THR 40 48.700 58.590 49.685 316 H LYS 41 H LYS 41 52.128 57.263 50.231 317 HA LYS 41 HA LYS 41 50.944 58.417 52.774 318 1HB LYS 41 2HB LYS 41 53.331 57.409 52.893 319 2HB LYS 41 1HB LYS 41 53.737 58.452 51.444 320 1HG LYS 41 2HG LYS 41 52.716 59.709 54.037 321 2HG LYS 41 1HG LYS 41 54.449 59.187 53.925 322 1HD LYS 41 2HD LYS 41 54.310 60.556 51.562 323 2HD LYS 41 1HD LYS 41 53.000 61.431 52.427 324 1HE LYS 41 2HE LYS 41 54.430 62.552 53.669 325 2HE LYS 41 1HE LYS 41 55.284 60.993 54.196 326 1HZ LYS 41 3HZ LYS 41 56.284 61.143 51.880 327 2HZ LYS 41 2HZ LYS 41 55.742 62.681 51.767 328 3HZ LYS 41 1HZ LYS 41 56.884 62.312 52.948 329 H ILE 42 H ILE 42 49.978 60.257 52.575 330 HA ILE 42 HA ILE 42 50.869 62.029 50.255 331 HB ILE 42 HB ILE 42 48.166 62.291 51.799 332 1HG1 ILE 42 2HG1 ILE 42 47.507 61.814 49.283 333 2HG1 ILE 42 1HG1 ILE 42 48.919 60.656 49.358 334 1HG2 ILE 42 3HG2 ILE 42 49.357 63.697 49.345 335 2HG2 ILE 42 2HG2 ILE 42 47.609 63.703 49.772 336 3HG2 ILE 42 1HG2 ILE 42 48.787 64.406 50.881 337 1HD1 ILE 42 1HD1 ILE 42 46.642 60.881 51.418 338 2HD1 ILE 42 3HD1 ILE 42 46.641 59.572 50.190 339 3HD1 ILE 42 2HD1 ILE 42 47.972 59.640 51.439 340 H ILE 43 H ILE 43 50.911 64.204 50.414 341 HA ILE 43 HA ILE 43 51.603 65.254 53.213 342 HB ILE 43 HB ILE 43 53.304 64.423 51.442 343 1HG1 ILE 43 2HG1 ILE 43 53.968 67.252 52.263 344 2HG1 ILE 43 1HG1 ILE 43 53.485 66.137 53.632 345 1HG2 ILE 43 2HG2 ILE 43 52.405 65.711 49.528 346 2HG2 ILE 43 1HG2 ILE 43 52.715 67.304 50.421 347 3HG2 ILE 43 3HG2 ILE 43 54.082 66.237 49.841 348 1HD1 ILE 43 3HD1 ILE 43 55.368 64.894 51.628 349 2HD1 ILE 43 2HD1 ILE 43 56.039 66.413 52.312 350 3HD1 ILE 43 1HD1 ILE 43 55.470 65.068 53.424 351 H VAL 44 H VAL 44 50.738 67.199 53.538 352 HA VAL 44 HA VAL 44 49.629 68.663 51.106 353 HB VAL 44 HB VAL 44 48.089 68.353 53.731 354 1HG1 VAL 44 1HG1 VAL 44 47.659 69.717 51.050 355 2HG1 VAL 44 3HG1 VAL 44 46.242 69.201 52.076 356 3HG1 VAL 44 2HG1 VAL 44 47.463 70.391 52.723 357 1HG2 VAL 44 3HG2 VAL 44 47.848 66.667 51.111 358 2HG2 VAL 44 2HG2 VAL 44 47.548 66.228 52.860 359 3HG2 VAL 44 1HG2 VAL 44 46.349 67.192 51.927 360 H GLN 45 H GLN 45 51.398 70.037 51.388 361 HA GLN 45 HA GLN 45 51.350 71.665 53.884 362 1HB GLN 45 2HB GLN 45 53.368 70.615 52.576 363 2HB GLN 45 1HB GLN 45 53.214 72.045 51.462 364 1HG GLN 45 2HG GLN 45 53.065 72.619 54.472 365 2HG GLN 45 1HG GLN 45 54.745 72.106 53.783 366 1HE2 GLN 45 1HE2 GLN 45 54.857 75.025 51.747 367 2HE2 GLN 45 2HE2 GLN 45 55.259 73.150 51.796 368 H ASP 46 H ASP 46 50.682 73.512 54.139 369 HA ASP 46 HA ASP 46 50.010 75.088 51.661 370 1HB ASP 46 2HB ASP 46 48.188 73.588 52.586 371 2HB ASP 46 1HB ASP 46 48.069 74.661 54.042 372 H GLY 47 H GLY 47 51.278 75.305 54.814 373 1HA GLY 47 1HA GLY 47 52.418 77.506 55.339 374 2HA GLY 47 2HA GLY 47 50.903 78.344 54.780 375 H ASP 48 H ASP 48 52.576 76.930 57.320 376 HA ASP 48 HA ASP 48 51.927 76.694 59.673 377 1HB ASP 48 2HB ASP 48 49.523 78.533 59.057 378 2HB ASP 48 1HB ASP 48 50.700 78.535 60.511 379 H ASN 49 H ASN 49 50.738 75.136 57.591 380 HA ASN 49 HA ASN 49 48.864 73.477 59.072 381 1HB ASN 49 2HB ASN 49 47.300 75.424 58.405 382 2HB ASN 49 1HB ASN 49 47.846 75.106 56.653 383 1HD2 ASN 49 2HD2 ASN 49 45.427 72.373 58.581 384 2HD2 ASN 49 1HD2 ASN 49 46.737 73.300 59.559 385 H PHE 50 H PHE 50 50.461 72.162 58.592 386 HA PHE 50 HA PHE 50 50.571 70.997 55.837 387 1HB PHE 50 2HB PHE 50 52.751 71.810 56.562 388 2HB PHE 50 1HB PHE 50 52.517 71.096 58.207 389 HD1 PHE 50 HD2 PHE 50 52.581 68.819 58.578 390 HD2 PHE 50 HD1 PHE 50 53.234 70.425 54.672 391 HE1 PHE 50 HE2 PHE 50 53.533 66.528 57.885 392 HE2 PHE 50 HE1 PHE 50 54.186 68.190 53.939 393 HZ PHE 50 HZ PHE 50 54.290 66.351 55.562 394 H LYS 51 H LYS 51 49.554 69.142 55.463 395 HA LYS 51 HA LYS 51 49.258 67.418 57.909 396 1HB LYS 51 2HB LYS 51 47.309 67.782 55.605 397 2HB LYS 51 1HB LYS 51 47.024 66.758 57.106 398 1HG LYS 51 2HG LYS 51 46.789 68.787 58.515 399 2HG LYS 51 1HG LYS 51 47.510 69.832 57.244 400 1HD LYS 51 2HD LYS 51 45.591 68.916 55.766 401 2HD LYS 51 1HD LYS 51 44.841 68.266 57.288 402 1HE LYS 51 2HE LYS 51 44.530 70.502 58.144 403 2HE LYS 51 1HE LYS 51 45.749 71.181 56.904 404 1HZ LYS 51 2HZ LYS 51 43.165 69.999 56.103 405 2HZ LYS 51 1HZ LYS 51 43.298 71.598 56.570 406 3HZ LYS 51 3HZ LYS 51 44.152 71.097 55.265 407 H THR 52 H THR 52 50.753 65.872 57.553 408 HA THR 52 HA THR 52 50.835 64.544 54.858 409 HB THR 52 HB THR 52 52.335 64.440 57.508 410 HG1 THR 52 1HG THR 52 53.883 63.866 55.974 411 1HG2 THR 52 1HG2 THR 52 51.405 61.942 57.281 412 2HG2 THR 52 3HG2 THR 52 52.173 61.931 55.628 413 3HG2 THR 52 2HG2 THR 52 53.200 62.058 57.085 414 H LYS 53 H LYS 53 49.402 63.071 54.172 415 HA LYS 53 HA LYS 53 48.145 61.451 56.433 416 1HB LYS 53 2HB LYS 53 46.119 62.645 56.050 417 2HB LYS 53 1HB LYS 53 46.892 63.488 54.618 418 1HG LYS 53 2HG LYS 53 46.301 61.205 53.394 419 2HG LYS 53 1HG LYS 53 45.117 61.040 54.803 420 1HD LYS 53 2HD LYS 53 44.470 63.459 54.294 421 2HD LYS 53 1HD LYS 53 45.361 63.257 52.727 422 1HE LYS 53 2HE LYS 53 43.630 61.865 51.846 423 2HE LYS 53 1HE LYS 53 43.545 60.994 53.461 424 1HZ LYS 53 2HZ LYS 53 42.538 63.332 54.141 425 2HZ LYS 53 1HZ LYS 53 42.238 63.461 52.496 426 3HZ LYS 53 3HZ LYS 53 41.573 62.224 53.421 427 H THR 54 H THR 54 47.744 59.550 56.177 428 HA THR 54 HA THR 54 48.713 58.303 53.616 429 HB THR 54 HB THR 54 49.901 57.702 55.758 430 HG1 THR 54 1HG THR 54 48.670 55.506 54.521 431 1HG2 THR 54 1HG2 THR 54 47.488 57.301 56.949 432 2HG2 THR 54 3HG2 THR 54 47.668 55.639 56.312 433 3HG2 THR 54 2HG2 THR 54 48.940 56.254 57.397 434 H ASN 55 H ASN 55 47.704 56.800 52.538 435 HA ASN 55 HA ASN 55 44.785 56.516 53.163 436 1HB ASN 55 2HB ASN 55 45.628 58.079 51.238 437 2HB ASN 55 1HB ASN 55 45.911 56.466 50.348 438 1HD2 ASN 55 2HD2 ASN 55 42.133 57.955 51.076 439 2HD2 ASN 55 1HD2 ASN 55 43.709 58.634 51.911 440 H SER 56 H SER 56 46.610 54.895 54.088 441 HA SER 56 HA SER 56 46.342 52.279 52.672 442 1HB SER 56 2HB SER 56 48.043 53.139 55.185 443 2HB SER 56 1HB SER 56 48.041 51.499 54.347 444 HG SER 56 HG SER 56 49.589 52.606 53.424 445 H THR 57 H THR 57 44.637 51.448 52.909 446 HA THR 57 HA THR 57 42.539 51.866 54.661 447 HB THR 57 HB THR 57 43.214 49.345 53.092 448 HG1 THR 57 1HG THR 57 41.091 50.225 52.274 449 1HG2 THR 57 3HG2 THR 57 40.871 49.959 55.015 450 2HG2 THR 57 2HG2 THR 57 40.835 48.622 53.796 451 3HG2 THR 57 1HG2 THR 57 42.090 48.618 55.091 452 H PHE 58 H PHE 58 45.153 49.514 54.955 453 HA PHE 58 HA PHE 58 44.110 48.347 57.386 454 1HB PHE 58 2HB PHE 58 46.515 47.880 58.217 455 2HB PHE 58 1HB PHE 58 45.976 47.056 56.710 456 HD1 PHE 58 HD1 PHE 58 47.724 50.519 57.356 457 HD2 PHE 58 HD2 PHE 58 47.626 46.701 55.348 458 HE1 PHE 58 HE1 PHE 58 49.773 51.061 56.124 459 HE2 PHE 58 HE2 PHE 58 49.654 47.270 54.154 460 HZ PHE 58 HZ PHE 58 50.774 49.450 54.511 461 H ARG 59 H ARG 59 45.857 51.185 56.812 462 HA ARG 59 HA ARG 59 44.715 52.283 59.373 463 1HB ARG 59 2HB ARG 59 47.513 51.173 59.397 464 2HB ARG 59 1HB ARG 59 47.231 52.869 60.137 465 1HG ARG 59 2HG ARG 59 45.103 51.297 61.130 466 2HG ARG 59 1HG ARG 59 46.609 50.219 61.132 467 1HD ARG 59 2HD ARG 59 47.861 51.861 62.396 468 2HD ARG 59 1HD ARG 59 46.521 53.074 62.181 469 HE ARG 59 HE ARG 59 46.601 50.886 64.099 470 1HH1 ARG 59 1HH2 ARG 59 44.582 53.098 62.161 471 2HH1 ARG 59 2HH2 ARG 59 43.204 52.999 63.229 472 1HH2 ARG 59 2HH1 ARG 59 44.745 50.775 65.537 473 2HH2 ARG 59 1HH1 ARG 59 43.277 51.621 65.227 474 H ASN 60 H ASN 60 44.302 54.171 59.279 475 HA ASN 60 HA ASN 60 46.128 55.988 57.694 476 1HB ASN 60 2HB ASN 60 43.139 56.487 58.403 477 2HB ASN 60 1HB ASN 60 44.179 57.419 57.211 478 1HD2 ASN 60 1HD2 ASN 60 42.537 53.764 56.204 479 2HD2 ASN 60 2HD2 ASN 60 42.718 54.238 57.897 480 H TYR 61 H TYR 61 47.367 56.069 59.607 481 HA TYR 61 HA TYR 61 46.329 57.072 62.120 482 1HB TYR 61 2HB TYR 61 48.638 55.982 61.733 483 2HB TYR 61 1HB TYR 61 49.109 57.493 60.821 484 HD1 TYR 61 HD1 TYR 61 47.941 56.133 64.059 485 HD2 TYR 61 HD2 TYR 61 49.942 59.403 62.104 486 HE1 TYR 61 HE1 TYR 61 48.514 57.022 66.302 487 HE2 TYR 61 HE2 TYR 61 50.519 60.307 64.346 488 HH TYR 61 HH TYR 61 50.882 59.277 66.638 489 H ASP 62 H ASP 62 47.818 58.507 59.334 490 HA ASP 62 HA ASP 62 47.907 60.600 58.363 491 1HB ASP 62 2HB ASP 62 45.247 60.961 59.799 492 2HB ASP 62 1HB ASP 62 45.869 61.807 58.246 493 H LEU 63 H LEU 63 49.114 62.106 58.664 494 HA LEU 63 HA LEU 63 49.285 63.438 61.267 495 1HB LEU 63 2HB LEU 63 51.308 62.776 59.465 496 2HB LEU 63 1HB LEU 63 50.834 64.358 58.749 497 HG LEU 63 HG LEU 63 52.028 65.520 60.216 498 1HD1 LEU 63 1HD1 LEU 63 49.977 65.311 61.707 499 2HD1 LEU 63 3HD1 LEU 63 50.835 63.984 62.585 500 3HD1 LEU 63 2HD1 LEU 63 51.574 65.645 62.537 501 1HD2 LEU 63 2HD2 LEU 63 52.819 62.655 60.847 502 2HD2 LEU 63 1HD2 LEU 63 53.847 64.106 60.442 503 3HD2 LEU 63 3HD2 LEU 63 53.186 63.917 62.119 504 H ASP 64 H ASP 64 47.488 64.826 61.556 505 HA ASP 64 HA ASP 64 47.382 66.994 59.395 506 1HB ASP 64 2HB ASP 64 45.508 65.549 58.896 507 2HB ASP 64 1HB ASP 64 45.218 65.160 60.695 508 H PHE 65 H PHE 65 48.622 68.287 60.506 509 HA PHE 65 HA PHE 65 47.099 69.550 62.760 510 1HB PHE 65 2HB PHE 65 49.031 69.567 64.264 511 2HB PHE 65 1HB PHE 65 48.609 67.876 63.757 512 HD1 PHE 65 HD1 PHE 65 50.319 69.209 60.895 513 HD2 PHE 65 HD2 PHE 65 50.882 68.027 65.019 514 HE1 PHE 65 HE1 PHE 65 52.607 68.807 60.480 515 HE2 PHE 65 HE2 PHE 65 53.235 67.612 64.564 516 HZ PHE 65 HZ PHE 65 54.186 67.985 62.292 517 H THR 66 H THR 66 49.806 71.088 63.269 518 HA THR 66 HA THR 66 50.197 72.590 60.772 519 HB THR 66 HB THR 66 48.298 73.216 62.992 520 HG1 THR 66 1HG THR 66 47.366 73.688 61.309 521 1HG2 THR 66 2HG2 THR 66 50.450 75.244 61.942 522 2HG2 THR 66 1HG2 THR 66 48.917 75.848 62.672 523 3HG2 THR 66 3HG2 THR 66 50.140 74.911 63.687 524 H VAL 67 H VAL 67 51.967 74.158 61.111 525 HA VAL 67 HA VAL 67 53.923 73.075 63.106 526 HB VAL 67 HB VAL 67 54.180 75.504 61.247 527 1HG1 VAL 67 3HG1 VAL 67 55.975 73.619 62.836 528 2HG1 VAL 67 2HG1 VAL 67 56.679 74.586 61.439 529 3HG1 VAL 67 1HG1 VAL 67 55.936 75.446 62.883 530 1HG2 VAL 67 2HG2 VAL 67 53.854 72.641 60.622 531 2HG2 VAL 67 1HG2 VAL 67 54.404 74.011 59.528 532 3HG2 VAL 67 3HG2 VAL 67 55.612 73.082 60.502 533 H GLY 68 H GLY 68 54.786 73.856 64.672 534 1HA GLY 68 1HA GLY 68 55.137 75.235 66.524 535 2HA GLY 68 2HA GLY 68 54.152 76.549 65.704 536 H VAL 69 H VAL 69 52.314 73.800 65.677 537 HA VAL 69 HA VAL 69 50.381 74.870 67.568 538 HB VAL 69 HB VAL 69 51.085 72.316 66.037 539 1HG1 VAL 69 3HG1 VAL 69 48.969 72.395 68.220 540 2HG1 VAL 69 2HG1 VAL 69 49.095 71.057 66.993 541 3HG1 VAL 69 1HG1 VAL 69 50.425 71.282 68.139 542 1HG2 VAL 69 1HG2 VAL 69 49.289 74.522 65.600 543 2HG2 VAL 69 3HG2 VAL 69 49.272 72.975 64.660 544 3HG2 VAL 69 2HG2 VAL 69 48.230 73.177 66.136 545 H GLU 70 H GLU 70 52.732 72.289 67.360 546 HA GLU 70 HA GLU 70 53.915 71.101 69.044 547 1HB GLU 70 2HB GLU 70 54.130 73.482 70.122 548 2HB GLU 70 1HB GLU 70 52.816 72.897 71.256 549 1HG GLU 70 2HG GLU 70 53.956 70.952 71.867 550 2HG GLU 70 1HG GLU 70 55.416 71.420 70.763 551 H PHE 71 H PHE 71 52.893 69.359 68.738 552 HA PHE 71 HA PHE 71 50.235 68.978 69.985 553 1HB PHE 71 2HB PHE 71 51.992 67.056 68.441 554 2HB PHE 71 1HB PHE 71 50.940 66.343 69.767 555 HD1 PHE 71 HD1 PHE 71 49.788 69.361 67.998 556 HD2 PHE 71 HD2 PHE 71 49.761 65.081 68.155 557 HE1 PHE 71 HE1 PHE 71 47.855 69.317 66.530 558 HE2 PHE 71 HE2 PHE 71 47.792 65.024 66.663 559 HZ PHE 71 HZ PHE 71 46.802 67.162 65.821 560 H ASP 72 H ASP 72 50.620 69.692 71.965 561 HA ASP 72 HA ASP 72 52.444 68.818 73.957 562 1HB ASP 72 2HB ASP 72 50.461 69.472 75.519 563 2HB ASP 72 1HB ASP 72 50.993 70.756 74.269 564 H GLU 73 H GLU 73 52.536 66.539 73.454 565 HA GLU 73 HA GLU 73 52.040 64.157 74.028 566 1HB GLU 73 2HB GLU 73 50.298 65.434 76.156 567 2HB GLU 73 1HB GLU 73 51.083 63.833 76.169 568 1HG GLU 73 2HG GLU 73 52.946 64.670 77.080 569 2HG GLU 73 1HG GLU 73 53.141 65.921 75.678 570 H HIS 74 H HIS 74 51.086 63.896 72.104 571 HA HIS 74 HA HIS 74 48.285 63.093 72.470 572 1HB HIS 74 2HB HIS 74 48.008 65.469 72.065 573 2HB HIS 74 1HB HIS 74 49.082 65.369 70.560 574 HD1 HIS 74 HD1 HIS 74 46.836 62.491 70.879 575 HD2 HIS 74 HD2 HIS 74 46.793 66.420 69.274 576 HE1 HIS 74 HE1 HIS 74 44.889 62.575 69.193 577 HE2 HIS 74 HE2 HIS 74 44.891 64.973 68.251 578 H THR 75 H THR 75 48.776 61.099 71.826 579 HA THR 75 HA THR 75 49.385 60.825 68.908 580 HB THR 75 HB THR 75 51.036 59.286 69.143 581 HG1 THR 75 1HG THR 75 50.930 57.574 70.457 582 1HG2 THR 75 3HG2 THR 75 51.485 61.178 71.099 583 2HG2 THR 75 2HG2 THR 75 50.851 59.949 72.244 584 3HG2 THR 75 1HG2 THR 75 52.344 59.594 71.320 585 H LYS 76 H LYS 76 48.380 58.923 71.651 586 HA LYS 76 HA LYS 76 46.675 57.197 71.861 587 1HB LYS 76 2HB LYS 76 45.531 59.635 70.505 588 2HB LYS 76 1HB LYS 76 44.542 58.129 70.394 589 1HG LYS 76 2HG LYS 76 44.084 58.111 72.621 590 2HG LYS 76 1HG LYS 76 45.837 58.555 73.020 591 1HD LYS 76 2HD LYS 76 43.997 60.167 73.768 592 2HD LYS 76 1HD LYS 76 45.441 60.894 72.848 593 1HE LYS 76 2HE LYS 76 44.026 61.573 71.118 594 2HE LYS 76 1HE LYS 76 43.201 59.965 71.101 595 1HZ LYS 76 3HZ LYS 76 42.480 61.933 73.203 596 2HZ LYS 76 2HZ LYS 76 41.741 61.903 71.679 597 3HZ LYS 76 1HZ LYS 76 41.758 60.552 72.692 598 H GLY 77 H GLY 77 44.868 56.274 70.803 599 1HA GLY 77 1HA GLY 77 44.062 54.680 69.215 600 2HA GLY 77 2HA GLY 77 45.236 55.361 68.027 601 H LEU 78 H LEU 78 47.142 54.953 67.877 602 HA LEU 78 HA LEU 78 47.940 52.281 67.673 603 1HB LEU 78 2HB LEU 78 48.778 54.733 66.747 604 2HB LEU 78 1HB LEU 78 50.081 54.375 67.934 605 HG LEU 78 HG LEU 78 50.452 52.139 66.806 606 1HD1 LEU 78 2HD1 LEU 78 47.894 52.801 65.481 607 2HD1 LEU 78 1HD1 LEU 78 49.173 52.011 64.415 608 3HD1 LEU 78 3HD1 LEU 78 48.636 51.222 65.936 609 1HD2 LEU 78 1HD2 LEU 78 50.600 54.719 65.232 610 2HD2 LEU 78 3HD2 LEU 78 51.919 53.513 65.508 611 3HD2 LEU 78 2HD2 LEU 78 50.653 53.241 64.236 612 H ASP 79 H ASP 79 49.376 54.815 69.765 613 HA ASP 79 HA ASP 79 50.385 52.553 71.484 614 1HB ASP 79 2HB ASP 79 52.172 53.688 70.545 615 2HB ASP 79 1HB ASP 79 51.463 55.373 70.848 616 H GLY 80 H GLY 80 49.555 56.044 71.483 617 1HA GLY 80 1HA GLY 80 48.505 57.398 72.777 618 2HA GLY 80 2HA GLY 80 47.591 55.971 73.595 619 H ARG 81 H ARG 81 50.203 58.247 73.591 620 HA ARG 81 HA ARG 81 50.691 57.521 76.461 621 1HB ARG 81 2HB ARG 81 52.442 56.626 74.711 622 2HB ARG 81 1HB ARG 81 52.965 58.395 74.549 623 1HG ARG 81 2HG ARG 81 54.380 57.322 76.350 624 2HG ARG 81 1HG ARG 81 53.134 58.352 77.162 625 1HD ARG 81 2HD ARG 81 53.417 56.135 78.165 626 2HD ARG 81 1HD ARG 81 51.711 56.327 77.616 627 HE ARG 81 HE ARG 81 52.125 54.933 75.732 628 1HH1 ARG 81 2HH2 ARG 81 54.962 55.061 77.944 629 2HH1 ARG 81 1HH2 ARG 81 55.692 53.617 77.276 630 1HH2 ARG 81 1HH1 ARG 81 53.196 52.947 74.856 631 2HH2 ARG 81 2HH1 ARG 81 54.725 52.491 75.607 632 H ASN 82 H ASN 82 53.033 59.811 75.946 633 HA ASN 82 HA ASN 82 51.279 62.016 75.695 634 1HB ASN 82 2HB ASN 82 51.723 62.964 78.101 635 2HB ASN 82 1HB ASN 82 50.482 61.584 78.016 636 1HD2 ASN 82 2HD2 ASN 82 53.913 61.444 80.115 637 2HD2 ASN 82 1HD2 ASN 82 53.283 62.829 79.259 638 H VAL 83 H VAL 83 52.757 62.365 74.217 639 HA VAL 83 HA VAL 83 55.482 63.327 75.204 640 HB VAL 83 HB VAL 83 55.197 62.501 72.409 641 1HG1 VAL 83 1HG1 VAL 83 57.163 62.345 74.704 642 2HG1 VAL 83 3HG1 VAL 83 57.290 61.007 73.466 643 3HG1 VAL 83 2HG1 VAL 83 57.482 62.771 73.004 644 1HG2 VAL 83 3HG2 VAL 83 53.704 60.779 73.441 645 2HG2 VAL 83 2HG2 VAL 83 55.285 60.080 72.855 646 3HG2 VAL 83 1HG2 VAL 83 55.060 60.358 74.624 647 H LYS 84 H LYS 84 56.148 65.106 74.740 648 HA LYS 84 HA LYS 84 54.631 67.153 73.272 649 1HB LYS 84 2HB LYS 84 57.157 67.132 74.799 650 2HB LYS 84 1HB LYS 84 57.469 67.825 73.156 651 1HG LYS 84 2HG LYS 84 56.674 69.579 74.713 652 2HG LYS 84 1HG LYS 84 55.488 69.261 73.324 653 1HD LYS 84 2HD LYS 84 54.401 69.598 75.557 654 2HD LYS 84 1HD LYS 84 54.051 67.943 74.953 655 1HE LYS 84 2HE LYS 84 54.757 67.880 77.400 656 2HE LYS 84 1HE LYS 84 55.932 67.008 76.311 657 1HZ LYS 84 3HZ LYS 84 56.312 69.895 76.782 658 2HZ LYS 84 2HZ LYS 84 56.851 68.812 77.939 659 3HZ LYS 84 1HZ LYS 84 57.477 68.803 76.382 660 H THR 85 H THR 85 53.985 66.333 71.591 661 HA THR 85 HA THR 85 55.769 65.391 69.423 662 HB THR 85 HB THR 85 52.770 65.588 69.919 663 HG1 THR 85 1HG THR 85 53.135 63.927 70.833 664 1HG2 THR 85 3HG2 THR 85 54.680 64.471 67.619 665 2HG2 THR 85 2HG2 THR 85 52.951 63.841 67.877 666 3HG2 THR 85 1HG2 THR 85 53.281 65.555 67.355 667 H LEU 86 H LEU 86 56.654 67.572 69.903 668 HA LEU 86 HA LEU 86 55.525 69.886 68.717 669 1HB LEU 86 2HB LEU 86 57.419 69.940 70.345 670 2HB LEU 86 1HB LEU 86 58.486 69.108 69.138 671 HG LEU 86 HG LEU 86 57.200 71.679 68.125 672 1HD1 LEU 86 3HD1 LEU 86 59.258 71.421 70.355 673 2HD1 LEU 86 2HD1 LEU 86 59.095 72.897 69.288 674 3HD1 LEU 86 1HD1 LEU 86 57.722 72.380 70.379 675 1HD2 LEU 86 3HD2 LEU 86 59.873 70.116 68.147 676 2HD2 LEU 86 2HD2 LEU 86 58.790 70.479 66.716 677 3HD2 LEU 86 1HD2 LEU 86 59.802 71.804 67.546 678 H VAL 87 H VAL 87 55.800 70.905 66.968 679 HA VAL 87 HA VAL 87 57.015 69.603 64.621 680 HB VAL 87 HB VAL 87 54.573 69.160 64.510 681 1HG1 VAL 87 1HG1 VAL 87 54.017 72.066 65.382 682 2HG1 VAL 87 3HG1 VAL 87 52.849 70.767 64.858 683 3HG1 VAL 87 2HG1 VAL 87 53.871 70.521 66.311 684 1HG2 VAL 87 1HG2 VAL 87 55.442 71.577 62.818 685 2HG2 VAL 87 3HG2 VAL 87 55.139 69.900 62.293 686 3HG2 VAL 87 2HG2 VAL 87 53.729 70.942 62.676 687 H THR 88 H THR 88 58.130 70.856 63.333 688 HA THR 88 HA THR 88 57.933 73.815 63.466 689 HB THR 88 HB THR 88 60.319 72.077 64.380 690 HG1 THR 88 1HG THR 88 58.581 73.791 65.748 691 1HG2 THR 88 2HG2 THR 88 59.918 75.168 63.942 692 2HG2 THR 88 1HG2 THR 88 61.042 74.479 65.142 693 3HG2 THR 88 3HG2 THR 88 61.262 74.046 63.364 694 H TRP 89 H TRP 89 59.486 74.695 62.053 695 HA TRP 89 HA TRP 89 59.865 73.344 59.340 696 1HB TRP 89 2HB TRP 89 59.607 76.162 60.568 697 2HB TRP 89 1HB TRP 89 60.467 75.996 58.994 698 HD1 TRP 89 HD1 TRP 89 56.980 76.371 60.180 699 HE1 TRP 89 HE1 TRP 89 55.466 75.349 58.392 700 HE3 TRP 89 HE3 TRP 89 60.509 74.008 57.539 701 HZ2 TRP 89 HZ2 TRP 89 55.848 73.528 55.975 702 HZ3 TRP 89 HZ3 TRP 89 60.011 72.656 55.588 703 HH2 TRP 89 HH2 TRP 89 57.732 72.453 54.928 704 H GLU 90 H GLU 90 62.027 72.947 58.556 705 HA GLU 90 HA GLU 90 63.989 73.538 60.702 706 1HB GLU 90 2HB GLU 90 63.559 71.225 59.557 707 2HB GLU 90 1HB GLU 90 64.372 71.968 58.130 708 1HG GLU 90 2HG GLU 90 66.208 72.584 60.271 709 2HG GLU 90 1HG GLU 90 65.492 70.913 60.641 710 H GLY 91 H GLY 91 63.460 73.873 57.293 711 1HA GLY 91 1HA GLY 91 64.588 76.465 56.963 712 2HA GLY 91 2HA GLY 91 65.821 75.224 56.437 713 H ASN 92 H ASN 92 64.475 73.300 55.725 714 HA ASN 92 HA ASN 92 62.468 74.038 53.599 715 1HB ASN 92 2HB ASN 92 64.115 72.228 52.174 716 2HB ASN 92 1HB ASN 92 64.279 74.101 52.083 717 1HD2 ASN 92 1HD2 ASN 92 67.233 74.352 53.637 718 2HD2 ASN 92 2HD2 ASN 92 65.821 75.067 52.873 719 H THR 93 H THR 93 62.298 72.666 56.119 720 HA THR 93 HA THR 93 60.690 70.408 55.254 721 HB THR 93 HB THR 93 63.136 69.480 55.208 722 HG1 THR 93 1HG THR 93 61.385 68.369 54.926 723 1HG2 THR 93 2HG2 THR 93 63.486 70.263 57.768 724 2HG2 THR 93 1HG2 THR 93 62.390 68.884 58.174 725 3HG2 THR 93 3HG2 THR 93 63.969 68.585 57.348 726 H LEU 94 H LEU 94 59.905 69.117 56.761 727 HA LEU 94 HA LEU 94 58.983 70.594 59.130 728 1HB LEU 94 2HB LEU 94 57.328 69.771 57.391 729 2HB LEU 94 1HB LEU 94 57.812 68.068 57.873 730 HG LEU 94 HG LEU 94 57.383 69.177 60.298 731 1HD1 LEU 94 3HD1 LEU 94 55.735 70.936 58.360 732 2HD1 LEU 94 2HD1 LEU 94 54.902 70.348 59.852 733 3HD1 LEU 94 1HD1 LEU 94 56.393 71.327 59.996 734 1HD2 LEU 94 1HD2 LEU 94 55.995 67.419 58.569 735 2HD2 LEU 94 3HD2 LEU 94 55.782 67.456 60.332 736 3HD2 LEU 94 2HD2 LEU 94 54.702 68.515 59.260 737 H VAL 95 H VAL 95 60.499 70.394 60.434 738 HA VAL 95 HA VAL 95 61.463 67.821 61.432 739 HB VAL 95 HB VAL 95 61.483 70.797 62.193 740 1HG1 VAL 95 2HG1 VAL 95 62.226 68.523 64.047 741 2HG1 VAL 95 1HG1 VAL 95 63.215 70.043 64.160 742 3HG1 VAL 95 3HG1 VAL 95 61.472 70.188 64.348 743 1HG2 VAL 95 2HG2 VAL 95 63.200 69.548 60.527 744 2HG2 VAL 95 1HG2 VAL 95 63.822 70.807 61.750 745 3HG2 VAL 95 3HG2 VAL 95 64.039 69.030 62.052 746 H CYS 96 H CYS 96 60.467 66.639 63.032 747 HA CYS 96 HA CYS 96 58.845 68.147 65.023 748 1HB CYS 96 2HB CYS 96 57.815 65.388 63.968 749 2HB CYS 96 1HB CYS 96 56.916 66.520 64.965 750 HG CYS 96 HG CYS 96 55.837 67.296 62.927 751 H VAL 97 H VAL 97 59.228 67.671 66.881 752 HA VAL 97 HA VAL 97 61.175 65.496 67.592 753 HB VAL 97 HB VAL 97 60.683 68.018 69.168 754 1HG1 VAL 97 2HG1 VAL 97 63.070 66.093 68.765 755 2HG1 VAL 97 1HG1 VAL 97 63.356 67.821 69.213 756 3HG1 VAL 97 3HG1 VAL 97 62.343 66.761 70.305 757 1HG2 VAL 97 2HG2 VAL 97 62.014 67.583 66.477 758 2HG2 VAL 97 1HG2 VAL 97 60.862 68.909 66.997 759 3HG2 VAL 97 3HG2 VAL 97 62.580 68.943 67.592 760 H GLN 98 H GLN 98 59.313 64.069 68.000 761 HA GLN 98 HA GLN 98 57.464 64.426 70.246 762 1HB GLN 98 2HB GLN 98 58.097 62.481 68.313 763 2HB GLN 98 1HB GLN 98 58.628 61.675 69.896 764 1HG GLN 98 2HG GLN 98 56.306 61.798 70.755 765 2HG GLN 98 1HG GLN 98 55.904 63.083 69.512 766 1HE2 GLN 98 1HE2 GLN 98 55.000 59.298 68.954 767 2HE2 GLN 98 2HE2 GLN 98 55.370 60.068 70.517 768 H LYS 99 H LYS 99 58.005 65.081 72.115 769 HA LYS 99 HA LYS 99 60.269 63.365 73.328 770 1HB LYS 99 2HB LYS 99 61.000 65.737 72.503 771 2HB LYS 99 1HB LYS 99 59.997 66.396 73.816 772 1HG LYS 99 2HG LYS 99 61.621 64.230 74.906 773 2HG LYS 99 1HG LYS 99 62.729 65.389 74.118 774 1HD LYS 99 2HD LYS 99 60.668 66.833 75.608 775 2HD LYS 99 1HD LYS 99 61.335 65.509 76.692 776 1HE LYS 99 2HE LYS 99 63.607 66.574 75.411 777 2HE LYS 99 1HE LYS 99 62.540 68.028 75.609 778 1HZ LYS 99 2HZ LYS 99 63.160 66.204 77.827 779 2HZ LYS 99 1HZ LYS 99 64.070 67.568 77.556 780 3HZ LYS 99 3HZ LYS 99 62.430 67.700 77.908 781 H GLY 100 H GLY 100 60.129 62.890 75.376 782 1HA GLY 100 1HA GLY 100 59.129 64.082 77.585 783 2HA GLY 100 2HA GLY 100 57.536 63.795 76.841 784 H GLU 101 H GLU 101 58.949 63.001 79.214 785 HA GLU 101 HA GLU 101 59.033 61.297 80.744 786 1HB GLU 101 2HB GLU 101 56.772 60.572 80.037 787 2HB GLU 101 1HB GLU 101 57.374 59.911 78.502 788 1HG GLU 101 2HG GLU 101 56.898 58.132 80.193 789 2HG GLU 101 1HG GLU 101 58.704 58.218 79.883 790 H LYS 102 H LYS 102 59.416 59.777 77.543 791 HA LYS 102 HA LYS 102 62.248 59.091 78.177 792 1HB LYS 102 2HB LYS 102 61.844 56.621 77.881 793 2HB LYS 102 1HB LYS 102 61.159 57.336 79.387 794 1HG LYS 102 2HG LYS 102 59.172 56.304 78.747 795 2HG LYS 102 1HG LYS 102 59.008 57.651 77.556 796 1HD LYS 102 2HD LYS 102 58.800 55.900 76.132 797 2HD LYS 102 1HD LYS 102 60.587 56.104 75.998 798 1HE LYS 102 2HE LYS 102 59.350 54.190 78.082 799 2HE LYS 102 1HE LYS 102 59.728 53.757 76.378 800 1HZ LYS 102 2HZ LYS 102 61.994 54.590 76.833 801 2HZ LYS 102 1HZ LYS 102 61.627 54.743 78.466 802 3HZ LYS 102 3HZ LYS 102 61.675 53.230 77.696 803 H GLU 103 H GLU 103 59.494 58.708 75.973 804 HA GLU 103 HA GLU 103 60.937 57.413 73.857 805 1HB GLU 103 2HB GLU 103 58.537 59.335 73.684 806 2HB GLU 103 1HB GLU 103 59.196 58.274 72.346 807 1HG GLU 103 2HG GLU 103 58.916 56.351 74.148 808 2HG GLU 103 1HG GLU 103 57.671 57.520 74.850 809 H ASN 104 H ASN 104 61.655 57.840 72.094 810 HA ASN 104 HA ASN 104 62.298 60.602 71.266 811 1HB ASN 104 2HB ASN 104 63.981 58.152 71.821 812 2HB ASN 104 1HB ASN 104 64.447 58.979 70.232 813 1HD2 ASN 104 2HD2 ASN 104 66.489 60.461 72.878 814 2HD2 ASN 104 1HD2 ASN 104 66.281 58.767 72.071 815 H ARG 105 H ARG 105 60.337 60.394 70.260 816 HA ARG 105 HA ARG 105 60.129 58.280 68.211 817 1HB ARG 105 2HB ARG 105 57.919 59.899 69.547 818 2HB ARG 105 1HB ARG 105 57.699 59.158 67.927 819 1HG ARG 105 2HG ARG 105 58.948 57.645 70.229 820 2HG ARG 105 1HG ARG 105 57.099 57.791 70.008 821 1HD ARG 105 2HD ARG 105 58.853 56.825 67.723 822 2HD ARG 105 1HD ARG 105 58.276 55.642 68.937 823 HE ARG 105 HE ARG 105 56.346 57.542 67.634 824 1HH1 ARG 105 2HH1 ARG 105 57.461 54.097 68.161 825 2HH1 ARG 105 1HH1 ARG 105 55.983 53.477 67.459 826 1HH2 ARG 105 2HH2 ARG 105 54.442 56.460 66.724 827 2HH2 ARG 105 1HH2 ARG 105 54.316 54.709 66.655 828 H GLY 106 H GLY 106 61.409 60.950 68.599 829 1HA GLY 106 1HA GLY 106 60.929 63.052 66.900 830 2HA GLY 106 2HA GLY 106 62.548 62.264 67.044 831 H TRP 107 H TRP 107 59.536 62.388 65.382 832 HA TRP 107 HA TRP 107 60.647 61.194 62.914 833 1HB TRP 107 2HB TRP 107 58.637 60.246 62.455 834 2HB TRP 107 1HB TRP 107 58.056 60.724 64.113 835 HD1 TRP 107 HD1 TRP 107 58.139 61.717 60.421 836 HE1 TRP 107 HE1 TRP 107 56.497 63.700 59.911 837 HE3 TRP 107 HE3 TRP 107 57.015 62.684 65.148 838 HZ2 TRP 107 HZ2 TRP 107 55.081 65.259 61.429 839 HZ3 TRP 107 HZ3 TRP 107 55.402 64.545 65.646 840 HH2 TRP 107 HH2 TRP 107 54.497 65.762 63.782 841 H LYS 108 H LYS 108 61.006 62.076 61.188 842 HA LYS 108 HA LYS 108 59.946 64.718 60.645 843 1HB LYS 108 2HB LYS 108 62.682 65.203 60.221 844 2HB LYS 108 1HB LYS 108 61.819 65.704 61.780 845 1HG LYS 108 2HG LYS 108 62.469 63.342 62.679 846 2HG LYS 108 1HG LYS 108 63.498 63.239 61.142 847 1HD LYS 108 2HD LYS 108 64.968 63.947 63.022 848 2HD LYS 108 1HD LYS 108 64.667 65.408 62.045 849 1HE LYS 108 2HE LYS 108 64.057 66.169 64.153 850 2HE LYS 108 1HE LYS 108 62.452 65.349 63.735 851 1HZ LYS 108 2HZ LYS 108 63.860 63.320 64.730 852 2HZ LYS 108 1HZ LYS 108 64.588 64.523 65.591 853 3HZ LYS 108 3HZ LYS 108 62.961 64.288 65.768 854 H GLN 109 H GLN 109 60.559 65.735 58.852 855 HA GLN 109 HA GLN 109 61.038 63.770 56.551 856 1HB GLN 109 2HB GLN 109 59.843 66.579 56.493 857 2HB GLN 109 1HB GLN 109 59.494 65.270 55.279 858 1HG GLN 109 2HG GLN 109 58.509 65.567 58.170 859 2HG GLN 109 1HG GLN 109 57.544 65.240 56.567 860 1HE2 GLN 109 2HE2 GLN 109 58.635 62.182 58.704 861 2HE2 GLN 109 1HE2 GLN 109 58.282 63.944 59.277 862 H TRP 110 H TRP 110 61.969 64.732 54.559 863 HA TRP 110 HA TRP 110 63.068 67.321 54.486 864 1HB TRP 110 2HB TRP 110 65.529 66.607 54.744 865 2HB TRP 110 1HB TRP 110 64.492 67.014 56.189 866 HD1 TRP 110 HD1 TRP 110 65.113 63.579 54.223 867 HE1 TRP 110 HE1 TRP 110 65.599 61.854 56.095 868 HE3 TRP 110 HE3 TRP 110 64.769 66.662 58.034 869 HZ2 TRP 110 HZ2 TRP 110 65.777 61.956 58.869 870 HZ3 TRP 110 HZ3 TRP 110 65.085 65.982 60.322 871 HH2 TRP 110 HH2 TRP 110 65.594 63.593 60.734 872 H VAL 111 H VAL 111 62.423 67.468 52.586 873 HA VAL 111 HA VAL 111 62.444 65.826 50.315 874 HB VAL 111 HB VAL 111 63.445 68.729 50.439 875 1HG1 VAL 111 1HG1 VAL 111 62.050 67.122 48.177 876 2HG1 VAL 111 3HG1 VAL 111 62.304 68.881 48.130 877 3HG1 VAL 111 2HG1 VAL 111 63.735 67.847 48.223 878 1HG2 VAL 111 1HG2 VAL 111 60.591 67.525 50.638 879 2HG2 VAL 111 3HG2 VAL 111 61.383 68.883 51.614 880 3HG2 VAL 111 2HG2 VAL 111 60.826 69.145 49.916 881 H GLU 112 H GLU 112 63.798 64.337 50.147 882 HA GLU 112 HA GLU 112 66.645 65.103 49.780 883 1HB GLU 112 2HB GLU 112 65.452 63.317 51.409 884 2HB GLU 112 1HB GLU 112 65.831 62.255 49.986 885 1HG GLU 112 2HG GLU 112 67.846 62.054 50.993 886 2HG GLU 112 1HG GLU 112 68.154 63.741 50.187 887 H GLY 113 H GLY 113 65.471 65.900 47.682 888 1HA GLY 113 1HA GLY 113 66.180 65.639 45.333 889 2HA GLY 113 2HA GLY 113 66.210 63.842 45.548 890 H ASP 114 H ASP 114 64.655 62.854 44.885 891 HA ASP 114 HA ASP 114 62.100 64.211 43.925 892 1HB ASP 114 2HB ASP 114 63.947 62.002 42.833 893 2HB ASP 114 1HB ASP 114 62.180 62.040 42.310 894 H LYS 115 H LYS 115 62.849 62.876 46.449 895 HA LYS 115 HA LYS 115 60.239 61.668 47.030 896 1HB LYS 115 2HB LYS 115 61.020 59.501 47.805 897 2HB LYS 115 1HB LYS 115 61.643 59.633 46.100 898 1HG LYS 115 2HG LYS 115 63.767 60.715 47.192 899 2HG LYS 115 1HG LYS 115 63.118 60.110 48.765 900 1HD LYS 115 2HD LYS 115 63.540 57.874 48.245 901 2HD LYS 115 1HD LYS 115 63.136 58.114 46.498 902 1HE LYS 115 2HE LYS 115 65.342 58.891 46.052 903 2HE LYS 115 1HE LYS 115 65.411 59.682 47.669 904 1HZ LYS 115 3HZ LYS 115 65.493 57.124 48.465 905 2HZ LYS 115 2HZ LYS 115 66.275 56.946 46.990 906 3HZ LYS 115 1HZ LYS 115 66.828 58.051 48.109 907 H LEU 116 H LEU 116 60.025 61.043 49.231 908 HA LEU 116 HA LEU 116 61.677 63.057 50.813 909 1HB LEU 116 2HB LEU 116 58.808 62.144 51.060 910 2HB LEU 116 1HB LEU 116 59.701 62.550 52.554 911 HG LEU 116 HG LEU 116 59.895 64.482 50.256 912 1HD1 LEU 116 3HD1 LEU 116 57.398 63.659 51.110 913 2HD1 LEU 116 2HD1 LEU 116 57.739 64.961 52.366 914 3HD1 LEU 116 1HD1 LEU 116 57.675 65.354 50.625 915 1HD2 LEU 116 2HD2 LEU 116 61.233 64.597 52.586 916 2HD2 LEU 116 1HD2 LEU 116 60.374 66.077 52.025 917 3HD2 LEU 116 3HD2 LEU 116 59.650 65.021 53.300 918 H TYR 117 H TYR 117 61.646 62.618 53.146 919 HA TYR 117 HA TYR 117 62.195 59.679 53.571 920 1HB TYR 117 2HB TYR 117 64.067 62.052 53.615 921 2HB TYR 117 1HB TYR 117 64.160 61.000 55.097 922 HD1 TYR 117 HD2 TYR 117 63.812 58.190 53.925 923 HD2 TYR 117 HD1 TYR 117 66.094 61.561 52.380 924 HE1 TYR 117 HE2 TYR 117 65.238 56.662 52.748 925 HE2 TYR 117 HE1 TYR 117 67.506 59.946 51.207 926 HH TYR 117 HH TYR 117 68.156 57.351 51.712 927 H LEU 118 H LEU 118 60.532 59.281 54.663 928 HA LEU 118 HA LEU 118 60.050 60.936 57.097 929 1HB LEU 118 2HB LEU 118 58.695 58.700 55.648 930 2HB LEU 118 1HB LEU 118 58.487 58.561 57.476 931 HG LEU 118 HG LEU 118 57.595 61.092 57.311 932 1HD1 LEU 118 2HD1 LEU 118 58.481 61.003 54.770 933 2HD1 LEU 118 1HD1 LEU 118 56.912 60.077 54.603 934 3HD1 LEU 118 3HD1 LEU 118 56.848 61.756 55.123 935 1HD2 LEU 118 2HD2 LEU 118 56.328 58.784 57.697 936 2HD2 LEU 118 1HD2 LEU 118 55.292 60.058 56.933 937 3HD2 LEU 118 3HD2 LEU 118 56.053 58.872 55.853 938 H GLU 119 H GLU 119 62.239 60.737 57.625 939 HA GLU 119 HA GLU 119 63.218 58.252 58.858 940 1HB GLU 119 2HB GLU 119 64.304 60.966 58.017 941 2HB GLU 119 1HB GLU 119 65.128 60.108 59.370 942 1HG GLU 119 2HG GLU 119 65.356 58.042 58.037 943 2HG GLU 119 1HG GLU 119 64.403 58.838 56.655 944 H LEU 120 H LEU 120 62.468 57.686 60.682 945 HA LEU 120 HA LEU 120 62.204 59.901 62.669 946 1HB LEU 120 2HB LEU 120 60.232 59.118 63.557 947 2HB LEU 120 1HB LEU 120 60.065 59.061 61.728 948 HG LEU 120 HG LEU 120 61.059 56.519 62.897 949 1HD1 LEU 120 3HD1 LEU 120 58.947 57.582 64.407 950 2HD1 LEU 120 2HD1 LEU 120 58.042 56.883 62.999 951 3HD1 LEU 120 1HD1 LEU 120 59.084 55.828 64.060 952 1HD2 LEU 120 3HD2 LEU 120 58.962 57.424 60.800 953 2HD2 LEU 120 2HD2 LEU 120 60.460 56.506 60.494 954 3HD2 LEU 120 1HD2 LEU 120 59.128 55.678 61.335 955 H THR 121 H THR 121 61.779 58.918 64.895 956 HA THR 121 HA THR 121 63.760 56.744 65.450 957 HB THR 121 HB THR 121 63.372 59.329 67.101 958 HG1 THR 121 1HG THR 121 64.331 59.933 65.292 959 1HG2 THR 121 2HG2 THR 121 65.097 56.764 67.190 960 2HG2 THR 121 1HG2 THR 121 65.903 58.307 67.733 961 3HG2 THR 121 3HG2 THR 121 64.439 57.638 68.593 962 H CYS 122 H CYS 122 63.192 55.915 67.875 963 HA CYS 122 HA CYS 122 60.532 56.304 68.897 964 1HB CYS 122 2HB CYS 122 60.179 53.580 68.202 965 2HB CYS 122 1HB CYS 122 59.450 54.904 67.286 966 HG CYS 122 HG CYS 122 61.119 52.660 66.236 967 H GLY 123 H GLY 123 63.059 56.405 69.769 968 1HA GLY 123 1HA GLY 123 63.485 55.812 72.205 969 2HA GLY 123 2HA GLY 123 63.042 54.138 71.725 970 H ASP 124 H ASP 124 64.160 53.336 69.898 971 HA ASP 124 HA ASP 124 66.803 54.105 69.041 972 1HB ASP 124 2HB ASP 124 67.968 52.060 70.144 973 2HB ASP 124 1HB ASP 124 67.584 53.387 71.364 974 H GLN 125 H GLN 125 64.532 53.468 67.944 975 HA GLN 125 HA GLN 125 65.102 50.703 66.756 976 1HB GLN 125 2HB GLN 125 62.552 52.016 67.570 977 2HB GLN 125 1HB GLN 125 62.448 51.209 65.983 978 1HG GLN 125 2HG GLN 125 61.919 49.415 67.217 979 2HG GLN 125 1HG GLN 125 63.772 49.288 67.271 980 1HE2 GLN 125 2HE2 GLN 125 63.476 49.213 70.734 981 2HE2 GLN 125 1HE2 GLN 125 63.881 48.331 69.087 982 H VAL 126 H VAL 126 65.454 53.833 66.324 983 HA VAL 126 HA VAL 126 64.923 55.407 64.556 984 HB VAL 126 HB VAL 126 67.380 55.039 65.082 985 1HG1 VAL 126 1HG1 VAL 126 66.826 52.438 64.125 986 2HG1 VAL 126 3HG1 VAL 126 67.937 53.113 62.863 987 3HG1 VAL 126 2HG1 VAL 126 68.441 53.094 64.645 988 1HG2 VAL 126 2HG2 VAL 126 66.388 55.731 62.369 989 2HG2 VAL 126 1HG2 VAL 126 67.695 56.471 63.389 990 3HG2 VAL 126 3HG2 VAL 126 68.054 55.046 62.347 991 H CYS 127 H CYS 127 62.991 54.374 63.674 992 HA CYS 127 HA CYS 127 63.079 52.610 61.348 993 1HB CYS 127 2HB CYS 127 61.118 53.770 63.114 994 2HB CYS 127 1HB CYS 127 60.901 54.655 61.600 995 HG CYS 127 HG CYS 127 59.098 52.699 61.795 996 H ARG 128 H ARG 128 62.995 52.893 59.254 997 HA ARG 128 HA ARG 128 63.188 55.791 58.421 998 1HB ARG 128 2HB ARG 128 65.158 55.422 57.073 999 2HB ARG 128 1HB ARG 128 65.534 54.614 58.660 1000 1HG ARG 128 2HG ARG 128 65.548 52.486 57.773 1001 2HG ARG 128 1HG ARG 128 64.364 52.811 56.509 1002 1HD ARG 128 2HD ARG 128 66.045 53.320 55.033 1003 2HD ARG 128 1HD ARG 128 66.788 54.520 56.184 1004 HE ARG 128 HE ARG 128 67.649 51.806 55.782 1005 1HH1 ARG 128 1HH2 ARG 128 67.520 54.469 58.098 1006 2HH1 ARG 128 2HH2 ARG 128 68.894 53.927 58.989 1007 1HH2 ARG 128 1HH1 ARG 128 69.531 51.032 56.987 1008 2HH2 ARG 128 2HH1 ARG 128 70.042 51.972 58.346 1009 H GLN 129 H GLN 129 62.538 56.312 56.379 1010 HA GLN 129 HA GLN 129 61.124 53.977 54.977 1011 1HB GLN 129 2HB GLN 129 60.080 56.862 55.187 1012 2HB GLN 129 1HB GLN 129 59.219 55.360 54.540 1013 1HG GLN 129 2HG GLN 129 60.209 54.955 57.304 1014 2HG GLN 129 1HG GLN 129 58.907 56.289 57.171 1015 1HE2 GLN 129 2HE2 GLN 129 58.292 52.258 56.430 1016 2HE2 GLN 129 1HE2 GLN 129 59.866 53.007 56.710 1017 H VAL 130 H VAL 130 60.327 54.482 52.719 1018 HA VAL 130 HA VAL 130 62.324 56.283 51.392 1019 HB VAL 130 HB VAL 130 62.022 53.842 49.700 1020 1HG1 VAL 130 2HG1 VAL 130 64.261 55.469 51.105 1021 2HG1 VAL 130 1HG1 VAL 130 64.654 53.847 50.500 1022 3HG1 VAL 130 3HG1 VAL 130 64.070 55.037 49.310 1023 1HG2 VAL 130 1HG2 VAL 130 63.227 53.273 52.456 1024 2HG2 VAL 130 3HG2 VAL 130 61.769 52.426 51.668 1025 3HG2 VAL 130 2HG2 VAL 130 63.385 52.296 50.969 1026 H PHE 131 H PHE 131 61.584 57.215 49.697 1027 HA PHE 131 HA PHE 131 58.724 56.607 48.915 1028 1HB PHE 131 2HB PHE 131 60.344 59.136 49.547 1029 2HB PHE 131 1HB PHE 131 58.770 59.220 48.579 1030 HD1 PHE 131 HD1 PHE 131 60.335 58.002 51.836 1031 HD2 PHE 131 HD2 PHE 131 56.800 59.090 49.657 1032 HE1 PHE 131 HE1 PHE 131 58.991 57.826 53.979 1033 HE2 PHE 131 HE2 PHE 131 55.536 58.894 51.787 1034 HZ PHE 131 HZ PHE 131 56.655 58.252 53.937 1035 H LYS 132 H LYS 132 58.044 58.071 47.132 1036 HA LYS 132 HA LYS 132 59.904 58.605 44.934 1037 1HB LYS 132 2HB LYS 132 59.602 56.218 44.423 1038 2HB LYS 132 1HB LYS 132 58.048 56.189 45.335 1039 1HG LYS 132 2HG LYS 132 57.597 55.811 43.017 1040 2HG LYS 132 1HG LYS 132 57.068 57.574 43.184 1041 1HD LYS 132 2HD LYS 132 59.908 57.299 42.597 1042 2HD LYS 132 1HD LYS 132 58.793 56.646 41.283 1043 1HE LYS 132 2HE LYS 132 57.556 58.889 41.387 1044 2HE LYS 132 1HE LYS 132 58.820 59.458 42.532 1045 1HZ LYS 132 1HZ LYS 132 60.434 58.922 40.618 1046 2HZ LYS 132 3HZ LYS 132 59.167 58.637 39.631 1047 3HZ LYS 132 2HZ LYS 132 59.318 60.142 40.314 1048 H LYS 133 H LYS 133 59.032 60.533 44.522 1049 HA LYS 133 HA LYS 133 56.312 61.396 45.331 1050 1HB LYS 133 2HB LYS 133 58.206 63.046 44.788 1051 2HB LYS 133 1HB LYS 133 58.062 62.491 43.067 1052 1HG LYS 133 2HG LYS 133 55.646 63.167 43.139 1053 2HG LYS 133 1HG LYS 133 55.785 63.618 44.886 1054 1HD LYS 133 2HD LYS 133 55.961 65.727 43.715 1055 2HD LYS 133 1HD LYS 133 57.627 65.225 44.201 1056 1HE LYS 133 2HE LYS 133 58.247 64.497 42.074 1057 2HE LYS 133 1HE LYS 133 56.515 64.253 41.544 1058 1HZ LYS 133 3HZ LYS 133 56.329 66.832 41.899 1059 2HZ LYS 133 2HZ LYS 133 58.009 66.774 41.632 1060 3HZ LYS 133 1HZ LYS 133 56.962 66.186 40.504 1061 H LYS 134 H LYS 134 55.038 59.892 44.937 1062 HA LYS 134 HA LYS 134 53.120 59.079 43.750 1063 1HB LYS 134 2HB LYS 134 53.500 61.723 43.076 1064 2HB LYS 134 1HB LYS 134 53.854 61.049 41.460 1065 1HG LYS 134 2HG LYS 134 51.509 59.788 41.737 1066 2HG LYS 134 1HG LYS 134 51.235 61.162 42.962 1067 1HD LYS 134 2HD LYS 134 52.089 61.410 40.044 1068 2HD LYS 134 1HD LYS 134 50.535 62.002 40.814 1069 1HE LYS 134 2HE LYS 134 52.052 63.260 42.494 1070 2HE LYS 134 1HE LYS 134 53.397 63.029 41.247 1071 1HZ LYS 134 2HZ LYS 134 50.819 64.163 40.429 1072 2HZ LYS 134 1HZ LYS 134 52.031 65.136 41.064 1073 3HZ LYS 134 3HZ LYS 134 52.298 64.289 39.688 No H/Q in entry = 1073 Start of MODEL 4 1 1H MET 1 1H MET 1 65.619 76.752 46.122 2 2H MET 1 3H MET 1 67.139 76.667 46.678 3 3H MET 1 2H MET 1 66.579 75.545 45.540 4 HA MET 1 HA MET 1 65.158 74.526 47.216 5 1HB MET 1 2HB MET 1 68.083 74.795 47.544 6 2HB MET 1 1HB MET 1 67.307 74.722 49.169 7 1HG MET 1 2HG MET 1 66.368 72.611 48.951 8 2HG MET 1 1HG MET 1 66.157 72.669 47.255 9 1HE MET 1 3HE MET 1 67.825 71.989 50.244 10 2HE MET 1 2HE MET 1 69.157 70.974 50.064 11 3HE MET 1 1HE MET 1 69.463 72.789 49.977 12 H THR 2 H THR 2 63.670 75.072 48.511 13 HA THR 2 HA THR 2 64.383 76.891 50.778 14 HB THR 2 HB THR 2 61.733 77.322 49.213 15 HG1 THR 2 1HG THR 2 63.006 78.116 47.798 16 1HG2 THR 2 1HG2 THR 2 62.202 78.218 51.755 17 2HG2 THR 2 3HG2 THR 2 63.601 79.137 51.078 18 3HG2 THR 2 2HG2 THR 2 61.905 79.528 50.619 19 H LYS 3 H LYS 3 61.643 75.272 49.142 20 HA LYS 3 HA LYS 3 61.146 73.888 51.832 21 1HB LYS 3 2HB LYS 3 59.166 75.652 50.285 22 2HB LYS 3 1HB LYS 3 58.520 74.357 51.362 23 1HG LYS 3 2HG LYS 3 60.578 75.588 52.924 24 2HG LYS 3 1HG LYS 3 59.993 76.933 51.906 25 1HD LYS 3 2HD LYS 3 57.588 76.443 52.574 26 2HD LYS 3 1HD LYS 3 58.183 75.010 53.525 27 1HE LYS 3 2HE LYS 3 59.017 76.224 55.203 28 2HE LYS 3 1HE LYS 3 59.451 77.656 54.139 29 1HZ LYS 3 1HZ LYS 3 56.841 77.810 54.014 30 2HZ LYS 3 3HZ LYS 3 56.888 76.912 55.417 31 3HZ LYS 3 2HZ LYS 3 57.582 78.467 55.307 32 H ASP 4 H ASP 4 59.033 72.537 51.630 33 HA ASP 4 HA ASP 4 59.796 70.372 49.888 34 1HB ASP 4 2HB ASP 4 58.348 70.379 52.295 35 2HB ASP 4 1HB ASP 4 57.032 70.448 51.001 36 H GLN 5 H GLN 5 56.792 69.708 49.158 37 HA GLN 5 HA GLN 5 55.776 71.942 47.647 38 1HB GLN 5 2HB GLN 5 57.873 71.492 46.285 39 2HB GLN 5 1HB GLN 5 57.508 69.698 46.256 40 1HG GLN 5 2HG GLN 5 56.280 69.943 44.503 41 2HG GLN 5 1HG GLN 5 55.113 71.087 45.449 42 1HE2 GLN 5 1HE2 GLN 5 57.996 72.577 42.936 43 2HE2 GLN 5 2HE2 GLN 5 58.066 70.935 43.592 44 H ASN 6 H ASN 6 53.858 71.499 47.241 45 HA ASN 6 HA ASN 6 52.361 69.461 48.480 46 1HB ASN 6 2HB ASN 6 51.607 70.890 45.827 47 2HB ASN 6 1HB ASN 6 50.489 70.227 47.155 48 1HD2 ASN 6 1HD2 ASN 6 50.509 73.098 48.964 49 2HD2 ASN 6 2HD2 ASN 6 49.796 71.423 48.528 50 H GLY 7 H GLY 7 52.020 67.409 48.141 51 1HA GLY 7 1HA GLY 7 51.447 66.316 45.564 52 2HA GLY 7 2HA GLY 7 53.189 66.011 45.934 53 H THR 8 H THR 8 52.206 63.986 45.511 54 HA THR 8 HA THR 8 51.319 62.512 47.950 55 HB THR 8 HB THR 8 50.189 62.430 45.133 56 HG1 THR 8 1HG THR 8 48.366 62.135 46.443 57 1HG2 THR 8 2HG2 THR 8 50.582 60.103 47.293 58 2HG2 THR 8 1HG2 THR 8 49.236 60.127 46.102 59 3HG2 THR 8 3HG2 THR 8 50.976 60.029 45.521 60 H TRP 9 H TRP 9 52.706 61.192 48.446 61 HA TRP 9 HA TRP 9 54.725 60.289 46.381 62 1HB TRP 9 2HB TRP 9 55.612 60.365 49.253 63 2HB TRP 9 1HB TRP 9 56.632 60.455 47.802 64 HD1 TRP 9 HD1 TRP 9 53.698 62.880 48.920 65 HE1 TRP 9 HE1 TRP 9 54.449 65.321 48.832 66 HE3 TRP 9 HE3 TRP 9 58.173 61.819 47.561 67 HZ2 TRP 9 HZ2 TRP 9 56.808 66.496 48.216 68 HZ3 TRP 9 HZ3 TRP 9 59.823 63.705 47.189 69 HH2 TRP 9 HH2 TRP 9 59.159 65.984 47.500 70 H GLU 10 H GLU 10 53.795 58.437 45.756 71 HA GLU 10 HA GLU 10 52.862 56.477 47.621 72 1HB GLU 10 2HB GLU 10 54.320 55.452 45.099 73 2HB GLU 10 1HB GLU 10 52.762 54.945 45.927 74 1HG GLU 10 2HG GLU 10 51.881 57.274 45.104 75 2HG GLU 10 1HG GLU 10 53.469 57.315 44.155 76 H MET 11 H MET 11 54.050 56.160 49.273 77 HA MET 11 HA MET 11 56.763 56.107 49.946 78 1HB MET 11 2HB MET 11 54.293 55.203 50.989 79 2HB MET 11 1HB MET 11 55.218 53.650 50.757 80 1HG MET 11 2HG MET 11 56.568 54.024 52.547 81 2HG MET 11 1HG MET 11 56.901 55.677 51.996 82 1HE MET 11 3HE MET 11 56.717 54.317 54.786 83 2HE MET 11 2HE MET 11 55.546 54.945 55.899 84 3HE MET 11 1HE MET 11 55.155 53.496 54.856 85 H GLU 12 H GLU 12 54.989 53.350 48.707 86 HA GLU 12 HA GLU 12 55.524 51.788 47.108 87 1HB GLU 12 2HB GLU 12 57.514 53.653 46.508 88 2HB GLU 12 1HB GLU 12 58.491 52.231 47.068 89 1HG GLU 12 2HG GLU 12 56.266 51.308 45.319 90 2HG GLU 12 1HG GLU 12 57.311 52.720 44.574 91 H SER 13 H SER 13 57.378 52.348 50.065 92 HA SER 13 HA SER 13 56.984 49.627 50.965 93 1HB SER 13 2HB SER 13 59.688 49.326 51.011 94 2HB SER 13 1HB SER 13 58.910 49.065 49.369 95 HG SER 13 HG SER 13 60.726 50.485 49.587 96 H ASN 14 H ASN 14 58.424 49.100 52.631 97 HA ASN 14 HA ASN 14 59.451 51.280 54.350 98 1HB ASN 14 2HB ASN 14 58.161 50.211 56.329 99 2HB ASN 14 1HB ASN 14 57.023 51.079 55.164 100 1HD2 ASN 14 2HD2 ASN 14 55.655 48.159 53.823 101 2HD2 ASN 14 1HD2 ASN 14 56.006 49.991 53.705 102 H GLU 15 H GLU 15 60.123 50.594 56.322 103 HA GLU 15 HA GLU 15 61.796 48.186 55.609 104 1HB GLU 15 2HB GLU 15 62.235 50.761 57.122 105 2HB GLU 15 1HB GLU 15 63.234 49.354 57.723 106 1HG GLU 15 2HG GLU 15 63.015 49.747 54.742 107 2HG GLU 15 1HG GLU 15 64.212 50.735 55.791 108 H ASN 16 H ASN 16 61.887 49.090 59.045 109 HA ASN 16 HA ASN 16 60.673 46.481 59.556 110 1HB ASN 16 2HB ASN 16 61.247 47.135 62.053 111 2HB ASN 16 1HB ASN 16 62.655 47.021 60.821 112 1HD2 ASN 16 1HD2 ASN 16 62.131 50.458 62.683 113 2HD2 ASN 16 2HD2 ASN 16 61.192 48.883 63.166 114 H PHE 17 H PHE 17 58.730 46.782 58.924 115 HA PHE 17 HA PHE 17 56.770 48.824 59.619 116 1HB PHE 17 2HB PHE 17 56.691 46.731 57.959 117 2HB PHE 17 1HB PHE 17 56.104 45.843 59.438 118 HD1 PHE 17 HD2 PHE 17 54.215 47.283 60.771 119 HD2 PHE 17 HD1 PHE 17 55.230 47.782 56.646 120 HE1 PHE 17 HE2 PHE 17 52.010 48.358 60.403 121 HE2 PHE 17 HE1 PHE 17 53.030 48.843 56.253 122 HZ PHE 17 HZ PHE 17 51.358 49.144 58.226 123 H GLU 18 H GLU 18 57.338 45.637 61.033 124 HA GLU 18 HA GLU 18 55.473 45.861 63.237 125 1HB GLU 18 2HB GLU 18 58.107 44.324 62.598 126 2HB GLU 18 1HB GLU 18 57.265 44.157 64.225 127 1HG GLU 18 2HG GLU 18 56.202 42.477 63.382 128 2HG GLU 18 1HG GLU 18 55.144 43.699 62.425 129 H GLY 19 H GLY 19 59.002 46.254 63.228 130 1HA GLY 19 1HA GLY 19 59.264 46.665 66.029 131 2HA GLY 19 2HA GLY 19 60.404 47.371 64.822 132 H TYR 20 H TYR 20 57.840 48.897 63.666 133 HA TYR 20 HA TYR 20 58.343 51.263 65.443 134 1HB TYR 20 2HB TYR 20 57.816 51.824 63.075 135 2HB TYR 20 1HB TYR 20 56.624 50.451 63.011 136 HD1 TYR 20 HD1 TYR 20 56.595 52.931 65.671 137 HD2 TYR 20 HD2 TYR 20 54.968 51.580 61.976 138 HE1 TYR 20 HE1 TYR 20 54.699 54.499 66.006 139 HE2 TYR 20 HE2 TYR 20 53.038 53.110 62.237 140 HH TYR 20 HH TYR 20 52.256 54.817 63.401 141 H MET 21 H MET 21 55.694 48.937 64.750 142 HA MET 21 HA MET 21 53.915 49.981 66.823 143 1HB MET 21 2HB MET 21 54.225 47.366 65.136 144 2HB MET 21 1HB MET 21 52.987 47.632 66.374 145 1HG MET 21 2HG MET 21 52.640 49.970 64.941 146 2HG MET 21 1HG MET 21 53.435 49.084 63.662 147 1HE MET 21 3HE MET 21 52.763 46.283 63.382 148 2HE MET 21 2HE MET 21 51.170 46.107 62.793 149 3HE MET 21 1HE MET 21 52.225 47.412 62.076 150 H LYS 22 H LYS 22 56.568 47.852 66.562 151 HA LYS 22 HA LYS 22 56.070 46.414 69.082 152 1HB LYS 22 2HB LYS 22 57.540 45.786 66.763 153 2HB LYS 22 1HB LYS 22 58.806 46.457 67.916 154 1HG LYS 22 2HG LYS 22 57.597 45.136 69.708 155 2HG LYS 22 1HG LYS 22 56.912 44.150 68.318 156 1HD LYS 22 2HD LYS 22 59.868 44.608 69.146 157 2HD LYS 22 1HD LYS 22 58.992 42.994 69.012 158 1HE LYS 22 2HE LYS 22 58.686 44.071 66.453 159 2HE LYS 22 1HE LYS 22 60.327 44.686 66.950 160 1HZ LYS 22 3HZ LYS 22 60.906 42.404 67.546 161 2HZ LYS 22 2HZ LYS 22 59.503 41.828 66.919 162 3HZ LYS 22 1HZ LYS 22 60.629 42.625 65.916 163 H ALA 23 H ALA 23 57.946 49.074 67.907 164 HA ALA 23 HA ALA 23 59.739 49.226 70.181 165 1HB ALA 23 1HB ALA 23 58.905 51.174 67.996 166 2HB ALA 23 3HB ALA 23 60.020 51.640 69.366 167 3HB ALA 23 2HB ALA 23 60.475 50.251 68.237 168 H LEU 24 H LEU 24 56.682 50.790 69.315 169 HA LEU 24 HA LEU 24 56.668 52.474 71.734 170 1HB LEU 24 2HB LEU 24 54.708 53.493 70.754 171 2HB LEU 24 1HB LEU 24 55.632 52.891 69.350 172 HG LEU 24 HG LEU 24 54.132 50.591 69.815 173 1HD1 LEU 24 1HD1 LEU 24 52.938 52.722 71.488 174 2HD1 LEU 24 3HD1 LEU 24 51.781 52.095 70.210 175 3HD1 LEU 24 2HD1 LEU 24 52.519 51.007 71.467 176 1HD2 LEU 24 1HD2 LEU 24 54.381 52.036 67.742 177 2HD2 LEU 24 3HD2 LEU 24 52.810 51.161 68.021 178 3HD2 LEU 24 2HD2 LEU 24 52.946 52.949 68.301 179 H ASP 25 H ASP 25 56.133 49.359 70.884 180 HA ASP 25 HA ASP 25 55.051 47.484 71.657 181 1HB ASP 25 2HB ASP 25 56.073 49.084 73.981 182 2HB ASP 25 1HB ASP 25 54.708 47.942 74.418 183 H ILE 26 H ILE 26 53.315 47.616 70.661 184 HA ILE 26 HA ILE 26 50.909 48.751 72.039 185 HB ILE 26 HB ILE 26 51.496 49.579 69.784 186 1HG1 ILE 26 2HG1 ILE 26 49.017 47.775 69.503 187 2HG1 ILE 26 1HG1 ILE 26 49.087 49.282 70.504 188 1HG2 ILE 26 1HG2 ILE 26 52.267 46.973 69.108 189 2HG2 ILE 26 3HG2 ILE 26 50.556 47.097 68.389 190 3HG2 ILE 26 2HG2 ILE 26 51.872 48.235 67.896 191 1HD1 ILE 26 3HD1 ILE 26 50.008 50.470 68.388 192 2HD1 ILE 26 2HD1 ILE 26 49.651 49.039 67.410 193 3HD1 ILE 26 1HD1 ILE 26 48.286 49.924 68.162 194 H ASP 27 H ASP 27 52.484 46.403 72.571 195 HA ASP 27 HA ASP 27 52.200 44.320 73.339 196 1HB ASP 27 2HB ASP 27 49.236 44.394 72.357 197 2HB ASP 27 1HB ASP 27 50.052 43.224 73.530 198 H PHE 28 H PHE 28 53.603 44.559 71.310 199 HA PHE 28 HA PHE 28 54.009 43.866 69.089 200 1HB PHE 28 2HB PHE 28 54.631 41.175 70.078 201 2HB PHE 28 1HB PHE 28 55.646 42.685 69.893 202 HD1 PHE 28 HD1 PHE 28 52.855 41.711 72.185 203 HD2 PHE 28 HD2 PHE 28 56.888 42.986 71.825 204 HE1 PHE 28 HE1 PHE 28 52.956 41.849 74.684 205 HE2 PHE 28 HE2 PHE 28 57.083 43.145 74.264 206 HZ PHE 28 HZ PHE 28 55.104 42.580 75.773 207 H ALA 29 H ALA 29 51.819 43.994 68.235 208 HA ALA 29 HA ALA 29 51.134 41.626 66.631 209 1HB ALA 29 3HB ALA 29 50.125 41.309 69.180 210 2HB ALA 29 2HB ALA 29 49.122 42.731 68.654 211 3HB ALA 29 1HB ALA 29 48.956 41.173 67.778 212 H THR 30 H THR 30 48.966 42.003 65.866 213 HA THR 30 HA THR 30 47.456 43.387 64.743 214 HB THR 30 HB THR 30 49.404 45.716 64.894 215 HG1 THR 30 1HG THR 30 48.840 46.020 66.866 216 1HG2 THR 30 2HG2 THR 30 46.519 45.132 64.269 217 2HG2 THR 30 1HG2 THR 30 46.755 46.571 65.384 218 3HG2 THR 30 3HG2 THR 30 47.607 46.534 63.742 219 H ARG 31 H ARG 31 50.701 43.077 64.171 220 HA ARG 31 HA ARG 31 50.982 43.826 61.337 221 1HB ARG 31 2HB ARG 31 53.220 43.437 61.539 222 2HB ARG 31 1HB ARG 31 52.782 43.868 63.203 223 1HG ARG 31 2HG ARG 31 52.810 40.838 62.366 224 2HG ARG 31 1HG ARG 31 54.337 41.750 62.621 225 1HD ARG 31 2HD ARG 31 53.779 41.856 65.010 226 2HD ARG 31 1HD ARG 31 51.993 41.793 64.697 227 HE ARG 31 HE ARG 31 52.054 39.561 64.742 228 1HH1 ARG 31 2HH2 ARG 31 55.295 40.940 64.087 229 2HH1 ARG 31 1HH2 ARG 31 56.158 39.384 64.173 230 1HH2 ARG 31 2HH1 ARG 31 53.158 37.534 64.842 231 2HH2 ARG 31 1HH1 ARG 31 54.884 37.330 64.602 232 H LYS 32 H LYS 32 52.406 41.823 60.233 233 HA LYS 32 HA LYS 32 52.261 39.690 59.282 234 1HB LYS 32 2HB LYS 32 51.633 39.057 61.726 235 2HB LYS 32 1HB LYS 32 49.933 39.069 61.050 236 1HG LYS 32 2HG LYS 32 50.236 36.931 60.288 237 2HG LYS 32 1HG LYS 32 51.484 37.513 59.186 238 1HD LYS 32 2HD LYS 32 52.996 36.232 60.431 239 2HD LYS 32 1HD LYS 32 52.927 37.610 61.529 240 1HE LYS 32 2HE LYS 32 51.936 36.303 63.218 241 2HE LYS 32 1HE LYS 32 50.554 35.979 62.057 242 1HZ LYS 32 2HZ LYS 32 51.960 34.272 61.042 243 2HZ LYS 32 1HZ LYS 32 53.069 34.392 62.265 244 3HZ LYS 32 3HZ LYS 32 51.519 33.978 62.638 245 H ILE 33 H ILE 33 50.564 42.173 58.768 246 HA ILE 33 HA ILE 33 49.202 40.864 56.591 247 HB ILE 33 HB ILE 33 46.921 42.113 57.877 248 1HG1 ILE 33 2HG1 ILE 33 48.013 39.947 59.750 249 2HG1 ILE 33 1HG1 ILE 33 48.433 41.722 59.994 250 1HG2 ILE 33 3HG2 ILE 33 47.668 39.122 57.289 251 2HG2 ILE 33 2HG2 ILE 33 46.102 39.691 58.015 252 3HG2 ILE 33 1HG2 ILE 33 46.603 40.229 56.375 253 1HD1 ILE 33 2HD1 ILE 33 46.040 42.241 59.877 254 2HD1 ILE 33 1HD1 ILE 33 45.605 40.450 59.790 255 3HD1 ILE 33 3HD1 ILE 33 46.435 41.077 61.260 256 H ALA 34 H ALA 34 49.255 43.873 58.648 257 HA ALA 34 HA ALA 34 48.120 45.560 56.586 258 1HB ALA 34 2HB ALA 34 48.326 46.159 59.099 259 2HB ALA 34 1HB ALA 34 50.094 46.461 58.774 260 3HB ALA 34 3HB ALA 34 48.846 47.441 57.968 261 H VAL 35 H VAL 35 51.029 44.033 57.094 262 HA VAL 35 HA VAL 35 53.283 45.149 56.586 263 HB VAL 35 HB VAL 35 52.616 43.486 54.148 264 1HG1 VAL 35 1HG1 VAL 35 54.945 44.256 54.994 265 2HG1 VAL 35 3HG1 VAL 35 54.727 43.142 56.372 266 3HG1 VAL 35 2HG1 VAL 35 54.786 42.461 54.705 267 1HG2 VAL 35 3HG2 VAL 35 52.294 42.540 57.043 268 2HG2 VAL 35 2HG2 VAL 35 51.191 42.274 55.628 269 3HG2 VAL 35 1HG2 VAL 35 52.773 41.360 55.736 270 H ARG 36 H ARG 36 50.957 45.032 54.060 271 HA ARG 36 HA ARG 36 51.603 47.609 52.855 272 1HB ARG 36 2HB ARG 36 53.632 46.449 52.142 273 2HB ARG 36 1HB ARG 36 52.576 45.046 51.524 274 1HG ARG 36 2HG ARG 36 53.222 46.238 49.553 275 2HG ARG 36 1HG ARG 36 51.509 46.716 49.847 276 1HD ARG 36 2HD ARG 36 52.275 48.769 51.089 277 2HD ARG 36 1HD ARG 36 53.984 48.343 50.844 278 HE ARG 36 HE ARG 36 52.116 49.441 48.879 279 1HH1 ARG 36 1HH2 ARG 36 55.046 47.358 49.131 280 2HH1 ARG 36 2HH2 ARG 36 55.578 47.640 47.476 281 1HH2 ARG 36 2HH1 ARG 36 52.829 49.795 46.763 282 2HH2 ARG 36 1HH1 ARG 36 54.287 49.043 46.155 283 H LEU 37 H LEU 37 50.453 48.336 51.493 284 HA LEU 37 HA LEU 37 49.023 47.063 49.485 285 1HB LEU 37 2HB LEU 37 46.722 46.924 50.211 286 2HB LEU 37 1HB LEU 37 47.694 46.222 51.591 287 HG LEU 37 HG LEU 37 47.706 48.347 52.767 288 1HD1 LEU 37 1HD1 LEU 37 46.393 49.445 50.281 289 2HD1 LEU 37 3HD1 LEU 37 45.352 49.692 51.716 290 3HD1 LEU 37 2HD1 LEU 37 47.060 50.275 51.771 291 1HD2 LEU 37 3HD2 LEU 37 45.932 46.355 52.710 292 2HD2 LEU 37 2HD2 LEU 37 45.406 47.901 53.587 293 3HD2 LEU 37 1HD2 LEU 37 44.820 47.555 51.931 294 H THR 38 H THR 38 47.923 48.431 48.209 295 HA THR 38 HA THR 38 48.603 50.452 47.044 296 HB THR 38 HB THR 38 46.065 50.740 48.784 297 HG1 THR 38 1HG THR 38 45.177 49.420 47.183 298 1HG2 THR 38 2HG2 THR 38 46.689 52.584 46.824 299 2HG2 THR 38 1HG2 THR 38 46.408 51.216 45.737 300 3HG2 THR 38 3HG2 THR 38 45.029 51.802 46.791 301 H GLN 39 H GLN 39 50.473 50.904 48.882 302 HA GLN 39 HA GLN 39 49.676 52.957 50.691 303 1HB GLN 39 2HB GLN 39 51.510 51.266 51.008 304 2HB GLN 39 1HB GLN 39 52.445 52.158 49.686 305 1HG GLN 39 2HG GLN 39 53.279 53.485 51.345 306 2HG GLN 39 1HG GLN 39 51.562 54.138 51.518 307 1HE2 GLN 39 1HE2 GLN 39 50.950 52.913 54.601 308 2HE2 GLN 39 2HE2 GLN 39 50.698 54.120 53.291 309 H THR 40 H THR 40 49.947 54.903 50.808 310 HA THR 40 HA THR 40 51.246 56.647 48.822 311 HB THR 40 HB THR 40 48.259 56.575 49.335 312 HG1 THR 40 1HG THR 40 49.108 55.760 47.356 313 1HG2 THR 40 3HG2 THR 40 50.006 59.057 49.022 314 2HG2 THR 40 2HG2 THR 40 48.494 58.965 47.970 315 3HG2 THR 40 1HG2 THR 40 48.418 58.848 49.770 316 H LYS 41 H LYS 41 52.243 58.135 49.707 317 HA LYS 41 HA LYS 41 51.214 59.058 52.440 318 1HB LYS 41 2HB LYS 41 53.648 58.404 52.759 319 2HB LYS 41 1HB LYS 41 54.008 58.993 51.065 320 1HG LYS 41 2HG LYS 41 53.116 60.928 53.259 321 2HG LYS 41 1HG LYS 41 54.787 60.287 53.248 322 1HD LYS 41 2HD LYS 41 55.121 61.197 50.880 323 2HD LYS 41 1HD LYS 41 53.468 61.967 50.956 324 1HE LYS 41 2HE LYS 41 55.457 63.423 51.542 325 2HE LYS 41 1HE LYS 41 54.023 63.338 52.662 326 1HZ LYS 41 2HZ LYS 41 56.279 61.519 53.032 327 2HZ LYS 41 1HZ LYS 41 56.516 63.146 53.523 328 3HZ LYS 41 3HZ LYS 41 55.294 62.224 54.185 329 H ILE 42 H ILE 42 51.287 61.399 52.748 330 HA ILE 42 HA ILE 42 51.497 62.949 50.166 331 HB ILE 42 HB ILE 42 48.906 62.870 51.919 332 1HG1 ILE 42 2HG1 ILE 42 49.444 61.826 49.084 333 2HG1 ILE 42 1HG1 ILE 42 49.282 60.831 50.616 334 1HG2 ILE 42 2HG2 ILE 42 49.490 64.403 49.318 335 2HG2 ILE 42 1HG2 ILE 42 47.904 64.270 50.150 336 3HG2 ILE 42 3HG2 ILE 42 49.191 65.070 51.016 337 1HD1 ILE 42 3HD1 ILE 42 47.051 62.099 51.047 338 2HD1 ILE 42 2HD1 ILE 42 47.157 62.676 49.364 339 3HD1 ILE 42 1HD1 ILE 42 46.975 60.883 49.683 340 H ILE 43 H ILE 43 51.338 65.062 50.257 341 HA ILE 43 HA ILE 43 51.702 66.347 53.012 342 HB ILE 43 HB ILE 43 53.809 65.476 51.740 343 1HG1 ILE 43 2HG1 ILE 43 53.202 68.135 53.058 344 2HG1 ILE 43 1HG1 ILE 43 54.319 66.798 53.564 345 1HG2 ILE 43 1HG2 ILE 43 53.038 66.513 49.534 346 2HG2 ILE 43 3HG2 ILE 43 53.449 68.166 50.230 347 3HG2 ILE 43 2HG2 ILE 43 54.752 66.879 49.990 348 1HD1 ILE 43 2HD1 ILE 43 55.791 67.631 51.444 349 2HD1 ILE 43 1HD1 ILE 43 54.632 69.079 51.601 350 3HD1 ILE 43 3HD1 ILE 43 55.810 68.653 52.884 351 H VAL 44 H VAL 44 50.727 68.174 53.093 352 HA VAL 44 HA VAL 44 49.544 69.246 50.484 353 HB VAL 44 HB VAL 44 48.504 68.838 53.249 354 1HG1 VAL 44 1HG1 VAL 44 47.731 71.194 51.459 355 2HG1 VAL 44 3HG1 VAL 44 46.603 70.402 52.682 356 3HG1 VAL 44 2HG1 VAL 44 48.180 71.090 53.263 357 1HG2 VAL 44 2HG2 VAL 44 47.687 68.406 50.362 358 2HG2 VAL 44 1HG2 VAL 44 47.390 67.319 51.783 359 3HG2 VAL 44 3HG2 VAL 44 46.289 68.710 51.513 360 H GLN 45 H GLN 45 51.051 70.220 53.632 361 HA GLN 45 HA GLN 45 51.186 72.358 54.490 362 1HB GLN 45 2HB GLN 45 53.193 73.441 52.966 363 2HB GLN 45 1HB GLN 45 53.542 71.971 54.010 364 1HG GLN 45 2HG GLN 45 53.557 70.563 52.163 365 2HG GLN 45 1HG GLN 45 52.377 71.678 51.282 366 1HE2 GLN 45 1HE2 GLN 45 55.113 72.850 49.409 367 2HE2 GLN 45 2HE2 GLN 45 53.395 72.106 49.552 368 H ASP 46 H ASP 46 49.149 73.083 54.034 369 HA ASP 46 HA ASP 46 48.883 74.770 51.719 370 1HB ASP 46 2HB ASP 46 46.745 74.639 52.442 371 2HB ASP 46 1HB ASP 46 47.339 73.821 54.001 372 H GLY 47 H GLY 47 50.393 75.046 54.684 373 1HA GLY 47 1HA GLY 47 52.020 77.223 54.340 374 2HA GLY 47 2HA GLY 47 50.463 78.004 54.904 375 H ASP 48 H ASP 48 49.803 77.964 56.864 376 HA ASP 48 HA ASP 48 51.971 77.263 58.802 377 1HB ASP 48 2HB ASP 48 50.277 78.115 60.582 378 2HB ASP 48 1HB ASP 48 50.633 79.365 59.208 379 H ASN 49 H ASN 49 49.003 76.120 57.686 380 HA ASN 49 HA ASN 49 48.628 73.874 59.641 381 1HB ASN 49 2HB ASN 49 46.849 75.403 57.709 382 2HB ASN 49 1HB ASN 49 46.792 73.534 57.614 383 1HD2 ASN 49 1HD2 ASN 49 45.770 75.498 61.069 384 2HD2 ASN 49 2HD2 ASN 49 47.202 76.068 59.953 385 H PHE 50 H PHE 50 50.144 72.465 59.255 386 HA PHE 50 HA PHE 50 50.654 71.431 56.499 387 1HB PHE 50 2HB PHE 50 52.554 72.212 57.914 388 2HB PHE 50 1HB PHE 50 52.076 71.090 59.227 389 HD1 PHE 50 HD2 PHE 50 52.914 71.222 55.643 390 HD2 PHE 50 HD1 PHE 50 52.634 68.811 59.177 391 HE1 PHE 50 HE2 PHE 50 53.995 69.393 54.375 392 HE2 PHE 50 HE1 PHE 50 53.747 66.889 57.919 393 HZ PHE 50 HZ PHE 50 54.373 67.276 55.566 394 H LYS 51 H LYS 51 49.244 69.903 55.924 395 HA LYS 51 HA LYS 51 49.086 67.782 58.036 396 1HB LYS 51 2HB LYS 51 46.795 68.590 56.170 397 2HB LYS 51 1HB LYS 51 46.784 67.226 57.366 398 1HG LYS 51 2HG LYS 51 46.878 68.851 59.279 399 2HG LYS 51 1HG LYS 51 47.527 70.128 58.207 400 1HD LYS 51 2HD LYS 51 45.328 69.743 56.878 401 2HD LYS 51 1HD LYS 51 44.710 68.834 58.319 402 1HE LYS 51 2HE LYS 51 45.963 71.631 58.339 403 2HE LYS 51 1HE LYS 51 44.126 71.363 58.380 404 1HZ LYS 51 1HZ LYS 51 46.204 70.526 60.417 405 2HZ LYS 51 3HZ LYS 51 45.155 71.822 60.541 406 3HZ LYS 51 2HZ LYS 51 44.592 70.215 60.548 407 H THR 52 H THR 52 50.788 66.688 57.132 408 HA THR 52 HA THR 52 50.535 65.558 54.387 409 HB THR 52 HB THR 52 52.378 65.370 56.769 410 HG1 THR 52 1HG THR 52 52.616 66.149 54.655 411 1HG2 THR 52 3HG2 THR 52 51.322 62.903 56.735 412 2HG2 THR 52 2HG2 THR 52 52.048 62.702 55.149 413 3HG2 THR 52 1HG2 THR 52 53.128 63.065 56.544 414 H LYS 53 H LYS 53 49.813 63.459 53.761 415 HA LYS 53 HA LYS 53 48.333 62.055 56.014 416 1HB LYS 53 2HB LYS 53 46.313 62.883 55.378 417 2HB LYS 53 1HB LYS 53 47.114 63.875 54.074 418 1HG LYS 53 2HG LYS 53 46.981 61.503 52.782 419 2HG LYS 53 1HG LYS 53 45.633 61.205 53.950 420 1HD LYS 53 2HD LYS 53 45.778 63.925 52.606 421 2HD LYS 53 1HD LYS 53 45.234 62.472 51.654 422 1HE LYS 53 2HE LYS 53 43.190 62.666 52.648 423 2HE LYS 53 1HE LYS 53 43.976 62.102 54.173 424 1HZ LYS 53 1HZ LYS 53 44.499 64.515 54.619 425 2HZ LYS 53 3HZ LYS 53 43.542 64.912 53.293 426 3HZ LYS 53 2HZ LYS 53 42.848 64.197 54.598 427 H THR 54 H THR 54 47.395 60.103 55.409 428 HA THR 54 HA THR 54 48.731 58.850 53.069 429 HB THR 54 HB THR 54 50.114 58.242 55.079 430 HG1 THR 54 1HG THR 54 49.156 55.825 54.460 431 1HG2 THR 54 3HG2 THR 54 47.612 57.753 56.466 432 2HG2 THR 54 2HG2 THR 54 48.268 56.141 56.136 433 3HG2 THR 54 1HG2 THR 54 49.310 57.358 56.970 434 H ASN 55 H ASN 55 47.745 57.456 51.970 435 HA ASN 55 HA ASN 55 44.846 56.989 52.741 436 1HB ASN 55 2HB ASN 55 45.394 58.743 51.050 437 2HB ASN 55 1HB ASN 55 45.793 57.340 49.890 438 1HD2 ASN 55 2HD2 ASN 55 41.940 58.219 51.200 439 2HD2 ASN 55 1HD2 ASN 55 43.530 58.935 51.918 440 H SER 56 H SER 56 46.454 55.314 53.591 441 HA SER 56 HA SER 56 46.449 52.790 51.902 442 1HB SER 56 2HB SER 56 48.004 53.798 54.321 443 2HB SER 56 1HB SER 56 47.565 51.993 54.246 444 HG SER 56 HG SER 56 49.102 53.437 52.436 445 H THR 57 H THR 57 44.771 51.738 51.953 446 HA THR 57 HA THR 57 42.477 52.146 53.479 447 HB THR 57 HB THR 57 41.576 50.129 52.857 448 HG1 THR 57 1HG THR 57 42.992 48.629 53.556 449 1HG2 THR 57 3HG2 THR 57 42.474 51.669 50.904 450 2HG2 THR 57 2HG2 THR 57 43.772 50.503 50.617 451 3HG2 THR 57 1HG2 THR 57 42.038 49.914 50.508 452 H PHE 58 H PHE 58 45.201 50.119 53.994 453 HA PHE 58 HA PHE 58 44.353 48.757 56.386 454 1HB PHE 58 2HB PHE 58 47.256 49.542 55.623 455 2HB PHE 58 1HB PHE 58 46.855 48.869 57.254 456 HD1 PHE 58 HD1 PHE 58 44.699 46.842 56.473 457 HD2 PHE 58 HD2 PHE 58 48.424 47.930 54.621 458 HE1 PHE 58 HE1 PHE 58 44.921 44.576 55.452 459 HE2 PHE 58 HE2 PHE 58 48.636 45.716 53.641 460 HZ PHE 58 HZ PHE 58 46.896 44.011 54.033 461 H ARG 59 H ARG 59 46.609 51.490 56.364 462 HA ARG 59 HA ARG 59 45.003 52.555 58.729 463 1HB ARG 59 2HB ARG 59 48.082 52.477 58.654 464 2HB ARG 59 1HB ARG 59 47.046 53.399 59.818 465 1HG ARG 59 2HG ARG 59 46.185 50.507 59.549 466 2HG ARG 59 1HG ARG 59 47.931 50.729 59.986 467 1HD ARG 59 2HD ARG 59 46.972 52.393 61.873 468 2HD ARG 59 1HD ARG 59 45.397 51.703 61.386 469 HE ARG 59 HE ARG 59 47.265 49.549 61.743 470 1HH1 ARG 59 1HH2 ARG 59 45.431 52.120 63.502 471 2HH1 ARG 59 2HH2 ARG 59 45.308 51.192 64.972 472 1HH2 ARG 59 1HH1 ARG 59 46.973 48.326 64.001 473 2HH2 ARG 59 2HH1 ARG 59 46.104 49.233 65.213 474 H ASN 60 H ASN 60 44.497 54.378 58.871 475 HA ASN 60 HA ASN 60 45.764 56.557 57.192 476 1HB ASN 60 2HB ASN 60 42.713 55.983 57.566 477 2HB ASN 60 1HB ASN 60 43.488 57.325 56.515 478 1HD2 ASN 60 2HD2 ASN 60 43.026 53.356 55.445 479 2HD2 ASN 60 1HD2 ASN 60 42.830 53.927 57.082 480 H TYR 61 H TYR 61 46.804 57.029 59.100 481 HA TYR 61 HA TYR 61 44.952 57.961 61.250 482 1HB TYR 61 2HB TYR 61 47.178 56.446 61.357 483 2HB TYR 61 1HB TYR 61 48.039 58.059 61.430 484 HD1 TYR 61 HD1 TYR 61 45.469 55.832 63.071 485 HD2 TYR 61 HD2 TYR 61 47.838 59.404 63.466 486 HE1 TYR 61 HE1 TYR 61 44.814 55.965 65.416 487 HE2 TYR 61 HE2 TYR 61 47.189 59.526 65.819 488 HH TYR 61 HH TYR 61 45.209 56.935 67.286 489 H ASP 62 H ASP 62 47.436 58.873 59.034 490 HA ASP 62 HA ASP 62 48.099 60.820 57.979 491 1HB ASP 62 2HB ASP 62 45.778 62.367 59.166 492 2HB ASP 62 1HB ASP 62 46.491 62.173 57.395 493 H LEU 63 H LEU 63 49.110 62.616 58.090 494 HA LEU 63 HA LEU 63 50.142 63.497 60.772 495 1HB LEU 63 2HB LEU 63 51.541 62.643 58.610 496 2HB LEU 63 1HB LEU 63 51.385 64.366 58.116 497 HG LEU 63 HG LEU 63 52.200 64.966 60.526 498 1HD1 LEU 63 1HD1 LEU 63 52.042 61.973 60.561 499 2HD1 LEU 63 3HD1 LEU 63 53.609 62.594 61.224 500 3HD1 LEU 63 2HD1 LEU 63 52.033 63.142 61.938 501 1HD2 LEU 63 2HD2 LEU 63 53.706 63.621 58.307 502 2HD2 LEU 63 1HD2 LEU 63 53.986 65.263 59.040 503 3HD2 LEU 63 3HD2 LEU 63 54.585 63.736 59.900 504 H ASP 64 H ASP 64 48.085 64.564 61.133 505 HA ASP 64 HA ASP 64 48.038 67.182 59.567 506 1HB ASP 64 2HB ASP 64 46.115 65.377 61.134 507 2HB ASP 64 1HB ASP 64 45.651 67.167 60.790 508 H PHE 65 H PHE 65 49.457 68.394 60.478 509 HA PHE 65 HA PHE 65 48.952 69.214 63.346 510 1HB PHE 65 2HB PHE 65 51.702 69.366 61.899 511 2HB PHE 65 1HB PHE 65 51.287 69.640 63.623 512 HD1 PHE 65 HD2 PHE 65 49.713 67.751 64.563 513 HD2 PHE 65 HD1 PHE 65 52.902 67.338 61.601 514 HE1 PHE 65 HE2 PHE 65 50.084 65.410 65.245 515 HE2 PHE 65 HE1 PHE 65 53.241 65.074 62.261 516 HZ PHE 65 HZ PHE 65 51.889 64.024 64.066 517 H THR 66 H THR 66 50.345 71.327 63.473 518 HA THR 66 HA THR 66 49.927 73.232 61.228 519 HB THR 66 HB THR 66 48.888 73.094 64.075 520 HG1 THR 66 1HG THR 66 47.420 72.899 62.709 521 1HG2 THR 66 2HG2 THR 66 50.322 75.506 62.999 522 2HG2 THR 66 1HG2 THR 66 48.544 75.883 63.033 523 3HG2 THR 66 3HG2 THR 66 49.450 75.416 64.545 524 H VAL 67 H VAL 67 51.959 73.868 60.752 525 HA VAL 67 HA VAL 67 54.212 73.084 62.210 526 HB VAL 67 HB VAL 67 53.991 74.051 59.931 527 1HG1 VAL 67 2HG1 VAL 67 53.087 76.315 61.082 528 2HG1 VAL 67 1HG1 VAL 67 54.902 76.666 61.125 529 3HG1 VAL 67 3HG1 VAL 67 54.015 76.329 59.517 530 1HG2 VAL 67 3HG2 VAL 67 56.049 74.016 61.901 531 2HG2 VAL 67 2HG2 VAL 67 56.267 73.795 60.102 532 3HG2 VAL 67 1HG2 VAL 67 56.378 75.472 60.865 533 H GLY 68 H GLY 68 55.100 73.391 63.952 534 1HA GLY 68 1HA GLY 68 55.722 74.317 65.935 535 2HA GLY 68 2HA GLY 68 55.569 75.977 65.074 536 H VAL 69 H VAL 69 53.251 73.442 66.374 537 HA VAL 69 HA VAL 69 52.037 75.764 67.878 538 HB VAL 69 HB VAL 69 50.950 74.241 65.776 539 1HG1 VAL 69 2HG1 VAL 69 51.470 72.125 67.132 540 2HG1 VAL 69 1HG1 VAL 69 49.973 72.486 68.044 541 3HG1 VAL 69 3HG1 VAL 69 49.957 72.363 66.196 542 1HG2 VAL 69 2HG2 VAL 69 49.606 75.092 68.431 543 2HG2 VAL 69 1HG2 VAL 69 49.595 76.020 66.932 544 3HG2 VAL 69 3HG2 VAL 69 48.599 74.489 66.981 545 H GLU 70 H GLU 70 54.081 73.336 68.154 546 HA GLU 70 HA GLU 70 54.466 71.700 69.799 547 1HB GLU 70 2HB GLU 70 54.341 74.119 71.111 548 2HB GLU 70 1HB GLU 70 52.878 73.220 71.856 549 1HG GLU 70 2HG GLU 70 54.467 71.261 72.043 550 2HG GLU 70 1HG GLU 70 55.808 72.586 72.114 551 H PHE 71 H PHE 71 53.335 70.548 68.523 552 HA PHE 71 HA PHE 71 50.523 70.088 69.011 553 1HB PHE 71 2HB PHE 71 51.749 69.304 66.961 554 2HB PHE 71 1HB PHE 71 52.191 67.789 67.841 555 HD1 PHE 71 HD2 PHE 71 49.536 69.860 66.362 556 HD2 PHE 71 HD1 PHE 71 50.312 66.274 68.455 557 HE1 PHE 71 HE2 PHE 71 47.260 69.078 65.787 558 HE2 PHE 71 HE1 PHE 71 48.074 65.443 67.932 559 HZ PHE 71 HZ PHE 71 46.487 66.813 66.584 560 H ASP 72 H ASP 72 50.293 70.011 71.220 561 HA ASP 72 HA ASP 72 51.417 67.918 72.838 562 1HB ASP 72 2HB ASP 72 48.674 69.397 72.997 563 2HB ASP 72 1HB ASP 72 49.487 68.635 74.471 564 H GLU 73 H GLU 73 51.227 66.109 71.570 565 HA GLU 73 HA GLU 73 48.758 64.917 70.529 566 1HB GLU 73 2HB GLU 73 51.006 64.568 69.542 567 2HB GLU 73 1HB GLU 73 51.632 63.863 71.061 568 1HG GLU 73 2HG GLU 73 50.314 61.962 70.895 569 2HG GLU 73 1HG GLU 73 49.173 62.727 69.586 570 H HIS 74 H HIS 74 47.759 63.342 71.172 571 HA HIS 74 HA HIS 74 48.167 62.287 73.935 572 1HB HIS 74 2HB HIS 74 45.792 63.935 73.039 573 2HB HIS 74 1HB HIS 74 45.476 62.443 74.058 574 HD1 HIS 74 HD1 HIS 74 48.237 65.132 74.380 575 HD2 HIS 74 HD2 HIS 74 45.379 62.905 76.507 576 HE1 HIS 74 HE1 HIS 74 48.491 65.777 76.883 577 HE2 HIS 74 HE2 HIS 74 46.762 64.430 78.150 578 H THR 75 H THR 75 48.945 60.938 72.164 579 HA THR 75 HA THR 75 47.811 59.370 70.342 580 HB THR 75 HB THR 75 49.168 57.374 71.194 581 HG1 THR 75 1HG THR 75 50.585 58.190 72.947 582 1HG2 THR 75 1HG2 THR 75 49.911 60.125 70.383 583 2HG2 THR 75 3HG2 THR 75 51.203 59.659 71.592 584 3HG2 THR 75 2HG2 THR 75 50.948 58.640 70.115 585 H LYS 76 H LYS 76 46.812 57.530 70.084 586 HA LYS 76 HA LYS 76 45.892 55.615 72.003 587 1HB LYS 76 2HB LYS 76 43.425 56.287 72.209 588 2HB LYS 76 1HB LYS 76 44.556 57.490 72.955 589 1HG LYS 76 2HG LYS 76 44.558 58.506 70.391 590 2HG LYS 76 1HG LYS 76 42.893 57.779 70.479 591 1HD LYS 76 2HD LYS 76 43.678 59.229 72.911 592 2HD LYS 76 1HD LYS 76 43.751 60.298 71.433 593 1HE LYS 76 2HE LYS 76 41.363 60.184 71.176 594 2HE LYS 76 1HE LYS 76 41.328 58.470 71.706 595 1HZ LYS 76 2HZ LYS 76 41.826 60.516 73.748 596 2HZ LYS 76 1HZ LYS 76 40.284 60.126 73.215 597 3HZ LYS 76 3HZ LYS 76 41.278 58.956 73.872 598 H GLY 77 H GLY 77 44.871 54.021 71.229 599 1HA GLY 77 1HA GLY 77 43.548 52.784 69.600 600 2HA GLY 77 2HA GLY 77 43.802 54.113 68.422 601 H LEU 78 H LEU 78 46.536 53.873 70.080 602 HA LEU 78 HA LEU 78 47.871 51.777 68.446 603 1HB LEU 78 2HB LEU 78 47.964 53.980 67.157 604 2HB LEU 78 1HB LEU 78 48.777 54.708 68.641 605 HG LEU 78 HG LEU 78 50.496 52.707 68.287 606 1HD1 LEU 78 1HD1 LEU 78 49.097 51.724 66.314 607 2HD1 LEU 78 3HD1 LEU 78 49.721 53.102 65.345 608 3HD1 LEU 78 2HD1 LEU 78 50.897 51.986 66.105 609 1HD2 LEU 78 2HD2 LEU 78 50.732 55.381 67.904 610 2HD2 LEU 78 1HD2 LEU 78 51.963 54.213 67.196 611 3HD2 LEU 78 3HD2 LEU 78 50.684 54.932 66.169 612 H ASP 79 H ASP 79 48.699 54.607 70.602 613 HA ASP 79 HA ASP 79 50.684 52.742 71.892 614 1HB ASP 79 2HB ASP 79 51.612 54.638 70.737 615 2HB ASP 79 1HB ASP 79 50.517 55.805 71.698 616 H GLY 80 H GLY 80 48.834 55.675 72.692 617 1HA GLY 80 1HA GLY 80 47.422 56.199 74.394 618 2HA GLY 80 2HA GLY 80 47.603 54.545 75.174 619 H ARG 81 H ARG 81 49.135 57.424 74.163 620 HA ARG 81 HA ARG 81 50.383 58.144 76.795 621 1HB ARG 81 2HB ARG 81 51.940 56.629 75.224 622 2HB ARG 81 1HB ARG 81 52.170 58.148 74.278 623 1HG ARG 81 2HG ARG 81 53.940 57.844 76.056 624 2HG ARG 81 1HG ARG 81 52.990 59.328 76.339 625 1HD ARG 81 2HD ARG 81 51.834 58.286 78.182 626 2HD ARG 81 1HD ARG 81 52.264 56.588 77.598 627 HE ARG 81 HE ARG 81 54.451 58.457 78.369 628 1HH1 ARG 81 2HH2 ARG 81 52.345 55.682 79.277 629 2HH1 ARG 81 1HH2 ARG 81 53.429 55.172 80.565 630 1HH2 ARG 81 2HH1 ARG 81 55.842 57.683 80.161 631 2HH2 ARG 81 1HH1 ARG 81 55.394 56.285 81.076 632 H ASN 82 H ASN 82 52.144 60.061 74.796 633 HA ASN 82 HA ASN 82 50.019 61.666 73.822 634 1HB ASN 82 2HB ASN 82 50.745 63.716 75.530 635 2HB ASN 82 1HB ASN 82 49.451 62.467 76.076 636 1HD2 ASN 82 1HD2 ASN 82 52.486 63.107 78.374 637 2HD2 ASN 82 2HD2 ASN 82 51.773 64.201 77.200 638 H VAL 83 H VAL 83 52.741 63.311 75.361 639 HA VAL 83 HA VAL 83 54.838 63.812 74.547 640 HB VAL 83 HB VAL 83 54.047 62.668 71.839 641 1HG1 VAL 83 1HG1 VAL 83 55.963 64.299 71.770 642 2HG1 VAL 83 3HG1 VAL 83 56.774 63.245 73.005 643 3HG1 VAL 83 2HG1 VAL 83 56.412 62.594 71.358 644 1HG2 VAL 83 3HG2 VAL 83 54.614 61.486 74.501 645 2HG2 VAL 83 2HG2 VAL 83 54.479 60.624 72.889 646 3HG2 VAL 83 1HG2 VAL 83 56.076 61.209 73.403 647 H LYS 84 H LYS 84 55.831 65.278 73.730 648 HA LYS 84 HA LYS 84 54.312 67.675 72.826 649 1HB LYS 84 2HB LYS 84 56.848 67.062 74.267 650 2HB LYS 84 1HB LYS 84 57.009 68.427 73.045 651 1HG LYS 84 2HG LYS 84 56.248 69.358 75.174 652 2HG LYS 84 1HG LYS 84 54.914 69.470 73.861 653 1HD LYS 84 2HD LYS 84 53.771 68.762 75.792 654 2HD LYS 84 1HD LYS 84 53.937 67.296 74.797 655 1HE LYS 84 2HE LYS 84 56.401 67.199 76.246 656 2HE LYS 84 1HE LYS 84 55.230 67.877 77.462 657 1HZ LYS 84 3HZ LYS 84 53.682 66.081 76.771 658 2HZ LYS 84 2HZ LYS 84 54.979 65.291 76.055 659 3HZ LYS 84 1HZ LYS 84 54.952 65.657 77.702 660 H THR 85 H THR 85 53.844 67.056 70.736 661 HA THR 85 HA THR 85 56.166 66.495 68.843 662 HB THR 85 HB THR 85 53.114 66.301 68.765 663 HG1 THR 85 1HG THR 85 53.561 64.280 69.217 664 1HG2 THR 85 1HG2 THR 85 55.494 65.330 66.994 665 2HG2 THR 85 3HG2 THR 85 53.821 64.639 66.764 666 3HG2 THR 85 2HG2 THR 85 54.182 66.407 66.397 667 H LEU 86 H LEU 86 57.081 68.292 69.071 668 HA LEU 86 HA LEU 86 55.754 70.729 68.120 669 1HB LEU 86 2HB LEU 86 57.425 70.784 70.017 670 2HB LEU 86 1HB LEU 86 58.709 70.224 68.868 671 HG LEU 86 HG LEU 86 57.790 72.463 67.533 672 1HD1 LEU 86 2HD1 LEU 86 57.348 72.657 70.543 673 2HD1 LEU 86 1HD1 LEU 86 57.863 74.143 69.640 674 3HD1 LEU 86 3HD1 LEU 86 56.302 73.281 69.192 675 1HD2 LEU 86 1HD2 LEU 86 59.990 71.851 69.630 676 2HD2 LEU 86 3HD2 LEU 86 60.187 72.433 67.950 677 3HD2 LEU 86 2HD2 LEU 86 59.632 73.622 69.198 678 H VAL 87 H VAL 87 55.327 70.566 66.039 679 HA VAL 87 HA VAL 87 57.166 69.696 64.014 680 HB VAL 87 HB VAL 87 54.544 71.400 63.903 681 1HG1 VAL 87 1HG1 VAL 87 56.141 71.231 61.802 682 2HG1 VAL 87 3HG1 VAL 87 55.492 69.538 61.672 683 3HG1 VAL 87 2HG1 VAL 87 54.392 71.011 61.619 684 1HG2 VAL 87 3HG2 VAL 87 54.341 68.975 64.997 685 2HG2 VAL 87 2HG2 VAL 87 53.331 69.293 63.542 686 3HG2 VAL 87 1HG2 VAL 87 54.910 68.362 63.406 687 H THR 88 H THR 88 58.281 70.872 62.585 688 HA THR 88 HA THR 88 58.127 73.754 62.516 689 HB THR 88 HB THR 88 59.325 73.430 64.657 690 HG1 THR 88 1HG THR 88 61.440 74.393 63.883 691 1HG2 THR 88 1HG2 THR 88 60.352 71.175 63.786 692 2HG2 THR 88 3HG2 THR 88 61.635 72.202 62.979 693 3HG2 THR 88 2HG2 THR 88 61.457 72.107 64.820 694 H TRP 89 H TRP 89 60.055 74.604 61.283 695 HA TRP 89 HA TRP 89 60.590 72.934 58.843 696 1HB TRP 89 2HB TRP 89 60.527 75.927 59.590 697 2HB TRP 89 1HB TRP 89 61.347 75.401 58.068 698 HD1 TRP 89 HD1 TRP 89 57.843 76.315 59.177 699 HE1 TRP 89 HE1 TRP 89 56.241 75.166 57.702 700 HE3 TRP 89 HE3 TRP 89 61.113 73.171 56.994 701 HZ2 TRP 89 HZ2 TRP 89 56.384 72.897 55.661 702 HZ3 TRP 89 HZ3 TRP 89 60.401 71.528 55.354 703 HH2 TRP 89 HH2 TRP 89 58.096 71.456 54.791 704 H GLU 90 H GLU 90 62.717 72.346 58.220 705 HA GLU 90 HA GLU 90 64.616 73.138 60.393 706 1HB GLU 90 2HB GLU 90 64.129 70.812 58.838 707 2HB GLU 90 1HB GLU 90 65.699 71.482 58.200 708 1HG GLU 90 2HG GLU 90 65.233 70.991 61.237 709 2HG GLU 90 1HG GLU 90 65.949 69.731 60.040 710 H GLY 91 H GLY 91 63.527 74.031 57.454 711 1HA GLY 91 1HA GLY 91 64.473 76.262 56.848 712 2HA GLY 91 2HA GLY 91 66.081 75.362 56.494 713 H ASN 92 H ASN 92 65.005 73.074 55.984 714 HA ASN 92 HA ASN 92 63.192 73.138 53.601 715 1HB ASN 92 2HB ASN 92 65.231 71.754 52.378 716 2HB ASN 92 1HB ASN 92 65.139 73.598 52.261 717 1HD2 ASN 92 2HD2 ASN 92 67.810 74.405 54.171 718 2HD2 ASN 92 1HD2 ASN 92 66.323 74.882 53.354 719 H THR 93 H THR 93 62.428 72.204 55.602 720 HA THR 93 HA THR 93 61.648 69.587 55.133 721 HB THR 93 HB THR 93 63.582 68.482 55.248 722 HG1 THR 93 1HG THR 93 63.024 68.436 58.006 723 1HG2 THR 93 2HG2 THR 93 64.528 70.678 56.855 724 2HG2 THR 93 1HG2 THR 93 64.766 69.196 57.901 725 3HG2 THR 93 3HG2 THR 93 65.575 69.343 56.264 726 H LEU 94 H LEU 94 60.112 68.991 56.171 727 HA LEU 94 HA LEU 94 59.221 70.433 58.500 728 1HB LEU 94 2HB LEU 94 57.560 69.742 56.746 729 2HB LEU 94 1HB LEU 94 58.063 68.009 57.085 730 HG LEU 94 HG LEU 94 57.527 69.192 59.622 731 1HD1 LEU 94 3HD1 LEU 94 55.252 69.824 57.568 732 2HD1 LEU 94 2HD1 LEU 94 54.988 69.661 59.376 733 3HD1 LEU 94 1HD1 LEU 94 56.073 70.939 58.760 734 1HD2 LEU 94 2HD2 LEU 94 56.226 67.049 57.902 735 2HD2 LEU 94 1HD2 LEU 94 57.190 67.008 59.449 736 3HD2 LEU 94 3HD2 LEU 94 55.475 67.517 59.505 737 H VAL 95 H VAL 95 60.446 70.200 60.013 738 HA VAL 95 HA VAL 95 61.292 67.570 61.035 739 HB VAL 95 HB VAL 95 61.454 70.456 62.122 740 1HG1 VAL 95 1HG1 VAL 95 62.238 67.993 63.471 741 2HG1 VAL 95 3HG1 VAL 95 63.655 68.968 63.161 742 3HG1 VAL 95 2HG1 VAL 95 62.230 69.698 64.091 743 1HG2 VAL 95 1HG2 VAL 95 62.902 68.995 60.021 744 2HG2 VAL 95 3HG2 VAL 95 63.270 70.713 60.594 745 3HG2 VAL 95 2HG2 VAL 95 64.114 69.320 61.355 746 H CYS 96 H CYS 96 60.612 66.610 62.959 747 HA CYS 96 HA CYS 96 58.932 68.281 64.701 748 1HB CYS 96 2HB CYS 96 57.389 66.886 63.006 749 2HB CYS 96 1HB CYS 96 57.696 65.493 64.046 750 HG CYS 96 HG CYS 96 55.507 66.523 64.976 751 H VAL 97 H VAL 97 59.472 68.054 66.620 752 HA VAL 97 HA VAL 97 61.329 65.934 67.496 753 HB VAL 97 HB VAL 97 60.514 68.501 68.885 754 1HG1 VAL 97 3HG1 VAL 97 62.944 66.588 68.965 755 2HG1 VAL 97 2HG1 VAL 97 63.058 68.193 69.724 756 3HG1 VAL 97 1HG1 VAL 97 61.786 67.038 70.325 757 1HG2 VAL 97 1HG2 VAL 97 62.548 67.926 66.713 758 2HG2 VAL 97 3HG2 VAL 97 61.172 69.062 66.606 759 3HG2 VAL 97 2HG2 VAL 97 62.590 69.463 67.740 760 H GLN 98 H GLN 98 60.090 64.251 68.310 761 HA GLN 98 HA GLN 98 57.669 64.705 69.970 762 1HB GLN 98 2HB GLN 98 59.254 62.270 69.051 763 2HB GLN 98 1HB GLN 98 57.824 62.077 70.154 764 1HG GLN 98 2HG GLN 98 56.934 63.876 68.077 765 2HG GLN 98 1HG GLN 98 57.872 62.565 67.238 766 1HE2 GLN 98 1HE2 GLN 98 55.113 60.441 67.460 767 2HE2 GLN 98 2HE2 GLN 98 56.566 61.048 66.585 768 H LYS 99 H LYS 99 58.108 65.634 71.735 769 HA LYS 99 HA LYS 99 60.373 64.472 73.343 770 1HB LYS 99 2HB LYS 99 59.226 67.103 72.992 771 2HB LYS 99 1HB LYS 99 58.817 66.612 74.649 772 1HG LYS 99 2HG LYS 99 61.628 66.381 73.421 773 2HG LYS 99 1HG LYS 99 61.158 67.934 74.170 774 1HD LYS 99 2HD LYS 99 60.676 66.462 76.368 775 2HD LYS 99 1HD LYS 99 61.476 65.123 75.442 776 1HE LYS 99 2HE LYS 99 63.304 65.985 76.511 777 2HE LYS 99 1HE LYS 99 63.368 66.967 74.995 778 1HZ LYS 99 2HZ LYS 99 61.938 67.903 77.401 779 2HZ LYS 99 1HZ LYS 99 63.545 68.350 77.127 780 3HZ LYS 99 3HZ LYS 99 62.359 68.775 76.044 781 H GLY 100 H GLY 100 59.699 62.664 73.992 782 1HA GLY 100 1HA GLY 100 57.065 62.467 75.505 783 2HA GLY 100 2HA GLY 100 58.053 61.060 74.974 784 H GLU 101 H GLU 101 59.665 60.354 76.201 785 HA GLU 101 HA GLU 101 60.942 61.626 78.412 786 1HB GLU 101 2HB GLU 101 58.724 61.735 79.584 787 2HB GLU 101 1HB GLU 101 58.309 60.109 78.924 788 1HG GLU 101 2HG GLU 101 59.158 59.217 80.876 789 2HG GLU 101 1HG GLU 101 60.829 59.991 80.506 790 H LYS 102 H LYS 102 59.179 58.746 77.616 791 HA LYS 102 HA LYS 102 61.465 56.894 78.310 792 1HB LYS 102 2HB LYS 102 59.280 56.082 79.071 793 2HB LYS 102 1HB LYS 102 58.544 56.545 77.470 794 1HG LYS 102 2HG LYS 102 60.832 54.587 77.286 795 2HG LYS 102 1HG LYS 102 59.328 53.978 78.056 796 1HD LYS 102 2HD LYS 102 58.318 55.463 75.857 797 2HD LYS 102 1HD LYS 102 59.782 54.535 75.230 798 1HE LYS 102 2HE LYS 102 58.861 52.418 76.087 799 2HE LYS 102 1HE LYS 102 57.524 53.309 76.876 800 1HZ LYS 102 1HZ LYS 102 58.163 53.398 73.923 801 2HZ LYS 102 3HZ LYS 102 57.074 52.302 74.567 802 3HZ LYS 102 2HZ LYS 102 56.795 53.936 74.628 803 H GLU 103 H GLU 103 59.389 57.905 75.706 804 HA GLU 103 HA GLU 103 61.188 56.462 73.769 805 1HB GLU 103 2HB GLU 103 59.227 56.276 72.245 806 2HB GLU 103 1HB GLU 103 58.751 55.743 73.901 807 1HG GLU 103 2HG GLU 103 58.169 58.422 74.082 808 2HG GLU 103 1HG GLU 103 57.784 58.128 72.297 809 H ASN 104 H ASN 104 61.743 57.117 72.010 810 HA ASN 104 HA ASN 104 61.728 60.059 71.460 811 1HB ASN 104 2HB ASN 104 63.512 57.676 70.625 812 2HB ASN 104 1HB ASN 104 63.820 59.398 70.043 813 1HD2 ASN 104 1HD2 ASN 104 65.897 58.309 73.115 814 2HD2 ASN 104 2HD2 ASN 104 65.393 57.388 71.571 815 H ARG 105 H ARG 105 59.864 60.275 70.271 816 HA ARG 105 HA ARG 105 59.443 58.258 68.127 817 1HB ARG 105 2HB ARG 105 57.366 60.157 69.403 818 2HB ARG 105 1HB ARG 105 57.194 59.215 67.890 819 1HG ARG 105 2HG ARG 105 58.314 57.821 70.330 820 2HG ARG 105 1HG ARG 105 56.540 58.246 70.257 821 1HD ARG 105 2HD ARG 105 56.926 57.267 67.716 822 2HD ARG 105 1HD ARG 105 57.995 56.131 68.627 823 HE ARG 105 HE ARG 105 55.986 55.227 69.513 824 1HH1 ARG 105 1HH2 ARG 105 55.368 58.693 68.323 825 2HH1 ARG 105 2HH2 ARG 105 53.661 58.567 68.643 826 1HH2 ARG 105 1HH1 ARG 105 53.750 55.292 69.865 827 2HH2 ARG 105 2HH1 ARG 105 52.703 56.660 69.523 828 H GLY 106 H GLY 106 61.095 60.783 68.703 829 1HA GLY 106 1HA GLY 106 60.587 62.944 66.951 830 2HA GLY 106 2HA GLY 106 62.212 62.256 67.247 831 H TRP 107 H TRP 107 59.437 62.399 65.284 832 HA TRP 107 HA TRP 107 60.876 61.091 63.092 833 1HB TRP 107 2HB TRP 107 58.988 59.988 62.307 834 2HB TRP 107 1HB TRP 107 58.182 60.393 63.868 835 HD1 TRP 107 HD1 TRP 107 58.387 61.383 60.240 836 HE1 TRP 107 HE1 TRP 107 56.693 63.304 59.776 837 HE3 TRP 107 HE3 TRP 107 57.233 62.354 65.002 838 HZ2 TRP 107 HZ2 TRP 107 55.219 64.900 61.283 839 HZ3 TRP 107 HZ3 TRP 107 55.649 64.151 65.484 840 HH2 TRP 107 HH2 TRP 107 54.667 65.397 63.640 841 H LYS 108 H LYS 108 61.132 61.871 61.259 842 HA LYS 108 HA LYS 108 60.124 64.594 60.662 843 1HB LYS 108 2HB LYS 108 62.804 64.855 59.939 844 2HB LYS 108 1HB LYS 108 62.056 65.505 61.506 845 1HG LYS 108 2HG LYS 108 62.586 63.236 62.611 846 2HG LYS 108 1HG LYS 108 63.629 62.955 61.115 847 1HD LYS 108 2HD LYS 108 65.053 63.875 62.960 848 2HD LYS 108 1HD LYS 108 64.822 65.169 61.766 849 1HE LYS 108 2HE LYS 108 63.991 66.353 63.671 850 2HE LYS 108 1HE LYS 108 62.479 65.378 63.407 851 1HZ LYS 108 3HZ LYS 108 64.275 63.831 64.925 852 2HZ LYS 108 2HZ LYS 108 64.196 65.368 65.579 853 3HZ LYS 108 1HZ LYS 108 62.798 64.502 65.348 854 H GLN 109 H GLN 109 60.696 65.467 58.666 855 HA GLN 109 HA GLN 109 61.153 63.164 56.627 856 1HB GLN 109 2HB GLN 109 59.124 65.435 56.733 857 2HB GLN 109 1HB GLN 109 59.351 64.492 55.187 858 1HG GLN 109 2HG GLN 109 57.853 62.949 56.080 859 2HG GLN 109 1HG GLN 109 58.974 62.771 57.602 860 1HE2 GLN 109 1HE2 GLN 109 57.245 65.107 59.523 861 2HE2 GLN 109 2HE2 GLN 109 58.841 64.276 59.057 862 H TRP 110 H TRP 110 62.840 63.667 55.281 863 HA TRP 110 HA TRP 110 63.164 66.613 54.688 864 1HB TRP 110 2HB TRP 110 65.573 65.671 54.171 865 2HB TRP 110 1HB TRP 110 65.050 66.249 55.827 866 HD1 TRP 110 HD1 TRP 110 65.202 62.804 53.953 867 HE1 TRP 110 HE1 TRP 110 65.684 61.045 55.881 868 HE3 TRP 110 HE3 TRP 110 65.087 65.957 57.696 869 HZ2 TRP 110 HZ2 TRP 110 65.953 61.221 58.597 870 HZ3 TRP 110 HZ3 TRP 110 65.450 65.277 59.997 871 HH2 TRP 110 HH2 TRP 110 65.881 62.890 60.465 872 H VAL 111 H VAL 111 64.397 66.886 52.691 873 HA VAL 111 HA VAL 111 63.202 65.257 50.465 874 HB VAL 111 HB VAL 111 64.324 68.125 50.462 875 1HG1 VAL 111 2HG1 VAL 111 63.264 66.364 48.315 876 2HG1 VAL 111 1HG1 VAL 111 62.400 67.973 48.423 877 3HG1 VAL 111 3HG1 VAL 111 64.158 67.936 48.217 878 1HG2 VAL 111 3HG2 VAL 111 62.406 67.893 52.066 879 2HG2 VAL 111 2HG2 VAL 111 62.021 68.922 50.637 880 3HG2 VAL 111 1HG2 VAL 111 61.348 67.236 50.738 881 H GLU 112 H GLU 112 64.625 63.730 50.089 882 HA GLU 112 HA GLU 112 67.438 64.523 49.581 883 1HB GLU 112 2HB GLU 112 66.029 62.169 50.710 884 2HB GLU 112 1HB GLU 112 67.547 61.828 49.783 885 1HG GLU 112 2HG GLU 112 67.274 64.010 51.981 886 2HG GLU 112 1HG GLU 112 67.908 62.249 52.232 887 H GLY 113 H GLY 113 67.029 65.262 47.547 888 1HA GLY 113 1HA GLY 113 67.486 64.923 45.190 889 2HA GLY 113 2HA GLY 113 66.978 63.233 45.377 890 H ASP 114 H ASP 114 65.216 62.669 44.663 891 HA ASP 114 HA ASP 114 63.107 64.620 43.659 892 1HB ASP 114 2HB ASP 114 64.024 61.738 42.854 893 2HB ASP 114 1HB ASP 114 62.430 62.541 42.254 894 H LYS 115 H LYS 115 63.747 62.477 46.054 895 HA LYS 115 HA LYS 115 60.779 62.113 46.590 896 1HB LYS 115 2HB LYS 115 61.151 59.878 47.433 897 2HB LYS 115 1HB LYS 115 61.980 60.012 45.830 898 1HG LYS 115 2HG LYS 115 63.888 60.925 47.828 899 2HG LYS 115 1HG LYS 115 63.194 59.289 48.310 900 1HD LYS 115 2HD LYS 115 63.563 58.624 45.858 901 2HD LYS 115 1HD LYS 115 64.438 60.209 45.575 902 1HE LYS 115 2HE LYS 115 65.754 59.611 47.750 903 2HE LYS 115 1HE LYS 115 65.187 57.929 47.489 904 1HZ LYS 115 1HZ LYS 115 66.361 59.080 45.107 905 2HZ LYS 115 3HZ LYS 115 67.427 59.005 46.379 906 3HZ LYS 115 2HZ LYS 115 66.735 57.608 45.849 907 H LEU 116 H LEU 116 60.490 61.424 48.965 908 HA LEU 116 HA LEU 116 62.465 62.972 50.620 909 1HB LEU 116 2HB LEU 116 61.213 64.699 50.971 910 2HB LEU 116 1HB LEU 116 59.920 64.050 49.907 911 HG LEU 116 HG LEU 116 60.099 63.146 52.839 912 1HD1 LEU 116 1HD1 LEU 116 59.282 65.799 51.654 913 2HD1 LEU 116 3HD1 LEU 116 58.112 65.062 52.804 914 3HD1 LEU 116 2HD1 LEU 116 59.862 65.341 53.314 915 1HD2 LEU 116 2HD2 LEU 116 58.394 62.328 50.658 916 2HD2 LEU 116 1HD2 LEU 116 58.178 62.083 52.477 917 3HD2 LEU 116 3HD2 LEU 116 57.459 63.503 51.611 918 H TYR 117 H TYR 117 63.054 62.138 52.334 919 HA TYR 117 HA TYR 117 61.716 59.543 52.949 920 1HB TYR 117 2HB TYR 117 63.999 61.063 54.408 921 2HB TYR 117 1HB TYR 117 63.505 59.379 54.757 922 HD1 TYR 117 HD1 TYR 117 62.969 58.469 51.802 923 HD2 TYR 117 HD2 TYR 117 66.338 60.688 53.455 924 HE1 TYR 117 HE1 TYR 117 64.389 57.696 50.008 925 HE2 TYR 117 HE2 TYR 117 67.703 59.870 51.606 926 HH TYR 117 HH TYR 117 67.391 57.483 49.929 927 H LEU 118 H LEU 118 61.413 58.867 55.048 928 HA LEU 118 HA LEU 118 60.101 60.923 56.821 929 1HB LEU 118 2HB LEU 118 58.603 59.785 54.893 930 2HB LEU 118 1HB LEU 118 58.526 58.358 56.032 931 HG LEU 118 HG LEU 118 57.268 61.156 56.365 932 1HD1 LEU 118 3HD1 LEU 118 56.548 58.297 56.173 933 2HD1 LEU 118 2HD1 LEU 118 55.874 59.027 57.702 934 3HD1 LEU 118 1HD1 LEU 118 55.547 59.809 56.136 935 1HD2 LEU 118 1HD2 LEU 118 58.933 60.635 58.447 936 2HD2 LEU 118 3HD2 LEU 118 57.177 60.750 58.823 937 3HD2 LEU 118 2HD2 LEU 118 57.947 59.119 58.558 938 H GLU 119 H GLU 119 62.294 60.216 57.437 939 HA GLU 119 HA GLU 119 62.761 57.733 58.759 940 1HB GLU 119 2HB GLU 119 64.313 60.157 58.165 941 2HB GLU 119 1HB GLU 119 64.344 59.884 59.918 942 1HG GLU 119 2HG GLU 119 64.713 57.522 58.026 943 2HG GLU 119 1HG GLU 119 66.106 58.575 58.508 944 H LEU 120 H LEU 120 61.706 56.932 60.328 945 HA LEU 120 HA LEU 120 60.874 58.926 62.455 946 1HB LEU 120 2HB LEU 120 58.878 58.049 62.711 947 2HB LEU 120 1HB LEU 120 59.129 57.558 60.974 948 HG LEU 120 HG LEU 120 60.253 55.408 62.344 949 1HD1 LEU 120 1HD1 LEU 120 57.905 56.638 63.944 950 2HD1 LEU 120 3HD1 LEU 120 57.990 54.813 63.839 951 3HD1 LEU 120 2HD1 LEU 120 59.373 55.729 64.501 952 1HD2 LEU 120 3HD2 LEU 120 58.774 55.212 60.367 953 2HD2 LEU 120 2HD2 LEU 120 58.225 54.119 61.727 954 3HD2 LEU 120 1HD2 LEU 120 57.350 55.636 61.434 955 H THR 121 H THR 121 61.077 58.370 64.570 956 HA THR 121 HA THR 121 62.914 56.053 65.218 957 HB THR 121 HB THR 121 62.608 58.902 66.361 958 HG1 THR 121 1HG THR 121 63.798 58.063 64.274 959 1HG2 THR 121 2HG2 THR 121 64.224 56.376 67.041 960 2HG2 THR 121 1HG2 THR 121 65.154 57.931 67.261 961 3HG2 THR 121 3HG2 THR 121 63.660 57.650 68.230 962 H CYS 122 H CYS 122 62.527 55.290 67.525 963 HA CYS 122 HA CYS 122 59.903 56.020 68.693 964 1HB CYS 122 2HB CYS 122 59.418 53.343 68.337 965 2HB CYS 122 1HB CYS 122 58.800 54.583 67.244 966 HG CYS 122 HG CYS 122 59.780 52.423 65.879 967 H GLY 123 H GLY 123 62.640 55.937 69.407 968 1HA GLY 123 1HA GLY 123 63.335 55.641 71.746 969 2HA GLY 123 2HA GLY 123 62.350 54.104 71.771 970 H ASP 124 H ASP 124 63.022 52.320 71.075 971 HA ASP 124 HA ASP 124 65.978 51.930 70.899 972 1HB ASP 124 2HB ASP 124 63.992 50.383 71.986 973 2HB ASP 124 1HB ASP 124 63.968 49.674 70.288 974 H GLN 125 H GLN 125 63.220 51.946 68.734 975 HA GLN 125 HA GLN 125 65.162 51.052 66.529 976 1HB GLN 125 2HB GLN 125 62.119 51.104 66.831 977 2HB GLN 125 1HB GLN 125 62.832 51.109 65.179 978 1HG GLN 125 2HG GLN 125 63.698 48.990 67.236 979 2HG GLN 125 1HG GLN 125 62.193 48.890 66.175 980 1HE2 GLN 125 2HE2 GLN 125 64.690 47.357 64.097 981 2HE2 GLN 125 1HE2 GLN 125 63.605 47.062 65.597 982 H VAL 126 H VAL 126 64.573 51.872 64.551 983 HA VAL 126 HA VAL 126 63.934 54.731 64.143 984 HB VAL 126 HB VAL 126 66.429 54.729 62.879 985 1HG1 VAL 126 3HG1 VAL 126 65.493 56.055 65.074 986 2HG1 VAL 126 2HG1 VAL 126 66.364 54.748 65.999 987 3HG1 VAL 126 1HG1 VAL 126 67.254 55.867 64.879 988 1HG2 VAL 126 2HG2 VAL 126 66.765 52.302 63.399 989 2HG2 VAL 126 1HG2 VAL 126 68.076 53.348 63.967 990 3HG2 VAL 126 3HG2 VAL 126 66.918 52.704 65.170 991 H CYS 127 H CYS 127 62.312 53.838 62.865 992 HA CYS 127 HA CYS 127 62.755 51.981 60.625 993 1HB CYS 127 2HB CYS 127 60.501 53.050 61.980 994 2HB CYS 127 1HB CYS 127 60.522 54.063 60.553 995 HG CYS 127 HG CYS 127 61.085 51.515 59.105 996 H ARG 128 H ARG 128 63.925 52.246 58.926 997 HA ARG 128 HA ARG 128 64.249 55.100 57.961 998 1HB ARG 128 2HB ARG 128 65.402 52.353 57.351 999 2HB ARG 128 1HB ARG 128 65.549 53.667 56.120 1000 1HG ARG 128 2HG ARG 128 66.303 54.493 58.884 1001 2HG ARG 128 1HG ARG 128 67.474 53.385 58.051 1002 1HD ARG 128 2HD ARG 128 66.471 55.446 56.192 1003 2HD ARG 128 1HD ARG 128 67.082 56.266 57.722 1004 HE ARG 128 HE ARG 128 68.625 54.923 55.633 1005 1HH1 ARG 128 2HH2 ARG 128 68.422 55.843 59.137 1006 2HH1 ARG 128 1HH2 ARG 128 70.147 55.851 59.331 1007 1HH2 ARG 128 1HH1 ARG 128 71.000 54.980 56.057 1008 2HH2 ARG 128 2HH1 ARG 128 71.587 55.386 57.676 1009 H GLN 129 H GLN 129 62.176 55.620 57.146 1010 HA GLN 129 HA GLN 129 61.018 53.683 55.220 1011 1HB GLN 129 2HB GLN 129 60.148 56.569 55.741 1012 2HB GLN 129 1HB GLN 129 59.138 55.266 54.985 1013 1HG GLN 129 2HG GLN 129 59.419 53.833 57.026 1014 2HG GLN 129 1HG GLN 129 60.136 55.330 57.874 1015 1HE2 GLN 129 1HE2 GLN 129 56.296 54.633 58.226 1016 2HE2 GLN 129 2HE2 GLN 129 57.683 53.544 58.224 1017 H VAL 130 H VAL 130 60.142 54.317 53.031 1018 HA VAL 130 HA VAL 130 62.223 55.957 51.574 1019 HB VAL 130 HB VAL 130 61.173 53.899 49.770 1020 1HG1 VAL 130 1HG1 VAL 130 63.783 54.676 51.091 1021 2HG1 VAL 130 3HG1 VAL 130 63.730 52.967 50.672 1022 3HG1 VAL 130 2HG1 VAL 130 63.516 54.258 49.364 1023 1HG2 VAL 130 2HG2 VAL 130 60.338 52.685 51.723 1024 2HG2 VAL 130 1HG2 VAL 130 61.671 51.784 50.841 1025 3HG2 VAL 130 3HG2 VAL 130 61.980 52.633 52.424 1026 H PHE 131 H PHE 131 61.596 56.889 49.695 1027 HA PHE 131 HA PHE 131 58.663 56.852 48.976 1028 1HB PHE 131 2HB PHE 131 60.446 59.180 49.789 1029 2HB PHE 131 1HB PHE 131 58.761 59.347 49.046 1030 HD1 PHE 131 HD1 PHE 131 60.691 58.141 52.090 1031 HD2 PHE 131 HD2 PHE 131 56.871 58.812 50.198 1032 HE1 PHE 131 HE1 PHE 131 59.565 57.699 54.320 1033 HE2 PHE 131 HE2 PHE 131 55.802 58.392 52.401 1034 HZ PHE 131 HZ PHE 131 57.154 57.845 54.383 1035 H LYS 132 H LYS 132 58.215 58.402 47.325 1036 HA LYS 132 HA LYS 132 60.319 59.197 45.387 1037 1HB LYS 132 2HB LYS 132 59.470 57.853 43.544 1038 2HB LYS 132 1HB LYS 132 59.720 56.718 44.954 1039 1HG LYS 132 2HG LYS 132 57.666 56.016 44.231 1040 2HG LYS 132 1HG LYS 132 56.979 57.331 45.277 1041 1HD LYS 132 2HD LYS 132 55.999 58.110 43.414 1042 2HD LYS 132 1HD LYS 132 57.660 58.583 42.767 1043 1HE LYS 132 2HE LYS 132 56.464 55.794 42.450 1044 2HE LYS 132 1HE LYS 132 56.101 57.124 41.256 1045 1HZ LYS 132 2HZ LYS 132 58.632 57.309 41.238 1046 2HZ LYS 132 1HZ LYS 132 58.636 55.737 41.870 1047 3HZ LYS 132 3HZ LYS 132 57.979 56.016 40.404 1048 H LYS 133 H LYS 133 59.587 60.903 44.356 1049 HA LYS 133 HA LYS 133 57.036 62.075 45.351 1050 1HB LYS 133 2HB LYS 133 59.004 63.491 45.086 1051 2HB LYS 133 1HB LYS 133 58.904 63.189 43.286 1052 1HG LYS 133 2HG LYS 133 56.491 64.086 43.364 1053 2HG LYS 133 1HG LYS 133 56.750 64.391 45.167 1054 1HD LYS 133 2HD LYS 133 57.163 66.570 44.247 1055 2HD LYS 133 1HD LYS 133 58.799 65.779 44.114 1056 1HE LYS 133 2HE LYS 133 58.757 66.001 41.944 1057 2HE LYS 133 1HE LYS 133 57.133 65.065 41.798 1058 1HZ LYS 133 2HZ LYS 133 57.023 67.826 42.707 1059 2HZ LYS 133 1HZ LYS 133 57.315 67.589 41.079 1060 3HZ LYS 133 3HZ LYS 133 55.977 66.907 41.749 1061 H LYS 134 H LYS 134 55.441 60.997 44.712 1062 HA LYS 134 HA LYS 134 53.700 60.262 43.285 1063 1HB LYS 134 2HB LYS 134 53.464 62.846 43.378 1064 2HB LYS 134 1HB LYS 134 54.586 63.005 42.014 1065 1HG LYS 134 2HG LYS 134 52.718 61.519 40.759 1066 2HG LYS 134 1HG LYS 134 51.651 62.104 42.119 1067 1HD LYS 134 2HD LYS 134 53.353 63.860 40.267 1068 2HD LYS 134 1HD LYS 134 51.537 63.718 40.285 1069 1HE LYS 134 2HE LYS 134 51.351 64.342 42.627 1070 2HE LYS 134 1HE LYS 134 53.180 64.710 42.663 1071 1HZ LYS 134 3HZ LYS 134 52.357 66.141 40.571 1072 2HZ LYS 134 2HZ LYS 134 50.924 66.110 41.380 1073 3HZ LYS 134 1HZ LYS 134 52.307 66.755 42.097 No H/Q in entry = 1073 Start of MODEL 5 1 1H MET 1 1H MET 1 64.873 74.952 44.820 2 2H MET 1 3H MET 1 64.733 76.384 44.015 3 3H MET 1 2H MET 1 66.049 76.100 45.085 4 HA MET 1 HA MET 1 64.696 77.284 46.614 5 1HB MET 1 2HB MET 1 62.728 76.785 44.333 6 2HB MET 1 1HB MET 1 62.066 76.647 46.007 7 1HG MET 1 2HG MET 1 62.703 78.845 46.637 8 2HG MET 1 1HG MET 1 63.906 79.069 45.447 9 1HE MET 1 2HE MET 1 62.969 81.230 45.301 10 2HE MET 1 1HE MET 1 62.667 81.224 43.498 11 3HE MET 1 3HE MET 1 61.434 81.691 44.802 12 H THR 2 H THR 2 63.089 76.876 48.093 13 HA THR 2 HA THR 2 63.107 73.910 48.838 14 HB THR 2 HB THR 2 62.507 75.080 51.187 15 HG1 THR 2 1HG THR 2 62.605 77.142 51.184 16 1HG2 THR 2 1HG2 THR 2 64.792 73.986 50.256 17 2HG2 THR 2 3HG2 THR 2 65.267 75.609 49.737 18 3HG2 THR 2 2HG2 THR 2 65.133 75.214 51.510 19 H LYS 3 H LYS 3 61.486 73.453 50.533 20 HA LYS 3 HA LYS 3 59.186 72.972 50.838 21 1HB LYS 3 2HB LYS 3 59.229 75.979 50.237 22 2HB LYS 3 1HB LYS 3 57.712 75.106 50.769 23 1HG LYS 3 2HG LYS 3 58.511 74.971 52.904 24 2HG LYS 3 1HG LYS 3 60.142 74.387 52.280 25 1HD LYS 3 2HD LYS 3 61.037 76.506 52.498 26 2HD LYS 3 1HD LYS 3 59.588 77.297 51.764 27 1HE LYS 3 2HE LYS 3 58.408 76.693 54.009 28 2HE LYS 3 1HE LYS 3 60.150 76.661 54.682 29 1HZ LYS 3 1HZ LYS 3 59.321 78.925 52.961 30 2HZ LYS 3 3HZ LYS 3 58.818 78.949 54.534 31 3HZ LYS 3 2HZ LYS 3 60.453 78.839 54.134 32 H ASP 4 H ASP 4 59.245 71.543 48.941 33 HA ASP 4 HA ASP 4 58.307 72.508 46.359 34 1HB ASP 4 2HB ASP 4 59.591 70.245 46.982 35 2HB ASP 4 1HB ASP 4 57.855 69.656 47.239 36 H GLN 5 H GLN 5 56.727 70.711 49.108 37 HA GLN 5 HA GLN 5 54.579 70.583 49.811 38 1HB GLN 5 2HB GLN 5 53.747 72.784 49.921 39 2HB GLN 5 1HB GLN 5 54.993 73.316 48.666 40 1HG GLN 5 2HG GLN 5 53.508 72.478 46.864 41 2HG GLN 5 1HG GLN 5 52.194 72.275 48.213 42 1HE2 GLN 5 1HE2 GLN 5 53.412 75.854 46.578 43 2HE2 GLN 5 2HE2 GLN 5 54.115 74.276 46.250 44 H ASN 6 H ASN 6 52.476 70.366 49.103 45 HA ASN 6 HA ASN 6 51.056 68.709 48.226 46 1HB ASN 6 2HB ASN 6 51.057 71.217 46.790 47 2HB ASN 6 1HB ASN 6 51.113 69.872 45.527 48 1HD2 ASN 6 2HD2 ASN 6 47.928 69.551 48.018 49 2HD2 ASN 6 1HD2 ASN 6 49.612 70.110 48.642 50 H GLY 7 H GLY 7 51.244 66.782 47.655 51 1HA GLY 7 1HA GLY 7 52.016 66.002 44.879 52 2HA GLY 7 2HA GLY 7 53.295 65.721 46.096 53 H THR 8 H THR 8 53.379 63.745 46.317 54 HA THR 8 HA THR 8 51.908 62.102 47.847 55 HB THR 8 HB THR 8 49.969 62.113 46.351 56 HG1 THR 8 1HG THR 8 50.424 59.780 45.460 57 1HG2 THR 8 3HG2 THR 8 51.562 62.751 44.249 58 2HG2 THR 8 2HG2 THR 8 51.871 60.977 44.124 59 3HG2 THR 8 1HG2 THR 8 50.194 61.601 43.907 60 H TRP 9 H TRP 9 52.784 60.176 47.958 61 HA TRP 9 HA TRP 9 55.086 59.616 46.144 62 1HB TRP 9 2HB TRP 9 55.979 59.568 49.009 63 2HB TRP 9 1HB TRP 9 56.943 59.757 47.516 64 HD1 TRP 9 HD1 TRP 9 54.010 61.833 49.031 65 HE1 TRP 9 HE1 TRP 9 54.465 64.363 49.028 66 HE3 TRP 9 HE3 TRP 9 58.387 61.434 47.082 67 HZ2 TRP 9 HZ2 TRP 9 56.580 65.841 48.199 68 HZ3 TRP 9 HZ3 TRP 9 59.766 63.490 46.630 69 HH2 TRP 9 HH2 TRP 9 58.884 65.598 47.178 70 H GLU 10 H GLU 10 54.649 57.667 45.438 71 HA GLU 10 HA GLU 10 53.438 55.623 47.087 72 1HB GLU 10 2HB GLU 10 55.437 55.178 44.710 73 2HB GLU 10 1HB GLU 10 54.160 54.077 45.380 74 1HG GLU 10 2HG GLU 10 52.805 56.512 44.875 75 2HG GLU 10 1HG GLU 10 54.029 56.318 43.465 76 H MET 11 H MET 11 54.483 55.636 48.931 77 HA MET 11 HA MET 11 57.225 55.496 49.753 78 1HB MET 11 2HB MET 11 54.532 54.623 50.709 79 2HB MET 11 1HB MET 11 55.819 53.404 51.152 80 1HG MET 11 2HG MET 11 56.909 54.792 52.671 81 2HG MET 11 1HG MET 11 56.535 56.211 51.675 82 1HE MET 11 3HE MET 11 55.801 53.642 54.321 83 2HE MET 11 2HE MET 11 55.996 55.084 55.313 84 3HE MET 11 1HE MET 11 54.410 54.220 55.243 85 H GLU 12 H GLU 12 58.418 54.766 48.287 86 HA GLU 12 HA GLU 12 58.415 52.674 46.530 87 1HB GLU 12 2HB GLU 12 60.307 54.434 46.755 88 2HB GLU 12 1HB GLU 12 60.827 53.552 48.266 89 1HG GLU 12 2HG GLU 12 61.521 51.635 46.914 90 2HG GLU 12 1HG GLU 12 60.487 52.268 45.491 91 H SER 13 H SER 13 58.924 52.689 49.902 92 HA SER 13 HA SER 13 58.015 49.986 50.376 93 1HB SER 13 2HB SER 13 60.344 49.071 51.216 94 2HB SER 13 1HB SER 13 60.154 49.108 49.369 95 HG SER 13 HG SER 13 61.335 50.823 49.278 96 H ASN 14 H ASN 14 57.740 49.610 52.350 97 HA ASN 14 HA ASN 14 58.643 51.640 54.391 98 1HB ASN 14 2HB ASN 14 56.075 50.653 54.156 99 2HB ASN 14 1HB ASN 14 56.880 49.204 55.016 100 1HD2 ASN 14 2HD2 ASN 14 55.593 51.965 57.351 101 2HD2 ASN 14 1HD2 ASN 14 54.891 51.145 55.831 102 H GLU 15 H GLU 15 59.947 51.340 55.829 103 HA GLU 15 HA GLU 15 60.872 48.480 56.236 104 1HB GLU 15 2HB GLU 15 62.534 50.161 55.131 105 2HB GLU 15 1HB GLU 15 62.552 51.142 56.661 106 1HG GLU 15 2HG GLU 15 64.379 49.543 56.653 107 2HG GLU 15 1HG GLU 15 63.196 49.136 58.022 108 H ASN 16 H ASN 16 61.133 47.717 58.271 109 HA ASN 16 HA ASN 16 60.565 47.438 60.466 110 1HB ASN 16 2HB ASN 16 62.445 49.631 60.204 111 2HB ASN 16 1HB ASN 16 61.285 50.037 61.587 112 1HD2 ASN 16 2HD2 ASN 16 63.363 48.044 63.581 113 2HD2 ASN 16 1HD2 ASN 16 62.736 49.763 63.107 114 H PHE 17 H PHE 17 58.451 47.480 59.590 115 HA PHE 17 HA PHE 17 56.727 49.843 60.354 116 1HB PHE 17 2HB PHE 17 56.101 49.006 58.226 117 2HB PHE 17 1HB PHE 17 56.573 47.317 58.688 118 HD1 PHE 17 HD2 PHE 17 54.151 50.068 59.632 119 HD2 PHE 17 HD1 PHE 17 54.836 45.875 59.343 120 HE1 PHE 17 HE2 PHE 17 51.772 49.709 60.335 121 HE2 PHE 17 HE1 PHE 17 52.490 45.445 60.045 122 HZ PHE 17 HZ PHE 17 50.955 47.395 60.546 123 H GLU 18 H GLU 18 57.366 46.462 60.830 124 HA GLU 18 HA GLU 18 55.397 45.999 63.028 125 1HB GLU 18 2HB GLU 18 56.245 44.184 61.422 126 2HB GLU 18 1HB GLU 18 57.932 44.579 61.886 127 1HG GLU 18 2HG GLU 18 57.121 43.949 64.359 128 2HG GLU 18 1HG GLU 18 55.791 43.009 63.359 129 H GLY 19 H GLY 19 58.876 46.711 62.749 130 1HA GLY 19 1HA GLY 19 59.277 46.233 65.610 131 2HA GLY 19 2HA GLY 19 60.394 47.182 64.543 132 H TYR 20 H TYR 20 58.043 48.963 63.748 133 HA TYR 20 HA TYR 20 58.462 50.969 65.902 134 1HB TYR 20 2HB TYR 20 58.143 51.696 63.610 135 2HB TYR 20 1HB TYR 20 56.612 50.690 63.481 136 HD1 TYR 20 HD2 TYR 20 57.612 52.736 66.348 137 HD2 TYR 20 HD1 TYR 20 55.055 52.434 62.931 138 HE1 TYR 20 HE2 TYR 20 56.384 54.604 67.236 139 HE2 TYR 20 HE1 TYR 20 53.732 54.390 63.800 140 HH TYR 20 HH TYR 20 53.745 56.089 65.347 141 H MET 21 H MET 21 56.053 48.586 65.006 142 HA MET 21 HA MET 21 54.088 49.667 66.903 143 1HB MET 21 2HB MET 21 54.613 47.262 65.054 144 2HB MET 21 1HB MET 21 53.431 47.010 66.388 145 1HG MET 21 2HG MET 21 52.329 49.211 65.635 146 2HG MET 21 1HG MET 21 53.261 49.248 64.180 147 1HE MET 21 3HE MET 21 50.928 49.735 63.469 148 2HE MET 21 2HE MET 21 50.272 48.577 62.428 149 3HE MET 21 1HE MET 21 49.503 48.761 64.059 150 H LYS 22 H LYS 22 56.660 47.532 66.832 151 HA LYS 22 HA LYS 22 56.084 46.271 69.408 152 1HB LYS 22 2HB LYS 22 58.479 46.034 67.376 153 2HB LYS 22 1HB LYS 22 58.603 45.448 69.081 154 1HG LYS 22 2HG LYS 22 56.144 44.504 68.385 155 2HG LYS 22 1HG LYS 22 57.104 44.349 66.810 156 1HD LYS 22 2HD LYS 22 58.041 43.412 69.661 157 2HD LYS 22 1HD LYS 22 57.443 42.274 68.391 158 1HE LYS 22 2HE LYS 22 59.323 43.359 66.838 159 2HE LYS 22 1HE LYS 22 59.882 44.187 68.333 160 1HZ LYS 22 3HZ LYS 22 59.662 41.733 69.257 161 2HZ LYS 22 2HZ LYS 22 59.948 41.270 67.729 162 3HZ LYS 22 1HZ LYS 22 61.071 42.266 68.532 163 H ALA 23 H ALA 23 57.901 48.795 68.191 164 HA ALA 23 HA ALA 23 59.786 49.095 70.271 165 1HB ALA 23 2HB ALA 23 59.930 50.138 68.059 166 2HB ALA 23 1HB ALA 23 58.569 51.226 68.483 167 3HB ALA 23 3HB ALA 23 60.162 51.391 69.387 168 H LEU 24 H LEU 24 56.564 50.287 69.825 169 HA LEU 24 HA LEU 24 56.515 51.587 72.559 170 1HB LEU 24 2HB LEU 24 54.669 52.857 71.717 171 2HB LEU 24 1HB LEU 24 55.722 52.666 70.260 172 HG LEU 24 HG LEU 24 54.182 50.393 69.924 173 1HD1 LEU 24 1HD1 LEU 24 52.812 52.091 71.967 174 2HD1 LEU 24 3HD1 LEU 24 51.776 51.606 70.540 175 3HD1 LEU 24 2HD1 LEU 24 52.566 50.350 71.597 176 1HD2 LEU 24 1HD2 LEU 24 53.532 53.261 69.101 177 2HD2 LEU 24 3HD2 LEU 24 54.573 52.022 68.269 178 3HD2 LEU 24 2HD2 LEU 24 52.767 51.818 68.387 179 H ASP 25 H ASP 25 55.849 48.787 70.907 180 HA ASP 25 HA ASP 25 54.618 46.825 71.207 181 1HB ASP 25 2HB ASP 25 55.863 46.441 73.203 182 2HB ASP 25 1HB ASP 25 55.061 47.860 74.066 183 H ILE 26 H ILE 26 52.998 47.167 70.166 184 HA ILE 26 HA ILE 26 50.434 47.969 71.577 185 HB ILE 26 HB ILE 26 51.186 49.649 69.866 186 1HG1 ILE 26 2HG1 ILE 26 48.701 48.286 68.767 187 2HG1 ILE 26 1HG1 ILE 26 48.761 48.911 70.477 188 1HG2 ILE 26 1HG2 ILE 26 51.402 47.124 68.240 189 2HG2 ILE 26 3HG2 ILE 26 50.350 48.402 67.438 190 3HG2 ILE 26 2HG2 ILE 26 52.108 48.729 67.915 191 1HD1 ILE 26 1HD1 ILE 26 49.615 50.689 68.069 192 2HD1 ILE 26 3HD1 ILE 26 47.933 50.599 68.720 193 3HD1 ILE 26 2HD1 ILE 26 49.307 51.158 69.759 194 H ASP 27 H ASP 27 51.577 45.573 71.723 195 HA ASP 27 HA ASP 27 50.918 43.359 71.681 196 1HB ASP 27 2HB ASP 27 48.490 44.607 71.258 197 2HB ASP 27 1HB ASP 27 48.685 43.685 69.666 198 H PHE 28 H PHE 28 51.641 41.633 70.436 199 HA PHE 28 HA PHE 28 52.562 42.547 67.721 200 1HB PHE 28 2HB PHE 28 54.020 40.146 68.505 201 2HB PHE 28 1HB PHE 28 54.548 41.860 68.281 202 HD1 PHE 28 HD2 PHE 28 53.113 39.315 70.606 203 HD2 PHE 28 HD1 PHE 28 54.894 43.229 70.221 204 HE1 PHE 28 HE2 PHE 28 53.346 39.420 73.100 205 HE2 PHE 28 HE1 PHE 28 55.139 43.337 72.758 206 HZ PHE 28 HZ PHE 28 54.342 41.430 74.145 207 H ALA 29 H ALA 29 53.383 40.396 66.521 208 HA ALA 29 HA ALA 29 52.549 38.796 64.867 209 1HB ALA 29 2HB ALA 29 52.310 37.504 67.145 210 2HB ALA 29 1HB ALA 29 50.572 38.095 67.211 211 3HB ALA 29 3HB ALA 29 51.098 37.017 65.857 212 H THR 30 H THR 30 51.757 41.350 65.291 213 HA THR 30 HA THR 30 48.959 41.321 64.293 214 HB THR 30 HB THR 30 49.952 42.722 66.310 215 HG1 THR 30 1HG THR 30 48.138 43.882 64.529 216 1HG2 THR 30 2HG2 THR 30 51.471 44.050 64.448 217 2HG2 THR 30 1HG2 THR 30 49.902 44.842 63.985 218 3HG2 THR 30 3HG2 THR 30 50.570 45.013 65.679 219 H ARG 31 H ARG 31 52.104 41.627 63.258 220 HA ARG 31 HA ARG 31 51.586 43.241 60.833 221 1HB ARG 31 2HB ARG 31 53.851 43.467 60.565 222 2HB ARG 31 1HB ARG 31 53.713 43.247 62.347 223 1HG ARG 31 2HG ARG 31 54.381 40.929 60.318 224 2HG ARG 31 1HG ARG 31 55.581 41.936 61.212 225 1HD ARG 31 2HD ARG 31 54.799 41.071 63.371 226 2HD ARG 31 1HD ARG 31 53.329 40.333 62.625 227 HE ARG 31 HE ARG 31 55.356 39.226 61.201 228 1HH1 ARG 31 2HH1 ARG 31 54.516 39.423 64.671 229 2HH1 ARG 31 1HH1 ARG 31 55.222 37.840 65.098 230 1HH2 ARG 31 2HH2 ARG 31 56.292 37.218 61.739 231 2HH2 ARG 31 1HH2 ARG 31 56.257 36.574 63.389 232 H LYS 32 H LYS 32 53.061 42.023 58.922 233 HA LYS 32 HA LYS 32 53.198 40.267 57.469 234 1HB LYS 32 2HB LYS 32 53.089 38.137 58.271 235 2HB LYS 32 1HB LYS 32 52.776 39.017 59.824 236 1HG LYS 32 2HG LYS 32 50.191 38.728 59.259 237 2HG LYS 32 1HG LYS 32 50.752 37.658 57.914 238 1HD LYS 32 2HD LYS 32 51.707 36.023 59.237 239 2HD LYS 32 1HD LYS 32 51.963 37.173 60.594 240 1HE LYS 32 2HE LYS 32 50.057 36.146 61.510 241 2HE LYS 32 1HE LYS 32 49.241 37.345 60.430 242 1HZ LYS 32 2HZ LYS 32 50.085 34.950 59.075 243 2HZ LYS 32 1HZ LYS 32 48.787 34.695 60.104 244 3HZ LYS 32 3HZ LYS 32 48.679 35.857 58.957 245 H ILE 33 H ILE 33 50.788 42.174 58.201 246 HA ILE 33 HA ILE 33 49.350 41.276 55.773 247 HB ILE 33 HB ILE 33 47.204 42.237 57.441 248 1HG1 ILE 33 2HG1 ILE 33 47.237 40.208 59.140 249 2HG1 ILE 33 1HG1 ILE 33 49.043 40.164 58.790 250 1HG2 ILE 33 2HG2 ILE 33 48.087 39.674 56.072 251 2HG2 ILE 33 1HG2 ILE 33 46.752 39.567 57.289 252 3HG2 ILE 33 3HG2 ILE 33 46.573 40.591 55.792 253 1HD1 ILE 33 3HD1 ILE 33 47.794 42.854 59.446 254 2HD1 ILE 33 2HD1 ILE 33 47.925 41.596 60.800 255 3HD1 ILE 33 1HD1 ILE 33 49.396 42.250 59.987 256 H ALA 34 H ALA 34 49.645 43.759 58.398 257 HA ALA 34 HA ALA 34 48.394 45.780 56.542 258 1HB ALA 34 2HB ALA 34 48.416 45.542 59.270 259 2HB ALA 34 1HB ALA 34 49.791 46.672 59.045 260 3HB ALA 34 3HB ALA 34 48.132 47.139 58.435 261 H VAL 35 H VAL 35 51.088 44.409 55.994 262 HA VAL 35 HA VAL 35 53.196 46.259 56.321 263 HB VAL 35 HB VAL 35 52.572 44.494 53.917 264 1HG1 VAL 35 3HG1 VAL 35 55.086 46.016 54.838 265 2HG1 VAL 35 2HG1 VAL 35 55.313 44.495 53.856 266 3HG1 VAL 35 1HG1 VAL 35 54.371 45.854 53.195 267 1HG2 VAL 35 1HG2 VAL 35 53.285 43.767 56.643 268 2HG2 VAL 35 3HG2 VAL 35 52.980 42.694 55.180 269 3HG2 VAL 35 2HG2 VAL 35 54.665 43.343 55.564 270 H ARG 36 H ARG 36 50.526 46.077 54.440 271 HA ARG 36 HA ARG 36 49.606 48.401 53.737 272 1HB ARG 36 2HB ARG 36 52.269 48.113 52.210 273 2HB ARG 36 1HB ARG 36 50.806 48.827 51.353 274 1HG ARG 36 2HG ARG 36 52.671 50.212 52.890 275 2HG ARG 36 1HG ARG 36 51.026 50.835 52.355 276 1HD ARG 36 2HD ARG 36 50.012 50.242 54.399 277 2HD ARG 36 1HD ARG 36 51.296 49.147 54.943 278 HE ARG 36 HE ARG 36 52.377 51.814 54.566 279 1HH1 ARG 36 1HH1 ARG 36 50.419 49.779 56.710 280 2HH1 ARG 36 2HH1 ARG 36 50.775 50.674 58.167 281 1HH2 ARG 36 2HH2 ARG 36 52.900 53.043 56.534 282 2HH2 ARG 36 1HH2 ARG 36 52.189 52.527 58.059 283 H LEU 37 H LEU 37 48.060 48.365 52.618 284 HA LEU 37 HA LEU 37 47.872 45.926 50.875 285 1HB LEU 37 2HB LEU 37 45.251 46.527 51.166 286 2HB LEU 37 1HB LEU 37 46.119 45.956 52.684 287 HG LEU 37 HG LEU 37 46.378 48.165 53.504 288 1HD1 LEU 37 2HD1 LEU 37 45.242 49.025 50.780 289 2HD1 LEU 37 1HD1 LEU 37 45.380 50.199 52.130 290 3HD1 LEU 37 3HD1 LEU 37 46.883 49.457 51.466 291 1HD2 LEU 37 3HD2 LEU 37 44.254 46.914 53.693 292 2HD2 LEU 37 2HD2 LEU 37 43.921 48.709 53.736 293 3HD2 LEU 37 1HD2 LEU 37 43.574 47.696 52.231 294 H THR 38 H THR 38 49.021 48.689 50.354 295 HA THR 38 HA THR 38 48.627 48.674 47.655 296 HB THR 38 HB THR 38 46.347 49.867 49.169 297 HG1 THR 38 1HG THR 38 45.391 49.448 47.194 298 1HG2 THR 38 2HG2 THR 38 47.849 51.868 47.524 299 2HG2 THR 38 1HG2 THR 38 46.412 51.324 46.644 300 3HG2 THR 38 3HG2 THR 38 46.191 51.994 48.309 301 H GLN 39 H GLN 39 48.705 51.070 50.348 302 HA GLN 39 HA GLN 39 50.229 52.578 50.885 303 1HB GLN 39 2HB GLN 39 51.784 50.554 50.376 304 2HB GLN 39 1HB GLN 39 52.217 51.403 48.842 305 1HG GLN 39 2HG GLN 39 53.162 53.239 49.886 306 2HG GLN 39 1HG GLN 39 52.213 53.035 51.439 307 1HE2 GLN 39 2HE2 GLN 39 55.085 51.676 52.861 308 2HE2 GLN 39 1HE2 GLN 39 53.898 53.001 52.750 309 H THR 40 H THR 40 50.857 54.411 50.523 310 HA THR 40 HA THR 40 51.750 55.929 48.507 311 HB THR 40 HB THR 40 48.693 55.849 48.415 312 HG1 THR 40 1HG THR 40 50.765 55.503 46.548 313 1HG2 THR 40 2HG2 THR 40 50.628 58.137 47.711 314 2HG2 THR 40 1HG2 THR 40 49.149 57.825 46.674 315 3HG2 THR 40 3HG2 THR 40 48.909 58.186 48.406 316 H LYS 41 H LYS 41 52.651 57.363 49.772 317 HA LYS 41 HA LYS 41 50.853 58.428 52.024 318 1HB LYS 41 2HB LYS 41 53.008 57.835 52.878 319 2HB LYS 41 1HB LYS 41 53.835 58.350 51.315 320 1HG LYS 41 2HG LYS 41 52.482 60.356 53.235 321 2HG LYS 41 1HG LYS 41 54.107 59.710 53.635 322 1HD LYS 41 2HD LYS 41 54.525 60.296 50.985 323 2HD LYS 41 1HD LYS 41 53.217 61.483 51.293 324 1HE LYS 41 2HE LYS 41 55.605 61.279 53.164 325 2HE LYS 41 1HE LYS 41 55.699 62.238 51.595 326 1HZ LYS 41 3HZ LYS 41 53.304 62.699 53.221 327 2HZ LYS 41 2HZ LYS 41 54.697 63.085 53.996 328 3HZ LYS 41 1HZ LYS 41 54.308 63.814 52.506 329 H ILE 42 H ILE 42 50.621 60.748 52.334 330 HA ILE 42 HA ILE 42 51.386 62.316 49.833 331 HB ILE 42 HB ILE 42 48.542 62.305 51.167 332 1HG1 ILE 42 2HG1 ILE 42 48.219 61.511 48.615 333 2HG1 ILE 42 1HG1 ILE 42 49.816 60.748 48.906 334 1HG2 ILE 42 2HG2 ILE 42 49.666 63.799 48.702 335 2HG2 ILE 42 1HG2 ILE 42 47.929 63.427 48.994 336 3HG2 ILE 42 3HG2 ILE 42 48.767 64.458 50.148 337 1HD1 ILE 42 3HD1 ILE 42 47.591 60.569 51.033 338 2HD1 ILE 42 2HD1 ILE 42 47.672 59.284 49.730 339 3HD1 ILE 42 1HD1 ILE 42 49.062 59.561 50.865 340 H ILE 43 H ILE 43 51.094 64.449 49.870 341 HA ILE 43 HA ILE 43 51.530 65.764 52.556 342 HB ILE 43 HB ILE 43 53.462 64.936 51.047 343 1HG1 ILE 43 2HG1 ILE 43 53.585 66.600 52.898 344 2HG1 ILE 43 1HG1 ILE 43 54.907 66.838 51.676 345 1HG2 ILE 43 3HG2 ILE 43 52.427 65.811 48.898 346 2HG2 ILE 43 2HG2 ILE 43 52.819 67.491 49.384 347 3HG2 ILE 43 1HG2 ILE 43 54.183 66.329 49.143 348 1HD1 ILE 43 2HD1 ILE 43 52.379 68.434 51.034 349 2HD1 ILE 43 1HD1 ILE 43 52.973 68.721 52.715 350 3HD1 ILE 43 3HD1 ILE 43 54.057 69.032 51.325 351 H VAL 44 H VAL 44 50.407 67.501 52.747 352 HA VAL 44 HA VAL 44 48.900 68.510 50.245 353 HB VAL 44 HB VAL 44 48.219 68.523 53.199 354 1HG1 VAL 44 3HG1 VAL 44 47.639 70.548 50.986 355 2HG1 VAL 44 2HG1 VAL 44 46.377 70.232 52.185 356 3HG1 VAL 44 1HG1 VAL 44 48.010 70.864 52.748 357 1HG2 VAL 44 2HG2 VAL 44 47.314 67.060 51.020 358 2HG2 VAL 44 1HG2 VAL 44 46.316 67.313 52.465 359 3HG2 VAL 44 3HG2 VAL 44 46.117 68.431 51.035 360 H GLN 45 H GLN 45 50.084 69.909 53.449 361 HA GLN 45 HA GLN 45 51.028 71.903 53.887 362 1HB GLN 45 2HB GLN 45 52.559 70.604 51.884 363 2HB GLN 45 1HB GLN 45 52.542 72.324 51.350 364 1HG GLN 45 2HG GLN 45 52.898 72.742 54.025 365 2HG GLN 45 1HG GLN 45 53.666 71.043 53.818 366 1HE2 GLN 45 2HE2 GLN 45 55.301 74.414 52.138 367 2HE2 GLN 45 1HE2 GLN 45 53.566 74.318 52.904 368 H ASP 46 H ASP 46 49.380 73.069 54.091 369 HA ASP 46 HA ASP 46 48.597 74.534 51.606 370 1HB ASP 46 2HB ASP 46 47.356 75.059 54.345 371 2HB ASP 46 1HB ASP 46 46.598 75.015 52.682 372 H GLY 47 H GLY 47 49.956 75.138 54.746 373 1HA GLY 47 1HA GLY 47 51.559 77.378 53.810 374 2HA GLY 47 2HA GLY 47 50.111 78.059 54.759 375 H ASP 48 H ASP 48 49.864 77.776 56.732 376 HA ASP 48 HA ASP 48 52.409 77.264 58.233 377 1HB ASP 48 2HB ASP 48 51.111 78.128 60.234 378 2HB ASP 48 1HB ASP 48 51.113 79.415 58.816 379 H ASN 49 H ASN 49 49.505 75.957 57.444 380 HA ASN 49 HA ASN 49 49.514 73.705 59.463 381 1HB ASN 49 2HB ASN 49 47.147 73.593 57.792 382 2HB ASN 49 1HB ASN 49 47.316 74.027 59.558 383 1HD2 ASN 49 2HD2 ASN 49 46.967 76.831 56.509 384 2HD2 ASN 49 1HD2 ASN 49 47.607 75.053 56.283 385 H PHE 50 H PHE 50 50.678 72.061 58.804 386 HA PHE 50 HA PHE 50 50.454 71.252 55.912 387 1HB PHE 50 2HB PHE 50 52.628 71.942 56.170 388 2HB PHE 50 1HB PHE 50 52.812 71.295 57.833 389 HD1 PHE 50 HD2 PHE 50 51.302 69.478 54.939 390 HD2 PHE 50 HD1 PHE 50 54.555 69.846 57.708 391 HE1 PHE 50 HE2 PHE 50 52.168 67.291 54.170 392 HE2 PHE 50 HE1 PHE 50 55.464 67.615 56.936 393 HZ PHE 50 HZ PHE 50 54.278 66.414 55.222 394 H LYS 51 H LYS 51 49.047 69.558 55.695 395 HA LYS 51 HA LYS 51 49.273 67.536 57.920 396 1HB LYS 51 2HB LYS 51 46.773 67.940 56.238 397 2HB LYS 51 1HB LYS 51 46.935 67.157 57.880 398 1HG LYS 51 2HG LYS 51 46.418 69.242 58.829 399 2HG LYS 51 1HG LYS 51 47.820 69.991 57.971 400 1HD LYS 51 2HD LYS 51 46.430 70.020 55.952 401 2HD LYS 51 1HD LYS 51 44.999 69.327 56.903 402 1HE LYS 51 2HE LYS 51 46.075 71.544 58.314 403 2HE LYS 51 1HE LYS 51 45.823 72.134 56.582 404 1HZ LYS 51 2HZ LYS 51 43.568 70.705 57.157 405 2HZ LYS 51 1HZ LYS 51 43.842 71.461 58.588 406 3HZ LYS 51 3HZ LYS 51 43.686 72.377 57.204 407 H THR 52 H THR 52 50.952 66.461 56.721 408 HA THR 52 HA THR 52 50.360 65.225 54.153 409 HB THR 52 HB THR 52 52.403 65.091 56.329 410 HG1 THR 52 1HG THR 52 53.565 64.552 54.647 411 1HG2 THR 52 3HG2 THR 52 51.249 62.767 56.715 412 2HG2 THR 52 2HG2 THR 52 51.552 62.326 55.000 413 3HG2 THR 52 1HG2 THR 52 52.952 62.637 56.102 414 H LYS 53 H LYS 53 49.811 62.942 53.737 415 HA LYS 53 HA LYS 53 48.456 61.574 55.993 416 1HB LYS 53 2HB LYS 53 46.355 62.595 55.759 417 2HB LYS 53 1HB LYS 53 47.037 63.664 54.500 418 1HG LYS 53 2HG LYS 53 46.552 61.335 53.032 419 2HG LYS 53 1HG LYS 53 45.197 61.359 54.253 420 1HD LYS 53 2HD LYS 53 44.184 62.845 53.019 421 2HD LYS 53 1HD LYS 53 45.533 64.030 53.322 422 1HE LYS 53 2HE LYS 53 45.225 63.704 50.800 423 2HE LYS 53 1HE LYS 53 46.846 63.102 51.450 424 1HZ LYS 53 2HZ LYS 53 45.362 60.887 51.602 425 2HZ LYS 53 1HZ LYS 53 44.443 61.681 50.487 426 3HZ LYS 53 3HZ LYS 53 46.078 61.380 50.197 427 H THR 54 H THR 54 47.795 59.573 55.575 428 HA THR 54 HA THR 54 48.926 58.538 52.980 429 HB THR 54 HB THR 54 49.844 57.790 55.174 430 HG1 THR 54 1HG THR 54 49.991 56.617 53.265 431 1HG2 THR 54 3HG2 THR 54 47.256 57.433 56.182 432 2HG2 THR 54 2HG2 THR 54 47.508 55.834 55.392 433 3HG2 THR 54 1HG2 THR 54 48.640 56.433 56.701 434 H ASN 55 H ASN 55 47.740 57.391 51.563 435 HA ASN 55 HA ASN 55 44.801 57.406 52.099 436 1HB ASN 55 2HB ASN 55 45.997 58.327 50.002 437 2HB ASN 55 1HB ASN 55 45.870 56.526 49.428 438 1HD2 ASN 55 1HD2 ASN 55 42.702 59.136 49.521 439 2HD2 ASN 55 2HD2 ASN 55 44.486 59.555 49.899 440 H SER 56 H SER 56 47.103 55.464 52.874 441 HA SER 56 HA SER 56 46.567 52.832 51.870 442 1HB SER 56 2HB SER 56 46.860 53.379 54.930 443 2HB SER 56 1HB SER 56 47.500 52.003 53.881 444 HG SER 56 HG SER 56 49.123 53.450 54.441 445 H THR 57 H THR 57 44.718 52.334 51.288 446 HA THR 57 HA THR 57 42.225 53.038 51.997 447 HB THR 57 HB THR 57 41.290 51.110 51.104 448 HG1 THR 57 1HG THR 57 41.955 49.410 52.084 449 1HG2 THR 57 1HG2 THR 57 43.259 52.399 49.720 450 2HG2 THR 57 3HG2 THR 57 44.095 50.791 49.850 451 3HG2 THR 57 2HG2 THR 57 42.527 50.892 49.015 452 H PHE 58 H PHE 58 44.237 50.749 53.545 453 HA PHE 58 HA PHE 58 42.470 49.698 55.503 454 1HB PHE 58 2HB PHE 58 45.465 49.939 55.468 455 2HB PHE 58 1HB PHE 58 44.736 49.940 57.124 456 HD1 PHE 58 HD1 PHE 58 42.382 47.898 56.512 457 HD2 PHE 58 HD2 PHE 58 46.557 48.021 55.472 458 HE1 PHE 58 HE1 PHE 58 42.481 45.413 56.351 459 HE2 PHE 58 HE2 PHE 58 46.644 45.595 55.320 460 HZ PHE 58 HZ PHE 58 44.589 44.248 55.767 461 H ARG 59 H ARG 59 44.916 52.129 56.082 462 HA ARG 59 HA ARG 59 42.819 53.733 57.706 463 1HB ARG 59 2HB ARG 59 44.375 52.149 59.205 464 2HB ARG 59 1HB ARG 59 45.529 53.568 59.057 465 1HG ARG 59 2HG ARG 59 42.974 54.758 59.410 466 2HG ARG 59 1HG ARG 59 42.920 53.277 60.481 467 1HD ARG 59 2HD ARG 59 45.275 54.062 61.332 468 2HD ARG 59 1HD ARG 59 44.821 55.661 60.633 469 HE ARG 59 HE ARG 59 42.728 55.636 61.885 470 1HH1 ARG 59 1HH1 ARG 59 45.447 53.420 63.179 471 2HH1 ARG 59 2HH1 ARG 59 44.722 53.491 64.726 472 1HH2 ARG 59 1HH2 ARG 59 42.006 55.532 64.055 473 2HH2 ARG 59 2HH2 ARG 59 42.875 54.618 65.231 474 H ASN 60 H ASN 60 42.846 55.678 57.604 475 HA ASN 60 HA ASN 60 45.202 57.020 56.278 476 1HB ASN 60 2HB ASN 60 42.372 58.153 56.169 477 2HB ASN 60 1HB ASN 60 43.650 58.125 54.808 478 1HD2 ASN 60 1HD2 ASN 60 40.810 55.267 55.290 479 2HD2 ASN 60 2HD2 ASN 60 40.983 56.669 56.339 480 H TYR 61 H TYR 61 46.189 57.740 57.817 481 HA TYR 61 HA TYR 61 45.474 60.214 59.078 482 1HB TYR 61 2HB TYR 61 44.164 59.384 60.768 483 2HB TYR 61 1HB TYR 61 44.742 57.657 60.519 484 HD1 TYR 61 HD1 TYR 61 45.826 60.965 61.778 485 HD2 TYR 61 HD2 TYR 61 46.095 56.728 62.218 486 HE1 TYR 61 HE1 TYR 61 47.205 61.295 63.832 487 HE2 TYR 61 HE2 TYR 61 47.443 56.985 64.218 488 HH TYR 61 HH TYR 61 48.993 58.850 65.108 489 H ASP 62 H ASP 62 47.420 61.172 58.953 490 HA ASP 62 HA ASP 62 49.748 59.588 60.060 491 1HB ASP 62 2HB ASP 62 49.212 60.317 57.295 492 2HB ASP 62 1HB ASP 62 50.768 61.146 57.932 493 H LEU 63 H LEU 63 49.621 62.705 58.379 494 HA LEU 63 HA LEU 63 50.905 63.855 60.880 495 1HB LEU 63 2HB LEU 63 51.957 63.633 58.396 496 2HB LEU 63 1HB LEU 63 51.017 65.145 58.082 497 HG LEU 63 HG LEU 63 52.210 66.263 60.084 498 1HD1 LEU 63 2HD1 LEU 63 52.872 63.477 60.601 499 2HD1 LEU 63 1HD1 LEU 63 54.374 64.485 60.428 500 3HD1 LEU 63 3HD1 LEU 63 53.136 64.997 61.607 501 1HD2 LEU 63 1HD2 LEU 63 53.738 64.908 57.739 502 2HD2 LEU 63 3HD2 LEU 63 53.228 66.667 57.989 503 3HD2 LEU 63 2HD2 LEU 63 54.577 65.904 58.993 504 H ASP 64 H ASP 64 47.849 64.036 60.775 505 HA ASP 64 HA ASP 64 47.336 66.747 59.770 506 1HB ASP 64 2HB ASP 64 46.220 65.198 62.171 507 2HB ASP 64 1HB ASP 64 45.299 66.532 61.158 508 H PHE 65 H PHE 65 48.796 68.217 60.195 509 HA PHE 65 HA PHE 65 49.198 68.960 63.064 510 1HB PHE 65 2HB PHE 65 51.159 67.822 61.076 511 2HB PHE 65 1HB PHE 65 51.710 69.374 61.859 512 HD1 PHE 65 HD1 PHE 65 51.812 69.415 64.500 513 HD2 PHE 65 HD2 PHE 65 51.190 65.865 62.011 514 HE1 PHE 65 HE1 PHE 65 52.495 68.007 66.348 515 HE2 PHE 65 HE2 PHE 65 51.881 64.460 63.884 516 HZ PHE 65 HZ PHE 65 52.529 65.554 66.054 517 H THR 66 H THR 66 50.838 70.779 62.967 518 HA THR 66 HA THR 66 50.568 72.792 60.825 519 HB THR 66 HB THR 66 49.325 72.899 63.644 520 HG1 THR 66 1HG THR 66 47.957 72.603 62.121 521 1HG2 THR 66 1HG2 THR 66 50.122 75.400 61.799 522 2HG2 THR 66 3HG2 THR 66 49.169 75.474 63.310 523 3HG2 THR 66 2HG2 THR 66 50.913 74.981 63.347 524 H VAL 67 H VAL 67 52.108 74.706 61.465 525 HA VAL 67 HA VAL 67 54.400 73.248 62.807 526 HB VAL 67 HB VAL 67 54.089 75.609 60.922 527 1HG1 VAL 67 1HG1 VAL 67 56.269 75.000 62.925 528 2HG1 VAL 67 3HG1 VAL 67 56.744 75.576 61.208 529 3HG1 VAL 67 2HG1 VAL 67 55.673 76.612 62.329 530 1HG2 VAL 67 2HG2 VAL 67 54.898 72.831 60.810 531 2HG2 VAL 67 1HG2 VAL 67 54.836 74.013 59.443 532 3HG2 VAL 67 3HG2 VAL 67 56.345 73.894 60.407 533 H GLY 68 H GLY 68 55.238 73.622 64.619 534 1HA GLY 68 1HA GLY 68 55.803 74.720 66.541 535 2HA GLY 68 2HA GLY 68 55.198 76.288 65.759 536 H VAL 69 H VAL 69 53.311 73.384 66.352 537 HA VAL 69 HA VAL 69 51.690 75.018 68.329 538 HB VAL 69 HB VAL 69 50.789 72.644 66.619 539 1HG1 VAL 69 1HG1 VAL 69 49.327 73.403 68.684 540 2HG1 VAL 69 3HG1 VAL 69 49.128 74.942 67.706 541 3HG1 VAL 69 2HG1 VAL 69 48.486 73.353 67.105 542 1HG2 VAL 69 3HG2 VAL 69 50.672 75.685 66.036 543 2HG2 VAL 69 2HG2 VAL 69 51.516 74.323 65.076 544 3HG2 VAL 69 1HG2 VAL 69 49.721 74.438 65.121 545 H GLU 70 H GLU 70 53.731 73.916 69.325 546 HA GLU 70 HA GLU 70 54.393 71.539 70.186 547 1HB GLU 70 2HB GLU 70 54.482 73.934 71.468 548 2HB GLU 70 1HB GLU 70 53.304 73.034 72.534 549 1HG GLU 70 2HG GLU 70 54.810 71.029 72.406 550 2HG GLU 70 1HG GLU 70 56.167 72.270 71.950 551 H PHE 71 H PHE 71 53.122 70.096 69.464 552 HA PHE 71 HA PHE 71 50.457 69.503 70.367 553 1HB PHE 71 2HB PHE 71 52.495 67.841 69.018 554 2HB PHE 71 1HB PHE 71 51.441 66.907 70.121 555 HD1 PHE 71 HD2 PHE 71 50.578 69.984 68.059 556 HD2 PHE 71 HD1 PHE 71 50.025 65.795 68.743 557 HE1 PHE 71 HE2 PHE 71 48.769 69.971 66.378 558 HE2 PHE 71 HE1 PHE 71 48.269 65.775 67.113 559 HZ PHE 71 HZ PHE 71 47.560 67.802 65.864 560 H ASP 72 H ASP 72 50.280 69.851 72.530 561 HA ASP 72 HA ASP 72 51.949 68.487 74.539 562 1HB ASP 72 2HB ASP 72 49.890 70.469 74.395 563 2HB ASP 72 1HB ASP 72 49.163 69.123 75.473 564 H GLU 73 H GLU 73 52.091 66.539 73.585 565 HA GLU 73 HA GLU 73 51.700 64.218 73.592 566 1HB GLU 73 2HB GLU 73 51.118 63.892 75.756 567 2HB GLU 73 1HB GLU 73 50.248 65.433 75.818 568 1HG GLU 73 2HG GLU 73 48.304 64.213 74.536 569 2HG GLU 73 1HG GLU 73 49.210 62.614 74.919 570 H HIS 74 H HIS 74 50.761 62.708 72.729 571 HA HIS 74 HA HIS 74 48.124 62.690 71.772 572 1HB HIS 74 2HB HIS 74 49.821 64.555 70.257 573 2HB HIS 74 1HB HIS 74 49.511 63.131 69.181 574 HD1 HIS 74 HD1 HIS 74 47.160 64.617 71.881 575 HD2 HIS 74 HD2 HIS 74 47.389 64.044 67.699 576 HE1 HIS 74 HE1 HIS 74 44.912 65.322 70.895 577 HE2 HIS 74 HE2 HIS 74 45.037 64.992 68.429 578 H THR 75 H THR 75 48.992 60.797 72.733 579 HA THR 75 HA THR 75 49.521 58.719 70.595 580 HB THR 75 HB THR 75 50.755 57.383 72.243 581 HG1 THR 75 1HG THR 75 50.159 59.676 73.714 582 1HG2 THR 75 1HG2 THR 75 51.528 60.266 71.399 583 2HG2 THR 75 3HG2 THR 75 52.627 59.557 72.674 584 3HG2 THR 75 2HG2 THR 75 52.492 58.729 71.090 585 H LYS 76 H LYS 76 47.812 57.567 70.549 586 HA LYS 76 HA LYS 76 46.725 56.225 72.989 587 1HB LYS 76 2HB LYS 76 44.545 57.583 71.285 588 2HB LYS 76 1HB LYS 76 44.579 57.152 73.032 589 1HG LYS 76 2HG LYS 76 46.042 59.025 73.579 590 2HG LYS 76 1HG LYS 76 46.297 59.385 71.832 591 1HD LYS 76 2HD LYS 76 43.466 59.288 72.330 592 2HD LYS 76 1HD LYS 76 44.288 60.360 73.597 593 1HE LYS 76 2HE LYS 76 44.556 60.599 70.566 594 2HE LYS 76 1HE LYS 76 43.767 61.808 71.677 595 1HZ LYS 76 1HZ LYS 76 46.027 61.652 72.881 596 2HZ LYS 76 3HZ LYS 76 46.675 61.198 71.428 597 3HZ LYS 76 2HZ LYS 76 45.916 62.669 71.548 598 H GLY 77 H GLY 77 45.680 57.104 69.845 599 1HA GLY 77 1HA GLY 77 44.345 54.787 69.045 600 2HA GLY 77 2HA GLY 77 45.230 55.833 67.846 601 H LEU 78 H LEU 78 47.749 55.529 68.968 602 HA LEU 78 HA LEU 78 48.484 52.722 68.038 603 1HB LEU 78 2HB LEU 78 48.851 54.909 66.711 604 2HB LEU 78 1HB LEU 78 50.235 55.209 67.866 605 HG LEU 78 HG LEU 78 50.583 52.534 67.292 606 1HD1 LEU 78 3HD1 LEU 78 48.741 52.869 65.477 607 2HD1 LEU 78 2HD1 LEU 78 50.055 53.614 64.502 608 3HD1 LEU 78 1HD1 LEU 78 50.245 51.901 65.166 609 1HD2 LEU 78 2HD2 LEU 78 52.021 54.901 67.142 610 2HD2 LEU 78 1HD2 LEU 78 52.628 53.333 66.479 611 3HD2 LEU 78 3HD2 LEU 78 51.900 54.587 65.379 612 H ASP 79 H ASP 79 48.154 53.742 70.955 613 HA ASP 79 HA ASP 79 50.376 52.418 72.024 614 1HB ASP 79 2HB ASP 79 52.009 53.836 71.368 615 2HB ASP 79 1HB ASP 79 50.950 55.369 71.488 616 H GLY 80 H GLY 80 49.506 55.696 73.116 617 1HA GLY 80 1HA GLY 80 47.823 56.299 74.667 618 2HA GLY 80 2HA GLY 80 47.880 54.559 75.344 619 H ARG 81 H ARG 81 49.490 57.534 74.725 620 HA ARG 81 HA ARG 81 50.686 57.521 77.452 621 1HB ARG 81 2HB ARG 81 52.305 56.353 75.800 622 2HB ARG 81 1HB ARG 81 52.618 58.063 75.142 623 1HG ARG 81 2HG ARG 81 54.295 57.479 76.971 624 2HG ARG 81 1HG ARG 81 53.151 58.683 77.610 625 1HD ARG 81 2HD ARG 81 52.265 57.245 79.101 626 2HD ARG 81 1HD ARG 81 52.267 55.799 77.958 627 HE ARG 81 HE ARG 81 54.934 56.497 78.867 628 1HH1 ARG 81 2HH1 ARG 81 51.894 54.741 79.502 629 2HH1 ARG 81 1HH1 ARG 81 52.644 53.508 80.508 630 1HH2 ARG 81 1HH2 ARG 81 55.931 54.950 80.141 631 2HH2 ARG 81 2HH2 ARG 81 55.100 53.635 80.903 632 H ASN 82 H ASN 82 52.766 59.780 76.085 633 HA ASN 82 HA ASN 82 51.052 61.835 75.293 634 1HB ASN 82 2HB ASN 82 51.274 63.124 77.684 635 2HB ASN 82 1HB ASN 82 49.854 61.907 77.426 636 1HD2 ASN 82 1HD2 ASN 82 50.678 60.497 80.341 637 2HD2 ASN 82 2HD2 ASN 82 49.603 61.516 79.419 638 H VAL 83 H VAL 83 52.436 62.607 74.151 639 HA VAL 83 HA VAL 83 55.075 63.627 75.346 640 HB VAL 83 HB VAL 83 54.487 62.296 72.684 641 1HG1 VAL 83 1HG1 VAL 83 56.840 63.816 73.530 642 2HG1 VAL 83 3HG1 VAL 83 57.321 62.094 73.216 643 3HG1 VAL 83 2HG1 VAL 83 56.486 63.108 71.906 644 1HG2 VAL 83 2HG2 VAL 83 55.456 61.302 75.393 645 2HG2 VAL 83 1HG2 VAL 83 54.485 60.476 74.096 646 3HG2 VAL 83 3HG2 VAL 83 56.271 60.568 73.902 647 H LYS 84 H LYS 84 55.729 65.440 74.975 648 HA LYS 84 HA LYS 84 54.276 67.432 73.427 649 1HB LYS 84 2HB LYS 84 57.056 67.307 74.627 650 2HB LYS 84 1HB LYS 84 56.623 68.605 73.402 651 1HG LYS 84 2HG LYS 84 54.766 69.412 74.807 652 2HG LYS 84 1HG LYS 84 54.776 67.821 75.742 653 1HD LYS 84 2HD LYS 84 57.362 69.335 75.680 654 2HD LYS 84 1HD LYS 84 56.032 70.175 76.563 655 1HE LYS 84 2HE LYS 84 55.632 67.652 77.687 656 2HE LYS 84 1HE LYS 84 57.258 67.354 76.936 657 1HZ LYS 84 1HZ LYS 84 58.122 69.343 78.196 658 2HZ LYS 84 3HZ LYS 84 56.647 69.353 78.991 659 3HZ LYS 84 2HZ LYS 84 57.678 68.046 79.129 660 H THR 85 H THR 85 53.918 67.172 71.399 661 HA THR 85 HA THR 85 56.145 66.177 69.592 662 HB THR 85 HB THR 85 53.095 65.970 69.760 663 HG1 THR 85 1HG THR 85 54.945 64.004 69.705 664 1HG2 THR 85 3HG2 THR 85 54.111 65.966 67.113 665 2HG2 THR 85 2HG2 THR 85 55.167 64.607 67.821 666 3HG2 THR 85 1HG2 THR 85 53.416 64.388 67.752 667 H LEU 86 H LEU 86 56.829 68.330 70.009 668 HA LEU 86 HA LEU 86 55.575 70.443 68.465 669 1HB LEU 86 2HB LEU 86 57.454 70.764 70.234 670 2HB LEU 86 1HB LEU 86 58.593 70.086 68.960 671 HG LEU 86 HG LEU 86 57.155 72.266 67.741 672 1HD1 LEU 86 3HD1 LEU 86 58.109 72.574 70.551 673 2HD1 LEU 86 2HD1 LEU 86 59.083 73.600 69.406 674 3HD1 LEU 86 1HD1 LEU 86 57.302 73.833 69.438 675 1HD2 LEU 86 3HD2 LEU 86 59.289 70.940 67.184 676 2HD2 LEU 86 2HD2 LEU 86 59.387 72.713 66.940 677 3HD2 LEU 86 1HD2 LEU 86 60.113 71.936 68.456 678 H VAL 87 H VAL 87 55.848 71.239 66.630 679 HA VAL 87 HA VAL 87 57.338 69.725 64.511 680 HB VAL 87 HB VAL 87 54.608 71.269 64.313 681 1HG1 VAL 87 2HG1 VAL 87 56.316 69.637 62.399 682 2HG1 VAL 87 1HG1 VAL 87 54.569 69.684 62.147 683 3HG1 VAL 87 3HG1 VAL 87 55.506 71.233 62.143 684 1HG2 VAL 87 3HG2 VAL 87 55.329 68.445 65.259 685 2HG2 VAL 87 2HG2 VAL 87 53.789 69.360 65.455 686 3HG2 VAL 87 1HG2 VAL 87 54.218 68.463 63.907 687 H THR 88 H THR 88 58.318 70.926 62.941 688 HA THR 88 HA THR 88 57.909 73.787 62.796 689 HB THR 88 HB THR 88 59.408 73.358 64.834 690 HG1 THR 88 1HG THR 88 61.025 74.841 63.314 691 1HG2 THR 88 1HG2 THR 88 61.373 72.672 62.522 692 2HG2 THR 88 3HG2 THR 88 61.917 73.096 64.212 693 3HG2 THR 88 2HG2 THR 88 61.048 71.534 63.838 694 H TRP 89 H TRP 89 59.554 74.705 61.332 695 HA TRP 89 HA TRP 89 59.899 73.097 58.799 696 1HB TRP 89 2HB TRP 89 59.749 76.049 59.709 697 2HB TRP 89 1HB TRP 89 60.461 75.662 58.075 698 HD1 TRP 89 HD1 TRP 89 57.155 76.334 59.511 699 HE1 TRP 89 HE1 TRP 89 55.451 75.145 57.967 700 HE3 TRP 89 HE3 TRP 89 60.323 73.524 56.952 701 HZ2 TRP 89 HZ2 TRP 89 55.570 73.048 55.795 702 HZ3 TRP 89 HZ3 TRP 89 59.613 71.932 55.188 703 HH2 TRP 89 HH2 TRP 89 57.310 71.776 54.749 704 H GLU 90 H GLU 90 62.029 72.794 57.862 705 HA GLU 90 HA GLU 90 64.084 73.295 59.926 706 1HB GLU 90 2HB GLU 90 63.356 71.063 58.542 707 2HB GLU 90 1HB GLU 90 64.428 71.783 57.303 708 1HG GLU 90 2HG GLU 90 65.742 71.578 60.083 709 2HG GLU 90 1HG GLU 90 65.234 70.034 59.175 710 H GLY 91 H GLY 91 63.049 73.918 56.725 711 1HA GLY 91 1HA GLY 91 63.812 76.401 56.239 712 2HA GLY 91 2HA GLY 91 65.321 75.521 55.697 713 H ASN 92 H ASN 92 64.336 73.188 55.109 714 HA ASN 92 HA ASN 92 62.731 73.558 52.570 715 1HB ASN 92 2HB ASN 92 64.145 71.413 51.945 716 2HB ASN 92 1HB ASN 92 65.037 73.072 51.919 717 1HD2 ASN 92 1HD2 ASN 92 67.404 71.147 53.660 718 2HD2 ASN 92 2HD2 ASN 92 66.906 71.663 52.067 719 H THR 93 H THR 93 62.638 72.282 55.613 720 HA THR 93 HA THR 93 60.617 70.299 54.753 721 HB THR 93 HB THR 93 62.943 69.229 54.548 722 HG1 THR 93 1HG THR 93 61.452 67.858 54.424 723 1HG2 THR 93 2HG2 THR 93 63.683 69.930 56.959 724 2HG2 THR 93 1HG2 THR 93 62.350 68.862 57.633 725 3HG2 THR 93 3HG2 THR 93 63.767 68.156 56.813 726 H LEU 94 H LEU 94 60.016 68.796 56.341 727 HA LEU 94 HA LEU 94 59.194 70.271 58.763 728 1HB LEU 94 2HB LEU 94 57.391 69.396 57.317 729 2HB LEU 94 1HB LEU 94 57.889 67.706 57.735 730 HG LEU 94 HG LEU 94 57.902 68.777 60.180 731 1HD1 LEU 94 3HD1 LEU 94 56.092 70.640 58.614 732 2HD1 LEU 94 2HD1 LEU 94 55.298 69.851 60.026 733 3HD1 LEU 94 1HD1 LEU 94 56.767 70.795 60.341 734 1HD2 LEU 94 1HD2 LEU 94 56.439 66.896 58.840 735 2HD2 LEU 94 3HD2 LEU 94 56.107 67.289 60.577 736 3HD2 LEU 94 2HD2 LEU 94 55.087 68.030 59.252 737 H VAL 95 H VAL 95 60.274 70.195 60.393 738 HA VAL 95 HA VAL 95 61.653 67.761 61.299 739 HB VAL 95 HB VAL 95 61.704 70.798 62.001 740 1HG1 VAL 95 3HG1 VAL 95 63.330 68.583 63.289 741 2HG1 VAL 95 2HG1 VAL 95 63.655 70.326 63.593 742 3HG1 VAL 95 1HG1 VAL 95 62.121 69.583 64.147 743 1HG2 VAL 95 1HG2 VAL 95 63.227 69.132 60.152 744 2HG2 VAL 95 3HG2 VAL 95 63.423 70.924 60.486 745 3HG2 VAL 95 2HG2 VAL 95 64.378 69.763 61.470 746 H CYS 96 H CYS 96 60.756 66.777 63.189 747 HA CYS 96 HA CYS 96 59.308 68.581 65.016 748 1HB CYS 96 2HB CYS 96 58.061 65.828 64.781 749 2HB CYS 96 1HB CYS 96 57.202 67.379 64.797 750 HG CYS 96 HG CYS 96 56.795 67.496 62.508 751 H VAL 97 H VAL 97 59.179 67.842 67.137 752 HA VAL 97 HA VAL 97 61.121 65.668 67.866 753 HB VAL 97 HB VAL 97 61.648 67.218 69.829 754 1HG1 VAL 97 2HG1 VAL 97 62.653 67.260 66.950 755 2HG1 VAL 97 1HG1 VAL 97 63.015 68.766 67.900 756 3HG1 VAL 97 3HG1 VAL 97 63.591 67.107 68.459 757 1HG2 VAL 97 2HG2 VAL 97 59.909 68.765 69.571 758 2HG2 VAL 97 1HG2 VAL 97 61.520 69.650 69.330 759 3HG2 VAL 97 3HG2 VAL 97 60.514 69.306 67.914 760 H GLN 98 H GLN 98 60.022 64.163 68.709 761 HA GLN 98 HA GLN 98 57.748 64.621 70.638 762 1HB GLN 98 2HB GLN 98 59.290 62.168 69.730 763 2HB GLN 98 1HB GLN 98 57.849 62.068 70.865 764 1HG GLN 98 2HG GLN 98 57.084 63.666 68.502 765 2HG GLN 98 1HG GLN 98 57.754 62.088 67.939 766 1HE2 GLN 98 1HE2 GLN 98 54.390 61.294 68.130 767 2HE2 GLN 98 2HE2 GLN 98 55.674 62.057 67.181 768 H LYS 99 H LYS 99 58.165 65.326 72.426 769 HA LYS 99 HA LYS 99 60.695 65.206 73.718 770 1HB LYS 99 2HB LYS 99 59.048 66.650 74.603 771 2HB LYS 99 1HB LYS 99 57.926 65.343 75.077 772 1HG LYS 99 2HG LYS 99 59.036 65.888 77.124 773 2HG LYS 99 1HG LYS 99 60.134 64.559 76.594 774 1HD LYS 99 2HD LYS 99 61.436 66.638 75.434 775 2HD LYS 99 1HD LYS 99 60.449 67.617 76.644 776 1HE LYS 99 2HE LYS 99 62.304 67.125 77.978 777 2HE LYS 99 1HE LYS 99 61.392 65.562 78.179 778 1HZ LYS 99 1HZ LYS 99 63.072 65.736 75.809 779 2HZ LYS 99 3HZ LYS 99 63.871 65.609 77.272 780 3HZ LYS 99 2HZ LYS 99 62.747 64.447 76.805 781 H GLY 100 H GLY 100 58.012 63.392 75.071 782 1HA GLY 100 1HA GLY 100 57.846 61.100 75.782 783 2HA GLY 100 2HA GLY 100 59.421 60.745 74.979 784 H GLU 101 H GLU 101 58.508 59.849 77.339 785 HA GLU 101 HA GLU 101 60.130 61.204 79.491 786 1HB GLU 101 2HB GLU 101 58.042 60.857 80.564 787 2HB GLU 101 1HB GLU 101 57.569 59.644 79.351 788 1HG GLU 101 2HG GLU 101 58.835 57.855 80.522 789 2HG GLU 101 1HG GLU 101 59.574 59.155 81.615 790 H LYS 102 H LYS 102 59.941 58.605 77.386 791 HA LYS 102 HA LYS 102 62.377 57.236 78.473 792 1HB LYS 102 2HB LYS 102 61.142 55.009 77.731 793 2HB LYS 102 1HB LYS 102 60.713 55.750 79.350 794 1HG LYS 102 2HG LYS 102 58.534 55.711 78.695 795 2HG LYS 102 1HG LYS 102 58.894 56.951 77.469 796 1HD LYS 102 2HD LYS 102 57.870 55.058 76.323 797 2HD LYS 102 1HD LYS 102 59.603 54.993 75.881 798 1HE LYS 102 2HE LYS 102 59.556 52.826 76.597 799 2HE LYS 102 1HE LYS 102 59.667 53.562 78.232 800 1HZ LYS 102 2HZ LYS 102 56.991 53.663 77.417 801 2HZ LYS 102 1HZ LYS 102 57.508 52.176 76.877 802 3HZ LYS 102 3HZ LYS 102 57.545 52.546 78.496 803 H GLU 103 H GLU 103 59.907 57.253 75.893 804 HA GLU 103 HA GLU 103 62.033 56.416 73.948 805 1HB GLU 103 2HB GLU 103 60.175 55.986 72.386 806 2HB GLU 103 1HB GLU 103 59.552 55.427 73.985 807 1HG GLU 103 2HG GLU 103 58.608 57.652 74.438 808 2HG GLU 103 1HG GLU 103 58.789 58.040 72.613 809 H ASN 104 H ASN 104 61.891 57.169 71.799 810 HA ASN 104 HA ASN 104 61.477 60.117 71.771 811 1HB ASN 104 2HB ASN 104 63.756 58.192 71.177 812 2HB ASN 104 1HB ASN 104 63.558 59.518 69.891 813 1HD2 ASN 104 2HD2 ASN 104 65.814 61.076 72.202 814 2HD2 ASN 104 1HD2 ASN 104 65.628 60.003 70.672 815 H ARG 105 H ARG 105 59.432 59.999 70.647 816 HA ARG 105 HA ARG 105 59.203 58.098 68.399 817 1HB ARG 105 2HB ARG 105 57.083 59.785 69.969 818 2HB ARG 105 1HB ARG 105 56.779 58.941 68.423 819 1HG ARG 105 2HG ARG 105 58.296 57.503 70.643 820 2HG ARG 105 1HG ARG 105 56.472 57.764 70.756 821 1HD ARG 105 2HD ARG 105 56.681 56.932 68.141 822 2HD ARG 105 1HD ARG 105 57.979 55.922 68.913 823 HE ARG 105 HE ARG 105 56.230 54.779 70.034 824 1HH1 ARG 105 2HH2 ARG 105 55.044 57.945 68.782 825 2HH1 ARG 105 1HH2 ARG 105 53.386 57.742 69.160 826 1HH2 ARG 105 1HH1 ARG 105 54.061 54.451 70.551 827 2HH2 ARG 105 2HH1 ARG 105 52.754 55.585 70.260 828 H GLY 106 H GLY 106 60.554 60.808 68.842 829 1HA GLY 106 1HA GLY 106 59.766 62.827 67.069 830 2HA GLY 106 2HA GLY 106 61.473 62.268 67.231 831 H TRP 107 H TRP 107 58.956 62.671 65.293 832 HA TRP 107 HA TRP 107 60.158 61.122 63.070 833 1HB TRP 107 2HB TRP 107 58.057 60.445 62.210 834 2HB TRP 107 1HB TRP 107 57.421 60.779 63.906 835 HD1 TRP 107 HD1 TRP 107 57.680 62.085 60.343 836 HE1 TRP 107 HE1 TRP 107 56.247 64.270 60.101 837 HE3 TRP 107 HE3 TRP 107 56.662 62.765 65.175 838 HZ2 TRP 107 HZ2 TRP 107 55.005 65.840 61.726 839 HZ3 TRP 107 HZ3 TRP 107 55.296 64.712 65.830 840 HH2 TRP 107 HH2 TRP 107 54.470 66.228 64.164 841 H LYS 108 H LYS 108 60.276 61.824 61.153 842 HA LYS 108 HA LYS 108 59.662 64.603 60.575 843 1HB LYS 108 2HB LYS 108 62.438 64.786 60.083 844 2HB LYS 108 1HB LYS 108 61.696 65.386 61.625 845 1HG LYS 108 2HG LYS 108 62.037 62.958 62.554 846 2HG LYS 108 1HG LYS 108 63.092 62.720 61.070 847 1HD LYS 108 2HD LYS 108 64.662 63.416 62.728 848 2HD LYS 108 1HD LYS 108 64.250 64.999 61.989 849 1HE LYS 108 2HE LYS 108 62.185 64.571 63.832 850 2HE LYS 108 1HE LYS 108 63.612 63.721 64.686 851 1HZ LYS 108 2HZ LYS 108 64.825 65.856 64.292 852 2HZ LYS 108 1HZ LYS 108 63.456 66.478 63.638 853 3HZ LYS 108 3HZ LYS 108 63.482 66.110 65.272 854 H GLN 109 H GLN 109 60.793 65.579 58.801 855 HA GLN 109 HA GLN 109 61.276 63.492 56.633 856 1HB GLN 109 2HB GLN 109 60.013 65.802 55.469 857 2HB GLN 109 1HB GLN 109 59.297 64.082 55.554 858 1HG GLN 109 2HG GLN 109 58.958 65.918 57.994 859 2HG GLN 109 1HG GLN 109 57.960 66.125 56.427 860 1HE2 GLN 109 2HE2 GLN 109 57.106 63.128 58.848 861 2HE2 GLN 109 1HE2 GLN 109 58.231 64.564 59.292 862 H TRP 110 H TRP 110 62.371 64.338 54.723 863 HA TRP 110 HA TRP 110 63.438 67.136 55.017 864 1HB TRP 110 2HB TRP 110 65.718 65.769 54.491 865 2HB TRP 110 1HB TRP 110 65.171 66.528 56.075 866 HD1 TRP 110 HD1 TRP 110 64.757 62.998 54.356 867 HE1 TRP 110 HE1 TRP 110 64.828 61.290 56.362 868 HE3 TRP 110 HE3 TRP 110 65.132 66.306 57.959 869 HZ2 TRP 110 HZ2 TRP 110 65.055 61.582 59.106 870 HZ3 TRP 110 HZ3 TRP 110 65.288 65.673 60.336 871 HH2 TRP 110 HH2 TRP 110 65.255 63.313 60.858 872 H VAL 111 H VAL 111 61.883 65.196 52.987 873 HA VAL 111 HA VAL 111 61.872 64.866 50.673 874 HB VAL 111 HB VAL 111 62.866 67.743 50.691 875 1HG1 VAL 111 1HG1 VAL 111 61.789 66.181 48.615 876 2HG1 VAL 111 3HG1 VAL 111 60.404 67.151 49.134 877 3HG1 VAL 111 2HG1 VAL 111 61.904 68.022 48.673 878 1HG2 VAL 111 3HG2 VAL 111 60.600 66.657 52.245 879 2HG2 VAL 111 2HG2 VAL 111 61.390 68.288 52.234 880 3HG2 VAL 111 1HG2 VAL 111 60.037 67.959 51.055 881 H GLU 112 H GLU 112 64.127 63.784 51.389 882 HA GLU 112 HA GLU 112 66.522 64.838 50.440 883 1HB GLU 112 2HB GLU 112 65.565 62.153 51.342 884 2HB GLU 112 1HB GLU 112 67.065 62.213 50.333 885 1HG GLU 112 2HG GLU 112 66.565 64.167 52.603 886 2HG GLU 112 1HG GLU 112 67.208 62.400 52.891 887 H GLY 113 H GLY 113 66.814 65.462 48.520 888 1HA GLY 113 1HA GLY 113 67.133 65.542 46.168 889 2HA GLY 113 2HA GLY 113 67.213 63.738 46.250 890 H ASP 114 H ASP 114 65.373 62.530 45.998 891 HA ASP 114 HA ASP 114 63.084 63.989 44.664 892 1HB ASP 114 2HB ASP 114 64.994 61.767 43.715 893 2HB ASP 114 1HB ASP 114 63.307 61.910 42.930 894 H LYS 115 H LYS 115 62.831 63.185 47.190 895 HA LYS 115 HA LYS 115 60.427 61.707 47.206 896 1HB LYS 115 2HB LYS 115 61.094 59.551 48.196 897 2HB LYS 115 1HB LYS 115 61.938 59.715 46.603 898 1HG LYS 115 2HG LYS 115 63.672 60.922 48.654 899 2HG LYS 115 1HG LYS 115 63.141 59.215 49.081 900 1HD LYS 115 2HD LYS 115 63.988 58.290 47.090 901 2HD LYS 115 1HD LYS 115 63.921 59.827 46.194 902 1HE LYS 115 2HE LYS 115 65.909 60.623 47.238 903 2HE LYS 115 1HE LYS 115 65.595 59.595 48.714 904 1HZ LYS 115 1HZ LYS 115 66.349 58.466 46.036 905 2HZ LYS 115 3HZ LYS 115 67.502 58.780 47.182 906 3HZ LYS 115 2HZ LYS 115 66.346 57.639 47.478 907 H LEU 116 H LEU 116 59.791 60.995 49.349 908 HA LEU 116 HA LEU 116 60.988 63.075 51.210 909 1HB LEU 116 2HB LEU 116 58.780 63.569 50.312 910 2HB LEU 116 1HB LEU 116 58.054 62.073 51.075 911 HG LEU 116 HG LEU 116 59.629 63.578 52.981 912 1HD1 LEU 116 1HD1 LEU 116 57.509 65.042 51.309 913 2HD1 LEU 116 3HD1 LEU 116 57.230 65.092 53.069 914 3HD1 LEU 116 2HD1 LEU 116 58.843 65.684 52.386 915 1HD2 LEU 116 1HD2 LEU 116 57.483 61.768 52.984 916 2HD2 LEU 116 3HD2 LEU 116 58.167 62.601 54.424 917 3HD2 LEU 116 2HD2 LEU 116 56.741 63.338 53.638 918 H TYR 117 H TYR 117 62.437 61.692 51.944 919 HA TYR 117 HA TYR 117 61.774 59.220 53.199 920 1HB TYR 117 2HB TYR 117 63.936 61.407 53.593 921 2HB TYR 117 1HB TYR 117 63.798 60.087 54.793 922 HD1 TYR 117 HD1 TYR 117 62.827 58.153 52.036 923 HD2 TYR 117 HD2 TYR 117 66.325 60.505 53.034 924 HE1 TYR 117 HE1 TYR 117 64.145 56.880 50.509 925 HE2 TYR 117 HE2 TYR 117 67.593 59.195 51.480 926 HH TYR 117 HH TYR 117 67.240 56.574 50.531 927 H LEU 118 H LEU 118 60.293 58.773 54.459 928 HA LEU 118 HA LEU 118 59.677 60.741 56.692 929 1HB LEU 118 2HB LEU 118 58.051 59.172 54.967 930 2HB LEU 118 1HB LEU 118 58.015 58.201 56.524 931 HG LEU 118 HG LEU 118 57.049 61.077 56.131 932 1HD1 LEU 118 1HD1 LEU 118 56.014 58.390 56.504 933 2HD1 LEU 118 3HD1 LEU 118 55.402 59.499 57.764 934 3HD1 LEU 118 2HD1 LEU 118 55.102 59.868 55.987 935 1HD2 LEU 118 1HD2 LEU 118 58.020 59.509 58.657 936 2HD2 LEU 118 3HD2 LEU 118 58.391 61.183 58.198 937 3HD2 LEU 118 2HD2 LEU 118 56.680 60.735 58.720 938 H GLU 119 H GLU 119 61.957 60.057 57.099 939 HA GLU 119 HA GLU 119 62.581 57.660 58.602 940 1HB GLU 119 2HB GLU 119 63.789 60.406 58.091 941 2HB GLU 119 1HB GLU 119 64.350 59.514 59.565 942 1HG GLU 119 2HG GLU 119 64.977 57.563 58.263 943 2HG GLU 119 1HG GLU 119 64.113 58.279 56.799 944 H LEU 120 H LEU 120 62.546 57.174 60.665 945 HA LEU 120 HA LEU 120 61.666 59.280 62.542 946 1HB LEU 120 2HB LEU 120 59.580 58.707 63.065 947 2HB LEU 120 1HB LEU 120 59.543 58.161 61.311 948 HG LEU 120 HG LEU 120 60.476 55.896 62.712 949 1HD1 LEU 120 2HD1 LEU 120 59.500 57.129 64.799 950 2HD1 LEU 120 1HD1 LEU 120 57.866 57.052 63.941 951 3HD1 LEU 120 3HD1 LEU 120 58.688 55.547 64.510 952 1HD2 LEU 120 3HD2 LEU 120 57.775 56.661 61.506 953 2HD2 LEU 120 2HD2 LEU 120 59.034 55.610 60.787 954 3HD2 LEU 120 1HD2 LEU 120 58.098 55.016 62.178 955 H THR 121 H THR 121 61.442 58.539 64.664 956 HA THR 121 HA THR 121 62.921 55.960 65.255 957 HB THR 121 HB THR 121 64.589 57.981 65.201 958 HG1 THR 121 1HG THR 121 65.685 57.016 66.679 959 1HG2 THR 121 1HG2 THR 121 62.711 59.361 66.757 960 2HG2 THR 121 3HG2 THR 121 63.563 58.507 68.092 961 3HG2 THR 121 2HG2 THR 121 64.524 59.544 66.926 962 H CYS 122 H CYS 122 62.470 55.099 67.380 963 HA CYS 122 HA CYS 122 60.053 56.351 68.706 964 1HB CYS 122 2HB CYS 122 59.831 53.492 68.406 965 2HB CYS 122 1HB CYS 122 58.731 54.666 67.688 966 HG CYS 122 HG CYS 122 59.176 53.519 65.598 967 H GLY 123 H GLY 123 62.799 56.087 69.246 968 1HA GLY 123 1HA GLY 123 63.461 56.080 71.679 969 2HA GLY 123 2HA GLY 123 62.643 54.433 71.741 970 H ASP 124 H ASP 124 63.494 52.964 69.965 971 HA ASP 124 HA ASP 124 66.366 53.085 69.279 972 1HB ASP 124 2HB ASP 124 65.382 51.674 71.731 973 2HB ASP 124 1HB ASP 124 66.493 50.687 70.655 974 H GLN 125 H GLN 125 64.882 53.123 67.549 975 HA GLN 125 HA GLN 125 64.450 50.236 66.687 976 1HB GLN 125 2HB GLN 125 62.335 51.846 67.420 977 2HB GLN 125 1HB GLN 125 62.368 52.054 65.620 978 1HG GLN 125 2HG GLN 125 60.899 50.152 66.093 979 2HG GLN 125 1HG GLN 125 62.489 49.650 65.274 980 1HE2 GLN 125 1HE2 GLN 125 63.321 47.446 67.792 981 2HE2 GLN 125 2HE2 GLN 125 63.174 47.962 65.991 982 H VAL 126 H VAL 126 64.161 53.511 65.848 983 HA VAL 126 HA VAL 126 64.478 54.941 64.106 984 HB VAL 126 HB VAL 126 66.826 54.893 64.730 985 1HG1 VAL 126 1HG1 VAL 126 66.953 52.152 63.273 986 2HG1 VAL 126 3HG1 VAL 126 68.372 53.061 63.878 987 3HG1 VAL 126 2HG1 VAL 126 67.153 52.442 65.086 988 1HG2 VAL 126 1HG2 VAL 126 66.121 55.316 62.107 989 2HG2 VAL 126 3HG2 VAL 126 67.754 55.521 62.778 990 3HG2 VAL 126 2HG2 VAL 126 67.289 53.958 61.906 991 H CYS 127 H CYS 127 62.745 54.416 62.956 992 HA CYS 127 HA CYS 127 62.820 52.328 60.848 993 1HB CYS 127 2HB CYS 127 60.995 54.865 61.103 994 2HB CYS 127 1HB CYS 127 60.648 53.441 60.134 995 HG CYS 127 HG CYS 127 60.499 54.012 63.345 996 H ARG 128 H ARG 128 63.620 52.363 58.929 997 HA ARG 128 HA ARG 128 64.581 55.133 57.969 998 1HB ARG 128 2HB ARG 128 65.510 52.286 57.769 999 2HB ARG 128 1HB ARG 128 65.870 53.391 56.357 1000 1HG ARG 128 2HG ARG 128 66.443 54.590 58.995 1001 2HG ARG 128 1HG ARG 128 67.565 53.252 58.533 1002 1HD ARG 128 2HD ARG 128 67.882 54.387 56.273 1003 2HD ARG 128 1HD ARG 128 66.795 55.785 56.829 1004 HE ARG 128 HE ARG 128 68.484 56.675 57.913 1005 1HH1 ARG 128 1HH2 ARG 128 69.479 53.220 57.274 1006 2HH1 ARG 128 2HH2 ARG 128 71.073 53.522 57.860 1007 1HH2 ARG 128 2HH1 ARG 128 70.792 56.879 58.692 1008 2HH2 ARG 128 1HH1 ARG 128 71.811 55.459 58.633 1009 H GLN 129 H GLN 129 62.389 55.684 57.331 1010 HA GLN 129 HA GLN 129 61.203 53.992 55.326 1011 1HB GLN 129 2HB GLN 129 60.886 57.078 55.639 1012 2HB GLN 129 1HB GLN 129 59.852 55.933 54.614 1013 1HG GLN 129 2HG GLN 129 60.310 55.579 57.590 1014 2HG GLN 129 1HG GLN 129 58.752 56.301 56.815 1015 1HE2 GLN 129 2HE2 GLN 129 59.171 52.372 57.501 1016 2HE2 GLN 129 1HE2 GLN 129 59.982 53.739 58.327 1017 H VAL 130 H VAL 130 60.697 54.476 53.075 1018 HA VAL 130 HA VAL 130 62.930 55.767 51.638 1019 HB VAL 130 HB VAL 130 62.318 53.088 50.457 1020 1HG1 VAL 130 1HG1 VAL 130 64.386 54.665 50.137 1021 2HG1 VAL 130 3HG1 VAL 130 65.021 53.929 51.624 1022 3HG1 VAL 130 2HG1 VAL 130 64.643 52.877 50.145 1023 1HG2 VAL 130 3HG2 VAL 130 61.939 52.544 52.933 1024 2HG2 VAL 130 2HG2 VAL 130 63.170 51.587 52.007 1025 3HG2 VAL 130 1HG2 VAL 130 63.703 52.914 53.145 1026 H PHE 131 H PHE 131 61.849 57.014 50.546 1027 HA PHE 131 HA PHE 131 59.202 56.339 49.267 1028 1HB PHE 131 2HB PHE 131 60.780 58.699 50.347 1029 2HB PHE 131 1HB PHE 131 59.420 59.006 49.137 1030 HD1 PHE 131 HD1 PHE 131 59.893 56.667 52.189 1031 HD2 PHE 131 HD2 PHE 131 57.599 59.764 50.167 1032 HE1 PHE 131 HE1 PHE 131 58.156 56.570 54.036 1033 HE2 PHE 131 HE2 PHE 131 55.982 59.591 51.999 1034 HZ PHE 131 HZ PHE 131 56.293 58.023 53.872 1035 H LYS 132 H LYS 132 58.636 57.752 47.511 1036 HA LYS 132 HA LYS 132 60.817 58.461 45.618 1037 1HB LYS 132 2HB LYS 132 60.658 56.480 44.439 1038 2HB LYS 132 1HB LYS 132 59.395 55.905 45.608 1039 1HG LYS 132 2HG LYS 132 57.992 55.910 43.863 1040 2HG LYS 132 1HG LYS 132 58.092 57.741 43.622 1041 1HD LYS 132 2HD LYS 132 59.408 57.661 41.980 1042 2HD LYS 132 1HD LYS 132 60.383 56.188 42.525 1043 1HE LYS 132 2HE LYS 132 58.274 54.821 41.903 1044 2HE LYS 132 1HE LYS 132 57.538 56.366 41.317 1045 1HZ LYS 132 2HZ LYS 132 60.130 55.984 40.249 1046 2HZ LYS 132 1HZ LYS 132 59.265 54.587 39.947 1047 3HZ LYS 132 3HZ LYS 132 58.682 56.016 39.382 1048 H LYS 133 H LYS 133 60.072 60.308 44.806 1049 HA LYS 133 HA LYS 133 57.294 61.271 45.367 1050 1HB LYS 133 2HB LYS 133 59.450 62.763 44.916 1051 2HB LYS 133 1HB LYS 133 59.149 62.244 43.179 1052 1HG LYS 133 2HG LYS 133 56.808 63.056 43.409 1053 2HG LYS 133 1HG LYS 133 57.165 63.610 45.102 1054 1HD LYS 133 2HD LYS 133 57.327 65.625 43.645 1055 2HD LYS 133 1HD LYS 133 59.031 65.007 43.953 1056 1HE LYS 133 2HE LYS 133 59.354 64.311 41.928 1057 2HE LYS 133 1HE LYS 133 57.648 63.703 41.681 1058 1HZ LYS 133 1HZ LYS 133 57.000 66.138 41.666 1059 2HZ LYS 133 3HZ LYS 133 58.574 66.566 41.331 1060 3HZ LYS 133 2HZ LYS 133 57.689 65.572 40.286 1061 H LYS 134 H LYS 134 55.662 60.394 44.438 1062 HA LYS 134 HA LYS 134 55.345 58.617 42.423 1063 1HB LYS 134 2HB LYS 134 53.103 59.144 42.394 1064 2HB LYS 134 1HB LYS 134 53.596 60.120 43.807 1065 1HG LYS 134 2HG LYS 134 53.420 61.268 40.894 1066 2HG LYS 134 1HG LYS 134 52.060 61.346 42.093 1067 1HD LYS 134 2HD LYS 134 53.446 62.528 43.670 1068 2HD LYS 134 1HD LYS 134 54.925 62.425 42.575 1069 1HE LYS 134 2HE LYS 134 52.423 63.481 41.357 1070 2HE LYS 134 1HE LYS 134 53.265 64.541 42.662 1071 1HZ LYS 134 1HZ LYS 134 55.303 64.054 41.284 1072 2HZ LYS 134 3HZ LYS 134 54.311 63.568 40.011 1073 3HZ LYS 134 2HZ LYS 134 54.220 65.122 40.588 No H/Q in entry = 1073 Start of MODEL 6 1 1H MET 1 1H MET 1 63.855 79.605 47.492 2 2H MET 1 3H MET 1 63.419 79.790 45.928 3 3H MET 1 2H MET 1 62.638 80.693 47.157 4 HA MET 1 HA MET 1 61.070 79.113 46.517 5 1HB MET 1 2HB MET 1 61.894 76.576 46.428 6 2HB MET 1 1HB MET 1 62.081 77.690 45.008 7 1HG MET 1 2HG MET 1 64.529 78.185 46.264 8 2HG MET 1 1HG MET 1 64.301 76.579 46.872 9 1HE MET 1 3HE MET 1 66.288 78.093 45.044 10 2HE MET 1 2HE MET 1 66.809 76.479 45.303 11 3HE MET 1 1HE MET 1 66.670 77.046 43.594 12 H THR 2 H THR 2 62.795 76.490 48.121 13 HA THR 2 HA THR 2 62.645 75.743 50.313 14 HB THR 2 HB THR 2 61.418 78.267 51.391 15 HG1 THR 2 1HG THR 2 63.809 78.902 51.442 16 1HG2 THR 2 2HG2 THR 2 63.945 76.487 52.079 17 2HG2 THR 2 1HG2 THR 2 63.381 77.842 53.114 18 3HG2 THR 2 3HG2 THR 2 62.388 76.369 52.972 19 H LYS 3 H LYS 3 61.283 74.522 51.048 20 HA LYS 3 HA LYS 3 59.115 73.471 51.402 21 1HB LYS 3 2HB LYS 3 58.389 76.354 51.930 22 2HB LYS 3 1HB LYS 3 57.438 74.895 52.523 23 1HG LYS 3 2HG LYS 3 59.172 74.409 54.111 24 2HG LYS 3 1HG LYS 3 60.408 75.248 53.120 25 1HD LYS 3 2HD LYS 3 59.593 77.417 53.772 26 2HD LYS 3 1HD LYS 3 58.053 76.755 54.451 27 1HE LYS 3 2HE LYS 3 59.123 75.904 56.352 28 2HE LYS 3 1HE LYS 3 60.759 75.874 55.523 29 1HZ LYS 3 2HZ LYS 3 59.269 78.382 56.268 30 2HZ LYS 3 1HZ LYS 3 60.569 77.792 57.119 31 3HZ LYS 3 3HZ LYS 3 60.823 78.276 55.602 32 H ASP 4 H ASP 4 56.735 73.655 51.138 33 HA ASP 4 HA ASP 4 54.999 73.398 49.617 34 1HB ASP 4 2HB ASP 4 56.141 76.056 48.461 35 2HB ASP 4 1HB ASP 4 54.597 75.152 47.980 36 H GLN 5 H GLN 5 55.689 71.427 48.895 37 HA GLN 5 HA GLN 5 56.531 71.385 46.052 38 1HB GLN 5 2HB GLN 5 58.452 71.332 47.970 39 2HB GLN 5 1HB GLN 5 57.797 69.648 48.253 40 1HG GLN 5 2HG GLN 5 58.703 68.821 46.388 41 2HG GLN 5 1HG GLN 5 58.250 70.286 45.347 42 1HE2 GLN 5 2HE2 GLN 5 61.996 69.594 46.087 43 2HE2 GLN 5 1HE2 GLN 5 60.657 68.468 46.006 44 H ASN 6 H ASN 6 54.126 71.116 47.109 45 HA ASN 6 HA ASN 6 53.021 68.732 48.096 46 1HB ASN 6 2HB ASN 6 51.474 69.180 45.675 47 2HB ASN 6 1HB ASN 6 51.071 69.603 47.432 48 1HD2 ASN 6 2HD2 ASN 6 51.616 72.991 47.051 49 2HD2 ASN 6 1HD2 ASN 6 51.320 71.559 48.224 50 H GLY 7 H GLY 7 52.244 66.878 47.422 51 1HA GLY 7 1HA GLY 7 52.357 65.850 44.764 52 2HA GLY 7 2HA GLY 7 53.955 65.588 45.558 53 H THR 8 H THR 8 52.644 63.504 44.712 54 HA THR 8 HA THR 8 51.547 62.105 47.103 55 HB THR 8 HB THR 8 50.163 62.302 44.553 56 HG1 THR 8 1HG THR 8 49.029 61.878 46.204 57 1HG2 THR 8 3HG2 THR 8 51.952 60.412 43.922 58 2HG2 THR 8 2HG2 THR 8 51.358 59.432 45.311 59 3HG2 THR 8 1HG2 THR 8 50.228 59.876 43.936 60 H TRP 9 H TRP 9 52.415 60.391 47.571 61 HA TRP 9 HA TRP 9 54.682 59.373 45.920 62 1HB TRP 9 2HB TRP 9 55.375 59.735 48.806 63 2HB TRP 9 1HB TRP 9 56.503 59.559 47.387 64 HD1 TRP 9 HD1 TRP 9 53.634 62.036 48.401 65 HE1 TRP 9 HE1 TRP 9 54.310 64.513 48.252 66 HE3 TRP 9 HE3 TRP 9 58.168 61.142 46.918 67 HZ2 TRP 9 HZ2 TRP 9 56.619 65.733 47.541 68 HZ3 TRP 9 HZ3 TRP 9 59.745 63.104 46.478 69 HH2 TRP 9 HH2 TRP 9 58.948 65.338 46.806 70 H GLU 10 H GLU 10 53.992 57.440 45.449 71 HA GLU 10 HA GLU 10 52.357 55.750 46.796 72 1HB GLU 10 2HB GLU 10 54.931 55.021 45.189 73 2HB GLU 10 1HB GLU 10 53.508 53.902 45.525 74 1HG GLU 10 2HG GLU 10 52.393 56.301 44.471 75 2HG GLU 10 1HG GLU 10 53.927 55.975 43.510 76 H MET 11 H MET 11 55.637 56.388 47.524 77 HA MET 11 HA MET 11 57.044 55.876 49.358 78 1HB MET 11 2HB MET 11 54.729 55.466 50.650 79 2HB MET 11 1HB MET 11 54.874 53.756 50.092 80 1HG MET 11 2HG MET 11 57.334 53.994 51.228 81 2HG MET 11 1HG MET 11 56.484 55.197 52.178 82 1HE MET 11 1HE MET 11 55.258 54.564 54.134 83 2HE MET 11 3HE MET 11 53.685 54.083 53.368 84 3HE MET 11 2HE MET 11 54.365 53.039 54.586 85 H GLU 12 H GLU 12 55.373 52.872 48.470 86 HA GLU 12 HA GLU 12 56.209 51.333 46.886 87 1HB GLU 12 2HB GLU 12 58.215 52.708 46.142 88 2HB GLU 12 1HB GLU 12 59.067 52.157 47.664 89 1HG GLU 12 2HG GLU 12 58.967 49.877 46.985 90 2HG GLU 12 1HG GLU 12 57.830 50.390 45.545 91 H SER 13 H SER 13 57.792 52.055 49.931 92 HA SER 13 HA SER 13 56.819 49.669 51.280 93 1HB SER 13 2HB SER 13 59.008 49.112 49.455 94 2HB SER 13 1HB SER 13 59.705 49.198 51.162 95 HG SER 13 HG SER 13 58.967 47.128 50.584 96 H ASN 14 H ASN 14 57.414 49.418 53.209 97 HA ASN 14 HA ASN 14 59.186 51.496 54.519 98 1HB ASN 14 2HB ASN 14 56.474 51.648 54.835 99 2HB ASN 14 1HB ASN 14 56.684 50.111 55.811 100 1HD2 ASN 14 1HD2 ASN 14 57.080 53.421 57.718 101 2HD2 ASN 14 2HD2 ASN 14 55.887 52.761 56.445 102 H GLU 15 H GLU 15 60.497 51.074 55.827 103 HA GLU 15 HA GLU 15 61.119 48.251 56.027 104 1HB GLU 15 2HB GLU 15 62.358 50.921 57.061 105 2HB GLU 15 1HB GLU 15 62.966 49.445 57.854 106 1HG GLU 15 2HG GLU 15 62.787 49.808 54.823 107 2HG GLU 15 1HG GLU 15 64.311 49.908 55.927 108 H ASN 16 H ASN 16 62.059 47.695 58.439 109 HA ASN 16 HA ASN 16 60.588 46.384 60.051 110 1HB ASN 16 2HB ASN 16 61.546 47.441 62.112 111 2HB ASN 16 1HB ASN 16 62.775 47.099 60.745 112 1HD2 ASN 16 2HD2 ASN 16 62.764 50.629 62.353 113 2HD2 ASN 16 1HD2 ASN 16 62.326 48.952 63.124 114 H PHE 17 H PHE 17 58.567 46.759 59.454 115 HA PHE 17 HA PHE 17 57.065 49.042 60.703 116 1HB PHE 17 2HB PHE 17 56.442 47.577 58.561 117 2HB PHE 17 1HB PHE 17 55.774 46.431 59.811 118 HD1 PHE 17 HD1 PHE 17 56.037 50.102 59.391 119 HD2 PHE 17 HD2 PHE 17 53.455 46.773 60.152 120 HE1 PHE 17 HE1 PHE 17 54.111 51.622 59.691 121 HE2 PHE 17 HE2 PHE 17 51.523 48.247 60.446 122 HZ PHE 17 HZ PHE 17 51.788 50.706 60.223 123 H GLU 18 H GLU 18 57.848 45.669 61.227 124 HA GLU 18 HA GLU 18 55.988 45.550 63.556 125 1HB GLU 18 2HB GLU 18 56.468 43.321 62.408 126 2HB GLU 18 1HB GLU 18 58.248 43.744 62.435 127 1HG GLU 18 2HG GLU 18 57.347 41.960 64.019 128 2HG GLU 18 1HG GLU 18 58.317 43.375 64.845 129 H GLY 19 H GLY 19 59.546 45.606 63.188 130 1HA GLY 19 1HA GLY 19 60.023 45.581 66.028 131 2HA GLY 19 2HA GLY 19 61.187 46.242 64.820 132 H TYR 20 H TYR 20 58.823 48.026 63.854 133 HA TYR 20 HA TYR 20 59.542 50.318 65.626 134 1HB TYR 20 2HB TYR 20 59.220 50.833 63.300 135 2HB TYR 20 1HB TYR 20 57.851 49.674 63.144 136 HD1 TYR 20 HD2 TYR 20 58.394 52.281 65.713 137 HD2 TYR 20 HD1 TYR 20 56.090 50.963 62.356 138 HE1 TYR 20 HE2 TYR 20 56.845 54.130 66.145 139 HE2 TYR 20 HE1 TYR 20 54.497 52.792 62.691 140 HH TYR 20 HH TYR 20 55.059 55.389 64.946 141 H MET 21 H MET 21 56.845 48.074 65.002 142 HA MET 21 HA MET 21 55.141 49.403 67.069 143 1HB MET 21 2HB MET 21 55.209 46.835 65.327 144 2HB MET 21 1HB MET 21 54.133 46.960 66.732 145 1HG MET 21 2HG MET 21 52.974 48.928 65.692 146 2HG MET 21 1HG MET 21 54.167 49.127 64.452 147 1HE MET 21 1HE MET 21 51.232 49.194 64.116 148 2HE MET 21 3HE MET 21 52.089 49.073 62.557 149 3HE MET 21 2HE MET 21 50.718 48.056 62.789 150 H LYS 22 H LYS 22 57.508 47.001 66.795 151 HA LYS 22 HA LYS 22 56.879 45.687 69.291 152 1HB LYS 22 2HB LYS 22 58.274 44.763 67.027 153 2HB LYS 22 1HB LYS 22 59.654 45.457 67.975 154 1HG LYS 22 2HG LYS 22 59.416 44.068 69.725 155 2HG LYS 22 1HG LYS 22 57.634 43.677 69.320 156 1HD LYS 22 2HD LYS 22 59.556 41.846 68.770 157 2HD LYS 22 1HD LYS 22 58.321 42.331 67.490 158 1HE LYS 22 2HE LYS 22 60.043 43.633 66.297 159 2HE LYS 22 1HE LYS 22 60.905 43.927 67.885 160 1HZ LYS 22 1HZ LYS 22 60.884 41.220 67.331 161 2HZ LYS 22 3HZ LYS 22 61.443 41.984 65.961 162 3HZ LYS 22 2HZ LYS 22 62.243 42.235 67.371 163 H ALA 23 H ALA 23 58.629 48.308 68.246 164 HA ALA 23 HA ALA 23 60.550 48.348 70.438 165 1HB ALA 23 3HB ALA 23 60.325 49.911 68.050 166 2HB ALA 23 2HB ALA 23 59.929 51.070 69.399 167 3HB ALA 23 1HB ALA 23 61.477 50.141 69.467 168 H LEU 24 H LEU 24 57.662 50.140 69.554 169 HA LEU 24 HA LEU 24 57.413 51.447 72.176 170 1HB LEU 24 2HB LEU 24 55.611 52.581 71.176 171 2HB LEU 24 1HB LEU 24 56.377 51.908 69.672 172 HG LEU 24 HG LEU 24 54.835 49.804 70.065 173 1HD1 LEU 24 3HD1 LEU 24 53.865 51.677 72.146 174 2HD1 LEU 24 2HD1 LEU 24 52.513 51.111 71.040 175 3HD1 LEU 24 1HD1 LEU 24 53.486 49.916 71.909 176 1HD2 LEU 24 1HD2 LEU 24 54.212 52.457 68.828 177 2HD2 LEU 24 3HD2 LEU 24 54.240 50.817 68.102 178 3HD2 LEU 24 2HD2 LEU 24 52.805 51.340 69.045 179 H ASP 25 H ASP 25 56.752 48.542 70.730 180 HA ASP 25 HA ASP 25 55.652 46.527 71.165 181 1HB ASP 25 2HB ASP 25 57.373 47.325 73.326 182 2HB ASP 25 1HB ASP 25 55.761 46.928 74.114 183 H ILE 26 H ILE 26 53.880 47.360 70.320 184 HA ILE 26 HA ILE 26 51.776 48.500 72.062 185 HB ILE 26 HB ILE 26 52.146 49.598 69.950 186 1HG1 ILE 26 2HG1 ILE 26 49.507 48.041 69.966 187 2HG1 ILE 26 1HG1 ILE 26 49.901 49.606 70.766 188 1HG2 ILE 26 2HG2 ILE 26 51.909 46.739 68.834 189 2HG2 ILE 26 1HG2 ILE 26 51.347 48.074 67.801 190 3HG2 ILE 26 3HG2 ILE 26 53.054 48.089 68.381 191 1HD1 ILE 26 2HD1 ILE 26 50.739 50.345 68.307 192 2HD1 ILE 26 1HD1 ILE 26 49.592 49.021 67.793 193 3HD1 ILE 26 3HD1 ILE 26 49.003 50.444 68.725 194 H ASP 27 H ASP 27 52.554 45.522 70.263 195 HA ASP 27 HA ASP 27 50.531 44.046 71.720 196 1HB ASP 27 2HB ASP 27 49.411 45.434 69.691 197 2HB ASP 27 1HB ASP 27 50.092 44.058 68.668 198 H PHE 28 H PHE 28 50.247 41.741 70.269 199 HA PHE 28 HA PHE 28 53.023 41.126 69.371 200 1HB PHE 28 2HB PHE 28 51.106 39.504 71.149 201 2HB PHE 28 1HB PHE 28 52.694 38.851 70.499 202 HD1 PHE 28 HD1 PHE 28 51.111 41.319 72.806 203 HD2 PHE 28 HD2 PHE 28 54.705 39.512 71.426 204 HE1 PHE 28 HE1 PHE 28 52.353 42.318 74.782 205 HE2 PHE 28 HE2 PHE 28 55.985 40.482 73.365 206 HZ PHE 28 HZ PHE 28 54.753 41.924 75.064 207 H ALA 29 H ALA 29 53.161 40.547 67.462 208 HA ALA 29 HA ALA 29 52.659 39.508 65.341 209 1HB ALA 29 1HB ALA 29 52.327 37.538 67.289 210 2HB ALA 29 3HB ALA 29 50.648 37.592 66.616 211 3HB ALA 29 2HB ALA 29 52.056 37.272 65.511 212 H THR 30 H THR 30 51.430 41.777 66.062 213 HA THR 30 HA THR 30 48.675 41.403 65.148 214 HB THR 30 HB THR 30 49.592 42.933 67.163 215 HG1 THR 30 1HG THR 30 47.563 43.838 65.421 216 1HG2 THR 30 3HG2 THR 30 50.884 44.346 65.340 217 2HG2 THR 30 2HG2 THR 30 49.221 44.956 64.811 218 3HG2 THR 30 1HG2 THR 30 49.777 45.308 66.477 219 H ARG 31 H ARG 31 51.571 41.667 63.972 220 HA ARG 31 HA ARG 31 51.453 43.471 61.656 221 1HB ARG 31 2HB ARG 31 53.624 42.423 61.123 222 2HB ARG 31 1HB ARG 31 53.527 42.777 62.864 223 1HG ARG 31 2HG ARG 31 52.599 40.257 63.082 224 2HG ARG 31 1HG ARG 31 53.521 40.059 61.530 225 1HD ARG 31 2HD ARG 31 54.836 41.592 63.819 226 2HD ARG 31 1HD ARG 31 54.771 39.795 64.030 227 HE ARG 31 HE ARG 31 55.811 40.999 61.516 228 1HH1 ARG 31 2HH2 ARG 31 56.426 38.970 64.510 229 2HH1 ARG 31 1HH2 ARG 31 57.970 38.445 63.911 230 1HH2 ARG 31 2HH1 ARG 31 57.741 40.262 60.845 231 2HH2 ARG 31 1HH1 ARG 31 58.758 39.163 61.788 232 H LYS 32 H LYS 32 52.505 41.778 59.647 233 HA LYS 32 HA LYS 32 52.036 40.192 58.149 234 1HB LYS 32 2HB LYS 32 51.383 38.272 58.888 235 2HB LYS 32 1HB LYS 32 51.192 39.136 60.496 236 1HG LYS 32 2HG LYS 32 48.709 39.494 59.877 237 2HG LYS 32 1HG LYS 32 48.962 38.480 58.397 238 1HD LYS 32 2HD LYS 32 48.406 36.744 59.800 239 2HD LYS 32 1HD LYS 32 50.109 36.868 60.345 240 1HE LYS 32 2HE LYS 32 48.880 37.090 62.438 241 2HE LYS 32 1HE LYS 32 49.266 38.819 61.946 242 1HZ LYS 32 1HZ LYS 32 46.822 37.730 60.845 243 2HZ LYS 32 3HZ LYS 32 46.902 37.953 62.499 244 3HZ LYS 32 2HZ LYS 32 47.163 39.239 61.442 245 H ILE 33 H ILE 33 50.273 42.701 59.034 246 HA ILE 33 HA ILE 33 48.708 42.460 56.548 247 HB ILE 33 HB ILE 33 46.876 43.823 58.447 248 1HG1 ILE 33 2HG1 ILE 33 46.144 41.531 59.499 249 2HG1 ILE 33 1HG1 ILE 33 47.882 41.052 59.197 250 1HG2 ILE 33 1HG2 ILE 33 46.876 41.306 56.636 251 2HG2 ILE 33 3HG2 ILE 33 45.435 41.745 57.645 252 3HG2 ILE 33 2HG2 ILE 33 46.010 42.897 56.415 253 1HD1 ILE 33 1HD1 ILE 33 46.980 43.670 60.685 254 2HD1 ILE 33 3HD1 ILE 33 47.439 42.185 61.556 255 3HD1 ILE 33 2HD1 ILE 33 48.679 43.015 60.462 256 H ALA 34 H ALA 34 48.429 44.711 59.361 257 HA ALA 34 HA ALA 34 48.039 47.089 57.921 258 1HB ALA 34 1HB ALA 34 48.291 46.450 60.607 259 2HB ALA 34 3HB ALA 34 49.729 47.561 60.339 260 3HB ALA 34 2HB ALA 34 48.106 48.110 59.883 261 H VAL 35 H VAL 35 50.944 45.254 58.131 262 HA VAL 35 HA VAL 35 53.162 46.709 57.994 263 HB VAL 35 HB VAL 35 52.218 44.798 55.776 264 1HG1 VAL 35 3HG1 VAL 35 54.101 46.330 54.986 265 2HG1 VAL 35 2HG1 VAL 35 55.113 45.794 56.383 266 3HG1 VAL 35 1HG1 VAL 35 54.551 44.594 55.117 267 1HG2 VAL 35 2HG2 VAL 35 52.601 44.104 58.317 268 2HG2 VAL 35 1HG2 VAL 35 53.271 43.057 56.976 269 3HG2 VAL 35 3HG2 VAL 35 54.341 44.241 57.851 270 H ARG 36 H ARG 36 50.818 46.491 55.566 271 HA ARG 36 HA ARG 36 50.384 49.044 54.696 272 1HB ARG 36 2HB ARG 36 53.039 48.820 53.946 273 2HB ARG 36 1HB ARG 36 52.225 47.837 52.633 274 1HG ARG 36 2HG ARG 36 52.630 50.354 52.133 275 2HG ARG 36 1HG ARG 36 50.916 49.724 51.850 276 1HD ARG 36 2HD ARG 36 51.201 51.986 53.070 277 2HD ARG 36 1HD ARG 36 50.049 50.762 53.748 278 HE ARG 36 HE ARG 36 52.634 50.384 54.938 279 1HH1 ARG 36 1HH1 ARG 36 49.977 52.704 54.735 280 2HH1 ARG 36 2HH1 ARG 36 50.248 53.405 56.315 281 1HH2 ARG 36 1HH2 ARG 36 52.986 51.388 57.135 282 2HH2 ARG 36 2HH2 ARG 36 51.968 52.665 57.724 283 H LEU 37 H LEU 37 48.742 49.068 53.659 284 HA LEU 37 HA LEU 37 48.263 47.090 51.567 285 1HB LEU 37 2HB LEU 37 45.685 47.135 52.623 286 2HB LEU 37 1HB LEU 37 46.973 45.951 53.245 287 HG LEU 37 HG LEU 37 46.573 48.677 54.513 288 1HD1 LEU 37 1HD1 LEU 37 45.191 45.957 55.091 289 2HD1 LEU 37 3HD1 LEU 37 45.142 47.422 56.178 290 3HD1 LEU 37 2HD1 LEU 37 44.443 47.465 54.468 291 1HD2 LEU 37 3HD2 LEU 37 48.316 46.320 54.750 292 2HD2 LEU 37 2HD2 LEU 37 48.377 47.788 55.788 293 3HD2 LEU 37 1HD2 LEU 37 47.343 46.369 56.259 294 H THR 38 H THR 38 48.714 48.676 50.290 295 HA THR 38 HA THR 38 48.082 50.169 48.711 296 HB THR 38 HB THR 38 45.906 51.075 50.637 297 HG1 THR 38 1HG THR 38 45.380 49.058 50.071 298 1HG2 THR 38 3HG2 THR 38 46.219 51.251 47.551 299 2HG2 THR 38 2HG2 THR 38 44.789 51.935 48.489 300 3HG2 THR 38 1HG2 THR 38 46.404 52.657 48.705 301 H GLN 39 H GLN 39 49.560 51.848 48.486 302 HA GLN 39 HA GLN 39 49.539 53.774 50.742 303 1HB GLN 39 2HB GLN 39 51.485 52.214 51.203 304 2HB GLN 39 1HB GLN 39 52.055 52.549 49.484 305 1HG GLN 39 2HG GLN 39 53.279 53.837 51.148 306 2HG GLN 39 1HG GLN 39 52.319 54.907 49.981 307 1HE2 GLN 39 2HE2 GLN 39 51.624 56.663 52.933 308 2HE2 GLN 39 1HE2 GLN 39 52.657 56.470 51.496 309 H THR 40 H THR 40 49.971 55.648 50.425 310 HA THR 40 HA THR 40 50.974 56.964 48.073 311 HB THR 40 HB THR 40 47.944 56.958 48.680 312 HG1 THR 40 1HG THR 40 49.431 55.727 46.765 313 1HG2 THR 40 1HG2 THR 40 49.665 58.995 47.273 314 2HG2 THR 40 3HG2 THR 40 48.268 58.391 46.259 315 3HG2 THR 40 2HG2 THR 40 47.983 59.103 47.906 316 H LYS 41 H LYS 41 52.226 57.690 49.767 317 HA LYS 41 HA LYS 41 50.893 59.298 51.883 318 1HB LYS 41 2HB LYS 41 53.241 58.645 52.380 319 2HB LYS 41 1HB LYS 41 53.793 59.279 50.740 320 1HG LYS 41 2HG LYS 41 52.432 61.203 52.629 321 2HG LYS 41 1HG LYS 41 54.027 60.574 53.202 322 1HD LYS 41 2HD LYS 41 54.724 61.128 50.634 323 2HD LYS 41 1HD LYS 41 53.211 62.086 50.625 324 1HE LYS 41 2HE LYS 41 55.366 63.373 51.143 325 2HE LYS 41 1HE LYS 41 53.997 63.620 52.336 326 1HZ LYS 41 3HZ LYS 41 56.037 61.524 52.699 327 2HZ LYS 41 2HZ LYS 41 56.362 63.095 53.158 328 3HZ LYS 41 1HZ LYS 41 55.090 62.215 53.882 329 H ILE 42 H ILE 42 50.536 61.491 51.900 330 HA ILE 42 HA ILE 42 50.948 62.921 49.233 331 HB ILE 42 HB ILE 42 48.264 62.969 50.761 332 1HG1 ILE 42 2HG1 ILE 42 48.358 62.269 47.971 333 2HG1 ILE 42 1HG1 ILE 42 49.364 61.048 48.934 334 1HG2 ILE 42 3HG2 ILE 42 49.418 64.661 48.501 335 2HG2 ILE 42 2HG2 ILE 42 47.680 64.120 48.497 336 3HG2 ILE 42 1HG2 ILE 42 48.333 65.066 49.841 337 1HD1 ILE 42 1HD1 ILE 42 46.591 61.963 49.892 338 2HD1 ILE 42 3HD1 ILE 42 46.763 60.497 48.835 339 3HD1 ILE 42 2HD1 ILE 42 47.506 60.515 50.458 340 H ILE 43 H ILE 43 52.292 64.241 49.751 341 HA ILE 43 HA ILE 43 52.094 65.941 52.183 342 HB ILE 43 HB ILE 43 53.989 64.806 50.611 343 1HG1 ILE 43 2HG1 ILE 43 54.153 66.031 52.878 344 2HG1 ILE 43 1HG1 ILE 43 55.677 65.997 51.859 345 1HG2 ILE 43 2HG2 ILE 43 53.811 67.823 49.702 346 2HG2 ILE 43 1HG2 ILE 43 55.282 66.783 49.446 347 3HG2 ILE 43 3HG2 ILE 43 53.656 66.350 48.679 348 1HD1 ILE 43 2HD1 ILE 43 53.528 68.301 51.945 349 2HD1 ILE 43 1HD1 ILE 43 55.084 68.244 52.934 350 3HD1 ILE 43 3HD1 ILE 43 55.092 68.371 51.145 351 H VAL 44 H VAL 44 51.543 68.002 52.245 352 HA VAL 44 HA VAL 44 50.552 69.216 49.569 353 HB VAL 44 HB VAL 44 49.337 69.098 52.305 354 1HG1 VAL 44 1HG1 VAL 44 49.264 71.538 50.536 355 2HG1 VAL 44 3HG1 VAL 44 47.716 70.946 51.257 356 3HG1 VAL 44 2HG1 VAL 44 49.131 71.272 52.325 357 1HG2 VAL 44 3HG2 VAL 44 48.426 67.555 50.415 358 2HG2 VAL 44 2HG2 VAL 44 47.225 68.784 50.990 359 3HG2 VAL 44 1HG2 VAL 44 48.092 68.991 49.397 360 H GLN 45 H GLN 45 51.049 70.505 53.004 361 HA GLN 45 HA GLN 45 52.067 72.292 53.690 362 1HB GLN 45 2HB GLN 45 53.709 71.428 51.364 363 2HB GLN 45 1HB GLN 45 53.966 73.193 51.739 364 1HG GLN 45 2HG GLN 45 54.721 72.757 53.890 365 2HG GLN 45 1HG GLN 45 53.865 71.065 53.940 366 1HE2 GLN 45 1HE2 GLN 45 57.068 69.838 53.282 367 2HE2 GLN 45 2HE2 GLN 45 55.530 70.035 54.397 368 H ASP 46 H ASP 46 51.345 74.131 53.934 369 HA ASP 46 HA ASP 46 50.993 75.812 51.474 370 1HB ASP 46 2HB ASP 46 48.910 74.158 52.348 371 2HB ASP 46 1HB ASP 46 48.496 75.686 53.239 372 H GLY 47 H GLY 47 52.633 76.328 53.796 373 1HA GLY 47 1HA GLY 47 53.227 78.337 54.886 374 2HA GLY 47 2HA GLY 47 51.631 79.073 54.327 375 H ASP 48 H ASP 48 53.446 77.356 56.586 376 HA ASP 48 HA ASP 48 52.934 76.797 58.928 377 1HB ASP 48 2HB ASP 48 51.053 79.210 58.405 378 2HB ASP 48 1HB ASP 48 51.554 78.487 60.061 379 H ASN 49 H ASN 49 51.755 75.301 57.105 380 HA ASN 49 HA ASN 49 49.725 73.819 58.504 381 1HB ASN 49 2HB ASN 49 48.174 75.715 57.724 382 2HB ASN 49 1HB ASN 49 48.665 75.292 55.973 383 1HD2 ASN 49 2HD2 ASN 49 45.888 73.180 57.973 384 2HD2 ASN 49 1HD2 ASN 49 46.784 74.683 58.670 385 H PHE 50 H PHE 50 50.967 72.184 58.098 386 HA PHE 50 HA PHE 50 51.103 71.332 55.206 387 1HB PHE 50 2HB PHE 50 53.262 71.890 55.746 388 2HB PHE 50 1HB PHE 50 53.138 71.164 57.436 389 HD1 PHE 50 HD2 PHE 50 51.775 69.398 54.472 390 HD2 PHE 50 HD1 PHE 50 55.062 69.828 57.197 391 HE1 PHE 50 HE2 PHE 50 52.645 67.193 53.708 392 HE2 PHE 50 HE1 PHE 50 55.980 67.622 56.458 393 HZ PHE 50 HZ PHE 50 54.733 66.410 54.752 394 H LYS 51 H LYS 51 49.669 69.801 54.812 395 HA LYS 51 HA LYS 51 49.313 67.796 56.987 396 1HB LYS 51 2HB LYS 51 47.423 68.534 54.664 397 2HB LYS 51 1HB LYS 51 47.039 67.411 56.080 398 1HG LYS 51 2HG LYS 51 46.930 69.378 57.637 399 2HG LYS 51 1HG LYS 51 47.663 70.452 56.405 400 1HD LYS 51 2HD LYS 51 45.726 69.785 54.938 401 2HD LYS 51 1HD LYS 51 44.974 68.908 56.345 402 1HE LYS 51 2HE LYS 51 45.681 71.378 57.405 403 2HE LYS 51 1HE LYS 51 45.012 71.848 55.724 404 1HZ LYS 51 2HZ LYS 51 43.685 70.266 57.890 405 2HZ LYS 51 1HZ LYS 51 43.319 71.811 57.447 406 3HZ LYS 51 3HZ LYS 51 43.009 70.581 56.374 407 H THR 52 H THR 52 51.069 66.576 56.345 408 HA THR 52 HA THR 52 51.067 65.291 53.738 409 HB THR 52 HB THR 52 52.469 65.001 56.350 410 HG1 THR 52 1HG THR 52 52.873 64.689 53.681 411 1HG2 THR 52 2HG2 THR 52 51.602 62.451 54.629 412 2HG2 THR 52 1HG2 THR 52 52.990 62.488 55.811 413 3HG2 THR 52 3HG2 THR 52 51.286 62.705 56.369 414 H LYS 53 H LYS 53 50.060 63.186 53.153 415 HA LYS 53 HA LYS 53 48.353 61.912 55.262 416 1HB LYS 53 2HB LYS 53 46.642 63.547 54.901 417 2HB LYS 53 1HB LYS 53 47.349 63.945 53.262 418 1HG LYS 53 2HG LYS 53 46.148 61.259 53.231 419 2HG LYS 53 1HG LYS 53 45.035 62.375 54.121 420 1HD LYS 53 2HD LYS 53 45.042 64.017 52.487 421 2HD LYS 53 1HD LYS 53 46.288 63.158 51.460 422 1HE LYS 53 2HE LYS 53 43.412 62.123 52.116 423 2HE LYS 53 1HE LYS 53 43.926 62.828 50.498 424 1HZ LYS 53 1HZ LYS 53 45.769 60.887 51.405 425 2HZ LYS 53 3HZ LYS 53 44.240 60.256 51.547 426 3HZ LYS 53 2HZ LYS 53 44.786 60.749 50.047 427 H THR 54 H THR 54 48.009 60.014 54.957 428 HA THR 54 HA THR 54 48.917 58.807 52.338 429 HB THR 54 HB THR 54 49.773 58.197 54.674 430 HG1 THR 54 1HG THR 54 49.191 56.615 52.435 431 1HG2 THR 54 3HG2 THR 54 47.292 56.313 54.430 432 2HG2 THR 54 2HG2 THR 54 48.693 55.929 55.444 433 3HG2 THR 54 1HG2 THR 54 47.724 57.419 55.795 434 H ASN 55 H ASN 55 47.770 57.334 51.178 435 HA ASN 55 HA ASN 55 44.823 57.352 51.736 436 1HB ASN 55 2HB ASN 55 45.687 58.707 49.725 437 2HB ASN 55 1HB ASN 55 45.936 57.000 48.938 438 1HD2 ASN 55 2HD2 ASN 55 42.078 58.252 49.992 439 2HD2 ASN 55 1HD2 ASN 55 43.521 58.583 51.114 440 H SER 56 H SER 56 46.044 55.708 53.021 441 HA SER 56 HA SER 56 46.228 52.932 52.003 442 1HB SER 56 2HB SER 56 47.001 52.467 54.105 443 2HB SER 56 1HB SER 56 47.119 54.321 54.202 444 HG SER 56 HG SER 56 45.409 54.427 55.312 445 H THR 57 H THR 57 44.864 51.289 52.610 446 HA THR 57 HA THR 57 42.025 52.224 52.679 447 HB THR 57 HB THR 57 42.993 50.854 50.741 448 HG1 THR 57 1HG THR 57 40.631 51.116 51.762 449 1HG2 THR 57 3HG2 THR 57 43.376 48.871 52.918 450 2HG2 THR 57 2HG2 THR 57 41.914 48.359 52.079 451 3HG2 THR 57 1HG2 THR 57 43.446 48.603 51.100 452 H PHE 58 H PHE 58 44.010 52.032 54.812 453 HA PHE 58 HA PHE 58 42.353 50.256 56.572 454 1HB PHE 58 2HB PHE 58 44.157 49.105 57.583 455 2HB PHE 58 1HB PHE 58 44.377 49.148 55.760 456 HD1 PHE 58 HD1 PHE 58 46.033 50.694 54.770 457 HD2 PHE 58 HD2 PHE 58 45.814 49.902 58.993 458 HE1 PHE 58 HE1 PHE 58 48.373 51.517 55.025 459 HE2 PHE 58 HE2 PHE 58 48.131 50.744 59.235 460 HZ PHE 58 HZ PHE 58 49.419 51.541 57.271 461 H ARG 59 H ARG 59 45.062 52.689 56.630 462 HA ARG 59 HA ARG 59 43.839 53.555 59.351 463 1HB ARG 59 2HB ARG 59 46.620 53.579 58.207 464 2HB ARG 59 1HB ARG 59 46.158 54.846 59.455 465 1HG ARG 59 2HG ARG 59 45.513 51.855 59.909 466 2HG ARG 59 1HG ARG 59 47.130 52.565 60.288 467 1HD ARG 59 2HD ARG 59 46.279 53.382 62.224 468 2HD ARG 59 1HD ARG 59 45.178 54.431 61.241 469 HE ARG 59 HE ARG 59 43.843 52.157 61.024 470 1HH1 ARG 59 2HH2 ARG 59 45.457 53.752 63.925 471 2HH1 ARG 59 1HH2 ARG 59 44.299 53.139 65.029 472 1HH2 ARG 59 1HH1 ARG 59 42.275 51.365 62.793 473 2HH2 ARG 59 2HH1 ARG 59 42.585 51.824 64.427 474 H ASN 60 H ASN 60 45.857 55.416 57.191 475 HA ASN 60 HA ASN 60 45.530 57.632 56.364 476 1HB ASN 60 2HB ASN 60 43.370 56.262 55.563 477 2HB ASN 60 1HB ASN 60 42.486 57.354 56.790 478 1HD2 ASN 60 2HD2 ASN 60 43.483 58.645 53.109 479 2HD2 ASN 60 1HD2 ASN 60 43.594 56.967 53.631 480 H TYR 61 H TYR 61 46.459 57.762 58.434 481 HA TYR 61 HA TYR 61 44.902 58.789 60.713 482 1HB TYR 61 2HB TYR 61 47.582 57.918 60.096 483 2HB TYR 61 1HB TYR 61 47.713 59.691 60.524 484 HD1 TYR 61 HD1 TYR 61 45.496 59.895 62.407 485 HD2 TYR 61 HD2 TYR 61 48.482 56.845 62.105 486 HE1 TYR 61 HE1 TYR 61 45.164 59.476 64.795 487 HE2 TYR 61 HE2 TYR 61 48.197 56.381 64.503 488 HH TYR 61 HH TYR 61 46.998 56.776 66.320 489 H ASP 62 H ASP 62 47.037 60.074 58.255 490 HA ASP 62 HA ASP 62 47.177 62.079 57.112 491 1HB ASP 62 2HB ASP 62 44.617 62.095 57.241 492 2HB ASP 62 1HB ASP 62 44.877 63.166 58.745 493 H LEU 63 H LEU 63 48.788 63.277 57.493 494 HA LEU 63 HA LEU 63 49.565 64.035 60.239 495 1HB LEU 63 2HB LEU 63 51.165 63.458 58.194 496 2HB LEU 63 1HB LEU 63 50.771 65.110 57.577 497 HG LEU 63 HG LEU 63 51.610 65.900 60.027 498 1HD1 LEU 63 3HD1 LEU 63 51.282 63.126 60.417 499 2HD1 LEU 63 2HD1 LEU 63 53.079 63.349 60.127 500 3HD1 LEU 63 1HD1 LEU 63 52.172 64.222 61.487 501 1HD2 LEU 63 3HD2 LEU 63 53.419 64.399 58.032 502 2HD2 LEU 63 2HD2 LEU 63 52.948 66.149 57.922 503 3HD2 LEU 63 1HD2 LEU 63 53.980 65.608 59.290 504 H ASP 64 H ASP 64 46.990 65.209 59.856 505 HA ASP 64 HA ASP 64 47.230 67.832 58.785 506 1HB ASP 64 2HB ASP 64 45.099 66.588 59.200 507 2HB ASP 64 1HB ASP 64 45.433 66.743 61.035 508 H PHE 65 H PHE 65 49.032 68.877 59.375 509 HA PHE 65 HA PHE 65 49.197 69.497 62.338 510 1HB PHE 65 2HB PHE 65 51.087 68.018 60.616 511 2HB PHE 65 1HB PHE 65 51.776 69.582 61.274 512 HD1 PHE 65 HD1 PHE 65 51.545 69.987 63.823 513 HD2 PHE 65 HD2 PHE 65 50.856 66.140 61.878 514 HE1 PHE 65 HE1 PHE 65 51.866 68.913 65.951 515 HE2 PHE 65 HE2 PHE 65 51.170 65.072 64.011 516 HZ PHE 65 HZ PHE 65 51.678 66.405 66.078 517 H THR 66 H THR 66 50.620 71.326 62.638 518 HA THR 66 HA THR 66 50.976 73.290 60.465 519 HB THR 66 HB THR 66 48.708 73.163 62.427 520 HG1 THR 66 1HG THR 66 47.824 74.065 60.786 521 1HG2 THR 66 1HG2 THR 66 50.369 75.868 61.882 522 2HG2 THR 66 3HG2 THR 66 48.650 75.814 62.496 523 3HG2 THR 66 2HG2 THR 66 50.003 75.130 63.472 524 H VAL 67 H VAL 67 52.790 74.204 60.879 525 HA VAL 67 HA VAL 67 54.544 73.554 62.987 526 HB VAL 67 HB VAL 67 55.014 74.613 60.826 527 1HG1 VAL 67 2HG1 VAL 67 53.231 76.471 61.079 528 2HG1 VAL 67 1HG1 VAL 67 54.426 77.289 62.184 529 3HG1 VAL 67 3HG1 VAL 67 54.842 76.960 60.424 530 1HG2 VAL 67 1HG2 VAL 67 56.249 75.115 63.403 531 2HG2 VAL 67 3HG2 VAL 67 57.025 74.939 61.785 532 3HG2 VAL 67 2HG2 VAL 67 56.500 76.616 62.372 533 H GLY 68 H GLY 68 54.999 74.013 64.858 534 1HA GLY 68 1HA GLY 68 55.109 75.212 66.866 535 2HA GLY 68 2HA GLY 68 54.182 76.568 66.006 536 H VAL 69 H VAL 69 52.346 73.866 65.542 537 HA VAL 69 HA VAL 69 50.328 74.831 67.361 538 HB VAL 69 HB VAL 69 50.841 72.365 65.651 539 1HG1 VAL 69 1HG1 VAL 69 48.952 72.332 67.980 540 2HG1 VAL 69 3HG1 VAL 69 48.819 71.215 66.512 541 3HG1 VAL 69 2HG1 VAL 69 50.248 71.168 67.631 542 1HG2 VAL 69 2HG2 VAL 69 49.404 74.721 65.283 543 2HG2 VAL 69 1HG2 VAL 69 48.975 73.173 64.475 544 3HG2 VAL 69 3HG2 VAL 69 48.052 73.672 65.933 545 H GLU 70 H GLU 70 52.740 72.256 67.307 546 HA GLU 70 HA GLU 70 53.553 70.918 69.088 547 1HB GLU 70 2HB GLU 70 53.892 73.138 70.211 548 2HB GLU 70 1HB GLU 70 52.283 72.814 71.119 549 1HG GLU 70 2HG GLU 70 52.928 70.959 72.120 550 2HG GLU 70 1HG GLU 70 54.577 70.843 71.173 551 H PHE 71 H PHE 71 52.373 69.245 68.521 552 HA PHE 71 HA PHE 71 49.635 69.050 69.513 553 1HB PHE 71 2HB PHE 71 51.271 67.276 67.868 554 2HB PHE 71 1HB PHE 71 50.460 66.284 69.159 555 HD1 PHE 71 HD2 PHE 71 49.685 69.162 66.922 556 HD2 PHE 71 HD1 PHE 71 48.448 65.419 68.552 557 HE1 PHE 71 HE2 PHE 71 47.569 69.268 65.542 558 HE2 PHE 71 HE1 PHE 71 46.409 65.490 67.240 559 HZ PHE 71 HZ PHE 71 45.916 67.408 65.713 560 H ASP 72 H ASP 72 50.101 69.738 71.677 561 HA ASP 72 HA ASP 72 51.697 68.558 73.635 562 1HB ASP 72 2HB ASP 72 48.815 69.614 73.526 563 2HB ASP 72 1HB ASP 72 49.584 69.167 75.144 564 H GLU 73 H GLU 73 51.748 66.211 73.083 565 HA GLU 73 HA GLU 73 51.173 63.949 73.709 566 1HB GLU 73 2HB GLU 73 49.220 65.249 75.626 567 2HB GLU 73 1HB GLU 73 50.082 63.682 75.774 568 1HG GLU 73 2HG GLU 73 52.115 64.595 76.397 569 2HG GLU 73 1HG GLU 73 51.756 66.252 75.607 570 H HIS 74 H HIS 74 49.308 62.731 74.190 571 HA HIS 74 HA HIS 74 47.199 61.894 73.817 572 1HB HIS 74 2HB HIS 74 46.402 64.358 73.455 573 2HB HIS 74 1HB HIS 74 46.705 64.075 71.707 574 HD1 HIS 74 HD1 HIS 74 44.750 62.396 74.570 575 HD2 HIS 74 HD2 HIS 74 44.716 62.999 70.384 576 HE1 HIS 74 HE1 HIS 74 42.559 61.333 73.655 577 HE2 HIS 74 HE2 HIS 74 42.560 61.702 71.150 578 H THR 75 H THR 75 47.821 60.161 73.144 579 HA THR 75 HA THR 75 47.590 59.502 70.301 580 HB THR 75 HB THR 75 49.608 58.476 70.046 581 HG1 THR 75 1HG THR 75 50.616 57.347 71.746 582 1HG2 THR 75 1HG2 THR 75 50.041 60.883 71.208 583 2HG2 THR 75 3HG2 THR 75 50.625 59.937 72.666 584 3HG2 THR 75 2HG2 THR 75 51.441 59.794 71.077 585 H LYS 76 H LYS 76 47.531 57.106 70.086 586 HA LYS 76 HA LYS 76 47.083 55.253 72.184 587 1HB LYS 76 2HB LYS 76 44.529 55.101 72.272 588 2HB LYS 76 1HB LYS 76 45.309 56.467 73.140 589 1HG LYS 76 2HG LYS 76 44.952 57.366 70.378 590 2HG LYS 76 1HG LYS 76 43.436 56.525 70.907 591 1HD LYS 76 2HD LYS 76 44.006 58.122 73.157 592 2HD LYS 76 1HD LYS 76 44.469 59.171 71.717 593 1HE LYS 76 2HE LYS 76 42.114 59.578 71.904 594 2HE LYS 76 1HE LYS 76 42.142 58.188 70.723 595 1HZ LYS 76 2HZ LYS 76 41.847 56.727 72.816 596 2HZ LYS 76 1HZ LYS 76 41.380 58.181 73.510 597 3HZ LYS 76 3HZ LYS 76 40.535 57.571 72.223 598 H GLY 77 H GLY 77 46.067 56.434 69.056 599 1HA GLY 77 1HA GLY 77 44.819 54.135 68.050 600 2HA GLY 77 2HA GLY 77 45.824 55.229 66.996 601 H LEU 78 H LEU 78 47.932 55.146 68.674 602 HA LEU 78 HA LEU 78 49.232 52.461 68.380 603 1HB LEU 78 2HB LEU 78 49.534 54.281 66.442 604 2HB LEU 78 1HB LEU 78 50.793 54.942 67.572 605 HG LEU 78 HG LEU 78 51.470 52.337 67.727 606 1HD1 LEU 78 1HD1 LEU 78 49.624 52.382 65.389 607 2HD1 LEU 78 3HD1 LEU 78 51.196 51.446 65.198 608 3HD1 LEU 78 2HD1 LEU 78 50.095 51.081 66.563 609 1HD2 LEU 78 3HD2 LEU 78 52.272 54.627 65.886 610 2HD2 LEU 78 2HD2 LEU 78 53.313 53.452 66.760 611 3HD2 LEU 78 1HD2 LEU 78 52.593 52.959 65.197 612 H ASP 79 H ASP 79 49.499 52.021 70.338 613 HA ASP 79 HA ASP 79 50.898 51.790 72.110 614 1HB ASP 79 2HB ASP 79 52.629 53.113 71.181 615 2HB ASP 79 1HB ASP 79 51.832 54.724 71.796 616 H GLY 80 H GLY 80 50.177 55.310 72.502 617 1HA GLY 80 1HA GLY 80 48.341 56.181 73.647 618 2HA GLY 80 2HA GLY 80 48.219 54.565 74.600 619 H ARG 81 H ARG 81 49.933 57.525 73.867 620 HA ARG 81 HA ARG 81 51.010 57.556 76.672 621 1HB ARG 81 2HB ARG 81 52.570 57.170 74.226 622 2HB ARG 81 1HB ARG 81 52.923 58.873 74.804 623 1HG ARG 81 2HG ARG 81 53.043 57.476 77.184 624 2HG ARG 81 1HG ARG 81 53.638 56.218 76.041 625 1HD ARG 81 2HD ARG 81 55.463 57.537 75.314 626 2HD ARG 81 1HD ARG 81 54.747 59.102 75.929 627 HE ARG 81 HE ARG 81 56.006 56.993 77.557 628 1HH1 ARG 81 1HH1 ARG 81 54.499 60.339 77.344 629 2HH1 ARG 81 2HH1 ARG 81 55.092 60.750 78.949 630 1HH2 ARG 81 1HH2 ARG 81 56.708 57.727 79.654 631 2HH2 ARG 81 2HH2 ARG 81 56.292 59.345 80.191 632 H ASN 82 H ASN 82 52.447 59.821 76.626 633 HA ASN 82 HA ASN 82 50.726 61.916 75.516 634 1HB ASN 82 2HB ASN 82 51.874 62.050 78.440 635 2HB ASN 82 1HB ASN 82 50.405 63.005 77.707 636 1HD2 ASN 82 2HD2 ASN 82 50.045 59.130 78.945 637 2HD2 ASN 82 1HD2 ASN 82 51.628 59.808 78.538 638 H VAL 83 H VAL 83 52.101 62.242 74.080 639 HA VAL 83 HA VAL 83 54.881 63.161 74.941 640 HB VAL 83 HB VAL 83 53.917 61.820 72.352 641 1HG1 VAL 83 3HG1 VAL 83 56.377 63.299 72.957 642 2HG1 VAL 83 2HG1 VAL 83 56.676 61.611 72.228 643 3HG1 VAL 83 1HG1 VAL 83 55.637 62.853 71.411 644 1HG2 VAL 83 3HG2 VAL 83 54.890 60.886 75.013 645 2HG2 VAL 83 2HG2 VAL 83 54.264 59.889 73.618 646 3HG2 VAL 83 1HG2 VAL 83 56.003 60.341 73.668 647 H LYS 84 H LYS 84 55.857 64.743 74.243 648 HA LYS 84 HA LYS 84 54.411 67.030 73.178 649 1HB LYS 84 2HB LYS 84 56.860 66.544 74.604 650 2HB LYS 84 1HB LYS 84 57.374 67.286 73.045 651 1HG LYS 84 2HG LYS 84 56.931 69.123 74.573 652 2HG LYS 84 1HG LYS 84 55.615 69.026 73.293 653 1HD LYS 84 2HD LYS 84 54.654 69.463 75.538 654 2HD LYS 84 1HD LYS 84 54.132 67.834 74.956 655 1HE LYS 84 2HE LYS 84 55.053 66.823 76.825 656 2HE LYS 84 1HE LYS 84 56.683 67.438 76.325 657 1HZ LYS 84 3HZ LYS 84 55.952 69.637 77.397 658 2HZ LYS 84 2HZ LYS 84 54.710 68.777 78.067 659 3HZ LYS 84 1HZ LYS 84 56.299 68.387 78.438 660 H THR 85 H THR 85 53.570 65.940 71.519 661 HA THR 85 HA THR 85 55.194 65.217 69.110 662 HB THR 85 HB THR 85 52.204 65.526 69.665 663 HG1 THR 85 1HG THR 85 52.810 63.179 69.835 664 1HG2 THR 85 2HG2 THR 85 53.944 63.790 67.754 665 2HG2 THR 85 1HG2 THR 85 52.175 63.744 67.848 666 3HG2 THR 85 3HG2 THR 85 52.943 65.205 67.061 667 H LEU 86 H LEU 86 56.365 67.089 69.439 668 HA LEU 86 HA LEU 86 55.305 69.603 68.684 669 1HB LEU 86 2HB LEU 86 57.774 68.649 69.548 670 2HB LEU 86 1HB LEU 86 58.065 69.072 67.756 671 HG LEU 86 HG LEU 86 56.818 71.395 68.608 672 1HD1 LEU 86 3HD1 LEU 86 57.134 70.111 70.986 673 2HD1 LEU 86 2HD1 LEU 86 58.861 70.530 70.763 674 3HD1 LEU 86 1HD1 LEU 86 57.656 71.886 70.865 675 1HD2 LEU 86 1HD2 LEU 86 59.814 70.709 68.850 676 2HD2 LEU 86 3HD2 LEU 86 58.999 71.160 67.323 677 3HD2 LEU 86 2HD2 LEU 86 59.120 72.373 68.688 678 H VAL 87 H VAL 87 56.073 70.866 66.835 679 HA VAL 87 HA VAL 87 56.598 69.580 64.326 680 HB VAL 87 HB VAL 87 54.187 69.239 64.217 681 1HG1 VAL 87 1HG1 VAL 87 54.171 71.674 66.048 682 2HG1 VAL 87 3HG1 VAL 87 52.673 71.185 65.091 683 3HG1 VAL 87 2HG1 VAL 87 53.447 70.048 66.240 684 1HG2 VAL 87 1HG2 VAL 87 55.136 71.510 62.601 685 2HG2 VAL 87 3HG2 VAL 87 53.676 70.483 62.332 686 3HG2 VAL 87 2HG2 VAL 87 53.511 71.944 63.344 687 H THR 88 H THR 88 58.024 70.737 63.465 688 HA THR 88 HA THR 88 57.708 73.665 63.415 689 HB THR 88 HB THR 88 58.942 72.516 65.487 690 HG1 THR 88 1HG THR 88 58.656 74.798 64.654 691 1HG2 THR 88 1HG2 THR 88 60.925 72.082 63.395 692 2HG2 THR 88 3HG2 THR 88 61.477 73.553 64.357 693 3HG2 THR 88 2HG2 THR 88 61.221 71.929 65.127 694 H TRP 89 H TRP 89 59.672 74.558 62.212 695 HA TRP 89 HA TRP 89 60.096 72.973 59.692 696 1HB TRP 89 2HB TRP 89 60.305 75.930 60.604 697 2HB TRP 89 1HB TRP 89 61.005 75.405 59.022 698 HD1 TRP 89 HD1 TRP 89 57.665 76.529 60.377 699 HE1 TRP 89 HE1 TRP 89 55.888 75.578 58.852 700 HE3 TRP 89 HE3 TRP 89 60.584 73.363 57.866 701 HZ2 TRP 89 HZ2 TRP 89 55.790 73.489 56.673 702 HZ3 TRP 89 HZ3 TRP 89 59.712 71.849 56.093 703 HH2 TRP 89 HH2 TRP 89 57.393 71.978 55.624 704 H GLU 90 H GLU 90 62.284 72.665 58.817 705 HA GLU 90 HA GLU 90 64.159 72.805 61.142 706 1HB GLU 90 2HB GLU 90 63.757 70.610 59.838 707 2HB GLU 90 1HB GLU 90 64.355 71.504 58.387 708 1HG GLU 90 2HG GLU 90 66.027 69.931 59.820 709 2HG GLU 90 1HG GLU 90 66.572 71.645 59.248 710 H GLY 91 H GLY 91 63.631 73.568 57.831 711 1HA GLY 91 1HA GLY 91 64.739 76.040 57.578 712 2HA GLY 91 2HA GLY 91 66.051 74.871 56.929 713 H ASN 92 H ASN 92 64.522 72.920 56.156 714 HA ASN 92 HA ASN 92 62.454 73.859 54.220 715 1HB ASN 92 2HB ASN 92 63.800 72.400 52.352 716 2HB ASN 92 1HB ASN 92 64.201 74.216 52.668 717 1HD2 ASN 92 2HD2 ASN 92 67.227 73.834 54.248 718 2HD2 ASN 92 1HD2 ASN 92 65.771 74.805 53.948 719 H THR 93 H THR 93 62.278 72.386 56.436 720 HA THR 93 HA THR 93 60.759 70.150 55.569 721 HB THR 93 HB THR 93 63.269 69.217 55.404 722 HG1 THR 93 1HG THR 93 61.688 67.991 54.967 723 1HG2 THR 93 3HG2 THR 93 63.539 69.767 58.055 724 2HG2 THR 93 2HG2 THR 93 62.224 68.539 58.244 725 3HG2 THR 93 1HG2 THR 93 63.831 68.013 57.637 726 H LEU 94 H LEU 94 59.838 68.948 56.924 727 HA LEU 94 HA LEU 94 58.980 70.372 59.349 728 1HB LEU 94 2HB LEU 94 57.419 69.808 57.510 729 2HB LEU 94 1HB LEU 94 57.671 68.065 57.887 730 HG LEU 94 HG LEU 94 57.291 68.945 60.382 731 1HD1 LEU 94 3HD1 LEU 94 56.622 71.359 59.451 732 2HD1 LEU 94 2HD1 LEU 94 55.019 70.506 59.062 733 3HD1 LEU 94 1HD1 LEU 94 55.630 70.515 60.731 734 1HD2 LEU 94 3HD2 LEU 94 56.051 67.183 58.803 735 2HD2 LEU 94 2HD2 LEU 94 55.219 67.746 60.334 736 3HD2 LEU 94 1HD2 LEU 94 54.790 68.438 58.679 737 H VAL 95 H VAL 95 60.260 70.045 60.867 738 HA VAL 95 HA VAL 95 61.003 67.357 61.751 739 HB VAL 95 HB VAL 95 61.155 70.225 62.870 740 1HG1 VAL 95 3HG1 VAL 95 61.671 67.841 64.308 741 2HG1 VAL 95 2HG1 VAL 95 63.295 68.636 64.131 742 3HG1 VAL 95 1HG1 VAL 95 61.871 69.505 64.880 743 1HG2 VAL 95 3HG2 VAL 95 62.618 69.164 60.770 744 2HG2 VAL 95 2HG2 VAL 95 63.080 70.604 61.736 745 3HG2 VAL 95 1HG2 VAL 95 63.791 68.956 62.193 746 H CYS 96 H CYS 96 59.471 66.221 63.010 747 HA CYS 96 HA CYS 96 57.959 67.751 65.047 748 1HB CYS 96 2HB CYS 96 57.032 65.135 63.542 749 2HB CYS 96 1HB CYS 96 56.130 65.853 64.871 750 HG CYS 96 HG CYS 96 54.847 66.719 62.887 751 H VAL 97 H VAL 97 58.821 67.383 66.878 752 HA VAL 97 HA VAL 97 60.424 64.923 67.304 753 HB VAL 97 HB VAL 97 60.202 67.516 68.866 754 1HG1 VAL 97 2HG1 VAL 97 61.656 65.188 69.444 755 2HG1 VAL 97 1HG1 VAL 97 62.835 66.059 68.361 756 3HG1 VAL 97 3HG1 VAL 97 62.240 66.847 69.896 757 1HG2 VAL 97 3HG2 VAL 97 61.531 66.843 66.241 758 2HG2 VAL 97 2HG2 VAL 97 60.688 68.411 66.832 759 3HG2 VAL 97 1HG2 VAL 97 62.359 68.004 67.373 760 H GLN 98 H GLN 98 58.357 63.701 67.710 761 HA GLN 98 HA GLN 98 56.679 63.999 70.065 762 1HB GLN 98 2HB GLN 98 57.319 61.931 68.127 763 2HB GLN 98 1HB GLN 98 57.425 61.189 69.808 764 1HG GLN 98 2HG GLN 98 55.157 61.450 70.128 765 2HG GLN 98 1HG GLN 98 55.033 62.995 69.208 766 1HE2 GLN 98 1HE2 GLN 98 53.805 59.610 67.625 767 2HE2 GLN 98 2HE2 GLN 98 54.007 59.992 69.359 768 H LYS 99 H LYS 99 57.559 64.803 71.710 769 HA LYS 99 HA LYS 99 60.002 63.400 72.779 770 1HB LYS 99 2HB LYS 99 59.385 66.042 72.587 771 2HB LYS 99 1HB LYS 99 58.839 65.778 74.264 772 1HG LYS 99 2HG LYS 99 61.049 65.227 74.971 773 2HG LYS 99 1HG LYS 99 61.513 64.501 73.388 774 1HD LYS 99 2HD LYS 99 62.495 66.497 72.846 775 2HD LYS 99 1HD LYS 99 60.953 67.420 73.128 776 1HE LYS 99 2HE LYS 99 61.473 67.461 75.566 777 2HE LYS 99 1HE LYS 99 62.931 66.376 75.307 778 1HZ LYS 99 2HZ LYS 99 63.729 68.275 73.847 779 2HZ LYS 99 1HZ LYS 99 62.619 69.273 74.657 780 3HZ LYS 99 3HZ LYS 99 63.760 68.465 75.520 781 H GLY 100 H GLY 100 59.107 61.580 73.424 782 1HA GLY 100 1HA GLY 100 56.894 61.390 75.245 783 2HA GLY 100 2HA GLY 100 58.102 60.052 75.028 784 H GLU 101 H GLU 101 60.095 60.215 76.079 785 HA GLU 101 HA GLU 101 60.989 62.121 77.896 786 1HB GLU 101 2HB GLU 101 58.826 61.525 79.251 787 2HB GLU 101 1HB GLU 101 59.245 59.816 79.052 788 1HG GLU 101 2HG GLU 101 61.307 61.730 80.286 789 2HG GLU 101 1HG GLU 101 59.880 61.144 81.325 790 H LYS 102 H LYS 102 60.387 58.698 77.823 791 HA LYS 102 HA LYS 102 63.172 57.909 78.496 792 1HB LYS 102 2HB LYS 102 61.467 56.707 79.552 793 2HB LYS 102 1HB LYS 102 60.441 56.635 78.016 794 1HG LYS 102 2HG LYS 102 63.203 55.337 77.879 795 2HG LYS 102 1HG LYS 102 61.907 54.478 78.806 796 1HD LYS 102 2HD LYS 102 60.353 55.132 76.678 797 2HD LYS 102 1HD LYS 102 61.959 55.018 75.868 798 1HE LYS 102 2HE LYS 102 61.552 52.720 77.718 799 2HE LYS 102 1HE LYS 102 60.139 52.990 76.598 800 1HZ LYS 102 2HZ LYS 102 62.981 53.035 75.647 801 2HZ LYS 102 1HZ LYS 102 62.259 51.585 75.950 802 3HZ LYS 102 3HZ LYS 102 61.685 52.636 74.750 803 H GLU 103 H GLU 103 60.927 57.871 75.875 804 HA GLU 103 HA GLU 103 63.019 56.908 73.921 805 1HB GLU 103 2HB GLU 103 61.218 55.835 72.653 806 2HB GLU 103 1HB GLU 103 60.810 55.386 74.342 807 1HG GLU 103 2HG GLU 103 59.516 57.827 73.060 808 2HG GLU 103 1HG GLU 103 58.829 56.112 73.033 809 H ASN 104 H ASN 104 62.258 57.157 71.779 810 HA ASN 104 HA ASN 104 61.302 59.962 71.445 811 1HB ASN 104 2HB ASN 104 63.195 58.927 69.345 812 2HB ASN 104 1HB ASN 104 63.393 60.479 70.309 813 1HD2 ASN 104 1HD2 ASN 104 65.284 59.042 72.858 814 2HD2 ASN 104 2HD2 ASN 104 64.093 60.402 72.298 815 H ARG 105 H ARG 105 59.404 59.883 70.367 816 HA ARG 105 HA ARG 105 58.890 57.627 68.483 817 1HB ARG 105 2HB ARG 105 57.460 58.192 70.953 818 2HB ARG 105 1HB ARG 105 56.577 59.072 69.631 819 1HG ARG 105 2HG ARG 105 55.685 56.869 69.975 820 2HG ARG 105 1HG ARG 105 56.364 57.055 68.303 821 1HD ARG 105 2HD ARG 105 57.327 54.976 68.751 822 2HD ARG 105 1HD ARG 105 58.604 56.019 69.438 823 HE ARG 105 HE ARG 105 56.235 55.148 71.112 824 1HH1 ARG 105 2HH1 ARG 105 59.693 54.714 70.307 825 2HH1 ARG 105 1HH1 ARG 105 60.028 53.740 71.776 826 1HH2 ARG 105 1HH2 ARG 105 56.881 53.732 73.164 827 2HH2 ARG 105 2HH2 ARG 105 58.564 53.282 73.192 828 H GLY 106 H GLY 106 60.270 59.952 68.332 829 1HA GLY 106 1HA GLY 106 58.754 62.014 66.820 830 2HA GLY 106 2HA GLY 106 60.512 61.754 66.955 831 H TRP 107 H TRP 107 58.165 61.902 64.967 832 HA TRP 107 HA TRP 107 59.573 60.508 62.777 833 1HB TRP 107 2HB TRP 107 57.637 59.654 61.809 834 2HB TRP 107 1HB TRP 107 56.830 59.958 63.390 835 HD1 TRP 107 HD1 TRP 107 57.489 61.565 59.837 836 HE1 TRP 107 HE1 TRP 107 55.932 63.547 59.522 837 HE3 TRP 107 HE3 TRP 107 55.706 61.619 64.506 838 HZ2 TRP 107 HZ2 TRP 107 54.283 64.897 61.114 839 HZ3 TRP 107 HZ3 TRP 107 54.026 63.403 65.114 840 HH2 TRP 107 HH2 TRP 107 53.375 64.971 63.424 841 H LYS 108 H LYS 108 60.048 61.503 61.046 842 HA LYS 108 HA LYS 108 59.179 64.287 60.675 843 1HB LYS 108 2HB LYS 108 61.990 64.526 60.406 844 2HB LYS 108 1HB LYS 108 61.069 64.955 61.974 845 1HG LYS 108 2HG LYS 108 61.403 62.641 62.804 846 2HG LYS 108 1HG LYS 108 62.306 62.240 61.281 847 1HD LYS 108 2HD LYS 108 63.983 62.664 63.031 848 2HD LYS 108 1HD LYS 108 63.925 64.135 61.962 849 1HE LYS 108 2HE LYS 108 62.050 63.995 64.314 850 2HE LYS 108 1HE LYS 108 63.859 64.314 64.653 851 1HZ LYS 108 3HZ LYS 108 63.258 65.985 62.565 852 2HZ LYS 108 2HZ LYS 108 61.954 66.083 63.623 853 3HZ LYS 108 1HZ LYS 108 63.514 66.333 64.169 854 H GLN 109 H GLN 109 60.511 65.422 59.103 855 HA GLN 109 HA GLN 109 61.126 63.470 56.813 856 1HB GLN 109 2HB GLN 109 60.102 65.473 55.359 857 2HB GLN 109 1HB GLN 109 58.912 64.215 55.999 858 1HG GLN 109 2HG GLN 109 59.662 66.626 57.722 859 2HG GLN 109 1HG GLN 109 58.706 66.920 56.157 860 1HE2 GLN 109 2HE2 GLN 109 56.849 65.184 59.311 861 2HE2 GLN 109 1HE2 GLN 109 58.631 65.710 59.435 862 H TRP 110 H TRP 110 62.258 64.390 54.948 863 HA TRP 110 HA TRP 110 63.519 66.994 55.144 864 1HB TRP 110 2HB TRP 110 65.810 66.102 55.740 865 2HB TRP 110 1HB TRP 110 64.532 66.269 57.052 866 HD1 TRP 110 HD1 TRP 110 64.896 63.158 54.649 867 HE1 TRP 110 HE1 TRP 110 65.263 61.150 56.306 868 HE3 TRP 110 HE3 TRP 110 65.064 65.755 58.784 869 HZ2 TRP 110 HZ2 TRP 110 65.602 60.916 59.098 870 HZ3 TRP 110 HZ3 TRP 110 65.429 64.749 60.998 871 HH2 TRP 110 HH2 TRP 110 65.693 62.311 61.104 872 H VAL 111 H VAL 111 62.439 66.471 53.074 873 HA VAL 111 HA VAL 111 62.798 65.119 50.871 874 HB VAL 111 HB VAL 111 63.575 68.061 51.239 875 1HG1 VAL 111 1HG1 VAL 111 63.228 66.520 48.638 876 2HG1 VAL 111 3HG1 VAL 111 62.840 68.252 48.740 877 3HG1 VAL 111 2HG1 VAL 111 64.526 67.684 49.110 878 1HG2 VAL 111 2HG2 VAL 111 61.106 66.687 51.461 879 2HG2 VAL 111 1HG2 VAL 111 61.300 68.493 51.344 880 3HG2 VAL 111 3HG2 VAL 111 61.088 67.510 49.827 881 H GLU 112 H GLU 112 64.412 63.648 50.674 882 HA GLU 112 HA GLU 112 67.145 64.700 50.581 883 1HB GLU 112 2HB GLU 112 66.067 61.852 50.509 884 2HB GLU 112 1HB GLU 112 67.820 62.265 50.521 885 1HG GLU 112 2HG GLU 112 66.912 63.838 52.578 886 2HG GLU 112 1HG GLU 112 65.852 62.242 52.696 887 H GLY 113 H GLY 113 65.541 65.509 48.560 888 1HA GLY 113 1HA GLY 113 66.481 65.947 46.243 889 2HA GLY 113 2HA GLY 113 66.835 64.169 46.115 890 H ASP 114 H ASP 114 65.417 62.840 45.358 891 HA ASP 114 HA ASP 114 62.931 64.026 44.104 892 1HB ASP 114 2HB ASP 114 64.851 61.684 43.320 893 2HB ASP 114 1HB ASP 114 63.313 62.156 42.418 894 H LYS 115 H LYS 115 63.456 62.574 46.786 895 HA LYS 115 HA LYS 115 60.804 61.415 46.926 896 1HB LYS 115 2HB LYS 115 61.399 59.125 47.677 897 2HB LYS 115 1HB LYS 115 62.103 59.415 46.023 898 1HG LYS 115 2HG LYS 115 64.241 60.309 47.517 899 2HG LYS 115 1HG LYS 115 63.555 59.050 48.633 900 1HD LYS 115 2HD LYS 115 63.408 57.581 46.405 901 2HD LYS 115 1HD LYS 115 64.611 58.778 45.796 902 1HE LYS 115 2HE LYS 115 65.993 58.304 47.953 903 2HE LYS 115 1HE LYS 115 64.724 57.169 48.451 904 1HZ LYS 115 3HZ LYS 115 66.055 56.620 45.860 905 2HZ LYS 115 2HZ LYS 115 66.812 56.222 47.273 906 3HZ LYS 115 1HZ LYS 115 65.267 55.621 46.904 907 H LEU 116 H LEU 116 60.056 60.969 48.885 908 HA LEU 116 HA LEU 116 61.423 62.830 50.826 909 1HB LEU 116 2HB LEU 116 58.685 61.705 50.487 910 2HB LEU 116 1HB LEU 116 59.201 62.060 52.178 911 HG LEU 116 HG LEU 116 58.015 63.930 50.706 912 1HD1 LEU 116 3HD1 LEU 116 60.457 64.151 52.612 913 2HD1 LEU 116 2HD1 LEU 116 59.263 65.531 52.311 914 3HD1 LEU 116 1HD1 LEU 116 58.786 64.031 53.171 915 1HD2 LEU 116 3HD2 LEU 116 60.247 63.704 49.134 916 2HD2 LEU 116 2HD2 LEU 116 59.446 65.300 49.320 917 3HD2 LEU 116 1HD2 LEU 116 60.905 64.830 50.375 918 H TYR 117 H TYR 117 61.103 62.301 53.111 919 HA TYR 117 HA TYR 117 61.844 59.443 53.567 920 1HB TYR 117 2HB TYR 117 63.725 61.901 53.725 921 2HB TYR 117 1HB TYR 117 63.892 60.641 55.008 922 HD1 TYR 117 HD2 TYR 117 64.063 61.273 51.248 923 HD2 TYR 117 HD1 TYR 117 64.921 58.382 54.388 924 HE1 TYR 117 HE2 TYR 117 65.322 59.952 49.706 925 HE2 TYR 117 HE1 TYR 117 66.194 57.074 52.784 926 HH TYR 117 HH TYR 117 66.084 56.850 50.112 927 H LEU 118 H LEU 118 60.119 59.182 54.610 928 HA LEU 118 HA LEU 118 59.640 60.787 57.112 929 1HB LEU 118 2HB LEU 118 58.259 58.496 55.612 930 2HB LEU 118 1HB LEU 118 57.623 59.056 57.251 931 HG LEU 118 HG LEU 118 57.597 60.672 54.704 932 1HD1 LEU 118 2HD1 LEU 118 55.791 59.056 56.343 933 2HD1 LEU 118 1HD1 LEU 118 55.291 60.782 56.438 934 3HD1 LEU 118 3HD1 LEU 118 55.385 60.030 54.845 935 1HD2 LEU 118 2HD2 LEU 118 57.411 61.472 57.704 936 2HD2 LEU 118 1HD2 LEU 118 58.347 62.356 56.385 937 3HD2 LEU 118 3HD2 LEU 118 56.584 62.422 56.348 938 H GLU 119 H GLU 119 61.997 60.005 57.503 939 HA GLU 119 HA GLU 119 62.380 57.378 58.752 940 1HB GLU 119 2HB GLU 119 64.055 59.958 58.400 941 2HB GLU 119 1HB GLU 119 64.599 58.577 59.392 942 1HG GLU 119 2HG GLU 119 64.022 57.108 57.217 943 2HG GLU 119 1HG GLU 119 64.052 58.723 56.384 944 H LEU 120 H LEU 120 60.975 57.074 60.289 945 HA LEU 120 HA LEU 120 61.069 59.214 62.370 946 1HB LEU 120 2HB LEU 120 59.183 58.344 63.356 947 2HB LEU 120 1HB LEU 120 58.977 57.962 61.552 948 HG LEU 120 HG LEU 120 60.323 55.755 62.954 949 1HD1 LEU 120 1HD1 LEU 120 58.632 56.724 64.747 950 2HD1 LEU 120 3HD1 LEU 120 57.330 55.998 63.672 951 3HD1 LEU 120 2HD1 LEU 120 58.624 54.938 64.307 952 1HD2 LEU 120 2HD2 LEU 120 57.738 55.826 61.267 953 2HD2 LEU 120 1HD2 LEU 120 59.418 55.527 60.673 954 3HD2 LEU 120 3HD2 LEU 120 58.620 54.402 61.865 955 H THR 121 H THR 121 60.850 58.199 64.633 956 HA THR 121 HA THR 121 63.118 56.238 65.103 957 HB THR 121 HB THR 121 62.599 59.049 66.240 958 HG1 THR 121 1HG THR 121 65.104 58.527 65.668 959 1HG2 THR 121 1HG2 THR 121 64.435 56.679 67.292 960 2HG2 THR 121 3HG2 THR 121 64.640 58.396 67.916 961 3HG2 THR 121 2HG2 THR 121 63.093 57.440 68.166 962 H CYS 122 H CYS 122 62.872 55.137 67.340 963 HA CYS 122 HA CYS 122 60.303 55.422 68.651 964 1HB CYS 122 2HB CYS 122 60.128 52.709 68.000 965 2HB CYS 122 1HB CYS 122 59.179 53.939 67.178 966 HG CYS 122 HG CYS 122 61.003 51.894 65.905 967 H GLY 123 H GLY 123 62.017 55.872 70.049 968 1HA GLY 123 1HA GLY 123 63.132 55.266 72.080 969 2HA GLY 123 2HA GLY 123 62.300 53.703 71.879 970 H ASP 124 H ASP 124 64.274 55.103 69.451 971 HA ASP 124 HA ASP 124 66.328 54.809 68.521 972 1HB ASP 124 2HB ASP 124 66.885 52.682 70.731 973 2HB ASP 124 1HB ASP 124 68.105 53.736 69.804 974 H GLN 125 H GLN 125 64.292 53.629 67.479 975 HA GLN 125 HA GLN 125 65.442 50.931 66.575 976 1HB GLN 125 2HB GLN 125 62.712 51.585 67.636 977 2HB GLN 125 1HB GLN 125 62.742 50.668 66.094 978 1HG GLN 125 2HG GLN 125 64.542 49.830 68.452 979 2HG GLN 125 1HG GLN 125 62.790 49.323 68.270 980 1HE2 GLN 125 1HE2 GLN 125 63.344 47.510 65.257 981 2HE2 GLN 125 2HE2 GLN 125 62.153 48.553 66.278 982 H VAL 126 H VAL 126 65.600 53.759 65.972 983 HA VAL 126 HA VAL 126 64.598 55.219 64.245 984 HB VAL 126 HB VAL 126 66.911 55.523 64.696 985 1HG1 VAL 126 3HG1 VAL 126 67.199 52.753 63.272 986 2HG1 VAL 126 2HG1 VAL 126 68.620 53.961 63.262 987 3HG1 VAL 126 1HG1 VAL 126 67.917 53.316 64.795 988 1HG2 VAL 126 1HG2 VAL 126 65.967 56.127 62.249 989 2HG2 VAL 126 3HG2 VAL 126 67.680 56.421 62.643 990 3HG2 VAL 126 2HG2 VAL 126 67.204 54.947 61.725 991 H CYS 127 H CYS 127 62.817 54.121 63.209 992 HA CYS 127 HA CYS 127 63.184 52.236 60.987 993 1HB CYS 127 2HB CYS 127 60.988 52.515 62.186 994 2HB CYS 127 1HB CYS 127 60.966 54.267 61.817 995 HG CYS 127 HG CYS 127 60.184 54.189 59.562 996 H ARG 128 H ARG 128 63.047 52.554 58.821 997 HA ARG 128 HA ARG 128 63.517 55.421 58.040 998 1HB ARG 128 2HB ARG 128 65.152 53.642 56.342 999 2HB ARG 128 1HB ARG 128 65.657 55.027 57.407 1000 1HG ARG 128 2HG ARG 128 66.932 53.249 58.211 1001 2HG ARG 128 1HG ARG 128 65.623 53.502 59.446 1002 1HD ARG 128 2HD ARG 128 64.674 51.518 59.094 1003 2HD ARG 128 1HD ARG 128 64.857 51.628 57.280 1004 HE ARG 128 HE ARG 128 66.440 50.004 59.013 1005 1HH1 ARG 128 2HH1 ARG 128 67.075 52.249 56.137 1006 2HH1 ARG 128 1HH1 ARG 128 68.510 51.318 55.775 1007 1HH2 ARG 128 1HH2 ARG 128 68.289 48.980 58.340 1008 2HH2 ARG 128 2HH2 ARG 128 69.139 49.584 56.930 1009 H GLN 129 H GLN 129 61.651 55.785 57.070 1010 HA GLN 129 HA GLN 129 60.788 53.645 55.161 1011 1HB GLN 129 2HB GLN 129 59.860 56.586 55.249 1012 2HB GLN 129 1HB GLN 129 58.910 55.115 54.633 1013 1HG GLN 129 2HG GLN 129 58.800 54.168 56.894 1014 2HG GLN 129 1HG GLN 129 59.666 55.648 57.581 1015 1HE2 GLN 129 2HE2 GLN 129 55.846 56.004 55.837 1016 2HE2 GLN 129 1HE2 GLN 129 57.060 54.995 55.094 1017 H VAL 130 H VAL 130 60.167 54.223 52.770 1018 HA VAL 130 HA VAL 130 62.301 55.926 51.668 1019 HB VAL 130 HB VAL 130 61.676 52.988 50.659 1020 1HG1 VAL 130 2HG1 VAL 130 63.066 55.447 49.499 1021 2HG1 VAL 130 1HG1 VAL 130 63.809 53.809 49.217 1022 3HG1 VAL 130 3HG1 VAL 130 62.108 54.117 48.692 1023 1HG2 VAL 130 2HG2 VAL 130 63.605 53.663 52.591 1024 2HG2 VAL 130 1HG2 VAL 130 63.442 52.187 51.565 1025 3HG2 VAL 130 3HG2 VAL 130 64.538 53.540 51.046 1026 H PHE 131 H PHE 131 61.761 56.836 49.897 1027 HA PHE 131 HA PHE 131 58.870 56.479 48.937 1028 1HB PHE 131 2HB PHE 131 60.688 58.818 49.596 1029 2HB PHE 131 1HB PHE 131 59.282 59.080 48.471 1030 HD1 PHE 131 HD1 PHE 131 60.077 57.444 51.874 1031 HD2 PHE 131 HD2 PHE 131 57.296 59.559 49.368 1032 HE1 PHE 131 HE1 PHE 131 58.464 57.518 53.765 1033 HE2 PHE 131 HE2 PHE 131 55.742 59.604 51.270 1034 HZ PHE 131 HZ PHE 131 56.335 58.587 53.440 1035 H LYS 132 H LYS 132 58.439 57.981 47.076 1036 HA LYS 132 HA LYS 132 60.471 58.182 44.989 1037 1HB LYS 132 2HB LYS 132 59.961 55.646 44.701 1038 2HB LYS 132 1HB LYS 132 58.299 55.977 45.273 1039 1HG LYS 132 2HG LYS 132 58.589 55.389 42.865 1040 2HG LYS 132 1HG LYS 132 57.688 56.967 43.058 1041 1HD LYS 132 2HD LYS 132 60.030 58.090 42.902 1042 2HD LYS 132 1HD LYS 132 60.503 56.538 42.068 1043 1HE LYS 132 2HE LYS 132 58.178 56.994 40.762 1044 2HE LYS 132 1HE LYS 132 58.608 58.735 41.150 1045 1HZ LYS 132 1HZ LYS 132 60.587 56.863 40.050 1046 2HZ LYS 132 3HZ LYS 132 59.498 57.476 39.006 1047 3HZ LYS 132 2HZ LYS 132 60.513 58.517 39.876 1048 H LYS 133 H LYS 133 59.805 60.060 44.592 1049 HA LYS 133 HA LYS 133 57.086 61.144 44.974 1050 1HB LYS 133 2HB LYS 133 59.316 62.495 44.571 1051 2HB LYS 133 1HB LYS 133 58.903 62.167 42.822 1052 1HG LYS 133 2HG LYS 133 56.582 63.167 43.314 1053 2HG LYS 133 1HG LYS 133 57.046 63.396 45.044 1054 1HD LYS 133 2HD LYS 133 57.132 65.509 43.790 1055 2HD LYS 133 1HD LYS 133 58.771 65.016 44.437 1056 1HE LYS 133 2HE LYS 133 59.596 64.274 42.424 1057 2HE LYS 133 1HE LYS 133 57.909 64.105 41.711 1058 1HZ LYS 133 2HZ LYS 133 59.004 66.754 42.444 1059 2HZ LYS 133 1HZ LYS 133 59.297 66.134 40.960 1060 3HZ LYS 133 3HZ LYS 133 57.715 66.421 41.426 1061 H LYS 134 H LYS 134 55.697 59.762 44.298 1062 HA LYS 134 HA LYS 134 53.977 59.010 42.744 1063 1HB LYS 134 2HB LYS 134 55.227 61.482 41.716 1064 2HB LYS 134 1HB LYS 134 54.922 60.445 40.334 1065 1HG LYS 134 2HG LYS 134 52.509 60.265 41.027 1066 2HG LYS 134 1HG LYS 134 52.887 61.339 42.481 1067 1HD LYS 134 2HD LYS 134 54.027 62.786 40.442 1068 2HD LYS 134 1HD LYS 134 52.592 62.046 39.589 1069 1HE LYS 134 2HE LYS 134 51.570 62.742 42.087 1070 2HE LYS 134 1HE LYS 134 52.660 64.156 41.697 1071 1HZ LYS 134 2HZ LYS 134 50.659 63.013 39.769 1072 2HZ LYS 134 1HZ LYS 134 50.303 64.273 40.852 1073 3HZ LYS 134 3HZ LYS 134 51.452 64.408 39.627 No H/Q in entry = 1073 Start of MODEL 7 1 1H MET 1 3H MET 1 60.957 74.933 46.547 2 2H MET 1 2H MET 1 62.185 74.383 45.525 3 3H MET 1 1H MET 1 60.573 74.421 45.062 4 HA MET 1 HA MET 1 59.968 72.726 46.693 5 1HB MET 1 2HB MET 1 62.660 71.966 45.353 6 2HB MET 1 1HB MET 1 61.283 70.855 45.832 7 1HG MET 1 2HG MET 1 59.725 72.081 44.219 8 2HG MET 1 1HG MET 1 61.004 73.096 43.683 9 1HE MET 1 1HE MET 1 58.976 70.425 43.509 10 2HE MET 1 3HE MET 1 59.307 69.800 41.813 11 3HE MET 1 2HE MET 1 59.696 68.823 43.164 12 H THR 2 H THR 2 60.350 73.566 48.723 13 HA THR 2 HA THR 2 62.884 72.385 49.898 14 HB THR 2 HB THR 2 63.557 74.307 50.903 15 HG1 THR 2 1HG THR 2 62.004 75.728 51.876 16 1HG2 THR 2 1HG2 THR 2 62.486 75.114 48.509 17 2HG2 THR 2 3HG2 THR 2 61.135 75.781 49.477 18 3HG2 THR 2 2HG2 THR 2 62.788 76.408 49.713 19 H LYS 3 H LYS 3 59.773 73.866 50.746 20 HA LYS 3 HA LYS 3 59.329 71.468 52.577 21 1HB LYS 3 2HB LYS 3 58.478 73.082 54.359 22 2HB LYS 3 1HB LYS 3 60.267 73.341 53.982 23 1HG LYS 3 2HG LYS 3 59.344 75.072 52.210 24 2HG LYS 3 1HG LYS 3 57.822 74.919 53.172 25 1HD LYS 3 2HD LYS 3 59.174 75.450 55.278 26 2HD LYS 3 1HD LYS 3 60.661 75.522 54.210 27 1HE LYS 3 2HE LYS 3 59.719 77.748 54.886 28 2HE LYS 3 1HE LYS 3 59.709 77.508 53.062 29 1HZ LYS 3 3HZ LYS 3 57.385 76.772 53.295 30 2HZ LYS 3 2HZ LYS 3 57.349 77.132 54.924 31 3HZ LYS 3 1HZ LYS 3 57.515 78.341 53.810 32 H ASP 4 H ASP 4 57.854 74.339 50.875 33 HA ASP 4 HA ASP 4 55.217 73.198 51.351 34 1HB ASP 4 2HB ASP 4 55.773 75.768 51.016 35 2HB ASP 4 1HB ASP 4 55.917 75.343 49.250 36 H GLN 5 H GLN 5 55.374 71.057 50.309 37 HA GLN 5 HA GLN 5 55.653 71.117 47.301 38 1HB GLN 5 2HB GLN 5 56.238 69.074 49.576 39 2HB GLN 5 1HB GLN 5 56.465 68.678 47.776 40 1HG GLN 5 2HG GLN 5 58.111 70.339 47.539 41 2HG GLN 5 1HG GLN 5 57.925 70.845 49.350 42 1HE2 GLN 5 2HE2 GLN 5 59.167 67.843 50.672 43 2HE2 GLN 5 1HE2 GLN 5 57.916 69.061 50.867 44 H ASN 6 H ASN 6 54.048 70.311 46.308 45 HA ASN 6 HA ASN 6 51.668 69.219 47.844 46 1HB ASN 6 2HB ASN 6 51.483 70.932 45.194 47 2HB ASN 6 1HB ASN 6 50.162 70.460 46.362 48 1HD2 ASN 6 2HD2 ASN 6 50.832 72.731 48.828 49 2HD2 ASN 6 1HD2 ASN 6 50.126 71.031 48.343 50 H GLY 7 H GLY 7 52.635 67.262 47.429 51 1HA GLY 7 1HA GLY 7 51.944 66.297 44.644 52 2HA GLY 7 2HA GLY 7 53.421 65.747 45.523 53 H THR 8 H THR 8 53.008 63.803 45.432 54 HA THR 8 HA THR 8 51.436 62.508 47.426 55 HB THR 8 HB THR 8 49.827 62.711 45.167 56 HG1 THR 8 1HG THR 8 48.844 61.389 46.410 57 1HG2 THR 8 2HG2 THR 8 51.758 61.339 43.837 58 2HG2 THR 8 1HG2 THR 8 51.497 60.009 45.094 59 3HG2 THR 8 3HG2 THR 8 50.214 60.460 43.921 60 H TRP 9 H TRP 9 52.067 60.419 47.615 61 HA TRP 9 HA TRP 9 54.375 59.624 45.958 62 1HB TRP 9 2HB TRP 9 55.145 59.452 48.818 63 2HB TRP 9 1HB TRP 9 56.218 59.758 47.416 64 HD1 TRP 9 HD1 TRP 9 53.243 61.929 48.826 65 HE1 TRP 9 HE1 TRP 9 54.026 64.350 49.301 66 HE3 TRP 9 HE3 TRP 9 57.851 61.114 47.580 67 HZ2 TRP 9 HZ2 TRP 9 56.433 65.573 49.074 68 HZ3 TRP 9 HZ3 TRP 9 59.511 62.946 47.697 69 HH2 TRP 9 HH2 TRP 9 58.828 65.126 48.426 70 H GLU 10 H GLU 10 54.532 57.512 45.522 71 HA GLU 10 HA GLU 10 53.003 55.757 47.389 72 1HB GLU 10 2HB GLU 10 54.673 54.676 45.004 73 2HB GLU 10 1HB GLU 10 53.199 54.008 45.800 74 1HG GLU 10 2HG GLU 10 52.352 56.496 44.927 75 2HG GLU 10 1HG GLU 10 53.661 56.007 43.691 76 H MET 11 H MET 11 54.188 55.746 49.165 77 HA MET 11 HA MET 11 56.880 55.833 49.814 78 1HB MET 11 2HB MET 11 54.360 54.816 51.067 79 2HB MET 11 1HB MET 11 55.664 53.546 51.192 80 1HG MET 11 2HG MET 11 56.773 54.588 52.854 81 2HG MET 11 1HG MET 11 56.848 56.031 51.815 82 1HE MET 11 1HE MET 11 55.138 53.696 54.197 83 2HE MET 11 3HE MET 11 54.853 54.829 55.570 84 3HE MET 11 2HE MET 11 53.486 54.467 54.589 85 H GLU 12 H GLU 12 55.153 53.104 48.344 86 HA GLU 12 HA GLU 12 55.881 51.459 47.003 87 1HB GLU 12 2HB GLU 12 58.052 53.273 46.789 88 2HB GLU 12 1HB GLU 12 58.790 51.703 47.327 89 1HG GLU 12 2HG GLU 12 56.940 50.896 45.361 90 2HG GLU 12 1HG GLU 12 57.573 52.543 44.743 91 H SER 13 H SER 13 58.528 51.876 49.288 92 HA SER 13 HA SER 13 57.801 49.243 50.615 93 1HB SER 13 2HB SER 13 60.695 50.261 49.924 94 2HB SER 13 1HB SER 13 60.167 48.611 50.558 95 HG SER 13 HG SER 13 60.498 48.443 48.462 96 H ASN 14 H ASN 14 58.964 48.923 52.382 97 HA ASN 14 HA ASN 14 59.822 51.208 54.018 98 1HB ASN 14 2HB ASN 14 57.858 49.251 55.429 99 2HB ASN 14 1HB ASN 14 57.970 51.085 55.549 100 1HD2 ASN 14 1HD2 ASN 14 55.844 49.336 52.492 101 2HD2 ASN 14 2HD2 ASN 14 57.308 48.412 53.282 102 H GLU 15 H GLU 15 61.219 50.770 55.530 103 HA GLU 15 HA GLU 15 62.373 48.060 55.268 104 1HB GLU 15 2HB GLU 15 63.100 50.504 57.046 105 2HB GLU 15 1HB GLU 15 64.064 48.988 57.040 106 1HG GLU 15 2HG GLU 15 63.443 49.922 54.276 107 2HG GLU 15 1HG GLU 15 64.454 51.096 55.291 108 H ASN 16 H ASN 16 61.712 49.993 58.236 109 HA ASN 16 HA ASN 16 60.826 47.522 59.631 110 1HB ASN 16 2HB ASN 16 62.590 49.080 60.622 111 2HB ASN 16 1HB ASN 16 61.197 50.318 60.767 112 1HD2 ASN 16 2HD2 ASN 16 61.053 48.716 64.012 113 2HD2 ASN 16 1HD2 ASN 16 61.935 50.094 63.005 114 H PHE 17 H PHE 17 58.907 47.277 60.446 115 HA PHE 17 HA PHE 17 56.947 49.579 60.131 116 1HB PHE 17 2HB PHE 17 56.347 48.562 58.171 117 2HB PHE 17 1HB PHE 17 56.986 46.939 58.704 118 HD1 PHE 17 HD1 PHE 17 54.381 49.479 59.832 119 HD2 PHE 17 HD2 PHE 17 55.373 45.341 59.190 120 HE1 PHE 17 HE1 PHE 17 52.176 48.823 60.624 121 HE2 PHE 17 HE2 PHE 17 53.147 44.666 59.986 122 HZ PHE 17 HZ PHE 17 51.470 46.382 60.725 123 H GLU 18 H GLU 18 57.214 46.144 60.932 124 HA GLU 18 HA GLU 18 55.083 46.148 62.986 125 1HB GLU 18 2HB GLU 18 55.877 44.053 61.705 126 2HB GLU 18 1HB GLU 18 57.570 44.345 62.359 127 1HG GLU 18 2HG GLU 18 55.811 44.243 64.576 128 2HG GLU 18 1HG GLU 18 55.468 42.747 63.512 129 H GLY 19 H GLY 19 58.609 46.034 63.053 130 1HA GLY 19 1HA GLY 19 58.843 45.973 65.889 131 2HA GLY 19 2HA GLY 19 60.127 46.583 64.751 132 H TYR 20 H TYR 20 58.007 48.564 63.692 133 HA TYR 20 HA TYR 20 58.675 50.764 65.667 134 1HB TYR 20 2HB TYR 20 58.682 51.559 63.319 135 2HB TYR 20 1HB TYR 20 57.380 50.401 62.891 136 HD1 TYR 20 HD2 TYR 20 57.686 52.994 65.550 137 HD2 TYR 20 HD1 TYR 20 55.487 51.508 62.231 138 HE1 TYR 20 HE2 TYR 20 56.058 54.757 65.887 139 HE2 TYR 20 HE1 TYR 20 53.754 53.230 62.486 140 HH TYR 20 HH TYR 20 54.198 55.767 65.098 141 H MET 21 H MET 21 56.114 48.810 64.450 142 HA MET 21 HA MET 21 53.911 50.005 65.997 143 1HB MET 21 2HB MET 21 54.473 47.886 63.962 144 2HB MET 21 1HB MET 21 53.989 47.056 65.425 145 1HG MET 21 2HG MET 21 52.146 47.474 63.774 146 2HG MET 21 1HG MET 21 51.706 48.111 65.343 147 1HE MET 21 1HE MET 21 50.498 48.279 62.676 148 2HE MET 21 3HE MET 21 49.699 49.685 63.502 149 3HE MET 21 2HE MET 21 50.330 49.972 61.983 150 H LYS 22 H LYS 22 56.335 47.813 66.406 151 HA LYS 22 HA LYS 22 55.468 46.410 68.839 152 1HB LYS 22 2HB LYS 22 57.065 45.571 66.860 153 2HB LYS 22 1HB LYS 22 58.353 46.619 67.660 154 1HG LYS 22 2HG LYS 22 56.852 44.882 69.465 155 2HG LYS 22 1HG LYS 22 57.950 44.009 68.248 156 1HD LYS 22 2HD LYS 22 58.893 46.505 69.809 157 2HD LYS 22 1HD LYS 22 59.143 44.766 70.404 158 1HE LYS 22 2HE LYS 22 60.012 44.529 67.849 159 2HE LYS 22 1HE LYS 22 60.276 46.326 68.020 160 1HZ LYS 22 1HZ LYS 22 61.333 44.358 69.983 161 2HZ LYS 22 3HZ LYS 22 62.235 45.049 68.717 162 3HZ LYS 22 2HZ LYS 22 61.623 46.001 69.889 163 H ALA 23 H ALA 23 57.382 48.989 67.832 164 HA ALA 23 HA ALA 23 58.978 49.362 70.176 165 1HB ALA 23 3HB ALA 23 59.137 50.549 67.841 166 2HB ALA 23 2HB ALA 23 57.798 51.657 68.423 167 3HB ALA 23 1HB ALA 23 59.329 51.608 69.347 168 H LEU 24 H LEU 24 55.949 50.360 69.152 169 HA LEU 24 HA LEU 24 55.158 52.304 71.215 170 1HB LEU 24 2HB LEU 24 53.887 50.581 68.930 171 2HB LEU 24 1HB LEU 24 52.837 51.221 70.243 172 HG LEU 24 HG LEU 24 52.789 52.715 68.336 173 1HD1 LEU 24 1HD1 LEU 24 53.338 53.505 71.032 174 2HD1 LEU 24 3HD1 LEU 24 54.325 54.601 69.934 175 3HD1 LEU 24 2HD1 LEU 24 52.525 54.447 69.754 176 1HD2 LEU 24 1HD2 LEU 24 55.755 52.342 68.444 177 2HD2 LEU 24 3HD2 LEU 24 54.607 52.707 67.070 178 3HD2 LEU 24 2HD2 LEU 24 55.277 54.034 68.135 179 H ASP 25 H ASP 25 54.580 49.107 70.293 180 HA ASP 25 HA ASP 25 54.379 47.073 71.559 181 1HB ASP 25 2HB ASP 25 54.773 48.831 73.520 182 2HB ASP 25 1HB ASP 25 52.955 48.738 73.647 183 H ILE 26 H ILE 26 52.875 48.249 69.626 184 HA ILE 26 HA ILE 26 50.039 47.765 70.494 185 HB ILE 26 HB ILE 26 50.986 49.953 69.278 186 1HG1 ILE 26 2HG1 ILE 26 48.397 48.412 68.948 187 2HG1 ILE 26 1HG1 ILE 26 48.775 49.861 69.937 188 1HG2 ILE 26 3HG2 ILE 26 51.569 48.109 67.273 189 2HG2 ILE 26 2HG2 ILE 26 49.836 48.507 66.826 190 3HG2 ILE 26 1HG2 ILE 26 51.103 49.815 66.925 191 1HD1 ILE 26 3HD1 ILE 26 49.325 51.047 67.577 192 2HD1 ILE 26 2HD1 ILE 26 48.310 49.731 66.856 193 3HD1 ILE 26 1HD1 ILE 26 47.607 50.861 68.031 194 H ASP 27 H ASP 27 52.289 45.897 69.881 195 HA ASP 27 HA ASP 27 51.182 44.556 67.423 196 1HB ASP 27 2HB ASP 27 53.599 43.988 69.308 197 2HB ASP 27 1HB ASP 27 53.049 42.761 68.035 198 H PHE 28 H PHE 28 50.365 42.579 67.240 199 HA PHE 28 HA PHE 28 49.931 40.789 69.331 200 1HB PHE 28 2HB PHE 28 47.267 41.343 69.403 201 2HB PHE 28 1HB PHE 28 48.494 42.105 70.533 202 HD1 PHE 28 HD1 PHE 28 48.047 43.166 66.933 203 HD2 PHE 28 HD2 PHE 28 47.271 43.923 71.057 204 HE1 PHE 28 HE1 PHE 28 47.300 45.478 66.325 205 HE2 PHE 28 HE2 PHE 28 46.504 46.256 70.513 206 HZ PHE 28 HZ PHE 28 46.536 46.998 68.087 207 H ALA 29 H ALA 29 50.758 40.597 66.892 208 HA ALA 29 HA ALA 29 50.661 39.275 65.008 209 1HB ALA 29 1HB ALA 29 49.235 37.752 66.944 210 2HB ALA 29 3HB ALA 29 47.894 38.111 65.770 211 3HB ALA 29 2HB ALA 29 49.404 37.281 65.205 212 H THR 30 H THR 30 50.185 41.603 64.922 213 HA THR 30 HA THR 30 47.788 42.182 63.251 214 HB THR 30 HB THR 30 49.315 43.645 65.164 215 HG1 THR 30 1HG THR 30 47.114 43.764 64.903 216 1HG2 THR 30 1HG2 THR 30 49.212 44.823 62.291 217 2HG2 THR 30 3HG2 THR 30 49.447 45.768 63.823 218 3HG2 THR 30 2HG2 THR 30 50.738 44.591 63.293 219 H ARG 31 H ARG 31 51.292 42.394 63.202 220 HA ARG 31 HA ARG 31 51.661 43.443 60.552 221 1HB ARG 31 2HB ARG 31 54.027 43.048 60.870 222 2HB ARG 31 1HB ARG 31 53.383 43.343 62.504 223 1HG ARG 31 2HG ARG 31 53.387 40.377 61.678 224 2HG ARG 31 1HG ARG 31 54.964 41.244 61.991 225 1HD ARG 31 2HD ARG 31 53.680 42.152 64.153 226 2HD ARG 31 1HD ARG 31 52.505 40.835 63.825 227 HE ARG 31 HE ARG 31 54.967 39.598 63.711 228 1HH1 ARG 31 1HH1 ARG 31 53.123 41.683 65.999 229 2HH1 ARG 31 2HH1 ARG 31 53.828 40.958 67.459 230 1HH2 ARG 31 1HH2 ARG 31 55.932 38.632 65.810 231 2HH2 ARG 31 2HH2 ARG 31 55.314 39.340 67.331 232 H LYS 32 H LYS 32 53.299 42.087 59.057 233 HA LYS 32 HA LYS 32 53.626 40.326 57.695 234 1HB LYS 32 2HB LYS 32 53.003 39.112 60.004 235 2HB LYS 32 1HB LYS 32 51.475 38.751 59.130 236 1HG LYS 32 2HG LYS 32 52.517 36.900 58.177 237 2HG LYS 32 1HG LYS 32 53.620 38.046 57.307 238 1HD LYS 32 2HD LYS 32 55.080 38.263 59.356 239 2HD LYS 32 1HD LYS 32 54.059 37.105 60.224 240 1HE LYS 32 2HE LYS 32 55.045 35.282 59.157 241 2HE LYS 32 1HE LYS 32 55.011 36.078 57.511 242 1HZ LYS 32 3HZ LYS 32 56.769 37.135 59.521 243 2HZ LYS 32 2HZ LYS 32 57.249 35.766 58.642 244 3HZ LYS 32 1HZ LYS 32 56.963 37.198 57.886 245 H ILE 33 H ILE 33 51.179 42.249 58.088 246 HA ILE 33 HA ILE 33 49.895 41.299 55.640 247 HB ILE 33 HB ILE 33 48.378 42.114 58.214 248 1HG1 ILE 33 2HG1 ILE 33 47.392 39.621 56.948 249 2HG1 ILE 33 1HG1 ILE 33 49.167 39.546 57.264 250 1HG2 ILE 33 3HG2 ILE 33 47.347 41.601 55.283 251 2HG2 ILE 33 2HG2 ILE 33 46.287 41.428 56.737 252 3HG2 ILE 33 1HG2 ILE 33 47.097 43.012 56.367 253 1HD1 ILE 33 3HD1 ILE 33 47.153 40.758 59.323 254 2HD1 ILE 33 2HD1 ILE 33 47.446 38.951 59.223 255 3HD1 ILE 33 1HD1 ILE 33 48.788 40.097 59.684 256 H ALA 34 H ALA 34 49.807 43.660 58.303 257 HA ALA 34 HA ALA 34 48.942 45.954 56.613 258 1HB ALA 34 2HB ALA 34 48.859 45.299 59.386 259 2HB ALA 34 1HB ALA 34 50.189 46.491 59.313 260 3HB ALA 34 3HB ALA 34 48.539 46.941 58.707 261 H VAL 35 H VAL 35 51.779 44.344 56.698 262 HA VAL 35 HA VAL 35 53.814 46.273 57.011 263 HB VAL 35 HB VAL 35 53.647 44.277 54.675 264 1HG1 VAL 35 1HG1 VAL 35 55.667 46.049 55.513 265 2HG1 VAL 35 3HG1 VAL 35 56.178 44.532 56.325 266 3HG1 VAL 35 2HG1 VAL 35 55.974 44.545 54.538 267 1HG2 VAL 35 1HG2 VAL 35 53.499 43.671 57.556 268 2HG2 VAL 35 3HG2 VAL 35 53.452 42.606 56.047 269 3HG2 VAL 35 2HG2 VAL 35 55.037 43.025 56.805 270 H ARG 36 H ARG 36 51.444 45.740 54.660 271 HA ARG 36 HA ARG 36 51.181 48.282 53.510 272 1HB ARG 36 2HB ARG 36 53.147 48.621 52.497 273 2HB ARG 36 1HB ARG 36 53.559 46.806 52.571 274 1HG ARG 36 2HG ARG 36 53.238 46.650 50.365 275 2HG ARG 36 1HG ARG 36 51.507 47.321 50.508 276 1HD ARG 36 2HD ARG 36 52.016 49.219 49.801 277 2HD ARG 36 1HD ARG 36 53.514 49.445 50.770 278 HE ARG 36 HE ARG 36 54.735 48.725 48.832 279 1HH1 ARG 36 1HH1 ARG 36 51.380 47.628 48.651 280 2HH1 ARG 36 2HH1 ARG 36 51.497 46.938 47.057 281 1HH2 ARG 36 2HH2 ARG 36 54.938 47.810 46.648 282 2HH2 ARG 36 1HH2 ARG 36 53.457 47.053 45.981 283 H LEU 37 H LEU 37 49.600 48.407 52.441 284 HA LEU 37 HA LEU 37 48.820 46.422 50.483 285 1HB LEU 37 2HB LEU 37 46.571 45.836 51.634 286 2HB LEU 37 1HB LEU 37 48.021 45.313 52.607 287 HG LEU 37 HG LEU 37 47.504 48.018 53.407 288 1HD1 LEU 37 3HD1 LEU 37 45.078 46.780 52.535 289 2HD1 LEU 37 2HD1 LEU 37 45.182 46.425 54.324 290 3HD1 LEU 37 1HD1 LEU 37 45.201 48.151 53.713 291 1HD2 LEU 37 2HD2 LEU 37 47.135 45.199 54.644 292 2HD2 LEU 37 1HD2 LEU 37 48.674 46.182 54.684 293 3HD2 LEU 37 3HD2 LEU 37 47.191 46.779 55.568 294 H THR 38 H THR 38 48.817 47.771 49.036 295 HA THR 38 HA THR 38 48.243 49.478 47.700 296 HB THR 38 HB THR 38 45.697 49.464 49.479 297 HG1 THR 38 1HG THR 38 45.033 47.943 48.195 298 1HG2 THR 38 2HG2 THR 38 45.839 51.509 47.713 299 2HG2 THR 38 1HG2 THR 38 46.079 50.274 46.449 300 3HG2 THR 38 3HG2 THR 38 44.523 50.314 47.351 301 H GLN 39 H GLN 39 50.075 50.137 49.307 302 HA GLN 39 HA GLN 39 49.380 52.412 50.934 303 1HB GLN 39 2HB GLN 39 51.268 50.872 51.490 304 2HB GLN 39 1HB GLN 39 51.947 51.100 49.781 305 1HG GLN 39 2HG GLN 39 52.328 53.497 50.230 306 2HG GLN 39 1HG GLN 39 51.851 53.242 51.993 307 1HE2 GLN 39 1HE2 GLN 39 54.981 51.967 52.800 308 2HE2 GLN 39 2HE2 GLN 39 53.480 52.720 53.313 309 H THR 40 H THR 40 50.207 54.300 50.858 310 HA THR 40 HA THR 40 51.354 55.812 48.735 311 HB THR 40 HB THR 40 48.285 55.852 48.903 312 HG1 THR 40 1HG THR 40 49.541 55.576 46.455 313 1HG2 THR 40 1HG2 THR 40 50.354 57.787 47.720 314 2HG2 THR 40 3HG2 THR 40 48.903 57.519 46.734 315 3HG2 THR 40 2HG2 THR 40 48.733 58.158 48.442 316 H LYS 41 H LYS 41 52.104 57.402 49.583 317 HA LYS 41 HA LYS 41 50.826 58.650 52.065 318 1HB LYS 41 2HB LYS 41 53.079 57.769 52.537 319 2HB LYS 41 1HB LYS 41 53.727 58.504 50.986 320 1HG LYS 41 2HG LYS 41 52.468 60.172 53.232 321 2HG LYS 41 1HG LYS 41 54.162 59.573 53.444 322 1HD LYS 41 2HD LYS 41 54.321 60.711 50.880 323 2HD LYS 41 1HD LYS 41 52.931 61.628 51.532 324 1HE LYS 41 2HE LYS 41 54.234 62.497 53.395 325 2HE LYS 41 1HE LYS 41 55.636 61.398 52.979 326 1HZ LYS 41 3HZ LYS 41 54.576 63.344 51.013 327 2HZ LYS 41 2HZ LYS 41 55.624 63.819 52.221 328 3HZ LYS 41 1HZ LYS 41 56.099 62.689 51.088 329 H ILE 42 H ILE 42 50.442 60.740 52.139 330 HA ILE 42 HA ILE 42 51.241 62.355 49.679 331 HB ILE 42 HB ILE 42 48.457 62.556 51.055 332 1HG1 ILE 42 2HG1 ILE 42 48.269 61.788 48.373 333 2HG1 ILE 42 1HG1 ILE 42 49.553 60.661 49.081 334 1HG2 ILE 42 2HG2 ILE 42 49.587 63.795 48.462 335 2HG2 ILE 42 1HG2 ILE 42 47.915 63.731 48.990 336 3HG2 ILE 42 3HG2 ILE 42 49.076 64.631 50.027 337 1HD1 ILE 42 1HD1 ILE 42 47.707 60.694 51.163 338 2HD1 ILE 42 3HD1 ILE 42 46.584 60.751 49.730 339 3HD1 ILE 42 2HD1 ILE 42 47.814 59.435 49.909 340 H ILE 43 H ILE 43 51.147 64.560 49.884 341 HA ILE 43 HA ILE 43 51.617 65.630 52.728 342 HB ILE 43 HB ILE 43 53.510 64.920 51.151 343 1HG1 ILE 43 2HG1 ILE 43 53.046 66.990 53.052 344 2HG1 ILE 43 1HG1 ILE 43 54.679 66.193 52.660 345 1HG2 ILE 43 2HG2 ILE 43 52.616 66.069 49.095 346 2HG2 ILE 43 1HG2 ILE 43 52.795 67.689 49.900 347 3HG2 ILE 43 3HG2 ILE 43 54.268 66.633 49.503 348 1HD1 ILE 43 3HD1 ILE 43 54.963 67.957 50.839 349 2HD1 ILE 43 2HD1 ILE 43 53.461 68.791 51.402 350 3HD1 ILE 43 1HD1 ILE 43 54.889 68.582 52.520 351 H VAL 44 H VAL 44 50.907 67.820 52.984 352 HA VAL 44 HA VAL 44 49.459 68.832 50.488 353 HB VAL 44 HB VAL 44 48.493 68.262 53.308 354 1HG1 VAL 44 3HG1 VAL 44 47.815 70.785 51.770 355 2HG1 VAL 44 2HG1 VAL 44 46.648 70.033 52.919 356 3HG1 VAL 44 1HG1 VAL 44 48.233 70.636 53.546 357 1HG2 VAL 44 2HG2 VAL 44 47.888 67.000 51.201 358 2HG2 VAL 44 1HG2 VAL 44 46.469 67.576 52.124 359 3HG2 VAL 44 3HG2 VAL 44 46.980 68.432 50.581 360 H GLN 45 H GLN 45 50.405 70.002 53.857 361 HA GLN 45 HA GLN 45 50.799 72.120 54.516 362 1HB GLN 45 2HB GLN 45 52.899 71.109 53.219 363 2HB GLN 45 1HB GLN 45 52.645 72.606 52.145 364 1HG GLN 45 2HG GLN 45 52.319 73.452 54.899 365 2HG GLN 45 1HG GLN 45 53.746 72.246 54.806 366 1HE2 GLN 45 2HE2 GLN 45 53.878 75.800 52.694 367 2HE2 GLN 45 1HE2 GLN 45 52.272 74.962 53.145 368 H ASP 46 H ASP 46 48.993 73.087 54.431 369 HA ASP 46 HA ASP 46 48.720 74.889 52.055 370 1HB ASP 46 2HB ASP 46 46.846 73.167 52.956 371 2HB ASP 46 1HB ASP 46 46.437 74.552 54.056 372 H GLY 47 H GLY 47 50.595 75.718 53.800 373 1HA GLY 47 1HA GLY 47 51.204 77.860 54.706 374 2HA GLY 47 2HA GLY 47 49.409 78.318 54.639 375 H ASP 48 H ASP 48 51.973 76.933 56.509 376 HA ASP 48 HA ASP 48 52.243 76.757 58.748 377 1HB ASP 48 2HB ASP 48 50.017 78.731 58.512 378 2HB ASP 48 1HB ASP 48 49.951 77.694 60.111 379 H ASN 49 H ASN 49 49.223 75.490 57.541 380 HA ASN 49 HA ASN 49 49.085 73.395 59.709 381 1HB ASN 49 2HB ASN 49 46.981 74.063 57.487 382 2HB ASN 49 1HB ASN 49 46.744 73.212 59.118 383 1HD2 ASN 49 1HD2 ASN 49 45.832 76.948 58.957 384 2HD2 ASN 49 2HD2 ASN 49 45.706 75.655 57.591 385 H PHE 50 H PHE 50 50.439 71.994 59.152 386 HA PHE 50 HA PHE 50 50.592 70.875 56.387 387 1HB PHE 50 2HB PHE 50 52.591 71.818 57.473 388 2HB PHE 50 1HB PHE 50 52.399 70.593 58.822 389 HD1 PHE 50 HD1 PHE 50 51.969 70.548 55.071 390 HD2 PHE 50 HD2 PHE 50 53.928 68.871 58.543 391 HE1 PHE 50 HE1 PHE 50 53.057 68.804 53.661 392 HE2 PHE 50 HE2 PHE 50 55.013 67.156 57.158 393 HZ PHE 50 HZ PHE 50 54.571 67.134 54.737 394 H LYS 51 H LYS 51 49.102 69.414 56.028 395 HA LYS 51 HA LYS 51 49.003 67.363 58.150 396 1HB LYS 51 2HB LYS 51 46.866 67.803 56.021 397 2HB LYS 51 1HB LYS 51 46.741 66.864 57.619 398 1HG LYS 51 2HG LYS 51 46.238 68.923 58.706 399 2HG LYS 51 1HG LYS 51 47.411 69.890 57.673 400 1HD LYS 51 2HD LYS 51 45.730 69.353 55.780 401 2HD LYS 51 1HD LYS 51 44.584 68.778 57.075 402 1HE LYS 51 2HE LYS 51 44.198 70.903 57.794 403 2HE LYS 51 1HE LYS 51 45.895 71.508 57.318 404 1HZ LYS 51 3HZ LYS 51 44.012 70.696 55.220 405 2HZ LYS 51 2HZ LYS 51 43.730 72.198 55.939 406 3HZ LYS 51 1HZ LYS 51 45.172 71.848 55.164 407 H THR 52 H THR 52 50.991 66.569 56.968 408 HA THR 52 HA THR 52 50.621 65.352 54.381 409 HB THR 52 HB THR 52 52.639 65.311 56.565 410 HG1 THR 52 1HG THR 52 53.798 65.336 54.906 411 1HG2 THR 52 1HG2 THR 52 52.104 62.558 55.050 412 2HG2 THR 52 3HG2 THR 52 53.534 62.918 56.099 413 3HG2 THR 52 2HG2 THR 52 51.934 62.785 56.841 414 H LYS 53 H LYS 53 49.428 63.808 53.725 415 HA LYS 53 HA LYS 53 48.382 61.938 55.939 416 1HB LYS 53 2HB LYS 53 46.080 62.150 54.757 417 2HB LYS 53 1HB LYS 53 46.747 63.737 55.411 418 1HG LYS 53 2HG LYS 53 47.376 64.403 53.251 419 2HG LYS 53 1HG LYS 53 47.108 62.725 52.529 420 1HD LYS 53 2HD LYS 53 44.842 64.139 53.843 421 2HD LYS 53 1HD LYS 53 45.214 64.343 52.042 422 1HE LYS 53 2HE LYS 53 44.284 62.261 51.641 423 2HE LYS 53 1HE LYS 53 45.399 61.481 52.875 424 1HZ LYS 53 3HZ LYS 53 42.956 62.942 53.738 425 2HZ LYS 53 2HZ LYS 53 42.948 61.321 53.450 426 3HZ LYS 53 1HZ LYS 53 44.004 61.897 54.563 427 H THR 54 H THR 54 47.690 59.982 55.400 428 HA THR 54 HA THR 54 48.915 58.962 52.820 429 HB THR 54 HB THR 54 49.242 58.103 55.538 430 HG1 THR 54 1HG THR 54 50.404 56.524 53.773 431 1HG2 THR 54 2HG2 THR 54 47.229 56.554 54.904 432 2HG2 THR 54 1HG2 THR 54 48.385 55.849 53.667 433 3HG2 THR 54 3HG2 THR 54 48.686 55.650 55.434 434 H ASN 55 H ASN 55 47.947 56.938 51.988 435 HA ASN 55 HA ASN 55 44.970 56.883 52.268 436 1HB ASN 55 2HB ASN 55 46.236 58.361 50.296 437 2HB ASN 55 1HB ASN 55 45.946 56.739 49.418 438 1HD2 ASN 55 2HD2 ASN 55 42.980 59.360 50.566 439 2HD2 ASN 55 1HD2 ASN 55 44.803 59.558 51.085 440 H SER 56 H SER 56 46.668 55.180 53.258 441 HA SER 56 HA SER 56 46.818 52.613 51.709 442 1HB SER 56 2HB SER 56 47.038 52.903 54.776 443 2HB SER 56 1HB SER 56 47.737 51.653 53.569 444 HG SER 56 HG SER 56 49.370 52.844 53.451 445 H THR 57 H THR 57 45.722 50.847 52.128 446 HA THR 57 HA THR 57 42.847 51.456 52.665 447 HB THR 57 HB THR 57 42.460 49.053 51.951 448 HG1 THR 57 1HG THR 57 44.171 47.979 51.019 449 1HG2 THR 57 3HG2 THR 57 42.454 51.200 50.415 450 2HG2 THR 57 2HG2 THR 57 44.144 50.772 49.949 451 3HG2 THR 57 1HG2 THR 57 42.845 49.631 49.518 452 H PHE 58 H PHE 58 45.431 50.767 54.410 453 HA PHE 58 HA PHE 58 43.762 49.220 56.420 454 1HB PHE 58 2HB PHE 58 45.656 48.254 57.516 455 2HB PHE 58 1HB PHE 58 45.614 47.872 55.760 456 HD1 PHE 58 HD2 PHE 58 47.081 49.778 54.271 457 HD2 PHE 58 HD1 PHE 58 47.743 48.708 58.385 458 HE1 PHE 58 HE2 PHE 58 49.382 50.557 54.113 459 HE2 PHE 58 HE1 PHE 58 50.113 49.523 58.186 460 HZ PHE 58 HZ PHE 58 50.907 50.430 56.064 461 H ARG 59 H ARG 59 46.284 51.743 56.120 462 HA ARG 59 HA ARG 59 45.218 52.839 58.770 463 1HB ARG 59 2HB ARG 59 48.107 52.059 58.072 464 2HB ARG 59 1HB ARG 59 47.758 53.424 59.247 465 1HG ARG 59 2HG ARG 59 46.001 51.268 60.007 466 2HG ARG 59 1HG ARG 59 47.713 50.612 59.780 467 1HD ARG 59 2HD ARG 59 48.545 52.057 61.500 468 2HD ARG 59 1HD ARG 59 47.163 53.200 61.266 469 HE ARG 59 HE ARG 59 45.659 51.292 61.946 470 1HH1 ARG 59 1HH2 ARG 59 48.969 51.963 63.370 471 2HH1 ARG 59 2HH2 ARG 59 48.553 51.318 64.903 472 1HH2 ARG 59 2HH1 ARG 59 45.256 50.391 64.205 473 2HH2 ARG 59 1HH1 ARG 59 46.516 50.430 65.401 474 H ASN 60 H ASN 60 44.832 54.713 58.773 475 HA ASN 60 HA ASN 60 46.164 56.570 56.736 476 1HB ASN 60 2HB ASN 60 43.479 56.049 57.126 477 2HB ASN 60 1HB ASN 60 43.743 57.541 58.241 478 1HD2 ASN 60 2HD2 ASN 60 43.786 57.828 54.150 479 2HD2 ASN 60 1HD2 ASN 60 43.666 56.262 54.988 480 H TYR 61 H TYR 61 45.331 58.920 57.916 481 HA TYR 61 HA TYR 61 45.963 60.425 59.506 482 1HB TYR 61 2HB TYR 61 44.694 58.411 60.702 483 2HB TYR 61 1HB TYR 61 46.287 58.129 61.548 484 HD1 TYR 61 HD1 TYR 61 47.416 60.534 62.180 485 HD2 TYR 61 HD2 TYR 61 43.162 59.714 62.018 486 HE1 TYR 61 HE1 TYR 61 46.980 62.425 63.729 487 HE2 TYR 61 HE2 TYR 61 42.773 61.568 63.537 488 HH TYR 61 HH TYR 61 44.616 62.748 65.463 489 H ASP 62 H ASP 62 47.905 60.748 58.370 490 HA ASP 62 HA ASP 62 50.375 59.287 59.362 491 1HB ASP 62 2HB ASP 62 49.500 59.956 56.851 492 2HB ASP 62 1HB ASP 62 50.689 61.338 57.343 493 H LEU 63 H LEU 63 49.653 62.615 58.417 494 HA LEU 63 HA LEU 63 51.104 63.576 60.885 495 1HB LEU 63 2HB LEU 63 52.429 63.477 58.548 496 2HB LEU 63 1HB LEU 63 51.516 64.997 58.191 497 HG LEU 63 HG LEU 63 52.346 65.612 60.721 498 1HD1 LEU 63 3HD1 LEU 63 53.218 62.901 60.407 499 2HD1 LEU 63 2HD1 LEU 63 54.678 63.939 60.366 500 3HD1 LEU 63 1HD1 LEU 63 53.510 64.016 61.794 501 1HD2 LEU 63 2HD2 LEU 63 53.795 65.723 58.088 502 2HD2 LEU 63 1HD2 LEU 63 53.574 67.016 59.325 503 3HD2 LEU 63 3HD2 LEU 63 54.855 65.712 59.565 504 H ASP 64 H ASP 64 48.092 63.877 60.579 505 HA ASP 64 HA ASP 64 47.634 66.544 59.559 506 1HB ASP 64 2HB ASP 64 46.241 64.961 61.832 507 2HB ASP 64 1HB ASP 64 45.497 66.257 60.683 508 H PHE 65 H PHE 65 49.107 67.997 60.183 509 HA PHE 65 HA PHE 65 49.068 68.707 63.083 510 1HB PHE 65 2HB PHE 65 51.328 67.803 61.281 511 2HB PHE 65 1HB PHE 65 51.646 69.320 62.230 512 HD1 PHE 65 HD2 PHE 65 50.914 65.721 62.154 513 HD2 PHE 65 HD1 PHE 65 51.823 69.147 64.691 514 HE1 PHE 65 HE2 PHE 65 51.399 64.232 64.005 515 HE2 PHE 65 HE1 PHE 65 52.315 67.604 66.573 516 HZ PHE 65 HZ PHE 65 52.095 65.174 66.197 517 H THR 66 H THR 66 50.492 70.652 63.184 518 HA THR 66 HA THR 66 50.348 72.686 61.063 519 HB THR 66 HB THR 66 48.691 72.665 63.636 520 HG1 THR 66 1HG THR 66 47.561 72.318 61.957 521 1HG2 THR 66 1HG2 THR 66 50.398 74.978 62.662 522 2HG2 THR 66 3HG2 THR 66 48.716 75.237 62.101 523 3HG2 THR 66 2HG2 THR 66 49.009 75.100 63.853 524 H VAL 67 H VAL 67 52.138 73.544 61.009 525 HA VAL 67 HA VAL 67 54.204 72.868 62.926 526 HB VAL 67 HB VAL 67 54.132 75.380 61.127 527 1HG1 VAL 67 3HG1 VAL 67 56.205 73.630 62.465 528 2HG1 VAL 67 2HG1 VAL 67 56.663 74.465 60.876 529 3HG1 VAL 67 1HG1 VAL 67 56.144 75.478 62.256 530 1HG2 VAL 67 3HG2 VAL 67 53.959 72.521 60.573 531 2HG2 VAL 67 2HG2 VAL 67 53.892 73.859 59.324 532 3HG2 VAL 67 1HG2 VAL 67 55.491 73.137 59.894 533 H GLY 68 H GLY 68 55.262 73.726 64.369 534 1HA GLY 68 1HA GLY 68 55.719 74.957 66.210 535 2HA GLY 68 2HA GLY 68 54.998 76.440 65.340 536 H VAL 69 H VAL 69 52.839 73.699 65.955 537 HA VAL 69 HA VAL 69 51.333 75.475 67.728 538 HB VAL 69 HB VAL 69 51.297 72.593 66.733 539 1HG1 VAL 69 1HG1 VAL 69 49.283 73.808 68.739 540 2HG1 VAL 69 3HG1 VAL 69 48.905 72.403 67.627 541 3HG1 VAL 69 2HG1 VAL 69 50.197 72.273 68.891 542 1HG2 VAL 69 2HG2 VAL 69 50.646 74.653 65.287 543 2HG2 VAL 69 1HG2 VAL 69 49.477 73.311 65.295 544 3HG2 VAL 69 3HG2 VAL 69 49.078 74.739 66.299 545 H GLU 70 H GLU 70 53.646 72.849 67.774 546 HA GLU 70 HA GLU 70 54.622 71.740 69.627 547 1HB GLU 70 2HB GLU 70 54.995 74.088 70.537 548 2HB GLU 70 1HB GLU 70 53.409 73.865 71.466 549 1HG GLU 70 2HG GLU 70 54.453 72.937 73.061 550 2HG GLU 70 1HG GLU 70 55.083 71.588 71.902 551 H PHE 71 H PHE 71 53.394 70.208 69.012 552 HA PHE 71 HA PHE 71 50.722 69.710 70.068 553 1HB PHE 71 2HB PHE 71 52.616 67.903 68.694 554 2HB PHE 71 1HB PHE 71 51.631 67.099 69.962 555 HD1 PHE 71 HD1 PHE 71 50.803 70.123 67.989 556 HD2 PHE 71 HD2 PHE 71 50.025 65.963 68.547 557 HE1 PHE 71 HE1 PHE 71 48.945 70.270 66.455 558 HE2 PHE 71 HE2 PHE 71 48.079 66.083 66.957 559 HZ PHE 71 HZ PHE 71 47.520 68.295 65.877 560 H ASP 72 H ASP 72 50.413 70.073 72.073 561 HA ASP 72 HA ASP 72 52.077 69.058 74.265 562 1HB ASP 72 2HB ASP 72 49.115 70.055 74.128 563 2HB ASP 72 1HB ASP 72 50.054 69.692 75.684 564 H GLU 73 H GLU 73 52.260 66.874 73.364 565 HA GLU 73 HA GLU 73 51.659 64.521 73.572 566 1HB GLU 73 2HB GLU 73 49.885 65.505 75.784 567 2HB GLU 73 1HB GLU 73 51.041 64.097 75.759 568 1HG GLU 73 2HG GLU 73 52.953 65.695 75.633 569 2HG GLU 73 1HG GLU 73 51.777 67.102 76.035 570 H HIS 74 H HIS 74 49.514 63.435 74.624 571 HA HIS 74 HA HIS 74 47.427 62.588 74.165 572 1HB HIS 74 2HB HIS 74 47.063 65.472 73.204 573 2HB HIS 74 1HB HIS 74 45.855 64.157 72.777 574 HD1 HIS 74 HD1 HIS 74 47.957 65.156 75.843 575 HD2 HIS 74 HD2 HIS 74 44.112 63.871 74.738 576 HE1 HIS 74 HE1 HIS 74 46.522 64.992 78.048 577 HE2 HIS 74 HE2 HIS 74 44.233 64.233 77.390 578 H THR 75 H THR 75 48.298 61.022 73.187 579 HA THR 75 HA THR 75 47.955 60.944 70.246 580 HB THR 75 HB THR 75 49.830 59.845 69.841 581 HG1 THR 75 1HG THR 75 49.935 58.083 70.805 582 1HG2 THR 75 1HG2 THR 75 50.337 61.951 71.620 583 2HG2 THR 75 3HG2 THR 75 50.691 60.655 72.805 584 3HG2 THR 75 2HG2 THR 75 51.715 60.799 71.296 585 H LYS 76 H LYS 76 46.593 59.621 69.560 586 HA LYS 76 HA LYS 76 46.133 57.006 71.042 587 1HB LYS 76 2HB LYS 76 43.854 58.994 70.223 588 2HB LYS 76 1HB LYS 76 43.708 57.252 70.742 589 1HG LYS 76 2HG LYS 76 45.355 58.718 72.721 590 2HG LYS 76 1HG LYS 76 43.809 59.601 72.412 591 1HD LYS 76 2HD LYS 76 42.958 58.229 73.952 592 2HD LYS 76 1HD LYS 76 42.921 57.047 72.537 593 1HE LYS 76 2HE LYS 76 45.244 56.237 73.215 594 2HE LYS 76 1HE LYS 76 45.058 57.230 74.723 595 1HZ LYS 76 1HZ LYS 76 42.837 55.545 74.202 596 2HZ LYS 76 3HZ LYS 76 44.229 54.651 74.403 597 3HZ LYS 76 2HZ LYS 76 43.684 55.724 75.597 598 H GLY 77 H GLY 77 44.678 55.606 70.044 599 1HA GLY 77 1HA GLY 77 44.035 54.320 68.208 600 2HA GLY 77 2HA GLY 77 44.261 55.742 67.120 601 H LEU 78 H LEU 78 46.500 54.526 69.453 602 HA LEU 78 HA LEU 78 48.166 53.050 67.533 603 1HB LEU 78 2HB LEU 78 48.396 55.610 67.078 604 2HB LEU 78 1HB LEU 78 49.228 55.704 68.698 605 HG LEU 78 HG LEU 78 50.646 53.658 67.577 606 1HD1 LEU 78 3HD1 LEU 78 49.491 55.239 65.250 607 2HD1 LEU 78 2HD1 LEU 78 51.095 54.474 65.105 608 3HD1 LEU 78 1HD1 LEU 78 49.569 53.462 65.448 609 1HD2 LEU 78 2HD2 LEU 78 51.122 56.455 68.151 610 2HD2 LEU 78 1HD2 LEU 78 52.314 55.158 67.787 611 3HD2 LEU 78 3HD2 LEU 78 51.658 56.216 66.451 612 H ASP 79 H ASP 79 48.110 54.880 70.673 613 HA ASP 79 HA ASP 79 49.418 52.482 71.822 614 1HB ASP 79 2HB ASP 79 51.396 53.677 71.190 615 2HB ASP 79 1HB ASP 79 50.633 55.304 71.793 616 H GLY 80 H GLY 80 48.879 55.971 72.491 617 1HA GLY 80 1HA GLY 80 47.364 56.907 74.009 618 2HA GLY 80 2HA GLY 80 47.100 55.300 74.836 619 H ARG 81 H ARG 81 49.221 58.011 74.127 620 HA ARG 81 HA ARG 81 50.205 57.824 76.919 621 1HB ARG 81 2HB ARG 81 52.654 58.035 76.184 622 2HB ARG 81 1HB ARG 81 51.918 56.671 75.199 623 1HG ARG 81 2HG ARG 81 51.155 58.833 73.668 624 2HG ARG 81 1HG ARG 81 52.605 59.492 74.421 625 1HD ARG 81 2HD ARG 81 53.788 57.247 73.630 626 2HD ARG 81 1HD ARG 81 52.286 56.880 72.684 627 HE ARG 81 HE ARG 81 53.564 59.510 72.258 628 1HH1 ARG 81 1HH2 ARG 81 52.898 56.158 71.031 629 2HH1 ARG 81 2HH2 ARG 81 53.324 56.586 69.385 630 1HH2 ARG 81 1HH1 ARG 81 54.103 60.021 70.109 631 2HH2 ARG 81 2HH1 ARG 81 54.036 58.836 68.833 632 H ASN 82 H ASN 82 52.311 59.943 76.495 633 HA ASN 82 HA ASN 82 50.838 62.213 75.500 634 1HB ASN 82 2HB ASN 82 50.137 61.289 78.130 635 2HB ASN 82 1HB ASN 82 51.365 62.641 78.487 636 1HD2 ASN 82 1HD2 ASN 82 47.935 63.278 76.209 637 2HD2 ASN 82 2HD2 ASN 82 48.862 61.799 76.162 638 H VAL 83 H VAL 83 52.336 63.002 74.463 639 HA VAL 83 HA VAL 83 54.974 63.637 75.843 640 HB VAL 83 HB VAL 83 54.673 62.561 73.043 641 1HG1 VAL 83 1HG1 VAL 83 57.077 62.844 74.894 642 2HG1 VAL 83 3HG1 VAL 83 57.073 61.650 73.509 643 3HG1 VAL 83 2HG1 VAL 83 56.877 63.465 73.239 644 1HG2 VAL 83 2HG2 VAL 83 54.596 61.019 75.668 645 2HG2 VAL 83 1HG2 VAL 83 54.172 60.524 73.961 646 3HG2 VAL 83 3HG2 VAL 83 55.922 60.494 74.553 647 H LYS 84 H LYS 84 55.862 65.527 75.410 648 HA LYS 84 HA LYS 84 54.616 67.508 73.787 649 1HB LYS 84 2HB LYS 84 57.220 67.287 75.142 650 2HB LYS 84 1HB LYS 84 57.500 67.774 73.428 651 1HG LYS 84 2HG LYS 84 57.170 69.830 74.667 652 2HG LYS 84 1HG LYS 84 55.700 69.502 73.628 653 1HD LYS 84 2HD LYS 84 55.475 70.316 76.126 654 2HD LYS 84 1HD LYS 84 54.379 68.972 75.583 655 1HE LYS 84 2HE LYS 84 55.877 67.279 76.766 656 2HE LYS 84 1HE LYS 84 57.198 68.527 76.863 657 1HZ LYS 84 1HZ LYS 84 54.670 69.335 78.147 658 2HZ LYS 84 3HZ LYS 84 55.381 68.005 78.797 659 3HZ LYS 84 2HZ LYS 84 56.235 69.462 78.675 660 H THR 85 H THR 85 54.810 68.142 71.674 661 HA THR 85 HA THR 85 56.479 66.446 69.843 662 HB THR 85 HB THR 85 53.443 66.375 70.148 663 HG1 THR 85 1HG THR 85 54.416 64.105 69.970 664 1HG2 THR 85 2HG2 THR 85 55.398 65.010 68.058 665 2HG2 THR 85 1HG2 THR 85 53.659 64.704 68.195 666 3HG2 THR 85 3HG2 THR 85 54.190 66.334 67.540 667 H LEU 86 H LEU 86 57.281 68.542 70.139 668 HA LEU 86 HA LEU 86 56.148 70.803 68.770 669 1HB LEU 86 2HB LEU 86 58.099 70.993 70.387 670 2HB LEU 86 1HB LEU 86 59.119 70.065 69.208 671 HG LEU 86 HG LEU 86 57.710 72.389 67.959 672 1HD1 LEU 86 3HD1 LEU 86 59.743 72.563 70.263 673 2HD1 LEU 86 2HD1 LEU 86 59.475 73.971 69.172 674 3HD1 LEU 86 1HD1 LEU 86 58.116 73.375 70.245 675 1HD2 LEU 86 2HD2 LEU 86 60.693 71.474 68.342 676 2HD2 LEU 86 1HD2 LEU 86 59.669 71.128 66.893 677 3HD2 LEU 86 3HD2 LEU 86 60.193 72.809 67.215 678 H VAL 87 H VAL 87 56.298 71.580 66.820 679 HA VAL 87 HA VAL 87 57.593 70.019 64.641 680 HB VAL 87 HB VAL 87 54.809 71.415 64.548 681 1HG1 VAL 87 1HG1 VAL 87 56.339 70.614 62.512 682 2HG1 VAL 87 3HG1 VAL 87 55.588 68.981 62.878 683 3HG1 VAL 87 2HG1 VAL 87 54.581 70.475 62.517 684 1HG2 VAL 87 1HG2 VAL 87 55.607 68.675 65.672 685 2HG2 VAL 87 3HG2 VAL 87 54.334 69.818 66.249 686 3HG2 VAL 87 2HG2 VAL 87 54.044 68.794 64.776 687 H THR 88 H THR 88 58.583 71.171 63.194 688 HA THR 88 HA THR 88 58.090 74.067 62.890 689 HB THR 88 HB THR 88 59.404 73.861 64.990 690 HG1 THR 88 1HG THR 88 60.395 75.089 62.751 691 1HG2 THR 88 1HG2 THR 88 60.872 71.803 64.115 692 2HG2 THR 88 3HG2 THR 88 61.690 73.029 63.019 693 3HG2 THR 88 2HG2 THR 88 61.866 73.030 64.864 694 H TRP 89 H TRP 89 59.277 74.925 61.208 695 HA TRP 89 HA TRP 89 60.018 72.986 59.027 696 1HB TRP 89 2HB TRP 89 59.448 76.036 59.291 697 2HB TRP 89 1HB TRP 89 60.166 75.370 57.784 698 HD1 TRP 89 HD1 TRP 89 56.800 75.943 59.162 699 HE1 TRP 89 HE1 TRP 89 55.282 74.256 58.020 700 HE3 TRP 89 HE3 TRP 89 60.333 72.935 57.109 701 HZ2 TRP 89 HZ2 TRP 89 55.582 71.759 56.386 702 HZ3 TRP 89 HZ3 TRP 89 59.738 70.969 55.837 703 HH2 TRP 89 HH2 TRP 89 57.455 70.460 55.571 704 H GLU 90 H GLU 90 62.198 72.897 58.103 705 HA GLU 90 HA GLU 90 64.031 74.205 60.029 706 1HB GLU 90 2HB GLU 90 64.106 71.815 59.657 707 2HB GLU 90 1HB GLU 90 64.377 72.089 57.868 708 1HG GLU 90 2HG GLU 90 66.607 71.608 58.953 709 2HG GLU 90 1HG GLU 90 66.485 73.475 58.751 710 H GLY 91 H GLY 91 62.498 74.603 57.239 711 1HA GLY 91 1HA GLY 91 62.604 76.761 56.060 712 2HA GLY 91 2HA GLY 91 64.433 76.553 55.997 713 H ASN 92 H ASN 92 63.790 73.707 55.952 714 HA ASN 92 HA ASN 92 62.519 73.129 53.328 715 1HB ASN 92 2HB ASN 92 64.711 71.989 52.459 716 2HB ASN 92 1HB ASN 92 64.624 73.856 52.409 717 1HD2 ASN 92 2HD2 ASN 92 66.980 71.842 55.121 718 2HD2 ASN 92 1HD2 ASN 92 65.600 71.054 54.344 719 H THR 93 H THR 93 61.895 72.339 55.779 720 HA THR 93 HA THR 93 61.286 69.626 55.641 721 HB THR 93 HB THR 93 63.624 68.876 55.590 722 HG1 THR 93 1HG THR 93 62.057 67.702 56.363 723 1HG2 THR 93 1HG2 THR 93 63.573 70.281 58.442 724 2HG2 THR 93 3HG2 THR 93 64.570 68.793 58.163 725 3HG2 THR 93 2HG2 THR 93 64.934 70.301 57.239 726 H LEU 94 H LEU 94 60.289 68.697 57.036 727 HA LEU 94 HA LEU 94 59.335 70.302 59.319 728 1HB LEU 94 2HB LEU 94 57.672 69.351 57.721 729 2HB LEU 94 1HB LEU 94 58.166 67.698 58.269 730 HG LEU 94 HG LEU 94 57.832 68.865 60.674 731 1HD1 LEU 94 1HD1 LEU 94 55.703 70.099 58.735 732 2HD1 LEU 94 3HD1 LEU 94 55.338 69.818 60.493 733 3HD1 LEU 94 2HD1 LEU 94 56.641 70.985 59.985 734 1HD2 LEU 94 1HD2 LEU 94 56.106 67.188 58.896 735 2HD2 LEU 94 3HD2 LEU 94 56.744 66.804 60.517 736 3HD2 LEU 94 2HD2 LEU 94 55.320 67.907 60.399 737 H VAL 95 H VAL 95 60.940 70.313 60.558 738 HA VAL 95 HA VAL 95 61.999 67.896 61.749 739 HB VAL 95 HB VAL 95 61.842 70.908 62.513 740 1HG1 VAL 95 3HG1 VAL 95 63.521 68.660 63.643 741 2HG1 VAL 95 2HG1 VAL 95 63.979 70.430 63.961 742 3HG1 VAL 95 1HG1 VAL 95 62.442 69.725 64.600 743 1HG2 VAL 95 2HG2 VAL 95 63.021 70.234 60.346 744 2HG2 VAL 95 1HG2 VAL 95 64.036 71.216 61.552 745 3HG2 VAL 95 3HG2 VAL 95 64.308 69.414 61.294 746 H CYS 96 H CYS 96 61.091 66.856 63.593 747 HA CYS 96 HA CYS 96 59.554 68.589 65.384 748 1HB CYS 96 2HB CYS 96 58.204 65.843 65.080 749 2HB CYS 96 1HB CYS 96 57.383 67.399 65.137 750 HG CYS 96 HG CYS 96 57.824 68.239 62.797 751 H VAL 97 H VAL 97 59.546 67.981 67.383 752 HA VAL 97 HA VAL 97 61.524 65.843 68.093 753 HB VAL 97 HB VAL 97 61.050 68.334 69.752 754 1HG1 VAL 97 1HG1 VAL 97 62.904 66.147 69.804 755 2HG1 VAL 97 3HG1 VAL 97 63.881 67.545 69.212 756 3HG1 VAL 97 2HG1 VAL 97 63.045 67.645 70.813 757 1HG2 VAL 97 2HG2 VAL 97 62.547 68.088 67.099 758 2HG2 VAL 97 1HG2 VAL 97 61.216 69.257 67.504 759 3HG2 VAL 97 3HG2 VAL 97 62.785 69.496 68.319 760 H GLN 98 H GLN 98 60.073 64.279 68.658 761 HA GLN 98 HA GLN 98 58.020 64.605 70.750 762 1HB GLN 98 2HB GLN 98 59.718 62.302 69.734 763 2HB GLN 98 1HB GLN 98 58.426 62.005 71.008 764 1HG GLN 98 2HG GLN 98 57.575 63.479 68.437 765 2HG GLN 98 1HG GLN 98 57.752 61.672 68.380 766 1HE2 GLN 98 1HE2 GLN 98 54.446 61.725 69.202 767 2HE2 GLN 98 2HE2 GLN 98 55.716 61.586 67.937 768 H LYS 99 H LYS 99 58.786 65.789 72.405 769 HA LYS 99 HA LYS 99 61.247 65.802 73.565 770 1HB LYS 99 2HB LYS 99 58.924 66.782 74.333 771 2HB LYS 99 1HB LYS 99 58.949 65.394 75.515 772 1HG LYS 99 2HG LYS 99 61.339 67.241 75.113 773 2HG LYS 99 1HG LYS 99 60.057 67.861 76.203 774 1HD LYS 99 2HD LYS 99 60.592 66.288 77.895 775 2HD LYS 99 1HD LYS 99 61.082 65.039 76.666 776 1HE LYS 99 2HE LYS 99 62.645 67.646 77.253 777 2HE LYS 99 1HE LYS 99 62.987 66.067 78.098 778 1HZ LYS 99 2HZ LYS 99 62.872 66.047 75.168 779 2HZ LYS 99 1HZ LYS 99 64.255 66.700 75.841 780 3HZ LYS 99 3HZ LYS 99 63.780 65.156 76.230 781 H GLY 100 H GLY 100 58.719 63.580 74.250 782 1HA GLY 100 1HA GLY 100 58.818 61.243 74.701 783 2HA GLY 100 2HA GLY 100 60.625 61.385 74.960 784 H GLU 101 H GLU 101 58.159 60.270 76.275 785 HA GLU 101 HA GLU 101 58.464 61.367 79.069 786 1HB GLU 101 2HB GLU 101 56.088 61.112 78.814 787 2HB GLU 101 1HB GLU 101 56.352 60.100 77.346 788 1HG GLU 101 2HG GLU 101 56.862 58.118 78.879 789 2HG GLU 101 1HG GLU 101 56.585 59.244 80.323 790 H LYS 102 H LYS 102 58.477 58.518 77.067 791 HA LYS 102 HA LYS 102 60.510 57.087 78.747 792 1HB LYS 102 2HB LYS 102 59.132 55.001 78.458 793 2HB LYS 102 1HB LYS 102 58.421 56.148 79.661 794 1HG LYS 102 2HG LYS 102 56.471 56.245 78.384 795 2HG LYS 102 1HG LYS 102 57.398 56.883 76.998 796 1HD LYS 102 2HD LYS 102 56.365 54.939 76.219 797 2HD LYS 102 1HD LYS 102 58.127 54.528 76.375 798 1HE LYS 102 2HE LYS 102 56.516 52.725 77.216 799 2HE LYS 102 1HE LYS 102 57.866 53.295 78.324 800 1HZ LYS 102 2HZ LYS 102 55.215 54.570 78.329 801 2HZ LYS 102 1HZ LYS 102 55.344 53.119 79.117 802 3HZ LYS 102 3HZ LYS 102 56.277 54.437 79.616 803 H GLU 103 H GLU 103 60.022 58.315 75.976 804 HA GLU 103 HA GLU 103 61.709 56.405 74.523 805 1HB GLU 103 2HB GLU 103 59.702 56.899 72.531 806 2HB GLU 103 1HB GLU 103 59.965 55.348 73.454 807 1HG GLU 103 2HG GLU 103 57.619 55.886 73.547 808 2HG GLU 103 1HG GLU 103 58.348 56.192 75.224 809 H ASN 104 H ASN 104 61.658 56.978 72.163 810 HA ASN 104 HA ASN 104 62.192 59.913 71.855 811 1HB ASN 104 2HB ASN 104 63.738 57.378 70.888 812 2HB ASN 104 1HB ASN 104 64.304 59.067 70.525 813 1HD2 ASN 104 1HD2 ASN 104 66.003 59.424 73.476 814 2HD2 ASN 104 2HD2 ASN 104 65.525 60.004 71.753 815 H ARG 105 H ARG 105 60.046 60.094 70.859 816 HA ARG 105 HA ARG 105 59.568 58.217 68.609 817 1HB ARG 105 2HB ARG 105 57.603 60.275 69.861 818 2HB ARG 105 1HB ARG 105 57.283 59.161 68.462 819 1HG ARG 105 2HG ARG 105 58.466 58.016 70.972 820 2HG ARG 105 1HG ARG 105 56.655 58.327 70.880 821 1HD ARG 105 2HD ARG 105 56.795 57.148 68.530 822 2HD ARG 105 1HD ARG 105 58.310 56.411 69.183 823 HE ARG 105 HE ARG 105 55.557 56.037 70.114 824 1HH1 ARG 105 2HH1 ARG 105 59.089 55.531 70.697 825 2HH1 ARG 105 1HH1 ARG 105 58.854 54.231 71.845 826 1HH2 ARG 105 2HH2 ARG 105 55.377 54.164 71.758 827 2HH2 ARG 105 1HH2 ARG 105 56.789 53.462 72.437 828 H GLY 106 H GLY 106 61.232 60.738 69.086 829 1HA GLY 106 1HA GLY 106 60.848 62.944 67.412 830 2HA GLY 106 2HA GLY 106 62.377 61.990 67.467 831 H TRP 107 H TRP 107 59.510 62.687 65.740 832 HA TRP 107 HA TRP 107 60.508 61.154 63.437 833 1HB TRP 107 2HB TRP 107 58.456 60.344 62.914 834 2HB TRP 107 1HB TRP 107 57.863 61.021 64.502 835 HD1 TRP 107 HD1 TRP 107 58.339 61.815 60.733 836 HE1 TRP 107 HE1 TRP 107 56.915 63.855 60.034 837 HE3 TRP 107 HE3 TRP 107 56.747 63.090 65.341 838 HZ2 TRP 107 HZ2 TRP 107 55.462 65.582 61.347 839 HZ3 TRP 107 HZ3 TRP 107 55.264 65.027 65.589 840 HH2 TRP 107 HH2 TRP 107 54.640 66.245 63.562 841 H LYS 108 H LYS 108 61.078 61.974 61.742 842 HA LYS 108 HA LYS 108 60.326 64.725 60.963 843 1HB LYS 108 2HB LYS 108 63.042 64.958 60.668 844 2HB LYS 108 1HB LYS 108 62.308 65.464 62.277 845 1HG LYS 108 2HG LYS 108 62.674 63.008 63.063 846 2HG LYS 108 1HG LYS 108 63.755 62.914 61.550 847 1HD LYS 108 2HD LYS 108 65.152 63.372 63.539 848 2HD LYS 108 1HD LYS 108 65.028 64.867 62.496 849 1HE LYS 108 2HE LYS 108 64.420 65.795 64.597 850 2HE LYS 108 1HE LYS 108 62.789 65.078 64.225 851 1HZ LYS 108 3HZ LYS 108 64.902 63.539 65.628 852 2HZ LYS 108 2HZ LYS 108 63.632 64.433 66.362 853 3HZ LYS 108 1HZ LYS 108 63.279 63.163 65.377 854 H GLN 109 H GLN 109 61.022 65.546 59.229 855 HA GLN 109 HA GLN 109 61.600 63.391 57.098 856 1HB GLN 109 2HB GLN 109 60.066 66.006 57.240 857 2HB GLN 109 1HB GLN 109 60.437 65.322 55.605 858 1HG GLN 109 2HG GLN 109 58.452 64.004 55.994 859 2HG GLN 109 1HG GLN 109 59.366 63.276 57.469 860 1HE2 GLN 109 1HE2 GLN 109 57.951 65.464 59.816 861 2HE2 GLN 109 2HE2 GLN 109 59.239 64.230 59.282 862 H TRP 110 H TRP 110 62.375 64.566 54.985 863 HA TRP 110 HA TRP 110 63.763 66.965 55.037 864 1HB TRP 110 2HB TRP 110 66.135 66.036 55.314 865 2HB TRP 110 1HB TRP 110 65.165 66.498 56.775 866 HD1 TRP 110 HD1 TRP 110 65.317 63.106 54.693 867 HE1 TRP 110 HE1 TRP 110 65.707 61.250 56.489 868 HE3 TRP 110 HE3 TRP 110 65.503 66.065 58.582 869 HZ2 TRP 110 HZ2 TRP 110 66.056 61.258 59.232 870 HZ3 TRP 110 HZ3 TRP 110 65.874 65.262 60.866 871 HH2 TRP 110 HH2 TRP 110 66.155 62.801 61.169 872 H VAL 111 H VAL 111 62.790 66.740 53.031 873 HA VAL 111 HA VAL 111 62.947 65.260 50.786 874 HB VAL 111 HB VAL 111 63.902 68.181 50.942 875 1HG1 VAL 111 3HG1 VAL 111 64.248 67.132 48.760 876 2HG1 VAL 111 2HG1 VAL 111 62.485 66.753 48.606 877 3HG1 VAL 111 1HG1 VAL 111 63.101 68.476 48.645 878 1HG2 VAL 111 3HG2 VAL 111 61.300 66.749 51.328 879 2HG2 VAL 111 2HG2 VAL 111 61.895 68.370 51.953 880 3HG2 VAL 111 1HG2 VAL 111 61.172 68.306 50.307 881 H GLU 112 H GLU 112 64.373 63.800 50.448 882 HA GLU 112 HA GLU 112 67.122 64.654 49.818 883 1HB GLU 112 2HB GLU 112 65.858 62.354 51.178 884 2HB GLU 112 1HB GLU 112 67.091 61.803 49.974 885 1HG GLU 112 2HG GLU 112 67.342 63.950 52.237 886 2HG GLU 112 1HG GLU 112 68.152 62.239 52.192 887 H GLY 113 H GLY 113 68.001 62.818 48.354 888 1HA GLY 113 1HA GLY 113 67.715 63.203 45.731 889 2HA GLY 113 2HA GLY 113 68.001 61.493 46.322 890 H ASP 114 H ASP 114 65.526 63.856 45.491 891 HA ASP 114 HA ASP 114 63.340 63.650 44.714 892 1HB ASP 114 2HB ASP 114 64.907 61.507 43.094 893 2HB ASP 114 1HB ASP 114 63.218 62.124 42.584 894 H LYS 115 H LYS 115 62.855 62.890 46.786 895 HA LYS 115 HA LYS 115 60.597 61.447 47.002 896 1HB LYS 115 2HB LYS 115 61.188 59.167 47.821 897 2HB LYS 115 1HB LYS 115 61.946 59.399 46.180 898 1HG LYS 115 2HG LYS 115 64.084 60.129 47.223 899 2HG LYS 115 1HG LYS 115 63.326 59.900 48.888 900 1HD LYS 115 2HD LYS 115 62.899 57.512 48.320 901 2HD LYS 115 1HD LYS 115 63.644 57.703 46.680 902 1HE LYS 115 2HE LYS 115 65.422 58.908 48.582 903 2HE LYS 115 1HE LYS 115 64.838 57.386 49.391 904 1HZ LYS 115 1HZ LYS 115 65.554 56.817 46.727 905 2HZ LYS 115 3HZ LYS 115 66.834 57.652 47.383 906 3HZ LYS 115 2HZ LYS 115 66.322 56.272 48.097 907 H LEU 116 H LEU 116 60.095 60.861 49.237 908 HA LEU 116 HA LEU 116 61.752 62.759 50.888 909 1HB LEU 116 2HB LEU 116 58.936 62.358 50.475 910 2HB LEU 116 1HB LEU 116 59.279 61.952 52.219 911 HG LEU 116 HG LEU 116 60.506 64.462 51.045 912 1HD1 LEU 116 1HD1 LEU 116 57.609 63.894 51.253 913 2HD1 LEU 116 3HD1 LEU 116 57.975 64.838 52.685 914 3HD1 LEU 116 2HD1 LEU 116 58.445 65.508 51.027 915 1HD2 LEU 116 1HD2 LEU 116 60.125 63.118 53.669 916 2HD2 LEU 116 3HD2 LEU 116 61.411 64.266 53.104 917 3HD2 LEU 116 2HD2 LEU 116 59.827 64.909 53.737 918 H TYR 117 H TYR 117 62.230 62.422 52.974 919 HA TYR 117 HA TYR 117 62.316 59.454 53.655 920 1HB TYR 117 2HB TYR 117 64.258 61.765 53.731 921 2HB TYR 117 1HB TYR 117 64.344 60.626 55.135 922 HD1 TYR 117 HD1 TYR 117 63.539 58.058 53.224 923 HD2 TYR 117 HD2 TYR 117 66.502 61.175 52.820 924 HE1 TYR 117 HE1 TYR 117 64.851 56.608 51.808 925 HE2 TYR 117 HE2 TYR 117 67.779 59.704 51.411 926 HH TYR 117 HH TYR 117 67.175 56.358 51.065 927 H LEU 118 H LEU 118 60.679 59.050 54.752 928 HA LEU 118 HA LEU 118 60.249 60.790 57.203 929 1HB LEU 118 2HB LEU 118 58.893 58.190 56.261 930 2HB LEU 118 1HB LEU 118 58.273 59.250 57.659 931 HG LEU 118 HG LEU 118 57.914 59.734 54.674 932 1HD1 LEU 118 2HD1 LEU 118 56.220 58.690 56.342 933 2HD1 LEU 118 1HD1 LEU 118 56.308 60.313 57.140 934 3HD1 LEU 118 3HD1 LEU 118 55.693 60.178 55.445 935 1HD2 LEU 118 3HD2 LEU 118 59.254 61.693 55.707 936 2HD2 LEU 118 2HD2 LEU 118 57.583 62.048 55.069 937 3HD2 LEU 118 1HD2 LEU 118 57.937 61.959 56.891 938 H GLU 119 H GLU 119 62.310 60.504 57.889 939 HA GLU 119 HA GLU 119 63.030 57.860 59.069 940 1HB GLU 119 2HB GLU 119 64.433 60.489 58.483 941 2HB GLU 119 1HB GLU 119 65.010 59.437 59.850 942 1HG GLU 119 2HG GLU 119 65.130 57.499 58.281 943 2HG GLU 119 1HG GLU 119 64.528 58.624 56.944 944 H LEU 120 H LEU 120 61.677 57.429 60.665 945 HA LEU 120 HA LEU 120 61.675 59.560 62.816 946 1HB LEU 120 2HB LEU 120 59.677 58.974 63.636 947 2HB LEU 120 1HB LEU 120 59.425 58.817 61.845 948 HG LEU 120 HG LEU 120 60.353 56.251 62.913 949 1HD1 LEU 120 2HD1 LEU 120 58.913 57.620 64.896 950 2HD1 LEU 120 1HD1 LEU 120 57.673 56.492 64.150 951 3HD1 LEU 120 3HD1 LEU 120 59.221 55.855 64.868 952 1HD2 LEU 120 2HD2 LEU 120 57.744 57.209 61.672 953 2HD2 LEU 120 1HD2 LEU 120 59.031 56.233 60.922 954 3HD2 LEU 120 3HD2 LEU 120 58.032 55.493 62.253 955 H THR 121 H THR 121 61.536 58.741 64.975 956 HA THR 121 HA THR 121 63.172 56.249 65.472 957 HB THR 121 HB THR 121 63.251 59.136 66.605 958 HG1 THR 121 1HG THR 121 65.171 57.396 65.547 959 1HG2 THR 121 3HG2 THR 121 63.847 56.572 68.100 960 2HG2 THR 121 2HG2 THR 121 65.374 57.483 67.719 961 3HG2 THR 121 1HG2 THR 121 64.054 58.306 68.645 962 H CYS 122 H CYS 122 62.558 55.186 67.640 963 HA CYS 122 HA CYS 122 60.189 56.251 68.977 964 1HB CYS 122 2HB CYS 122 58.969 53.942 68.276 965 2HB CYS 122 1HB CYS 122 58.800 55.347 67.216 966 HG CYS 122 HG CYS 122 60.030 52.510 66.684 967 H GLY 123 H GLY 123 62.314 56.001 70.146 968 1HA GLY 123 1HA GLY 123 62.867 55.105 72.270 969 2HA GLY 123 2HA GLY 123 61.844 53.661 71.835 970 H ASP 124 H ASP 124 64.175 54.950 69.698 971 HA ASP 124 HA ASP 124 66.151 54.261 68.789 972 1HB ASP 124 2HB ASP 124 66.354 52.868 71.496 973 2HB ASP 124 1HB ASP 124 67.479 52.324 70.146 974 H GLN 125 H GLN 125 63.544 53.149 68.363 975 HA GLN 125 HA GLN 125 64.188 50.297 67.652 976 1HB GLN 125 2HB GLN 125 61.788 51.952 67.867 977 2HB GLN 125 1HB GLN 125 61.785 51.078 66.312 978 1HG GLN 125 2HG GLN 125 60.795 49.500 67.859 979 2HG GLN 125 1HG GLN 125 62.580 48.989 67.763 980 1HE2 GLN 125 1HE2 GLN 125 61.382 49.514 71.311 981 2HE2 GLN 125 2HE2 GLN 125 60.764 48.557 69.769 982 H VAL 126 H VAL 126 63.959 53.442 66.529 983 HA VAL 126 HA VAL 126 64.197 54.680 64.687 984 HB VAL 126 HB VAL 126 66.443 54.704 64.469 985 1HG1 VAL 126 2HG1 VAL 126 66.423 52.818 66.351 986 2HG1 VAL 126 1HG1 VAL 126 66.559 51.642 64.948 987 3HG1 VAL 126 3HG1 VAL 126 67.881 52.779 65.250 988 1HG2 VAL 126 2HG2 VAL 126 65.907 53.805 62.158 989 2HG2 VAL 126 1HG2 VAL 126 67.562 53.420 62.753 990 3HG2 VAL 126 3HG2 VAL 126 66.348 52.125 62.734 991 H CYS 127 H CYS 127 62.935 54.902 62.966 992 HA CYS 127 HA CYS 127 62.501 52.481 61.149 993 1HB CYS 127 2HB CYS 127 60.594 53.946 62.661 994 2HB CYS 127 1HB CYS 127 60.754 54.988 61.247 995 HG CYS 127 HG CYS 127 60.786 52.354 59.820 996 H ARG 128 H ARG 128 63.425 52.512 59.291 997 HA ARG 128 HA ARG 128 63.980 55.322 58.167 998 1HB ARG 128 2HB ARG 128 65.544 52.898 58.610 999 2HB ARG 128 1HB ARG 128 65.379 53.185 56.800 1000 1HG ARG 128 2HG ARG 128 66.235 55.389 58.673 1001 2HG ARG 128 1HG ARG 128 67.458 54.306 57.896 1002 1HD ARG 128 2HD ARG 128 65.878 54.881 55.712 1003 2HD ARG 128 1HD ARG 128 65.631 56.417 56.683 1004 HE ARG 128 HE ARG 128 67.804 57.008 56.251 1005 1HH1 ARG 128 2HH1 ARG 128 67.534 53.555 55.343 1006 2HH1 ARG 128 1HH1 ARG 128 69.137 53.549 54.594 1007 1HH2 ARG 128 1HH2 ARG 128 69.914 56.872 55.244 1008 2HH2 ARG 128 2HH2 ARG 128 70.427 55.379 54.557 1009 H GLN 129 H GLN 129 62.227 55.816 57.162 1010 HA GLN 129 HA GLN 129 61.024 53.759 55.303 1011 1HB GLN 129 2HB GLN 129 60.480 56.788 55.636 1012 2HB GLN 129 1HB GLN 129 59.500 55.653 54.631 1013 1HG GLN 129 2HG GLN 129 59.719 54.337 57.150 1014 2HG GLN 129 1HG GLN 129 59.215 56.055 57.559 1015 1HE2 GLN 129 2HE2 GLN 129 56.511 53.437 56.418 1016 2HE2 GLN 129 1HE2 GLN 129 58.006 53.146 57.283 1017 H VAL 130 H VAL 130 60.284 54.377 53.085 1018 HA VAL 130 HA VAL 130 62.466 55.743 51.593 1019 HB VAL 130 HB VAL 130 61.170 52.986 50.831 1020 1HG1 VAL 130 2HG1 VAL 130 63.513 54.700 49.697 1021 2HG1 VAL 130 1HG1 VAL 130 63.307 52.927 49.289 1022 3HG1 VAL 130 3HG1 VAL 130 62.040 54.083 48.835 1023 1HG2 VAL 130 1HG2 VAL 130 63.727 53.622 52.261 1024 2HG2 VAL 130 3HG2 VAL 130 62.502 52.254 52.551 1025 3HG2 VAL 130 2HG2 VAL 130 63.695 52.174 51.196 1026 H PHE 131 H PHE 131 61.733 56.542 49.697 1027 HA PHE 131 HA PHE 131 58.772 56.401 49.209 1028 1HB PHE 131 2HB PHE 131 60.701 58.637 49.832 1029 2HB PHE 131 1HB PHE 131 59.318 59.044 48.684 1030 HD1 PHE 131 HD2 PHE 131 60.076 57.508 52.085 1031 HD2 PHE 131 HD1 PHE 131 57.133 59.355 49.511 1032 HE1 PHE 131 HE2 PHE 131 58.460 57.624 53.868 1033 HE2 PHE 131 HE1 PHE 131 55.542 59.414 51.440 1034 HZ PHE 131 HZ PHE 131 56.185 58.570 53.585 1035 H LYS 132 H LYS 132 58.281 57.992 47.410 1036 HA LYS 132 HA LYS 132 60.109 58.134 45.118 1037 1HB LYS 132 2HB LYS 132 59.397 55.842 44.684 1038 2HB LYS 132 1HB LYS 132 57.912 56.122 45.687 1039 1HG LYS 132 2HG LYS 132 57.549 55.671 43.170 1040 2HG LYS 132 1HG LYS 132 56.876 57.320 43.578 1041 1HD LYS 132 2HD LYS 132 58.187 57.423 41.532 1042 2HD LYS 132 1HD LYS 132 59.137 58.276 42.844 1043 1HE LYS 132 2HE LYS 132 60.644 56.511 43.076 1044 2HE LYS 132 1HE LYS 132 59.560 55.315 42.199 1045 1HZ LYS 132 1HZ LYS 132 59.909 56.837 40.262 1046 2HZ LYS 132 3HZ LYS 132 61.114 57.616 41.054 1047 3HZ LYS 132 2HZ LYS 132 61.267 55.963 40.734 1048 H LYS 133 H LYS 133 59.648 60.142 44.988 1049 HA LYS 133 HA LYS 133 57.036 61.407 45.692 1050 1HB LYS 133 2HB LYS 133 59.262 62.630 45.765 1051 2HB LYS 133 1HB LYS 133 59.208 62.502 43.970 1052 1HG LYS 133 2HG LYS 133 56.806 63.533 44.081 1053 2HG LYS 133 1HG LYS 133 57.080 63.693 45.886 1054 1HD LYS 133 2HD LYS 133 57.370 65.891 44.752 1055 2HD LYS 133 1HD LYS 133 59.045 65.284 45.234 1056 1HE LYS 133 2HE LYS 133 59.727 65.211 43.175 1057 2HE LYS 133 1HE LYS 133 58.317 64.088 42.744 1058 1HZ LYS 133 3HZ LYS 133 57.041 66.351 42.753 1059 2HZ LYS 133 2HZ LYS 133 58.557 67.001 42.418 1060 3HZ LYS 133 1HZ LYS 133 57.874 65.893 41.405 1061 H LYS 134 H LYS 134 55.723 59.849 44.477 1062 HA LYS 134 HA LYS 134 54.251 59.443 42.675 1063 1HB LYS 134 2HB LYS 134 53.604 61.761 43.085 1064 2HB LYS 134 1HB LYS 134 55.081 62.382 42.242 1065 1HG LYS 134 2HG LYS 134 53.985 61.184 40.124 1066 2HG LYS 134 1HG LYS 134 52.451 61.346 41.109 1067 1HD LYS 134 2HD LYS 134 54.444 63.605 40.706 1068 2HD LYS 134 1HD LYS 134 52.933 63.368 39.660 1069 1HE LYS 134 2HE LYS 134 51.728 62.985 41.992 1070 2HE LYS 134 1HE LYS 134 53.085 64.181 42.513 1071 1HZ LYS 134 2HZ LYS 134 51.261 64.752 40.234 1072 2HZ LYS 134 1HZ LYS 134 50.886 65.100 41.840 1073 3HZ LYS 134 3HZ LYS 134 52.205 65.789 41.122 No H/Q in entry = 1073 Start of MODEL 8 1 1H MET 1 3H MET 1 58.539 79.266 48.184 2 2H MET 1 2H MET 1 57.627 79.855 46.863 3 3H MET 1 1H MET 1 57.451 78.306 47.466 4 HA MET 1 HA MET 1 59.009 77.618 45.887 5 1HB MET 1 2HB MET 1 60.461 79.453 44.782 6 2HB MET 1 1HB MET 1 58.688 79.853 44.684 7 1HG MET 1 2HG MET 1 58.716 81.518 46.283 8 2HG MET 1 1HG MET 1 60.081 80.901 47.184 9 1HE MET 1 3HE MET 1 58.976 83.562 45.931 10 2HE MET 1 2HE MET 1 60.406 84.194 46.559 11 3HE MET 1 1HE MET 1 60.080 84.430 44.764 12 H THR 2 H THR 2 59.428 77.213 48.414 13 HA THR 2 HA THR 2 62.408 77.332 48.596 14 HB THR 2 HB THR 2 60.653 78.686 50.718 15 HG1 THR 2 1HG THR 2 62.030 80.352 50.357 16 1HG2 THR 2 1HG2 THR 2 63.573 77.506 50.669 17 2HG2 THR 2 3HG2 THR 2 63.287 78.978 51.675 18 3HG2 THR 2 2HG2 THR 2 62.454 77.405 52.011 19 H LYS 3 H LYS 3 59.564 77.043 50.734 20 HA LYS 3 HA LYS 3 60.657 74.609 52.069 21 1HB LYS 3 2HB LYS 3 58.587 76.499 52.530 22 2HB LYS 3 1HB LYS 3 57.706 74.950 52.300 23 1HG LYS 3 2HG LYS 3 58.178 74.497 54.404 24 2HG LYS 3 1HG LYS 3 59.819 74.064 53.791 25 1HD LYS 3 2HD LYS 3 58.936 76.619 55.248 26 2HD LYS 3 1HD LYS 3 60.407 75.546 55.483 27 1HE LYS 3 2HE LYS 3 60.947 76.421 53.045 28 2HE LYS 3 1HE LYS 3 59.769 77.779 53.520 29 1HZ LYS 3 3HZ LYS 3 61.173 78.036 55.578 30 2HZ LYS 3 2HZ LYS 3 62.294 76.977 54.944 31 3HZ LYS 3 1HZ LYS 3 62.040 78.420 54.221 32 H ASP 4 H ASP 4 58.170 73.097 52.281 33 HA ASP 4 HA ASP 4 58.875 71.190 50.214 34 1HB ASP 4 2HB ASP 4 57.586 70.945 52.676 35 2HB ASP 4 1HB ASP 4 56.193 71.157 51.549 36 H GLN 5 H GLN 5 56.414 70.215 49.186 37 HA GLN 5 HA GLN 5 54.700 72.291 48.306 38 1HB GLN 5 2HB GLN 5 55.517 71.616 45.752 39 2HB GLN 5 1HB GLN 5 56.437 72.947 46.661 40 1HG GLN 5 2HG GLN 5 58.233 71.537 47.156 41 2HG GLN 5 1HG GLN 5 57.230 70.015 46.857 42 1HE2 GLN 5 2HE2 GLN 5 58.810 69.826 43.805 43 2HE2 GLN 5 1HE2 GLN 5 58.549 69.201 45.449 44 H ASN 6 H ASN 6 53.051 71.517 47.276 45 HA ASN 6 HA ASN 6 51.876 69.138 48.162 46 1HB ASN 6 2HB ASN 6 51.500 70.944 45.706 47 2HB ASN 6 1HB ASN 6 50.740 69.300 45.711 48 1HD2 ASN 6 1HD2 ASN 6 49.237 72.137 48.202 49 2HD2 ASN 6 2HD2 ASN 6 50.789 72.387 47.134 50 H GLY 7 H GLY 7 51.134 67.285 47.224 51 1HA GLY 7 1HA GLY 7 51.777 66.070 44.796 52 2HA GLY 7 2HA GLY 7 53.297 65.913 45.762 53 H THR 8 H THR 8 52.809 63.791 45.174 54 HA THR 8 HA THR 8 51.697 62.354 47.478 55 HB THR 8 HB THR 8 50.255 62.464 44.917 56 HG1 THR 8 1HG THR 8 48.836 61.922 46.234 57 1HG2 THR 8 3HG2 THR 8 51.469 59.701 45.911 58 2HG2 THR 8 2HG2 THR 8 50.007 59.791 44.916 59 3HG2 THR 8 1HG2 THR 8 51.623 60.396 44.245 60 H TRP 9 H TRP 9 52.430 60.509 47.755 61 HA TRP 9 HA TRP 9 54.770 59.521 46.181 62 1HB TRP 9 2HB TRP 9 55.265 59.687 49.150 63 2HB TRP 9 1HB TRP 9 56.469 59.765 47.842 64 HD1 TRP 9 HD1 TRP 9 53.475 62.211 48.626 65 HE1 TRP 9 HE1 TRP 9 54.240 64.602 48.960 66 HE3 TRP 9 HE3 TRP 9 58.170 61.201 48.087 67 HZ2 TRP 9 HZ2 TRP 9 56.698 65.772 48.957 68 HZ3 TRP 9 HZ3 TRP 9 59.823 63.028 48.268 69 HH2 TRP 9 HH2 TRP 9 59.135 65.279 48.696 70 H GLU 10 H GLU 10 54.959 57.411 45.978 71 HA GLU 10 HA GLU 10 52.874 55.832 47.299 72 1HB GLU 10 2HB GLU 10 55.085 55.280 45.195 73 2HB GLU 10 1HB GLU 10 53.891 54.023 45.774 74 1HG GLU 10 2HG GLU 10 52.613 56.640 45.226 75 2HG GLU 10 1HG GLU 10 53.607 56.018 43.774 76 H MET 11 H MET 11 55.959 56.689 48.054 77 HA MET 11 HA MET 11 57.709 55.770 49.556 78 1HB MET 11 2HB MET 11 55.671 55.949 51.138 79 2HB MET 11 1HB MET 11 55.097 54.351 50.508 80 1HG MET 11 2HG MET 11 57.500 53.433 51.364 81 2HG MET 11 1HG MET 11 57.414 54.914 52.297 82 1HE MET 11 3HE MET 11 54.606 55.580 52.834 83 2HE MET 11 2HE MET 11 53.773 54.535 53.967 84 3HE MET 11 1HE MET 11 55.388 55.236 54.433 85 H GLU 12 H GLU 12 58.637 54.928 47.885 86 HA GLU 12 HA GLU 12 58.591 52.804 46.303 87 1HB GLU 12 2HB GLU 12 60.681 54.316 46.718 88 2HB GLU 12 1HB GLU 12 61.011 53.291 48.165 89 1HG GLU 12 2HG GLU 12 61.234 51.262 46.805 90 2HG GLU 12 1HG GLU 12 60.634 52.279 45.319 91 H SER 13 H SER 13 59.075 52.632 49.802 92 HA SER 13 HA SER 13 57.951 50.047 50.175 93 1HB SER 13 2HB SER 13 59.690 48.533 49.936 94 2HB SER 13 1HB SER 13 60.523 49.866 48.928 95 HG SER 13 HG SER 13 60.987 48.839 51.348 96 H ASN 14 H ASN 14 58.507 49.040 52.049 97 HA ASN 14 HA ASN 14 59.060 50.997 54.255 98 1HB ASN 14 2HB ASN 14 57.381 49.590 55.495 99 2HB ASN 14 1HB ASN 14 56.831 49.439 53.718 100 1HD2 ASN 14 1HD2 ASN 14 58.449 46.330 55.797 101 2HD2 ASN 14 2HD2 ASN 14 58.133 48.034 56.513 102 H GLU 15 H GLU 15 59.750 50.342 56.162 103 HA GLU 15 HA GLU 15 61.922 48.294 55.766 104 1HB GLU 15 2HB GLU 15 62.469 50.927 56.008 105 2HB GLU 15 1HB GLU 15 62.153 50.704 57.731 106 1HG GLU 15 2HG GLU 15 64.346 50.055 57.796 107 2HG GLU 15 1HG GLU 15 63.617 48.396 57.195 108 H ASN 16 H ASN 16 60.478 50.257 58.472 109 HA ASN 16 HA ASN 16 60.109 47.718 60.007 110 1HB ASN 16 2HB ASN 16 62.117 49.055 60.825 111 2HB ASN 16 1HB ASN 16 60.903 50.432 61.234 112 1HD2 ASN 16 2HD2 ASN 16 60.877 48.807 64.370 113 2HD2 ASN 16 1HD2 ASN 16 61.660 50.208 63.353 114 H PHE 17 H PHE 17 58.100 47.624 59.394 115 HA PHE 17 HA PHE 17 56.247 49.840 60.379 116 1HB PHE 17 2HB PHE 17 55.251 49.219 58.410 117 2HB PHE 17 1HB PHE 17 56.204 47.683 58.301 118 HD1 PHE 17 HD1 PHE 17 53.341 49.194 60.225 119 HD2 PHE 17 HD2 PHE 17 55.047 45.639 58.575 120 HE1 PHE 17 HE1 PHE 17 51.346 47.833 60.879 121 HE2 PHE 17 HE2 PHE 17 53.081 44.321 59.226 122 HZ PHE 17 HZ PHE 17 51.191 45.404 60.389 123 H GLU 18 H GLU 18 56.801 46.364 60.665 124 HA GLU 18 HA GLU 18 54.781 46.042 62.808 125 1HB GLU 18 2HB GLU 18 55.837 44.326 60.941 126 2HB GLU 18 1HB GLU 18 57.261 44.349 62.071 127 1HG GLU 18 2HG GLU 18 55.952 43.600 63.936 128 2HG GLU 18 1HG GLU 18 54.461 43.280 62.782 129 H GLY 19 H GLY 19 58.304 46.396 62.551 130 1HA GLY 19 1HA GLY 19 58.454 45.705 65.463 131 2HA GLY 19 2HA GLY 19 59.851 46.287 64.482 132 H TYR 20 H TYR 20 57.866 48.516 63.594 133 HA TYR 20 HA TYR 20 58.727 50.492 65.523 134 1HB TYR 20 2HB TYR 20 58.059 51.077 63.217 135 2HB TYR 20 1HB TYR 20 56.460 50.214 63.382 136 HD1 TYR 20 HD2 TYR 20 58.192 52.923 65.364 137 HD2 TYR 20 HD1 TYR 20 54.708 51.462 63.304 138 HE1 TYR 20 HE2 TYR 20 57.009 54.954 66.017 139 HE2 TYR 20 HE1 TYR 20 53.436 53.509 63.925 140 HH TYR 20 HH TYR 20 54.859 55.881 66.149 141 H MET 21 H MET 21 55.910 48.446 65.148 142 HA MET 21 HA MET 21 54.254 49.735 67.230 143 1HB MET 21 2HB MET 21 54.363 46.931 65.802 144 2HB MET 21 1HB MET 21 53.041 47.488 66.820 145 1HG MET 21 2HG MET 21 52.541 49.354 65.283 146 2HG MET 21 1HG MET 21 54.067 49.185 64.407 147 1HE MET 21 2HE MET 21 50.776 48.087 65.610 148 2HE MET 21 1HE MET 21 50.275 48.718 63.985 149 3HE MET 21 3HE MET 21 50.015 47.019 64.500 150 H LYS 22 H LYS 22 56.727 47.390 66.914 151 HA LYS 22 HA LYS 22 56.332 46.247 69.583 152 1HB LYS 22 2HB LYS 22 58.588 45.778 67.463 153 2HB LYS 22 1HB LYS 22 58.455 44.932 69.067 154 1HG LYS 22 2HG LYS 22 55.883 44.648 68.369 155 2HG LYS 22 1HG LYS 22 56.667 44.655 66.702 156 1HD LYS 22 2HD LYS 22 57.728 43.068 69.098 157 2HD LYS 22 1HD LYS 22 56.696 42.285 67.785 158 1HE LYS 22 2HE LYS 22 58.573 43.643 66.235 159 2HE LYS 22 1HE LYS 22 59.542 43.455 67.734 160 1HZ LYS 22 3HZ LYS 22 58.961 41.070 67.714 161 2HZ LYS 22 2HZ LYS 22 58.210 41.246 66.286 162 3HZ LYS 22 1HZ LYS 22 59.875 41.528 66.348 163 H ALA 23 H ALA 23 58.128 48.685 68.049 164 HA ALA 23 HA ALA 23 60.235 48.927 69.944 165 1HB ALA 23 1HB ALA 23 58.989 50.870 67.943 166 2HB ALA 23 3HB ALA 23 60.233 51.437 69.144 167 3HB ALA 23 2HB ALA 23 60.610 50.101 67.920 168 H LEU 24 H LEU 24 57.090 50.374 69.806 169 HA LEU 24 HA LEU 24 57.528 51.745 72.431 170 1HB LEU 24 2HB LEU 24 55.044 52.418 72.203 171 2HB LEU 24 1HB LEU 24 55.930 52.785 70.655 172 HG LEU 24 HG LEU 24 55.095 50.327 69.982 173 1HD1 LEU 24 1HD1 LEU 24 53.762 50.887 72.559 174 2HD1 LEU 24 3HD1 LEU 24 52.545 50.877 71.225 175 3HD1 LEU 24 2HD1 LEU 24 53.635 49.435 71.502 176 1HD2 LEU 24 2HD2 LEU 24 54.532 52.954 69.258 177 2HD2 LEU 24 1HD2 LEU 24 53.876 51.514 68.461 178 3HD2 LEU 24 3HD2 LEU 24 52.907 52.318 69.723 179 H ASP 25 H ASP 25 56.388 48.947 70.938 180 HA ASP 25 HA ASP 25 56.103 46.723 71.673 181 1HB ASP 25 2HB ASP 25 57.139 48.010 73.971 182 2HB ASP 25 1HB ASP 25 55.560 47.233 74.530 183 H ILE 26 H ILE 26 54.401 46.697 70.571 184 HA ILE 26 HA ILE 26 51.887 46.667 72.193 185 HB ILE 26 HB ILE 26 52.203 48.691 70.464 186 1HG1 ILE 26 2HG1 ILE 26 49.759 46.923 70.821 187 2HG1 ILE 26 1HG1 ILE 26 50.149 48.591 71.383 188 1HG2 ILE 26 1HG2 ILE 26 52.815 46.790 68.652 189 2HG2 ILE 26 3HG2 ILE 26 51.025 46.613 68.532 190 3HG2 ILE 26 2HG2 ILE 26 51.778 48.205 68.157 191 1HD1 ILE 26 1HD1 ILE 26 50.235 49.254 68.755 192 2HD1 ILE 26 3HD1 ILE 26 49.398 47.703 68.538 193 3HD1 ILE 26 2HD1 ILE 26 48.589 48.989 69.519 194 H ASP 27 H ASP 27 54.087 44.890 71.227 195 HA ASP 27 HA ASP 27 53.292 43.340 69.047 196 1HB ASP 27 2HB ASP 27 54.430 41.314 70.537 197 2HB ASP 27 1HB ASP 27 55.402 42.694 69.704 198 H PHE 28 H PHE 28 51.294 42.700 68.780 199 HA PHE 28 HA PHE 28 50.218 40.754 70.785 200 1HB PHE 28 2HB PHE 28 48.987 43.285 69.475 201 2HB PHE 28 1HB PHE 28 47.901 41.957 70.044 202 HD1 PHE 28 HD2 PHE 28 48.760 41.005 72.399 203 HD2 PHE 28 HD1 PHE 28 49.108 45.053 71.087 204 HE1 PHE 28 HE2 PHE 28 48.797 41.746 74.763 205 HE2 PHE 28 HE1 PHE 28 49.149 45.823 73.537 206 HZ PHE 28 HZ PHE 28 49.003 44.157 75.296 207 H ALA 29 H ALA 29 51.546 40.866 68.067 208 HA ALA 29 HA ALA 29 51.316 39.783 65.928 209 1HB ALA 29 1HB ALA 29 50.944 38.056 68.137 210 2HB ALA 29 3HB ALA 29 49.463 37.735 67.159 211 3HB ALA 29 2HB ALA 29 51.141 37.550 66.403 212 H THR 30 H THR 30 49.768 41.821 66.503 213 HA THR 30 HA THR 30 47.107 41.249 65.325 214 HB THR 30 HB THR 30 47.765 42.912 67.322 215 HG1 THR 30 1HG THR 30 45.698 42.794 67.056 216 1HG2 THR 30 2HG2 THR 30 48.979 44.455 65.571 217 2HG2 THR 30 1HG2 THR 30 47.369 44.739 64.830 218 3HG2 THR 30 3HG2 THR 30 47.625 45.242 66.565 219 H ARG 31 H ARG 31 50.143 41.999 64.504 220 HA ARG 31 HA ARG 31 49.592 43.354 61.904 221 1HB ARG 31 2HB ARG 31 52.302 43.496 62.037 222 2HB ARG 31 1HB ARG 31 51.174 44.661 62.813 223 1HG ARG 31 2HG ARG 31 53.083 43.857 64.413 224 2HG ARG 31 1HG ARG 31 51.459 43.298 64.989 225 1HD ARG 31 2HD ARG 31 51.922 41.055 64.096 226 2HD ARG 31 1HD ARG 31 53.306 41.639 63.050 227 HE ARG 31 HE ARG 31 53.985 42.333 65.598 228 1HH1 ARG 31 1HH1 ARG 31 53.096 39.348 63.892 229 2HH1 ARG 31 2HH1 ARG 31 54.115 38.310 64.923 230 1HH2 ARG 31 1HH2 ARG 31 55.342 40.905 66.974 231 2HH2 ARG 31 2HH2 ARG 31 55.297 39.169 66.588 232 H LYS 32 H LYS 32 51.743 42.660 60.454 233 HA LYS 32 HA LYS 32 52.815 40.987 59.369 234 1HB LYS 32 2HB LYS 32 52.931 38.819 60.181 235 2HB LYS 32 1HB LYS 32 52.190 39.704 61.581 236 1HG LYS 32 2HG LYS 32 50.556 38.017 61.446 237 2HG LYS 32 1HG LYS 32 49.930 38.972 60.089 238 1HD LYS 32 2HD LYS 32 50.408 37.297 58.606 239 2HD LYS 32 1HD LYS 32 52.149 37.575 58.985 240 1HE LYS 32 2HE LYS 32 51.732 36.199 61.189 241 2HE LYS 32 1HE LYS 32 50.225 35.577 60.389 242 1HZ LYS 32 1HZ LYS 32 52.532 35.497 58.636 243 2HZ LYS 32 3HZ LYS 32 52.732 34.642 60.034 244 3HZ LYS 32 2HZ LYS 32 51.431 34.318 58.992 245 H ILE 33 H ILE 33 49.637 41.795 59.541 246 HA ILE 33 HA ILE 33 49.181 40.646 56.780 247 HB ILE 33 HB ILE 33 46.597 41.221 57.794 248 1HG1 ILE 33 2HG1 ILE 33 46.444 40.044 59.970 249 2HG1 ILE 33 1HG1 ILE 33 48.258 39.986 60.083 250 1HG2 ILE 33 2HG2 ILE 33 48.023 39.010 56.774 251 2HG2 ILE 33 1HG2 ILE 33 47.616 38.448 58.460 252 3HG2 ILE 33 3HG2 ILE 33 46.296 38.900 57.345 253 1HD1 ILE 33 1HD1 ILE 33 47.937 42.696 59.580 254 2HD1 ILE 33 3HD1 ILE 33 46.294 42.328 60.191 255 3HD1 ILE 33 2HD1 ILE 33 47.727 41.971 61.260 256 H ALA 34 H ALA 34 49.840 43.370 58.407 257 HA ALA 34 HA ALA 34 48.185 45.162 56.593 258 1HB ALA 34 1HB ALA 34 48.125 45.235 59.400 259 2HB ALA 34 3HB ALA 34 49.668 46.123 59.083 260 3HB ALA 34 2HB ALA 34 48.119 46.742 58.396 261 H VAL 35 H VAL 35 50.494 43.671 56.147 262 HA VAL 35 HA VAL 35 53.037 44.809 56.325 263 HB VAL 35 HB VAL 35 51.631 43.708 53.811 264 1HG1 VAL 35 3HG1 VAL 35 54.565 44.461 54.372 265 2HG1 VAL 35 2HG1 VAL 35 54.164 43.181 53.138 266 3HG1 VAL 35 1HG1 VAL 35 53.512 44.832 52.938 267 1HG2 VAL 35 2HG2 VAL 35 52.656 42.544 56.272 268 2HG2 VAL 35 1HG2 VAL 35 51.792 41.681 54.936 269 3HG2 VAL 35 3HG2 VAL 35 53.594 41.880 54.853 270 H ARG 36 H ARG 36 50.460 45.563 54.303 271 HA ARG 36 HA ARG 36 50.373 48.275 54.034 272 1HB ARG 36 2HB ARG 36 52.670 48.646 53.522 273 2HB ARG 36 1HB ARG 36 52.613 47.299 52.248 274 1HG ARG 36 2HG ARG 36 50.592 49.432 51.752 275 2HG ARG 36 1HG ARG 36 52.280 50.102 51.871 276 1HD ARG 36 2HD ARG 36 51.617 47.602 50.263 277 2HD ARG 36 1HD ARG 36 51.500 49.239 49.547 278 HE ARG 36 HE ARG 36 53.997 49.395 50.517 279 1HH1 ARG 36 1HH1 ARG 36 52.586 46.459 49.100 280 2HH1 ARG 36 2HH1 ARG 36 54.182 45.809 48.595 281 1HH2 ARG 36 2HH2 ARG 36 56.090 48.461 49.819 282 2HH2 ARG 36 1HH2 ARG 36 56.020 46.898 49.011 283 H LEU 37 H LEU 37 48.765 48.655 53.094 284 HA LEU 37 HA LEU 37 48.358 47.510 50.382 285 1HB LEU 37 2HB LEU 37 45.769 47.056 51.119 286 2HB LEU 37 1HB LEU 37 47.071 45.804 51.373 287 HG LEU 37 HG LEU 37 46.295 47.816 53.536 288 1HD1 LEU 37 1HD1 LEU 37 44.761 45.608 52.406 289 2HD1 LEU 37 3HD1 LEU 37 45.302 45.225 54.066 290 3HD1 LEU 37 2HD1 LEU 37 44.407 46.820 53.708 291 1HD2 LEU 37 1HD2 LEU 37 48.142 45.400 53.052 292 2HD2 LEU 37 3HD2 LEU 37 48.307 46.695 54.293 293 3HD2 LEU 37 2HD2 LEU 37 47.179 45.289 54.583 294 H THR 38 H THR 38 48.205 49.055 49.243 295 HA THR 38 HA THR 38 47.507 50.958 48.204 296 HB THR 38 HB THR 38 45.543 51.470 50.454 297 HG1 THR 38 1HG THR 38 44.916 49.809 48.300 298 1HG2 THR 38 1HG2 THR 38 45.726 51.831 47.381 299 2HG2 THR 38 3HG2 THR 38 44.106 51.795 48.244 300 3HG2 THR 38 2HG2 THR 38 45.326 53.108 48.588 301 H GLN 39 H GLN 39 49.639 50.876 50.352 302 HA GLN 39 HA GLN 39 49.363 53.375 51.684 303 1HB GLN 39 2HB GLN 39 50.829 51.447 52.404 304 2HB GLN 39 1HB GLN 39 51.940 51.871 50.999 305 1HG GLN 39 2HG GLN 39 52.823 53.552 52.284 306 2HG GLN 39 1HG GLN 39 51.089 54.268 52.365 307 1HE2 GLN 39 2HE2 GLN 39 52.438 51.545 55.195 308 2HE2 GLN 39 1HE2 GLN 39 52.912 51.481 53.500 309 H THR 40 H THR 40 49.331 55.154 50.870 310 HA THR 40 HA THR 40 51.319 56.145 48.887 311 HB THR 40 HB THR 40 48.289 56.643 48.957 312 HG1 THR 40 1HG THR 40 49.681 55.685 46.725 313 1HG2 THR 40 2HG2 THR 40 50.663 57.990 47.508 314 2HG2 THR 40 1HG2 THR 40 49.064 57.819 46.618 315 3HG2 THR 40 3HG2 THR 40 49.150 58.733 48.166 316 H LYS 41 H LYS 41 52.459 57.364 50.181 317 HA LYS 41 HA LYS 41 51.127 59.046 52.222 318 1HB LYS 41 2HB LYS 41 53.491 58.349 52.642 319 2HB LYS 41 1HB LYS 41 54.026 59.021 51.062 320 1HG LYS 41 2HG LYS 41 52.720 60.936 53.028 321 2HG LYS 41 1HG LYS 41 54.376 60.310 53.364 322 1HD LYS 41 2HD LYS 41 54.877 61.037 50.831 323 2HD LYS 41 1HD LYS 41 53.309 61.923 50.923 324 1HE LYS 41 2HE LYS 41 55.377 63.283 51.415 325 2HE LYS 41 1HE LYS 41 53.973 63.387 52.585 326 1HZ LYS 41 2HZ LYS 41 56.350 61.661 52.915 327 2HZ LYS 41 1HZ LYS 41 56.229 63.151 53.679 328 3HZ LYS 41 3HZ LYS 41 55.197 61.897 54.062 329 H ILE 42 H ILE 42 50.596 61.114 52.143 330 HA ILE 42 HA ILE 42 51.096 62.565 49.500 331 HB ILE 42 HB ILE 42 48.464 62.505 51.180 332 1HG1 ILE 42 2HG1 ILE 42 48.136 62.231 48.403 333 2HG1 ILE 42 1HG1 ILE 42 49.520 61.105 48.862 334 1HG2 ILE 42 2HG2 ILE 42 49.078 64.231 48.691 335 2HG2 ILE 42 1HG2 ILE 42 47.563 63.983 49.544 336 3HG2 ILE 42 3HG2 ILE 42 48.875 64.818 50.427 337 1HD1 ILE 42 1HD1 ILE 42 47.738 60.704 50.906 338 2HD1 ILE 42 3HD1 ILE 42 46.562 60.968 49.555 339 3HD1 ILE 42 2HD1 ILE 42 47.801 59.600 49.520 340 H ILE 43 H ILE 43 50.972 64.851 49.620 341 HA ILE 43 HA ILE 43 51.716 65.946 52.380 342 HB ILE 43 HB ILE 43 53.574 65.176 50.840 343 1HG1 ILE 43 2HG1 ILE 43 53.844 66.609 52.782 344 2HG1 ILE 43 1HG1 ILE 43 55.038 67.079 51.461 345 1HG2 ILE 43 3HG2 ILE 43 52.498 66.307 48.770 346 2HG2 ILE 43 2HG2 ILE 43 53.116 67.878 49.375 347 3HG2 ILE 43 1HG2 ILE 43 54.327 66.586 49.031 348 1HD1 ILE 43 3HD1 ILE 43 52.661 68.728 51.062 349 2HD1 ILE 43 2HD1 ILE 43 52.775 68.577 52.833 350 3HD1 ILE 43 1HD1 ILE 43 54.216 69.177 51.831 351 H VAL 44 H VAL 44 50.561 67.544 52.858 352 HA VAL 44 HA VAL 44 49.518 69.367 50.609 353 HB VAL 44 HB VAL 44 48.111 68.620 53.190 354 1HG1 VAL 44 3HG1 VAL 44 47.741 70.743 51.106 355 2HG1 VAL 44 2HG1 VAL 44 46.237 69.911 51.649 356 3HG1 VAL 44 1HG1 VAL 44 47.289 70.763 52.879 357 1HG2 VAL 44 2HG2 VAL 44 47.682 67.864 50.284 358 2HG2 VAL 44 1HG2 VAL 44 47.633 66.773 51.708 359 3HG2 VAL 44 3HG2 VAL 44 46.227 67.900 51.376 360 H GLN 45 H GLN 45 51.324 70.672 51.001 361 HA GLN 45 HA GLN 45 51.473 72.053 53.638 362 1HB GLN 45 2HB GLN 45 53.396 70.976 52.629 363 2HB GLN 45 1HB GLN 45 53.348 72.178 51.211 364 1HG GLN 45 2HG GLN 45 53.128 73.380 53.995 365 2HG GLN 45 1HG GLN 45 54.760 72.595 53.586 366 1HE2 GLN 45 1HE2 GLN 45 55.590 75.113 51.364 367 2HE2 GLN 45 2HE2 GLN 45 56.035 73.512 52.221 368 H ASP 46 H ASP 46 51.247 73.985 53.999 369 HA ASP 46 HA ASP 46 50.665 75.736 51.681 370 1HB ASP 46 2HB ASP 46 48.671 74.299 52.254 371 2HB ASP 46 1HB ASP 46 48.514 75.158 53.855 372 H GLY 47 H GLY 47 52.584 75.889 53.802 373 1HA GLY 47 1HA GLY 47 53.659 77.850 54.676 374 2HA GLY 47 2HA GLY 47 52.090 78.787 54.634 375 H ASP 48 H ASP 48 50.452 77.801 55.949 376 HA ASP 48 HA ASP 48 51.482 76.805 58.577 377 1HB ASP 48 2HB ASP 48 49.295 78.854 58.845 378 2HB ASP 48 1HB ASP 48 50.991 78.793 59.640 379 H ASN 49 H ASN 49 50.674 74.994 58.444 380 HA ASN 49 HA ASN 49 48.896 73.497 59.294 381 1HB ASN 49 2HB ASN 49 47.073 75.371 58.903 382 2HB ASN 49 1HB ASN 49 46.993 74.691 57.186 383 1HD2 ASN 49 2HD2 ASN 49 44.501 72.754 58.809 384 2HD2 ASN 49 1HD2 ASN 49 44.862 74.354 57.902 385 H PHE 50 H PHE 50 50.590 72.465 58.491 386 HA PHE 50 HA PHE 50 50.589 71.484 55.708 387 1HB PHE 50 2HB PHE 50 52.716 72.204 56.556 388 2HB PHE 50 1HB PHE 50 52.500 71.336 58.144 389 HD1 PHE 50 HD1 PHE 50 52.290 68.891 58.221 390 HD2 PHE 50 HD2 PHE 50 53.594 71.108 54.734 391 HE1 PHE 50 HE1 PHE 50 53.364 66.773 57.205 392 HE2 PHE 50 HE2 PHE 50 54.622 69.067 53.805 393 HZ PHE 50 HZ PHE 50 54.474 66.939 55.065 394 H LYS 51 H LYS 51 49.748 69.524 55.125 395 HA LYS 51 HA LYS 51 49.412 67.751 57.485 396 1HB LYS 51 2HB LYS 51 47.193 68.080 55.382 397 2HB LYS 51 1HB LYS 51 47.086 67.215 56.980 398 1HG LYS 51 2HG LYS 51 46.729 69.389 58.101 399 2HG LYS 51 1HG LYS 51 47.784 70.242 56.911 400 1HD LYS 51 2HD LYS 51 46.048 69.675 55.173 401 2HD LYS 51 1HD LYS 51 45.026 69.038 56.544 402 1HE LYS 51 2HE LYS 51 45.685 71.472 57.544 403 2HE LYS 51 1HE LYS 51 45.554 71.915 55.744 404 1HZ LYS 51 2HZ LYS 51 43.506 70.522 57.429 405 2HZ LYS 51 1HZ LYS 51 43.477 72.135 56.994 406 3HZ LYS 51 3HZ LYS 51 43.379 70.937 55.823 407 H THR 52 H THR 52 51.178 66.573 56.654 408 HA THR 52 HA THR 52 51.032 65.251 54.096 409 HB THR 52 HB THR 52 52.559 65.071 56.663 410 HG1 THR 52 1HG THR 52 52.916 65.679 54.385 411 1HG2 THR 52 1HG2 THR 52 51.543 62.640 56.630 412 2HG2 THR 52 3HG2 THR 52 52.256 62.420 54.993 413 3HG2 THR 52 2HG2 THR 52 53.376 62.670 56.327 414 H LYS 53 H LYS 53 50.279 62.889 53.672 415 HA LYS 53 HA LYS 53 48.829 61.616 55.849 416 1HB LYS 53 2HB LYS 53 46.714 62.611 55.619 417 2HB LYS 53 1HB LYS 53 47.480 63.845 54.520 418 1HG LYS 53 2HG LYS 53 47.014 61.966 52.663 419 2HG LYS 53 1HG LYS 53 45.753 61.443 53.903 420 1HD LYS 53 2HD LYS 53 44.644 63.443 53.848 421 2HD LYS 53 1HD LYS 53 46.101 64.345 53.157 422 1HE LYS 53 2HE LYS 53 45.750 63.422 50.917 423 2HE LYS 53 1HE LYS 53 44.548 62.184 51.574 424 1HZ LYS 53 2HZ LYS 53 44.126 65.094 51.847 425 2HZ LYS 53 1HZ LYS 53 43.700 64.321 50.479 426 3HZ LYS 53 3HZ LYS 53 43.028 63.847 51.961 427 H THR 54 H THR 54 48.211 59.717 55.531 428 HA THR 54 HA THR 54 49.112 58.525 52.921 429 HB THR 54 HB THR 54 49.906 57.770 55.342 430 HG1 THR 54 1HG THR 54 49.218 55.959 53.284 431 1HG2 THR 54 1HG2 THR 54 47.530 57.297 56.116 432 2HG2 THR 54 3HG2 THR 54 47.345 56.029 54.841 433 3HG2 THR 54 2HG2 THR 54 48.582 55.775 56.093 434 H ASN 55 H ASN 55 47.939 56.658 51.989 435 HA ASN 55 HA ASN 55 44.954 57.053 52.443 436 1HB ASN 55 2HB ASN 55 45.918 58.429 50.603 437 2HB ASN 55 1HB ASN 55 46.083 56.846 49.624 438 1HD2 ASN 55 2HD2 ASN 55 42.460 58.669 50.634 439 2HD2 ASN 55 1HD2 ASN 55 44.163 59.121 51.330 440 H SER 56 H SER 56 46.697 55.066 53.325 441 HA SER 56 HA SER 56 46.169 52.498 51.921 442 1HB SER 56 2HB SER 56 46.835 51.432 54.110 443 2HB SER 56 1HB SER 56 47.857 52.996 53.864 444 HG SER 56 HG SER 56 46.715 53.948 55.304 445 H THR 57 H THR 57 44.752 51.096 52.144 446 HA THR 57 HA THR 57 42.068 52.037 52.551 447 HB THR 57 HB THR 57 43.091 49.117 52.451 448 HG1 THR 57 1HG THR 57 42.830 49.326 50.240 449 1HG2 THR 57 2HG2 THR 57 40.362 50.041 52.706 450 2HG2 THR 57 1HG2 THR 57 40.648 50.015 50.909 451 3HG2 THR 57 3HG2 THR 57 40.861 48.513 51.951 452 H PHE 58 H PHE 58 44.510 50.629 54.249 453 HA PHE 58 HA PHE 58 42.980 49.740 56.666 454 1HB PHE 58 2HB PHE 58 45.954 49.632 55.857 455 2HB PHE 58 1HB PHE 58 45.437 49.558 57.591 456 HD1 PHE 58 HD2 PHE 58 42.794 48.198 55.471 457 HD2 PHE 58 HD1 PHE 58 46.645 47.350 57.280 458 HE1 PHE 58 HE2 PHE 58 42.392 45.817 55.301 459 HE2 PHE 58 HE1 PHE 58 46.147 44.871 57.082 460 HZ PHE 58 HZ PHE 58 44.052 44.211 56.094 461 H ARG 59 H ARG 59 45.961 51.633 56.672 462 HA ARG 59 HA ARG 59 44.513 53.341 58.859 463 1HB ARG 59 2HB ARG 59 47.531 52.960 58.659 464 2HB ARG 59 1HB ARG 59 46.516 53.756 59.994 465 1HG ARG 59 2HG ARG 59 45.403 51.136 59.578 466 2HG ARG 59 1HG ARG 59 47.257 51.004 59.702 467 1HD ARG 59 2HD ARG 59 46.925 52.526 61.862 468 2HD ARG 59 1HD ARG 59 45.214 52.038 61.681 469 HE ARG 59 HE ARG 59 47.137 49.798 61.456 470 1HH1 ARG 59 2HH1 ARG 59 45.013 51.778 63.751 471 2HH1 ARG 59 1HH1 ARG 59 44.974 50.474 64.881 472 1HH2 ARG 59 1HH2 ARG 59 46.922 48.185 63.175 473 2HH2 ARG 59 2HH2 ARG 59 45.997 48.597 64.592 474 H ASN 60 H ASN 60 43.689 54.699 57.489 475 HA ASN 60 HA ASN 60 45.712 56.411 56.095 476 1HB ASN 60 2HB ASN 60 43.588 57.787 55.444 477 2HB ASN 60 1HB ASN 60 43.739 56.096 54.702 478 1HD2 ASN 60 1HD2 ASN 60 40.340 56.032 55.749 479 2HD2 ASN 60 2HD2 ASN 60 41.400 56.466 54.374 480 H TYR 61 H TYR 61 46.447 56.668 58.321 481 HA TYR 61 HA TYR 61 45.050 58.681 59.996 482 1HB TYR 61 2HB TYR 61 46.435 56.756 60.958 483 2HB TYR 61 1HB TYR 61 47.925 57.464 60.163 484 HD1 TYR 61 HD1 TYR 61 48.815 59.544 60.861 485 HD2 TYR 61 HD2 TYR 61 45.499 57.840 62.933 486 HE1 TYR 61 HE1 TYR 61 49.263 61.104 62.721 487 HE2 TYR 61 HE2 TYR 61 45.861 59.330 64.811 488 HH TYR 61 HH TYR 61 48.616 60.834 65.379 489 H ASP 62 H ASP 62 45.202 60.801 59.249 490 HA ASP 62 HA ASP 62 47.525 61.672 57.636 491 1HB ASP 62 2HB ASP 62 46.337 63.932 57.766 492 2HB ASP 62 1HB ASP 62 45.348 62.483 57.026 493 H LEU 63 H LEU 63 48.566 63.524 57.864 494 HA LEU 63 HA LEU 63 49.779 63.907 60.591 495 1HB LEU 63 2HB LEU 63 51.110 63.094 58.424 496 2HB LEU 63 1HB LEU 63 50.925 64.852 57.912 497 HG LEU 63 HG LEU 63 51.933 65.415 60.268 498 1HD1 LEU 63 3HD1 LEU 63 51.794 62.359 60.342 499 2HD1 LEU 63 2HD1 LEU 63 53.251 63.259 61.033 500 3HD1 LEU 63 1HD1 LEU 63 51.518 63.550 61.609 501 1HD2 LEU 63 1HD2 LEU 63 53.463 63.944 58.057 502 2HD2 LEU 63 3HD2 LEU 63 53.618 65.662 58.752 503 3HD2 LEU 63 2HD2 LEU 63 54.268 64.188 59.620 504 H ASP 64 H ASP 64 47.330 65.182 60.147 505 HA ASP 64 HA ASP 64 47.779 67.861 59.147 506 1HB ASP 64 2HB ASP 64 45.581 66.573 59.219 507 2HB ASP 64 1HB ASP 64 45.597 66.837 61.082 508 H PHE 65 H PHE 65 49.445 68.784 59.962 509 HA PHE 65 HA PHE 65 49.014 69.997 62.570 510 1HB PHE 65 2HB PHE 65 50.757 69.131 63.853 511 2HB PHE 65 1HB PHE 65 49.941 67.748 63.065 512 HD1 PHE 65 HD2 PHE 65 51.255 68.230 60.291 513 HD2 PHE 65 HD1 PHE 65 52.836 68.028 64.263 514 HE1 PHE 65 HE2 PHE 65 53.403 67.491 59.390 515 HE2 PHE 65 HE1 PHE 65 55.003 67.285 63.399 516 HZ PHE 65 HZ PHE 65 55.282 67.009 60.895 517 H THR 66 H THR 66 49.797 71.810 62.756 518 HA THR 66 HA THR 66 51.307 73.148 60.542 519 HB THR 66 HB THR 66 49.255 73.712 62.458 520 HG1 THR 66 1HG THR 66 50.552 75.229 60.460 521 1HG2 THR 66 3HG2 THR 66 51.442 74.858 63.704 522 2HG2 THR 66 2HG2 THR 66 51.504 75.928 62.276 523 3HG2 THR 66 1HG2 THR 66 50.038 75.931 63.393 524 H VAL 67 H VAL 67 52.768 74.861 61.158 525 HA VAL 67 HA VAL 67 55.072 73.588 62.540 526 HB VAL 67 HB VAL 67 54.842 76.416 61.410 527 1HG1 VAL 67 1HG1 VAL 67 57.083 74.341 61.917 528 2HG1 VAL 67 3HG1 VAL 67 57.313 75.970 61.080 529 3HG1 VAL 67 2HG1 VAL 67 56.802 75.910 62.840 530 1HG2 VAL 67 3HG2 VAL 67 54.283 74.261 59.880 531 2HG2 VAL 67 2HG2 VAL 67 55.266 75.678 59.250 532 3HG2 VAL 67 1HG2 VAL 67 56.047 74.108 59.783 533 H GLY 68 H GLY 68 55.943 73.958 64.347 534 1HA GLY 68 1HA GLY 68 56.286 74.936 66.452 535 2HA GLY 68 2HA GLY 68 55.565 76.453 65.696 536 H VAL 69 H VAL 69 53.237 74.003 65.382 537 HA VAL 69 HA VAL 69 51.460 75.319 67.197 538 HB VAL 69 HB VAL 69 50.916 73.683 65.276 539 1HG1 VAL 69 3HG1 VAL 69 52.792 72.152 65.942 540 2HG1 VAL 69 2HG1 VAL 69 51.650 71.347 67.123 541 3HG1 VAL 69 1HG1 VAL 69 51.206 71.388 65.375 542 1HG2 VAL 69 2HG2 VAL 69 49.507 74.272 67.476 543 2HG2 VAL 69 1HG2 VAL 69 48.909 73.075 66.266 544 3HG2 VAL 69 3HG2 VAL 69 49.699 72.479 67.786 545 H GLU 70 H GLU 70 54.042 73.028 67.567 546 HA GLU 70 HA GLU 70 54.650 71.770 69.471 547 1HB GLU 70 2HB GLU 70 54.711 74.177 70.556 548 2HB GLU 70 1HB GLU 70 52.968 73.787 71.090 549 1HG GLU 70 2HG GLU 70 54.131 71.615 71.974 550 2HG GLU 70 1HG GLU 70 55.521 72.881 72.285 551 H PHE 71 H PHE 71 53.563 70.460 68.499 552 HA PHE 71 HA PHE 71 50.813 69.766 69.247 553 1HB PHE 71 2HB PHE 71 52.551 68.775 67.323 554 2HB PHE 71 1HB PHE 71 52.422 67.377 68.444 555 HD1 PHE 71 HD2 PHE 71 50.551 69.733 66.394 556 HD2 PHE 71 HD1 PHE 71 50.412 66.102 68.614 557 HE1 PHE 71 HE2 PHE 71 48.259 69.193 65.354 558 HE2 PHE 71 HE1 PHE 71 48.241 65.560 67.668 559 HZ PHE 71 HZ PHE 71 47.151 67.083 66.045 560 H ASP 72 H ASP 72 49.900 68.453 70.568 561 HA ASP 72 HA ASP 72 51.496 67.093 72.736 562 1HB ASP 72 2HB ASP 72 50.094 69.283 73.171 563 2HB ASP 72 1HB ASP 72 48.592 68.268 72.889 564 H GLU 73 H GLU 73 51.303 65.531 70.903 565 HA GLU 73 HA GLU 73 48.945 64.055 70.249 566 1HB GLU 73 2HB GLU 73 51.439 63.961 69.436 567 2HB GLU 73 1HB GLU 73 51.680 62.722 70.747 568 1HG GLU 73 2HG GLU 73 49.679 61.531 69.807 569 2HG GLU 73 1HG GLU 73 49.715 62.769 68.362 570 H HIS 74 H HIS 74 47.905 62.484 71.108 571 HA HIS 74 HA HIS 74 48.479 61.878 74.012 572 1HB HIS 74 2HB HIS 74 46.116 62.843 72.579 573 2HB HIS 74 1HB HIS 74 45.782 61.181 73.264 574 HD1 HIS 74 HD1 HIS 74 48.200 63.603 74.881 575 HD2 HIS 74 HD2 HIS 74 44.365 62.023 75.365 576 HE1 HIS 74 HE1 HIS 74 47.438 64.264 77.236 577 HE2 HIS 74 HE2 HIS 74 45.078 63.319 77.579 578 H THR 75 H THR 75 49.289 60.570 71.508 579 HA THR 75 HA THR 75 49.255 58.446 70.413 580 HB THR 75 HB THR 75 50.406 56.893 72.299 581 HG1 THR 75 1HG THR 75 50.474 59.518 73.365 582 1HG2 THR 75 2HG2 THR 75 51.213 59.580 70.949 583 2HG2 THR 75 1HG2 THR 75 52.393 58.876 72.093 584 3HG2 THR 75 3HG2 THR 75 51.934 57.935 70.613 585 H LYS 76 H LYS 76 47.374 57.552 70.077 586 HA LYS 76 HA LYS 76 46.696 55.266 71.939 587 1HB LYS 76 2HB LYS 76 44.274 55.786 72.042 588 2HB LYS 76 1HB LYS 76 45.324 57.092 72.776 589 1HG LYS 76 2HG LYS 76 45.247 57.897 70.102 590 2HG LYS 76 1HG LYS 76 43.556 57.280 70.379 591 1HD LYS 76 2HD LYS 76 43.438 58.570 72.533 592 2HD LYS 76 1HD LYS 76 44.995 59.389 72.030 593 1HE LYS 76 2HE LYS 76 43.991 60.580 70.319 594 2HE LYS 76 1HE LYS 76 42.799 59.263 69.893 595 1HZ LYS 76 3HZ LYS 76 41.552 59.912 71.920 596 2HZ LYS 76 2HZ LYS 76 42.594 61.209 72.142 597 3HZ LYS 76 1HZ LYS 76 41.686 61.099 70.765 598 H GLY 77 H GLY 77 45.698 53.712 71.357 599 1HA GLY 77 1HA GLY 77 44.301 52.377 69.769 600 2HA GLY 77 2HA GLY 77 44.905 53.396 68.414 601 H LEU 78 H LEU 78 47.509 53.593 69.339 602 HA LEU 78 HA LEU 78 48.605 50.873 68.433 603 1HB LEU 78 2HB LEU 78 48.730 53.171 67.060 604 2HB LEU 78 1HB LEU 78 50.126 53.478 68.177 605 HG LEU 78 HG LEU 78 50.984 51.103 67.514 606 1HD1 LEU 78 2HD1 LEU 78 48.650 50.705 66.359 607 2HD1 LEU 78 1HD1 LEU 78 49.516 51.517 64.926 608 3HD1 LEU 78 3HD1 LEU 78 50.186 50.016 65.660 609 1HD2 LEU 78 3HD2 LEU 78 51.513 53.703 66.573 610 2HD2 LEU 78 2HD2 LEU 78 52.404 52.281 65.996 611 3HD2 LEU 78 1HD2 LEU 78 50.976 52.830 65.043 612 H ASP 79 H ASP 79 48.552 52.992 71.133 613 HA ASP 79 HA ASP 79 50.880 51.465 72.169 614 1HB ASP 79 2HB ASP 79 51.550 54.085 72.886 615 2HB ASP 79 1HB ASP 79 52.380 53.103 71.557 616 H GLY 80 H GLY 80 49.573 54.726 72.917 617 1HA GLY 80 1HA GLY 80 48.012 55.269 74.576 618 2HA GLY 80 2HA GLY 80 48.365 53.669 75.446 619 H ARG 81 H ARG 81 49.289 56.920 74.576 620 HA ARG 81 HA ARG 81 50.748 57.080 77.164 621 1HB ARG 81 2HB ARG 81 52.439 56.161 75.579 622 2HB ARG 81 1HB ARG 81 52.412 57.713 74.565 623 1HG ARG 81 2HG ARG 81 53.787 58.645 76.046 624 2HG ARG 81 1HG ARG 81 52.592 58.452 77.353 625 1HD ARG 81 2HD ARG 81 54.878 56.620 76.471 626 2HD ARG 81 1HD ARG 81 54.663 57.334 78.157 627 HE ARG 81 HE ARG 81 53.402 54.899 77.072 628 1HH1 ARG 81 1HH2 ARG 81 53.294 57.541 79.457 629 2HH1 ARG 81 2HH2 ARG 81 52.335 56.712 80.653 630 1HH2 ARG 81 1HH1 ARG 81 52.098 53.695 78.655 631 2HH2 ARG 81 2HH1 ARG 81 51.650 54.452 80.178 632 H ASN 82 H ASN 82 52.230 59.637 75.465 633 HA ASN 82 HA ASN 82 50.504 61.505 74.947 634 1HB ASN 82 2HB ASN 82 50.449 62.814 77.338 635 2HB ASN 82 1HB ASN 82 49.156 61.469 77.082 636 1HD2 ASN 82 1HD2 ASN 82 50.301 59.503 79.658 637 2HD2 ASN 82 2HD2 ASN 82 49.177 59.810 78.339 638 H VAL 83 H VAL 83 51.833 62.573 73.874 639 HA VAL 83 HA VAL 83 54.167 63.760 75.389 640 HB VAL 83 HB VAL 83 54.656 62.684 72.661 641 1HG1 VAL 83 2HG1 VAL 83 56.273 63.183 75.192 642 2HG1 VAL 83 1HG1 VAL 83 56.791 61.826 74.143 643 3HG1 VAL 83 3HG1 VAL 83 56.757 63.453 73.414 644 1HG2 VAL 83 3HG2 VAL 83 54.434 61.007 75.286 645 2HG2 VAL 83 2HG2 VAL 83 53.636 60.711 73.624 646 3HG2 VAL 83 1HG2 VAL 83 55.384 60.405 73.845 647 H LYS 84 H LYS 84 55.475 65.070 74.368 648 HA LYS 84 HA LYS 84 54.029 67.175 72.873 649 1HB LYS 84 2HB LYS 84 56.672 67.000 74.274 650 2HB LYS 84 1HB LYS 84 56.756 67.781 72.643 651 1HG LYS 84 2HG LYS 84 56.227 69.437 74.490 652 2HG LYS 84 1HG LYS 84 54.986 69.338 73.146 653 1HD LYS 84 2HD LYS 84 53.842 69.403 75.367 654 2HD LYS 84 1HD LYS 84 53.634 67.749 74.703 655 1HE LYS 84 2HE LYS 84 54.373 67.531 77.057 656 2HE LYS 84 1HE LYS 84 55.753 67.026 76.000 657 1HZ LYS 84 2HZ LYS 84 55.427 69.831 76.915 658 2HZ LYS 84 1HZ LYS 84 56.256 68.702 77.849 659 3HZ LYS 84 3HZ LYS 84 56.797 69.096 76.327 660 H THR 85 H THR 85 55.032 68.184 71.041 661 HA THR 85 HA THR 85 56.615 66.703 69.061 662 HB THR 85 HB THR 85 53.712 66.116 69.243 663 HG1 THR 85 1HG THR 85 55.924 64.815 68.157 664 1HG2 THR 85 1HG2 THR 85 55.413 66.627 66.641 665 2HG2 THR 85 3HG2 THR 85 53.990 65.479 66.640 666 3HG2 THR 85 2HG2 THR 85 53.786 67.266 66.924 667 H LEU 86 H LEU 86 57.600 68.523 69.269 668 HA LEU 86 HA LEU 86 56.135 70.884 68.237 669 1HB LEU 86 2HB LEU 86 57.616 71.247 70.146 670 2HB LEU 86 1HB LEU 86 59.042 70.618 69.141 671 HG LEU 86 HG LEU 86 57.869 72.677 67.524 672 1HD1 LEU 86 3HD1 LEU 86 58.243 73.369 70.462 673 2HD1 LEU 86 2HD1 LEU 86 57.841 74.543 69.141 674 3HD1 LEU 86 1HD1 LEU 86 56.595 73.325 69.634 675 1HD2 LEU 86 2HD2 LEU 86 60.384 71.977 68.726 676 2HD2 LEU 86 1HD2 LEU 86 60.107 73.405 67.596 677 3HD2 LEU 86 3HD2 LEU 86 60.001 73.626 69.367 678 H VAL 87 H VAL 87 55.860 71.141 66.281 679 HA VAL 87 HA VAL 87 57.709 70.167 64.224 680 HB VAL 87 HB VAL 87 55.353 72.152 63.888 681 1HG1 VAL 87 1HG1 VAL 87 56.719 70.159 62.026 682 2HG1 VAL 87 3HG1 VAL 87 55.168 71.053 61.634 683 3HG1 VAL 87 2HG1 VAL 87 56.744 71.921 61.938 684 1HG2 VAL 87 2HG2 VAL 87 55.195 69.076 64.206 685 2HG2 VAL 87 1HG2 VAL 87 54.253 70.395 65.032 686 3HG2 VAL 87 3HG2 VAL 87 53.970 70.097 63.289 687 H THR 88 H THR 88 58.787 71.432 62.764 688 HA THR 88 HA THR 88 59.046 74.364 63.181 689 HB THR 88 HB THR 88 61.073 72.210 63.992 690 HG1 THR 88 1HG THR 88 60.342 72.745 65.765 691 1HG2 THR 88 3HG2 THR 88 61.389 75.172 63.181 692 2HG2 THR 88 2HG2 THR 88 62.609 74.416 64.319 693 3HG2 THR 88 1HG2 THR 88 62.417 73.688 62.720 694 H TRP 89 H TRP 89 59.913 75.278 61.417 695 HA TRP 89 HA TRP 89 60.262 73.515 58.996 696 1HB TRP 89 2HB TRP 89 59.853 76.475 59.609 697 2HB TRP 89 1HB TRP 89 60.699 76.132 58.054 698 HD1 TRP 89 HD1 TRP 89 57.160 76.441 59.050 699 HE1 TRP 89 HE1 TRP 89 55.772 74.929 57.509 700 HE3 TRP 89 HE3 TRP 89 60.899 73.758 57.128 701 HZ2 TRP 89 HZ2 TRP 89 56.268 72.726 55.673 702 HZ3 TRP 89 HZ3 TRP 89 60.522 71.996 55.575 703 HH2 TRP 89 HH2 TRP 89 58.247 71.515 54.912 704 H GLU 90 H GLU 90 62.370 72.785 58.267 705 HA GLU 90 HA GLU 90 64.462 74.068 59.929 706 1HB GLU 90 2HB GLU 90 63.786 71.445 59.384 707 2HB GLU 90 1HB GLU 90 65.091 71.833 58.138 708 1HG GLU 90 2HG GLU 90 65.534 72.417 61.194 709 2HG GLU 90 1HG GLU 90 65.816 70.785 60.387 710 H GLY 91 H GLY 91 63.093 74.218 56.954 711 1HA GLY 91 1HA GLY 91 64.213 76.236 55.656 712 2HA GLY 91 2HA GLY 91 65.495 74.987 55.336 713 H ASN 92 H ASN 92 64.854 73.052 54.618 714 HA ASN 92 HA ASN 92 62.396 72.601 52.954 715 1HB ASN 92 2HB ASN 92 64.568 71.139 51.774 716 2HB ASN 92 1HB ASN 92 63.783 72.652 50.989 717 1HD2 ASN 92 2HD2 ASN 92 66.121 74.974 51.639 718 2HD2 ASN 92 1HD2 ASN 92 64.486 74.565 51.184 719 H THR 93 H THR 93 61.590 71.379 54.176 720 HA THR 93 HA THR 93 61.988 68.617 54.510 721 HB THR 93 HB THR 93 64.165 68.979 55.644 722 HG1 THR 93 1HG THR 93 62.375 67.604 56.522 723 1HG2 THR 93 2HG2 THR 93 62.397 70.700 57.603 724 2HG2 THR 93 1HG2 THR 93 64.055 70.108 57.986 725 3HG2 THR 93 3HG2 THR 93 63.819 71.331 56.674 726 H LEU 94 H LEU 94 61.531 68.942 57.590 727 HA LEU 94 HA LEU 94 59.399 70.263 58.359 728 1HB LEU 94 2HB LEU 94 57.978 69.334 56.456 729 2HB LEU 94 1HB LEU 94 58.155 67.706 57.284 730 HG LEU 94 HG LEU 94 57.603 69.352 59.347 731 1HD1 LEU 94 1HD1 LEU 94 57.139 71.298 57.897 732 2HD1 LEU 94 3HD1 LEU 94 55.879 70.333 56.944 733 3HD1 LEU 94 2HD1 LEU 94 55.613 70.789 58.684 734 1HD2 LEU 94 2HD2 LEU 94 55.674 67.728 57.587 735 2HD2 LEU 94 1HD2 LEU 94 56.477 67.249 59.163 736 3HD2 LEU 94 3HD2 LEU 94 55.113 68.439 59.160 737 H VAL 95 H VAL 95 61.003 70.000 59.834 738 HA VAL 95 HA VAL 95 61.446 67.578 61.276 739 HB VAL 95 HB VAL 95 61.626 70.602 61.913 740 1HG1 VAL 95 1HG1 VAL 95 62.576 68.350 63.672 741 2HG1 VAL 95 3HG1 VAL 95 63.505 69.843 63.556 742 3HG1 VAL 95 2HG1 VAL 95 61.734 69.887 64.084 743 1HG2 VAL 95 3HG2 VAL 95 63.238 69.132 60.085 744 2HG2 VAL 95 2HG2 VAL 95 63.885 70.500 61.109 745 3HG2 VAL 95 1HG2 VAL 95 64.090 68.816 61.715 746 H CYS 96 H CYS 96 60.386 66.716 63.107 747 HA CYS 96 HA CYS 96 58.800 68.613 64.733 748 1HB CYS 96 2HB CYS 96 57.428 65.938 64.654 749 2HB CYS 96 1HB CYS 96 56.764 67.543 64.361 750 HG CYS 96 HG CYS 96 56.909 67.642 61.951 751 H VAL 97 H VAL 97 59.238 68.301 66.754 752 HA VAL 97 HA VAL 97 61.176 66.306 67.652 753 HB VAL 97 HB VAL 97 60.193 68.862 68.875 754 1HG1 VAL 97 2HG1 VAL 97 62.054 66.967 70.026 755 2HG1 VAL 97 1HG1 VAL 97 63.061 68.289 69.183 756 3HG1 VAL 97 3HG1 VAL 97 61.869 68.717 70.438 757 1HG2 VAL 97 3HG2 VAL 97 61.963 68.267 66.561 758 2HG2 VAL 97 2HG2 VAL 97 61.075 69.849 66.989 759 3HG2 VAL 97 1HG2 VAL 97 62.689 69.415 67.703 760 H GLN 98 H GLN 98 59.978 64.578 68.395 761 HA GLN 98 HA GLN 98 57.646 64.919 70.135 762 1HB GLN 98 2HB GLN 98 58.307 62.885 68.526 763 2HB GLN 98 1HB GLN 98 59.313 62.340 69.936 764 1HG GLN 98 2HG GLN 98 57.355 61.321 70.664 765 2HG GLN 98 1HG GLN 98 56.845 62.971 71.200 766 1HE2 GLN 98 2HE2 GLN 98 53.980 61.852 69.515 767 2HE2 GLN 98 1HE2 GLN 98 54.888 61.728 71.033 768 H LYS 99 H LYS 99 58.248 66.064 71.781 769 HA LYS 99 HA LYS 99 60.597 65.231 73.363 770 1HB LYS 99 2HB LYS 99 58.478 67.332 73.600 771 2HB LYS 99 1HB LYS 99 59.138 66.788 75.202 772 1HG LYS 99 2HG LYS 99 61.307 67.094 73.327 773 2HG LYS 99 1HG LYS 99 60.389 68.641 73.293 774 1HD LYS 99 2HD LYS 99 61.181 67.183 75.928 775 2HD LYS 99 1HD LYS 99 62.325 68.280 75.001 776 1HE LYS 99 2HE LYS 99 59.833 69.655 75.192 777 2HE LYS 99 1HE LYS 99 59.952 68.706 76.751 778 1HZ LYS 99 2HZ LYS 99 62.405 69.933 76.225 779 2HZ LYS 99 1HZ LYS 99 61.244 71.155 76.308 780 3HZ LYS 99 3HZ LYS 99 61.394 70.077 77.553 781 H GLY 100 H GLY 100 60.267 63.172 73.710 782 1HA GLY 100 1HA GLY 100 58.151 62.555 75.807 783 2HA GLY 100 2HA GLY 100 58.621 61.319 74.560 784 H GLU 101 H GLU 101 58.435 60.693 77.070 785 HA GLU 101 HA GLU 101 61.257 60.312 77.983 786 1HB GLU 101 2HB GLU 101 59.953 61.886 79.508 787 2HB GLU 101 1HB GLU 101 58.627 60.659 79.651 788 1HG GLU 101 2HG GLU 101 60.050 59.075 80.742 789 2HG GLU 101 1HG GLU 101 61.527 60.228 80.574 790 H LYS 102 H LYS 102 61.666 58.453 77.559 791 HA LYS 102 HA LYS 102 61.633 56.028 78.461 792 1HB LYS 102 2HB LYS 102 59.177 55.933 79.074 793 2HB LYS 102 1HB LYS 102 58.802 56.232 77.280 794 1HG LYS 102 2HG LYS 102 60.758 54.001 77.753 795 2HG LYS 102 1HG LYS 102 59.093 53.736 78.439 796 1HD LYS 102 2HD LYS 102 58.154 54.578 76.172 797 2HD LYS 102 1HD LYS 102 59.808 54.372 75.531 798 1HE LYS 102 2HE LYS 102 58.409 52.334 75.164 799 2HE LYS 102 1HE LYS 102 59.834 52.027 76.247 800 1HZ LYS 102 2HZ LYS 102 57.219 52.781 77.382 801 2HZ LYS 102 1HZ LYS 102 57.364 51.195 76.870 802 3HZ LYS 102 3HZ LYS 102 58.345 51.835 78.072 803 H GLU 103 H GLU 103 60.151 57.660 75.839 804 HA GLU 103 HA GLU 103 61.845 56.291 73.794 805 1HB GLU 103 2HB GLU 103 59.651 56.181 72.333 806 2HB GLU 103 1HB GLU 103 59.842 54.961 73.677 807 1HG GLU 103 2HG GLU 103 57.832 55.492 74.358 808 2HG GLU 103 1HG GLU 103 58.513 57.132 74.917 809 H ASN 104 H ASN 104 61.928 57.128 71.883 810 HA ASN 104 HA ASN 104 61.272 60.052 71.766 811 1HB ASN 104 2HB ASN 104 63.625 58.160 70.958 812 2HB ASN 104 1HB ASN 104 63.459 59.752 70.022 813 1HD2 ASN 104 1HD2 ASN 104 64.498 59.603 73.987 814 2HD2 ASN 104 2HD2 ASN 104 63.636 58.215 73.090 815 H ARG 105 H ARG 105 59.671 60.402 70.300 816 HA ARG 105 HA ARG 105 59.434 58.397 68.109 817 1HB ARG 105 2HB ARG 105 57.012 60.069 69.179 818 2HB ARG 105 1HB ARG 105 57.062 58.832 67.913 819 1HG ARG 105 2HG ARG 105 58.232 58.005 70.535 820 2HG ARG 105 1HG ARG 105 56.386 58.293 70.448 821 1HD ARG 105 2HD ARG 105 56.629 56.936 68.167 822 2HD ARG 105 1HD ARG 105 58.109 56.242 68.925 823 HE ARG 105 HE ARG 105 56.771 55.071 70.452 824 1HH1 ARG 105 2HH2 ARG 105 54.934 57.697 68.899 825 2HH1 ARG 105 1HH2 ARG 105 53.379 57.305 69.549 826 1HH2 ARG 105 2HH1 ARG 105 54.648 54.444 71.400 827 2HH2 ARG 105 1HH1 ARG 105 53.262 55.451 70.964 828 H GLY 106 H GLY 106 60.862 60.767 68.747 829 1HA GLY 106 1HA GLY 106 60.267 63.051 67.163 830 2HA GLY 106 2HA GLY 106 61.936 62.420 67.418 831 H TRP 107 H TRP 107 59.166 62.516 65.434 832 HA TRP 107 HA TRP 107 60.666 61.296 63.241 833 1HB TRP 107 2HB TRP 107 58.851 60.272 62.339 834 2HB TRP 107 1HB TRP 107 58.058 60.445 63.972 835 HD1 TRP 107 HD1 TRP 107 58.258 61.992 60.389 836 HE1 TRP 107 HE1 TRP 107 56.446 63.851 60.084 837 HE3 TRP 107 HE3 TRP 107 56.767 62.074 65.132 838 HZ2 TRP 107 HZ2 TRP 107 54.805 65.023 61.701 839 HZ3 TRP 107 HZ3 TRP 107 54.940 63.660 65.775 840 HH2 TRP 107 HH2 TRP 107 54.006 65.105 63.986 841 H LYS 108 H LYS 108 60.728 62.052 61.374 842 HA LYS 108 HA LYS 108 59.648 64.684 60.704 843 1HB LYS 108 2HB LYS 108 62.207 65.379 60.145 844 2HB LYS 108 1HB LYS 108 61.506 65.681 61.841 845 1HG LYS 108 2HG LYS 108 62.399 63.406 62.558 846 2HG LYS 108 1HG LYS 108 63.269 63.354 60.965 847 1HD LYS 108 2HD LYS 108 64.859 64.227 62.723 848 2HD LYS 108 1HD LYS 108 64.375 65.614 61.705 849 1HE LYS 108 2HE LYS 108 63.200 66.508 63.486 850 2HE LYS 108 1HE LYS 108 62.568 64.859 64.051 851 1HZ LYS 108 3HZ LYS 108 65.391 65.566 64.450 852 2HZ LYS 108 2HZ LYS 108 64.202 66.103 65.520 853 3HZ LYS 108 1HZ LYS 108 64.423 64.477 65.263 854 H GLN 109 H GLN 109 60.720 65.681 58.666 855 HA GLN 109 HA GLN 109 61.205 63.354 56.730 856 1HB GLN 109 2HB GLN 109 60.263 65.972 55.644 857 2HB GLN 109 1HB GLN 109 59.530 64.341 55.280 858 1HG GLN 109 2HG GLN 109 58.975 65.988 57.847 859 2HG GLN 109 1HG GLN 109 57.979 65.966 56.293 860 1HE2 GLN 109 1HE2 GLN 109 57.619 62.983 58.905 861 2HE2 GLN 109 2HE2 GLN 109 58.626 64.572 59.141 862 H TRP 110 H TRP 110 62.322 64.499 54.622 863 HA TRP 110 HA TRP 110 64.125 66.684 55.791 864 1HB TRP 110 2HB TRP 110 65.111 64.585 53.872 865 2HB TRP 110 1HB TRP 110 66.032 65.672 55.062 866 HD1 TRP 110 HD1 TRP 110 65.103 62.354 54.544 867 HE1 TRP 110 HE1 TRP 110 65.201 60.918 56.771 868 HE3 TRP 110 HE3 TRP 110 65.201 66.150 57.619 869 HZ2 TRP 110 HZ2 TRP 110 65.319 61.665 59.407 870 HZ3 TRP 110 HZ3 TRP 110 65.333 65.881 60.094 871 HH2 TRP 110 HH2 TRP 110 65.385 63.603 60.926 872 H VAL 111 H VAL 111 63.408 64.821 52.909 873 HA VAL 111 HA VAL 111 62.751 65.385 50.776 874 HB VAL 111 HB VAL 111 63.468 68.343 51.350 875 1HG1 VAL 111 2HG1 VAL 111 61.627 66.944 49.348 876 2HG1 VAL 111 1HG1 VAL 111 61.799 68.767 49.580 877 3HG1 VAL 111 3HG1 VAL 111 63.169 67.782 49.011 878 1HG2 VAL 111 1HG2 VAL 111 61.336 66.911 52.756 879 2HG2 VAL 111 3HG2 VAL 111 61.615 68.726 52.510 880 3HG2 VAL 111 2HG2 VAL 111 60.592 67.769 51.333 881 H GLU 112 H GLU 112 64.736 64.174 51.289 882 HA GLU 112 HA GLU 112 67.254 65.319 50.639 883 1HB GLU 112 2HB GLU 112 66.105 62.927 51.743 884 2HB GLU 112 1HB GLU 112 67.368 62.441 50.599 885 1HG GLU 112 2HG GLU 112 67.616 64.726 52.681 886 2HG GLU 112 1HG GLU 112 68.109 62.913 53.016 887 H GLY 113 H GLY 113 66.454 66.207 48.600 888 1HA GLY 113 1HA GLY 113 67.114 66.318 46.324 889 2HA GLY 113 2HA GLY 113 67.502 64.538 46.369 890 H ASP 114 H ASP 114 65.953 63.154 46.031 891 HA ASP 114 HA ASP 114 63.692 64.141 44.246 892 1HB ASP 114 2HB ASP 114 65.338 61.474 44.559 893 2HB ASP 114 1HB ASP 114 63.774 61.515 43.594 894 H LYS 115 H LYS 115 64.163 62.334 47.194 895 HA LYS 115 HA LYS 115 61.144 61.978 47.263 896 1HB LYS 115 2HB LYS 115 61.462 59.746 48.299 897 2HB LYS 115 1HB LYS 115 62.344 59.852 46.722 898 1HG LYS 115 2HG LYS 115 64.348 60.753 48.456 899 2HG LYS 115 1HG LYS 115 63.474 59.446 49.387 900 1HD LYS 115 2HD LYS 115 64.771 57.980 48.049 901 2HD LYS 115 1HD LYS 115 63.700 58.439 46.707 902 1HE LYS 115 2HE LYS 115 65.082 60.288 46.022 903 2HE LYS 115 1HE LYS 115 66.048 60.191 47.525 904 1HZ LYS 115 2HZ LYS 115 66.016 58.021 45.452 905 2HZ LYS 115 1HZ LYS 115 67.267 59.154 45.707 906 3HZ LYS 115 3HZ LYS 115 66.910 58.040 46.868 907 H LEU 116 H LEU 116 60.922 60.909 49.771 908 HA LEU 116 HA LEU 116 62.558 62.710 51.450 909 1HB LEU 116 2HB LEU 116 61.087 64.194 52.183 910 2HB LEU 116 1HB LEU 116 60.359 63.973 50.549 911 HG LEU 116 HG LEU 116 59.399 62.725 53.178 912 1HD1 LEU 116 1HD1 LEU 116 58.339 64.986 51.297 913 2HD1 LEU 116 3HD1 LEU 116 57.257 64.101 52.363 914 3HD1 LEU 116 2HD1 LEU 116 58.705 65.026 53.064 915 1HD2 LEU 116 3HD2 LEU 116 59.098 61.837 50.406 916 2HD2 LEU 116 2HD2 LEU 116 58.310 61.086 51.831 917 3HD2 LEU 116 1HD2 LEU 116 57.502 62.490 50.959 918 H TYR 117 H TYR 117 63.479 61.263 52.414 919 HA TYR 117 HA TYR 117 62.173 58.882 53.322 920 1HB TYR 117 2HB TYR 117 64.697 60.445 54.287 921 2HB TYR 117 1HB TYR 117 64.219 58.848 55.001 922 HD1 TYR 117 HD1 TYR 117 63.399 57.219 52.604 923 HD2 TYR 117 HD2 TYR 117 66.508 60.192 52.854 924 HE1 TYR 117 HE1 TYR 117 64.606 56.204 50.665 925 HE2 TYR 117 HE2 TYR 117 67.650 59.224 51.021 926 HH TYR 117 HH TYR 117 67.735 56.876 49.791 927 H LEU 118 H LEU 118 60.892 58.439 54.772 928 HA LEU 118 HA LEU 118 60.304 60.554 56.839 929 1HB LEU 118 2HB LEU 118 58.805 57.945 55.947 930 2HB LEU 118 1HB LEU 118 58.216 59.091 57.252 931 HG LEU 118 HG LEU 118 58.065 59.469 54.205 932 1HD1 LEU 118 1HD1 LEU 118 56.494 59.821 56.737 933 2HD1 LEU 118 3HD1 LEU 118 56.160 60.979 55.424 934 3HD1 LEU 118 2HD1 LEU 118 55.941 59.186 55.171 935 1HD2 LEU 118 1HD2 LEU 118 58.748 61.610 56.354 936 2HD2 LEU 118 3HD2 LEU 118 59.641 61.337 54.850 937 3HD2 LEU 118 2HD2 LEU 118 57.900 61.958 54.746 938 H GLU 119 H GLU 119 62.275 60.157 57.657 939 HA GLU 119 HA GLU 119 62.976 57.748 59.147 940 1HB GLU 119 2HB GLU 119 64.166 60.399 58.482 941 2HB GLU 119 1HB GLU 119 64.437 59.846 60.183 942 1HG GLU 119 2HG GLU 119 65.036 57.543 59.207 943 2HG GLU 119 1HG GLU 119 65.040 58.331 57.542 944 H LEU 120 H LEU 120 61.358 57.189 60.457 945 HA LEU 120 HA LEU 120 60.656 59.222 62.531 946 1HB LEU 120 2HB LEU 120 58.677 58.342 62.866 947 2HB LEU 120 1HB LEU 120 58.982 57.758 61.129 948 HG LEU 120 HG LEU 120 60.060 55.682 62.538 949 1HD1 LEU 120 1HD1 LEU 120 58.735 57.140 64.577 950 2HD1 LEU 120 3HD1 LEU 120 57.437 55.954 64.075 951 3HD1 LEU 120 2HD1 LEU 120 59.032 55.314 64.604 952 1HD2 LEU 120 2HD2 LEU 120 57.456 56.203 61.189 953 2HD2 LEU 120 1HD2 LEU 120 58.570 54.791 61.058 954 3HD2 LEU 120 3HD2 LEU 120 57.369 54.852 62.381 955 H THR 121 H THR 121 60.561 58.466 64.786 956 HA THR 121 HA THR 121 62.605 56.285 65.273 957 HB THR 121 HB THR 121 62.141 58.882 66.926 958 HG1 THR 121 1HG THR 121 62.651 59.319 64.838 959 1HG2 THR 121 1HG2 THR 121 64.050 56.511 66.989 960 2HG2 THR 121 3HG2 THR 121 64.914 58.127 67.153 961 3HG2 THR 121 2HG2 THR 121 63.622 57.651 68.308 962 H CYS 122 H CYS 122 62.495 55.454 67.663 963 HA CYS 122 HA CYS 122 59.969 55.901 68.981 964 1HB CYS 122 2HB CYS 122 59.419 54.367 66.817 965 2HB CYS 122 1HB CYS 122 60.319 53.073 67.608 966 HG CYS 122 HG CYS 122 57.646 52.846 67.757 967 H GLY 123 H GLY 123 62.323 56.207 69.840 968 1HA GLY 123 1HA GLY 123 63.117 55.660 72.107 969 2HA GLY 123 2HA GLY 123 62.594 53.978 71.835 970 H ASP 124 H ASP 124 63.918 55.235 69.080 971 HA ASP 124 HA ASP 124 66.047 55.529 68.162 972 1HB ASP 124 2HB ASP 124 66.953 55.181 70.639 973 2HB ASP 124 1HB ASP 124 67.330 53.481 70.038 974 H GLN 125 H GLN 125 63.854 53.617 67.877 975 HA GLN 125 HA GLN 125 65.428 51.196 67.047 976 1HB GLN 125 2HB GLN 125 62.521 51.781 67.342 977 2HB GLN 125 1HB GLN 125 62.902 50.928 65.782 978 1HG GLN 125 2HG GLN 125 63.606 49.935 68.567 979 2HG GLN 125 1HG GLN 125 62.379 49.258 67.386 980 1HE2 GLN 125 1HE2 GLN 125 64.780 48.068 65.038 981 2HE2 GLN 125 2HE2 GLN 125 63.056 48.785 65.281 982 H VAL 126 H VAL 126 64.362 54.158 66.132 983 HA VAL 126 HA VAL 126 64.082 55.419 64.253 984 HB VAL 126 HB VAL 126 66.468 55.078 62.801 985 1HG1 VAL 126 3HG1 VAL 126 65.862 56.206 65.599 986 2HG1 VAL 126 2HG1 VAL 126 67.544 56.373 64.813 987 3HG1 VAL 126 1HG1 VAL 126 66.048 57.113 64.057 988 1HG2 VAL 126 3HG2 VAL 126 67.001 53.706 65.529 989 2HG2 VAL 126 2HG2 VAL 126 67.054 52.955 63.886 990 3HG2 VAL 126 1HG2 VAL 126 68.247 54.243 64.358 991 H CYS 127 H CYS 127 62.385 54.301 63.103 992 HA CYS 127 HA CYS 127 62.888 52.120 61.311 993 1HB CYS 127 2HB CYS 127 60.830 54.525 61.099 994 2HB CYS 127 1HB CYS 127 60.726 52.957 60.223 995 HG CYS 127 HG CYS 127 59.562 53.860 62.924 996 H ARG 128 H ARG 128 63.104 52.134 59.054 997 HA ARG 128 HA ARG 128 64.289 54.818 58.068 998 1HB ARG 128 2HB ARG 128 65.586 52.360 58.761 999 2HB ARG 128 1HB ARG 128 65.734 52.549 56.954 1000 1HG ARG 128 2HG ARG 128 66.236 55.086 58.397 1001 2HG ARG 128 1HG ARG 128 67.501 53.847 58.659 1002 1HD ARG 128 2HD ARG 128 67.365 53.462 56.028 1003 2HD ARG 128 1HD ARG 128 66.447 55.040 56.022 1004 HE ARG 128 HE ARG 128 68.364 56.160 56.384 1005 1HH1 ARG 128 1HH1 ARG 128 69.058 52.665 57.219 1006 2HH1 ARG 128 2HH1 ARG 128 70.788 53.024 57.398 1007 1HH2 ARG 128 2HH2 ARG 128 70.652 56.386 56.664 1008 2HH2 ARG 128 1HH2 ARG 128 71.675 55.025 57.110 1009 H GLN 129 H GLN 129 61.998 54.828 57.338 1010 HA GLN 129 HA GLN 129 61.321 52.955 55.217 1011 1HB GLN 129 2HB GLN 129 60.348 55.871 55.384 1012 2HB GLN 129 1HB GLN 129 59.496 54.465 54.545 1013 1HG GLN 129 2HG GLN 129 59.913 53.366 56.980 1014 2HG GLN 129 1HG GLN 129 59.648 55.124 57.498 1015 1HE2 GLN 129 2HE2 GLN 129 56.313 55.350 56.222 1016 2HE2 GLN 129 1HE2 GLN 129 57.799 56.246 56.526 1017 H VAL 130 H VAL 130 60.823 53.694 52.798 1018 HA VAL 130 HA VAL 130 63.198 55.223 51.826 1019 HB VAL 130 HB VAL 130 62.322 52.512 50.565 1020 1HG1 VAL 130 1HG1 VAL 130 63.637 54.547 49.343 1021 2HG1 VAL 130 3HG1 VAL 130 64.993 53.938 50.299 1022 3HG1 VAL 130 2HG1 VAL 130 64.097 52.813 49.128 1023 1HG2 VAL 130 2HG2 VAL 130 64.371 52.991 52.747 1024 2HG2 VAL 130 1HG2 VAL 130 63.422 51.535 52.355 1025 3HG2 VAL 130 3HG2 VAL 130 64.884 52.020 51.353 1026 H PHE 131 H PHE 131 62.180 56.765 51.118 1027 HA PHE 131 HA PHE 131 59.562 56.365 49.642 1028 1HB PHE 131 2HB PHE 131 61.019 58.649 51.085 1029 2HB PHE 131 1HB PHE 131 59.808 59.007 49.720 1030 HD1 PHE 131 HD1 PHE 131 60.201 56.748 52.696 1031 HD2 PHE 131 HD2 PHE 131 57.608 59.227 50.350 1032 HE1 PHE 131 HE1 PHE 131 58.273 56.237 54.296 1033 HE2 PHE 131 HE2 PHE 131 55.792 58.709 51.904 1034 HZ PHE 131 HZ PHE 131 56.155 57.211 53.876 1035 H LYS 132 H LYS 132 58.912 57.653 47.984 1036 HA LYS 132 HA LYS 132 61.057 58.530 46.041 1037 1HB LYS 132 2HB LYS 132 60.057 55.943 45.909 1038 2HB LYS 132 1HB LYS 132 58.555 56.771 45.466 1039 1HG LYS 132 2HG LYS 132 61.198 57.469 44.084 1040 2HG LYS 132 1HG LYS 132 60.189 56.039 43.456 1041 1HD LYS 132 2HD LYS 132 58.462 58.326 43.809 1042 2HD LYS 132 1HD LYS 132 59.922 58.845 42.784 1043 1HE LYS 132 2HE LYS 132 58.098 58.103 41.361 1044 2HE LYS 132 1HE LYS 132 59.431 56.843 41.368 1045 1HZ LYS 132 2HZ LYS 132 58.133 55.644 42.945 1046 2HZ LYS 132 1HZ LYS 132 56.898 56.784 42.875 1047 3HZ LYS 132 3HZ LYS 132 57.247 55.857 41.533 1048 H LYS 133 H LYS 133 60.336 60.323 45.291 1049 HA LYS 133 HA LYS 133 57.632 61.392 46.069 1050 1HB LYS 133 2HB LYS 133 59.403 63.064 45.729 1051 2HB LYS 133 1HB LYS 133 59.751 62.304 44.085 1052 1HG LYS 133 2HG LYS 133 57.409 63.001 43.403 1053 2HG LYS 133 1HG LYS 133 57.150 63.639 45.128 1054 1HD LYS 133 2HD LYS 133 59.368 65.097 44.285 1055 2HD LYS 133 1HD LYS 133 58.340 64.926 42.784 1056 1HE LYS 133 2HE LYS 133 57.411 65.778 45.558 1057 2HE LYS 133 1HE LYS 133 57.582 66.782 43.984 1058 1HZ LYS 133 3HZ LYS 133 56.075 64.950 43.006 1059 2HZ LYS 133 2HZ LYS 133 55.528 64.717 44.586 1060 3HZ LYS 133 1HZ LYS 133 55.406 66.188 43.826 1061 H LYS 134 H LYS 134 55.896 60.873 45.344 1062 HA LYS 134 HA LYS 134 54.207 59.948 43.851 1063 1HB LYS 134 2HB LYS 134 55.012 62.282 42.910 1064 2HB LYS 134 1HB LYS 134 56.000 61.384 41.735 1065 1HG LYS 134 2HG LYS 134 54.051 60.822 40.484 1066 2HG LYS 134 1HG LYS 134 53.022 60.555 41.936 1067 1HD LYS 134 2HD LYS 134 52.523 62.591 40.423 1068 2HD LYS 134 1HD LYS 134 52.710 62.954 42.202 1069 1HE LYS 134 2HE LYS 134 54.553 64.170 41.911 1070 2HE LYS 134 1HE LYS 134 55.284 63.002 40.658 1071 1HZ LYS 134 3HZ LYS 134 53.448 63.976 39.192 1072 2HZ LYS 134 2HZ LYS 134 53.419 65.269 40.220 1073 3HZ LYS 134 1HZ LYS 134 54.836 64.850 39.407 No H/Q in entry = 1073 Start of MODEL 9 1 1H MET 1 2H MET 1 61.317 73.761 45.289 2 2H MET 1 1H MET 1 60.794 72.474 44.421 3 3H MET 1 3H MET 1 60.698 72.382 46.069 4 HA MET 1 HA MET 1 62.529 71.041 45.760 5 1HB MET 1 2HB MET 1 64.522 72.155 44.316 6 2HB MET 1 1HB MET 1 63.130 71.312 43.495 7 1HG MET 1 2HG MET 1 61.952 73.547 43.262 8 2HG MET 1 1HG MET 1 63.320 74.389 43.915 9 1HE MET 1 1HE MET 1 63.755 75.837 42.304 10 2HE MET 1 3HE MET 1 64.502 75.524 40.662 11 3HE MET 1 2HE MET 1 62.800 75.439 40.808 12 H THR 2 H THR 2 61.797 72.402 47.768 13 HA THR 2 HA THR 2 64.421 73.144 48.878 14 HB THR 2 HB THR 2 62.120 75.231 48.840 15 HG1 THR 2 1HG THR 2 63.025 76.245 47.364 16 1HG2 THR 2 2HG2 THR 2 64.058 75.014 50.803 17 2HG2 THR 2 1HG2 THR 2 65.116 75.743 49.559 18 3HG2 THR 2 3HG2 THR 2 63.676 76.654 50.127 19 H LYS 3 H LYS 3 60.851 73.570 49.167 20 HA LYS 3 HA LYS 3 61.202 72.452 51.979 21 1HB LYS 3 2HB LYS 3 60.211 74.908 51.267 22 2HB LYS 3 1HB LYS 3 58.673 73.981 51.212 23 1HG LYS 3 2HG LYS 3 58.745 74.600 53.477 24 2HG LYS 3 1HG LYS 3 59.422 72.950 53.510 25 1HD LYS 3 2HD LYS 3 61.303 73.760 54.498 26 2HD LYS 3 1HD LYS 3 61.662 74.640 52.950 27 1HE LYS 3 2HE LYS 3 59.685 75.682 55.018 28 2HE LYS 3 1HE LYS 3 61.484 76.045 55.139 29 1HZ LYS 3 1HZ LYS 3 60.552 76.420 52.449 30 2HZ LYS 3 3HZ LYS 3 59.649 77.405 53.441 31 3HZ LYS 3 2HZ LYS 3 61.315 77.495 53.389 32 H ASP 4 H ASP 4 59.552 71.140 52.852 33 HA ASP 4 HA ASP 4 58.592 69.252 50.793 34 1HB ASP 4 2HB ASP 4 56.901 68.772 53.058 35 2HB ASP 4 1HB ASP 4 58.436 67.851 52.606 36 H GLN 5 H GLN 5 56.600 69.209 49.804 37 HA GLN 5 HA GLN 5 54.237 70.427 50.576 38 1HB GLN 5 2HB GLN 5 54.558 72.696 49.907 39 2HB GLN 5 1HB GLN 5 56.353 72.301 49.569 40 1HG GLN 5 2HG GLN 5 54.147 71.701 47.539 41 2HG GLN 5 1HG GLN 5 55.032 73.317 47.716 42 1HE2 GLN 5 2HE2 GLN 5 57.959 70.705 47.124 43 2HE2 GLN 5 1HE2 GLN 5 57.070 70.668 48.628 44 H ASN 6 H ASN 6 52.752 70.327 49.121 45 HA ASN 6 HA ASN 6 51.498 68.767 48.013 46 1HB ASN 6 2HB ASN 6 53.114 70.402 45.945 47 2HB ASN 6 1HB ASN 6 51.883 69.140 45.399 48 1HD2 ASN 6 1HD2 ASN 6 50.471 72.395 47.376 49 2HD2 ASN 6 2HD2 ASN 6 52.252 71.778 47.550 50 H GLY 7 H GLY 7 51.615 66.635 48.023 51 1HA GLY 7 1HA GLY 7 52.802 65.253 45.799 52 2HA GLY 7 2HA GLY 7 53.898 65.175 47.208 53 H THR 8 H THR 8 52.416 63.224 45.688 54 HA THR 8 HA THR 8 50.945 61.917 47.915 55 HB THR 8 HB THR 8 49.378 60.750 46.251 56 HG1 THR 8 1HG THR 8 50.240 62.668 44.359 57 1HG2 THR 8 1HG2 THR 8 49.782 63.818 46.558 58 2HG2 THR 8 3HG2 THR 8 48.660 63.269 45.276 59 3HG2 THR 8 2HG2 THR 8 48.358 62.784 47.012 60 H TRP 9 H TRP 9 53.027 61.630 48.195 61 HA TRP 9 HA TRP 9 54.576 59.874 46.481 62 1HB TRP 9 2HB TRP 9 55.272 59.667 49.338 63 2HB TRP 9 1HB TRP 9 56.326 59.987 47.869 64 HD1 TRP 9 HD1 TRP 9 53.815 62.067 49.961 65 HE1 TRP 9 HE1 TRP 9 54.513 64.508 50.206 66 HE3 TRP 9 HE3 TRP 9 57.791 61.646 47.237 67 HZ2 TRP 9 HZ2 TRP 9 56.638 65.932 49.217 68 HZ3 TRP 9 HZ3 TRP 9 59.249 63.655 46.833 69 HH2 TRP 9 HH2 TRP 9 58.659 65.700 47.796 70 H GLU 10 H GLU 10 54.539 57.675 46.139 71 HA GLU 10 HA GLU 10 52.346 56.189 47.347 72 1HB GLU 10 2HB GLU 10 54.659 55.551 45.419 73 2HB GLU 10 1HB GLU 10 53.531 54.269 46.050 74 1HG GLU 10 2HG GLU 10 51.690 56.122 45.342 75 2HG GLU 10 1HG GLU 10 53.066 56.471 44.145 76 H MET 11 H MET 11 55.602 56.685 48.308 77 HA MET 11 HA MET 11 56.986 55.554 49.913 78 1HB MET 11 2HB MET 11 54.785 56.080 51.274 79 2HB MET 11 1HB MET 11 54.217 54.432 50.734 80 1HG MET 11 2HG MET 11 56.307 53.393 51.890 81 2HG MET 11 1HG MET 11 56.728 55.018 52.341 82 1HE MET 11 2HE MET 11 54.627 56.509 53.165 83 2HE MET 11 1HE MET 11 53.015 55.753 53.685 84 3HE MET 11 3HE MET 11 54.265 56.199 54.856 85 H GLU 12 H GLU 12 57.612 54.440 47.942 86 HA GLU 12 HA GLU 12 56.748 51.996 46.840 87 1HB GLU 12 2HB GLU 12 59.654 52.956 47.289 88 2HB GLU 12 1HB GLU 12 59.163 51.531 46.293 89 1HG GLU 12 2HG GLU 12 57.844 52.993 44.753 90 2HG GLU 12 1HG GLU 12 58.327 54.440 45.896 91 H SER 13 H SER 13 59.036 52.578 49.496 92 HA SER 13 HA SER 13 58.221 49.904 50.680 93 1HB SER 13 2HB SER 13 60.975 49.997 51.229 94 2HB SER 13 1HB SER 13 60.180 48.989 49.840 95 HG SER 13 HG SER 13 61.965 50.446 49.364 96 H ASN 14 H ASN 14 58.689 49.576 52.644 97 HA ASN 14 HA ASN 14 59.665 51.854 54.351 98 1HB ASN 14 2HB ASN 14 57.653 52.095 55.443 99 2HB ASN 14 1HB ASN 14 56.938 51.158 54.040 100 1HD2 ASN 14 2HD2 ASN 14 57.342 49.613 57.802 101 2HD2 ASN 14 1HD2 ASN 14 57.816 51.334 57.267 102 H GLU 15 H GLU 15 60.656 51.444 56.089 103 HA GLU 15 HA GLU 15 61.733 48.717 56.085 104 1HB GLU 15 2HB GLU 15 62.415 51.416 57.094 105 2HB GLU 15 1HB GLU 15 62.753 50.296 58.438 106 1HG GLU 15 2HG GLU 15 63.908 48.725 56.923 107 2HG GLU 15 1HG GLU 15 63.806 50.020 55.555 108 H ASN 16 H ASN 16 62.356 48.140 58.693 109 HA ASN 16 HA ASN 16 60.544 46.409 59.647 110 1HB ASN 16 2HB ASN 16 61.309 47.183 62.072 111 2HB ASN 16 1HB ASN 16 62.597 46.541 60.868 112 1HD2 ASN 16 1HD2 ASN 16 63.111 50.148 62.371 113 2HD2 ASN 16 2HD2 ASN 16 61.943 48.819 63.092 114 H PHE 17 H PHE 17 58.549 46.568 59.567 115 HA PHE 17 HA PHE 17 57.212 48.898 60.992 116 1HB PHE 17 2HB PHE 17 55.057 47.598 60.025 117 2HB PHE 17 1HB PHE 17 56.100 48.664 59.006 118 HD1 PHE 17 HD1 PHE 17 57.566 47.588 57.266 119 HD2 PHE 17 HD2 PHE 17 55.180 45.174 59.854 120 HE1 PHE 17 HE1 PHE 17 57.962 45.653 55.875 121 HE2 PHE 17 HE2 PHE 17 55.558 43.197 58.481 122 HZ PHE 17 HZ PHE 17 56.965 43.371 56.434 123 H GLU 18 H GLU 18 57.902 45.526 61.163 124 HA GLU 18 HA GLU 18 55.894 44.969 63.286 125 1HB GLU 18 2HB GLU 18 56.980 43.097 61.790 126 2HB GLU 18 1HB GLU 18 58.562 43.636 62.471 127 1HG GLU 18 2HG GLU 18 57.949 42.974 64.737 128 2HG GLU 18 1HG GLU 18 56.275 42.406 64.084 129 H GLY 19 H GLY 19 59.402 45.830 63.218 130 1HA GLY 19 1HA GLY 19 59.339 45.403 66.154 131 2HA GLY 19 2HA GLY 19 60.790 46.060 65.273 132 H TYR 20 H TYR 20 58.685 47.991 63.831 133 HA TYR 20 HA TYR 20 59.045 50.162 65.751 134 1HB TYR 20 2HB TYR 20 58.822 50.870 63.417 135 2HB TYR 20 1HB TYR 20 57.568 49.573 63.102 136 HD1 TYR 20 HD2 TYR 20 58.256 52.858 64.424 137 HD2 TYR 20 HD1 TYR 20 55.360 49.928 63.471 138 HE1 TYR 20 HE2 TYR 20 56.520 54.622 64.654 139 HE2 TYR 20 HE1 TYR 20 53.487 51.699 63.678 140 HH TYR 20 HH TYR 20 54.250 54.861 64.952 141 H MET 21 H MET 21 56.638 47.722 65.044 142 HA MET 21 HA MET 21 54.394 48.980 66.430 143 1HB MET 21 2HB MET 21 54.541 47.025 64.605 144 2HB MET 21 1HB MET 21 55.092 46.012 65.952 145 1HG MET 21 2HG MET 21 52.955 46.525 67.206 146 2HG MET 21 1HG MET 21 52.396 47.524 65.865 147 1HE MET 21 1HE MET 21 51.329 46.651 63.731 148 2HE MET 21 3HE MET 21 50.334 45.158 63.893 149 3HE MET 21 2HE MET 21 50.237 46.314 65.145 150 H LYS 22 H LYS 22 57.034 46.971 67.131 151 HA LYS 22 HA LYS 22 56.231 46.280 69.841 152 1HB LYS 22 2HB LYS 22 58.797 45.857 68.099 153 2HB LYS 22 1HB LYS 22 58.729 45.421 69.851 154 1HG LYS 22 2HG LYS 22 56.352 44.372 69.025 155 2HG LYS 22 1HG LYS 22 57.253 44.333 67.458 156 1HD LYS 22 2HD LYS 22 58.323 43.228 70.202 157 2HD LYS 22 1HD LYS 22 57.727 42.184 68.840 158 1HE LYS 22 2HE LYS 22 59.504 43.689 67.438 159 2HE LYS 22 1HE LYS 22 60.253 43.889 69.070 160 1HZ LYS 22 3HZ LYS 22 59.944 41.267 69.033 161 2HZ LYS 22 2HZ LYS 22 59.811 41.491 67.407 162 3HZ LYS 22 1HZ LYS 22 61.217 41.991 68.222 163 H ALA 23 H ALA 23 57.867 48.799 68.381 164 HA ALA 23 HA ALA 23 59.544 49.429 70.671 165 1HB ALA 23 1HB ALA 23 60.036 50.328 68.444 166 2HB ALA 23 3HB ALA 23 58.565 51.418 68.467 167 3HB ALA 23 2HB ALA 23 59.955 51.692 69.610 168 H LEU 24 H LEU 24 56.492 50.576 69.532 169 HA LEU 24 HA LEU 24 55.983 52.085 72.072 170 1HB LEU 24 2HB LEU 24 54.112 53.123 70.852 171 2HB LEU 24 1HB LEU 24 55.437 53.009 69.612 172 HG LEU 24 HG LEU 24 53.950 50.504 69.476 173 1HD1 LEU 24 2HD1 LEU 24 52.159 53.058 69.607 174 2HD1 LEU 24 1HD1 LEU 24 51.779 51.659 68.602 175 3HD1 LEU 24 3HD1 LEU 24 51.953 51.477 70.434 176 1HD2 LEU 24 1HD2 LEU 24 55.129 52.456 67.778 177 2HD2 LEU 24 3HD2 LEU 24 54.425 50.874 67.324 178 3HD2 LEU 24 2HD2 LEU 24 53.394 52.347 67.307 179 H ASP 25 H ASP 25 55.678 49.171 70.670 180 HA ASP 25 HA ASP 25 54.437 47.229 70.919 181 1HB ASP 25 2HB ASP 25 55.861 47.272 72.918 182 2HB ASP 25 1HB ASP 25 54.657 48.391 73.738 183 H ILE 26 H ILE 26 52.730 47.649 69.802 184 HA ILE 26 HA ILE 26 50.239 48.616 71.185 185 HB ILE 26 HB ILE 26 51.076 49.827 69.119 186 1HG1 ILE 26 2HG1 ILE 26 48.581 48.133 68.351 187 2HG1 ILE 26 1HG1 ILE 26 48.619 49.549 69.473 188 1HG2 ILE 26 2HG2 ILE 26 51.242 46.967 68.239 189 2HG2 ILE 26 1HG2 ILE 26 50.626 48.096 66.981 190 3HG2 ILE 26 3HG2 ILE 26 52.266 48.417 67.804 191 1HD1 ILE 26 3HD1 ILE 26 49.936 50.740 67.561 192 2HD1 ILE 26 2HD1 ILE 26 49.416 49.496 66.408 193 3HD1 ILE 26 1HD1 ILE 26 48.157 50.480 67.193 194 H ASP 27 H ASP 27 51.386 46.218 71.828 195 HA ASP 27 HA ASP 27 50.650 44.144 72.403 196 1HB ASP 27 2HB ASP 27 48.236 44.995 72.053 197 2HB ASP 27 1HB ASP 27 48.374 44.342 70.315 198 H PHE 28 H PHE 28 51.085 42.072 71.713 199 HA PHE 28 HA PHE 28 52.520 42.082 69.125 200 1HB PHE 28 2HB PHE 28 52.409 39.884 71.283 201 2HB PHE 28 1HB PHE 28 53.713 40.204 70.074 202 HD1 PHE 28 HD1 PHE 28 54.685 42.756 70.268 203 HD2 PHE 28 HD2 PHE 28 52.713 40.570 73.462 204 HE1 PHE 28 HE1 PHE 28 55.767 44.207 72.018 205 HE2 PHE 28 HE2 PHE 28 53.763 41.996 75.103 206 HZ PHE 28 HZ PHE 28 55.305 43.829 74.446 207 H ALA 29 H ALA 29 52.576 40.364 67.721 208 HA ALA 29 HA ALA 29 51.543 38.894 66.196 209 1HB ALA 29 1HB ALA 29 51.498 37.506 68.570 210 2HB ALA 29 3HB ALA 29 49.714 38.005 68.563 211 3HB ALA 29 2HB ALA 29 50.470 36.977 67.217 212 H THR 30 H THR 30 51.141 40.630 65.404 213 HA THR 30 HA THR 30 48.219 40.996 65.120 214 HB THR 30 HB THR 30 50.153 43.371 65.124 215 HG1 THR 30 1HG THR 30 50.342 42.855 67.104 216 1HG2 THR 30 3HG2 THR 30 47.522 43.285 64.418 217 2HG2 THR 30 2HG2 THR 30 47.210 43.189 66.230 218 3HG2 THR 30 1HG2 THR 30 48.097 44.623 65.517 219 H ARG 31 H ARG 31 51.226 42.258 63.916 220 HA ARG 31 HA ARG 31 50.425 42.785 61.194 221 1HB ARG 31 2HB ARG 31 52.510 43.698 60.898 222 2HB ARG 31 1HB ARG 31 52.154 44.025 62.640 223 1HG ARG 31 2HG ARG 31 54.196 42.005 61.441 224 2HG ARG 31 1HG ARG 31 54.441 43.384 62.559 225 1HD ARG 31 2HD ARG 31 53.459 42.044 64.382 226 2HD ARG 31 1HD ARG 31 52.638 40.893 63.230 227 HE ARG 31 HE ARG 31 55.403 40.881 62.735 228 1HH1 ARG 31 2HH2 ARG 31 53.000 39.825 65.118 229 2HH1 ARG 31 1HH2 ARG 31 53.883 38.391 65.690 230 1HH2 ARG 31 1HH1 ARG 31 56.618 39.019 63.448 231 2HH2 ARG 31 2HH1 ARG 31 55.964 37.962 64.719 232 H LYS 32 H LYS 32 52.976 42.006 59.973 233 HA LYS 32 HA LYS 32 54.047 40.251 59.064 234 1HB LYS 32 2HB LYS 32 53.979 38.182 59.984 235 2HB LYS 32 1HB LYS 32 52.973 39.041 61.180 236 1HG LYS 32 2HG LYS 32 50.909 37.929 60.361 237 2HG LYS 32 1HG LYS 32 51.534 37.733 58.728 238 1HD LYS 32 2HD LYS 32 53.427 36.229 59.637 239 2HD LYS 32 1HD LYS 32 52.456 36.127 61.107 240 1HE LYS 32 2HE LYS 32 51.651 35.287 58.237 241 2HE LYS 32 1HE LYS 32 51.442 34.315 59.763 242 1HZ LYS 32 1HZ LYS 32 49.936 36.165 60.536 243 2HZ LYS 32 3HZ LYS 32 49.867 36.589 58.910 244 3HZ LYS 32 2HZ LYS 32 49.364 35.077 59.389 245 H ILE 33 H ILE 33 51.039 41.493 58.785 246 HA ILE 33 HA ILE 33 50.977 40.589 55.992 247 HB ILE 33 HB ILE 33 48.240 40.339 56.475 248 1HG1 ILE 33 2HG1 ILE 33 47.802 39.061 58.468 249 2HG1 ILE 33 1HG1 ILE 33 49.576 39.133 58.971 250 1HG2 ILE 33 1HG2 ILE 33 49.846 38.656 55.439 251 2HG2 ILE 33 3HG2 ILE 33 50.317 38.073 57.074 252 3HG2 ILE 33 2HG2 ILE 33 48.619 37.884 56.543 253 1HD1 ILE 33 1HD1 ILE 33 48.031 41.812 58.482 254 2HD1 ILE 33 3HD1 ILE 33 47.602 40.803 59.907 255 3HD1 ILE 33 2HD1 ILE 33 49.302 41.400 59.726 256 H ALA 34 H ALA 34 51.691 42.954 57.301 257 HA ALA 34 HA ALA 34 49.652 44.907 56.189 258 1HB ALA 34 1HB ALA 34 49.578 44.575 58.895 259 2HB ALA 34 3HB ALA 34 51.152 45.512 58.747 260 3HB ALA 34 2HB ALA 34 49.641 46.227 58.173 261 H VAL 35 H VAL 35 52.004 43.657 55.235 262 HA VAL 35 HA VAL 35 54.405 45.158 55.581 263 HB VAL 35 HB VAL 35 53.067 43.877 53.120 264 1HG1 VAL 35 2HG1 VAL 35 55.813 45.313 53.404 265 2HG1 VAL 35 1HG1 VAL 35 55.583 43.975 52.180 266 3HG1 VAL 35 3HG1 VAL 35 54.605 45.510 52.124 267 1HG2 VAL 35 2HG2 VAL 35 55.405 43.120 55.017 268 2HG2 VAL 35 1HG2 VAL 35 53.818 42.222 54.799 269 3HG2 VAL 35 3HG2 VAL 35 55.006 42.249 53.446 270 H ARG 36 H ARG 36 51.562 45.615 53.852 271 HA ARG 36 HA ARG 36 51.199 48.352 53.774 272 1HB ARG 36 2HB ARG 36 53.163 49.059 52.603 273 2HB ARG 36 1HB ARG 36 53.175 47.474 51.649 274 1HG ARG 36 2HG ARG 36 51.485 48.309 50.155 275 2HG ARG 36 1HG ARG 36 50.877 49.491 51.422 276 1HD ARG 36 2HD ARG 36 51.988 50.727 49.692 277 2HD ARG 36 1HD ARG 36 52.943 50.878 51.170 278 HE ARG 36 HE ARG 36 54.720 49.774 50.206 279 1HH1 ARG 36 1HH1 ARG 36 51.829 48.950 48.271 280 2HH1 ARG 36 2HH1 ARG 36 52.794 48.139 47.047 281 1HH2 ARG 36 2HH2 ARG 36 55.912 48.661 48.555 282 2HH2 ARG 36 1HH2 ARG 36 54.984 47.942 47.201 283 H LEU 37 H LEU 37 49.424 48.814 53.059 284 HA LEU 37 HA LEU 37 48.359 47.154 50.739 285 1HB LEU 37 2HB LEU 37 46.050 47.715 52.146 286 2HB LEU 37 1HB LEU 37 46.946 46.138 52.345 287 HG LEU 37 HG LEU 37 47.389 48.614 54.105 288 1HD1 LEU 37 3HD1 LEU 37 45.209 46.771 53.934 289 2HD1 LEU 37 2HD1 LEU 37 46.180 46.340 55.411 290 3HD1 LEU 37 1HD1 LEU 37 45.492 48.014 55.193 291 1HD2 LEU 37 3HD2 LEU 37 48.715 46.061 53.478 292 2HD2 LEU 37 2HD2 LEU 37 49.212 47.251 54.737 293 3HD2 LEU 37 1HD2 LEU 37 48.061 45.882 55.185 294 H THR 38 H THR 38 49.071 48.724 49.562 295 HA THR 38 HA THR 38 48.902 50.367 48.133 296 HB THR 38 HB THR 38 46.307 50.650 49.720 297 HG1 THR 38 1HG THR 38 46.761 50.101 46.966 298 1HG2 THR 38 1HG2 THR 38 47.343 52.282 47.290 299 2HG2 THR 38 3HG2 THR 38 45.549 52.109 47.632 300 3HG2 THR 38 2HG2 THR 38 46.660 52.991 48.787 301 H GLN 39 H GLN 39 48.811 51.233 51.501 302 HA GLN 39 HA GLN 39 48.791 53.679 52.115 303 1HB GLN 39 2HB GLN 39 50.117 51.720 53.191 304 2HB GLN 39 1HB GLN 39 51.518 52.249 52.173 305 1HG GLN 39 2HG GLN 39 51.915 54.037 53.410 306 2HG GLN 39 1HG GLN 39 50.117 54.565 53.314 307 1HE2 GLN 39 1HE2 GLN 39 49.298 53.563 56.537 308 2HE2 GLN 39 2HE2 GLN 39 48.897 54.434 55.072 309 H THR 40 H THR 40 48.556 55.061 50.750 310 HA THR 40 HA THR 40 50.841 56.239 49.261 311 HB THR 40 HB THR 40 47.805 56.847 49.208 312 HG1 THR 40 1HG THR 40 48.832 55.028 47.896 313 1HG2 THR 40 3HG2 THR 40 50.187 58.467 48.499 314 2HG2 THR 40 2HG2 THR 40 49.188 58.136 47.028 315 3HG2 THR 40 1HG2 THR 40 48.453 58.939 48.450 316 H LYS 41 H LYS 41 52.028 57.372 50.475 317 HA LYS 41 HA LYS 41 50.668 58.904 52.654 318 1HB LYS 41 2HB LYS 41 52.980 58.133 53.194 319 2HB LYS 41 1HB LYS 41 53.549 58.805 51.587 320 1HG LYS 41 2HG LYS 41 52.238 60.668 53.594 321 2HG LYS 41 1HG LYS 41 53.862 60.038 54.067 322 1HD LYS 41 2HD LYS 41 54.348 60.730 51.411 323 2HD LYS 41 1HD LYS 41 53.068 61.956 51.815 324 1HE LYS 41 2HE LYS 41 55.369 61.474 53.723 325 2HE LYS 41 1HE LYS 41 55.547 62.619 52.319 326 1HZ LYS 41 3HZ LYS 41 53.278 63.514 53.394 327 2HZ LYS 41 2HZ LYS 41 53.798 62.666 54.734 328 3HZ LYS 41 1HZ LYS 41 54.712 63.914 54.118 329 H ILE 42 H ILE 42 49.976 60.951 52.650 330 HA ILE 42 HA ILE 42 50.803 62.510 50.152 331 HB ILE 42 HB ILE 42 48.144 62.860 51.676 332 1HG1 ILE 42 2HG1 ILE 42 48.354 61.492 48.987 333 2HG1 ILE 42 1HG1 ILE 42 48.686 60.502 50.447 334 1HG2 ILE 42 1HG2 ILE 42 49.274 63.821 48.974 335 2HG2 ILE 42 3HG2 ILE 42 47.521 63.737 49.304 336 3HG2 ILE 42 2HG2 ILE 42 48.588 64.791 50.308 337 1HD1 ILE 42 2HD1 ILE 42 46.575 61.360 51.557 338 2HD1 ILE 42 1HD1 ILE 42 46.230 62.265 50.063 339 3HD1 ILE 42 3HD1 ILE 42 46.181 60.442 50.012 340 H ILE 43 H ILE 43 50.808 64.753 50.272 341 HA ILE 43 HA ILE 43 51.292 65.848 53.067 342 HB ILE 43 HB ILE 43 53.226 64.831 51.651 343 1HG1 ILE 43 2HG1 ILE 43 53.228 66.581 53.647 344 2HG1 ILE 43 1HG1 ILE 43 54.763 66.151 52.781 345 1HG2 ILE 43 2HG2 ILE 43 52.789 67.594 50.201 346 2HG2 ILE 43 1HG2 ILE 43 54.333 66.656 50.130 347 3HG2 ILE 43 3HG2 ILE 43 52.792 65.890 49.495 348 1HD1 ILE 43 3HD1 ILE 43 52.930 68.593 52.081 349 2HD1 ILE 43 2HD1 ILE 43 54.347 68.685 53.149 350 3HD1 ILE 43 1HD1 ILE 43 54.591 68.187 51.425 351 H VAL 44 H VAL 44 50.888 67.921 53.256 352 HA VAL 44 HA VAL 44 50.120 69.609 50.877 353 HB VAL 44 HB VAL 44 48.225 68.850 53.190 354 1HG1 VAL 44 3HG1 VAL 44 48.436 71.206 51.395 355 2HG1 VAL 44 2HG1 VAL 44 46.878 70.353 51.158 356 3HG1 VAL 44 1HG1 VAL 44 47.325 70.993 52.809 357 1HG2 VAL 44 3HG2 VAL 44 48.333 67.149 51.346 358 2HG2 VAL 44 2HG2 VAL 44 46.754 67.970 51.448 359 3HG2 VAL 44 1HG2 VAL 44 47.882 68.446 50.120 360 H GLN 45 H GLN 45 51.984 70.628 51.577 361 HA GLN 45 HA GLN 45 51.909 72.123 54.159 362 1HB GLN 45 2HB GLN 45 53.752 70.504 53.443 363 2HB GLN 45 1HB GLN 45 54.167 71.632 52.064 364 1HG GLN 45 2HG GLN 45 55.386 72.916 53.432 365 2HG GLN 45 1HG GLN 45 53.923 73.138 54.558 366 1HE2 GLN 45 2HE2 GLN 45 56.480 69.939 55.185 367 2HE2 GLN 45 1HE2 GLN 45 55.856 70.396 53.454 368 H ASP 46 H ASP 46 51.238 73.951 54.268 369 HA ASP 46 HA ASP 46 52.063 75.798 52.091 370 1HB ASP 46 2HB ASP 46 50.029 74.943 51.202 371 2HB ASP 46 1HB ASP 46 49.160 74.999 52.811 372 H GLY 47 H GLY 47 53.033 77.281 53.157 373 1HA GLY 47 1HA GLY 47 53.577 78.857 54.849 374 2HA GLY 47 2HA GLY 47 51.954 79.509 54.301 375 H ASP 48 H ASP 48 53.793 78.113 56.705 376 HA ASP 48 HA ASP 48 53.469 78.115 59.072 377 1HB ASP 48 2HB ASP 48 51.897 80.123 58.499 378 2HB ASP 48 1HB ASP 48 50.511 78.884 58.681 379 H ASN 49 H ASN 49 50.437 77.158 57.506 380 HA ASN 49 HA ASN 49 50.103 74.828 59.350 381 1HB ASN 49 2HB ASN 49 48.248 76.532 57.892 382 2HB ASN 49 1HB ASN 49 48.154 74.862 57.142 383 1HD2 ASN 49 2HD2 ASN 49 46.784 75.608 60.920 384 2HD2 ASN 49 1HD2 ASN 49 47.791 76.845 59.904 385 H PHE 50 H PHE 50 50.946 73.025 58.927 386 HA PHE 50 HA PHE 50 51.211 72.030 56.109 387 1HB PHE 50 2HB PHE 50 53.350 72.451 56.846 388 2HB PHE 50 1HB PHE 50 53.084 71.737 58.505 389 HD1 PHE 50 HD2 PHE 50 52.138 70.531 55.155 390 HD2 PHE 50 HD1 PHE 50 54.267 69.841 58.777 391 HE1 PHE 50 HE2 PHE 50 52.612 68.252 54.302 392 HE2 PHE 50 HE1 PHE 50 54.793 67.460 57.951 393 HZ PHE 50 HZ PHE 50 53.945 66.784 55.758 394 H LYS 51 H LYS 51 49.999 70.360 55.596 395 HA LYS 51 HA LYS 51 49.743 68.367 57.833 396 1HB LYS 51 2HB LYS 51 47.388 68.620 55.924 397 2HB LYS 51 1HB LYS 51 47.452 68.103 57.653 398 1HG LYS 51 2HG LYS 51 46.918 70.221 58.364 399 2HG LYS 51 1HG LYS 51 48.185 71.009 57.364 400 1HD LYS 51 2HD LYS 51 46.575 70.456 55.387 401 2HD LYS 51 1HD LYS 51 45.345 70.127 56.741 402 1HE LYS 51 2HE LYS 51 46.274 72.490 57.619 403 2HE LYS 51 1HE LYS 51 46.503 72.765 55.804 404 1HZ LYS 51 3HZ LYS 51 44.017 71.561 56.661 405 2HZ LYS 51 2HZ LYS 51 44.230 73.184 57.155 406 3HZ LYS 51 1HZ LYS 51 44.258 72.728 55.534 407 H THR 52 H THR 52 49.331 66.367 57.403 408 HA THR 52 HA THR 52 49.744 65.486 54.498 409 HB THR 52 HB THR 52 51.608 65.430 56.775 410 HG1 THR 52 1HG THR 52 52.903 64.915 55.356 411 1HG2 THR 52 1HG2 THR 52 50.231 63.138 57.313 412 2HG2 THR 52 3HG2 THR 52 51.078 62.542 55.808 413 3HG2 THR 52 2HG2 THR 52 52.057 63.093 57.178 414 H LYS 53 H LYS 53 49.461 63.085 54.355 415 HA LYS 53 HA LYS 53 47.748 61.931 56.369 416 1HB LYS 53 2HB LYS 53 45.799 63.231 55.982 417 2HB LYS 53 1HB LYS 53 46.569 63.974 54.554 418 1HG LYS 53 2HG LYS 53 45.898 61.673 53.342 419 2HG LYS 53 1HG LYS 53 44.634 61.699 54.695 420 1HD LYS 53 2HD LYS 53 43.737 62.857 52.889 421 2HD LYS 53 1HD LYS 53 44.346 64.152 54.096 422 1HE LYS 53 2HE LYS 53 46.470 63.545 52.230 423 2HE LYS 53 1HE LYS 53 44.976 63.737 51.189 424 1HZ LYS 53 2HZ LYS 53 45.900 65.609 53.320 425 2HZ LYS 53 1HZ LYS 53 46.196 65.761 51.675 426 3HZ LYS 53 3HZ LYS 53 44.635 65.885 52.312 427 H THR 54 H THR 54 47.197 59.997 55.990 428 HA THR 54 HA THR 54 48.383 58.818 53.499 429 HB THR 54 HB THR 54 49.099 58.050 55.716 430 HG1 THR 54 1HG THR 54 49.488 56.312 54.781 431 1HG2 THR 54 1HG2 THR 54 46.674 58.078 56.670 432 2HG2 THR 54 3HG2 THR 54 46.447 56.433 55.909 433 3HG2 THR 54 2HG2 THR 54 47.670 56.612 57.175 434 H ASN 55 H ASN 55 47.433 57.057 52.404 435 HA ASN 55 HA ASN 55 44.445 57.150 52.335 436 1HB ASN 55 2HB ASN 55 45.708 58.548 50.513 437 2HB ASN 55 1HB ASN 55 45.866 56.846 49.709 438 1HD2 ASN 55 2HD2 ASN 55 42.390 58.884 49.663 439 2HD2 ASN 55 1HD2 ASN 55 44.070 59.594 50.243 440 H SER 56 H SER 56 46.093 55.378 53.487 441 HA SER 56 HA SER 56 46.281 52.821 51.987 442 1HB SER 56 2HB SER 56 47.906 52.970 53.795 443 2HB SER 56 1HB SER 56 46.560 53.605 54.955 444 HG SER 56 HG SER 56 46.859 51.019 54.007 445 H THR 57 H THR 57 45.361 50.995 52.582 446 HA THR 57 HA THR 57 42.414 51.150 52.541 447 HB THR 57 HB THR 57 44.004 48.577 52.929 448 HG1 THR 57 1HG THR 57 44.201 50.246 50.722 449 1HG2 THR 57 2HG2 THR 57 41.351 49.403 51.578 450 2HG2 THR 57 1HG2 THR 57 42.230 47.975 50.966 451 3HG2 THR 57 3HG2 THR 57 41.709 48.059 52.728 452 H PHE 58 H PHE 58 44.998 50.456 54.654 453 HA PHE 58 HA PHE 58 43.439 49.441 56.933 454 1HB PHE 58 2HB PHE 58 46.198 50.794 56.719 455 2HB PHE 58 1HB PHE 58 45.368 50.571 58.339 456 HD1 PHE 58 HD1 PHE 58 44.317 47.830 58.209 457 HD2 PHE 58 HD2 PHE 58 47.927 49.502 56.574 458 HE1 PHE 58 HE1 PHE 58 45.442 45.546 58.335 459 HE2 PHE 58 HE2 PHE 58 48.974 47.312 56.703 460 HZ PHE 58 HZ PHE 58 47.773 45.319 57.577 461 H ARG 59 H ARG 59 45.168 52.410 56.392 462 HA ARG 59 HA ARG 59 42.844 53.956 57.770 463 1HB ARG 59 2HB ARG 59 45.719 54.680 58.486 464 2HB ARG 59 1HB ARG 59 44.189 54.931 59.443 465 1HG ARG 59 2HG ARG 59 44.132 52.269 59.508 466 2HG ARG 59 1HG ARG 59 45.864 52.439 58.984 467 1HD ARG 59 2HD ARG 59 44.992 54.110 61.356 468 2HD ARG 59 1HD ARG 59 45.006 52.343 61.599 469 HE ARG 59 HE ARG 59 47.368 53.963 61.379 470 1HH1 ARG 59 1HH2 ARG 59 45.865 50.839 60.597 471 2HH1 ARG 59 2HH2 ARG 59 47.313 49.917 60.601 472 1HH2 ARG 59 1HH1 ARG 59 49.498 52.598 61.366 473 2HH2 ARG 59 2HH1 ARG 59 49.275 50.887 61.021 474 H ASN 60 H ASN 60 43.188 56.041 58.080 475 HA ASN 60 HA ASN 60 44.505 57.331 55.693 476 1HB ASN 60 2HB ASN 60 41.607 58.055 56.471 477 2HB ASN 60 1HB ASN 60 42.358 58.173 54.778 478 1HD2 ASN 60 1HD2 ASN 60 41.888 54.810 53.942 479 2HD2 ASN 60 2HD2 ASN 60 42.975 56.215 53.727 480 H TYR 61 H TYR 61 45.149 57.389 58.405 481 HA TYR 61 HA TYR 61 43.966 59.728 59.679 482 1HB TYR 61 2HB TYR 61 46.282 57.813 60.007 483 2HB TYR 61 1HB TYR 61 46.616 59.470 60.747 484 HD1 TYR 61 HD1 TYR 61 44.548 56.481 60.654 485 HD2 TYR 61 HD2 TYR 61 45.275 60.238 62.742 486 HE1 TYR 61 HE1 TYR 61 43.112 55.689 62.486 487 HE2 TYR 61 HE2 TYR 61 43.855 59.425 64.561 488 HH TYR 61 HH TYR 61 43.179 56.928 65.431 489 H ASP 62 H ASP 62 45.524 61.507 60.392 490 HA ASP 62 HA ASP 62 47.074 62.626 58.067 491 1HB ASP 62 2HB ASP 62 45.703 64.765 58.339 492 2HB ASP 62 1HB ASP 62 44.701 63.232 57.765 493 H LEU 63 H LEU 63 48.473 64.073 58.310 494 HA LEU 63 HA LEU 63 49.399 64.606 61.094 495 1HB LEU 63 2HB LEU 63 50.923 63.868 59.016 496 2HB LEU 63 1HB LEU 63 50.669 65.586 58.484 497 HG LEU 63 HG LEU 63 51.735 66.401 60.667 498 1HD1 LEU 63 1HD1 LEU 63 51.189 63.507 61.402 499 2HD1 LEU 63 3HD1 LEU 63 52.803 64.094 61.797 500 3HD1 LEU 63 2HD1 LEU 63 51.354 65.072 62.368 501 1HD2 LEU 63 3HD2 LEU 63 53.214 65.816 58.676 502 2HD2 LEU 63 2HD2 LEU 63 53.998 65.499 60.326 503 3HD2 LEU 63 1HD2 LEU 63 53.338 64.132 59.372 504 H ASP 64 H ASP 64 47.043 65.919 60.636 505 HA ASP 64 HA ASP 64 47.426 68.554 59.548 506 1HB ASP 64 2HB ASP 64 45.360 69.059 60.991 507 2HB ASP 64 1HB ASP 64 45.159 67.426 60.043 508 H PHE 65 H PHE 65 49.268 69.365 59.996 509 HA PHE 65 HA PHE 65 49.882 69.912 62.861 510 1HB PHE 65 2HB PHE 65 51.359 68.857 60.440 511 2HB PHE 65 1HB PHE 65 52.172 70.214 61.299 512 HD1 PHE 65 HD1 PHE 65 49.873 67.854 63.035 513 HD2 PHE 65 HD2 PHE 65 53.972 68.778 61.900 514 HE1 PHE 65 HE1 PHE 65 50.643 66.219 64.643 515 HE2 PHE 65 HE2 PHE 65 54.762 67.152 63.499 516 HZ PHE 65 HZ PHE 65 53.103 65.839 64.895 517 H THR 66 H THR 66 51.657 71.609 62.714 518 HA THR 66 HA THR 66 51.454 73.745 60.749 519 HB THR 66 HB THR 66 49.715 73.737 63.163 520 HG1 THR 66 1HG THR 66 48.883 75.378 62.083 521 1HG2 THR 66 2HG2 THR 66 51.817 76.006 62.878 522 2HG2 THR 66 1HG2 THR 66 50.256 76.219 63.824 523 3HG2 THR 66 3HG2 THR 66 51.526 74.997 64.314 524 H VAL 67 H VAL 67 53.207 75.226 61.108 525 HA VAL 67 HA VAL 67 55.379 73.904 62.622 526 HB VAL 67 HB VAL 67 55.719 75.346 60.608 527 1HG1 VAL 67 1HG1 VAL 67 53.963 76.997 61.536 528 2HG1 VAL 67 3HG1 VAL 67 55.327 77.761 62.472 529 3HG1 VAL 67 2HG1 VAL 67 55.335 77.713 60.615 530 1HG2 VAL 67 1HG2 VAL 67 57.122 75.882 63.244 531 2HG2 VAL 67 3HG2 VAL 67 57.702 75.134 61.691 532 3HG2 VAL 67 2HG2 VAL 67 57.517 76.953 61.799 533 H GLY 68 H GLY 68 56.133 74.032 64.419 534 1HA GLY 68 1HA GLY 68 56.322 74.598 66.655 535 2HA GLY 68 2HA GLY 68 56.043 76.346 66.146 536 H VAL 69 H VAL 69 53.745 73.579 65.984 537 HA VAL 69 HA VAL 69 51.836 75.337 67.448 538 HB VAL 69 HB VAL 69 51.674 73.339 65.431 539 1HG1 VAL 69 1HG1 VAL 69 52.464 71.714 67.198 540 2HG1 VAL 69 3HG1 VAL 69 50.745 71.885 67.893 541 3HG1 VAL 69 2HG1 VAL 69 51.078 71.202 66.219 542 1HG2 VAL 69 2HG2 VAL 69 49.914 75.022 66.439 543 2HG2 VAL 69 1HG2 VAL 69 49.300 73.554 65.604 544 3HG2 VAL 69 3HG2 VAL 69 49.272 73.589 67.388 545 H GLU 70 H GLU 70 54.216 73.018 67.965 546 HA GLU 70 HA GLU 70 54.641 71.682 69.894 547 1HB GLU 70 2HB GLU 70 54.662 74.214 70.781 548 2HB GLU 70 1HB GLU 70 53.101 73.631 71.610 549 1HG GLU 70 2HG GLU 70 54.083 72.248 72.965 550 2HG GLU 70 1HG GLU 70 55.544 71.917 71.785 551 H PHE 71 H PHE 71 53.242 70.435 68.685 552 HA PHE 71 HA PHE 71 50.486 70.136 69.287 553 1HB PHE 71 2HB PHE 71 51.870 68.814 67.516 554 2HB PHE 71 1HB PHE 71 52.006 67.573 68.858 555 HD1 PHE 71 HD1 PHE 71 49.487 69.633 67.087 556 HD2 PHE 71 HD2 PHE 71 50.292 66.078 69.183 557 HE1 PHE 71 HE1 PHE 71 47.237 68.901 66.585 558 HE2 PHE 71 HE2 PHE 71 47.943 65.205 68.693 559 HZ PHE 71 HZ PHE 71 46.433 66.664 67.387 560 H ASP 72 H ASP 72 49.280 69.180 70.787 561 HA ASP 72 HA ASP 72 50.784 68.098 73.195 562 1HB ASP 72 2HB ASP 72 47.842 68.983 72.902 563 2HB ASP 72 1HB ASP 72 48.713 68.513 74.464 564 H GLU 73 H GLU 73 51.185 66.342 71.769 565 HA GLU 73 HA GLU 73 49.185 64.550 70.750 566 1HB GLU 73 2HB GLU 73 51.661 64.497 70.359 567 2HB GLU 73 1HB GLU 73 51.867 63.586 71.927 568 1HG GLU 73 2HG GLU 73 51.434 61.760 70.500 569 2HG GLU 73 1HG GLU 73 49.656 62.363 70.634 570 H HIS 74 H HIS 74 47.830 63.311 71.454 571 HA HIS 74 HA HIS 74 47.987 62.180 74.227 572 1HB HIS 74 2HB HIS 74 46.660 64.469 74.058 573 2HB HIS 74 1HB HIS 74 45.423 63.389 73.213 574 HD1 HIS 74 HD1 HIS 74 44.781 61.170 74.646 575 HD2 HIS 74 HD2 HIS 74 46.487 64.483 76.647 576 HE1 HIS 74 HE1 HIS 74 44.247 60.874 77.194 577 HE2 HIS 74 HE2 HIS 74 45.290 62.891 78.330 578 H THR 75 H THR 75 48.496 61.140 71.843 579 HA THR 75 HA THR 75 46.840 59.762 70.261 580 HB THR 75 HB THR 75 48.764 58.950 69.683 581 HG1 THR 75 1HG THR 75 48.538 56.985 70.059 582 1HG2 THR 75 3HG2 THR 75 49.376 59.168 72.794 583 2HG2 THR 75 2HG2 THR 75 50.535 58.319 71.748 584 3HG2 THR 75 1HG2 THR 75 50.252 60.118 71.480 585 H LYS 76 H LYS 76 46.275 57.687 70.019 586 HA LYS 76 HA LYS 76 46.028 55.551 71.769 587 1HB LYS 76 2HB LYS 76 43.553 55.702 72.444 588 2HB LYS 76 1HB LYS 76 44.736 56.720 73.383 589 1HG LYS 76 2HG LYS 76 44.031 58.479 71.279 590 2HG LYS 76 1HG LYS 76 42.479 57.613 71.722 591 1HD LYS 76 2HD LYS 76 44.365 59.071 73.661 592 2HD LYS 76 1HD LYS 76 42.689 59.581 73.113 593 1HE LYS 76 2HE LYS 76 42.538 56.855 74.147 594 2HE LYS 76 1HE LYS 76 43.594 57.806 75.263 595 1HZ LYS 76 2HZ LYS 76 41.066 59.131 74.559 596 2HZ LYS 76 1HZ LYS 76 41.065 57.772 75.562 597 3HZ LYS 76 3HZ LYS 76 41.936 59.078 75.992 598 H GLY 77 H GLY 77 45.359 53.927 71.034 599 1HA GLY 77 1HA GLY 77 43.774 52.624 69.613 600 2HA GLY 77 2HA GLY 77 44.011 53.841 68.329 601 H LEU 78 H LEU 78 46.703 54.184 69.674 602 HA LEU 78 HA LEU 78 48.304 52.174 68.097 603 1HB LEU 78 2HB LEU 78 48.131 54.848 67.750 604 2HB LEU 78 1HB LEU 78 49.545 54.792 68.944 605 HG LEU 78 HG LEU 78 50.391 52.864 67.438 606 1HD1 LEU 78 3HD1 LEU 78 48.213 54.001 65.680 607 2HD1 LEU 78 2HD1 LEU 78 49.752 53.383 64.947 608 3HD1 LEU 78 1HD1 LEU 78 48.691 52.303 65.974 609 1HD2 LEU 78 3HD2 LEU 78 50.397 55.878 66.727 610 2HD2 LEU 78 2HD2 LEU 78 51.790 54.901 67.338 611 3HD2 LEU 78 1HD2 LEU 78 51.225 54.664 65.636 612 H ASP 79 H ASP 79 48.801 54.534 70.762 613 HA ASP 79 HA ASP 79 50.511 52.415 72.090 614 1HB ASP 79 2HB ASP 79 51.913 54.158 71.256 615 2HB ASP 79 1HB ASP 79 50.810 55.508 71.916 616 H GLY 80 H GLY 80 48.806 55.483 72.643 617 1HA GLY 80 1HA GLY 80 47.390 56.214 74.234 618 2HA GLY 80 2HA GLY 80 47.177 54.511 74.890 619 H ARG 81 H ARG 81 48.890 57.446 74.544 620 HA ARG 81 HA ARG 81 49.806 57.309 77.400 621 1HB ARG 81 2HB ARG 81 51.672 56.237 76.159 622 2HB ARG 81 1HB ARG 81 51.782 57.674 75.023 623 1HG ARG 81 2HG ARG 81 53.564 57.978 76.730 624 2HG ARG 81 1HG ARG 81 52.234 59.025 77.308 625 1HD ARG 81 2HD ARG 81 51.665 57.652 78.985 626 2HD ARG 81 1HD ARG 81 52.179 56.120 78.118 627 HE ARG 81 HE ARG 81 54.108 58.153 79.218 628 1HH1 ARG 81 1HH1 ARG 81 53.210 54.655 78.790 629 2HH1 ARG 81 2HH1 ARG 81 54.723 54.119 79.548 630 1HH2 ARG 81 2HH2 ARG 81 55.951 57.378 80.161 631 2HH2 ARG 81 1HH2 ARG 81 56.286 55.661 80.343 632 H ASN 82 H ASN 82 51.497 59.601 75.355 633 HA ASN 82 HA ASN 82 50.042 61.686 75.013 634 1HB ASN 82 2HB ASN 82 48.986 62.196 77.092 635 2HB ASN 82 1HB ASN 82 50.305 61.393 78.116 636 1HD2 ASN 82 1HD2 ASN 82 51.953 64.147 78.934 637 2HD2 ASN 82 2HD2 ASN 82 51.548 62.463 79.174 638 H VAL 83 H VAL 83 51.259 62.893 74.074 639 HA VAL 83 HA VAL 83 54.083 63.407 75.095 640 HB VAL 83 HB VAL 83 53.604 62.730 72.177 641 1HG1 VAL 83 2HG1 VAL 83 56.018 62.721 74.045 642 2HG1 VAL 83 1HG1 VAL 83 55.994 61.546 72.717 643 3HG1 VAL 83 3HG1 VAL 83 55.901 63.279 72.286 644 1HG2 VAL 83 3HG2 VAL 83 54.177 60.795 74.533 645 2HG2 VAL 83 2HG2 VAL 83 52.654 60.772 73.504 646 3HG2 VAL 83 1HG2 VAL 83 54.225 60.357 72.737 647 H LYS 84 H LYS 84 55.310 64.864 73.495 648 HA LYS 84 HA LYS 84 53.477 67.081 72.767 649 1HB LYS 84 2HB LYS 84 56.132 67.096 74.232 650 2HB LYS 84 1HB LYS 84 55.774 68.414 73.044 651 1HG LYS 84 2HG LYS 84 53.868 69.173 74.177 652 2HG LYS 84 1HG LYS 84 53.578 67.540 74.953 653 1HD LYS 84 2HD LYS 84 56.188 68.968 75.410 654 2HD LYS 84 1HD LYS 84 54.753 69.710 76.258 655 1HE LYS 84 2HE LYS 84 54.635 66.734 76.548 656 2HE LYS 84 1HE LYS 84 56.310 67.327 77.019 657 1HZ LYS 84 1HZ LYS 84 54.795 69.088 78.304 658 2HZ LYS 84 3HZ LYS 84 53.704 67.826 78.290 659 3HZ LYS 84 2HZ LYS 84 55.243 67.626 78.941 660 H THR 85 H THR 85 53.313 66.664 70.562 661 HA THR 85 HA THR 85 55.856 66.240 69.031 662 HB THR 85 HB THR 85 52.878 65.891 68.442 663 HG1 THR 85 1HG THR 85 54.558 64.658 69.706 664 1HG2 THR 85 2HG2 THR 85 55.591 65.417 66.811 665 2HG2 THR 85 1HG2 THR 85 53.980 64.776 66.336 666 3HG2 THR 85 3HG2 THR 85 54.313 66.573 66.243 667 H LEU 86 H LEU 86 56.742 67.972 69.483 668 HA LEU 86 HA LEU 86 55.736 70.483 68.548 669 1HB LEU 86 2HB LEU 86 57.531 70.203 70.292 670 2HB LEU 86 1HB LEU 86 58.649 69.567 68.944 671 HG LEU 86 HG LEU 86 57.840 72.127 67.992 672 1HD1 LEU 86 3HD1 LEU 86 58.439 71.876 70.976 673 2HD1 LEU 86 2HD1 LEU 86 58.940 73.331 70.099 674 3HD1 LEU 86 1HD1 LEU 86 57.172 72.951 70.152 675 1HD2 LEU 86 2HD2 LEU 86 60.115 70.552 68.118 676 2HD2 LEU 86 1HD2 LEU 86 60.183 72.358 67.916 677 3HD2 LEU 86 3HD2 LEU 86 60.427 71.601 69.548 678 H VAL 87 H VAL 87 56.367 71.654 66.743 679 HA VAL 87 HA VAL 87 57.634 70.110 64.520 680 HB VAL 87 HB VAL 87 55.170 72.060 64.416 681 1HG1 VAL 87 2HG1 VAL 87 56.907 71.256 62.326 682 2HG1 VAL 87 1HG1 VAL 87 55.550 70.152 62.136 683 3HG1 VAL 87 3HG1 VAL 87 55.226 71.952 62.133 684 1HG2 VAL 87 2HG2 VAL 87 54.656 69.940 65.630 685 2HG2 VAL 87 1HG2 VAL 87 53.803 69.986 64.033 686 3HG2 VAL 87 3HG2 VAL 87 55.246 68.967 64.214 687 H THR 88 H THR 88 58.823 71.275 63.104 688 HA THR 88 HA THR 88 58.943 74.166 63.090 689 HB THR 88 HB THR 88 60.140 73.274 65.259 690 HG1 THR 88 1HG THR 88 60.163 75.333 64.550 691 1HG2 THR 88 2HG2 THR 88 62.310 72.686 63.014 692 2HG2 THR 88 1HG2 THR 88 62.716 73.011 64.701 693 3HG2 THR 88 3HG2 THR 88 61.631 71.580 64.287 694 H TRP 89 H TRP 89 60.966 74.841 61.897 695 HA TRP 89 HA TRP 89 61.305 73.242 59.394 696 1HB TRP 89 2HB TRP 89 61.764 76.213 60.230 697 2HB TRP 89 1HB TRP 89 62.277 75.579 58.625 698 HD1 TRP 89 HD1 TRP 89 59.151 77.024 60.181 699 HE1 TRP 89 HE1 TRP 89 57.210 76.179 58.846 700 HE3 TRP 89 HE3 TRP 89 61.589 73.547 57.556 701 HZ2 TRP 89 HZ2 TRP 89 56.762 74.046 56.793 702 HZ3 TRP 89 HZ3 TRP 89 60.475 72.073 55.940 703 HH2 TRP 89 HH2 TRP 89 58.125 72.368 55.652 704 H GLU 90 H GLU 90 63.483 72.809 58.459 705 HA GLU 90 HA GLU 90 65.368 72.895 60.746 706 1HB GLU 90 2HB GLU 90 64.646 70.965 58.962 707 2HB GLU 90 1HB GLU 90 66.039 71.719 58.049 708 1HG GLU 90 2HG GLU 90 66.206 70.393 60.902 709 2HG GLU 90 1HG GLU 90 66.911 69.788 59.312 710 H GLY 91 H GLY 91 64.392 74.526 58.181 711 1HA GLY 91 1HA GLY 91 65.293 76.771 57.758 712 2HA GLY 91 2HA GLY 91 66.998 76.032 57.580 713 H ASN 92 H ASN 92 65.380 73.704 56.790 714 HA ASN 92 HA ASN 92 64.040 74.004 54.267 715 1HB ASN 92 2HB ASN 92 65.966 72.503 53.047 716 2HB ASN 92 1HB ASN 92 65.993 74.371 52.980 717 1HD2 ASN 92 2HD2 ASN 92 68.556 72.132 55.315 718 2HD2 ASN 92 1HD2 ASN 92 67.074 71.510 54.665 719 H THR 93 H THR 93 62.820 72.853 55.704 720 HA THR 93 HA THR 93 61.747 70.574 55.272 721 HB THR 93 HB THR 93 63.839 69.402 54.877 722 HG1 THR 93 1HG THR 93 62.456 68.142 56.893 723 1HG2 THR 93 3HG2 THR 93 63.835 69.219 58.091 724 2HG2 THR 93 2HG2 THR 93 64.939 68.333 56.980 725 3HG2 THR 93 1HG2 THR 93 65.090 70.117 57.142 726 H LEU 94 H LEU 94 60.684 69.374 56.560 727 HA LEU 94 HA LEU 94 59.869 70.651 59.012 728 1HB LEU 94 2HB LEU 94 58.226 69.859 57.259 729 2HB LEU 94 1HB LEU 94 58.686 68.168 57.791 730 HG LEU 94 HG LEU 94 58.364 69.344 60.201 731 1HD1 LEU 94 1HD1 LEU 94 56.443 70.849 58.287 732 2HD1 LEU 94 3HD1 LEU 94 55.856 70.365 59.950 733 3HD1 LEU 94 2HD1 LEU 94 57.291 71.447 59.777 734 1HD2 LEU 94 1HD2 LEU 94 56.672 67.747 58.354 735 2HD2 LEU 94 3HD2 LEU 94 57.281 67.284 59.971 736 3HD2 LEU 94 2HD2 LEU 94 55.837 68.426 59.848 737 H VAL 95 H VAL 95 60.867 70.353 60.682 738 HA VAL 95 HA VAL 95 61.915 67.746 61.554 739 HB VAL 95 HB VAL 95 62.201 70.719 62.415 740 1HG1 VAL 95 3HG1 VAL 95 62.882 68.365 63.880 741 2HG1 VAL 95 2HG1 VAL 95 64.476 69.143 63.453 742 3HG1 VAL 95 1HG1 VAL 95 63.195 70.064 64.378 743 1HG2 VAL 95 2HG2 VAL 95 63.354 69.303 60.289 744 2HG2 VAL 95 1HG2 VAL 95 63.979 70.867 60.992 745 3HG2 VAL 95 3HG2 VAL 95 64.689 69.245 61.516 746 H CYS 96 H CYS 96 60.436 66.729 62.878 747 HA CYS 96 HA CYS 96 59.175 68.421 64.981 748 1HB CYS 96 2HB CYS 96 57.876 65.965 63.620 749 2HB CYS 96 1HB CYS 96 56.997 67.026 64.758 750 HG CYS 96 HG CYS 96 58.155 69.129 62.955 751 H VAL 97 H VAL 97 58.961 67.465 66.962 752 HA VAL 97 HA VAL 97 60.134 64.778 67.365 753 HB VAL 97 HB VAL 97 60.842 66.696 69.471 754 1HG1 VAL 97 3HG1 VAL 97 62.271 64.788 67.570 755 2HG1 VAL 97 2HG1 VAL 97 63.279 66.041 68.404 756 3HG1 VAL 97 1HG1 VAL 97 62.278 64.816 69.367 757 1HG2 VAL 97 1HG2 VAL 97 60.629 68.342 67.656 758 2HG2 VAL 97 3HG2 VAL 97 62.330 68.132 68.147 759 3HG2 VAL 97 2HG2 VAL 97 61.789 67.344 66.600 760 H GLN 98 H GLN 98 58.796 63.565 68.474 761 HA GLN 98 HA GLN 98 56.689 64.715 70.301 762 1HB GLN 98 2HB GLN 98 57.567 61.787 69.983 763 2HB GLN 98 1HB GLN 98 55.905 62.369 70.467 764 1HG GLN 98 2HG GLN 98 56.267 63.584 67.977 765 2HG GLN 98 1HG GLN 98 57.203 62.021 67.775 766 1HE2 GLN 98 2HE2 GLN 98 53.893 60.417 68.856 767 2HE2 GLN 98 1HE2 GLN 98 55.373 60.661 69.767 768 H LYS 99 H LYS 99 57.747 65.731 71.748 769 HA LYS 99 HA LYS 99 59.725 64.159 73.381 770 1HB LYS 99 2HB LYS 99 58.752 66.988 73.155 771 2HB LYS 99 1HB LYS 99 58.874 66.449 74.829 772 1HG LYS 99 2HG LYS 99 61.195 65.945 74.632 773 2HG LYS 99 1HG LYS 99 61.224 65.939 72.813 774 1HD LYS 99 2HD LYS 99 60.995 68.396 72.787 775 2HD LYS 99 1HD LYS 99 60.540 68.408 74.557 776 1HE LYS 99 2HE LYS 99 62.894 68.103 75.128 777 2HE LYS 99 1HE LYS 99 63.166 67.244 73.529 778 1HZ LYS 99 1HZ LYS 99 62.485 70.113 73.657 779 2HZ LYS 99 3HZ LYS 99 64.063 69.588 73.878 780 3HZ LYS 99 2HZ LYS 99 63.261 69.223 72.445 781 H GLY 100 H GLY 100 59.144 62.882 74.837 782 1HA GLY 100 1HA GLY 100 56.596 63.423 76.447 783 2HA GLY 100 2HA GLY 100 56.873 61.770 75.838 784 H GLU 101 H GLU 101 58.591 60.695 76.401 785 HA GLU 101 HA GLU 101 60.230 61.507 78.719 786 1HB GLU 101 2HB GLU 101 58.318 60.656 79.939 787 2HB GLU 101 1HB GLU 101 58.039 59.306 78.763 788 1HG GLU 101 2HG GLU 101 60.293 58.308 79.613 789 2HG GLU 101 1HG GLU 101 60.296 59.687 80.853 790 H LYS 102 H LYS 102 59.310 58.262 77.467 791 HA LYS 102 HA LYS 102 62.223 57.738 77.050 792 1HB LYS 102 2HB LYS 102 61.482 55.400 76.821 793 2HB LYS 102 1HB LYS 102 60.691 56.065 78.311 794 1HG LYS 102 2HG LYS 102 58.731 55.302 77.401 795 2HG LYS 102 1HG LYS 102 58.863 56.738 76.318 796 1HD LYS 102 2HD LYS 102 58.733 55.258 74.601 797 2HD LYS 102 1HD LYS 102 60.483 55.012 74.878 798 1HE LYS 102 2HE LYS 102 58.129 53.345 75.992 799 2HE LYS 102 1HE LYS 102 59.304 52.904 74.671 800 1HZ LYS 102 2HZ LYS 102 60.904 53.453 76.761 801 2HZ LYS 102 1HZ LYS 102 59.588 52.989 77.614 802 3HZ LYS 102 3HZ LYS 102 60.279 51.916 76.526 803 H GLU 103 H GLU 103 59.546 58.720 75.236 804 HA GLU 103 HA GLU 103 60.471 57.333 72.759 805 1HB GLU 103 2HB GLU 103 58.241 59.414 73.034 806 2HB GLU 103 1HB GLU 103 58.505 58.155 71.729 807 1HG GLU 103 2HG GLU 103 57.628 56.470 72.842 808 2HG GLU 103 1HG GLU 103 58.173 57.132 74.523 809 H ASN 104 H ASN 104 60.744 58.065 70.960 810 HA ASN 104 HA ASN 104 61.297 60.897 70.446 811 1HB ASN 104 2HB ASN 104 63.040 58.347 70.259 812 2HB ASN 104 1HB ASN 104 63.504 59.756 69.211 813 1HD2 ASN 104 2HD2 ASN 104 65.225 61.342 71.767 814 2HD2 ASN 104 1HD2 ASN 104 64.742 61.102 69.927 815 H ARG 105 H ARG 105 59.269 60.668 69.412 816 HA ARG 105 HA ARG 105 58.987 58.519 67.422 817 1HB ARG 105 2HB ARG 105 57.018 60.283 68.828 818 2HB ARG 105 1HB ARG 105 56.606 59.830 67.119 819 1HG ARG 105 2HG ARG 105 57.320 57.895 69.379 820 2HG ARG 105 1HG ARG 105 55.681 58.213 68.658 821 1HD ARG 105 2HD ARG 105 58.038 56.909 67.169 822 2HD ARG 105 1HD ARG 105 56.427 56.200 67.539 823 HE ARG 105 HE ARG 105 57.112 58.188 65.444 824 1HH1 ARG 105 1HH1 ARG 105 54.599 56.865 67.600 825 2HH1 ARG 105 2HH1 ARG 105 53.213 57.318 66.620 826 1HH2 ARG 105 2HH2 ARG 105 55.348 58.821 64.102 827 2HH2 ARG 105 1HH2 ARG 105 53.679 58.536 64.439 828 H GLY 106 H GLY 106 60.665 61.052 67.233 829 1HA GLY 106 1HA GLY 106 59.763 62.781 65.124 830 2HA GLY 106 2HA GLY 106 61.437 62.269 65.408 831 H TRP 107 H TRP 107 58.859 62.085 63.513 832 HA TRP 107 HA TRP 107 59.735 60.014 61.560 833 1HB TRP 107 2HB TRP 107 57.446 60.094 60.732 834 2HB TRP 107 1HB TRP 107 57.266 60.192 62.540 835 HD1 TRP 107 HD1 TRP 107 57.238 62.318 59.256 836 HE1 TRP 107 HE1 TRP 107 56.244 64.713 59.780 837 HE3 TRP 107 HE3 TRP 107 56.945 61.760 64.142 838 HZ2 TRP 107 HZ2 TRP 107 55.553 65.920 61.978 839 HZ3 TRP 107 HZ3 TRP 107 56.053 63.621 65.573 840 HH2 TRP 107 HH2 TRP 107 55.373 65.661 64.482 841 H LYS 108 H LYS 108 60.437 62.850 62.256 842 HA LYS 108 HA LYS 108 60.170 64.838 60.542 843 1HB LYS 108 2HB LYS 108 62.929 64.857 60.196 844 2HB LYS 108 1HB LYS 108 62.109 65.351 61.755 845 1HG LYS 108 2HG LYS 108 62.332 62.807 62.414 846 2HG LYS 108 1HG LYS 108 63.515 62.769 60.959 847 1HD LYS 108 2HD LYS 108 64.843 63.156 63.011 848 2HD LYS 108 1HD LYS 108 64.691 64.728 62.117 849 1HE LYS 108 2HE LYS 108 62.975 65.427 63.636 850 2HE LYS 108 1HE LYS 108 62.762 63.726 64.319 851 1HZ LYS 108 1HZ LYS 108 65.176 65.388 64.599 852 2HZ LYS 108 3HZ LYS 108 64.005 65.342 65.797 853 3HZ LYS 108 2HZ LYS 108 64.896 63.957 65.377 854 H GLN 109 H GLN 109 60.625 65.799 58.772 855 HA GLN 109 HA GLN 109 61.245 63.799 56.497 856 1HB GLN 109 2HB GLN 109 60.176 66.652 56.214 857 2HB GLN 109 1HB GLN 109 59.854 65.219 55.116 858 1HG GLN 109 2HG GLN 109 58.752 65.476 58.019 859 2HG GLN 109 1HG GLN 109 57.905 65.976 56.419 860 1HE2 GLN 109 1HE2 GLN 109 56.790 62.647 57.224 861 2HE2 GLN 109 2HE2 GLN 109 56.751 64.439 57.884 862 H TRP 110 H TRP 110 62.324 64.720 54.578 863 HA TRP 110 HA TRP 110 63.794 67.175 54.711 864 1HB TRP 110 2HB TRP 110 66.047 66.161 55.039 865 2HB TRP 110 1HB TRP 110 65.006 66.442 56.521 866 HD1 TRP 110 HD1 TRP 110 65.146 63.316 54.051 867 HE1 TRP 110 HE1 TRP 110 65.513 61.259 55.644 868 HE3 TRP 110 HE3 TRP 110 65.417 65.814 58.252 869 HZ2 TRP 110 HZ2 TRP 110 65.885 60.954 58.423 870 HZ3 TRP 110 HZ3 TRP 110 65.775 64.721 60.478 871 HH2 TRP 110 HH2 TRP 110 66.003 62.328 60.456 872 H VAL 111 H VAL 111 62.461 66.633 52.833 873 HA VAL 111 HA VAL 111 62.700 65.242 50.620 874 HB VAL 111 HB VAL 111 63.306 68.265 50.768 875 1HG1 VAL 111 3HG1 VAL 111 62.822 66.581 48.418 876 2HG1 VAL 111 2HG1 VAL 111 61.512 67.772 48.583 877 3HG1 VAL 111 1HG1 VAL 111 63.267 68.321 48.485 878 1HG2 VAL 111 2HG2 VAL 111 60.796 66.572 51.176 879 2HG2 VAL 111 1HG2 VAL 111 61.269 68.084 51.995 880 3HG2 VAL 111 3HG2 VAL 111 60.591 68.173 50.293 881 H GLU 112 H GLU 112 64.467 63.949 50.313 882 HA GLU 112 HA GLU 112 67.050 65.317 49.887 883 1HB GLU 112 2HB GLU 112 66.179 62.392 50.016 884 2HB GLU 112 1HB GLU 112 67.827 62.852 49.560 885 1HG GLU 112 2HG GLU 112 67.386 64.500 51.742 886 2HG GLU 112 1HG GLU 112 66.608 62.822 52.238 887 H GLY 113 H GLY 113 64.599 65.354 48.016 888 1HA GLY 113 1HA GLY 113 64.747 65.920 45.644 889 2HA GLY 113 2HA GLY 113 66.221 64.938 45.494 890 H ASP 114 H ASP 114 63.240 65.196 44.633 891 HA ASP 114 HA ASP 114 61.729 63.999 43.418 892 1HB ASP 114 2HB ASP 114 64.119 62.080 43.550 893 2HB ASP 114 1HB ASP 114 62.578 61.532 42.709 894 H LYS 115 H LYS 115 62.284 63.236 46.551 895 HA LYS 115 HA LYS 115 59.789 61.782 46.859 896 1HB LYS 115 2HB LYS 115 60.539 59.637 47.528 897 2HB LYS 115 1HB LYS 115 61.279 59.998 45.919 898 1HG LYS 115 2HG LYS 115 63.351 60.936 47.400 899 2HG LYS 115 1HG LYS 115 62.599 59.938 48.691 900 1HD LYS 115 2HD LYS 115 63.214 57.920 47.503 901 2HD LYS 115 1HD LYS 115 62.882 58.656 45.912 902 1HE LYS 115 2HE LYS 115 65.217 59.561 47.735 903 2HE LYS 115 1HE LYS 115 65.384 58.183 46.586 904 1HZ LYS 115 2HZ LYS 115 64.633 60.920 45.707 905 2HZ LYS 115 1HZ LYS 115 66.174 60.194 45.621 906 3HZ LYS 115 3HZ LYS 115 64.899 59.573 44.766 907 H LEU 116 H LEU 116 60.648 60.411 49.317 908 HA LEU 116 HA LEU 116 61.785 62.754 50.826 909 1HB LEU 116 2HB LEU 116 59.874 63.860 50.696 910 2HB LEU 116 1HB LEU 116 58.830 62.420 50.449 911 HG LEU 116 HG LEU 116 60.090 62.671 53.205 912 1HD1 LEU 116 1HD1 LEU 116 59.610 65.003 52.569 913 2HD1 LEU 116 3HD1 LEU 116 57.933 64.595 52.102 914 3HD1 LEU 116 2HD1 LEU 116 58.495 64.371 53.869 915 1HD2 LEU 116 2HD2 LEU 116 57.549 61.576 51.955 916 2HD2 LEU 116 1HD2 LEU 116 58.449 61.064 53.497 917 3HD2 LEU 116 3HD2 LEU 116 57.317 62.468 53.488 918 H TYR 117 H TYR 117 63.078 61.872 52.005 919 HA TYR 117 HA TYR 117 62.539 59.229 53.067 920 1HB TYR 117 2HB TYR 117 64.695 61.391 53.669 921 2HB TYR 117 1HB TYR 117 64.648 59.773 54.459 922 HD1 TYR 117 HD1 TYR 117 64.943 61.544 51.179 923 HD2 TYR 117 HD2 TYR 117 65.266 57.689 53.092 924 HE1 TYR 117 HE1 TYR 117 65.962 60.578 49.187 925 HE2 TYR 117 HE2 TYR 117 66.285 56.778 51.039 926 HH TYR 117 HH TYR 117 67.002 58.886 48.257 927 H LEU 118 H LEU 118 60.590 59.324 53.907 928 HA LEU 118 HA LEU 118 60.220 60.834 56.454 929 1HB LEU 118 2HB LEU 118 58.488 59.419 54.701 930 2HB LEU 118 1HB LEU 118 58.726 58.194 56.008 931 HG LEU 118 HG LEU 118 57.732 61.100 56.521 932 1HD1 LEU 118 3HD1 LEU 118 56.252 58.383 56.224 933 2HD1 LEU 118 2HD1 LEU 118 55.506 59.947 56.835 934 3HD1 LEU 118 1HD1 LEU 118 56.199 59.807 55.167 935 1HD2 LEU 118 1HD2 LEU 118 58.934 59.656 58.414 936 2HD2 LEU 118 3HD2 LEU 118 57.265 60.227 58.748 937 3HD2 LEU 118 2HD2 LEU 118 57.550 58.500 58.184 938 H GLU 119 H GLU 119 61.689 60.618 58.009 939 HA GLU 119 HA GLU 119 62.592 57.808 58.541 940 1HB GLU 119 2HB GLU 119 64.082 60.275 58.047 941 2HB GLU 119 1HB GLU 119 64.267 59.874 59.749 942 1HG GLU 119 2HG GLU 119 64.396 57.664 57.609 943 2HG GLU 119 1HG GLU 119 65.845 58.683 57.955 944 H LEU 120 H LEU 120 61.741 56.928 60.131 945 HA LEU 120 HA LEU 120 60.996 58.774 62.374 946 1HB LEU 120 2HB LEU 120 58.899 58.085 62.442 947 2HB LEU 120 1HB LEU 120 59.221 57.411 60.796 948 HG LEU 120 HG LEU 120 60.115 55.286 62.008 949 1HD1 LEU 120 1HD1 LEU 120 58.621 56.795 64.236 950 2HD1 LEU 120 3HD1 LEU 120 58.376 54.980 64.202 951 3HD1 LEU 120 2HD1 LEU 120 60.055 55.647 64.307 952 1HD2 LEU 120 3HD2 LEU 120 57.680 55.798 60.863 953 2HD2 LEU 120 2HD2 LEU 120 58.074 54.185 61.649 954 3HD2 LEU 120 1HD2 LEU 120 57.085 55.361 62.518 955 H THR 121 H THR 121 61.275 58.404 64.276 956 HA THR 121 HA THR 121 62.946 56.010 65.105 957 HB THR 121 HB THR 121 62.742 58.944 65.964 958 HG1 THR 121 1HG THR 121 64.164 57.622 64.187 959 1HG2 THR 121 2HG2 THR 121 64.074 56.501 67.254 960 2HG2 THR 121 1HG2 THR 121 65.052 58.049 67.249 961 3HG2 THR 121 3HG2 THR 121 63.485 57.948 68.131 962 H CYS 122 H CYS 122 62.352 55.337 67.490 963 HA CYS 122 HA CYS 122 59.741 56.347 68.448 964 1HB CYS 122 2HB CYS 122 59.101 53.636 68.330 965 2HB CYS 122 1HB CYS 122 58.517 54.783 67.141 966 HG CYS 122 HG CYS 122 60.300 52.255 66.874 967 H GLY 123 H GLY 123 61.888 56.651 69.592 968 1HA GLY 123 1HA GLY 123 62.387 56.546 71.987 969 2HA GLY 123 2HA GLY 123 61.614 54.939 71.962 970 H ASP 124 H ASP 124 62.941 53.674 69.922 971 HA ASP 124 HA ASP 124 65.905 53.724 70.506 972 1HB ASP 124 2HB ASP 124 64.899 51.959 72.019 973 2HB ASP 124 1HB ASP 124 63.911 51.318 70.617 974 H GLN 125 H GLN 125 63.210 52.067 68.799 975 HA GLN 125 HA GLN 125 64.974 51.361 66.555 976 1HB GLN 125 2HB GLN 125 61.986 51.359 67.125 977 2HB GLN 125 1HB GLN 125 62.494 51.239 65.407 978 1HG GLN 125 2HG GLN 125 62.307 49.002 66.047 979 2HG GLN 125 1HG GLN 125 64.097 49.376 65.987 980 1HE2 GLN 125 2HE2 GLN 125 64.408 48.179 69.277 981 2HE2 GLN 125 1HE2 GLN 125 64.957 48.309 67.471 982 H VAL 126 H VAL 126 65.177 52.152 64.712 983 HA VAL 126 HA VAL 126 64.282 54.963 64.121 984 HB VAL 126 HB VAL 126 66.769 55.231 63.186 985 1HG1 VAL 126 3HG1 VAL 126 65.827 54.972 66.074 986 2HG1 VAL 126 2HG1 VAL 126 67.632 55.094 65.753 987 3HG1 VAL 126 1HG1 VAL 126 66.435 56.381 65.214 988 1HG2 VAL 126 2HG2 VAL 126 66.908 52.539 63.357 989 2HG2 VAL 126 1HG2 VAL 126 68.344 53.530 63.701 990 3HG2 VAL 126 3HG2 VAL 126 67.373 52.851 65.077 991 H CYS 127 H CYS 127 62.714 53.808 62.904 992 HA CYS 127 HA CYS 127 63.423 52.122 60.625 993 1HB CYS 127 2HB CYS 127 61.032 52.722 61.932 994 2HB CYS 127 1HB CYS 127 60.913 53.939 60.684 995 HG CYS 127 HG CYS 127 59.497 51.760 60.098 996 H ARG 128 H ARG 128 63.635 52.383 58.585 997 HA ARG 128 HA ARG 128 63.979 55.326 57.763 998 1HB ARG 128 2HB ARG 128 66.169 54.184 58.142 999 2HB ARG 128 1HB ARG 128 65.667 52.887 56.986 1000 1HG ARG 128 2HG ARG 128 66.658 53.986 55.349 1001 2HG ARG 128 1HG ARG 128 65.251 55.136 55.377 1002 1HD ARG 128 2HD ARG 128 67.393 56.438 55.499 1003 2HD ARG 128 1HD ARG 128 66.684 56.440 57.195 1004 HE ARG 128 HE ARG 128 68.530 55.365 57.893 1005 1HH1 ARG 128 2HH1 ARG 128 68.201 54.676 54.324 1006 2HH1 ARG 128 1HH1 ARG 128 69.684 53.790 54.266 1007 1HH2 ARG 128 2HH2 ARG 128 70.470 54.164 57.717 1008 2HH2 ARG 128 1HH2 ARG 128 70.968 53.504 56.182 1009 H GLN 129 H GLN 129 62.596 55.963 56.394 1010 HA GLN 129 HA GLN 129 61.803 53.889 54.310 1011 1HB GLN 129 2HB GLN 129 60.270 56.526 54.578 1012 2HB GLN 129 1HB GLN 129 59.723 54.884 54.047 1013 1HG GLN 129 2HG GLN 129 59.884 53.900 56.181 1014 2HG GLN 129 1HG GLN 129 60.573 55.419 56.947 1015 1HE2 GLN 129 2HE2 GLN 129 56.634 54.990 55.639 1016 2HE2 GLN 129 1HE2 GLN 129 57.990 54.102 54.899 1017 H VAL 130 H VAL 130 61.323 54.804 52.043 1018 HA VAL 130 HA VAL 130 63.806 56.507 51.441 1019 HB VAL 130 HB VAL 130 62.355 54.587 49.504 1020 1HG1 VAL 130 2HG1 VAL 130 64.739 56.355 49.401 1021 2HG1 VAL 130 1HG1 VAL 130 65.248 54.604 49.280 1022 3HG1 VAL 130 3HG1 VAL 130 64.019 55.225 48.119 1023 1HG2 VAL 130 2HG2 VAL 130 64.425 54.004 51.651 1024 2HG2 VAL 130 1HG2 VAL 130 62.870 53.195 51.323 1025 3HG2 VAL 130 3HG2 VAL 130 64.279 52.976 50.162 1026 H PHE 131 H PHE 131 60.605 55.576 50.404 1027 HA PHE 131 HA PHE 131 58.800 56.497 49.442 1028 1HB PHE 131 2HB PHE 131 60.345 58.849 50.443 1029 2HB PHE 131 1HB PHE 131 58.977 59.219 49.268 1030 HD1 PHE 131 HD1 PHE 131 59.691 56.941 52.233 1031 HD2 PHE 131 HD2 PHE 131 56.969 59.637 50.295 1032 HE1 PHE 131 HE1 PHE 131 58.100 56.577 54.128 1033 HE2 PHE 131 HE2 PHE 131 55.434 59.283 52.164 1034 HZ PHE 131 HZ PHE 131 55.936 57.786 54.084 1035 H LYS 132 H LYS 132 58.010 58.031 47.766 1036 HA LYS 132 HA LYS 132 59.842 58.733 45.564 1037 1HB LYS 132 2HB LYS 132 59.007 57.216 43.905 1038 2HB LYS 132 1HB LYS 132 59.289 56.201 45.380 1039 1HG LYS 132 2HG LYS 132 57.218 55.424 44.610 1040 2HG LYS 132 1HG LYS 132 56.565 56.654 45.763 1041 1HD LYS 132 2HD LYS 132 55.688 57.855 44.047 1042 2HD LYS 132 1HD LYS 132 57.257 57.787 43.122 1043 1HE LYS 132 2HE LYS 132 55.771 55.239 43.235 1044 2HE LYS 132 1HE LYS 132 54.703 56.494 42.563 1045 1HZ LYS 132 1HZ LYS 132 57.511 56.210 41.576 1046 2HZ LYS 132 3HZ LYS 132 56.359 55.203 40.990 1047 3HZ LYS 132 2HZ LYS 132 56.152 56.862 40.813 1048 H LYS 133 H LYS 133 59.150 60.536 45.011 1049 HA LYS 133 HA LYS 133 56.512 61.694 45.820 1050 1HB LYS 133 2HB LYS 133 58.678 63.028 45.068 1051 2HB LYS 133 1HB LYS 133 58.123 62.548 43.384 1052 1HG LYS 133 2HG LYS 133 56.124 63.678 43.588 1053 2HG LYS 133 1HG LYS 133 56.186 63.800 45.408 1054 1HD LYS 133 2HD LYS 133 56.598 66.018 44.139 1055 2HD LYS 133 1HD LYS 133 57.798 65.491 45.391 1056 1HE LYS 133 2HE LYS 133 59.358 64.687 43.861 1057 2HE LYS 133 1HE LYS 133 58.133 64.590 42.504 1058 1HZ LYS 133 2HZ LYS 133 58.578 67.277 43.553 1059 2HZ LYS 133 1HZ LYS 133 59.942 66.602 42.954 1060 3HZ LYS 133 3HZ LYS 133 58.613 66.748 41.947 1061 H LYS 134 H LYS 134 54.714 61.306 45.167 1062 HA LYS 134 HA LYS 134 53.357 59.647 43.896 1063 1HB LYS 134 2HB LYS 134 52.067 61.589 42.580 1064 2HB LYS 134 1HB LYS 134 52.388 61.799 44.355 1065 1HG LYS 134 2HG LYS 134 54.258 63.248 43.961 1066 2HG LYS 134 1HG LYS 134 54.113 63.023 42.126 1067 1HD LYS 134 2HD LYS 134 52.159 64.350 44.115 1068 2HD LYS 134 1HD LYS 134 53.080 65.139 42.753 1069 1HE LYS 134 2HE LYS 134 52.099 63.296 41.267 1070 2HE LYS 134 1HE LYS 134 50.809 63.121 42.579 1071 1HZ LYS 134 2HZ LYS 134 51.408 65.824 41.444 1072 2HZ LYS 134 1HZ LYS 134 50.354 64.752 40.660 1073 3HZ LYS 134 3HZ LYS 134 50.051 65.252 42.215 No H/Q in entry = 1073 Start of MODEL 10 1 1H MET 1 3H MET 1 58.124 73.657 46.961 2 2H MET 1 2H MET 1 57.295 74.265 45.588 3 3H MET 1 1H MET 1 58.925 73.888 45.573 4 HA MET 1 HA MET 1 58.832 76.328 45.823 5 1HB MET 1 2HB MET 1 56.339 75.600 47.148 6 2HB MET 1 1HB MET 1 57.428 76.280 48.424 7 1HG MET 1 2HG MET 1 57.901 77.973 46.181 8 2HG MET 1 1HG MET 1 56.230 77.633 45.983 9 1HE MET 1 2HE MET 1 58.064 80.187 46.689 10 2HE MET 1 1HE MET 1 56.411 80.878 46.986 11 3HE MET 1 3HE MET 1 57.796 80.874 48.229 12 H THR 2 H THR 2 59.125 77.304 48.399 13 HA THR 2 HA THR 2 61.744 76.176 49.023 14 HB THR 2 HB THR 2 59.836 77.591 50.988 15 HG1 THR 2 1HG THR 2 61.764 78.893 49.415 16 1HG2 THR 2 1HG2 THR 2 62.988 77.321 50.657 17 2HG2 THR 2 3HG2 THR 2 62.252 78.270 52.005 18 3HG2 THR 2 2HG2 THR 2 62.008 76.497 51.877 19 H LYS 3 H LYS 3 58.499 75.921 50.433 20 HA LYS 3 HA LYS 3 59.527 73.386 51.825 21 1HB LYS 3 2HB LYS 3 57.387 75.217 53.034 22 2HB LYS 3 1HB LYS 3 58.457 73.973 53.837 23 1HG LYS 3 2HG LYS 3 60.412 75.419 52.922 24 2HG LYS 3 1HG LYS 3 59.161 76.714 52.719 25 1HD LYS 3 2HD LYS 3 58.517 75.801 55.282 26 2HD LYS 3 1HD LYS 3 60.322 75.481 55.218 27 1HE LYS 3 2HE LYS 3 60.228 78.043 54.267 28 2HE LYS 3 1HE LYS 3 58.785 77.998 55.384 29 1HZ LYS 3 2HZ LYS 3 60.540 76.737 56.879 30 2HZ LYS 3 1HZ LYS 3 61.691 77.568 56.049 31 3HZ LYS 3 3HZ LYS 3 60.532 78.412 56.888 32 H ASP 4 H ASP 4 56.650 74.880 50.294 33 HA ASP 4 HA ASP 4 55.082 72.432 50.885 34 1HB ASP 4 2HB ASP 4 53.570 74.253 50.941 35 2HB ASP 4 1HB ASP 4 54.623 75.176 49.734 36 H GLN 5 H GLN 5 55.218 70.693 49.484 37 HA GLN 5 HA GLN 5 55.779 71.411 46.646 38 1HB GLN 5 2HB GLN 5 57.897 70.791 47.941 39 2HB GLN 5 1HB GLN 5 57.148 69.086 48.147 40 1HG GLN 5 2HG GLN 5 57.481 68.499 46.084 41 2HG GLN 5 1HG GLN 5 57.105 70.154 45.367 42 1HE2 GLN 5 1HE2 GLN 5 60.829 68.724 45.865 43 2HE2 GLN 5 2HE2 GLN 5 59.345 67.817 46.102 44 H ASN 6 H ASN 6 53.474 70.790 48.112 45 HA ASN 6 HA ASN 6 52.089 68.656 48.390 46 1HB ASN 6 2HB ASN 6 50.764 69.579 45.895 47 2HB ASN 6 1HB ASN 6 50.333 69.969 47.626 48 1HD2 ASN 6 2HD2 ASN 6 51.113 73.278 47.159 49 2HD2 ASN 6 1HD2 ASN 6 49.970 71.896 47.762 50 H GLY 7 H GLY 7 52.207 66.573 47.765 51 1HA GLY 7 1HA GLY 7 52.215 66.039 44.818 52 2HA GLY 7 2HA GLY 7 53.634 65.494 45.817 53 H THR 8 H THR 8 53.697 63.560 46.061 54 HA THR 8 HA THR 8 52.038 62.050 47.639 55 HB THR 8 HB THR 8 50.749 62.311 45.080 56 HG1 THR 8 1HG THR 8 49.586 60.553 46.052 57 1HG2 THR 8 2HG2 THR 8 52.669 60.454 44.353 58 2HG2 THR 8 1HG2 THR 8 52.027 59.497 45.727 59 3HG2 THR 8 3HG2 THR 8 50.962 59.834 44.276 60 H TRP 9 H TRP 9 52.737 60.098 47.896 61 HA TRP 9 HA TRP 9 55.045 59.054 46.386 62 1HB TRP 9 2HB TRP 9 56.006 59.264 49.144 63 2HB TRP 9 1HB TRP 9 56.869 59.525 47.572 64 HD1 TRP 9 HD1 TRP 9 53.984 61.654 49.121 65 HE1 TRP 9 HE1 TRP 9 54.606 64.160 49.289 66 HE3 TRP 9 HE3 TRP 9 58.478 61.032 47.510 67 HZ2 TRP 9 HZ2 TRP 9 56.928 65.519 48.687 68 HZ3 TRP 9 HZ3 TRP 9 59.982 62.984 47.278 69 HH2 TRP 9 HH2 TRP 9 59.239 65.135 47.844 70 H GLU 10 H GLU 10 54.604 57.054 46.117 71 HA GLU 10 HA GLU 10 53.042 55.297 47.442 72 1HB GLU 10 2HB GLU 10 55.879 54.640 46.421 73 2HB GLU 10 1HB GLU 10 54.496 53.483 46.572 74 1HG GLU 10 2HG GLU 10 53.345 55.489 45.064 75 2HG GLU 10 1HG GLU 10 55.141 55.623 44.584 76 H MET 11 H MET 11 56.356 56.050 48.318 77 HA MET 11 HA MET 11 57.544 55.791 50.433 78 1HB MET 11 2HB MET 11 54.862 55.491 51.238 79 2HB MET 11 1HB MET 11 55.492 53.817 51.470 80 1HG MET 11 2HG MET 11 56.915 54.394 53.205 81 2HG MET 11 1HG MET 11 57.244 55.982 52.471 82 1HE MET 11 1HE MET 11 55.889 53.948 55.098 83 2HE MET 11 3HE MET 11 56.338 55.449 56.007 84 3HE MET 11 2HE MET 11 54.701 54.907 56.061 85 H GLU 12 H GLU 12 57.623 54.389 48.008 86 HA GLU 12 HA GLU 12 58.079 52.309 47.024 87 1HB GLU 12 2HB GLU 12 60.147 54.038 47.747 88 2HB GLU 12 1HB GLU 12 60.731 52.400 48.358 89 1HG GLU 12 2HG GLU 12 60.039 51.490 46.063 90 2HG GLU 12 1HG GLU 12 59.749 53.264 45.563 91 H SER 13 H SER 13 59.876 52.116 50.127 92 HA SER 13 HA SER 13 58.328 49.661 50.882 93 1HB SER 13 2HB SER 13 61.132 49.658 49.755 94 2HB SER 13 1HB SER 13 60.892 48.798 51.412 95 HG SER 13 HG SER 13 59.207 48.375 49.243 96 H ASN 14 H ASN 14 58.794 48.888 52.797 97 HA ASN 14 HA ASN 14 59.832 50.964 54.711 98 1HB ASN 14 2HB ASN 14 57.669 48.810 55.396 99 2HB ASN 14 1HB ASN 14 58.102 50.422 56.241 100 1HD2 ASN 14 2HD2 ASN 14 55.178 50.497 53.677 101 2HD2 ASN 14 1HD2 ASN 14 55.684 49.122 54.842 102 H GLU 15 H GLU 15 61.488 50.622 55.633 103 HA GLU 15 HA GLU 15 62.689 48.028 55.761 104 1HB GLU 15 2HB GLU 15 63.385 50.748 56.292 105 2HB GLU 15 1HB GLU 15 63.509 50.033 57.959 106 1HG GLU 15 2HG GLU 15 64.835 48.890 55.462 107 2HG GLU 15 1HG GLU 15 65.642 49.653 56.997 108 H ASN 16 H ASN 16 61.052 50.055 58.188 109 HA ASN 16 HA ASN 16 60.606 47.612 59.895 110 1HB ASN 16 2HB ASN 16 61.800 50.313 60.542 111 2HB ASN 16 1HB ASN 16 60.480 49.616 61.718 112 1HD2 ASN 16 2HD2 ASN 16 63.941 48.473 62.694 113 2HD2 ASN 16 1HD2 ASN 16 63.249 50.171 62.189 114 H PHE 17 H PHE 17 58.660 47.245 59.335 115 HA PHE 17 HA PHE 17 56.601 49.440 59.668 116 1HB PHE 17 2HB PHE 17 56.100 48.293 57.707 117 2HB PHE 17 1HB PHE 17 56.717 46.680 58.312 118 HD1 PHE 17 HD1 PHE 17 53.848 49.112 58.599 119 HD2 PHE 17 HD2 PHE 17 55.339 45.126 59.326 120 HE1 PHE 17 HE1 PHE 17 51.638 48.313 59.247 121 HE2 PHE 17 HE2 PHE 17 53.132 44.340 59.973 122 HZ PHE 17 HZ PHE 17 51.211 45.871 59.967 123 H GLU 18 H GLU 18 57.088 45.970 60.364 124 HA GLU 18 HA GLU 18 55.125 45.785 62.562 125 1HB GLU 18 2HB GLU 18 57.043 44.119 61.022 126 2HB GLU 18 1HB GLU 18 57.264 43.900 62.838 127 1HG GLU 18 2HG GLU 18 55.528 42.650 63.011 128 2HG GLU 18 1HG GLU 18 54.435 43.862 62.018 129 H GLY 19 H GLY 19 58.666 45.890 62.556 130 1HA GLY 19 1HA GLY 19 58.782 45.810 65.423 131 2HA GLY 19 2HA GLY 19 60.125 46.399 64.351 132 H TYR 20 H TYR 20 58.106 48.484 63.214 133 HA TYR 20 HA TYR 20 58.875 50.639 65.016 134 1HB TYR 20 2HB TYR 20 58.600 51.238 62.796 135 2HB TYR 20 1HB TYR 20 57.142 50.159 62.570 136 HD1 TYR 20 HD2 TYR 20 57.555 52.606 65.280 137 HD2 TYR 20 HD1 TYR 20 55.848 51.702 61.503 138 HE1 TYR 20 HE2 TYR 20 56.099 54.634 65.511 139 HE2 TYR 20 HE1 TYR 20 54.344 53.681 61.623 140 HH TYR 20 HH TYR 20 53.736 55.396 62.913 141 H MET 21 H MET 21 55.825 48.766 64.379 142 HA MET 21 HA MET 21 54.312 50.241 66.375 143 1HB MET 21 2HB MET 21 54.134 47.682 64.608 144 2HB MET 21 1HB MET 21 52.991 47.909 65.934 145 1HG MET 21 2HG MET 21 51.815 49.583 64.807 146 2HG MET 21 1HG MET 21 53.307 50.453 64.370 147 1HE MET 21 2HE MET 21 51.657 47.098 64.071 148 2HE MET 21 1HE MET 21 51.098 46.944 62.357 149 3HE MET 21 3HE MET 21 52.697 46.390 62.911 150 H LYS 22 H LYS 22 56.421 47.721 66.225 151 HA LYS 22 HA LYS 22 55.783 46.412 68.744 152 1HB LYS 22 2HB LYS 22 57.141 45.495 66.445 153 2HB LYS 22 1HB LYS 22 58.538 46.126 67.409 154 1HG LYS 22 2HG LYS 22 58.218 44.679 69.139 155 2HG LYS 22 1HG LYS 22 56.425 44.448 68.715 156 1HD LYS 22 2HD LYS 22 57.796 42.368 68.097 157 2HD LYS 22 1HD LYS 22 57.135 43.230 66.611 158 1HE LYS 22 2HE LYS 22 59.214 43.691 65.834 159 2HE LYS 22 1HE LYS 22 59.681 44.389 67.481 160 1HZ LYS 22 1HZ LYS 22 59.774 41.772 67.889 161 2HZ LYS 22 3HZ LYS 22 60.191 41.778 66.272 162 3HZ LYS 22 2HZ LYS 22 61.076 42.687 67.349 163 H ALA 23 H ALA 23 57.756 48.984 67.658 164 HA ALA 23 HA ALA 23 59.657 48.934 69.778 165 1HB ALA 23 1HB ALA 23 59.421 50.387 67.467 166 2HB ALA 23 3HB ALA 23 58.954 51.649 68.674 167 3HB ALA 23 2HB ALA 23 60.554 50.814 68.844 168 H LEU 24 H LEU 24 56.699 50.718 69.216 169 HA LEU 24 HA LEU 24 56.651 51.792 72.062 170 1HB LEU 24 2HB LEU 24 54.214 52.577 71.221 171 2HB LEU 24 1HB LEU 24 55.631 53.402 70.527 172 HG LEU 24 HG LEU 24 54.716 50.978 68.933 173 1HD1 LEU 24 1HD1 LEU 24 52.740 52.536 69.948 174 2HD1 LEU 24 3HD1 LEU 24 53.268 53.506 68.502 175 3HD1 LEU 24 2HD1 LEU 24 52.687 51.773 68.314 176 1HD2 LEU 24 2HD2 LEU 24 56.643 52.586 68.296 177 2HD2 LEU 24 1HD2 LEU 24 55.291 52.466 67.077 178 3HD2 LEU 24 3HD2 LEU 24 55.404 53.881 68.224 179 H ASP 25 H ASP 25 55.986 49.185 70.199 180 HA ASP 25 HA ASP 25 54.678 47.176 70.402 181 1HB ASP 25 2HB ASP 25 56.373 46.887 72.215 182 2HB ASP 25 1HB ASP 25 55.294 47.844 73.347 183 H ILE 26 H ILE 26 53.105 48.285 69.489 184 HA ILE 26 HA ILE 26 50.960 49.364 71.212 185 HB ILE 26 HB ILE 26 51.408 50.279 68.901 186 1HG1 ILE 26 2HG1 ILE 26 48.759 48.760 69.041 187 2HG1 ILE 26 1HG1 ILE 26 49.119 50.380 69.854 188 1HG2 ILE 26 1HG2 ILE 26 51.963 47.823 67.973 189 2HG2 ILE 26 3HG2 ILE 26 50.137 47.704 67.775 190 3HG2 ILE 26 2HG2 ILE 26 51.079 48.936 66.872 191 1HD1 ILE 26 2HD1 ILE 26 50.018 51.002 67.333 192 2HD1 ILE 26 1HD1 ILE 26 48.826 49.775 66.860 193 3HD1 ILE 26 3HD1 ILE 26 48.285 51.206 67.833 194 H ASP 27 H ASP 27 52.020 46.358 70.006 195 HA ASP 27 HA ASP 27 49.904 45.076 71.438 196 1HB ASP 27 2HB ASP 27 48.930 45.936 69.007 197 2HB ASP 27 1HB ASP 27 49.512 44.182 68.588 198 H PHE 28 H PHE 28 49.667 42.587 70.500 199 HA PHE 28 HA PHE 28 52.500 41.649 70.124 200 1HB PHE 28 2HB PHE 28 50.073 40.477 71.633 201 2HB PHE 28 1HB PHE 28 51.717 39.665 71.508 202 HD1 PHE 28 HD1 PHE 28 49.743 42.505 72.782 203 HD2 PHE 28 HD2 PHE 28 53.590 40.577 72.915 204 HE1 PHE 28 HE1 PHE 28 50.351 43.946 74.722 205 HE2 PHE 28 HE2 PHE 28 54.192 41.979 74.805 206 HZ PHE 28 HZ PHE 28 52.581 43.691 75.749 207 H ALA 29 H ALA 29 52.279 41.528 67.884 208 HA ALA 29 HA ALA 29 51.968 40.464 65.819 209 1HB ALA 29 2HB ALA 29 51.001 38.229 67.704 210 2HB ALA 29 1HB ALA 29 51.527 37.940 65.981 211 3HB ALA 29 3HB ALA 29 52.751 38.440 67.219 212 H THR 30 H THR 30 50.283 42.224 66.563 213 HA THR 30 HA THR 30 47.562 41.106 66.214 214 HB THR 30 HB THR 30 48.258 43.027 67.760 215 HG1 THR 30 1HG THR 30 46.069 42.970 65.972 216 1HG2 THR 30 1HG2 THR 30 49.123 44.297 65.439 217 2HG2 THR 30 3HG2 THR 30 47.344 44.783 65.463 218 3HG2 THR 30 2HG2 THR 30 48.465 45.216 66.840 219 H ARG 31 H ARG 31 50.072 42.594 64.590 220 HA ARG 31 HA ARG 31 48.886 43.671 62.137 221 1HB ARG 31 2HB ARG 31 51.230 43.942 61.469 222 2HB ARG 31 1HB ARG 31 51.032 44.427 63.169 223 1HG ARG 31 2HG ARG 31 51.653 41.539 63.207 224 2HG ARG 31 1HG ARG 31 52.890 42.504 62.233 225 1HD ARG 31 2HD ARG 31 53.168 43.973 64.125 226 2HD ARG 31 1HD ARG 31 51.796 43.232 65.074 227 HE ARG 31 HE ARG 31 53.550 41.163 64.414 228 1HH1 ARG 31 2HH1 ARG 31 53.368 44.235 66.296 229 2HH1 ARG 31 1HH1 ARG 31 54.446 43.748 67.595 230 1HH2 ARG 31 1HH2 ARG 31 55.134 40.492 66.357 231 2HH2 ARG 31 2HH2 ARG 31 55.373 41.740 67.568 232 H LYS 32 H LYS 32 51.190 42.104 60.611 233 HA LYS 32 HA LYS 32 51.462 40.141 59.573 234 1HB LYS 32 2HB LYS 32 50.879 38.282 60.587 235 2HB LYS 32 1HB LYS 32 50.096 39.329 61.824 236 1HG LYS 32 2HG LYS 32 47.836 39.010 60.794 237 2HG LYS 32 1HG LYS 32 48.552 38.101 59.410 238 1HD LYS 32 2HD LYS 32 49.480 37.041 62.063 239 2HD LYS 32 1HD LYS 32 47.743 36.861 61.611 240 1HE LYS 32 2HE LYS 32 48.630 36.106 59.268 241 2HE LYS 32 1HE LYS 32 50.189 35.775 60.119 242 1HZ LYS 32 3HZ LYS 32 48.327 34.830 61.819 243 2HZ LYS 32 2HZ LYS 32 47.759 34.331 60.345 244 3HZ LYS 32 1HZ LYS 32 49.292 33.890 60.889 245 H ILE 33 H ILE 33 49.272 42.338 59.399 246 HA ILE 33 HA ILE 33 48.370 41.265 56.741 247 HB ILE 33 HB ILE 33 46.133 42.705 57.173 248 1HG1 ILE 33 2HG1 ILE 33 47.251 43.208 59.636 249 2HG1 ILE 33 1HG1 ILE 33 45.466 43.145 59.228 250 1HG2 ILE 33 1HG2 ILE 33 46.738 39.830 58.137 251 2HG2 ILE 33 3HG2 ILE 33 45.103 40.541 58.369 252 3HG2 ILE 33 2HG2 ILE 33 45.788 40.418 56.699 253 1HD1 ILE 33 1HD1 ILE 33 46.891 40.558 60.071 254 2HD1 ILE 33 3HD1 ILE 33 46.470 41.802 61.308 255 3HD1 ILE 33 2HD1 ILE 33 45.153 41.085 60.280 256 H ALA 34 H ALA 34 49.277 44.125 58.609 257 HA ALA 34 HA ALA 34 48.567 46.067 56.432 258 1HB ALA 34 3HB ALA 34 49.406 46.123 59.310 259 2HB ALA 34 2HB ALA 34 50.022 47.460 58.224 260 3HB ALA 34 1HB ALA 34 48.239 47.144 58.424 261 H VAL 35 H VAL 35 50.706 43.785 56.560 262 HA VAL 35 HA VAL 35 53.324 44.649 56.395 263 HB VAL 35 HB VAL 35 52.014 43.023 54.165 264 1HG1 VAL 35 3HG1 VAL 35 54.715 43.256 55.555 265 2HG1 VAL 35 2HG1 VAL 35 54.358 41.631 54.947 266 3HG1 VAL 35 1HG1 VAL 35 54.347 43.038 53.779 267 1HG2 VAL 35 1HG2 VAL 35 52.194 42.305 57.103 268 2HG2 VAL 35 3HG2 VAL 35 51.010 41.762 55.865 269 3HG2 VAL 35 2HG2 VAL 35 52.692 41.002 55.949 270 H ARG 36 H ARG 36 50.751 44.823 54.162 271 HA ARG 36 HA ARG 36 51.317 47.246 52.760 272 1HB ARG 36 2HB ARG 36 53.392 45.893 51.932 273 2HB ARG 36 1HB ARG 36 52.159 44.832 51.135 274 1HG ARG 36 2HG ARG 36 52.449 46.391 49.399 275 2HG ARG 36 1HG ARG 36 51.240 47.332 50.422 276 1HD ARG 36 2HD ARG 36 52.690 48.962 50.453 277 2HD ARG 36 1HD ARG 36 53.516 47.990 51.716 278 HE ARG 36 HE ARG 36 55.017 47.034 49.931 279 1HH1 ARG 36 1HH2 ARG 36 53.284 50.120 49.031 280 2HH1 ARG 36 2HH2 ARG 36 54.465 50.470 47.781 281 1HH2 ARG 36 1HH1 ARG 36 56.418 47.604 48.304 282 2HH2 ARG 36 2HH1 ARG 36 56.208 49.079 47.353 283 H LEU 37 H LEU 37 49.465 47.810 52.232 284 HA LEU 37 HA LEU 37 48.036 46.233 50.247 285 1HB LEU 37 2HB LEU 37 45.806 46.538 51.504 286 2HB LEU 37 1HB LEU 37 46.954 45.325 52.250 287 HG LEU 37 HG LEU 37 47.237 48.159 53.252 288 1HD1 LEU 37 2HD1 LEU 37 44.667 47.592 52.833 289 2HD1 LEU 37 1HD1 LEU 37 44.854 46.691 54.409 290 3HD1 LEU 37 3HD1 LEU 37 45.288 48.460 54.291 291 1HD2 LEU 37 2HD2 LEU 37 47.213 45.224 54.232 292 2HD2 LEU 37 1HD2 LEU 37 48.436 46.506 54.581 293 3HD2 LEU 37 3HD2 LEU 37 46.853 46.543 55.428 294 H THR 38 H THR 38 49.549 48.025 49.701 295 HA THR 38 HA THR 38 49.734 49.995 48.579 296 HB THR 38 HB THR 38 46.698 50.090 48.965 297 HG1 THR 38 1HG THR 38 47.723 49.480 46.526 298 1HG2 THR 38 2HG2 THR 38 47.811 52.338 48.055 299 2HG2 THR 38 1HG2 THR 38 48.570 51.285 46.792 300 3HG2 THR 38 3HG2 THR 38 46.744 51.494 46.872 301 H GLN 39 H GLN 39 50.346 52.162 49.188 302 HA GLN 39 HA GLN 39 49.269 52.892 51.918 303 1HB GLN 39 2HB GLN 39 51.465 51.907 52.077 304 2HB GLN 39 1HB GLN 39 52.141 53.048 50.813 305 1HG GLN 39 2HG GLN 39 52.264 54.813 52.241 306 2HG GLN 39 1HG GLN 39 50.604 54.349 52.981 307 1HE2 GLN 39 2HE2 GLN 39 54.232 52.813 54.354 308 2HE2 GLN 39 1HE2 GLN 39 53.980 53.471 52.707 309 H THR 40 H THR 40 51.354 54.272 49.518 310 HA THR 40 HA THR 40 51.592 56.413 48.625 311 HB THR 40 HB THR 40 48.549 56.299 48.981 312 HG1 THR 40 1HG THR 40 48.713 55.556 46.968 313 1HG2 THR 40 3HG2 THR 40 50.289 58.690 48.154 314 2HG2 THR 40 2HG2 THR 40 48.744 58.380 47.204 315 3HG2 THR 40 1HG2 THR 40 48.754 58.596 49.024 316 H LYS 41 H LYS 41 52.630 57.675 49.731 317 HA LYS 41 HA LYS 41 51.277 58.920 52.176 318 1HB LYS 41 2HB LYS 41 53.680 58.125 52.600 319 2HB LYS 41 1HB LYS 41 54.246 59.044 51.122 320 1HG LYS 41 2HG LYS 41 52.805 60.608 53.229 321 2HG LYS 41 1HG LYS 41 54.431 59.950 53.644 322 1HD LYS 41 2HD LYS 41 55.011 61.055 51.159 323 2HD LYS 41 1HD LYS 41 53.577 62.063 51.533 324 1HE LYS 41 2HE LYS 41 55.969 62.842 52.218 325 2HE LYS 41 1HE LYS 41 54.415 63.138 53.223 326 1HZ LYS 41 1HZ LYS 41 56.346 60.886 53.595 327 2HZ LYS 41 3HZ LYS 41 56.572 62.356 54.382 328 3HZ LYS 41 2HZ LYS 41 55.173 61.485 54.662 329 H ILE 42 H ILE 42 51.057 61.149 52.353 330 HA ILE 42 HA ILE 42 51.727 62.679 49.810 331 HB ILE 42 HB ILE 42 48.880 62.763 51.042 332 1HG1 ILE 42 2HG1 ILE 42 49.146 62.297 48.203 333 2HG1 ILE 42 1HG1 ILE 42 49.956 60.906 49.113 334 1HG2 ILE 42 3HG2 ILE 42 50.112 64.395 48.736 335 2HG2 ILE 42 2HG2 ILE 42 48.365 64.137 49.074 336 3HG2 ILE 42 1HG2 ILE 42 49.399 64.898 50.317 337 1HD1 ILE 42 1HD1 ILE 42 47.682 61.230 50.644 338 2HD1 ILE 42 3HD1 ILE 42 47.038 61.896 49.102 339 3HD1 ILE 42 2HD1 ILE 42 47.599 60.188 49.188 340 H ILE 43 H ILE 43 51.632 64.850 49.925 341 HA ILE 43 HA ILE 43 52.156 65.949 52.758 342 HB ILE 43 HB ILE 43 54.064 65.321 51.535 343 1HG1 ILE 43 2HG1 ILE 43 53.951 68.387 51.332 344 2HG1 ILE 43 1HG1 ILE 43 53.676 67.562 52.922 345 1HG2 ILE 43 1HG2 ILE 43 53.239 65.609 49.127 346 2HG2 ILE 43 3HG2 ILE 43 53.291 67.456 49.399 347 3HG2 ILE 43 2HG2 ILE 43 54.796 66.480 49.417 348 1HD1 ILE 43 3HD1 ILE 43 56.052 66.611 51.266 349 2HD1 ILE 43 2HD1 ILE 43 56.173 68.274 51.958 350 3HD1 ILE 43 1HD1 ILE 43 55.810 66.878 53.061 351 H VAL 44 H VAL 44 50.939 67.638 53.138 352 HA VAL 44 HA VAL 44 49.914 69.401 50.812 353 HB VAL 44 HB VAL 44 48.486 68.618 53.380 354 1HG1 VAL 44 1HG1 VAL 44 47.956 70.594 51.165 355 2HG1 VAL 44 3HG1 VAL 44 46.556 69.897 52.095 356 3HG1 VAL 44 2HG1 VAL 44 47.894 70.730 52.978 357 1HG2 VAL 44 3HG2 VAL 44 48.098 67.585 50.450 358 2HG2 VAL 44 2HG2 VAL 44 47.925 66.708 52.019 359 3HG2 VAL 44 1HG2 VAL 44 46.606 67.834 51.497 360 H GLN 45 H GLN 45 50.472 71.338 51.119 361 HA GLN 45 HA GLN 45 50.673 72.490 53.875 362 1HB GLN 45 2HB GLN 45 52.658 72.329 51.581 363 2HB GLN 45 1HB GLN 45 52.638 73.843 52.604 364 1HG GLN 45 2HG GLN 45 54.047 72.549 53.982 365 2HG GLN 45 1HG GLN 45 52.402 71.736 54.448 366 1HE2 GLN 45 1HE2 GLN 45 55.183 69.915 52.095 367 2HE2 GLN 45 2HE2 GLN 45 55.384 71.667 52.706 368 H ASP 46 H ASP 46 48.737 73.465 53.712 369 HA ASP 46 HA ASP 46 48.252 75.205 51.432 370 1HB ASP 46 2HB ASP 46 46.333 74.613 52.599 371 2HB ASP 46 1HB ASP 46 47.071 74.980 54.242 372 H GLY 47 H GLY 47 49.118 76.020 54.759 373 1HA GLY 47 1HA GLY 47 51.053 78.084 54.101 374 2HA GLY 47 2HA GLY 47 49.444 78.884 54.540 375 H ASP 48 H ASP 48 52.323 77.563 55.691 376 HA ASP 48 HA ASP 48 53.101 77.357 57.936 377 1HB ASP 48 2HB ASP 48 50.533 78.723 58.886 378 2HB ASP 48 1HB ASP 48 52.315 79.011 59.458 379 H ASN 49 H ASN 49 51.085 75.746 56.639 380 HA ASN 49 HA ASN 49 50.218 74.047 58.949 381 1HB ASN 49 2HB ASN 49 48.538 74.954 56.509 382 2HB ASN 49 1HB ASN 49 48.293 73.309 57.282 383 1HD2 ASN 49 1HD2 ASN 49 47.402 76.804 59.254 384 2HD2 ASN 49 2HD2 ASN 49 48.730 76.692 57.901 385 H PHE 50 H PHE 50 50.142 71.830 58.478 386 HA PHE 50 HA PHE 50 51.310 70.884 55.940 387 1HB PHE 50 2HB PHE 50 53.281 71.612 57.264 388 2HB PHE 50 1HB PHE 50 52.765 70.591 58.650 389 HD1 PHE 50 HD1 PHE 50 52.743 67.933 58.310 390 HD2 PHE 50 HD2 PHE 50 54.182 70.770 55.395 391 HE1 PHE 50 HE1 PHE 50 53.892 66.168 57.025 392 HE2 PHE 50 HE2 PHE 50 55.315 68.974 54.135 393 HZ PHE 50 HZ PHE 50 55.120 66.638 55.027 394 H LYS 51 H LYS 51 49.532 69.431 55.560 395 HA LYS 51 HA LYS 51 49.357 67.515 57.825 396 1HB LYS 51 2HB LYS 51 47.149 68.137 55.762 397 2HB LYS 51 1HB LYS 51 46.964 67.123 57.274 398 1HG LYS 51 2HG LYS 51 46.944 69.142 58.636 399 2HG LYS 51 1HG LYS 51 47.715 70.133 57.353 400 1HD LYS 51 2HD LYS 51 45.744 69.417 55.895 401 2HD LYS 51 1HD LYS 51 44.918 68.796 57.389 402 1HE LYS 51 2HE LYS 51 45.968 71.419 57.997 403 2HE LYS 51 1HE LYS 51 45.134 71.539 56.333 404 1HZ LYS 51 1HZ LYS 51 43.769 70.242 58.556 405 2HZ LYS 51 3HZ LYS 51 43.906 71.875 58.661 406 3HZ LYS 51 2HZ LYS 51 43.123 71.150 57.316 407 H THR 52 H THR 52 51.150 66.480 56.771 408 HA THR 52 HA THR 52 50.867 65.401 54.107 409 HB THR 52 HB THR 52 52.597 64.890 56.530 410 HG1 THR 52 1HG THR 52 52.976 64.379 53.823 411 1HG2 THR 52 1HG2 THR 52 51.770 62.428 54.776 412 2HG2 THR 52 3HG2 THR 52 53.333 62.592 55.698 413 3HG2 THR 52 2HG2 THR 52 51.789 62.547 56.574 414 H LYS 53 H LYS 53 49.866 63.411 53.346 415 HA LYS 53 HA LYS 53 48.442 61.958 55.571 416 1HB LYS 53 2HB LYS 53 46.125 62.435 54.572 417 2HB LYS 53 1HB LYS 53 47.028 63.969 54.752 418 1HG LYS 53 2HG LYS 53 47.256 64.286 52.521 419 2HG LYS 53 1HG LYS 53 47.222 62.467 52.115 420 1HD LYS 53 2HD LYS 53 44.806 63.941 53.235 421 2HD LYS 53 1HD LYS 53 45.193 63.745 51.415 422 1HE LYS 53 2HE LYS 53 45.094 61.337 53.340 423 2HE LYS 53 1HE LYS 53 43.635 61.996 52.433 424 1HZ LYS 53 1HZ LYS 53 45.839 61.858 50.754 425 2HZ LYS 53 3HZ LYS 53 45.562 60.304 51.371 426 3HZ LYS 53 2HZ LYS 53 44.396 61.135 50.518 427 H THR 54 H THR 54 47.566 60.016 55.084 428 HA THR 54 HA THR 54 48.865 58.841 52.652 429 HB THR 54 HB THR 54 49.757 58.043 54.754 430 HG1 THR 54 1HG THR 54 50.130 56.257 53.907 431 1HG2 THR 54 2HG2 THR 54 47.303 57.801 55.866 432 2HG2 THR 54 1HG2 THR 54 47.309 56.227 54.976 433 3HG2 THR 54 3HG2 THR 54 48.551 56.594 56.275 434 H ASN 55 H ASN 55 47.944 57.123 51.567 435 HA ASN 55 HA ASN 55 44.927 56.981 51.617 436 1HB ASN 55 2HB ASN 55 46.203 58.555 49.969 437 2HB ASN 55 1HB ASN 55 46.406 57.003 48.968 438 1HD2 ASN 55 1HD2 ASN 55 42.657 58.625 49.832 439 2HD2 ASN 55 2HD2 ASN 55 44.208 58.871 50.916 440 H SER 56 H SER 56 46.248 55.315 52.941 441 HA SER 56 HA SER 56 47.225 52.859 51.690 442 1HB SER 56 2HB SER 56 47.018 51.995 54.108 443 2HB SER 56 1HB SER 56 48.107 53.453 53.832 444 HG SER 56 HG SER 56 46.131 53.290 55.465 445 H THR 57 H THR 57 44.819 52.481 54.174 446 HA THR 57 HA THR 57 42.411 51.996 53.127 447 HB THR 57 HB THR 57 42.783 49.340 52.681 448 HG1 THR 57 1HG THR 57 44.396 49.154 51.066 449 1HG2 THR 57 1HG2 THR 57 42.719 51.633 50.581 450 2HG2 THR 57 3HG2 THR 57 42.496 49.849 50.141 451 3HG2 THR 57 2HG2 THR 57 41.358 50.686 51.220 452 H PHE 58 H PHE 58 45.284 50.679 54.522 453 HA PHE 58 HA PHE 58 43.654 49.208 56.520 454 1HB PHE 58 2HB PHE 58 45.722 48.591 57.799 455 2HB PHE 58 1HB PHE 58 45.500 47.939 56.126 456 HD1 PHE 58 HD1 PHE 58 46.911 49.795 54.260 457 HD2 PHE 58 HD2 PHE 58 47.760 49.026 58.439 458 HE1 PHE 58 HE1 PHE 58 49.246 50.508 53.925 459 HE2 PHE 58 HE2 PHE 58 50.048 49.737 58.094 460 HZ PHE 58 HZ PHE 58 50.776 50.461 55.843 461 H ARG 59 H ARG 59 46.208 51.589 56.649 462 HA ARG 59 HA ARG 59 44.578 52.992 58.842 463 1HB ARG 59 2HB ARG 59 47.139 51.625 59.412 464 2HB ARG 59 1HB ARG 59 47.105 53.419 59.867 465 1HG ARG 59 2HG ARG 59 46.054 52.726 61.738 466 2HG ARG 59 1HG ARG 59 44.585 52.490 60.662 467 1HD ARG 59 2HD ARG 59 44.889 50.221 60.531 468 2HD ARG 59 1HD ARG 59 46.646 50.345 60.988 469 HE ARG 59 HE ARG 59 44.293 50.416 62.819 470 1HH1 ARG 59 2HH1 ARG 59 47.907 50.838 62.431 471 2HH1 ARG 59 1HH1 ARG 59 48.213 50.739 64.124 472 1HH2 ARG 59 1HH2 ARG 59 44.784 50.292 65.019 473 2HH2 ARG 59 2HH2 ARG 59 46.390 50.405 65.637 474 H ASN 60 H ASN 60 44.031 54.504 57.831 475 HA ASN 60 HA ASN 60 45.869 56.278 56.339 476 1HB ASN 60 2HB ASN 60 42.884 56.014 57.001 477 2HB ASN 60 1HB ASN 60 43.508 57.637 56.377 478 1HD2 ASN 60 2HD2 ASN 60 42.196 55.234 53.690 479 2HD2 ASN 60 1HD2 ASN 60 41.623 55.708 55.299 480 H TYR 61 H TYR 61 47.095 56.301 58.308 481 HA TYR 61 HA TYR 61 46.061 58.332 60.217 482 1HB TYR 61 2HB TYR 61 48.029 56.163 60.264 483 2HB TYR 61 1HB TYR 61 48.636 57.650 61.195 484 HD1 TYR 61 HD2 TYR 61 47.067 58.593 63.069 485 HD2 TYR 61 HD1 TYR 61 46.366 54.870 60.965 486 HE1 TYR 61 HE2 TYR 61 45.485 57.932 64.794 487 HE2 TYR 61 HE1 TYR 61 44.758 54.171 62.678 488 HH TYR 61 HH TYR 61 44.493 54.836 65.271 489 H ASP 62 H ASP 62 46.093 59.932 58.683 490 HA ASP 62 HA ASP 62 48.508 60.906 57.352 491 1HB ASP 62 2HB ASP 62 46.974 62.864 56.841 492 2HB ASP 62 1HB ASP 62 46.413 61.171 56.260 493 H LEU 63 H LEU 63 49.944 62.429 57.870 494 HA LEU 63 HA LEU 63 50.075 63.542 60.477 495 1HB LEU 63 2HB LEU 63 51.492 63.812 57.985 496 2HB LEU 63 1HB LEU 63 50.864 65.485 58.380 497 HG LEU 63 HG LEU 63 51.864 65.336 60.632 498 1HD1 LEU 63 3HD1 LEU 63 52.381 62.482 59.701 499 2HD1 LEU 63 2HD1 LEU 63 53.565 63.250 60.812 500 3HD1 LEU 63 1HD1 LEU 63 51.808 63.057 61.303 501 1HD2 LEU 63 2HD2 LEU 63 53.711 64.651 58.229 502 2HD2 LEU 63 1HD2 LEU 63 53.390 66.259 58.939 503 3HD2 LEU 63 3HD2 LEU 63 54.351 65.028 59.906 504 H ASP 64 H ASP 64 48.577 64.889 61.461 505 HA ASP 64 HA ASP 64 47.377 67.059 59.661 506 1HB ASP 64 2HB ASP 64 45.959 64.937 60.027 507 2HB ASP 64 1HB ASP 64 45.765 65.509 61.804 508 H PHE 65 H PHE 65 48.960 68.352 60.476 509 HA PHE 65 HA PHE 65 47.909 69.927 62.629 510 1HB PHE 65 2HB PHE 65 50.032 69.613 64.176 511 2HB PHE 65 1HB PHE 65 48.658 68.401 64.266 512 HD1 PHE 65 HD1 PHE 65 52.027 69.065 62.657 513 HD2 PHE 65 HD2 PHE 65 49.101 66.210 64.049 514 HE1 PHE 65 HE1 PHE 65 53.617 67.327 62.263 515 HE2 PHE 65 HE2 PHE 65 50.741 64.403 63.652 516 HZ PHE 65 HZ PHE 65 53.006 64.913 62.767 517 H THR 66 H THR 66 48.811 71.796 62.909 518 HA THR 66 HA THR 66 50.417 72.840 60.644 519 HB THR 66 HB THR 66 48.657 73.743 62.900 520 HG1 THR 66 1HG THR 66 48.408 75.382 61.420 521 1HG2 THR 66 3HG2 THR 66 51.141 75.464 62.026 522 2HG2 THR 66 2HG2 THR 66 49.722 76.138 62.832 523 3HG2 THR 66 1HG2 THR 66 50.790 75.001 63.746 524 H VAL 67 H VAL 67 52.230 74.159 60.958 525 HA VAL 67 HA VAL 67 54.225 72.635 62.565 526 HB VAL 67 HB VAL 67 54.611 73.619 60.259 527 1HG1 VAL 67 1HG1 VAL 67 54.674 76.244 61.908 528 2HG1 VAL 67 3HG1 VAL 67 55.212 76.020 60.152 529 3HG1 VAL 67 2HG1 VAL 67 53.431 75.820 60.653 530 1HG2 VAL 67 1HG2 VAL 67 56.296 73.036 62.052 531 2HG2 VAL 67 3HG2 VAL 67 56.882 74.098 60.778 532 3HG2 VAL 67 2HG2 VAL 67 56.455 74.808 62.446 533 H GLY 68 H GLY 68 55.302 73.128 64.264 534 1HA GLY 68 1HA GLY 68 55.618 74.148 66.318 535 2HA GLY 68 2HA GLY 68 55.343 75.754 65.375 536 H VAL 69 H VAL 69 52.674 73.530 65.473 537 HA VAL 69 HA VAL 69 51.298 75.480 67.266 538 HB VAL 69 HB VAL 69 50.701 73.447 65.265 539 1HG1 VAL 69 1HG1 VAL 69 50.548 71.779 67.107 540 2HG1 VAL 69 3HG1 VAL 69 49.201 72.818 67.880 541 3HG1 VAL 69 2HG1 VAL 69 48.971 72.016 66.296 542 1HG2 VAL 69 1HG2 VAL 69 48.834 75.169 67.022 543 2HG2 VAL 69 3HG2 VAL 69 49.425 75.589 65.338 544 3HG2 VAL 69 2HG2 VAL 69 48.250 74.206 65.664 545 H GLU 70 H GLU 70 53.066 72.577 67.254 546 HA GLU 70 HA GLU 70 53.692 71.222 69.101 547 1HB GLU 70 2HB GLU 70 52.840 73.613 70.419 548 2HB GLU 70 1HB GLU 70 52.180 72.121 71.335 549 1HG GLU 70 2HG GLU 70 54.314 71.271 71.756 550 2HG GLU 70 1HG GLU 70 55.085 72.448 70.490 551 H PHE 71 H PHE 71 53.054 69.366 69.615 552 HA PHE 71 HA PHE 71 50.012 68.979 69.394 553 1HB PHE 71 2HB PHE 71 51.817 67.599 67.918 554 2HB PHE 71 1HB PHE 71 51.665 66.461 69.326 555 HD1 PHE 71 HD2 PHE 71 49.234 68.680 67.478 556 HD2 PHE 71 HD1 PHE 71 50.130 64.809 68.997 557 HE1 PHE 71 HE2 PHE 71 47.074 67.887 66.657 558 HE2 PHE 71 HE1 PHE 71 47.996 63.965 68.192 559 HZ PHE 71 HZ PHE 71 46.396 65.528 66.983 560 H ASP 72 H ASP 72 51.560 69.849 71.676 561 HA ASP 72 HA ASP 72 52.367 68.616 73.731 562 1HB ASP 72 2HB ASP 72 50.007 70.465 73.420 563 2HB ASP 72 1HB ASP 72 50.302 69.815 75.146 564 H GLU 73 H GLU 73 52.218 66.461 73.621 565 HA GLU 73 HA GLU 73 51.355 64.286 74.367 566 1HB GLU 73 2HB GLU 73 49.535 66.040 76.056 567 2HB GLU 73 1HB GLU 73 49.969 64.304 76.287 568 1HG GLU 73 2HG GLU 73 51.573 65.149 77.672 569 2HG GLU 73 1HG GLU 73 52.489 65.486 76.062 570 H HIS 74 H HIS 74 49.595 63.089 74.693 571 HA HIS 74 HA HIS 74 47.734 61.974 74.053 572 1HB HIS 74 2HB HIS 74 46.687 64.567 72.661 573 2HB HIS 74 1HB HIS 74 45.772 63.243 73.445 574 HD1 HIS 74 HD1 HIS 74 48.044 63.307 76.006 575 HD2 HIS 74 HD2 HIS 74 45.531 66.296 74.462 576 HE1 HIS 74 HE1 HIS 74 47.728 65.068 77.903 577 HE2 HIS 74 HE2 HIS 74 46.191 66.837 76.910 578 H THR 75 H THR 75 49.141 60.932 72.729 579 HA THR 75 HA THR 75 49.225 61.565 69.842 580 HB THR 75 HB THR 75 50.569 59.469 69.663 581 HG1 THR 75 1HG THR 75 51.146 58.654 71.915 582 1HG2 THR 75 2HG2 THR 75 51.076 61.951 70.996 583 2HG2 THR 75 1HG2 THR 75 51.712 60.780 72.221 584 3HG2 THR 75 3HG2 THR 75 52.391 60.817 70.520 585 H LYS 76 H LYS 76 48.708 58.322 71.203 586 HA LYS 76 HA LYS 76 47.211 56.630 70.731 587 1HB LYS 76 2HB LYS 76 45.265 58.924 70.163 588 2HB LYS 76 1HB LYS 76 44.871 57.211 70.637 589 1HG LYS 76 2HG LYS 76 46.287 57.427 72.741 590 2HG LYS 76 1HG LYS 76 46.499 59.196 72.312 591 1HD LYS 76 2HD LYS 76 43.685 58.290 72.335 592 2HD LYS 76 1HD LYS 76 44.545 58.178 73.946 593 1HE LYS 76 2HE LYS 76 45.417 60.644 73.298 594 2HE LYS 76 1HE LYS 76 43.957 60.590 72.191 595 1HZ LYS 76 3HZ LYS 76 43.629 59.936 75.076 596 2HZ LYS 76 2HZ LYS 76 43.554 61.521 74.494 597 3HZ LYS 76 1HZ LYS 76 42.544 60.329 73.928 598 H GLY 77 H GLY 77 45.732 55.760 69.361 599 1HA GLY 77 1HA GLY 77 45.047 54.825 67.354 600 2HA GLY 77 2HA GLY 77 45.623 56.291 66.427 601 H LEU 78 H LEU 78 47.648 54.949 68.662 602 HA LEU 78 HA LEU 78 49.035 53.082 66.891 603 1HB LEU 78 2HB LEU 78 49.502 55.700 66.199 604 2HB LEU 78 1HB LEU 78 50.657 55.588 67.577 605 HG LEU 78 HG LEU 78 51.364 53.323 66.408 606 1HD1 LEU 78 3HD1 LEU 78 49.918 54.785 64.191 607 2HD1 LEU 78 2HD1 LEU 78 51.413 53.897 63.744 608 3HD1 LEU 78 1HD1 LEU 78 50.021 53.004 64.547 609 1HD2 LEU 78 2HD2 LEU 78 52.658 55.594 66.780 610 2HD2 LEU 78 1HD2 LEU 78 53.263 54.442 65.489 611 3HD2 LEU 78 3HD2 LEU 78 52.367 55.931 65.041 612 H ASP 79 H ASP 79 49.509 55.496 69.604 613 HA ASP 79 HA ASP 79 50.940 53.320 71.079 614 1HB ASP 79 2HB ASP 79 51.978 55.748 71.973 615 2HB ASP 79 1HB ASP 79 52.761 54.578 70.718 616 H GLY 80 H GLY 80 50.020 56.741 71.618 617 1HA GLY 80 1HA GLY 80 48.473 57.695 72.969 618 2HA GLY 80 2HA GLY 80 47.966 56.035 73.572 619 H ARG 81 H ARG 81 50.098 58.797 73.677 620 HA ARG 81 HA ARG 81 50.884 58.224 76.516 621 1HB ARG 81 2HB ARG 81 52.658 58.335 74.058 622 2HB ARG 81 1HB ARG 81 53.298 59.194 75.548 623 1HG ARG 81 2HG ARG 81 52.155 56.335 75.629 624 2HG ARG 81 1HG ARG 81 53.850 56.607 75.141 625 1HD ARG 81 2HD ARG 81 54.305 57.670 77.300 626 2HD ARG 81 1HD ARG 81 52.549 57.686 77.772 627 HE ARG 81 HE ARG 81 54.400 55.498 78.112 628 1HH1 ARG 81 2HH1 ARG 81 51.010 56.354 77.407 629 2HH1 ARG 81 1HH1 ARG 81 50.285 54.878 78.057 630 1HH2 ARG 81 1HH2 ARG 81 53.484 53.524 78.974 631 2HH2 ARG 81 2HH2 ARG 81 51.783 53.205 78.988 632 H ASN 82 H ASN 82 52.361 60.358 77.262 633 HA ASN 82 HA ASN 82 50.860 62.651 76.039 634 1HB ASN 82 2HB ASN 82 51.721 62.207 78.969 635 2HB ASN 82 1HB ASN 82 50.606 63.584 78.354 636 1HD2 ASN 82 1HD2 ASN 82 48.981 60.324 79.630 637 2HD2 ASN 82 2HD2 ASN 82 50.545 60.971 80.046 638 H VAL 83 H VAL 83 52.590 62.641 74.628 639 HA VAL 83 HA VAL 83 55.076 63.976 75.697 640 HB VAL 83 HB VAL 83 54.497 62.090 73.314 641 1HG1 VAL 83 1HG1 VAL 83 56.913 63.866 73.646 642 2HG1 VAL 83 3HG1 VAL 83 57.023 62.343 72.736 643 3HG1 VAL 83 2HG1 VAL 83 55.869 63.672 72.198 644 1HG2 VAL 83 2HG2 VAL 83 56.001 61.947 75.955 645 2HG2 VAL 83 1HG2 VAL 83 55.353 60.639 74.873 646 3HG2 VAL 83 3HG2 VAL 83 56.958 61.414 74.485 647 H LYS 84 H LYS 84 55.786 65.654 74.987 648 HA LYS 84 HA LYS 84 54.257 67.753 74.269 649 1HB LYS 84 2HB LYS 84 56.967 67.486 74.603 650 2HB LYS 84 1HB LYS 84 56.945 67.750 72.797 651 1HG LYS 84 2HG LYS 84 57.144 69.897 74.079 652 2HG LYS 84 1HG LYS 84 55.615 69.772 73.044 653 1HD LYS 84 2HD LYS 84 55.544 70.679 75.533 654 2HD LYS 84 1HD LYS 84 54.227 69.650 74.880 655 1HE LYS 84 2HE LYS 84 55.047 67.634 76.067 656 2HE LYS 84 1HE LYS 84 56.705 68.425 76.313 657 1HZ LYS 84 3HZ LYS 84 55.176 70.096 77.617 658 2HZ LYS 84 2HZ LYS 84 54.309 68.694 77.876 659 3HZ LYS 84 1HZ LYS 84 55.877 68.813 78.365 660 H THR 85 H THR 85 56.226 66.215 71.756 661 HA THR 85 HA THR 85 55.933 65.830 69.445 662 HB THR 85 HB THR 85 53.043 65.911 70.531 663 HG1 THR 85 1HG THR 85 53.383 63.961 70.917 664 1HG2 THR 85 2HG2 THR 85 54.547 64.605 68.089 665 2HG2 THR 85 1HG2 THR 85 52.812 64.265 68.467 666 3HG2 THR 85 3HG2 THR 85 53.311 65.923 67.860 667 H LEU 86 H LEU 86 56.980 67.769 69.764 668 HA LEU 86 HA LEU 86 55.502 70.107 68.784 669 1HB LEU 86 2HB LEU 86 57.312 70.303 70.606 670 2HB LEU 86 1HB LEU 86 58.483 69.660 69.339 671 HG LEU 86 HG LEU 86 57.045 71.905 68.161 672 1HD1 LEU 86 2HD1 LEU 86 57.586 72.182 70.960 673 2HD1 LEU 86 1HD1 LEU 86 58.917 73.077 70.102 674 3HD1 LEU 86 3HD1 LEU 86 57.140 73.466 69.746 675 1HD2 LEU 86 3HD2 LEU 86 59.490 70.649 67.911 676 2HD2 LEU 86 2HD2 LEU 86 59.148 72.320 67.308 677 3HD2 LEU 86 1HD2 LEU 86 59.987 72.035 68.928 678 H VAL 87 H VAL 87 55.232 70.417 66.719 679 HA VAL 87 HA VAL 87 57.199 69.372 64.725 680 HB VAL 87 HB VAL 87 54.507 70.874 64.229 681 1HG1 VAL 87 2HG1 VAL 87 56.258 69.102 62.513 682 2HG1 VAL 87 1HG1 VAL 87 54.682 69.788 61.980 683 3HG1 VAL 87 3HG1 VAL 87 56.111 70.879 62.324 684 1HG2 VAL 87 3HG2 VAL 87 54.672 68.440 65.562 685 2HG2 VAL 87 2HG2 VAL 87 53.333 68.895 64.439 686 3HG2 VAL 87 1HG2 VAL 87 54.732 67.882 63.870 687 H THR 88 H THR 88 58.090 70.588 63.184 688 HA THR 88 HA THR 88 57.942 73.482 63.211 689 HB THR 88 HB THR 88 59.308 72.808 65.273 690 HG1 THR 88 1HG THR 88 60.630 74.466 65.027 691 1HG2 THR 88 1HG2 THR 88 61.344 72.167 63.041 692 2HG2 THR 88 3HG2 THR 88 61.773 72.244 64.796 693 3HG2 THR 88 2HG2 THR 88 60.727 70.890 64.149 694 H TRP 89 H TRP 89 59.317 74.459 61.745 695 HA TRP 89 HA TRP 89 59.892 72.981 59.158 696 1HB TRP 89 2HB TRP 89 59.681 75.893 60.208 697 2HB TRP 89 1HB TRP 89 60.609 75.546 58.696 698 HD1 TRP 89 HD1 TRP 89 57.166 76.273 59.736 699 HE1 TRP 89 HE1 TRP 89 55.558 75.176 57.963 700 HE3 TRP 89 HE3 TRP 89 60.502 73.465 57.386 701 HZ2 TRP 89 HZ2 TRP 89 55.821 73.207 55.813 702 HZ3 TRP 89 HZ3 TRP 89 59.885 71.938 55.526 703 HH2 TRP 89 HH2 TRP 89 57.635 71.873 54.858 704 H GLU 90 H GLU 90 62.092 72.841 58.254 705 HA GLU 90 HA GLU 90 63.944 73.204 60.519 706 1HB GLU 90 2HB GLU 90 63.540 71.064 59.151 707 2HB GLU 90 1HB GLU 90 64.328 71.948 57.746 708 1HG GLU 90 2HG GLU 90 65.949 71.757 60.321 709 2HG GLU 90 1HG GLU 90 65.687 70.209 59.259 710 H GLY 91 H GLY 91 63.383 73.815 57.207 711 1HA GLY 91 1HA GLY 91 64.252 76.496 57.052 712 2HA GLY 91 2HA GLY 91 65.602 75.391 56.366 713 H ASN 92 H ASN 92 64.413 73.363 55.636 714 HA ASN 92 HA ASN 92 62.308 74.039 53.588 715 1HB ASN 92 2HB ASN 92 63.532 72.820 51.773 716 2HB ASN 92 1HB ASN 92 64.570 74.250 52.331 717 1HD2 ASN 92 1HD2 ASN 92 66.212 70.717 52.420 718 2HD2 ASN 92 2HD2 ASN 92 64.977 71.280 51.276 719 H THR 93 H THR 93 62.406 72.543 56.093 720 HA THR 93 HA THR 93 60.953 70.226 55.114 721 HB THR 93 HB THR 93 63.375 69.423 54.914 722 HG1 THR 93 1HG THR 93 62.016 67.769 56.527 723 1HG2 THR 93 2HG2 THR 93 62.835 69.106 57.989 724 2HG2 THR 93 1HG2 THR 93 64.156 68.282 57.101 725 3HG2 THR 93 3HG2 THR 93 64.240 70.048 57.313 726 H LEU 94 H LEU 94 60.247 68.815 56.488 727 HA LEU 94 HA LEU 94 59.184 70.130 58.939 728 1HB LEU 94 2HB LEU 94 57.468 69.501 57.463 729 2HB LEU 94 1HB LEU 94 58.081 67.777 57.373 730 HG LEU 94 HG LEU 94 57.792 68.605 60.146 731 1HD1 LEU 94 1HD1 LEU 94 55.665 69.779 58.697 732 2HD1 LEU 94 3HD1 LEU 94 55.055 68.043 58.996 733 3HD1 LEU 94 2HD1 LEU 94 55.566 69.132 60.352 734 1HD2 LEU 94 1HD2 LEU 94 58.079 66.335 59.163 735 2HD2 LEU 94 3HD2 LEU 94 56.759 66.481 60.367 736 3HD2 LEU 94 2HD2 LEU 94 56.338 66.404 58.588 737 H VAL 95 H VAL 95 60.011 69.878 60.689 738 HA VAL 95 HA VAL 95 61.262 67.285 61.470 739 HB VAL 95 HB VAL 95 61.441 70.279 62.330 740 1HG1 VAL 95 2HG1 VAL 95 61.839 68.939 64.334 741 2HG1 VAL 95 1HG1 VAL 95 63.173 68.049 63.515 742 3HG1 VAL 95 3HG1 VAL 95 63.346 69.823 63.749 743 1HG2 VAL 95 1HG2 VAL 95 62.589 69.340 60.143 744 2HG2 VAL 95 3HG2 VAL 95 63.708 70.266 61.226 745 3HG2 VAL 95 2HG2 VAL 95 63.747 68.444 61.258 746 H CYS 96 H CYS 96 60.486 66.308 63.349 747 HA CYS 96 HA CYS 96 59.005 68.007 65.228 748 1HB CYS 96 2HB CYS 96 57.210 66.630 63.743 749 2HB CYS 96 1HB CYS 96 57.899 65.178 64.419 750 HG CYS 96 HG CYS 96 55.577 66.545 65.497 751 H VAL 97 H VAL 97 59.073 67.489 67.221 752 HA VAL 97 HA VAL 97 60.943 65.298 67.998 753 HB VAL 97 HB VAL 97 61.682 67.034 69.841 754 1HG1 VAL 97 1HG1 VAL 97 62.360 67.511 66.837 755 2HG1 VAL 97 3HG1 VAL 97 63.273 68.208 68.228 756 3HG1 VAL 97 2HG1 VAL 97 63.271 66.417 68.025 757 1HG2 VAL 97 3HG2 VAL 97 60.254 68.871 67.922 758 2HG2 VAL 97 2HG2 VAL 97 60.107 68.632 69.779 759 3HG2 VAL 97 1HG2 VAL 97 61.577 69.403 69.031 760 H GLN 98 H GLN 98 59.776 63.971 68.849 761 HA GLN 98 HA GLN 98 57.613 64.248 70.834 762 1HB GLN 98 2HB GLN 98 59.527 61.990 70.012 763 2HB GLN 98 1HB GLN 98 58.245 61.815 71.323 764 1HG GLN 98 2HG GLN 98 57.409 63.033 68.651 765 2HG GLN 98 1HG GLN 98 57.744 61.235 68.666 766 1HE2 GLN 98 1HE2 GLN 98 55.084 60.829 71.244 767 2HE2 GLN 98 2HE2 GLN 98 56.816 60.538 71.216 768 H LYS 99 H LYS 99 58.022 65.174 72.601 769 HA LYS 99 HA LYS 99 60.376 65.653 74.020 770 1HB LYS 99 2HB LYS 99 58.707 66.451 75.317 771 2HB LYS 99 1HB LYS 99 57.587 65.088 75.004 772 1HG LYS 99 2HG LYS 99 58.819 63.615 76.553 773 2HG LYS 99 1HG LYS 99 60.167 64.799 76.780 774 1HD LYS 99 2HD LYS 99 57.239 65.048 77.683 775 2HD LYS 99 1HD LYS 99 58.699 64.703 78.723 776 1HE LYS 99 2HE LYS 99 59.627 66.902 77.591 777 2HE LYS 99 1HE LYS 99 57.899 67.240 77.178 778 1HZ LYS 99 3HZ LYS 99 58.798 66.508 79.901 779 2HZ LYS 99 2HZ LYS 99 58.971 68.098 79.378 780 3HZ LYS 99 1HZ LYS 99 57.439 67.400 79.516 781 H GLY 100 H GLY 100 58.453 62.790 74.107 782 1HA GLY 100 1HA GLY 100 59.598 60.575 74.044 783 2HA GLY 100 2HA GLY 100 60.854 61.261 75.189 784 H GLU 101 H GLU 101 60.429 61.754 77.121 785 HA GLU 101 HA GLU 101 59.599 61.384 79.331 786 1HB GLU 101 2HB GLU 101 57.305 61.693 77.593 787 2HB GLU 101 1HB GLU 101 56.953 60.230 78.523 788 1HG GLU 101 2HG GLU 101 58.125 62.094 80.417 789 2HG GLU 101 1HG GLU 101 56.856 62.979 79.380 790 H LYS 102 H LYS 102 60.619 59.446 77.236 791 HA LYS 102 HA LYS 102 61.448 57.229 78.672 792 1HB LYS 102 2HB LYS 102 59.796 55.449 77.855 793 2HB LYS 102 1HB LYS 102 59.348 56.453 79.320 794 1HG LYS 102 2HG LYS 102 57.346 56.719 78.213 795 2HG LYS 102 1HG LYS 102 58.218 57.903 77.158 796 1HD LYS 102 2HD LYS 102 57.157 56.291 75.674 797 2HD LYS 102 1HD LYS 102 58.932 55.938 75.697 798 1HE LYS 102 2HE LYS 102 58.599 53.842 76.804 799 2HE LYS 102 1HE LYS 102 57.249 54.593 77.782 800 1HZ LYS 102 3HZ LYS 102 56.292 54.520 75.192 801 2HZ LYS 102 2HZ LYS 102 57.275 53.208 75.240 802 3HZ LYS 102 1HZ LYS 102 56.010 53.334 76.307 803 H GLU 103 H GLU 103 59.761 58.270 75.864 804 HA GLU 103 HA GLU 103 61.340 56.511 74.065 805 1HB GLU 103 2HB GLU 103 58.559 57.489 74.175 806 2HB GLU 103 1HB GLU 103 59.339 57.978 72.583 807 1HG GLU 103 2HG GLU 103 59.980 55.830 72.067 808 2HG GLU 103 1HG GLU 103 59.393 55.193 73.752 809 H ASN 104 H ASN 104 61.242 57.246 71.868 810 HA ASN 104 HA ASN 104 62.120 59.985 71.296 811 1HB ASN 104 2HB ASN 104 63.657 57.357 71.478 812 2HB ASN 104 1HB ASN 104 63.995 58.250 69.928 813 1HD2 ASN 104 2HD2 ASN 104 66.267 59.197 72.912 814 2HD2 ASN 104 1HD2 ASN 104 65.516 57.588 72.309 815 H ARG 105 H ARG 105 59.862 59.858 70.370 816 HA ARG 105 HA ARG 105 59.617 57.846 68.269 817 1HB ARG 105 2HB ARG 105 57.844 57.842 70.048 818 2HB ARG 105 1HB ARG 105 57.644 59.622 69.764 819 1HG ARG 105 2HG ARG 105 55.843 58.160 68.779 820 2HG ARG 105 1HG ARG 105 56.646 59.296 67.591 821 1HD ARG 105 2HD ARG 105 58.215 56.993 67.316 822 2HD ARG 105 1HD ARG 105 56.605 56.310 67.753 823 HE ARG 105 HE ARG 105 57.416 57.643 65.244 824 1HH1 ARG 105 2HH2 ARG 105 54.549 57.176 67.513 825 2HH1 ARG 105 1HH2 ARG 105 53.380 57.475 66.239 826 1HH2 ARG 105 2HH1 ARG 105 55.667 58.014 63.639 827 2HH2 ARG 105 1HH1 ARG 105 54.016 57.933 64.212 828 H GLY 106 H GLY 106 60.619 60.705 68.740 829 1HA GLY 106 1HA GLY 106 59.501 62.590 66.944 830 2HA GLY 106 2HA GLY 106 61.275 62.435 67.287 831 H TRP 107 H TRP 107 58.778 62.074 65.138 832 HA TRP 107 HA TRP 107 60.516 61.034 62.972 833 1HB TRP 107 2HB TRP 107 58.609 60.339 61.768 834 2HB TRP 107 1HB TRP 107 57.865 60.293 63.446 835 HD1 TRP 107 HD1 TRP 107 58.058 62.104 60.120 836 HE1 TRP 107 HE1 TRP 107 56.453 64.228 60.062 837 HE3 TRP 107 HE3 TRP 107 56.845 62.130 65.002 838 HZ2 TRP 107 HZ2 TRP 107 55.095 65.463 61.875 839 HZ3 TRP 107 HZ3 TRP 107 55.356 63.846 65.844 840 HH2 TRP 107 HH2 TRP 107 54.484 65.512 64.275 841 H LYS 108 H LYS 108 60.761 61.914 61.112 842 HA LYS 108 HA LYS 108 59.780 64.578 60.536 843 1HB LYS 108 2HB LYS 108 62.319 65.451 60.420 844 2HB LYS 108 1HB LYS 108 61.625 65.373 62.096 845 1HG LYS 108 2HG LYS 108 62.766 62.816 60.930 846 2HG LYS 108 1HG LYS 108 63.933 64.187 61.376 847 1HD LYS 108 2HD LYS 108 61.936 63.386 63.534 848 2HD LYS 108 1HD LYS 108 63.404 62.362 63.239 849 1HE LYS 108 2HE LYS 108 63.413 65.436 63.557 850 2HE LYS 108 1HE LYS 108 63.544 64.298 64.962 851 1HZ LYS 108 2HZ LYS 108 65.405 63.256 63.367 852 2HZ LYS 108 1HZ LYS 108 65.435 64.798 62.821 853 3HZ LYS 108 3HZ LYS 108 65.750 64.524 64.444 854 H GLN 109 H GLN 109 61.236 65.657 58.814 855 HA GLN 109 HA GLN 109 62.088 63.448 56.837 856 1HB GLN 109 2HB GLN 109 59.827 65.431 56.729 857 2HB GLN 109 1HB GLN 109 60.652 65.131 55.150 858 1HG GLN 109 2HG GLN 109 59.278 63.207 55.057 859 2HG GLN 109 1HG GLN 109 60.161 62.640 56.642 860 1HE2 GLN 109 1HE2 GLN 109 57.499 63.434 58.712 861 2HE2 GLN 109 2HE2 GLN 109 59.129 62.577 58.436 862 H TRP 110 H TRP 110 62.989 64.492 54.746 863 HA TRP 110 HA TRP 110 63.837 67.276 55.087 864 1HB TRP 110 2HB TRP 110 66.346 66.366 55.087 865 2HB TRP 110 1HB TRP 110 65.423 66.920 56.541 866 HD1 TRP 110 HD1 TRP 110 65.585 63.450 54.643 867 HE1 TRP 110 HE1 TRP 110 65.850 61.664 56.571 868 HE3 TRP 110 HE3 TRP 110 65.589 66.587 58.395 869 HZ2 TRP 110 HZ2 TRP 110 66.050 61.848 59.379 870 HZ3 TRP 110 HZ3 TRP 110 65.817 65.858 60.792 871 HH2 TRP 110 HH2 TRP 110 66.038 63.518 61.165 872 H VAL 111 H VAL 111 62.631 65.555 52.964 873 HA VAL 111 HA VAL 111 62.968 65.078 50.624 874 HB VAL 111 HB VAL 111 63.593 68.085 51.057 875 1HG1 VAL 111 1HG1 VAL 111 63.178 66.714 48.608 876 2HG1 VAL 111 3HG1 VAL 111 61.607 67.525 48.990 877 3HG1 VAL 111 2HG1 VAL 111 63.133 68.500 48.948 878 1HG2 VAL 111 2HG2 VAL 111 61.068 66.411 51.304 879 2HG2 VAL 111 1HG2 VAL 111 61.770 67.455 52.605 880 3HG2 VAL 111 3HG2 VAL 111 61.067 68.251 51.097 881 H GLU 112 H GLU 112 64.932 63.850 50.853 882 HA GLU 112 HA GLU 112 67.388 65.238 50.082 883 1HB GLU 112 2HB GLU 112 66.561 62.561 51.233 884 2HB GLU 112 1HB GLU 112 68.076 62.534 50.297 885 1HG GLU 112 2HG GLU 112 68.499 64.832 51.681 886 2HG GLU 112 1HG GLU 112 67.392 63.804 52.875 887 H GLY 113 H GLY 113 65.923 65.755 48.234 888 1HA GLY 113 1HA GLY 113 66.449 65.767 45.822 889 2HA GLY 113 2HA GLY 113 66.544 63.980 45.808 890 H ASP 114 H ASP 114 65.004 63.133 44.877 891 HA ASP 114 HA ASP 114 62.270 64.399 44.839 892 1HB ASP 114 2HB ASP 114 63.635 62.308 42.909 893 2HB ASP 114 1HB ASP 114 61.867 62.896 42.852 894 H LYS 115 H LYS 115 63.136 63.098 47.008 895 HA LYS 115 HA LYS 115 60.947 61.321 47.641 896 1HB LYS 115 2HB LYS 115 62.184 59.232 47.858 897 2HB LYS 115 1HB LYS 115 62.730 59.807 46.213 898 1HG LYS 115 2HG LYS 115 64.612 61.084 47.362 899 2HG LYS 115 1HG LYS 115 64.239 60.046 48.827 900 1HD LYS 115 2HD LYS 115 64.348 58.007 47.167 901 2HD LYS 115 1HD LYS 115 65.181 59.120 46.044 902 1HE LYS 115 2HE LYS 115 66.439 59.832 48.389 903 2HE LYS 115 1HE LYS 115 65.973 58.142 48.794 904 1HZ LYS 115 1HZ LYS 115 67.559 58.966 46.359 905 2HZ LYS 115 3HZ LYS 115 68.324 58.489 47.729 906 3HZ LYS 115 2HZ LYS 115 67.383 57.380 46.966 907 H LEU 116 H LEU 116 60.669 61.222 49.729 908 HA LEU 116 HA LEU 116 62.891 62.771 51.204 909 1HB LEU 116 2HB LEU 116 61.241 63.572 52.789 910 2HB LEU 116 1HB LEU 116 61.044 64.251 51.103 911 HG LEU 116 HG LEU 116 59.316 62.417 50.745 912 1HD1 LEU 116 1HD1 LEU 116 59.941 61.971 53.628 913 2HD1 LEU 116 3HD1 LEU 116 58.198 62.317 53.403 914 3HD1 LEU 116 2HD1 LEU 116 58.975 60.966 52.486 915 1HD2 LEU 116 2HD2 LEU 116 58.789 64.917 50.927 916 2HD2 LEU 116 1HD2 LEU 116 57.492 63.920 51.702 917 3HD2 LEU 116 3HD2 LEU 116 58.723 64.693 52.741 918 H TYR 117 H TYR 117 63.791 62.148 52.834 919 HA TYR 117 HA TYR 117 63.219 59.355 53.550 920 1HB TYR 117 2HB TYR 117 65.321 61.507 54.272 921 2HB TYR 117 1HB TYR 117 65.102 60.080 55.371 922 HD1 TYR 117 HD1 TYR 117 64.455 57.927 53.227 923 HD2 TYR 117 HD2 TYR 117 67.507 60.978 53.227 924 HE1 TYR 117 HE1 TYR 117 65.843 56.580 51.686 925 HE2 TYR 117 HE2 TYR 117 68.817 59.641 51.750 926 HH TYR 117 HH TYR 117 67.709 57.058 49.953 927 H LEU 118 H LEU 118 61.377 59.144 54.326 928 HA LEU 118 HA LEU 118 60.677 60.751 56.726 929 1HB LEU 118 2HB LEU 118 59.093 59.441 54.902 930 2HB LEU 118 1HB LEU 118 59.230 58.108 56.155 931 HG LEU 118 HG LEU 118 57.782 60.729 56.416 932 1HD1 LEU 118 3HD1 LEU 118 57.357 57.794 56.810 933 2HD1 LEU 118 2HD1 LEU 118 56.379 58.975 57.834 934 3HD1 LEU 118 1HD1 LEU 118 56.372 59.100 56.036 935 1HD2 LEU 118 2HD2 LEU 118 59.536 60.639 58.310 936 2HD2 LEU 118 1HD2 LEU 118 57.803 60.549 58.887 937 3HD2 LEU 118 3HD2 LEU 118 58.768 59.021 58.802 938 H GLU 119 H GLU 119 62.586 60.536 57.676 939 HA GLU 119 HA GLU 119 63.404 57.979 58.910 940 1HB GLU 119 2HB GLU 119 64.600 60.805 58.604 941 2HB GLU 119 1HB GLU 119 65.109 59.707 59.913 942 1HG GLU 119 2HG GLU 119 65.846 57.944 58.473 943 2HG GLU 119 1HG GLU 119 64.729 58.578 57.123 944 H LEU 120 H LEU 120 62.142 57.280 60.387 945 HA LEU 120 HA LEU 120 61.534 59.342 62.539 946 1HB LEU 120 2HB LEU 120 59.428 58.474 62.914 947 2HB LEU 120 1HB LEU 120 59.673 58.485 61.090 948 HG LEU 120 HG LEU 120 60.499 55.910 62.299 949 1HD1 LEU 120 2HD1 LEU 120 58.388 56.549 63.656 950 2HD1 LEU 120 1HD1 LEU 120 57.436 56.654 62.114 951 3HD1 LEU 120 3HD1 LEU 120 58.122 55.064 62.677 952 1HD2 LEU 120 2HD2 LEU 120 60.260 56.364 59.846 953 2HD2 LEU 120 1HD2 LEU 120 59.178 55.021 60.412 954 3HD2 LEU 120 3HD2 LEU 120 58.513 56.696 60.080 955 H THR 121 H THR 121 61.395 58.744 64.567 956 HA THR 121 HA THR 121 63.030 56.294 65.247 957 HB THR 121 HB THR 121 62.814 58.853 66.990 958 HG1 THR 121 1HG THR 121 63.787 59.610 65.245 959 1HG2 THR 121 2HG2 THR 121 64.324 56.203 66.912 960 2HG2 THR 121 1HG2 THR 121 65.354 57.584 67.368 961 3HG2 THR 121 3HG2 THR 121 63.926 57.120 68.394 962 H CYS 122 H CYS 122 62.370 55.256 67.477 963 HA CYS 122 HA CYS 122 59.567 55.900 68.179 964 1HB CYS 122 2HB CYS 122 60.427 53.041 67.504 965 2HB CYS 122 1HB CYS 122 58.768 53.634 67.641 966 HG CYS 122 HG CYS 122 59.804 52.836 65.102 967 H GLY 123 H GLY 123 62.163 56.013 69.462 968 1HA GLY 123 1HA GLY 123 62.411 55.657 71.901 969 2HA GLY 123 2HA GLY 123 61.547 54.096 71.681 970 H ASP 124 H ASP 124 62.905 53.230 69.400 971 HA ASP 124 HA ASP 124 65.719 53.234 69.177 972 1HB ASP 124 2HB ASP 124 65.871 52.439 71.510 973 2HB ASP 124 1HB ASP 124 64.658 51.071 71.163 974 H GLN 125 H GLN 125 65.115 53.188 67.187 975 HA GLN 125 HA GLN 125 64.940 50.465 66.179 976 1HB GLN 125 2HB GLN 125 62.416 52.125 66.435 977 2HB GLN 125 1HB GLN 125 62.636 51.313 64.827 978 1HG GLN 125 2HG GLN 125 62.212 49.982 67.571 979 2HG GLN 125 1HG GLN 125 61.330 49.878 65.998 980 1HE2 GLN 125 2HE2 GLN 125 64.119 47.185 66.673 981 2HE2 GLN 125 1HE2 GLN 125 63.094 48.220 67.879 982 H VAL 126 H VAL 126 63.962 53.729 65.612 983 HA VAL 126 HA VAL 126 64.466 55.343 64.026 984 HB VAL 126 HB VAL 126 67.079 53.655 63.600 985 1HG1 VAL 126 1HG1 VAL 126 66.091 55.995 62.316 986 2HG1 VAL 126 3HG1 VAL 126 66.829 56.694 63.795 987 3HG1 VAL 126 2HG1 VAL 126 67.854 55.685 62.622 988 1HG2 VAL 126 3HG2 VAL 126 66.157 55.452 65.862 989 2HG2 VAL 126 2HG2 VAL 126 67.178 53.908 65.908 990 3HG2 VAL 126 1HG2 VAL 126 67.905 55.408 65.336 991 H CYS 127 H CYS 127 62.666 53.691 62.984 992 HA CYS 127 HA CYS 127 63.111 52.131 60.722 993 1HB CYS 127 2HB CYS 127 60.873 52.699 61.806 994 2HB CYS 127 1HB CYS 127 60.944 54.335 61.176 995 HG CYS 127 HG CYS 127 59.905 53.858 59.088 996 H ARG 128 H ARG 128 63.983 52.223 58.950 997 HA ARG 128 HA ARG 128 64.650 55.051 57.900 998 1HB ARG 128 2HB ARG 128 66.141 52.533 58.132 999 2HB ARG 128 1HB ARG 128 66.107 53.140 56.409 1000 1HG ARG 128 2HG ARG 128 66.601 55.328 58.329 1001 2HG ARG 128 1HG ARG 128 67.882 54.091 58.430 1002 1HD ARG 128 2HD ARG 128 67.847 54.319 55.732 1003 2HD ARG 128 1HD ARG 128 66.730 55.730 56.067 1004 HE ARG 128 HE ARG 128 69.034 56.155 57.660 1005 1HH1 ARG 128 2HH2 ARG 128 68.212 55.794 54.236 1006 2HH1 ARG 128 1HH2 ARG 128 69.468 56.817 53.635 1007 1HH2 ARG 128 2HH1 ARG 128 70.711 57.526 56.934 1008 2HH2 ARG 128 1HH1 ARG 128 70.965 57.863 55.233 1009 H GLN 129 H GLN 129 62.849 55.603 56.955 1010 HA GLN 129 HA GLN 129 61.845 53.712 54.904 1011 1HB GLN 129 2HB GLN 129 61.187 56.706 55.346 1012 2HB GLN 129 1HB GLN 129 60.272 55.541 54.246 1013 1HG GLN 129 2HG GLN 129 60.686 54.970 57.238 1014 2HG GLN 129 1HG GLN 129 59.159 55.695 56.548 1015 1HE2 GLN 129 1HE2 GLN 129 58.191 52.699 54.918 1016 2HE2 GLN 129 2HE2 GLN 129 58.000 54.475 54.996 1017 H VAL 130 H VAL 130 61.576 54.080 52.563 1018 HA VAL 130 HA VAL 130 63.708 55.880 51.452 1019 HB VAL 130 HB VAL 130 63.443 52.803 51.051 1020 1HG1 VAL 130 3HG1 VAL 130 64.472 55.044 49.221 1021 2HG1 VAL 130 2HG1 VAL 130 65.498 53.522 49.384 1022 3HG1 VAL 130 1HG1 VAL 130 63.788 53.433 48.819 1023 1HG2 VAL 130 3HG2 VAL 130 65.114 54.070 52.783 1024 2HG2 VAL 130 2HG2 VAL 130 65.501 52.542 51.959 1025 3HG2 VAL 130 1HG2 VAL 130 66.136 54.123 51.281 1026 H PHE 131 H PHE 131 62.177 57.047 50.971 1027 HA PHE 131 HA PHE 131 59.787 56.391 49.429 1028 1HB PHE 131 2HB PHE 131 61.383 58.839 50.318 1029 2HB PHE 131 1HB PHE 131 60.282 59.079 48.902 1030 HD1 PHE 131 HD2 PHE 131 60.578 57.725 52.304 1031 HD2 PHE 131 HD1 PHE 131 58.000 59.406 49.323 1032 HE1 PHE 131 HE2 PHE 131 58.738 57.877 53.888 1033 HE2 PHE 131 HE1 PHE 131 56.111 59.541 51.011 1034 HZ PHE 131 HZ PHE 131 56.503 58.769 53.303 1035 H LYS 132 H LYS 132 59.240 57.860 47.666 1036 HA LYS 132 HA LYS 132 61.135 58.553 45.589 1037 1HB LYS 132 2HB LYS 132 60.659 56.869 43.943 1038 2HB LYS 132 1HB LYS 132 60.776 55.909 45.490 1039 1HG LYS 132 2HG LYS 132 58.955 55.018 44.432 1040 2HG LYS 132 1HG LYS 132 58.076 56.166 45.514 1041 1HD LYS 132 2HD LYS 132 57.113 56.963 43.603 1042 2HD LYS 132 1HD LYS 132 58.775 57.778 43.326 1043 1HE LYS 132 2HE LYS 132 58.394 56.662 41.307 1044 2HE LYS 132 1HE LYS 132 59.322 55.407 42.206 1045 1HZ LYS 132 3HZ LYS 132 56.332 55.636 41.972 1046 2HZ LYS 132 2HZ LYS 132 57.321 54.593 41.086 1047 3HZ LYS 132 1HZ LYS 132 57.108 54.381 42.711 1048 H LYS 133 H LYS 133 60.244 60.242 44.909 1049 HA LYS 133 HA LYS 133 57.498 61.036 45.688 1050 1HB LYS 133 2HB LYS 133 59.373 62.702 45.352 1051 2HB LYS 133 1HB LYS 133 59.287 62.191 43.624 1052 1HG LYS 133 2HG LYS 133 56.730 62.781 43.695 1053 2HG LYS 133 1HG LYS 133 57.010 63.281 45.419 1054 1HD LYS 133 2HD LYS 133 56.979 65.391 44.122 1055 2HD LYS 133 1HD LYS 133 58.764 64.951 44.209 1056 1HE LYS 133 2HE LYS 133 57.605 63.432 42.088 1057 2HE LYS 133 1HE LYS 133 57.259 65.247 41.887 1058 1HZ LYS 133 2HZ LYS 133 59.931 64.423 42.729 1059 2HZ LYS 133 1HZ LYS 133 59.517 64.106 41.137 1060 3HZ LYS 133 3HZ LYS 133 59.441 65.649 41.671 1061 H LYS 134 H LYS 134 56.185 59.452 44.857 1062 HA LYS 134 HA LYS 134 54.554 58.682 43.331 1063 1HB LYS 134 2HB LYS 134 54.551 61.296 43.197 1064 2HB LYS 134 1HB LYS 134 55.292 61.136 41.594 1065 1HG LYS 134 2HG LYS 134 53.295 60.116 40.649 1066 2HG LYS 134 1HG LYS 134 52.780 59.509 42.265 1067 1HD LYS 134 2HD LYS 134 51.574 61.554 41.222 1068 2HD LYS 134 1HD LYS 134 52.112 61.747 42.985 1069 1HE LYS 134 2HE LYS 134 53.703 63.252 42.526 1070 2HE LYS 134 1HE LYS 134 54.055 62.543 40.832 1071 1HZ LYS 134 3HZ LYS 134 51.641 63.466 40.506 1072 2HZ LYS 134 2HZ LYS 134 52.113 64.601 41.591 1073 3HZ LYS 134 1HZ LYS 134 52.994 64.351 40.174 No H/Q in entry = 1073 Start of MODEL 11 1 1H MET 1 3H MET 1 63.606 75.796 45.389 2 2H MET 1 2H MET 1 64.958 75.454 44.410 3 3H MET 1 1H MET 1 63.527 74.578 44.299 4 HA MET 1 HA MET 1 64.134 73.243 46.049 5 1HB MET 1 2HB MET 1 66.710 74.914 45.503 6 2HB MET 1 1HB MET 1 66.607 73.810 46.943 7 1HG MET 1 2HG MET 1 66.098 71.847 45.611 8 2HG MET 1 1HG MET 1 65.807 72.767 44.169 9 1HE MET 1 2HE MET 1 67.107 71.172 42.996 10 2HE MET 1 1HE MET 1 68.858 71.460 42.622 11 3HE MET 1 3HE MET 1 68.251 70.310 43.938 12 H THR 2 H THR 2 62.558 74.135 47.322 13 HA THR 2 HA THR 2 63.729 75.386 49.790 14 HB THR 2 HB THR 2 61.149 76.619 48.756 15 HG1 THR 2 1HG THR 2 61.853 77.241 47.030 16 1HG2 THR 2 1HG2 THR 2 63.119 77.065 50.783 17 2HG2 THR 2 3HG2 THR 2 63.775 78.112 49.536 18 3HG2 THR 2 2HG2 THR 2 62.100 78.435 50.215 19 H LYS 3 H LYS 3 61.393 76.044 51.014 20 HA LYS 3 HA LYS 3 60.408 73.223 51.437 21 1HB LYS 3 2HB LYS 3 59.122 74.162 53.346 22 2HB LYS 3 1HB LYS 3 60.867 74.581 53.439 23 1HG LYS 3 2HG LYS 3 59.076 76.553 51.948 24 2HG LYS 3 1HG LYS 3 58.828 76.331 53.734 25 1HD LYS 3 2HD LYS 3 61.692 76.434 53.145 26 2HD LYS 3 1HD LYS 3 60.915 77.725 52.175 27 1HE LYS 3 2HE LYS 3 59.821 77.748 54.873 28 2HE LYS 3 1HE LYS 3 61.681 77.765 54.967 29 1HZ LYS 3 1HZ LYS 3 59.956 79.601 53.369 30 2HZ LYS 3 3HZ LYS 3 60.605 79.993 54.806 31 3HZ LYS 3 2HZ LYS 3 61.615 79.671 53.460 32 H ASP 4 H ASP 4 59.617 74.028 48.847 33 HA ASP 4 HA ASP 4 56.644 74.395 49.152 34 1HB ASP 4 2HB ASP 4 58.625 74.808 46.777 35 2HB ASP 4 1HB ASP 4 56.824 74.659 46.667 36 H GLN 5 H GLN 5 56.022 72.346 49.681 37 HA GLN 5 HA GLN 5 56.931 69.952 48.101 38 1HB GLN 5 2HB GLN 5 55.293 70.542 50.665 39 2HB GLN 5 1HB GLN 5 55.637 68.858 49.961 40 1HG GLN 5 2HG GLN 5 57.275 68.867 51.465 41 2HG GLN 5 1HG GLN 5 58.130 69.738 50.027 42 1HE2 GLN 5 1HE2 GLN 5 59.261 71.951 52.384 43 2HE2 GLN 5 2HE2 GLN 5 59.591 70.504 51.421 44 H ASN 6 H ASN 6 54.000 69.378 49.176 45 HA ASN 6 HA ASN 6 52.053 69.002 48.396 46 1HB ASN 6 2HB ASN 6 52.631 71.637 46.905 47 2HB ASN 6 1HB ASN 6 51.348 70.572 46.125 48 1HD2 ASN 6 2HD2 ASN 6 50.721 72.379 49.732 49 2HD2 ASN 6 1HD2 ASN 6 52.387 72.235 48.882 50 H GLY 7 H GLY 7 51.999 67.128 47.755 51 1HA GLY 7 1HA GLY 7 51.761 66.544 44.964 52 2HA GLY 7 2HA GLY 7 53.353 65.979 45.616 53 H THR 8 H THR 8 53.248 64.032 45.833 54 HA THR 8 HA THR 8 51.745 62.574 47.716 55 HB THR 8 HB THR 8 50.417 62.649 45.084 56 HG1 THR 8 1HG THR 8 49.259 62.412 46.871 57 1HG2 THR 8 2HG2 THR 8 52.147 60.505 44.727 58 2HG2 THR 8 1HG2 THR 8 51.381 59.864 46.253 59 3HG2 THR 8 3HG2 THR 8 50.404 60.111 44.728 60 H TRP 9 H TRP 9 52.567 60.662 47.969 61 HA TRP 9 HA TRP 9 54.906 59.900 46.362 62 1HB TRP 9 2HB TRP 9 55.547 60.140 49.275 63 2HB TRP 9 1HB TRP 9 56.700 60.121 47.910 64 HD1 TRP 9 HD1 TRP 9 53.749 62.365 49.111 65 HE1 TRP 9 HE1 TRP 9 54.164 64.870 48.859 66 HE3 TRP 9 HE3 TRP 9 58.105 61.817 47.063 67 HZ2 TRP 9 HZ2 TRP 9 56.230 66.297 47.823 68 HZ3 TRP 9 HZ3 TRP 9 59.367 63.845 46.405 69 HH2 TRP 9 HH2 TRP 9 58.470 66.030 46.760 70 H GLU 10 H GLU 10 54.616 57.798 45.928 71 HA GLU 10 HA GLU 10 53.200 56.095 47.895 72 1HB GLU 10 2HB GLU 10 54.841 55.137 45.453 73 2HB GLU 10 1HB GLU 10 53.460 54.330 46.341 74 1HG GLU 10 2HG GLU 10 52.560 56.979 45.577 75 2HG GLU 10 1HG GLU 10 53.506 56.278 44.165 76 H MET 11 H MET 11 54.018 55.265 49.526 77 HA MET 11 HA MET 11 56.854 55.153 50.249 78 1HB MET 11 2HB MET 11 54.704 54.841 51.811 79 2HB MET 11 1HB MET 11 54.468 53.273 50.882 80 1HG MET 11 2HG MET 11 56.860 52.606 51.689 81 2HG MET 11 1HG MET 11 56.685 53.930 52.844 82 1HE MET 11 1HE MET 11 56.548 50.374 52.506 83 2HE MET 11 3HE MET 11 55.076 49.650 53.165 84 3HE MET 11 2HE MET 11 55.001 50.340 51.538 85 H GLU 12 H GLU 12 57.992 54.480 48.728 86 HA GLU 12 HA GLU 12 57.718 52.199 47.048 87 1HB GLU 12 2HB GLU 12 59.075 54.031 46.223 88 2HB GLU 12 1HB GLU 12 60.006 54.086 47.767 89 1HG GLU 12 2HG GLU 12 61.263 52.142 47.128 90 2HG GLU 12 1HG GLU 12 59.875 51.593 45.996 91 H SER 13 H SER 13 58.508 52.468 50.353 92 HA SER 13 HA SER 13 59.011 49.585 50.537 93 1HB SER 13 2HB SER 13 61.337 50.946 49.817 94 2HB SER 13 1HB SER 13 61.426 50.851 51.665 95 HG SER 13 HG SER 13 62.253 49.040 50.908 96 H ASN 14 H ASN 14 59.372 48.825 52.426 97 HA ASN 14 HA ASN 14 59.020 50.515 54.832 98 1HB ASN 14 2HB ASN 14 57.422 48.584 55.686 99 2HB ASN 14 1HB ASN 14 56.787 49.648 54.310 100 1HD2 ASN 14 2HD2 ASN 14 57.091 45.696 53.840 101 2HD2 ASN 14 1HD2 ASN 14 56.896 46.671 55.442 102 H GLU 15 H GLU 15 60.191 50.082 56.379 103 HA GLU 15 HA GLU 15 61.973 47.744 55.931 104 1HB GLU 15 2HB GLU 15 62.163 50.395 57.530 105 2HB GLU 15 1HB GLU 15 63.368 49.085 57.874 106 1HG GLU 15 2HG GLU 15 62.819 50.061 55.050 107 2HG GLU 15 1HG GLU 15 64.252 50.576 56.129 108 H ASN 16 H ASN 16 60.907 49.402 59.045 109 HA ASN 16 HA ASN 16 61.025 46.815 60.404 110 1HB ASN 16 2HB ASN 16 60.320 49.656 61.324 111 2HB ASN 16 1HB ASN 16 60.410 48.118 62.417 112 1HD2 ASN 16 2HD2 ASN 16 63.693 49.857 62.534 113 2HD2 ASN 16 1HD2 ASN 16 61.875 50.244 62.935 114 H PHE 17 H PHE 17 58.610 49.342 60.530 115 HA PHE 17 HA PHE 17 56.252 49.335 60.533 116 1HB PHE 17 2HB PHE 17 57.028 47.160 58.776 117 2HB PHE 17 1HB PHE 17 55.773 46.491 59.881 118 HD1 PHE 17 HD1 PHE 17 56.616 48.946 57.372 119 HD2 PHE 17 HD2 PHE 17 53.497 47.484 59.809 120 HE1 PHE 17 HE1 PHE 17 54.918 50.220 56.010 121 HE2 PHE 17 HE2 PHE 17 51.777 48.755 58.457 122 HZ PHE 17 HZ PHE 17 52.452 50.113 56.591 123 H GLU 18 H GLU 18 56.964 45.924 61.326 124 HA GLU 18 HA GLU 18 55.136 46.200 63.688 125 1HB GLU 18 2HB GLU 18 55.251 43.826 63.681 126 2HB GLU 18 1HB GLU 18 55.961 44.115 62.009 127 1HG GLU 18 2HG GLU 18 57.679 43.840 64.555 128 2HG GLU 18 1HG GLU 18 57.183 42.440 63.434 129 H GLY 19 H GLY 19 58.532 46.248 63.104 130 1HA GLY 19 1HA GLY 19 59.237 45.856 65.951 131 2HA GLY 19 2HA GLY 19 60.340 46.468 64.692 132 H TYR 20 H TYR 20 58.038 48.441 63.925 133 HA TYR 20 HA TYR 20 59.028 50.586 65.706 134 1HB TYR 20 2HB TYR 20 58.345 51.356 63.554 135 2HB TYR 20 1HB TYR 20 56.908 50.252 63.524 136 HD1 TYR 20 HD1 TYR 20 58.264 52.807 65.859 137 HD2 TYR 20 HD2 TYR 20 54.999 51.368 63.484 138 HE1 TYR 20 HE1 TYR 20 56.818 54.717 66.708 139 HE2 TYR 20 HE2 TYR 20 53.522 53.171 64.241 140 HH TYR 20 HH TYR 20 53.392 54.856 65.695 141 H MET 21 H MET 21 56.023 48.805 65.145 142 HA MET 21 HA MET 21 54.407 49.949 67.187 143 1HB MET 21 2HB MET 21 54.545 47.468 65.369 144 2HB MET 21 1HB MET 21 53.556 47.304 66.810 145 1HG MET 21 2HG MET 21 51.962 48.832 65.999 146 2HG MET 21 1HG MET 21 53.127 49.919 65.264 147 1HE MET 21 3HE MET 21 50.883 49.868 64.148 148 2HE MET 21 2HE MET 21 51.728 50.171 62.706 149 3HE MET 21 1HE MET 21 50.422 48.855 62.720 150 H LYS 22 H LYS 22 56.809 47.545 67.174 151 HA LYS 22 HA LYS 22 56.175 46.457 69.831 152 1HB LYS 22 2HB LYS 22 58.445 46.167 67.733 153 2HB LYS 22 1HB LYS 22 58.606 45.503 69.426 154 1HG LYS 22 2HG LYS 22 56.359 44.376 69.162 155 2HG LYS 22 1HG LYS 22 56.570 44.595 67.345 156 1HD LYS 22 2HD LYS 22 58.453 43.272 69.401 157 2HD LYS 22 1HD LYS 22 57.554 42.382 68.037 158 1HE LYS 22 2HE LYS 22 58.822 44.021 66.470 159 2HE LYS 22 1HE LYS 22 59.853 44.460 67.921 160 1HZ LYS 22 1HZ LYS 22 60.363 42.091 68.049 161 2HZ LYS 22 3HZ LYS 22 59.584 41.751 66.620 162 3HZ LYS 22 2HZ LYS 22 60.892 42.710 66.551 163 H ALA 23 H ALA 23 57.970 48.969 68.429 164 HA ALA 23 HA ALA 23 59.843 49.162 70.662 165 1HB ALA 23 3HB ALA 23 59.185 51.216 68.466 166 2HB ALA 23 2HB ALA 23 60.428 51.421 69.796 167 3HB ALA 23 1HB ALA 23 60.587 50.039 68.615 168 H LEU 24 H LEU 24 56.745 50.314 69.944 169 HA LEU 24 HA LEU 24 56.640 51.932 72.508 170 1HB LEU 24 2HB LEU 24 54.766 53.176 71.556 171 2HB LEU 24 1HB LEU 24 56.119 53.158 70.371 172 HG LEU 24 HG LEU 24 54.417 50.809 69.726 173 1HD1 LEU 24 2HD1 LEU 24 52.910 52.778 71.121 174 2HD1 LEU 24 1HD1 LEU 24 52.658 53.094 69.388 175 3HD1 LEU 24 3HD1 LEU 24 52.324 51.400 70.051 176 1HD2 LEU 24 1HD2 LEU 24 55.903 52.708 68.349 177 2HD2 LEU 24 3HD2 LEU 24 54.552 51.795 67.597 178 3HD2 LEU 24 2HD2 LEU 24 54.275 53.462 68.215 179 H ASP 25 H ASP 25 56.587 49.206 71.812 180 HA ASP 25 HA ASP 25 55.440 47.145 71.991 181 1HB ASP 25 2HB ASP 25 55.180 47.083 74.668 182 2HB ASP 25 1HB ASP 25 56.831 47.389 73.865 183 H ILE 26 H ILE 26 53.680 47.543 70.796 184 HA ILE 26 HA ILE 26 51.125 48.388 72.135 185 HB ILE 26 HB ILE 26 52.076 49.334 69.893 186 1HG1 ILE 26 2HG1 ILE 26 49.698 48.954 68.785 187 2HG1 ILE 26 1HG1 ILE 26 49.354 48.029 70.285 188 1HG2 ILE 26 1HG2 ILE 26 51.101 46.556 68.982 189 2HG2 ILE 26 3HG2 ILE 26 51.583 47.934 67.867 190 3HG2 ILE 26 2HG2 ILE 26 52.801 47.093 68.965 191 1HD1 ILE 26 1HD1 ILE 26 50.540 50.883 70.411 192 2HD1 ILE 26 3HD1 ILE 26 48.763 50.572 70.450 193 3HD1 ILE 26 2HD1 ILE 26 49.798 49.949 71.772 194 H ASP 27 H ASP 27 52.696 45.707 70.428 195 HA ASP 27 HA ASP 27 51.165 43.801 71.941 196 1HB ASP 27 2HB ASP 27 49.596 44.931 69.814 197 2HB ASP 27 1HB ASP 27 50.254 43.356 69.106 198 H PHE 28 H PHE 28 51.073 41.665 69.883 199 HA PHE 28 HA PHE 28 53.911 41.615 69.042 200 1HB PHE 28 2HB PHE 28 52.588 39.355 70.730 201 2HB PHE 28 1HB PHE 28 54.323 39.506 70.245 202 HD1 PHE 28 HD1 PHE 28 55.745 41.217 71.295 203 HD2 PHE 28 HD2 PHE 28 51.676 40.724 72.563 204 HE1 PHE 28 HE1 PHE 28 56.203 42.578 73.394 205 HE2 PHE 28 HE2 PHE 28 52.132 42.087 74.607 206 HZ PHE 28 HZ PHE 28 54.411 43.014 75.027 207 H ALA 29 H ALA 29 51.971 41.960 67.408 208 HA ALA 29 HA ALA 29 52.146 40.559 65.124 209 1HB ALA 29 1HB ALA 29 50.601 38.898 67.232 210 2HB ALA 29 3HB ALA 29 49.813 39.037 65.595 211 3HB ALA 29 2HB ALA 29 51.465 38.338 65.728 212 H THR 30 H THR 30 52.002 42.523 64.942 213 HA THR 30 HA THR 30 49.141 43.235 64.378 214 HB THR 30 HB THR 30 51.012 45.331 65.497 215 HG1 THR 30 1HG THR 30 49.288 43.536 66.877 216 1HG2 THR 30 3HG2 THR 30 48.628 45.883 64.485 217 2HG2 THR 30 2HG2 THR 30 47.948 44.823 65.835 218 3HG2 THR 30 1HG2 THR 30 48.862 46.308 66.259 219 H ARG 31 H ARG 31 51.534 42.363 63.031 220 HA ARG 31 HA ARG 31 51.837 44.508 60.933 221 1HB ARG 31 2HB ARG 31 54.008 43.927 60.472 222 2HB ARG 31 1HB ARG 31 53.902 43.929 62.281 223 1HG ARG 31 2HG ARG 31 53.506 41.196 60.922 224 2HG ARG 31 1HG ARG 31 55.151 41.964 60.879 225 1HD ARG 31 2HD ARG 31 55.486 41.480 63.058 226 2HD ARG 31 1HD ARG 31 53.904 42.145 63.603 227 HE ARG 31 HE ARG 31 53.274 39.828 62.272 228 1HH1 ARG 31 2HH2 ARG 31 55.415 40.594 65.078 229 2HH1 ARG 31 1HH2 ARG 31 55.221 39.026 65.829 230 1HH2 ARG 31 1HH1 ARG 31 53.015 37.745 63.296 231 2HH2 ARG 31 2HH1 ARG 31 53.870 37.444 64.820 232 H LYS 32 H LYS 32 49.836 42.230 61.178 233 HA LYS 32 HA LYS 32 50.728 40.701 58.713 234 1HB LYS 32 2HB LYS 32 48.767 39.157 59.560 235 2HB LYS 32 1HB LYS 32 50.409 39.227 60.384 236 1HG LYS 32 2HG LYS 32 49.500 40.200 62.370 237 2HG LYS 32 1HG LYS 32 48.269 41.095 61.467 238 1HD LYS 32 2HD LYS 32 47.078 39.412 62.593 239 2HD LYS 32 1HD LYS 32 47.112 39.053 60.818 240 1HE LYS 32 2HE LYS 32 49.426 37.753 62.056 241 2HE LYS 32 1HE LYS 32 47.927 37.206 62.911 242 1HZ LYS 32 3HZ LYS 32 47.104 37.177 60.401 243 2HZ LYS 32 2HZ LYS 32 48.697 36.607 60.223 244 3HZ LYS 32 1HZ LYS 32 47.622 35.857 61.223 245 H ILE 33 H ILE 33 49.291 43.379 59.468 246 HA ILE 33 HA ILE 33 47.513 43.382 57.160 247 HB ILE 33 HB ILE 33 45.545 44.236 58.783 248 1HG1 ILE 33 2HG1 ILE 33 45.224 42.718 60.800 249 2HG1 ILE 33 1HG1 ILE 33 46.741 41.826 60.316 250 1HG2 ILE 33 1HG2 ILE 33 45.674 42.241 57.055 251 2HG2 ILE 33 3HG2 ILE 33 45.587 41.215 58.574 252 3HG2 ILE 33 2HG2 ILE 33 44.303 42.419 58.178 253 1HD1 ILE 33 1HD1 ILE 33 47.964 44.191 60.663 254 2HD1 ILE 33 3HD1 ILE 33 46.438 44.644 61.549 255 3HD1 ILE 33 2HD1 ILE 33 47.388 43.207 62.083 256 H ALA 34 H ALA 34 49.159 44.971 57.005 257 HA ALA 34 HA ALA 34 48.153 47.611 57.263 258 1HB ALA 34 2HB ALA 34 49.081 46.702 59.842 259 2HB ALA 34 1HB ALA 34 50.430 47.712 59.278 260 3HB ALA 34 3HB ALA 34 48.745 48.422 59.393 261 H VAL 35 H VAL 35 50.842 45.545 57.611 262 HA VAL 35 HA VAL 35 53.219 46.433 57.032 263 HB VAL 35 HB VAL 35 51.622 44.537 55.213 264 1HG1 VAL 35 2HG1 VAL 35 54.676 45.011 55.445 265 2HG1 VAL 35 1HG1 VAL 35 53.961 43.659 54.493 266 3HG1 VAL 35 3HG1 VAL 35 53.685 45.352 53.976 267 1HG2 VAL 35 3HG2 VAL 35 53.552 44.198 57.599 268 2HG2 VAL 35 2HG2 VAL 35 51.831 43.595 57.433 269 3HG2 VAL 35 1HG2 VAL 35 53.218 42.820 56.482 270 H ARG 36 H ARG 36 50.774 46.348 54.709 271 HA ARG 36 HA ARG 36 50.883 48.758 53.403 272 1HB ARG 36 2HB ARG 36 53.025 48.909 52.692 273 2HB ARG 36 1HB ARG 36 53.211 47.063 52.669 274 1HG ARG 36 2HG ARG 36 51.405 48.307 50.514 275 2HG ARG 36 1HG ARG 36 53.168 48.741 50.455 276 1HD ARG 36 2HD ARG 36 52.861 45.893 51.151 277 2HD ARG 36 1HD ARG 36 51.860 46.261 49.698 278 HE ARG 36 HE ARG 36 53.849 46.880 48.522 279 1HH1 ARG 36 2HH2 ARG 36 54.617 45.870 51.932 280 2HH1 ARG 36 1HH2 ARG 36 56.330 45.721 51.480 281 1HH2 ARG 36 2HH1 ARG 36 56.060 46.626 48.103 282 2HH2 ARG 36 1HH1 ARG 36 57.150 46.127 49.381 283 H LEU 37 H LEU 37 49.154 48.830 52.625 284 HA LEU 37 HA LEU 37 48.377 46.988 50.436 285 1HB LEU 37 2HB LEU 37 45.911 47.163 51.729 286 2HB LEU 37 1HB LEU 37 47.081 45.824 52.102 287 HG LEU 37 HG LEU 37 47.269 48.467 53.612 288 1HD1 LEU 37 1HD1 LEU 37 44.971 46.522 53.609 289 2HD1 LEU 37 3HD1 LEU 37 45.701 46.777 55.228 290 3HD1 LEU 37 2HD1 LEU 37 45.148 48.223 54.254 291 1HD2 LEU 37 1HD2 LEU 37 48.291 45.603 53.749 292 2HD2 LEU 37 3HD2 LEU 37 48.890 47.175 54.505 293 3HD2 LEU 37 2HD2 LEU 37 47.548 46.195 55.284 294 H THR 38 H THR 38 48.902 48.596 49.250 295 HA THR 38 HA THR 38 48.453 50.269 47.878 296 HB THR 38 HB THR 38 45.864 50.596 49.543 297 HG1 THR 38 1HG THR 38 45.081 49.009 48.047 298 1HG2 THR 38 2HG2 THR 38 46.151 52.321 47.589 299 2HG2 THR 38 1HG2 THR 38 46.322 50.863 46.511 300 3HG2 THR 38 3HG2 THR 38 44.751 51.195 47.375 301 H GLN 39 H GLN 39 50.227 50.751 49.867 302 HA GLN 39 HA GLN 39 49.360 53.125 51.291 303 1HB GLN 39 2HB GLN 39 50.947 51.484 52.302 304 2HB GLN 39 1HB GLN 39 52.111 51.835 50.917 305 1HG GLN 39 2HG GLN 39 52.864 53.670 51.865 306 2HG GLN 39 1HG GLN 39 51.111 54.271 52.166 307 1HE2 GLN 39 2HE2 GLN 39 52.215 54.387 55.456 308 2HE2 GLN 39 1HE2 GLN 39 52.098 55.223 53.927 309 H THR 40 H THR 40 49.749 55.016 50.992 310 HA THR 40 HA THR 40 51.542 56.332 49.059 311 HB THR 40 HB THR 40 48.468 56.628 48.995 312 HG1 THR 40 1HG THR 40 50.159 55.296 47.435 313 1HG2 THR 40 3HG2 THR 40 50.332 58.761 48.664 314 2HG2 THR 40 2HG2 THR 40 50.102 58.167 46.959 315 3HG2 THR 40 1HG2 THR 40 48.693 58.665 47.958 316 H LYS 41 H LYS 41 52.467 57.860 50.037 317 HA LYS 41 HA LYS 41 50.945 59.114 52.399 318 1HB LYS 41 2HB LYS 41 53.291 58.523 53.108 319 2HB LYS 41 1HB LYS 41 53.888 59.015 51.470 320 1HG LYS 41 2HG LYS 41 52.579 61.148 53.204 321 2HG LYS 41 1HG LYS 41 54.174 60.467 53.728 322 1HD LYS 41 2HD LYS 41 55.184 61.157 51.560 323 2HD LYS 41 1HD LYS 41 53.601 61.667 50.899 324 1HE LYS 41 2HE LYS 41 55.354 63.394 51.899 325 2HE LYS 41 1HE LYS 41 53.533 63.557 52.141 326 1HZ LYS 41 3HZ LYS 41 55.361 62.234 54.052 327 2HZ LYS 41 2HZ LYS 41 55.041 63.871 54.138 328 3HZ LYS 41 1HZ LYS 41 53.801 62.718 54.350 329 H ILE 42 H ILE 42 50.774 61.339 52.492 330 HA ILE 42 HA ILE 42 51.544 62.859 49.987 331 HB ILE 42 HB ILE 42 48.712 62.971 51.304 332 1HG1 ILE 42 2HG1 ILE 42 48.372 62.435 48.643 333 2HG1 ILE 42 1HG1 ILE 42 49.748 61.310 49.089 334 1HG2 ILE 42 3HG2 ILE 42 49.953 64.506 48.963 335 2HG2 ILE 42 2HG2 ILE 42 48.176 64.309 49.170 336 3HG2 ILE 42 1HG2 ILE 42 49.113 65.145 50.426 337 1HD1 ILE 42 3HD1 ILE 42 47.141 61.700 50.769 338 2HD1 ILE 42 2HD1 ILE 42 47.337 60.306 49.641 339 3HD1 ILE 42 1HD1 ILE 42 48.415 60.457 51.087 340 H ILE 43 H ILE 43 51.464 65.027 50.089 341 HA ILE 43 HA ILE 43 51.895 66.080 52.933 342 HB ILE 43 HB ILE 43 53.748 65.385 51.383 343 1HG1 ILE 43 2HG1 ILE 43 54.144 68.345 52.016 344 2HG1 ILE 43 1HG1 ILE 43 53.399 67.336 53.305 345 1HG2 ILE 43 1HG2 ILE 43 52.917 68.018 50.017 346 2HG2 ILE 43 3HG2 ILE 43 54.530 67.174 49.763 347 3HG2 ILE 43 2HG2 ILE 43 52.971 66.355 49.257 348 1HD1 ILE 43 3HD1 ILE 43 55.801 66.234 51.734 349 2HD1 ILE 43 2HD1 ILE 43 56.198 67.517 52.912 350 3HD1 ILE 43 1HD1 ILE 43 55.294 66.000 53.451 351 H VAL 44 H VAL 44 50.883 67.913 53.373 352 HA VAL 44 HA VAL 44 49.762 69.553 51.048 353 HB VAL 44 HB VAL 44 48.254 68.996 53.649 354 1HG1 VAL 44 2HG1 VAL 44 47.989 70.708 51.266 355 2HG1 VAL 44 1HG1 VAL 44 46.476 69.697 51.627 356 3HG1 VAL 44 3HG1 VAL 44 47.184 70.797 52.866 357 1HG2 VAL 44 3HG2 VAL 44 48.582 66.895 51.837 358 2HG2 VAL 44 2HG2 VAL 44 47.063 67.239 52.749 359 3HG2 VAL 44 1HG2 VAL 44 47.208 67.791 51.061 360 H GLN 45 H GLN 45 51.519 70.898 51.429 361 HA GLN 45 HA GLN 45 51.574 72.303 54.036 362 1HB GLN 45 2HB GLN 45 53.579 71.225 52.989 363 2HB GLN 45 1HB GLN 45 53.521 72.439 51.615 364 1HG GLN 45 2HG GLN 45 53.367 73.504 54.478 365 2HG GLN 45 1HG GLN 45 55.009 72.898 53.860 366 1HE2 GLN 45 1HE2 GLN 45 55.147 75.420 51.321 367 2HE2 GLN 45 2HE2 GLN 45 55.518 73.625 51.785 368 H ASP 46 H ASP 46 50.232 73.728 54.242 369 HA ASP 46 HA ASP 46 49.822 75.521 51.946 370 1HB ASP 46 2HB ASP 46 47.819 74.652 53.054 371 2HB ASP 46 1HB ASP 46 48.419 75.164 54.693 372 H GLY 47 H GLY 47 51.520 75.315 54.764 373 1HA GLY 47 1HA GLY 47 53.287 77.324 54.747 374 2HA GLY 47 2HA GLY 47 51.793 78.288 55.300 375 H ASP 48 H ASP 48 51.011 78.149 57.080 376 HA ASP 48 HA ASP 48 52.827 76.999 59.184 377 1HB ASP 48 2HB ASP 48 50.215 78.659 59.273 378 2HB ASP 48 1HB ASP 48 51.117 78.106 60.852 379 H ASN 49 H ASN 49 50.177 76.242 57.476 380 HA ASN 49 HA ASN 49 49.243 74.059 59.302 381 1HB ASN 49 2HB ASN 49 47.786 75.579 56.998 382 2HB ASN 49 1HB ASN 49 47.216 73.986 57.742 383 1HD2 ASN 49 1HD2 ASN 49 47.376 77.370 60.070 384 2HD2 ASN 49 2HD2 ASN 49 48.694 76.989 58.753 385 H PHE 50 H PHE 50 50.674 72.528 58.858 386 HA PHE 50 HA PHE 50 51.008 71.517 56.077 387 1HB PHE 50 2HB PHE 50 53.102 72.256 57.175 388 2HB PHE 50 1HB PHE 50 52.745 71.244 58.622 389 HD1 PHE 50 HD2 PHE 50 53.273 71.242 54.941 390 HD2 PHE 50 HD1 PHE 50 53.289 68.900 58.627 391 HE1 PHE 50 HE2 PHE 50 54.290 69.368 53.716 392 HE2 PHE 50 HE1 PHE 50 54.337 67.017 57.345 393 HZ PHE 50 HZ PHE 50 54.814 67.251 54.982 394 H LYS 51 H LYS 51 49.447 69.919 55.723 395 HA LYS 51 HA LYS 51 49.308 67.922 57.926 396 1HB LYS 51 2HB LYS 51 47.255 68.338 55.692 397 2HB LYS 51 1HB LYS 51 47.106 67.328 57.186 398 1HG LYS 51 2HG LYS 51 46.612 69.379 58.506 399 2HG LYS 51 1HG LYS 51 47.703 70.375 57.470 400 1HD LYS 51 2HD LYS 51 45.960 69.876 55.612 401 2HD LYS 51 1HD LYS 51 44.970 69.101 56.943 402 1HE LYS 51 2HE LYS 51 44.917 71.160 58.189 403 2HE LYS 51 1HE LYS 51 46.064 71.977 57.011 404 1HZ LYS 51 1HZ LYS 51 44.140 71.481 55.335 405 2HZ LYS 51 3HZ LYS 51 43.236 71.121 56.663 406 3HZ LYS 51 2HZ LYS 51 43.806 72.701 56.421 407 H THR 52 H THR 52 51.075 66.709 57.305 408 HA THR 52 HA THR 52 51.172 65.445 54.650 409 HB THR 52 HB THR 52 52.410 65.197 57.426 410 HG1 THR 52 1HG THR 52 52.922 66.050 55.280 411 1HG2 THR 52 2HG2 THR 52 52.099 62.799 55.391 412 2HG2 THR 52 1HG2 THR 52 53.472 62.882 56.577 413 3HG2 THR 52 3HG2 THR 52 51.795 62.724 57.175 414 H LYS 53 H LYS 53 49.649 64.109 53.844 415 HA LYS 53 HA LYS 53 48.240 62.363 55.973 416 1HB LYS 53 2HB LYS 53 46.064 62.771 54.767 417 2HB LYS 53 1HB LYS 53 46.822 64.354 55.111 418 1HG LYS 53 2HG LYS 53 47.678 64.403 52.758 419 2HG LYS 53 1HG LYS 53 47.043 62.680 52.530 420 1HD LYS 53 2HD LYS 53 45.074 64.608 53.550 421 2HD LYS 53 1HD LYS 53 45.541 64.751 51.752 422 1HE LYS 53 2HE LYS 53 44.418 62.822 51.261 423 2HE LYS 53 1HE LYS 53 45.233 61.962 52.670 424 1HZ LYS 53 3HZ LYS 53 43.216 63.861 53.502 425 2HZ LYS 53 2HZ LYS 53 42.573 62.702 52.522 426 3HZ LYS 53 1HZ LYS 53 43.405 62.226 53.891 427 H THR 54 H THR 54 47.533 60.489 55.468 428 HA THR 54 HA THR 54 49.023 59.208 53.210 429 HB THR 54 HB THR 54 49.403 58.405 55.527 430 HG1 THR 54 1HG THR 54 49.926 57.032 54.141 431 1HG2 THR 54 1HG2 THR 54 46.599 58.503 55.624 432 2HG2 THR 54 3HG2 THR 54 46.866 56.704 55.501 433 3HG2 THR 54 2HG2 THR 54 47.599 57.586 56.868 434 H ASN 55 H ASN 55 47.906 57.073 52.422 435 HA ASN 55 HA ASN 55 44.976 57.498 52.133 436 1HB ASN 55 2HB ASN 55 46.207 58.983 50.507 437 2HB ASN 55 1HB ASN 55 46.495 57.407 49.484 438 1HD2 ASN 55 2HD2 ASN 55 42.703 58.923 50.177 439 2HD2 ASN 55 1HD2 ASN 55 44.145 59.323 51.282 440 H SER 56 H SER 56 46.418 55.654 53.334 441 HA SER 56 HA SER 56 46.556 53.065 51.929 442 1HB SER 56 2HB SER 56 47.184 52.278 53.996 443 2HB SER 56 1HB SER 56 47.619 54.111 54.202 444 HG SER 56 HG SER 56 45.798 54.396 55.270 445 H THR 57 H THR 57 45.509 51.265 52.683 446 HA THR 57 HA THR 57 42.539 51.692 52.750 447 HB THR 57 HB THR 57 44.119 49.187 52.077 448 HG1 THR 57 1HG THR 57 44.122 49.795 50.119 449 1HG2 THR 57 1HG2 THR 57 41.174 50.029 52.013 450 2HG2 THR 57 3HG2 THR 57 41.760 48.686 50.911 451 3HG2 THR 57 2HG2 THR 57 41.910 48.500 52.672 452 H PHE 58 H PHE 58 45.064 51.233 54.735 453 HA PHE 58 HA PHE 58 43.454 49.455 56.596 454 1HB PHE 58 2HB PHE 58 45.488 49.056 58.010 455 2HB PHE 58 1HB PHE 58 45.454 48.346 56.315 456 HD1 PHE 58 HD2 PHE 58 46.606 50.050 54.536 457 HD2 PHE 58 HD1 PHE 58 47.526 49.867 58.718 458 HE1 PHE 58 HE2 PHE 58 48.858 51.011 54.133 459 HE2 PHE 58 HE1 PHE 58 49.752 50.834 58.299 460 HZ PHE 58 HZ PHE 58 50.420 51.412 55.957 461 H ARG 59 H ARG 59 45.857 52.073 56.684 462 HA ARG 59 HA ARG 59 44.022 53.336 58.852 463 1HB ARG 59 2HB ARG 59 46.957 52.711 58.968 464 2HB ARG 59 1HB ARG 59 46.279 54.116 59.941 465 1HG ARG 59 2HG ARG 59 44.380 52.153 60.494 466 2HG ARG 59 1HG ARG 59 45.866 51.157 60.164 467 1HD ARG 59 2HD ARG 59 47.113 52.502 61.934 468 2HD ARG 59 1HD ARG 59 45.664 53.532 62.124 469 HE ARG 59 HE ARG 59 44.716 51.905 63.464 470 1HH1 ARG 59 2HH2 ARG 59 47.354 50.463 61.527 471 2HH1 ARG 59 1HH2 ARG 59 47.279 48.912 62.351 472 1HH2 ARG 59 2HH1 ARG 59 44.724 49.756 64.516 473 2HH2 ARG 59 1HH1 ARG 59 45.798 48.495 64.043 474 H ASN 60 H ASN 60 43.370 55.086 58.431 475 HA ASN 60 HA ASN 60 45.239 57.032 57.052 476 1HB ASN 60 2HB ASN 60 42.990 55.997 55.965 477 2HB ASN 60 1HB ASN 60 42.225 57.469 56.780 478 1HD2 ASN 60 1HD2 ASN 60 44.332 59.768 55.067 479 2HD2 ASN 60 2HD2 ASN 60 43.632 59.448 56.668 480 H TYR 61 H TYR 61 45.896 58.005 58.719 481 HA TYR 61 HA TYR 61 43.897 59.223 60.567 482 1HB TYR 61 2HB TYR 61 46.303 57.877 61.130 483 2HB TYR 61 1HB TYR 61 46.815 59.633 61.278 484 HD1 TYR 61 HD2 TYR 61 44.765 61.076 62.623 485 HD2 TYR 61 HD1 TYR 61 45.852 56.898 63.016 486 HE1 TYR 61 HE2 TYR 61 43.853 61.005 64.886 487 HE2 TYR 61 HE1 TYR 61 44.925 56.846 65.288 488 HH TYR 61 HH TYR 61 43.016 58.332 66.509 489 H ASP 62 H ASP 62 47.109 59.882 59.380 490 HA ASP 62 HA ASP 62 47.980 61.571 57.950 491 1HB ASP 62 2HB ASP 62 46.769 63.137 56.956 492 2HB ASP 62 1HB ASP 62 45.287 62.156 57.563 493 H LEU 63 H LEU 63 48.572 63.946 58.263 494 HA LEU 63 HA LEU 63 49.398 64.169 61.163 495 1HB LEU 63 2HB LEU 63 51.145 63.804 59.202 496 2HB LEU 63 1HB LEU 63 50.805 65.512 58.747 497 HG LEU 63 HG LEU 63 51.056 65.845 61.447 498 1HD1 LEU 63 2HD1 LEU 63 52.324 63.202 60.846 499 2HD1 LEU 63 1HD1 LEU 63 52.953 64.213 62.235 500 3HD1 LEU 63 3HD1 LEU 63 51.227 63.672 62.175 501 1HD2 LEU 63 2HD2 LEU 63 53.001 65.939 59.129 502 2HD2 LEU 63 1HD2 LEU 63 52.642 67.138 60.410 503 3HD2 LEU 63 3HD2 LEU 63 53.788 65.745 60.777 504 H ASP 64 H ASP 64 46.905 65.206 60.607 505 HA ASP 64 HA ASP 64 46.993 67.920 59.668 506 1HB ASP 64 2HB ASP 64 44.918 66.414 60.143 507 2HB ASP 64 1HB ASP 64 45.149 66.792 61.954 508 H PHE 65 H PHE 65 48.774 68.833 60.302 509 HA PHE 65 HA PHE 65 49.096 69.574 63.200 510 1HB PHE 65 2HB PHE 65 50.924 68.366 61.134 511 2HB PHE 65 1HB PHE 65 51.553 69.850 61.901 512 HD1 PHE 65 HD1 PHE 65 49.176 67.665 63.796 513 HD2 PHE 65 HD2 PHE 65 53.278 68.655 62.804 514 HE1 PHE 65 HE1 PHE 65 49.974 66.399 65.733 515 HE2 PHE 65 HE2 PHE 65 54.053 67.400 64.713 516 HZ PHE 65 HZ PHE 65 52.473 66.251 66.218 517 H THR 66 H THR 66 50.849 71.317 63.038 518 HA THR 66 HA THR 66 50.747 73.292 60.914 519 HB THR 66 HB THR 66 48.932 73.385 63.311 520 HG1 THR 66 1HG THR 66 47.730 73.640 61.755 521 1HG2 THR 66 1HG2 THR 66 50.833 75.675 62.929 522 2HG2 THR 66 3HG2 THR 66 49.307 76.139 62.110 523 3HG2 THR 66 2HG2 THR 66 49.280 75.690 63.840 524 H VAL 67 H VAL 67 52.675 74.018 60.952 525 HA VAL 67 HA VAL 67 54.766 73.396 62.650 526 HB VAL 67 HB VAL 67 54.436 76.252 61.521 527 1HG1 VAL 67 1HG1 VAL 67 56.470 74.834 62.896 528 2HG1 VAL 67 3HG1 VAL 67 56.988 74.825 61.130 529 3HG1 VAL 67 2HG1 VAL 67 56.630 76.406 61.991 530 1HG2 VAL 67 2HG2 VAL 67 55.002 73.496 60.156 531 2HG2 VAL 67 1HG2 VAL 67 53.900 74.863 59.632 532 3HG2 VAL 67 3HG2 VAL 67 55.667 75.094 59.548 533 H GLY 68 H GLY 68 55.277 73.458 64.554 534 1HA GLY 68 1HA GLY 68 55.648 74.498 66.702 535 2HA GLY 68 2HA GLY 68 54.924 76.052 66.028 536 H VAL 69 H VAL 69 53.180 73.133 65.758 537 HA VAL 69 HA VAL 69 50.873 74.263 67.199 538 HB VAL 69 HB VAL 69 51.726 71.748 65.770 539 1HG1 VAL 69 2HG1 VAL 69 49.926 71.392 68.207 540 2HG1 VAL 69 1HG1 VAL 69 49.794 70.390 66.765 541 3HG1 VAL 69 3HG1 VAL 69 51.407 70.502 67.660 542 1HG2 VAL 69 1HG2 VAL 69 49.895 73.761 65.347 543 2HG2 VAL 69 3HG2 VAL 69 49.617 72.095 64.638 544 3HG2 VAL 69 2HG2 VAL 69 48.823 72.571 66.200 545 H GLU 70 H GLU 70 53.607 72.153 67.890 546 HA GLU 70 HA GLU 70 54.129 71.083 69.923 547 1HB GLU 70 2HB GLU 70 54.253 73.625 70.623 548 2HB GLU 70 1HB GLU 70 52.541 73.388 71.205 549 1HG GLU 70 2HG GLU 70 53.802 73.123 73.111 550 2HG GLU 70 1HG GLU 70 53.532 71.319 72.537 551 H PHE 71 H PHE 71 53.024 69.602 69.138 552 HA PHE 71 HA PHE 71 50.219 69.173 70.044 553 1HB PHE 71 2HB PHE 71 51.435 68.321 67.881 554 2HB PHE 71 1HB PHE 71 51.898 66.905 68.903 555 HD1 PHE 71 HD2 PHE 71 48.981 69.109 68.387 556 HD2 PHE 71 HD1 PHE 71 50.300 65.099 68.575 557 HE1 PHE 71 HE2 PHE 71 46.603 68.302 67.929 558 HE2 PHE 71 HE1 PHE 71 48.037 64.278 68.131 559 HZ PHE 71 HZ PHE 71 46.205 65.860 67.812 560 H ASP 72 H ASP 72 49.565 68.357 71.894 561 HA ASP 72 HA ASP 72 51.445 66.776 73.608 562 1HB ASP 72 2HB ASP 72 48.455 67.473 73.931 563 2HB ASP 72 1HB ASP 72 49.661 67.138 75.297 564 H GLU 73 H GLU 73 51.036 65.396 71.440 565 HA GLU 73 HA GLU 73 49.228 63.772 70.451 566 1HB GLU 73 2HB GLU 73 51.941 63.613 70.788 567 2HB GLU 73 1HB GLU 73 51.400 62.130 71.672 568 1HG GLU 73 2HG GLU 73 50.126 61.333 69.829 569 2HG GLU 73 1HG GLU 73 50.324 62.930 68.865 570 H HIS 74 H HIS 74 47.486 63.219 71.199 571 HA HIS 74 HA HIS 74 47.331 61.802 73.838 572 1HB HIS 74 2HB HIS 74 45.812 63.879 72.830 573 2HB HIS 74 1HB HIS 74 44.760 62.419 72.473 574 HD1 HIS 74 HD1 HIS 74 47.081 62.981 75.530 575 HD2 HIS 74 HD2 HIS 74 43.051 62.350 74.390 576 HE1 HIS 74 HE1 HIS 74 45.689 62.643 77.718 577 HE2 HIS 74 HE2 HIS 74 43.317 62.272 77.000 578 H THR 75 H THR 75 48.525 60.382 72.297 579 HA THR 75 HA THR 75 47.328 58.637 70.444 580 HB THR 75 HB THR 75 48.989 56.955 71.703 581 HG1 THR 75 1HG THR 75 50.527 58.957 72.470 582 1HG2 THR 75 3HG2 THR 75 49.357 59.570 70.082 583 2HG2 THR 75 2HG2 THR 75 50.936 58.807 70.626 584 3HG2 THR 75 1HG2 THR 75 49.826 57.852 69.605 585 H LYS 76 H LYS 76 47.154 56.372 70.744 586 HA LYS 76 HA LYS 76 46.368 54.846 72.966 587 1HB LYS 76 2HB LYS 76 43.853 55.013 73.050 588 2HB LYS 76 1HB LYS 76 44.764 56.412 73.735 589 1HG LYS 76 2HG LYS 76 44.512 57.149 71.045 590 2HG LYS 76 1HG LYS 76 42.986 56.230 71.292 591 1HD LYS 76 2HD LYS 76 43.705 58.142 73.450 592 2HD LYS 76 1HD LYS 76 43.417 58.938 71.810 593 1HE LYS 76 2HE LYS 76 41.533 57.206 73.521 594 2HE LYS 76 1HE LYS 76 41.241 58.888 72.992 595 1HZ LYS 76 3HZ LYS 76 41.540 57.557 70.604 596 2HZ LYS 76 2HZ LYS 76 40.657 56.452 71.495 597 3HZ LYS 76 1HZ LYS 76 40.147 58.019 71.304 598 H GLY 77 H GLY 77 45.381 55.919 69.901 599 1HA GLY 77 1HA GLY 77 43.738 53.857 68.919 600 2HA GLY 77 2HA GLY 77 44.726 54.925 67.866 601 H LEU 78 H LEU 78 47.061 54.175 69.449 602 HA LEU 78 HA LEU 78 47.822 51.425 68.675 603 1HB LEU 78 2HB LEU 78 47.664 52.974 66.594 604 2HB LEU 78 1HB LEU 78 49.172 53.778 67.215 605 HG LEU 78 HG LEU 78 50.066 51.269 67.409 606 1HD1 LEU 78 3HD1 LEU 78 47.798 50.419 66.474 607 2HD1 LEU 78 2HD1 LEU 78 48.398 51.031 64.904 608 3HD1 LEU 78 1HD1 LEU 78 49.368 49.735 65.821 609 1HD2 LEU 78 3HD2 LEU 78 50.605 53.489 65.878 610 2HD2 LEU 78 2HD2 LEU 78 51.416 51.932 65.636 611 3HD2 LEU 78 1HD2 LEU 78 50.011 52.360 64.561 612 H ASP 79 H ASP 79 48.006 53.341 71.135 613 HA ASP 79 HA ASP 79 50.806 52.755 71.529 614 1HB ASP 79 2HB ASP 79 50.620 55.638 71.980 615 2HB ASP 79 1HB ASP 79 51.858 54.660 70.946 616 H GLY 80 H GLY 80 48.448 55.292 72.405 617 1HA GLY 80 1HA GLY 80 47.500 56.010 74.267 618 2HA GLY 80 2HA GLY 80 47.828 54.346 75.005 619 H ARG 81 H ARG 81 49.421 57.095 73.765 620 HA ARG 81 HA ARG 81 51.228 57.380 76.148 621 1HB ARG 81 2HB ARG 81 51.888 57.246 73.393 622 2HB ARG 81 1HB ARG 81 52.225 58.977 73.887 623 1HG ARG 81 2HG ARG 81 53.771 58.336 75.581 624 2HG ARG 81 1HG ARG 81 53.048 56.712 75.755 625 1HD ARG 81 2HD ARG 81 54.219 57.548 73.058 626 2HD ARG 81 1HD ARG 81 55.424 57.396 74.402 627 HE ARG 81 HE ARG 81 53.889 55.265 72.991 628 1HH1 ARG 81 2HH2 ARG 81 55.968 56.190 75.767 629 2HH1 ARG 81 1HH2 ARG 81 56.466 54.568 76.118 630 1HH2 ARG 81 2HH1 ARG 81 54.533 53.082 73.444 631 2HH2 ARG 81 1HH1 ARG 81 55.629 52.720 74.757 632 H ASN 82 H ASN 82 52.429 59.744 75.740 633 HA ASN 82 HA ASN 82 50.577 61.925 75.384 634 1HB ASN 82 2HB ASN 82 49.816 61.077 77.681 635 2HB ASN 82 1HB ASN 82 51.578 61.445 78.276 636 1HD2 ASN 82 2HD2 ASN 82 49.220 64.491 76.923 637 2HD2 ASN 82 1HD2 ASN 82 49.079 62.925 76.125 638 H VAL 83 H VAL 83 52.125 62.261 73.977 639 HA VAL 83 HA VAL 83 54.746 63.374 75.054 640 HB VAL 83 HB VAL 83 54.356 62.229 72.287 641 1HG1 VAL 83 1HG1 VAL 83 56.640 63.075 74.061 642 2HG1 VAL 83 3HG1 VAL 83 56.876 61.760 72.813 643 3HG1 VAL 83 2HG1 VAL 83 56.340 63.404 72.303 644 1HG2 VAL 83 3HG2 VAL 83 54.778 61.021 75.100 645 2HG2 VAL 83 2HG2 VAL 83 53.832 60.323 73.700 646 3HG2 VAL 83 1HG2 VAL 83 55.646 60.229 73.696 647 H LYS 84 H LYS 84 55.762 64.879 74.115 648 HA LYS 84 HA LYS 84 54.119 67.014 72.914 649 1HB LYS 84 2HB LYS 84 56.803 66.775 74.223 650 2HB LYS 84 1HB LYS 84 56.613 68.107 73.005 651 1HG LYS 84 2HG LYS 84 55.963 68.822 75.338 652 2HG LYS 84 1HG LYS 84 54.695 69.068 74.016 653 1HD LYS 84 2HD LYS 84 53.491 68.166 75.871 654 2HD LYS 84 1HD LYS 84 53.753 66.703 74.862 655 1HE LYS 84 2HE LYS 84 54.586 65.864 77.014 656 2HE LYS 84 1HE LYS 84 56.092 66.744 76.408 657 1HZ LYS 84 3HZ LYS 84 53.938 68.173 77.841 658 2HZ LYS 84 2HZ LYS 84 55.185 67.420 78.696 659 3HZ LYS 84 1HZ LYS 84 55.508 68.630 77.635 660 H THR 85 H THR 85 53.733 66.129 70.949 661 HA THR 85 HA THR 85 56.008 65.659 69.064 662 HB THR 85 HB THR 85 52.985 65.360 68.765 663 HG1 THR 85 1HG THR 85 54.049 64.268 70.436 664 1HG2 THR 85 2HG2 THR 85 55.612 64.394 67.311 665 2HG2 THR 85 1HG2 THR 85 54.094 63.540 67.029 666 3HG2 THR 85 3HG2 THR 85 54.230 65.286 66.481 667 H LEU 86 H LEU 86 56.872 67.415 69.140 668 HA LEU 86 HA LEU 86 55.557 69.824 68.219 669 1HB LEU 86 2HB LEU 86 57.445 69.869 69.831 670 2HB LEU 86 1HB LEU 86 58.544 69.094 68.548 671 HG LEU 86 HG LEU 86 57.272 71.599 67.617 672 1HD1 LEU 86 1HD1 LEU 86 59.154 71.432 70.113 673 2HD1 LEU 86 3HD1 LEU 86 59.147 72.908 68.988 674 3HD1 LEU 86 2HD1 LEU 86 57.676 72.429 69.877 675 1HD2 LEU 86 1HD2 LEU 86 59.258 69.936 66.820 676 2HD2 LEU 86 3HD2 LEU 86 59.337 71.695 66.433 677 3HD2 LEU 86 2HD2 LEU 86 60.266 71.084 67.828 678 H VAL 87 H VAL 87 55.974 70.920 66.278 679 HA VAL 87 HA VAL 87 57.408 69.490 64.099 680 HB VAL 87 HB VAL 87 55.056 68.844 63.791 681 1HG1 VAL 87 3HG1 VAL 87 54.385 71.647 64.735 682 2HG1 VAL 87 2HG1 VAL 87 53.245 70.573 63.769 683 3HG1 VAL 87 1HG1 VAL 87 53.845 69.993 65.331 684 1HG2 VAL 87 2HG2 VAL 87 56.115 69.878 61.664 685 2HG2 VAL 87 1HG2 VAL 87 54.297 70.067 61.722 686 3HG2 VAL 87 3HG2 VAL 87 55.306 71.445 62.110 687 H THR 88 H THR 88 58.304 70.622 62.509 688 HA THR 88 HA THR 88 57.929 73.462 62.268 689 HB THR 88 HB THR 88 59.128 73.152 64.428 690 HG1 THR 88 1HG THR 88 60.643 74.693 64.040 691 1HG2 THR 88 3HG2 THR 88 60.476 71.124 63.782 692 2HG2 THR 88 2HG2 THR 88 61.522 72.162 62.661 693 3HG2 THR 88 1HG2 THR 88 61.545 72.428 64.429 694 H TRP 89 H TRP 89 59.626 74.340 60.884 695 HA TRP 89 HA TRP 89 60.307 72.626 58.492 696 1HB TRP 89 2HB TRP 89 60.199 75.664 59.206 697 2HB TRP 89 1HB TRP 89 60.939 75.042 57.690 698 HD1 TRP 89 HD1 TRP 89 57.597 75.969 59.040 699 HE1 TRP 89 HE1 TRP 89 55.844 74.688 57.576 700 HE3 TRP 89 HE3 TRP 89 60.692 72.918 56.588 701 HZ2 TRP 89 HZ2 TRP 89 55.892 72.437 55.551 702 HZ3 TRP 89 HZ3 TRP 89 59.941 71.232 54.998 703 HH2 TRP 89 HH2 TRP 89 57.613 71.070 54.594 704 H GLU 90 H GLU 90 62.582 72.274 57.846 705 HA GLU 90 HA GLU 90 64.276 72.797 60.173 706 1HB GLU 90 2HB GLU 90 64.522 70.630 58.999 707 2HB GLU 90 1HB GLU 90 64.597 71.466 57.408 708 1HG GLU 90 2HG GLU 90 66.804 72.351 59.291 709 2HG GLU 90 1HG GLU 90 66.645 70.512 59.010 710 H GLY 91 H GLY 91 64.300 73.223 56.782 711 1HA GLY 91 1HA GLY 91 64.528 75.751 56.110 712 2HA GLY 91 2HA GLY 91 66.311 75.364 56.530 713 H ASN 92 H ASN 92 63.452 73.991 55.301 714 HA ASN 92 HA ASN 92 62.825 73.124 53.211 715 1HB ASN 92 2HB ASN 92 64.923 73.569 51.818 716 2HB ASN 92 1HB ASN 92 65.839 72.374 52.943 717 1HD2 ASN 92 2HD2 ASN 92 64.965 69.603 51.209 718 2HD2 ASN 92 1HD2 ASN 92 66.001 70.463 52.326 719 H THR 93 H THR 93 61.812 71.846 54.529 720 HA THR 93 HA THR 93 61.286 69.437 54.664 721 HB THR 93 HB THR 93 63.731 68.737 54.579 722 HG1 THR 93 1HG THR 93 62.175 67.481 56.445 723 1HG2 THR 93 2HG2 THR 93 63.558 69.707 57.458 724 2HG2 THR 93 1HG2 THR 93 63.925 67.920 57.355 725 3HG2 THR 93 3HG2 THR 93 65.009 69.174 56.588 726 H LEU 94 H LEU 94 60.436 68.317 56.093 727 HA LEU 94 HA LEU 94 59.522 69.938 58.418 728 1HB LEU 94 2HB LEU 94 57.692 69.197 56.906 729 2HB LEU 94 1HB LEU 94 58.170 67.477 57.277 730 HG LEU 94 HG LEU 94 57.938 68.756 59.798 731 1HD1 LEU 94 2HD1 LEU 94 55.808 69.782 57.882 732 2HD1 LEU 94 1HD1 LEU 94 55.232 69.118 59.419 733 3HD1 LEU 94 3HD1 LEU 94 56.420 70.529 59.415 734 1HD2 LEU 94 1HD2 LEU 94 57.130 66.390 58.550 735 2HD2 LEU 94 3HD2 LEU 94 56.852 66.795 60.246 736 3HD2 LEU 94 2HD2 LEU 94 55.570 67.220 58.999 737 H VAL 95 H VAL 95 60.670 69.828 59.998 738 HA VAL 95 HA VAL 95 61.773 67.385 61.159 739 HB VAL 95 HB VAL 95 61.407 70.262 62.162 740 1HG1 VAL 95 2HG1 VAL 95 62.325 68.610 63.890 741 2HG1 VAL 95 1HG1 VAL 95 63.740 68.352 62.804 742 3HG1 VAL 95 3HG1 VAL 95 63.455 69.995 63.451 743 1HG2 VAL 95 3HG2 VAL 95 62.988 69.403 59.873 744 2HG2 VAL 95 2HG2 VAL 95 62.778 71.081 60.551 745 3HG2 VAL 95 1HG2 VAL 95 64.131 69.980 61.200 746 H CYS 96 H CYS 96 61.288 66.710 63.286 747 HA CYS 96 HA CYS 96 59.466 68.143 65.048 748 1HB CYS 96 2HB CYS 96 57.958 65.886 65.117 749 2HB CYS 96 1HB CYS 96 57.568 67.130 63.896 750 HG CYS 96 HG CYS 96 58.787 64.185 63.565 751 H VAL 97 H VAL 97 59.215 67.102 66.950 752 HA VAL 97 HA VAL 97 61.000 64.816 67.499 753 HB VAL 97 HB VAL 97 61.551 66.808 69.483 754 1HG1 VAL 97 3HG1 VAL 97 63.131 65.230 67.729 755 2HG1 VAL 97 2HG1 VAL 97 63.289 66.874 66.952 756 3HG1 VAL 97 1HG1 VAL 97 63.807 66.626 68.674 757 1HG2 VAL 97 2HG2 VAL 97 60.295 68.347 68.150 758 2HG2 VAL 97 1HG2 VAL 97 62.053 68.807 68.284 759 3HG2 VAL 97 3HG2 VAL 97 61.503 68.135 66.734 760 H GLN 98 H GLN 98 59.801 63.539 68.654 761 HA GLN 98 HA GLN 98 57.539 64.369 70.438 762 1HB GLN 98 2HB GLN 98 58.498 62.031 69.117 763 2HB GLN 98 1HB GLN 98 58.459 61.652 70.943 764 1HG GLN 98 2HG GLN 98 56.236 61.284 70.795 765 2HG GLN 98 1HG GLN 98 56.058 63.048 70.348 766 1HE2 GLN 98 1HE2 GLN 98 54.791 60.399 67.886 767 2HE2 GLN 98 2HE2 GLN 98 54.762 60.435 69.659 768 H LYS 99 H LYS 99 58.218 65.626 71.866 769 HA LYS 99 HA LYS 99 60.532 64.755 73.549 770 1HB LYS 99 2HB LYS 99 59.751 67.188 72.943 771 2HB LYS 99 1HB LYS 99 58.728 67.030 74.429 772 1HG LYS 99 2HG LYS 99 60.472 67.006 75.856 773 2HG LYS 99 1HG LYS 99 61.582 66.046 74.839 774 1HD LYS 99 2HD LYS 99 61.760 68.286 73.439 775 2HD LYS 99 1HD LYS 99 60.954 69.086 74.860 776 1HE LYS 99 2HE LYS 99 62.821 68.790 76.224 777 2HE LYS 99 1HE LYS 99 63.236 67.203 75.445 778 1HZ LYS 99 3HZ LYS 99 63.592 69.066 73.453 779 2HZ LYS 99 2HZ LYS 99 64.265 69.810 74.755 780 3HZ LYS 99 1HZ LYS 99 64.802 68.309 74.335 781 H GLY 100 H GLY 100 59.713 62.843 74.203 782 1HA GLY 100 1HA GLY 100 57.382 62.842 76.156 783 2HA GLY 100 2HA GLY 100 58.117 61.349 75.482 784 H GLU 101 H GLU 101 58.260 60.611 77.423 785 HA GLU 101 HA GLU 101 59.932 61.881 79.526 786 1HB GLU 101 2HB GLU 101 57.678 60.744 80.090 787 2HB GLU 101 1HB GLU 101 58.342 59.236 79.415 788 1HG GLU 101 2HG GLU 101 59.700 58.867 81.378 789 2HG GLU 101 1HG GLU 101 59.922 60.667 81.601 790 H LYS 102 H LYS 102 59.739 58.866 77.656 791 HA LYS 102 HA LYS 102 62.585 58.170 78.488 792 1HB LYS 102 2HB LYS 102 61.046 56.451 79.075 793 2HB LYS 102 1HB LYS 102 60.223 56.498 77.441 794 1HG LYS 102 2HG LYS 102 63.228 56.097 77.440 795 2HG LYS 102 1HG LYS 102 62.337 54.748 78.168 796 1HD LYS 102 2HD LYS 102 60.701 55.092 75.950 797 2HD LYS 102 1HD LYS 102 62.335 55.525 75.295 798 1HE LYS 102 2HE LYS 102 62.013 53.034 77.068 799 2HE LYS 102 1HE LYS 102 61.541 53.099 75.297 800 1HZ LYS 102 1HZ LYS 102 64.156 54.231 75.784 801 2HZ LYS 102 3HZ LYS 102 64.086 52.661 76.297 802 3HZ LYS 102 2HZ LYS 102 63.666 53.049 74.736 803 H GLU 103 H GLU 103 60.392 57.527 75.856 804 HA GLU 103 HA GLU 103 62.539 57.032 73.961 805 1HB GLU 103 2HB GLU 103 60.539 57.038 72.244 806 2HB GLU 103 1HB GLU 103 60.650 55.771 73.562 807 1HG GLU 103 2HG GLU 103 58.342 56.883 73.054 808 2HG GLU 103 1HG GLU 103 58.843 56.677 74.822 809 H ASN 104 H ASN 104 62.451 57.646 71.848 810 HA ASN 104 HA ASN 104 62.099 60.585 71.381 811 1HB ASN 104 2HB ASN 104 64.282 58.551 70.361 812 2HB ASN 104 1HB ASN 104 64.309 60.348 69.949 813 1HD2 ASN 104 2HD2 ASN 104 65.752 58.878 73.415 814 2HD2 ASN 104 1HD2 ASN 104 64.927 57.815 72.055 815 H ARG 105 H ARG 105 60.131 60.225 70.699 816 HA ARG 105 HA ARG 105 59.731 58.321 68.479 817 1HB ARG 105 2HB ARG 105 57.639 59.915 70.123 818 2HB ARG 105 1HB ARG 105 57.293 59.296 68.504 819 1HG ARG 105 2HG ARG 105 58.688 57.552 70.578 820 2HG ARG 105 1HG ARG 105 56.836 57.774 70.528 821 1HD ARG 105 2HD ARG 105 58.342 56.985 68.014 822 2HD ARG 105 1HD ARG 105 57.745 55.719 69.129 823 HE ARG 105 HE ARG 105 56.200 57.461 67.423 824 1HH1 ARG 105 1HH2 ARG 105 55.983 55.663 70.659 825 2HH1 ARG 105 2HH2 ARG 105 54.237 55.649 70.569 826 1HH2 ARG 105 1HH1 ARG 105 54.010 57.312 67.509 827 2HH2 ARG 105 2HH1 ARG 105 53.062 56.561 68.782 828 H GLY 106 H GLY 106 58.140 59.307 66.726 829 1HA GLY 106 1HA GLY 106 58.406 62.042 65.948 830 2HA GLY 106 2HA GLY 106 59.957 61.251 65.507 831 H TRP 107 H TRP 107 59.236 62.221 63.672 832 HA TRP 107 HA TRP 107 58.924 60.151 61.700 833 1HB TRP 107 2HB TRP 107 56.726 60.410 60.771 834 2HB TRP 107 1HB TRP 107 56.496 60.408 62.585 835 HD1 TRP 107 HD1 TRP 107 56.130 62.379 59.338 836 HE1 TRP 107 HE1 TRP 107 55.442 64.824 59.680 837 HE3 TRP 107 HE3 TRP 107 56.782 62.364 64.263 838 HZ2 TRP 107 HZ2 TRP 107 55.316 66.352 61.807 839 HZ3 TRP 107 HZ3 TRP 107 56.318 64.479 65.526 840 HH2 TRP 107 HH2 TRP 107 55.590 66.400 64.248 841 H LYS 108 H LYS 108 60.355 62.850 62.219 842 HA LYS 108 HA LYS 108 59.770 64.721 60.350 843 1HB LYS 108 2HB LYS 108 62.423 65.093 60.322 844 2HB LYS 108 1HB LYS 108 61.535 65.190 61.928 845 1HG LYS 108 2HG LYS 108 62.284 62.416 61.117 846 2HG LYS 108 1HG LYS 108 63.751 63.500 61.284 847 1HD LYS 108 2HD LYS 108 61.669 63.327 63.500 848 2HD LYS 108 1HD LYS 108 63.060 62.172 63.376 849 1HE LYS 108 2HE LYS 108 63.373 65.249 63.257 850 2HE LYS 108 1HE LYS 108 63.429 64.260 64.843 851 1HZ LYS 108 3HZ LYS 108 65.235 62.947 63.546 852 2HZ LYS 108 2HZ LYS 108 65.305 64.281 62.539 853 3HZ LYS 108 1HZ LYS 108 65.620 64.444 64.149 854 H GLN 109 H GLN 109 60.060 65.278 58.501 855 HA GLN 109 HA GLN 109 60.857 63.229 56.434 856 1HB GLN 109 2HB GLN 109 60.074 66.116 55.916 857 2HB GLN 109 1HB GLN 109 59.773 64.663 54.799 858 1HG GLN 109 2HG GLN 109 58.387 65.444 57.489 859 2HG GLN 109 1HG GLN 109 57.675 65.514 55.775 860 1HE2 GLN 109 2HE2 GLN 109 56.738 62.349 57.538 861 2HE2 GLN 109 1HE2 GLN 109 56.712 64.183 57.953 862 H TRP 110 H TRP 110 62.086 64.071 54.502 863 HA TRP 110 HA TRP 110 64.222 66.024 55.369 864 1HB TRP 110 2HB TRP 110 64.480 63.589 53.557 865 2HB TRP 110 1HB TRP 110 65.797 64.704 54.252 866 HD1 TRP 110 HD1 TRP 110 64.890 61.484 54.575 867 HE1 TRP 110 HE1 TRP 110 65.179 60.461 56.947 868 HE3 TRP 110 HE3 TRP 110 65.034 65.818 57.084 869 HZ2 TRP 110 HZ2 TRP 110 65.437 61.607 59.446 870 HZ3 TRP 110 HZ3 TRP 110 65.322 65.833 59.520 871 HH2 TRP 110 HH2 TRP 110 65.521 63.733 60.655 872 H VAL 111 H VAL 111 62.351 64.647 52.614 873 HA VAL 111 HA VAL 111 61.973 65.541 50.492 874 HB VAL 111 HB VAL 111 63.303 68.199 51.404 875 1HG1 VAL 111 2HG1 VAL 111 62.156 67.622 49.026 876 2HG1 VAL 111 1HG1 VAL 111 60.731 68.326 49.891 877 3HG1 VAL 111 3HG1 VAL 111 62.280 69.223 49.759 878 1HG2 VAL 111 2HG2 VAL 111 61.640 67.343 53.247 879 2HG2 VAL 111 1HG2 VAL 111 61.226 68.927 52.544 880 3HG2 VAL 111 3HG2 VAL 111 60.382 67.401 51.900 881 H GLU 112 H GLU 112 63.772 63.958 50.862 882 HA GLU 112 HA GLU 112 66.370 64.898 49.858 883 1HB GLU 112 2HB GLU 112 65.256 62.865 51.656 884 2HB GLU 112 1HB GLU 112 66.388 62.084 50.531 885 1HG GLU 112 2HG GLU 112 66.774 64.717 52.149 886 2HG GLU 112 1HG GLU 112 67.567 63.065 52.553 887 H GLY 113 H GLY 113 67.009 64.663 47.990 888 1HA GLY 113 1HA GLY 113 66.972 64.232 45.675 889 2HA GLY 113 2HA GLY 113 67.346 62.573 46.306 890 H ASP 114 H ASP 114 64.862 64.812 45.443 891 HA ASP 114 HA ASP 114 63.011 64.806 44.078 892 1HB ASP 114 2HB ASP 114 63.969 61.902 43.460 893 2HB ASP 114 1HB ASP 114 62.454 62.700 42.763 894 H LYS 115 H LYS 115 63.240 62.110 46.381 895 HA LYS 115 HA LYS 115 60.240 62.050 46.573 896 1HB LYS 115 2HB LYS 115 60.589 59.740 47.623 897 2HB LYS 115 1HB LYS 115 61.424 59.889 46.018 898 1HG LYS 115 2HG LYS 115 63.316 60.830 47.858 899 2HG LYS 115 1HG LYS 115 62.606 59.300 48.542 900 1HD LYS 115 2HD LYS 115 63.095 58.105 46.458 901 2HD LYS 115 1HD LYS 115 63.366 59.646 45.547 902 1HE LYS 115 2HE LYS 115 65.371 60.080 47.195 903 2HE LYS 115 1HE LYS 115 65.174 58.333 47.653 904 1HZ LYS 115 3HZ LYS 115 65.589 59.234 44.830 905 2HZ LYS 115 2HZ LYS 115 66.838 58.896 45.825 906 3HZ LYS 115 1HZ LYS 115 65.686 57.699 45.429 907 H LEU 116 H LEU 116 59.625 61.270 48.804 908 HA LEU 116 HA LEU 116 61.132 63.128 50.650 909 1HB LEU 116 2HB LEU 116 59.058 64.224 49.961 910 2HB LEU 116 1HB LEU 116 58.094 62.706 50.316 911 HG LEU 116 HG LEU 116 59.694 63.631 52.607 912 1HD1 LEU 116 3HD1 LEU 116 57.794 65.476 51.041 913 2HD1 LEU 116 2HD1 LEU 116 57.473 65.324 52.850 914 3HD1 LEU 116 1HD1 LEU 116 59.033 65.987 52.181 915 1HD2 LEU 116 1HD2 LEU 116 57.287 62.093 52.062 916 2HD2 LEU 116 3HD2 LEU 116 58.146 62.259 53.607 917 3HD2 LEU 116 2HD2 LEU 116 56.867 63.455 53.212 918 H TYR 117 H TYR 117 62.314 61.867 51.582 919 HA TYR 117 HA TYR 117 61.463 59.316 52.647 920 1HB TYR 117 2HB TYR 117 63.822 61.257 52.925 921 2HB TYR 117 1HB TYR 117 63.677 59.942 54.153 922 HD1 TYR 117 HD1 TYR 117 62.292 58.838 50.961 923 HD2 TYR 117 HD2 TYR 117 66.143 59.483 52.854 924 HE1 TYR 117 HE1 TYR 117 63.321 57.421 49.329 925 HE2 TYR 117 HE2 TYR 117 67.144 58.060 51.240 926 HH TYR 117 HH TYR 117 66.833 56.667 49.529 927 H LEU 118 H LEU 118 60.666 58.655 54.317 928 HA LEU 118 HA LEU 118 60.013 60.708 56.483 929 1HB LEU 118 2HB LEU 118 58.281 59.485 54.864 930 2HB LEU 118 1HB LEU 118 58.492 58.020 55.975 931 HG LEU 118 HG LEU 118 57.111 60.709 56.550 932 1HD1 LEU 118 2HD1 LEU 118 55.840 58.604 56.099 933 2HD1 LEU 118 1HD1 LEU 118 56.769 57.855 57.490 934 3HD1 LEU 118 3HD1 LEU 118 55.647 59.219 57.804 935 1HD2 LEU 118 2HD2 LEU 118 58.499 58.754 58.577 936 2HD2 LEU 118 1HD2 LEU 118 59.077 60.480 58.229 937 3HD2 LEU 118 3HD2 LEU 118 57.460 60.233 58.952 938 H GLU 119 H GLU 119 61.593 60.546 58.011 939 HA GLU 119 HA GLU 119 62.271 57.723 58.861 940 1HB GLU 119 2HB GLU 119 64.017 60.218 58.582 941 2HB GLU 119 1HB GLU 119 64.041 59.352 60.178 942 1HG GLU 119 2HG GLU 119 64.600 57.183 59.127 943 2HG GLU 119 1HG GLU 119 64.421 57.964 57.508 944 H LEU 120 H LEU 120 62.012 57.164 60.817 945 HA LEU 120 HA LEU 120 60.824 59.232 62.659 946 1HB LEU 120 2HB LEU 120 58.786 58.336 62.644 947 2HB LEU 120 1HB LEU 120 59.306 57.395 61.187 948 HG LEU 120 HG LEU 120 60.302 55.672 62.919 949 1HD1 LEU 120 3HD1 LEU 120 58.869 57.458 64.744 950 2HD1 LEU 120 2HD1 LEU 120 57.659 56.221 64.277 951 3HD1 LEU 120 1HD1 LEU 120 59.208 55.685 65.100 952 1HD2 LEU 120 3HD2 LEU 120 58.552 55.238 61.181 953 2HD2 LEU 120 2HD2 LEU 120 58.269 54.311 62.732 954 3HD2 LEU 120 1HD2 LEU 120 57.294 55.756 62.398 955 H THR 121 H THR 121 61.056 58.740 64.872 956 HA THR 121 HA THR 121 63.106 56.575 65.337 957 HB THR 121 HB THR 121 62.571 59.171 66.896 958 HG1 THR 121 1HG THR 121 64.670 58.973 65.143 959 1HG2 THR 121 3HG2 THR 121 64.643 56.871 67.009 960 2HG2 THR 121 2HG2 THR 121 65.399 58.515 66.916 961 3HG2 THR 121 1HG2 THR 121 64.326 58.110 68.282 962 H CYS 122 H CYS 122 62.801 55.392 67.494 963 HA CYS 122 HA CYS 122 60.196 55.841 68.763 964 1HB CYS 122 2HB CYS 122 59.911 53.111 67.964 965 2HB CYS 122 1HB CYS 122 59.158 54.447 67.099 966 HG CYS 122 HG CYS 122 60.304 54.113 65.034 967 H GLY 123 H GLY 123 61.523 55.998 70.551 968 1HA GLY 123 1HA GLY 123 62.756 55.225 72.402 969 2HA GLY 123 2HA GLY 123 61.730 53.760 72.183 970 H ASP 124 H ASP 124 64.106 55.034 70.001 971 HA ASP 124 HA ASP 124 66.166 54.338 69.171 972 1HB ASP 124 2HB ASP 124 66.897 53.954 71.598 973 2HB ASP 124 1HB ASP 124 66.178 52.225 71.427 974 H GLN 125 H GLN 125 65.308 53.736 67.419 975 HA GLN 125 HA GLN 125 65.648 50.863 66.909 976 1HB GLN 125 2HB GLN 125 62.993 51.748 67.638 977 2HB GLN 125 1HB GLN 125 62.976 51.296 65.877 978 1HG GLN 125 2HG GLN 125 64.449 49.336 67.612 979 2HG GLN 125 1HG GLN 125 62.664 49.529 67.951 980 1HE2 GLN 125 2HE2 GLN 125 63.742 48.308 64.172 981 2HE2 GLN 125 1HE2 GLN 125 65.026 49.135 65.295 982 H VAL 126 H VAL 126 64.004 53.753 66.038 983 HA VAL 126 HA VAL 126 64.057 55.242 64.275 984 HB VAL 126 HB VAL 126 66.809 53.943 63.745 985 1HG1 VAL 126 3HG1 VAL 126 65.679 55.573 61.888 986 2HG1 VAL 126 2HG1 VAL 126 65.837 56.841 63.244 987 3HG1 VAL 126 1HG1 VAL 126 67.291 56.003 62.525 988 1HG2 VAL 126 3HG2 VAL 126 65.678 55.363 65.987 989 2HG2 VAL 126 2HG2 VAL 126 67.432 55.072 65.645 990 3HG2 VAL 126 1HG2 VAL 126 66.595 56.586 65.087 991 H CYS 127 H CYS 127 62.273 54.096 63.371 992 HA CYS 127 HA CYS 127 62.488 52.172 61.255 993 1HB CYS 127 2HB CYS 127 60.368 53.382 62.645 994 2HB CYS 127 1HB CYS 127 60.387 54.464 61.242 995 HG CYS 127 HG CYS 127 59.195 53.135 59.680 996 H ARG 128 H ARG 128 63.151 52.217 59.264 997 HA ARG 128 HA ARG 128 63.581 55.022 58.127 998 1HB ARG 128 2HB ARG 128 65.591 53.354 58.596 999 2HB ARG 128 1HB ARG 128 64.943 52.444 57.129 1000 1HG ARG 128 2HG ARG 128 66.365 53.828 55.980 1001 2HG ARG 128 1HG ARG 128 64.906 54.882 56.048 1002 1HD ARG 128 2HD ARG 128 66.801 56.204 56.715 1003 2HD ARG 128 1HD ARG 128 65.934 55.724 58.303 1004 HE ARG 128 HE ARG 128 67.594 54.193 58.777 1005 1HH1 ARG 128 1HH1 ARG 128 68.611 56.441 56.093 1006 2HH1 ARG 128 2HH1 ARG 128 70.313 56.121 56.391 1007 1HH2 ARG 128 1HH2 ARG 128 69.944 53.867 59.030 1008 2HH2 ARG 128 2HH2 ARG 128 70.987 54.734 57.936 1009 H GLN 129 H GLN 129 61.739 55.471 56.975 1010 HA GLN 129 HA GLN 129 60.858 53.189 55.195 1011 1HB GLN 129 2HB GLN 129 59.539 55.932 55.484 1012 2HB GLN 129 1HB GLN 129 58.745 54.358 54.924 1013 1HG GLN 129 2HG GLN 129 59.837 54.700 57.728 1014 2HG GLN 129 1HG GLN 129 58.078 55.054 57.306 1015 1HE2 GLN 129 1HE2 GLN 129 57.276 51.633 57.230 1016 2HE2 GLN 129 2HE2 GLN 129 56.780 53.336 57.152 1017 H VAL 130 H VAL 130 60.119 53.668 52.900 1018 HA VAL 130 HA VAL 130 61.939 55.818 51.818 1019 HB VAL 130 HB VAL 130 61.689 53.120 50.288 1020 1HG1 VAL 130 3HG1 VAL 130 63.025 55.297 49.589 1021 2HG1 VAL 130 2HG1 VAL 130 64.257 54.655 50.798 1022 3HG1 VAL 130 1HG1 VAL 130 63.800 53.693 49.334 1023 1HG2 VAL 130 1HG2 VAL 130 62.159 52.472 52.637 1024 2HG2 VAL 130 3HG2 VAL 130 63.520 52.124 51.447 1025 3HG2 VAL 130 2HG2 VAL 130 63.658 53.519 52.556 1026 H PHE 131 H PHE 131 61.293 56.862 50.259 1027 HA PHE 131 HA PHE 131 58.532 56.271 49.149 1028 1HB PHE 131 2HB PHE 131 60.042 58.833 49.912 1029 2HB PHE 131 1HB PHE 131 58.426 58.767 49.038 1030 HD1 PHE 131 HD1 PHE 131 60.337 57.773 52.089 1031 HD2 PHE 131 HD2 PHE 131 56.468 58.315 50.313 1032 HE1 PHE 131 HE1 PHE 131 59.209 57.394 54.331 1033 HE2 PHE 131 HE2 PHE 131 55.437 57.961 52.497 1034 HZ PHE 131 HZ PHE 131 56.817 57.494 54.509 1035 H LYS 132 H LYS 132 58.011 57.720 47.407 1036 HA LYS 132 HA LYS 132 60.094 58.506 45.415 1037 1HB LYS 132 2HB LYS 132 59.558 56.824 43.885 1038 2HB LYS 132 1HB LYS 132 59.036 55.915 45.373 1039 1HG LYS 132 2HG LYS 132 57.268 55.697 43.762 1040 2HG LYS 132 1HG LYS 132 56.587 57.008 44.797 1041 1HD LYS 132 2HD LYS 132 56.565 58.332 43.022 1042 2HD LYS 132 1HD LYS 132 58.386 58.189 42.824 1043 1HE LYS 132 2HE LYS 132 57.625 55.855 41.644 1044 2HE LYS 132 1HE LYS 132 56.105 56.829 41.368 1045 1HZ LYS 132 1HZ LYS 132 57.569 58.498 40.347 1046 2HZ LYS 132 3HZ LYS 132 58.912 57.591 40.590 1047 3HZ LYS 132 2HZ LYS 132 57.690 56.999 39.611 1048 H LYS 133 H LYS 133 59.304 60.111 44.366 1049 HA LYS 133 HA LYS 133 56.840 61.580 45.319 1050 1HB LYS 133 2HB LYS 133 58.777 62.875 44.770 1051 2HB LYS 133 1HB LYS 133 58.959 61.975 43.189 1052 1HG LYS 133 2HG LYS 133 56.854 62.980 42.341 1053 2HG LYS 133 1HG LYS 133 56.626 63.807 43.966 1054 1HD LYS 133 2HD LYS 133 59.267 64.376 42.764 1055 2HD LYS 133 1HD LYS 133 57.912 64.851 41.688 1056 1HE LYS 133 2HE LYS 133 57.692 65.315 44.665 1057 2HE LYS 133 1HE LYS 133 58.597 66.532 43.628 1058 1HZ LYS 133 1HZ LYS 133 56.573 66.297 42.112 1059 2HZ LYS 133 3HZ LYS 133 55.710 65.744 43.423 1060 3HZ LYS 133 2HZ LYS 133 56.361 67.304 43.395 1061 H LYS 134 H LYS 134 55.037 61.086 44.703 1062 HA LYS 134 HA LYS 134 53.444 59.796 43.431 1063 1HB LYS 134 2HB LYS 134 52.507 61.801 41.879 1064 2HB LYS 134 1HB LYS 134 52.693 62.083 43.628 1065 1HG LYS 134 2HG LYS 134 54.565 63.536 43.251 1066 2HG LYS 134 1HG LYS 134 54.951 62.724 41.634 1067 1HD LYS 134 2HD LYS 134 53.940 64.939 41.399 1068 2HD LYS 134 1HD LYS 134 52.790 63.644 40.781 1069 1HE LYS 134 2HE LYS 134 51.406 63.691 42.708 1070 2HE LYS 134 1HE LYS 134 52.642 64.596 43.699 1071 1HZ LYS 134 3HZ LYS 134 51.365 65.808 41.332 1072 2HZ LYS 134 2HZ LYS 134 50.533 65.817 42.713 1073 3HZ LYS 134 1HZ LYS 134 52.050 66.555 42.678 No H/Q in entry = 1073 Start of MODEL 12 1 1H MET 1 2H MET 1 64.400 77.016 45.921 2 2H MET 1 1H MET 1 64.001 75.552 45.279 3 3H MET 1 3H MET 1 63.467 76.905 44.487 4 HA MET 1 HA MET 1 61.953 77.500 46.252 5 1HB MET 1 2HB MET 1 60.442 75.433 46.012 6 2HB MET 1 1HB MET 1 61.041 76.144 44.455 7 1HG MET 1 2HG MET 1 62.854 74.030 45.699 8 2HG MET 1 1HG MET 1 61.301 73.422 45.227 9 1HE MET 1 3HE MET 1 63.884 72.646 44.446 10 2HE MET 1 2HE MET 1 64.086 72.456 42.752 11 3HE MET 1 1HE MET 1 64.868 73.910 43.545 12 H THR 2 H THR 2 60.918 76.818 48.151 13 HA THR 2 HA THR 2 62.252 74.611 49.741 14 HB THR 2 HB THR 2 62.171 76.468 51.733 15 HG1 THR 2 1HG THR 2 62.052 78.317 50.959 16 1HG2 THR 2 2HG2 THR 2 64.172 74.913 50.874 17 2HG2 THR 2 1HG2 THR 2 64.491 76.052 49.586 18 3HG2 THR 2 3HG2 THR 2 64.811 76.577 51.264 19 H LYS 3 H LYS 3 61.234 74.155 51.626 20 HA LYS 3 HA LYS 3 59.082 73.398 52.457 21 1HB LYS 3 2HB LYS 3 58.356 74.925 54.158 22 2HB LYS 3 1HB LYS 3 60.151 75.112 54.019 23 1HG LYS 3 2HG LYS 3 59.248 76.976 52.177 24 2HG LYS 3 1HG LYS 3 57.862 76.942 53.374 25 1HD LYS 3 2HD LYS 3 60.920 77.349 54.048 26 2HD LYS 3 1HD LYS 3 59.645 78.645 54.030 27 1HE LYS 3 2HE LYS 3 59.342 76.179 55.757 28 2HE LYS 3 1HE LYS 3 60.448 77.542 56.246 29 1HZ LYS 3 1HZ LYS 3 57.846 78.405 55.290 30 2HZ LYS 3 3HZ LYS 3 57.673 77.433 56.603 31 3HZ LYS 3 2HZ LYS 3 58.601 78.840 56.682 32 H ASP 4 H ASP 4 58.639 73.989 49.730 33 HA ASP 4 HA ASP 4 55.714 74.494 49.997 34 1HB ASP 4 2HB ASP 4 56.561 76.803 49.342 35 2HB ASP 4 1HB ASP 4 57.412 75.934 47.946 36 H GLN 5 H GLN 5 56.222 71.972 49.802 37 HA GLN 5 HA GLN 5 56.382 71.427 46.856 38 1HB GLN 5 2HB GLN 5 58.495 71.075 48.598 39 2HB GLN 5 1HB GLN 5 57.578 69.471 48.852 40 1HG GLN 5 2HG GLN 5 57.500 69.093 46.482 41 2HG GLN 5 1HG GLN 5 58.414 70.720 46.196 42 1HE2 GLN 5 1HE2 GLN 5 61.593 69.720 47.152 43 2HE2 GLN 5 2HE2 GLN 5 60.391 71.019 46.848 44 H ASN 6 H ASN 6 55.484 69.519 46.354 45 HA ASN 6 HA ASN 6 53.454 68.327 48.178 46 1HB ASN 6 2HB ASN 6 52.602 69.050 45.321 47 2HB ASN 6 1HB ASN 6 51.575 68.712 46.842 48 1HD2 ASN 6 1HD2 ASN 6 51.960 71.896 48.205 49 2HD2 ASN 6 2HD2 ASN 6 51.992 70.041 48.641 50 H GLY 7 H GLY 7 52.325 66.444 47.127 51 1HA GLY 7 1HA GLY 7 53.201 65.257 44.695 52 2HA GLY 7 2HA GLY 7 54.263 64.731 46.061 53 H THR 8 H THR 8 53.538 62.584 45.818 54 HA THR 8 HA THR 8 51.215 61.988 47.449 55 HB THR 8 HB THR 8 49.941 62.377 45.391 56 HG1 THR 8 1HG THR 8 50.493 59.624 45.684 57 1HG2 THR 8 1HG2 THR 8 52.054 60.395 44.137 58 2HG2 THR 8 3HG2 THR 8 50.606 60.986 43.250 59 3HG2 THR 8 2HG2 THR 8 51.919 62.141 43.766 60 H TRP 9 H TRP 9 53.787 61.806 47.590 61 HA TRP 9 HA TRP 9 55.307 59.767 46.593 62 1HB TRP 9 2HB TRP 9 55.686 59.837 49.521 63 2HB TRP 9 1HB TRP 9 56.894 59.862 48.216 64 HD1 TRP 9 HD1 TRP 9 54.266 62.175 49.959 65 HE1 TRP 9 HE1 TRP 9 54.974 64.604 49.892 66 HE3 TRP 9 HE3 TRP 9 58.265 61.553 47.173 67 HZ2 TRP 9 HZ2 TRP 9 57.030 66.031 48.703 68 HZ3 TRP 9 HZ3 TRP 9 59.678 63.574 46.526 69 HH2 TRP 9 HH2 TRP 9 59.017 65.690 47.286 70 H GLU 10 H GLU 10 54.677 57.826 46.000 71 HA GLU 10 HA GLU 10 52.626 56.317 47.112 72 1HB GLU 10 2HB GLU 10 55.254 55.531 45.708 73 2HB GLU 10 1HB GLU 10 53.979 54.295 46.214 74 1HG GLU 10 2HG GLU 10 52.658 56.495 44.916 75 2HG GLU 10 1HG GLU 10 54.166 56.074 43.908 76 H MET 11 H MET 11 56.021 56.041 47.612 77 HA MET 11 HA MET 11 57.346 55.462 49.563 78 1HB MET 11 2HB MET 11 55.019 55.739 50.856 79 2HB MET 11 1HB MET 11 54.869 53.951 50.567 80 1HG MET 11 2HG MET 11 56.724 53.416 51.984 81 2HG MET 11 1HG MET 11 57.398 55.046 51.888 82 1HE MET 11 3HE MET 11 57.129 53.326 54.407 83 2HE MET 11 2HE MET 11 55.891 53.649 55.569 84 3HE MET 11 1HE MET 11 55.537 52.587 54.081 85 H GLU 12 H GLU 12 58.272 54.519 47.912 86 HA GLU 12 HA GLU 12 57.738 52.228 46.477 87 1HB GLU 12 2HB GLU 12 59.902 54.017 46.581 88 2HB GLU 12 1HB GLU 12 60.593 52.424 47.190 89 1HG GLU 12 2HG GLU 12 59.500 51.317 45.158 90 2HG GLU 12 1HG GLU 12 58.965 53.015 44.608 91 H SER 13 H SER 13 59.317 52.530 49.611 92 HA SER 13 HA SER 13 58.493 49.709 50.242 93 1HB SER 13 2HB SER 13 61.105 49.417 51.045 94 2HB SER 13 1HB SER 13 60.582 48.990 49.327 95 HG SER 13 HG SER 13 61.402 50.875 48.680 96 H ASN 14 H ASN 14 59.596 49.043 52.298 97 HA ASN 14 HA ASN 14 60.166 51.185 54.187 98 1HB ASN 14 2HB ASN 14 58.266 50.867 55.684 99 2HB ASN 14 1HB ASN 14 57.579 51.011 53.941 100 1HD2 ASN 14 2HD2 ASN 14 56.846 47.512 53.723 101 2HD2 ASN 14 1HD2 ASN 14 57.380 49.090 52.824 102 H GLU 15 H GLU 15 60.679 50.780 56.129 103 HA GLU 15 HA GLU 15 61.935 48.061 56.220 104 1HB GLU 15 2HB GLU 15 62.342 50.864 57.483 105 2HB GLU 15 1HB GLU 15 62.971 49.525 58.454 106 1HG GLU 15 2HG GLU 15 63.552 49.412 55.469 107 2HG GLU 15 1HG GLU 15 64.610 50.379 56.689 108 H ASN 16 H ASN 16 62.326 47.808 58.911 109 HA ASN 16 HA ASN 16 60.592 46.145 60.013 110 1HB ASN 16 2HB ASN 16 61.167 47.260 62.275 111 2HB ASN 16 1HB ASN 16 62.589 46.784 61.113 112 1HD2 ASN 16 2HD2 ASN 16 63.434 50.125 62.301 113 2HD2 ASN 16 1HD2 ASN 16 63.336 48.341 62.877 114 H PHE 17 H PHE 17 58.519 46.631 59.155 115 HA PHE 17 HA PHE 17 57.026 49.018 59.975 116 1HB PHE 17 2HB PHE 17 56.543 47.299 58.044 117 2HB PHE 17 1HB PHE 17 55.954 46.207 59.402 118 HD1 PHE 17 HD1 PHE 17 54.133 47.199 60.853 119 HD2 PHE 17 HD2 PHE 17 55.064 48.884 57.069 120 HE1 PHE 17 HE1 PHE 17 51.939 48.339 60.813 121 HE2 PHE 17 HE2 PHE 17 52.899 50.047 56.971 122 HZ PHE 17 HZ PHE 17 51.310 49.824 58.790 123 H GLU 18 H GLU 18 57.714 45.831 61.072 124 HA GLU 18 HA GLU 18 55.800 45.745 63.342 125 1HB GLU 18 2HB GLU 18 56.839 43.666 62.203 126 2HB GLU 18 1HB GLU 18 58.469 44.281 62.663 127 1HG GLU 18 2HG GLU 18 56.912 44.280 65.096 128 2HG GLU 18 1HG GLU 18 56.766 42.606 64.279 129 H GLY 19 H GLY 19 59.271 46.245 62.966 130 1HA GLY 19 1HA GLY 19 59.902 46.523 65.722 131 2HA GLY 19 2HA GLY 19 60.798 47.350 64.387 132 H TYR 20 H TYR 20 58.104 48.739 63.630 133 HA TYR 20 HA TYR 20 58.666 51.027 65.447 134 1HB TYR 20 2HB TYR 20 58.164 51.646 63.229 135 2HB TYR 20 1HB TYR 20 56.884 50.374 63.033 136 HD1 TYR 20 HD1 TYR 20 57.577 53.376 65.087 137 HD2 TYR 20 HD2 TYR 20 54.817 51.027 62.930 138 HE1 TYR 20 HE1 TYR 20 55.799 55.099 65.530 139 HE2 TYR 20 HE2 TYR 20 53.006 52.587 63.270 140 HH TYR 20 HH TYR 20 53.270 55.600 63.986 141 H MET 21 H MET 21 56.242 48.512 64.816 142 HA MET 21 HA MET 21 54.373 49.439 66.928 143 1HB MET 21 2HB MET 21 54.690 46.954 65.093 144 2HB MET 21 1HB MET 21 53.515 47.047 66.431 145 1HG MET 21 2HG MET 21 53.044 49.438 65.158 146 2HG MET 21 1HG MET 21 53.652 48.557 63.733 147 1HE MET 21 3HE MET 21 51.061 50.018 64.337 148 2HE MET 21 2HE MET 21 49.653 49.115 64.050 149 3HE MET 21 1HE MET 21 50.207 49.359 65.786 150 H LYS 22 H LYS 22 57.088 47.631 66.591 151 HA LYS 22 HA LYS 22 56.862 45.986 69.025 152 1HB LYS 22 2HB LYS 22 58.349 45.648 66.663 153 2HB LYS 22 1HB LYS 22 59.545 46.606 67.626 154 1HG LYS 22 2HG LYS 22 58.432 44.776 69.457 155 2HG LYS 22 1HG LYS 22 58.693 43.812 67.902 156 1HD LYS 22 2HD LYS 22 60.769 45.741 69.044 157 2HD LYS 22 1HD LYS 22 60.780 43.977 69.527 158 1HE LYS 22 2HE LYS 22 60.514 43.814 66.773 159 2HE LYS 22 1HE LYS 22 61.409 45.391 66.912 160 1HZ LYS 22 1HZ LYS 22 62.289 42.914 68.320 161 2HZ LYS 22 3HZ LYS 22 62.778 43.189 66.767 162 3HZ LYS 22 2HZ LYS 22 63.236 44.238 67.971 163 H ALA 23 H ALA 23 58.295 48.875 68.016 164 HA ALA 23 HA ALA 23 59.856 49.361 70.408 165 1HB ALA 23 3HB ALA 23 60.040 50.524 68.124 166 2HB ALA 23 2HB ALA 23 58.567 51.543 68.609 167 3HB ALA 23 1HB ALA 23 60.090 51.619 69.552 168 H LEU 24 H LEU 24 56.754 50.093 69.209 169 HA LEU 24 HA LEU 24 55.756 51.785 71.450 170 1HB LEU 24 2HB LEU 24 54.297 49.915 69.362 171 2HB LEU 24 1HB LEU 24 53.483 50.797 70.665 172 HG LEU 24 HG LEU 24 55.255 52.299 68.652 173 1HD1 LEU 24 2HD1 LEU 24 52.692 50.908 68.069 174 2HD1 LEU 24 1HD1 LEU 24 52.540 52.669 67.929 175 3HD1 LEU 24 3HD1 LEU 24 53.866 51.828 66.982 176 1HD2 LEU 24 2HD2 LEU 24 52.932 53.117 70.536 177 2HD2 LEU 24 1HD2 LEU 24 54.678 53.608 70.632 178 3HD2 LEU 24 3HD2 LEU 24 53.679 54.219 69.301 179 H ASP 25 H ASP 25 56.115 48.614 70.448 180 HA ASP 25 HA ASP 25 55.762 46.463 71.453 181 1HB ASP 25 2HB ASP 25 57.184 47.827 73.228 182 2HB ASP 25 1HB ASP 25 55.565 48.214 73.994 183 H ILE 26 H ILE 26 53.979 47.946 70.276 184 HA ILE 26 HA ILE 26 51.604 48.285 71.875 185 HB ILE 26 HB ILE 26 52.281 49.636 69.690 186 1HG1 ILE 26 2HG1 ILE 26 49.504 49.035 69.082 187 2HG1 ILE 26 1HG1 ILE 26 49.859 48.950 70.888 188 1HG2 ILE 26 2HG2 ILE 26 50.869 47.199 68.500 189 2HG2 ILE 26 1HG2 ILE 26 51.176 48.750 67.575 190 3HG2 ILE 26 3HG2 ILE 26 52.583 47.700 68.143 191 1HD1 ILE 26 2HD1 ILE 26 51.083 51.185 70.799 192 2HD1 ILE 26 1HD1 ILE 26 50.789 51.296 69.041 193 3HD1 ILE 26 3HD1 ILE 26 49.387 51.297 70.164 194 H ASP 27 H ASP 27 53.133 45.729 70.702 195 HA ASP 27 HA ASP 27 52.782 43.633 70.522 196 1HB ASP 27 2HB ASP 27 51.855 44.481 72.923 197 2HB ASP 27 1HB ASP 27 50.298 43.701 72.269 198 H PHE 28 H PHE 28 50.318 42.057 70.932 199 HA PHE 28 HA PHE 28 48.431 41.330 69.960 200 1HB PHE 28 2HB PHE 28 48.463 43.736 67.973 201 2HB PHE 28 1HB PHE 28 47.079 42.664 68.568 202 HD1 PHE 28 HD2 PHE 28 48.136 42.686 71.537 203 HD2 PHE 28 HD1 PHE 28 47.368 45.734 68.607 204 HE1 PHE 28 HE2 PHE 28 47.664 44.323 73.373 205 HE2 PHE 28 HE1 PHE 28 46.878 47.425 70.505 206 HZ PHE 28 HZ PHE 28 47.044 46.646 72.813 207 H ALA 29 H ALA 29 51.270 42.206 68.066 208 HA ALA 29 HA ALA 29 52.111 41.439 66.118 209 1HB ALA 29 2HB ALA 29 51.651 39.196 67.681 210 2HB ALA 29 1HB ALA 29 50.358 38.864 66.482 211 3HB ALA 29 3HB ALA 29 52.120 39.005 65.919 212 H THR 30 H THR 30 50.837 43.135 65.840 213 HA THR 30 HA THR 30 48.876 42.673 63.614 214 HB THR 30 HB THR 30 48.854 44.751 65.880 215 HG1 THR 30 1HG THR 30 47.202 42.586 65.272 216 1HG2 THR 30 3HG2 THR 30 47.311 44.271 63.267 217 2HG2 THR 30 2HG2 THR 30 46.274 44.499 64.778 218 3HG2 THR 30 1HG2 THR 30 47.415 45.834 64.234 219 H ARG 31 H ARG 31 51.461 42.828 63.285 220 HA ARG 31 HA ARG 31 51.931 45.559 61.995 221 1HB ARG 31 2HB ARG 31 54.273 45.289 62.321 222 2HB ARG 31 1HB ARG 31 53.405 45.184 63.878 223 1HG ARG 31 2HG ARG 31 53.914 42.477 62.450 224 2HG ARG 31 1HG ARG 31 55.270 43.295 63.290 225 1HD ARG 31 2HD ARG 31 54.289 43.032 65.373 226 2HD ARG 31 1HD ARG 31 52.600 43.067 64.775 227 HE ARG 31 HE ARG 31 52.867 40.889 63.828 228 1HH1 ARG 31 2HH1 ARG 31 55.564 41.801 66.036 229 2HH1 ARG 31 1HH1 ARG 31 56.100 40.155 66.332 230 1HH2 ARG 31 1HH2 ARG 31 53.603 38.683 64.244 231 2HH2 ARG 31 2HH2 ARG 31 54.974 38.434 65.297 232 H LYS 32 H LYS 32 52.231 41.979 61.604 233 HA LYS 32 HA LYS 32 53.198 42.269 58.800 234 1HB LYS 32 2HB LYS 32 54.111 40.709 60.696 235 2HB LYS 32 1HB LYS 32 52.503 39.866 60.493 236 1HG LYS 32 2HG LYS 32 52.966 39.216 58.214 237 2HG LYS 32 1HG LYS 32 54.270 40.405 58.019 238 1HD LYS 32 2HD LYS 32 55.899 39.161 59.285 239 2HD LYS 32 1HD LYS 32 54.634 38.446 60.315 240 1HE LYS 32 2HE LYS 32 54.971 37.639 57.327 241 2HE LYS 32 1HE LYS 32 55.644 36.746 58.803 242 1HZ LYS 32 1HZ LYS 32 52.794 37.415 58.802 243 2HZ LYS 32 3HZ LYS 32 53.388 36.165 57.875 244 3HZ LYS 32 2HZ LYS 32 53.641 36.201 59.522 245 H ILE 33 H ILE 33 50.913 43.443 59.106 246 HA ILE 33 HA ILE 33 49.034 41.606 57.841 247 HB ILE 33 HB ILE 33 48.715 43.070 60.446 248 1HG1 ILE 33 2HG1 ILE 33 46.817 41.123 60.544 249 2HG1 ILE 33 1HG1 ILE 33 47.930 40.444 59.239 250 1HG2 ILE 33 2HG2 ILE 33 46.457 42.957 58.336 251 2HG2 ILE 33 1HG2 ILE 33 46.051 42.903 60.076 252 3HG2 ILE 33 3HG2 ILE 33 46.885 44.351 59.422 253 1HD1 ILE 33 2HD1 ILE 33 49.219 41.631 61.737 254 2HD1 ILE 33 1HD1 ILE 33 48.345 40.067 61.993 255 3HD1 ILE 33 3HD1 ILE 33 49.624 40.147 60.740 256 H ALA 34 H ALA 34 49.651 44.932 59.093 257 HA ALA 34 HA ALA 34 48.259 46.228 56.819 258 1HB ALA 34 1HB ALA 34 48.840 46.910 59.589 259 2HB ALA 34 3HB ALA 34 49.869 48.022 58.574 260 3HB ALA 34 2HB ALA 34 48.102 48.018 58.353 261 H VAL 35 H VAL 35 50.925 44.689 56.914 262 HA VAL 35 HA VAL 35 53.193 46.094 56.415 263 HB VAL 35 HB VAL 35 52.136 43.782 54.681 264 1HG1 VAL 35 2HG1 VAL 35 54.938 45.128 55.042 265 2HG1 VAL 35 1HG1 VAL 35 54.667 43.585 54.118 266 3HG1 VAL 35 3HG1 VAL 35 53.983 45.141 53.533 267 1HG2 VAL 35 1HG2 VAL 35 52.398 43.430 57.212 268 2HG2 VAL 35 3HG2 VAL 35 53.396 42.360 56.089 269 3HG2 VAL 35 2HG2 VAL 35 54.152 43.817 56.946 270 H ARG 36 H ARG 36 50.568 45.569 54.256 271 HA ARG 36 HA ARG 36 50.486 48.068 52.882 272 1HB ARG 36 2HB ARG 36 52.870 47.397 52.056 273 2HB ARG 36 1HB ARG 36 51.991 46.115 51.105 274 1HG ARG 36 2HG ARG 36 51.856 47.802 49.555 275 2HG ARG 36 1HG ARG 36 50.405 48.279 50.587 276 1HD ARG 36 2HD ARG 36 51.485 50.233 50.719 277 2HD ARG 36 1HD ARG 36 52.386 49.457 52.083 278 HE ARG 36 HE ARG 36 53.399 49.146 49.293 279 1HH1 ARG 36 1HH1 ARG 36 53.890 50.603 52.471 280 2HH1 ARG 36 2HH1 ARG 36 55.576 51.065 52.149 281 1HH2 ARG 36 2HH2 ARG 36 55.641 49.759 48.885 282 2HH2 ARG 36 1HH2 ARG 36 56.512 50.587 50.197 283 H LEU 37 H LEU 37 48.372 47.869 52.768 284 HA LEU 37 HA LEU 37 47.539 45.562 50.984 285 1HB LEU 37 2HB LEU 37 45.205 46.058 51.667 286 2HB LEU 37 1HB LEU 37 46.297 45.833 53.146 287 HG LEU 37 HG LEU 37 46.421 48.232 53.465 288 1HD1 LEU 37 3HD1 LEU 37 44.934 48.320 50.796 289 2HD1 LEU 37 2HD1 LEU 37 44.439 49.492 52.081 290 3HD1 LEU 37 1HD1 LEU 37 46.121 49.549 51.454 291 1HD2 LEU 37 1HD2 LEU 37 44.435 46.710 54.273 292 2HD2 LEU 37 3HD2 LEU 37 44.092 48.466 54.211 293 3HD2 LEU 37 2HD2 LEU 37 43.527 47.340 52.858 294 H THR 38 H THR 38 48.570 48.589 51.003 295 HA THR 38 HA THR 38 49.021 49.380 48.607 296 HB THR 38 HB THR 38 45.989 49.439 48.956 297 HG1 THR 38 1HG THR 38 46.079 48.239 47.264 298 1HG2 THR 38 2HG2 THR 38 47.627 51.204 46.920 299 2HG2 THR 38 1HG2 THR 38 45.818 51.010 46.965 300 3HG2 THR 38 3HG2 THR 38 46.700 51.727 48.372 301 H GLN 39 H GLN 39 50.328 51.017 49.162 302 HA GLN 39 HA GLN 39 48.912 53.065 50.770 303 1HB GLN 39 2HB GLN 39 50.368 51.677 52.261 304 2HB GLN 39 1HB GLN 39 51.768 52.058 51.114 305 1HG GLN 39 2HG GLN 39 51.682 54.361 51.617 306 2HG GLN 39 1HG GLN 39 50.015 54.159 52.444 307 1HE2 GLN 39 2HE2 GLN 39 52.308 54.749 55.151 308 2HE2 GLN 39 1HE2 GLN 39 51.489 55.556 53.784 309 H THR 40 H THR 40 49.462 54.933 50.771 310 HA THR 40 HA THR 40 51.276 56.254 48.856 311 HB THR 40 HB THR 40 48.235 56.842 49.038 312 HG1 THR 40 1HG THR 40 48.533 55.091 47.706 313 1HG2 THR 40 1HG2 THR 40 49.788 58.862 48.662 314 2HG2 THR 40 3HG2 THR 40 50.527 58.004 47.251 315 3HG2 THR 40 2HG2 THR 40 48.787 58.480 47.199 316 H LYS 41 H LYS 41 52.367 57.614 49.806 317 HA LYS 41 HA LYS 41 51.156 58.759 52.374 318 1HB LYS 41 2HB LYS 41 53.527 57.652 52.511 319 2HB LYS 41 1HB LYS 41 54.067 58.786 51.196 320 1HG LYS 41 2HG LYS 41 52.823 59.993 53.661 321 2HG LYS 41 1HG LYS 41 54.480 59.312 53.778 322 1HD LYS 41 2HD LYS 41 54.765 60.665 51.387 323 2HD LYS 41 1HD LYS 41 53.434 61.695 52.122 324 1HE LYS 41 2HE LYS 41 55.010 61.617 54.261 325 2HE LYS 41 1HE LYS 41 56.296 61.389 52.985 326 1HZ LYS 41 2HZ LYS 41 54.141 63.496 52.932 327 2HZ LYS 41 1HZ LYS 41 55.706 63.749 53.563 328 3HZ LYS 41 3HZ LYS 41 55.498 63.402 51.973 329 H ILE 42 H ILE 42 50.011 60.437 51.835 330 HA ILE 42 HA ILE 42 51.102 62.234 49.641 331 HB ILE 42 HB ILE 42 48.342 62.372 51.085 332 1HG1 ILE 42 2HG1 ILE 42 47.864 61.837 48.501 333 2HG1 ILE 42 1HG1 ILE 42 49.380 60.841 48.696 334 1HG2 ILE 42 1HG2 ILE 42 49.484 63.838 48.617 335 2HG2 ILE 42 3HG2 ILE 42 47.744 63.744 49.065 336 3HG2 ILE 42 2HG2 ILE 42 48.909 64.521 50.184 337 1HD1 ILE 42 1HD1 ILE 42 47.804 60.489 51.059 338 2HD1 ILE 42 3HD1 ILE 42 46.625 60.211 49.707 339 3HD1 ILE 42 2HD1 ILE 42 48.121 59.201 49.880 340 H ILE 43 H ILE 43 51.055 64.433 49.796 341 HA ILE 43 HA ILE 43 51.476 65.510 52.614 342 HB ILE 43 HB ILE 43 53.392 64.680 51.025 343 1HG1 ILE 43 2HG1 ILE 43 53.079 67.034 52.856 344 2HG1 ILE 43 1HG1 ILE 43 54.144 65.546 53.051 345 1HG2 ILE 43 1HG2 ILE 43 52.619 66.349 49.102 346 2HG2 ILE 43 3HG2 ILE 43 53.279 67.681 50.184 347 3HG2 ILE 43 2HG2 ILE 43 54.376 66.429 49.545 348 1HD1 ILE 43 1HD1 ILE 43 55.562 66.584 51.152 349 2HD1 ILE 43 3HD1 ILE 43 54.671 68.167 51.444 350 3HD1 ILE 43 2HD1 ILE 43 55.646 67.466 52.736 351 H VAL 44 H VAL 44 50.859 67.501 52.900 352 HA VAL 44 HA VAL 44 49.806 69.067 50.486 353 HB VAL 44 HB VAL 44 48.250 68.509 52.992 354 1HG1 VAL 44 3HG1 VAL 44 48.138 70.624 51.224 355 2HG1 VAL 44 2HG1 VAL 44 46.928 69.507 50.485 356 3HG1 VAL 44 1HG1 VAL 44 46.661 70.084 52.185 357 1HG2 VAL 44 1HG2 VAL 44 48.126 67.136 50.180 358 2HG2 VAL 44 3HG2 VAL 44 47.909 66.411 51.825 359 3HG2 VAL 44 2HG2 VAL 44 46.621 67.441 51.159 360 H GLN 45 H GLN 45 51.783 70.272 51.235 361 HA GLN 45 HA GLN 45 51.677 71.715 53.783 362 1HB GLN 45 2HB GLN 45 53.676 70.835 52.169 363 2HB GLN 45 1HB GLN 45 53.438 72.449 51.392 364 1HG GLN 45 2HG GLN 45 53.330 72.661 54.335 365 2HG GLN 45 1HG GLN 45 54.916 71.861 53.780 366 1HE2 GLN 45 2HE2 GLN 45 55.784 75.291 53.714 367 2HE2 GLN 45 1HE2 GLN 45 55.764 73.660 54.646 368 H ASP 46 H ASP 46 51.654 73.732 54.201 369 HA ASP 46 HA ASP 46 50.875 75.562 52.029 370 1HB ASP 46 2HB ASP 46 48.820 74.091 52.547 371 2HB ASP 46 1HB ASP 46 48.721 74.980 54.160 372 H GLY 47 H GLY 47 52.469 76.897 52.921 373 1HA GLY 47 1HA GLY 47 53.422 78.495 54.337 374 2HA GLY 47 2HA GLY 47 51.674 78.937 54.838 375 H ASP 48 H ASP 48 50.787 78.058 56.429 376 HA ASP 48 HA ASP 48 52.805 77.253 58.541 377 1HB ASP 48 2HB ASP 48 51.420 79.172 59.050 378 2HB ASP 48 1HB ASP 48 49.826 78.212 58.859 379 H ASN 49 H ASN 49 49.694 76.294 57.308 380 HA ASN 49 HA ASN 49 49.423 73.826 58.974 381 1HB ASN 49 2HB ASN 49 47.574 75.603 57.772 382 2HB ASN 49 1HB ASN 49 47.619 74.107 56.673 383 1HD2 ASN 49 1HD2 ASN 49 45.272 73.935 59.725 384 2HD2 ASN 49 2HD2 ASN 49 45.742 75.342 58.578 385 H PHE 50 H PHE 50 50.562 72.237 58.566 386 HA PHE 50 HA PHE 50 51.112 71.251 55.772 387 1HB PHE 50 2HB PHE 50 53.143 71.871 57.034 388 2HB PHE 50 1HB PHE 50 52.610 70.797 58.403 389 HD1 PHE 50 HD1 PHE 50 53.077 70.685 54.695 390 HD2 PHE 50 HD2 PHE 50 53.333 68.599 58.445 391 HE1 PHE 50 HE1 PHE 50 54.000 68.695 53.487 392 HE2 PHE 50 HE2 PHE 50 54.240 66.636 57.299 393 HZ PHE 50 HZ PHE 50 54.572 66.699 54.823 394 H LYS 51 H LYS 51 49.364 69.854 55.389 395 HA LYS 51 HA LYS 51 49.101 67.775 57.566 396 1HB LYS 51 2HB LYS 51 46.890 68.365 55.551 397 2HB LYS 51 1HB LYS 51 46.819 67.564 57.169 398 1HG LYS 51 2HG LYS 51 46.441 69.701 58.179 399 2HG LYS 51 1HG LYS 51 47.802 70.450 57.227 400 1HD LYS 51 2HD LYS 51 46.435 70.373 55.249 401 2HD LYS 51 1HD LYS 51 45.019 69.734 56.257 402 1HE LYS 51 2HE LYS 51 44.991 71.773 57.609 403 2HE LYS 51 1HE LYS 51 46.426 72.445 56.700 404 1HZ LYS 51 3HZ LYS 51 43.799 71.610 55.493 405 2HZ LYS 51 2HZ LYS 51 44.103 73.216 55.966 406 3HZ LYS 51 1HZ LYS 51 45.013 72.495 54.780 407 H THR 52 H THR 52 50.613 66.376 56.866 408 HA THR 52 HA THR 52 50.222 65.142 54.133 409 HB THR 52 HB THR 52 52.088 64.911 56.576 410 HG1 THR 52 1HG THR 52 52.480 65.813 54.586 411 1HG2 THR 52 2HG2 THR 52 51.305 62.406 54.874 412 2HG2 THR 52 1HG2 THR 52 52.873 62.576 55.764 413 3HG2 THR 52 3HG2 THR 52 51.322 62.516 56.653 414 H LYS 53 H LYS 53 49.641 63.025 53.750 415 HA LYS 53 HA LYS 53 48.086 61.776 55.958 416 1HB LYS 53 2HB LYS 53 45.945 62.607 55.229 417 2HB LYS 53 1HB LYS 53 46.873 63.692 54.149 418 1HG LYS 53 2HG LYS 53 46.881 61.717 52.459 419 2HG LYS 53 1HG LYS 53 45.492 61.085 53.527 420 1HD LYS 53 2HD LYS 53 44.525 62.378 51.868 421 2HD LYS 53 1HD LYS 53 44.586 63.476 53.382 422 1HE LYS 53 2HE LYS 53 47.045 63.880 52.012 423 2HE LYS 53 1HE LYS 53 45.827 63.711 50.653 424 1HZ LYS 53 1HZ LYS 53 44.598 65.272 52.504 425 2HZ LYS 53 3HZ LYS 53 46.169 65.888 52.510 426 3HZ LYS 53 2HZ LYS 53 45.235 65.855 51.121 427 H THR 54 H THR 54 47.537 59.804 55.588 428 HA THR 54 HA THR 54 48.803 58.367 53.313 429 HB THR 54 HB THR 54 49.684 57.932 55.638 430 HG1 THR 54 1HG THR 54 50.050 56.022 55.202 431 1HG2 THR 54 1HG2 THR 54 47.182 58.106 56.513 432 2HG2 THR 54 3HG2 THR 54 47.116 56.296 56.258 433 3HG2 THR 54 2HG2 THR 54 48.362 56.991 57.319 434 H ASN 55 H ASN 55 47.485 57.685 51.868 435 HA ASN 55 HA ASN 55 44.550 57.664 52.279 436 1HB ASN 55 2HB ASN 55 46.286 58.319 50.210 437 2HB ASN 55 1HB ASN 55 45.404 56.801 49.590 438 1HD2 ASN 55 2HD2 ASN 55 42.191 58.641 50.293 439 2HD2 ASN 55 1HD2 ASN 55 43.013 57.079 50.897 440 H SER 56 H SER 56 46.368 55.429 53.359 441 HA SER 56 HA SER 56 45.689 52.927 52.107 442 1HB SER 56 2HB SER 56 47.196 53.705 54.409 443 2HB SER 56 1HB SER 56 45.595 52.960 55.054 444 HG SER 56 HG SER 56 45.979 51.137 54.080 445 H THR 57 H THR 57 44.290 51.363 52.648 446 HA THR 57 HA THR 57 41.578 52.499 53.234 447 HB THR 57 HB THR 57 40.621 50.474 52.381 448 HG1 THR 57 1HG THR 57 41.920 48.678 51.921 449 1HG2 THR 57 1HG2 THR 57 42.415 51.883 50.765 450 2HG2 THR 57 3HG2 THR 57 42.932 50.125 50.501 451 3HG2 THR 57 2HG2 THR 57 41.278 50.626 50.130 452 H PHE 58 H PHE 58 44.145 50.478 54.325 453 HA PHE 58 HA PHE 58 42.874 49.147 56.564 454 1HB PHE 58 2HB PHE 58 45.766 49.894 56.004 455 2HB PHE 58 1HB PHE 58 45.265 49.524 57.719 456 HD1 PHE 58 HD2 PHE 58 43.256 47.428 57.401 457 HD2 PHE 58 HD1 PHE 58 47.058 47.962 55.338 458 HE1 PHE 58 HE2 PHE 58 43.465 44.977 57.012 459 HE2 PHE 58 HE1 PHE 58 47.186 45.547 54.990 460 HZ PHE 58 HZ PHE 58 45.404 44.034 55.821 461 H ARG 59 H ARG 59 45.079 51.838 56.563 462 HA ARG 59 HA ARG 59 43.242 53.205 58.555 463 1HB ARG 59 2HB ARG 59 45.228 51.604 59.654 464 2HB ARG 59 1HB ARG 59 45.977 53.279 59.726 465 1HG ARG 59 2HG ARG 59 43.615 54.045 60.645 466 2HG ARG 59 1HG ARG 59 43.281 52.264 60.816 467 1HD ARG 59 2HD ARG 59 45.645 52.361 62.161 468 2HD ARG 59 1HD ARG 59 45.112 54.054 62.398 469 HE ARG 59 HE ARG 59 42.934 52.181 62.846 470 1HH1 ARG 59 1HH2 ARG 59 45.797 53.813 64.338 471 2HH1 ARG 59 2HH2 ARG 59 45.140 53.668 65.935 472 1HH2 ARG 59 2HH1 ARG 59 42.194 52.056 65.012 473 2HH2 ARG 59 1HH1 ARG 59 43.100 52.679 66.362 474 H ASN 60 H ASN 60 42.916 54.975 57.906 475 HA ASN 60 HA ASN 60 45.268 56.729 57.060 476 1HB ASN 60 2HB ASN 60 43.041 58.143 56.273 477 2HB ASN 60 1HB ASN 60 43.784 56.829 55.181 478 1HD2 ASN 60 1HD2 ASN 60 41.175 54.527 55.764 479 2HD2 ASN 60 2HD2 ASN 60 42.907 54.555 55.508 480 H TYR 61 H TYR 61 45.828 57.157 59.015 481 HA TYR 61 HA TYR 61 43.936 58.372 60.876 482 1HB TYR 61 2HB TYR 61 46.398 57.121 61.118 483 2HB TYR 61 1HB TYR 61 46.856 58.901 61.378 484 HD1 TYR 61 HD2 TYR 61 44.492 59.909 62.821 485 HD2 TYR 61 HD1 TYR 61 46.555 56.126 63.128 486 HE1 TYR 61 HE2 TYR 61 43.740 59.706 65.127 487 HE2 TYR 61 HE1 TYR 61 45.832 55.888 65.413 488 HH TYR 61 HH TYR 61 44.365 58.513 67.185 489 H ASP 62 H ASP 62 46.870 59.222 59.198 490 HA ASP 62 HA ASP 62 47.461 61.112 57.865 491 1HB ASP 62 2HB ASP 62 46.007 62.562 57.196 492 2HB ASP 62 1HB ASP 62 44.721 61.638 58.169 493 H LEU 63 H LEU 63 48.500 62.888 57.942 494 HA LEU 63 HA LEU 63 49.605 63.555 60.636 495 1HB LEU 63 2HB LEU 63 51.041 62.790 58.542 496 2HB LEU 63 1HB LEU 63 50.777 64.529 57.980 497 HG LEU 63 HG LEU 63 51.865 65.310 60.098 498 1HD1 LEU 63 2HD1 LEU 63 51.417 62.439 60.799 499 2HD1 LEU 63 1HD1 LEU 63 53.010 63.082 61.322 500 3HD1 LEU 63 3HD1 LEU 63 51.512 63.882 61.902 501 1HD2 LEU 63 3HD2 LEU 63 53.175 63.454 58.168 502 2HD2 LEU 63 2HD2 LEU 63 53.743 65.091 58.780 503 3HD2 LEU 63 1HD2 LEU 63 54.066 63.628 59.763 504 H ASP 64 H ASP 64 47.133 64.718 60.288 505 HA ASP 64 HA ASP 64 47.505 67.393 59.108 506 1HB ASP 64 2HB ASP 64 45.224 66.786 59.127 507 2HB ASP 64 1HB ASP 64 45.382 65.893 60.788 508 H PHE 65 H PHE 65 49.189 68.366 59.809 509 HA PHE 65 HA PHE 65 49.309 69.148 62.711 510 1HB PHE 65 2HB PHE 65 51.206 67.816 60.808 511 2HB PHE 65 1HB PHE 65 51.820 69.354 61.542 512 HD1 PHE 65 HD2 PHE 65 49.367 67.109 63.246 513 HD2 PHE 65 HD1 PHE 65 53.512 68.340 62.858 514 HE1 PHE 65 HE2 PHE 65 49.915 65.950 65.323 515 HE2 PHE 65 HE1 PHE 65 54.067 67.196 64.912 516 HZ PHE 65 HZ PHE 65 52.255 65.991 66.140 517 H THR 66 H THR 66 50.866 70.978 62.724 518 HA THR 66 HA THR 66 50.834 72.970 60.511 519 HB THR 66 HB THR 66 49.303 72.988 63.145 520 HG1 THR 66 1HG THR 66 47.996 72.883 61.531 521 1HG2 THR 66 1HG2 THR 66 50.764 75.432 61.792 522 2HG2 THR 66 3HG2 THR 66 49.132 75.656 62.498 523 3HG2 THR 66 2HG2 THR 66 50.471 75.094 63.576 524 H VAL 67 H VAL 67 52.599 74.361 60.690 525 HA VAL 67 HA VAL 67 54.652 73.287 62.519 526 HB VAL 67 HB VAL 67 54.458 75.451 60.441 527 1HG1 VAL 67 2HG1 VAL 67 56.611 75.504 62.618 528 2HG1 VAL 67 1HG1 VAL 67 56.668 76.406 61.067 529 3HG1 VAL 67 3HG1 VAL 67 55.331 76.808 62.285 530 1HG2 VAL 67 1HG2 VAL 67 55.916 72.930 61.074 531 2HG2 VAL 67 3HG2 VAL 67 55.593 73.818 59.520 532 3HG2 VAL 67 2HG2 VAL 67 57.063 74.206 60.543 533 H GLY 68 H GLY 68 55.754 74.158 64.023 534 1HA GLY 68 1HA GLY 68 55.887 75.150 66.230 535 2HA GLY 68 2HA GLY 68 55.295 76.654 65.324 536 H VAL 69 H VAL 69 53.420 73.652 65.754 537 HA VAL 69 HA VAL 69 51.392 75.409 67.119 538 HB VAL 69 HB VAL 69 51.188 73.719 65.059 539 1HG1 VAL 69 1HG1 VAL 69 52.417 71.859 66.577 540 2HG1 VAL 69 3HG1 VAL 69 50.649 71.451 66.865 541 3HG1 VAL 69 2HG1 VAL 69 51.363 71.459 65.217 542 1HG2 VAL 69 2HG2 VAL 69 49.193 74.604 66.727 543 2HG2 VAL 69 1HG2 VAL 69 48.873 73.284 65.547 544 3HG2 VAL 69 3HG2 VAL 69 49.209 72.851 67.256 545 H GLU 70 H GLU 70 53.866 73.079 67.642 546 HA GLU 70 HA GLU 70 54.322 71.771 69.570 547 1HB GLU 70 2HB GLU 70 54.325 74.136 70.522 548 2HB GLU 70 1HB GLU 70 52.644 73.758 71.180 549 1HG GLU 70 2HG GLU 70 54.029 71.490 71.827 550 2HG GLU 70 1HG GLU 70 55.231 72.878 72.205 551 H PHE 71 H PHE 71 53.150 70.272 68.520 552 HA PHE 71 HA PHE 71 50.338 69.701 69.143 553 1HB PHE 71 2HB PHE 71 51.981 68.716 67.303 554 2HB PHE 71 1HB PHE 71 52.289 67.412 68.562 555 HD1 PHE 71 HD2 PHE 71 49.610 69.124 66.637 556 HD2 PHE 71 HD1 PHE 71 50.758 65.703 68.960 557 HE1 PHE 71 HE2 PHE 71 47.520 67.974 65.997 558 HE2 PHE 71 HE1 PHE 71 48.730 64.553 68.364 559 HZ PHE 71 HZ PHE 71 47.067 65.622 66.879 560 H ASP 72 H ASP 72 50.633 70.272 71.413 561 HA ASP 72 HA ASP 72 51.897 68.779 73.396 562 1HB ASP 72 2HB ASP 72 50.266 70.970 73.200 563 2HB ASP 72 1HB ASP 72 49.070 69.852 74.011 564 H GLU 73 H GLU 73 51.870 66.711 72.978 565 HA GLU 73 HA GLU 73 51.199 64.395 72.917 566 1HB GLU 73 2HB GLU 73 50.614 63.826 75.097 567 2HB GLU 73 1HB GLU 73 51.433 65.440 75.290 568 1HG GLU 73 2HG GLU 73 48.583 65.774 74.763 569 2HG GLU 73 1HG GLU 73 48.819 64.634 76.225 570 H HIS 74 H HIS 74 49.164 63.213 73.955 571 HA HIS 74 HA HIS 74 46.953 62.586 73.740 572 1HB HIS 74 2HB HIS 74 46.632 65.164 73.175 573 2HB HIS 74 1HB HIS 74 46.379 64.466 71.483 574 HD1 HIS 74 HD1 HIS 74 44.342 62.924 71.074 575 HD2 HIS 74 HD2 HIS 74 44.784 64.246 75.096 576 HE1 HIS 74 HE1 HIS 74 42.217 62.238 72.349 577 HE2 HIS 74 HE2 HIS 74 42.534 63.062 74.784 578 H THR 75 H THR 75 47.557 60.756 73.213 579 HA THR 75 HA THR 75 46.925 59.860 70.455 580 HB THR 75 HB THR 75 48.997 59.332 69.921 581 HG1 THR 75 1HG THR 75 49.941 57.595 71.023 582 1HG2 THR 75 3HG2 THR 75 49.820 61.020 71.876 583 2HG2 THR 75 2HG2 THR 75 49.818 59.573 73.007 584 3HG2 THR 75 1HG2 THR 75 50.979 59.660 71.640 585 H LYS 76 H LYS 76 46.528 57.825 70.229 586 HA LYS 76 HA LYS 76 46.548 55.764 72.249 587 1HB LYS 76 2HB LYS 76 43.916 55.819 72.565 588 2HB LYS 76 1HB LYS 76 45.043 56.775 73.652 589 1HG LYS 76 2HG LYS 76 44.602 58.866 72.304 590 2HG LYS 76 1HG LYS 76 43.538 57.896 71.192 591 1HD LYS 76 2HD LYS 76 42.629 57.303 73.787 592 2HD LYS 76 1HD LYS 76 43.031 59.081 73.845 593 1HE LYS 76 2HE LYS 76 40.779 59.045 73.022 594 2HE LYS 76 1HE LYS 76 41.844 59.322 71.553 595 1HZ LYS 76 2HZ LYS 76 41.748 56.932 71.115 596 2HZ LYS 76 1HZ LYS 76 40.550 56.761 72.270 597 3HZ LYS 76 3HZ LYS 76 40.255 57.667 70.941 598 H GLY 77 H GLY 77 46.131 54.039 71.551 599 1HA GLY 77 1HA GLY 77 44.778 52.377 70.201 600 2HA GLY 77 2HA GLY 77 44.555 53.673 68.965 601 H LEU 78 H LEU 78 47.517 54.027 70.241 602 HA LEU 78 HA LEU 78 49.052 52.187 68.500 603 1HB LEU 78 2HB LEU 78 48.020 54.184 67.148 604 2HB LEU 78 1HB LEU 78 49.360 55.161 67.913 605 HG LEU 78 HG LEU 78 50.759 52.973 67.202 606 1HD1 LEU 78 3HD1 LEU 78 48.703 51.859 66.280 607 2HD1 LEU 78 2HD1 LEU 78 48.841 52.964 64.848 608 3HD1 LEU 78 1HD1 LEU 78 50.225 51.835 65.287 609 1HD2 LEU 78 3HD2 LEU 78 49.922 55.423 65.524 610 2HD2 LEU 78 2HD2 LEU 78 51.506 55.175 66.265 611 3HD2 LEU 78 1HD2 LEU 78 51.053 54.177 64.799 612 H ASP 79 H ASP 79 49.007 52.985 71.295 613 HA ASP 79 HA ASP 79 51.633 52.907 71.970 614 1HB ASP 79 2HB ASP 79 52.273 54.959 70.947 615 2HB ASP 79 1HB ASP 79 50.757 55.849 71.561 616 H GLY 80 H GLY 80 49.259 55.469 72.727 617 1HA GLY 80 1HA GLY 80 47.949 55.903 74.564 618 2HA GLY 80 2HA GLY 80 48.302 54.207 75.186 619 H ARG 81 H ARG 81 49.288 57.496 74.636 620 HA ARG 81 HA ARG 81 50.528 57.731 77.323 621 1HB ARG 81 2HB ARG 81 52.252 56.607 75.608 622 2HB ARG 81 1HB ARG 81 52.532 58.303 75.069 623 1HG ARG 81 2HG ARG 81 54.013 58.114 76.998 624 2HG ARG 81 1HG ARG 81 52.539 58.777 77.726 625 1HD ARG 81 2HD ARG 81 52.454 56.917 79.054 626 2HD ARG 81 1HD ARG 81 52.210 55.870 77.569 627 HE ARG 81 HE ARG 81 54.990 56.529 77.816 628 1HH1 ARG 81 2HH2 ARG 81 52.415 54.553 79.255 629 2HH1 ARG 81 1HH2 ARG 81 53.504 53.268 79.825 630 1HH2 ARG 81 1HH1 ARG 81 56.439 54.848 78.536 631 2HH2 ARG 81 2HH1 ARG 81 55.851 53.441 79.397 632 H ASN 82 H ASN 82 52.333 60.008 76.305 633 HA ASN 82 HA ASN 82 50.583 61.908 75.138 634 1HB ASN 82 2HB ASN 82 50.723 61.546 78.163 635 2HB ASN 82 1HB ASN 82 50.880 63.333 77.553 636 1HD2 ASN 82 1HD2 ASN 82 47.374 62.401 78.342 637 2HD2 ASN 82 2HD2 ASN 82 48.893 62.343 79.180 638 H VAL 83 H VAL 83 51.838 62.949 73.937 639 HA VAL 83 HA VAL 83 54.533 63.837 75.107 640 HB VAL 83 HB VAL 83 53.940 62.287 72.571 641 1HG1 VAL 83 2HG1 VAL 83 56.519 63.650 73.509 642 2HG1 VAL 83 1HG1 VAL 83 56.669 62.100 72.625 643 3HG1 VAL 83 3HG1 VAL 83 55.846 63.461 71.798 644 1HG2 VAL 83 1HG2 VAL 83 55.125 61.499 75.277 645 2HG2 VAL 83 3HG2 VAL 83 54.053 60.542 74.170 646 3HG2 VAL 83 2HG2 VAL 83 55.856 60.698 73.858 647 H LYS 84 H LYS 84 55.199 65.631 74.684 648 HA LYS 84 HA LYS 84 53.882 67.486 72.973 649 1HB LYS 84 2HB LYS 84 56.584 67.341 74.400 650 2HB LYS 84 1HB LYS 84 56.335 68.630 73.118 651 1HG LYS 84 2HG LYS 84 54.460 69.564 74.101 652 2HG LYS 84 1HG LYS 84 54.173 68.110 75.191 653 1HD LYS 84 2HD LYS 84 56.865 69.479 75.275 654 2HD LYS 84 1HD LYS 84 55.500 70.418 76.040 655 1HE LYS 84 2HE LYS 84 55.052 67.743 77.040 656 2HE LYS 84 1HE LYS 84 56.875 67.846 76.823 657 1HZ LYS 84 1HZ LYS 84 56.792 69.928 78.111 658 2HZ LYS 84 3HZ LYS 84 55.153 69.724 78.348 659 3HZ LYS 84 2HZ LYS 84 56.268 68.655 79.036 660 H THR 85 H THR 85 53.787 67.431 70.933 661 HA THR 85 HA THR 85 56.156 66.418 69.284 662 HB THR 85 HB THR 85 53.163 65.855 69.238 663 HG1 THR 85 1HG THR 85 54.004 64.510 70.383 664 1HG2 THR 85 1HG2 THR 85 55.508 65.052 67.296 665 2HG2 THR 85 3HG2 THR 85 53.810 64.410 67.128 666 3HG2 THR 85 2HG2 THR 85 54.210 66.146 66.724 667 H LEU 86 H LEU 86 56.798 68.433 69.576 668 HA LEU 86 HA LEU 86 55.614 70.666 68.147 669 1HB LEU 86 2HB LEU 86 57.684 70.646 69.942 670 2HB LEU 86 1HB LEU 86 58.616 70.259 68.432 671 HG LEU 86 HG LEU 86 57.489 72.325 67.337 672 1HD1 LEU 86 3HD1 LEU 86 56.888 72.378 70.273 673 2HD1 LEU 86 2HD1 LEU 86 57.514 73.963 69.655 674 3HD1 LEU 86 1HD1 LEU 86 56.000 73.250 68.912 675 1HD2 LEU 86 1HD2 LEU 86 60.010 71.908 68.450 676 2HD2 LEU 86 3HD2 LEU 86 59.448 73.518 67.815 677 3HD2 LEU 86 2HD2 LEU 86 59.361 73.186 69.572 678 H VAL 87 H VAL 87 55.973 71.452 66.281 679 HA VAL 87 HA VAL 87 57.456 69.889 64.272 680 HB VAL 87 HB VAL 87 55.183 71.524 63.187 681 1HG1 VAL 87 1HG1 VAL 87 56.539 69.613 62.025 682 2HG1 VAL 87 3HG1 VAL 87 55.580 68.491 63.051 683 3HG1 VAL 87 2HG1 VAL 87 54.766 69.633 61.866 684 1HG2 VAL 87 2HG2 VAL 87 54.231 70.861 65.475 685 2HG2 VAL 87 1HG2 VAL 87 53.300 70.043 64.145 686 3HG2 VAL 87 3HG2 VAL 87 54.521 69.132 65.106 687 H THR 88 H THR 88 58.769 70.978 63.035 688 HA THR 88 HA THR 88 58.743 73.966 62.954 689 HB THR 88 HB THR 88 60.583 72.012 64.389 690 HG1 THR 88 1HG THR 88 59.876 73.156 65.907 691 1HG2 THR 88 3HG2 THR 88 61.331 74.723 62.995 692 2HG2 THR 88 2HG2 THR 88 62.373 73.996 64.335 693 3HG2 THR 88 1HG2 THR 88 62.163 73.090 62.825 694 H TRP 89 H TRP 89 60.183 74.688 61.398 695 HA TRP 89 HA TRP 89 60.662 72.922 59.026 696 1HB TRP 89 2HB TRP 89 60.734 75.964 59.658 697 2HB TRP 89 1HB TRP 89 61.411 75.318 58.102 698 HD1 TRP 89 HD1 TRP 89 58.085 76.319 59.569 699 HE1 TRP 89 HE1 TRP 89 56.299 75.092 58.229 700 HE3 TRP 89 HE3 TRP 89 61.073 73.173 57.074 701 HZ2 TRP 89 HZ2 TRP 89 56.214 72.906 56.323 702 HZ3 TRP 89 HZ3 TRP 89 60.160 71.489 55.492 703 HH2 TRP 89 HH2 TRP 89 57.828 71.404 55.222 704 H GLU 90 H GLU 90 62.810 72.405 58.198 705 HA GLU 90 HA GLU 90 64.676 72.836 60.449 706 1HB GLU 90 2HB GLU 90 64.497 70.656 59.533 707 2HB GLU 90 1HB GLU 90 64.813 71.272 57.861 708 1HG GLU 90 2HG GLU 90 66.963 70.122 58.939 709 2HG GLU 90 1HG GLU 90 67.128 71.953 58.640 710 H GLY 91 H GLY 91 64.019 73.574 57.205 711 1HA GLY 91 1HA GLY 91 65.052 76.079 56.884 712 2HA GLY 91 2HA GLY 91 66.442 74.996 56.367 713 H ASN 92 H ASN 92 65.016 72.846 55.765 714 HA ASN 92 HA ASN 92 62.995 73.261 53.706 715 1HB ASN 92 2HB ASN 92 64.951 71.632 52.270 716 2HB ASN 92 1HB ASN 92 64.310 73.306 51.855 717 1HD2 ASN 92 2HD2 ASN 92 67.647 72.911 54.273 718 2HD2 ASN 92 1HD2 ASN 92 66.251 71.834 54.406 719 H THR 93 H THR 93 62.228 72.224 55.578 720 HA THR 93 HA THR 93 61.249 69.765 55.204 721 HB THR 93 HB THR 93 63.441 68.566 55.135 722 HG1 THR 93 1HG THR 93 61.768 67.624 55.670 723 1HG2 THR 93 2HG2 THR 93 63.563 69.695 58.082 724 2HG2 THR 93 1HG2 THR 93 64.226 68.061 57.672 725 3HG2 THR 93 3HG2 THR 93 64.982 69.534 56.989 726 H LEU 94 H LEU 94 60.163 68.754 56.513 727 HA LEU 94 HA LEU 94 59.308 70.268 58.916 728 1HB LEU 94 2HB LEU 94 57.677 69.587 57.144 729 2HB LEU 94 1HB LEU 94 58.009 67.865 57.549 730 HG LEU 94 HG LEU 94 57.692 69.086 60.029 731 1HD1 LEU 94 2HD1 LEU 94 55.576 70.178 58.103 732 2HD1 LEU 94 1HD1 LEU 94 55.107 69.808 59.789 733 3HD1 LEU 94 3HD1 LEU 94 56.475 70.982 59.505 734 1HD2 LEU 94 1HD2 LEU 94 56.062 67.150 58.329 735 2HD2 LEU 94 3HD2 LEU 94 56.842 66.878 59.923 736 3HD2 LEU 94 2HD2 LEU 94 55.269 67.771 59.818 737 H VAL 95 H VAL 95 60.920 69.976 60.219 738 HA VAL 95 HA VAL 95 61.566 67.342 61.298 739 HB VAL 95 HB VAL 95 61.921 70.257 62.289 740 1HG1 VAL 95 1HG1 VAL 95 63.099 67.693 63.483 741 2HG1 VAL 95 3HG1 VAL 95 63.900 69.277 63.581 742 3HG1 VAL 95 2HG1 VAL 95 62.249 69.107 64.319 743 1HG2 VAL 95 2HG2 VAL 95 63.146 69.373 60.130 744 2HG2 VAL 95 1HG2 VAL 95 64.290 70.031 61.438 745 3HG2 VAL 95 3HG2 VAL 95 64.034 68.208 61.142 746 H CYS 96 H CYS 96 60.660 66.428 63.182 747 HA CYS 96 HA CYS 96 59.250 68.318 64.979 748 1HB CYS 96 2HB CYS 96 57.664 65.768 64.868 749 2HB CYS 96 1HB CYS 96 57.050 67.432 64.678 750 HG CYS 96 HG CYS 96 57.046 65.367 62.582 751 H VAL 97 H VAL 97 59.275 67.854 66.909 752 HA VAL 97 HA VAL 97 60.947 65.533 67.786 753 HB VAL 97 HB VAL 97 61.415 67.093 69.780 754 1HG1 VAL 97 2HG1 VAL 97 62.668 66.805 67.156 755 2HG1 VAL 97 1HG1 VAL 97 62.398 68.606 67.391 756 3HG1 VAL 97 3HG1 VAL 97 63.337 67.692 68.603 757 1HG2 VAL 97 3HG2 VAL 97 59.421 68.570 69.003 758 2HG2 VAL 97 2HG2 VAL 97 60.920 69.276 69.801 759 3HG2 VAL 97 1HG2 VAL 97 60.704 69.374 67.990 760 H GLN 98 H GLN 98 59.988 64.035 68.859 761 HA GLN 98 HA GLN 98 57.511 64.513 70.492 762 1HB GLN 98 2HB GLN 98 59.069 62.121 69.497 763 2HB GLN 98 1HB GLN 98 57.675 61.927 70.706 764 1HG GLN 98 2HG GLN 98 56.874 63.671 68.451 765 2HG GLN 98 1HG GLN 98 57.543 62.094 67.806 766 1HE2 GLN 98 2HE2 GLN 98 54.171 61.177 68.161 767 2HE2 GLN 98 1HE2 GLN 98 55.464 61.775 67.083 768 H LYS 99 H LYS 99 58.079 65.545 72.190 769 HA LYS 99 HA LYS 99 60.392 64.367 73.756 770 1HB LYS 99 2HB LYS 99 59.974 66.908 73.503 771 2HB LYS 99 1HB LYS 99 58.645 66.679 74.716 772 1HG LYS 99 2HG LYS 99 60.748 67.457 75.765 773 2HG LYS 99 1HG LYS 99 60.262 65.836 76.404 774 1HD LYS 99 2HD LYS 99 62.792 66.455 75.782 775 2HD LYS 99 1HD LYS 99 62.162 64.812 75.278 776 1HE LYS 99 2HE LYS 99 63.384 65.851 73.416 777 2HE LYS 99 1HE LYS 99 61.643 65.923 73.002 778 1HZ LYS 99 2HZ LYS 99 62.436 68.194 74.524 779 2HZ LYS 99 1HZ LYS 99 63.328 68.133 73.095 780 3HZ LYS 99 3HZ LYS 99 61.661 68.173 73.069 781 H GLY 100 H GLY 100 59.266 62.434 73.940 782 1HA GLY 100 1HA GLY 100 56.827 62.410 75.622 783 2HA GLY 100 2HA GLY 100 57.630 60.920 75.059 784 H GLU 101 H GLU 101 58.592 59.741 76.392 785 HA GLU 101 HA GLU 101 60.395 60.439 78.438 786 1HB GLU 101 2HB GLU 101 58.280 61.441 79.568 787 2HB GLU 101 1HB GLU 101 57.418 59.916 79.287 788 1HG GLU 101 2HG GLU 101 58.509 58.764 80.973 789 2HG GLU 101 1HG GLU 101 60.088 59.729 80.704 790 H LYS 102 H LYS 102 61.337 58.739 77.665 791 HA LYS 102 HA LYS 102 61.953 56.399 78.566 792 1HB LYS 102 2HB LYS 102 59.667 55.808 79.191 793 2HB LYS 102 1HB LYS 102 59.189 55.803 77.427 794 1HG LYS 102 2HG LYS 102 61.643 54.121 77.945 795 2HG LYS 102 1HG LYS 102 60.121 53.568 78.781 796 1HD LYS 102 2HD LYS 102 58.792 53.886 76.682 797 2HD LYS 102 1HD LYS 102 60.348 54.123 75.797 798 1HE LYS 102 2HE LYS 102 61.033 51.850 76.267 799 2HE LYS 102 1HE LYS 102 59.765 51.681 77.577 800 1HZ LYS 102 3HZ LYS 102 58.108 52.017 75.690 801 2HZ LYS 102 2HZ LYS 102 59.381 51.868 74.650 802 3HZ LYS 102 1HZ LYS 102 59.002 50.592 75.642 803 H GLU 103 H GLU 103 60.371 57.780 75.856 804 HA GLU 103 HA GLU 103 62.352 56.457 74.038 805 1HB GLU 103 2HB GLU 103 60.490 56.375 72.328 806 2HB GLU 103 1HB GLU 103 60.137 55.319 73.754 807 1HG GLU 103 2HG GLU 103 59.252 58.039 74.276 808 2HG GLU 103 1HG GLU 103 58.363 57.341 72.784 809 H ASN 104 H ASN 104 62.144 57.225 71.794 810 HA ASN 104 HA ASN 104 61.858 60.186 71.783 811 1HB ASN 104 2HB ASN 104 64.006 58.182 70.890 812 2HB ASN 104 1HB ASN 104 63.798 59.666 69.798 813 1HD2 ASN 104 2HD2 ASN 104 66.347 60.230 72.564 814 2HD2 ASN 104 1HD2 ASN 104 66.101 58.976 71.180 815 H ARG 105 H ARG 105 59.800 60.215 70.663 816 HA ARG 105 HA ARG 105 59.644 58.404 68.337 817 1HB ARG 105 2HB ARG 105 57.287 60.029 69.470 818 2HB ARG 105 1HB ARG 105 57.328 58.779 68.166 819 1HG ARG 105 2HG ARG 105 58.490 58.229 70.960 820 2HG ARG 105 1HG ARG 105 56.747 57.881 70.574 821 1HD ARG 105 2HD ARG 105 57.363 56.361 68.719 822 2HD ARG 105 1HD ARG 105 59.101 56.696 68.960 823 HE ARG 105 HE ARG 105 58.495 56.015 71.442 824 1HH1 ARG 105 2HH1 ARG 105 57.249 54.462 68.404 825 2HH1 ARG 105 1HH1 ARG 105 57.017 52.912 69.228 826 1HH2 ARG 105 1HH2 ARG 105 58.125 53.843 72.378 827 2HH2 ARG 105 2HH2 ARG 105 57.471 52.573 71.336 828 H GLY 106 H GLY 106 61.044 61.023 68.820 829 1HA GLY 106 1HA GLY 106 60.173 63.074 67.030 830 2HA GLY 106 2HA GLY 106 61.886 62.499 67.234 831 H TRP 107 H TRP 107 59.022 62.368 65.447 832 HA TRP 107 HA TRP 107 60.402 60.948 63.282 833 1HB TRP 107 2HB TRP 107 58.510 59.895 62.561 834 2HB TRP 107 1HB TRP 107 57.745 60.275 64.189 835 HD1 TRP 107 HD1 TRP 107 58.036 61.431 60.373 836 HE1 TRP 107 HE1 TRP 107 56.320 63.203 59.885 837 HE3 TRP 107 HE3 TRP 107 56.509 62.050 65.105 838 HZ2 TRP 107 HZ2 TRP 107 54.636 64.610 61.335 839 HZ3 TRP 107 HZ3 TRP 107 54.740 63.724 65.566 840 HH2 TRP 107 HH2 TRP 107 53.839 64.961 63.629 841 H LYS 108 H LYS 108 60.568 61.616 61.376 842 HA LYS 108 HA LYS 108 59.544 64.286 60.717 843 1HB LYS 108 2HB LYS 108 62.352 64.542 60.078 844 2HB LYS 108 1HB LYS 108 61.548 65.265 61.542 845 1HG LYS 108 2HG LYS 108 62.009 63.036 62.766 846 2HG LYS 108 1HG LYS 108 63.013 62.592 61.253 847 1HD LYS 108 2HD LYS 108 64.736 63.429 62.560 848 2HD LYS 108 1HD LYS 108 64.171 64.977 61.898 849 1HE LYS 108 2HE LYS 108 62.561 65.007 64.002 850 2HE LYS 108 1HE LYS 108 63.364 63.458 64.496 851 1HZ LYS 108 3HZ LYS 108 65.548 64.856 64.381 852 2HZ LYS 108 2HZ LYS 108 64.436 66.147 64.591 853 3HZ LYS 108 1HZ LYS 108 64.485 64.922 65.679 854 H GLN 109 H GLN 109 60.853 65.213 58.864 855 HA GLN 109 HA GLN 109 61.167 62.984 56.767 856 1HB GLN 109 2HB GLN 109 59.963 64.935 55.256 857 2HB GLN 109 1HB GLN 109 58.893 63.743 56.137 858 1HG GLN 109 2HG GLN 109 59.822 66.287 57.607 859 2HG GLN 109 1HG GLN 109 58.682 66.392 56.141 860 1HE2 GLN 109 1HE2 GLN 109 57.326 64.797 59.608 861 2HE2 GLN 109 2HE2 GLN 109 59.039 65.498 59.458 862 H TRP 110 H TRP 110 61.851 64.067 54.565 863 HA TRP 110 HA TRP 110 62.990 66.603 54.502 864 1HB TRP 110 2HB TRP 110 65.453 65.886 54.787 865 2HB TRP 110 1HB TRP 110 64.405 66.379 56.196 866 HD1 TRP 110 HD1 TRP 110 64.862 62.860 54.386 867 HE1 TRP 110 HE1 TRP 110 65.374 61.185 56.346 868 HE3 TRP 110 HE3 TRP 110 64.798 66.118 58.028 869 HZ2 TRP 110 HZ2 TRP 110 65.705 61.437 59.120 870 HZ3 TRP 110 HZ3 TRP 110 65.217 65.516 60.378 871 HH2 TRP 110 HH2 TRP 110 65.672 63.177 60.869 872 H VAL 111 H VAL 111 62.489 66.794 52.628 873 HA VAL 111 HA VAL 111 62.425 65.091 50.435 874 HB VAL 111 HB VAL 111 63.426 68.044 50.420 875 1HG1 VAL 111 3HG1 VAL 111 63.688 66.825 48.330 876 2HG1 VAL 111 2HG1 VAL 111 61.957 66.421 48.277 877 3HG1 VAL 111 1HG1 VAL 111 62.533 68.180 48.166 878 1HG2 VAL 111 1HG2 VAL 111 60.813 66.935 51.368 879 2HG2 VAL 111 3HG2 VAL 111 61.554 68.592 51.382 880 3HG2 VAL 111 2HG2 VAL 111 60.650 68.007 49.913 881 H GLU 112 H GLU 112 64.029 63.660 50.236 882 HA GLU 112 HA GLU 112 66.768 64.711 49.559 883 1HB GLU 112 2HB GLU 112 65.730 62.423 51.116 884 2HB GLU 112 1HB GLU 112 67.011 61.935 49.942 885 1HG GLU 112 2HG GLU 112 67.543 64.450 51.553 886 2HG GLU 112 1HG GLU 112 67.646 62.732 52.374 887 H GLY 113 H GLY 113 66.690 65.154 47.568 888 1HA GLY 113 1HA GLY 113 66.728 64.727 45.173 889 2HA GLY 113 2HA GLY 113 67.263 63.091 45.661 890 H ASP 114 H ASP 114 64.320 65.102 45.301 891 HA ASP 114 HA ASP 114 62.165 64.483 44.574 892 1HB ASP 114 2HB ASP 114 64.049 62.615 42.888 893 2HB ASP 114 1HB ASP 114 62.276 62.927 42.519 894 H LYS 115 H LYS 115 62.161 63.545 46.807 895 HA LYS 115 HA LYS 115 60.252 61.735 47.146 896 1HB LYS 115 2HB LYS 115 61.296 59.514 47.707 897 2HB LYS 115 1HB LYS 115 61.620 59.907 45.961 898 1HG LYS 115 2HG LYS 115 63.881 60.365 46.207 899 2HG LYS 115 1HG LYS 115 63.667 60.870 47.938 900 1HD LYS 115 2HD LYS 115 62.836 58.146 47.830 901 2HD LYS 115 1HD LYS 115 64.288 58.209 46.711 902 1HE LYS 115 2HE LYS 115 64.153 59.586 49.496 903 2HE LYS 115 1HE LYS 115 64.523 57.844 49.300 904 1HZ LYS 115 3HZ LYS 115 66.084 59.628 47.564 905 2HZ LYS 115 2HZ LYS 115 66.415 59.873 49.165 906 3HZ LYS 115 1HZ LYS 115 66.562 58.320 48.457 907 H LEU 116 H LEU 116 59.802 61.144 49.172 908 HA LEU 116 HA LEU 116 61.327 63.010 50.937 909 1HB LEU 116 2HB LEU 116 58.653 61.744 50.911 910 2HB LEU 116 1HB LEU 116 59.358 61.767 52.592 911 HG LEU 116 HG LEU 116 57.977 63.797 51.863 912 1HD1 LEU 116 2HD1 LEU 116 59.706 63.606 53.808 913 2HD1 LEU 116 1HD1 LEU 116 60.958 64.272 52.678 914 3HD1 LEU 116 3HD1 LEU 116 59.578 65.314 53.096 915 1HD2 LEU 116 3HD2 LEU 116 59.468 63.907 49.591 916 2HD2 LEU 116 2HD2 LEU 116 58.716 65.375 50.286 917 3HD2 LEU 116 1HD2 LEU 116 60.476 64.981 50.623 918 H TYR 117 H TYR 117 61.195 62.094 53.394 919 HA TYR 117 HA TYR 117 62.183 59.395 53.396 920 1HB TYR 117 2HB TYR 117 64.032 61.717 53.045 921 2HB TYR 117 1HB TYR 117 64.454 60.864 54.610 922 HD1 TYR 117 HD2 TYR 117 63.415 58.038 52.887 923 HD2 TYR 117 HD1 TYR 117 66.514 61.086 52.407 924 HE1 TYR 117 HE2 TYR 117 64.745 56.513 51.622 925 HE2 TYR 117 HE1 TYR 117 67.776 59.480 51.141 926 HH TYR 117 HH TYR 117 67.988 56.983 51.030 927 H LEU 118 H LEU 118 60.440 59.447 54.407 928 HA LEU 118 HA LEU 118 60.118 60.580 57.109 929 1HB LEU 118 2HB LEU 118 58.497 59.493 55.225 930 2HB LEU 118 1HB LEU 118 58.746 58.007 56.273 931 HG LEU 118 HG LEU 118 57.593 60.700 57.246 932 1HD1 LEU 118 1HD1 LEU 118 56.557 57.945 56.499 933 2HD1 LEU 118 3HD1 LEU 118 55.692 58.911 57.768 934 3HD1 LEU 118 2HD1 LEU 118 55.880 59.570 56.083 935 1HD2 LEU 118 1HD2 LEU 118 59.049 59.082 58.977 936 2HD2 LEU 118 3HD2 LEU 118 57.501 59.787 59.436 937 3HD2 LEU 118 2HD2 LEU 118 57.517 58.077 58.756 938 H GLU 119 H GLU 119 61.995 60.340 58.069 939 HA GLU 119 HA GLU 119 62.809 57.571 58.955 940 1HB GLU 119 2HB GLU 119 64.194 60.296 58.640 941 2HB GLU 119 1HB GLU 119 64.761 59.133 59.863 942 1HG GLU 119 2HG GLU 119 65.235 57.388 58.246 943 2HG GLU 119 1HG GLU 119 64.325 58.291 56.942 944 H LEU 120 H LEU 120 61.452 57.091 60.458 945 HA LEU 120 HA LEU 120 61.281 59.072 62.657 946 1HB LEU 120 2HB LEU 120 59.369 58.358 63.406 947 2HB LEU 120 1HB LEU 120 59.175 57.834 61.632 948 HG LEU 120 HG LEU 120 60.343 55.599 62.765 949 1HD1 LEU 120 3HD1 LEU 120 58.661 57.100 64.879 950 2HD1 LEU 120 2HD1 LEU 120 58.142 55.428 64.540 951 3HD1 LEU 120 1HD1 LEU 120 59.836 55.756 65.154 952 1HD2 LEU 120 3HD2 LEU 120 58.282 55.908 61.189 953 2HD2 LEU 120 2HD2 LEU 120 58.271 54.473 62.292 954 3HD2 LEU 120 1HD2 LEU 120 57.275 55.874 62.686 955 H THR 121 H THR 121 61.310 58.200 64.827 956 HA THR 121 HA THR 121 62.952 55.680 65.146 957 HB THR 121 HB THR 121 64.360 57.932 64.876 958 HG1 THR 121 1HG THR 121 65.652 56.668 66.678 959 1HG2 THR 121 3HG2 THR 121 63.135 59.043 67.074 960 2HG2 THR 121 2HG2 THR 121 64.032 57.717 67.944 961 3HG2 THR 121 1HG2 THR 121 64.936 59.022 67.057 962 H CYS 122 H CYS 122 62.950 54.962 67.525 963 HA CYS 122 HA CYS 122 60.894 56.175 69.253 964 1HB CYS 122 2HB CYS 122 59.876 53.549 68.928 965 2HB CYS 122 1HB CYS 122 59.240 54.893 67.991 966 HG CYS 122 HG CYS 122 60.482 52.251 67.078 967 H GLY 123 H GLY 123 63.190 56.204 69.762 968 1HA GLY 123 1HA GLY 123 64.353 55.699 71.910 969 2HA GLY 123 2HA GLY 123 63.592 54.074 71.849 970 H ASP 124 H ASP 124 64.150 52.785 70.008 971 HA ASP 124 HA ASP 124 66.743 53.037 68.629 972 1HB ASP 124 2HB ASP 124 67.413 50.735 69.861 973 2HB ASP 124 1HB ASP 124 67.779 52.309 70.703 974 H GLN 125 H GLN 125 64.693 53.022 67.372 975 HA GLN 125 HA GLN 125 64.654 50.255 66.202 976 1HB GLN 125 2HB GLN 125 62.197 51.445 67.670 977 2HB GLN 125 1HB GLN 125 61.958 50.379 66.268 978 1HG GLN 125 2HG GLN 125 63.318 49.603 68.866 979 2HG GLN 125 1HG GLN 125 61.744 49.030 68.139 980 1HE2 GLN 125 1HE2 GLN 125 63.231 47.302 65.360 981 2HE2 GLN 125 2HE2 GLN 125 61.861 48.455 65.914 982 H VAL 126 H VAL 126 65.573 52.701 65.639 983 HA VAL 126 HA VAL 126 64.277 54.549 64.164 984 HB VAL 126 HB VAL 126 66.797 54.498 64.345 985 1HG1 VAL 126 1HG1 VAL 126 66.489 51.781 63.555 986 2HG1 VAL 126 3HG1 VAL 126 67.145 52.553 62.077 987 3HG1 VAL 126 2HG1 VAL 126 68.081 52.687 63.641 988 1HG2 VAL 126 1HG2 VAL 126 65.576 55.672 62.494 989 2HG2 VAL 126 3HG2 VAL 126 67.288 55.255 62.032 990 3HG2 VAL 126 2HG2 VAL 126 65.871 54.299 61.389 991 H CYS 127 H CYS 127 62.613 54.459 62.722 992 HA CYS 127 HA CYS 127 62.508 52.155 60.797 993 1HB CYS 127 2HB CYS 127 60.492 53.091 62.219 994 2HB CYS 127 1HB CYS 127 60.600 54.530 61.149 995 HG CYS 127 HG CYS 127 60.680 52.645 58.909 996 H ARG 128 H ARG 128 63.408 52.195 58.957 997 HA ARG 128 HA ARG 128 63.968 54.991 57.851 998 1HB ARG 128 2HB ARG 128 66.040 53.915 57.925 999 2HB ARG 128 1HB ARG 128 65.302 52.247 57.607 1000 1HG ARG 128 2HG ARG 128 65.085 52.591 55.288 1001 2HG ARG 128 1HG ARG 128 65.185 54.363 55.428 1002 1HD ARG 128 2HD ARG 128 67.430 53.950 54.819 1003 2HD ARG 128 1HD ARG 128 67.557 53.444 56.585 1004 HE ARG 128 HE ARG 128 66.753 51.446 54.492 1005 1HH1 ARG 128 2HH1 ARG 128 69.222 52.484 56.910 1006 2HH1 ARG 128 1HH1 ARG 128 70.038 50.963 56.869 1007 1HH2 ARG 128 1HH2 ARG 128 67.826 49.498 54.467 1008 2HH2 ARG 128 2HH2 ARG 128 69.248 49.294 55.462 1009 H GLN 129 H GLN 129 62.433 55.708 56.459 1010 HA GLN 129 HA GLN 129 61.365 53.446 54.689 1011 1HB GLN 129 2HB GLN 129 60.168 56.189 55.290 1012 2HB GLN 129 1HB GLN 129 59.395 54.713 54.466 1013 1HG GLN 129 2HG GLN 129 60.058 53.420 56.615 1014 2HG GLN 129 1HG GLN 129 60.062 55.102 57.392 1015 1HE2 GLN 129 1HE2 GLN 129 56.440 55.392 56.206 1016 2HE2 GLN 129 2HE2 GLN 129 57.942 56.229 55.844 1017 H VAL 130 H VAL 130 60.695 53.989 52.540 1018 HA VAL 130 HA VAL 130 62.508 56.126 51.412 1019 HB VAL 130 HB VAL 130 61.804 53.709 49.639 1020 1HG1 VAL 130 3HG1 VAL 130 63.729 55.974 49.742 1021 2HG1 VAL 130 2HG1 VAL 130 64.607 54.400 49.542 1022 3HG1 VAL 130 1HG1 VAL 130 63.288 54.891 48.372 1023 1HG2 VAL 130 3HG2 VAL 130 62.835 52.795 51.980 1024 2HG2 VAL 130 2HG2 VAL 130 63.460 52.241 50.399 1025 3HG2 VAL 130 1HG2 VAL 130 64.349 53.565 51.229 1026 H PHE 131 H PHE 131 61.880 56.883 49.459 1027 HA PHE 131 HA PHE 131 58.873 56.666 48.958 1028 1HB PHE 131 2HB PHE 131 60.602 59.009 49.746 1029 2HB PHE 131 1HB PHE 131 59.067 59.288 48.766 1030 HD1 PHE 131 HD1 PHE 131 56.972 58.274 49.649 1031 HD2 PHE 131 HD2 PHE 131 60.529 58.478 52.064 1032 HE1 PHE 131 HE1 PHE 131 55.603 57.844 51.783 1033 HE2 PHE 131 HE2 PHE 131 59.197 58.068 54.035 1034 HZ PHE 131 HZ PHE 131 56.739 57.748 53.912 1035 H LYS 132 H LYS 132 58.080 58.059 47.335 1036 HA LYS 132 HA LYS 132 59.714 58.577 44.960 1037 1HB LYS 132 2HB LYS 132 59.341 56.133 44.694 1038 2HB LYS 132 1HB LYS 132 57.723 56.274 45.492 1039 1HG LYS 132 2HG LYS 132 57.784 55.818 42.946 1040 2HG LYS 132 1HG LYS 132 56.642 57.135 43.410 1041 1HD LYS 132 2HD LYS 132 57.915 57.787 41.523 1042 2HD LYS 132 1HD LYS 132 58.420 58.853 42.947 1043 1HE LYS 132 2HE LYS 132 60.584 58.096 42.856 1044 2HE LYS 132 1HE LYS 132 60.092 56.386 42.597 1045 1HZ LYS 132 3HZ LYS 132 59.395 57.647 40.232 1046 2HZ LYS 132 2HZ LYS 132 60.761 58.491 40.704 1047 3HZ LYS 132 1HZ LYS 132 60.845 56.851 40.488 1048 H LYS 133 H LYS 133 58.865 60.540 45.202 1049 HA LYS 133 HA LYS 133 56.452 61.625 46.066 1050 1HB LYS 133 2HB LYS 133 57.179 63.534 45.029 1051 2HB LYS 133 1HB LYS 133 58.596 62.471 44.668 1052 1HG LYS 133 2HG LYS 133 57.569 61.899 42.479 1053 2HG LYS 133 1HG LYS 133 56.076 62.870 42.875 1054 1HD LYS 133 2HD LYS 133 57.405 64.940 42.891 1055 2HD LYS 133 1HD LYS 133 58.934 63.945 42.688 1056 1HE LYS 133 2HE LYS 133 57.828 63.002 40.549 1057 2HE LYS 133 1HE LYS 133 56.693 64.495 40.733 1058 1HZ LYS 133 2HZ LYS 133 59.627 64.791 40.736 1059 2HZ LYS 133 1HZ LYS 133 58.775 64.673 39.304 1060 3HZ LYS 133 3HZ LYS 133 58.407 65.891 40.367 1061 H LYS 134 H LYS 134 56.743 60.155 42.925 1062 HA LYS 134 HA LYS 134 53.908 59.466 43.134 1063 1HB LYS 134 2HB LYS 134 53.625 61.994 42.832 1064 2HB LYS 134 1HB LYS 134 54.803 61.963 41.483 1065 1HG LYS 134 2HG LYS 134 53.088 60.393 40.353 1066 2HG LYS 134 1HG LYS 134 51.856 60.922 41.604 1067 1HD LYS 134 2HD LYS 134 53.479 62.638 39.690 1068 2HD LYS 134 1HD LYS 134 51.652 62.519 39.774 1069 1HE LYS 134 2HE LYS 134 51.822 63.417 42.176 1070 2HE LYS 134 1HE LYS 134 53.586 63.754 41.880 1071 1HZ LYS 134 1HZ LYS 134 52.861 65.046 39.936 1072 2HZ LYS 134 3HZ LYS 134 51.299 65.042 40.500 1073 3HZ LYS 134 2HZ LYS 134 52.472 65.711 41.457 No H/Q in entry = 1073 Start of MODEL 13 1 1H MET 1 2H MET 1 64.218 74.769 44.984 2 2H MET 1 1H MET 1 63.484 73.484 44.252 3 3H MET 1 3H MET 1 63.210 74.995 43.658 4 HA MET 1 HA MET 1 61.882 75.721 45.434 5 1HB MET 1 2HB MET 1 61.424 72.748 44.769 6 2HB MET 1 1HB MET 1 60.292 73.719 45.824 7 1HG MET 1 2HG MET 1 60.024 75.441 44.021 8 2HG MET 1 1HG MET 1 61.000 74.521 42.908 9 1HE MET 1 2HE MET 1 58.300 74.446 45.511 10 2HE MET 1 1HE MET 1 57.054 74.725 44.262 11 3HE MET 1 3HE MET 1 57.262 73.129 45.159 12 H THR 2 H THR 2 61.509 75.841 47.578 13 HA THR 2 HA THR 2 63.407 74.242 49.290 14 HB THR 2 HB THR 2 61.455 76.046 50.648 15 HG1 THR 2 1HG THR 2 63.431 77.390 49.299 16 1HG2 THR 2 3HG2 THR 2 64.172 74.933 51.032 17 2HG2 THR 2 2HG2 THR 2 64.448 76.697 50.833 18 3HG2 THR 2 1HG2 THR 2 63.430 76.106 52.127 19 H LYS 3 H LYS 3 61.981 74.286 51.700 20 HA LYS 3 HA LYS 3 60.626 71.767 51.558 21 1HB LYS 3 2HB LYS 3 59.456 72.471 53.672 22 2HB LYS 3 1HB LYS 3 61.272 72.740 53.771 23 1HG LYS 3 2HG LYS 3 59.935 75.034 52.521 24 2HG LYS 3 1HG LYS 3 59.115 74.642 54.075 25 1HD LYS 3 2HD LYS 3 61.654 74.398 55.025 26 2HD LYS 3 1HD LYS 3 62.120 75.156 53.476 27 1HE LYS 3 2HE LYS 3 61.164 77.211 53.984 28 2HE LYS 3 1HE LYS 3 60.019 76.425 55.238 29 1HZ LYS 3 2HZ LYS 3 62.977 76.394 55.584 30 2HZ LYS 3 1HZ LYS 3 62.159 77.705 56.098 31 3HZ LYS 3 3HZ LYS 3 61.761 76.293 56.784 32 H ASP 4 H ASP 4 59.350 74.879 50.420 33 HA ASP 4 HA ASP 4 56.612 74.133 50.849 34 1HB ASP 4 2HB ASP 4 57.817 75.854 48.484 35 2HB ASP 4 1HB ASP 4 56.069 75.579 48.864 36 H GLN 5 H GLN 5 55.993 72.118 50.339 37 HA GLN 5 HA GLN 5 56.328 71.324 47.514 38 1HB GLN 5 2HB GLN 5 57.135 69.074 48.251 39 2HB GLN 5 1HB GLN 5 58.176 70.228 49.275 40 1HG GLN 5 2HG GLN 5 55.970 70.085 50.808 41 2HG GLN 5 1HG GLN 5 55.946 68.390 50.067 42 1HE2 GLN 5 2HE2 GLN 5 59.158 67.501 51.432 43 2HE2 GLN 5 1HE2 GLN 5 58.230 67.357 49.938 44 H ASN 6 H ASN 6 55.253 69.157 47.460 45 HA ASN 6 HA ASN 6 52.859 68.662 48.946 46 1HB ASN 6 2HB ASN 6 52.438 70.990 47.466 47 2HB ASN 6 1HB ASN 6 51.937 69.708 46.212 48 1HD2 ASN 6 1HD2 ASN 6 49.770 70.318 49.548 49 2HD2 ASN 6 2HD2 ASN 6 51.504 71.062 49.339 50 H GLY 7 H GLY 7 51.744 66.852 48.234 51 1HA GLY 7 1HA GLY 7 51.945 65.728 45.604 52 2HA GLY 7 2HA GLY 7 53.221 65.044 46.707 53 H THR 8 H THR 8 52.421 63.186 46.397 54 HA THR 8 HA THR 8 50.614 62.153 48.326 55 HB THR 8 HB THR 8 48.801 62.773 46.735 56 HG1 THR 8 1HG THR 8 48.476 60.819 47.551 57 1HG2 THR 8 2HG2 THR 8 50.777 61.390 44.709 58 2HG2 THR 8 1HG2 THR 8 49.015 61.461 44.360 59 3HG2 THR 8 3HG2 THR 8 49.999 62.992 44.589 60 H TRP 9 H TRP 9 53.054 62.084 47.873 61 HA TRP 9 HA TRP 9 54.532 60.295 46.343 62 1HB TRP 9 2HB TRP 9 55.024 59.877 49.239 63 2HB TRP 9 1HB TRP 9 56.208 60.018 47.897 64 HD1 TRP 9 HD1 TRP 9 53.742 62.253 49.901 65 HE1 TRP 9 HE1 TRP 9 54.587 64.634 50.232 66 HE3 TRP 9 HE3 TRP 9 57.730 61.640 47.257 67 HZ2 TRP 9 HZ2 TRP 9 56.789 65.970 49.343 68 HZ3 TRP 9 HZ3 TRP 9 59.332 63.603 46.942 69 HH2 TRP 9 HH2 TRP 9 58.828 65.702 47.978 70 H GLU 10 H GLU 10 54.761 58.167 45.945 71 HA GLU 10 HA GLU 10 52.678 56.445 47.282 72 1HB GLU 10 2HB GLU 10 54.474 56.022 44.793 73 2HB GLU 10 1HB GLU 10 53.264 54.853 45.443 74 1HG GLU 10 2HG GLU 10 51.614 57.084 45.228 75 2HG GLU 10 1HG GLU 10 52.922 57.477 43.958 76 H MET 11 H MET 11 54.629 56.992 48.839 77 HA MET 11 HA MET 11 56.961 56.186 49.627 78 1HB MET 11 2HB MET 11 54.857 56.263 51.117 79 2HB MET 11 1HB MET 11 54.558 54.521 50.666 80 1HG MET 11 2HG MET 11 57.052 54.156 51.692 81 2HG MET 11 1HG MET 11 56.864 55.831 52.176 82 1HE MET 11 3HE MET 11 55.226 52.229 52.239 83 2HE MET 11 2HE MET 11 56.582 52.251 53.359 84 3HE MET 11 1HE MET 11 54.862 51.992 53.957 85 H GLU 12 H GLU 12 57.376 55.289 47.497 86 HA GLU 12 HA GLU 12 57.198 53.219 46.050 87 1HB GLU 12 2HB GLU 12 59.307 54.822 46.247 88 2HB GLU 12 1HB GLU 12 59.925 53.489 47.341 89 1HG GLU 12 2HG GLU 12 59.824 51.886 45.655 90 2HG GLU 12 1HG GLU 12 58.653 52.911 44.615 91 H SER 13 H SER 13 58.534 53.008 49.236 92 HA SER 13 HA SER 13 57.498 50.348 49.785 93 1HB SER 13 2HB SER 13 59.183 49.155 48.619 94 2HB SER 13 1HB SER 13 60.406 50.572 48.774 95 HG SER 13 HG SER 13 59.594 48.630 50.601 96 H ASN 14 H ASN 14 58.170 49.471 51.567 97 HA ASN 14 HA ASN 14 59.181 51.391 53.666 98 1HB ASN 14 2HB ASN 14 57.387 50.597 55.136 99 2HB ASN 14 1HB ASN 14 56.584 50.333 53.490 100 1HD2 ASN 14 1HD2 ASN 14 57.964 47.264 55.865 101 2HD2 ASN 14 2HD2 ASN 14 58.060 49.131 56.261 102 H GLU 15 H GLU 15 60.057 50.651 55.505 103 HA GLU 15 HA GLU 15 61.559 48.067 54.929 104 1HB GLU 15 2HB GLU 15 62.931 50.172 54.713 105 2HB GLU 15 1HB GLU 15 62.574 50.603 56.429 106 1HG GLU 15 2HG GLU 15 64.763 49.413 56.118 107 2HG GLU 15 1HG GLU 15 63.626 48.540 57.307 108 H ASN 16 H ASN 16 60.717 50.280 57.577 109 HA ASN 16 HA ASN 16 60.196 47.922 59.378 110 1HB ASN 16 2HB ASN 16 62.156 49.723 59.881 111 2HB ASN 16 1HB ASN 16 60.698 50.771 60.410 112 1HD2 ASN 16 2HD2 ASN 16 61.868 49.081 63.439 113 2HD2 ASN 16 1HD2 ASN 16 62.535 50.349 62.234 114 H PHE 17 H PHE 17 58.237 47.578 59.557 115 HA PHE 17 HA PHE 17 56.308 49.891 59.473 116 1HB PHE 17 2HB PHE 17 56.120 48.178 57.662 117 2HB PHE 17 1HB PHE 17 56.204 46.847 58.877 118 HD1 PHE 17 HD2 PHE 17 54.277 46.549 60.383 119 HD2 PHE 17 HD1 PHE 17 54.055 49.227 57.150 120 HE1 PHE 17 HE2 PHE 17 51.852 46.493 60.654 121 HE2 PHE 17 HE1 PHE 17 51.562 49.218 57.323 122 HZ PHE 17 HZ PHE 17 50.432 47.834 59.102 123 H GLU 18 H GLU 18 56.916 46.637 60.758 124 HA GLU 18 HA GLU 18 54.864 46.894 62.873 125 1HB GLU 18 2HB GLU 18 55.503 44.615 61.993 126 2HB GLU 18 1HB GLU 18 57.251 45.092 62.112 127 1HG GLU 18 2HG GLU 18 56.556 43.406 63.795 128 2HG GLU 18 1HG GLU 18 57.141 44.995 64.627 129 H GLY 19 H GLY 19 58.436 46.858 62.884 130 1HA GLY 19 1HA GLY 19 58.669 47.005 65.707 131 2HA GLY 19 2HA GLY 19 59.916 47.707 64.586 132 H TYR 20 H TYR 20 57.562 49.401 63.470 133 HA TYR 20 HA TYR 20 58.175 51.709 65.209 134 1HB TYR 20 2HB TYR 20 57.679 52.394 63.033 135 2HB TYR 20 1HB TYR 20 56.476 51.050 62.776 136 HD1 TYR 20 HD2 TYR 20 56.715 53.722 65.414 137 HD2 TYR 20 HD1 TYR 20 54.509 52.042 62.141 138 HE1 TYR 20 HE2 TYR 20 54.955 55.285 65.864 139 HE2 TYR 20 HE1 TYR 20 52.649 53.654 62.564 140 HH TYR 20 HH TYR 20 52.440 55.560 65.408 141 H MET 21 H MET 21 55.419 49.634 64.575 142 HA MET 21 HA MET 21 53.698 50.680 66.678 143 1HB MET 21 2HB MET 21 53.901 48.394 64.621 144 2HB MET 21 1HB MET 21 53.009 47.989 66.110 145 1HG MET 21 2HG MET 21 51.226 49.400 65.537 146 2HG MET 21 1HG MET 21 52.244 50.661 64.818 147 1HE MET 21 1HE MET 21 52.062 51.201 62.802 148 2HE MET 21 3HE MET 21 53.037 50.175 61.678 149 3HE MET 21 2HE MET 21 51.357 50.316 61.372 150 H LYS 22 H LYS 22 56.013 48.253 66.366 151 HA LYS 22 HA LYS 22 55.524 46.875 68.889 152 1HB LYS 22 2HB LYS 22 56.976 46.267 66.407 153 2HB LYS 22 1HB LYS 22 58.251 46.536 67.632 154 1HG LYS 22 2HG LYS 22 56.329 45.108 69.025 155 2HG LYS 22 1HG LYS 22 56.286 44.334 67.362 156 1HD LYS 22 2HD LYS 22 58.707 44.829 69.204 157 2HD LYS 22 1HD LYS 22 58.122 43.189 68.666 158 1HE LYS 22 2HE LYS 22 58.426 44.317 66.210 159 2HE LYS 22 1HE LYS 22 59.682 45.273 67.066 160 1HZ LYS 22 3HZ LYS 22 60.575 43.122 67.905 161 2HZ LYS 22 2HZ LYS 22 59.592 42.271 66.932 162 3HZ LYS 22 1HZ LYS 22 60.708 43.315 66.236 163 H ALA 23 H ALA 23 57.286 49.531 67.897 164 HA ALA 23 HA ALA 23 59.173 49.352 70.217 165 1HB ALA 23 2HB ALA 23 58.512 51.697 68.275 166 2HB ALA 23 1HB ALA 23 59.812 51.675 69.550 167 3HB ALA 23 3HB ALA 23 59.912 50.536 68.118 168 H LEU 24 H LEU 24 56.150 50.676 69.337 169 HA LEU 24 HA LEU 24 55.847 52.418 71.703 170 1HB LEU 24 2HB LEU 24 53.418 50.949 70.513 171 2HB LEU 24 1HB LEU 24 53.598 52.662 71.066 172 HG LEU 24 HG LEU 24 54.560 51.375 68.357 173 1HD1 LEU 24 1HD1 LEU 24 52.122 52.006 68.692 174 2HD1 LEU 24 3HD1 LEU 24 52.699 53.758 68.661 175 3HD1 LEU 24 2HD1 LEU 24 52.919 52.653 67.254 176 1HD2 LEU 24 3HD2 LEU 24 56.245 53.024 69.276 177 2HD2 LEU 24 2HD2 LEU 24 55.420 53.625 67.776 178 3HD2 LEU 24 1HD2 LEU 24 54.932 54.273 69.400 179 H ASP 25 H ASP 25 55.603 49.200 70.703 180 HA ASP 25 HA ASP 25 55.190 47.128 71.702 181 1HB ASP 25 2HB ASP 25 56.799 47.952 73.481 182 2HB ASP 25 1HB ASP 25 55.393 48.844 74.273 183 H ILE 26 H ILE 26 53.427 48.112 70.485 184 HA ILE 26 HA ILE 26 50.978 48.764 71.963 185 HB ILE 26 HB ILE 26 51.281 49.613 69.716 186 1HG1 ILE 26 2HG1 ILE 26 49.100 47.727 69.088 187 2HG1 ILE 26 1HG1 ILE 26 49.043 48.441 70.766 188 1HG2 ILE 26 2HG2 ILE 26 52.525 47.337 68.888 189 2HG2 ILE 26 1HG2 ILE 26 50.832 46.754 68.536 190 3HG2 ILE 26 3HG2 ILE 26 51.455 48.263 67.756 191 1HD1 ILE 26 2HD1 ILE 26 49.724 50.756 69.474 192 2HD1 ILE 26 1HD1 ILE 26 49.170 49.881 68.000 193 3HD1 ILE 26 3HD1 ILE 26 48.063 50.138 69.415 194 H ASP 27 H ASP 27 52.272 45.890 70.282 195 HA ASP 27 HA ASP 27 51.304 44.008 72.157 196 1HB ASP 27 2HB ASP 27 49.020 44.316 71.677 197 2HB ASP 27 1HB ASP 27 49.337 44.666 69.893 198 H PHE 28 H PHE 28 52.634 42.279 71.861 199 HA PHE 28 HA PHE 28 54.096 42.206 69.353 200 1HB PHE 28 2HB PHE 28 53.936 40.287 71.784 201 2HB PHE 28 1HB PHE 28 55.023 40.107 70.355 202 HD1 PHE 28 HD2 PHE 28 56.716 41.881 69.894 203 HD2 PHE 28 HD1 PHE 28 54.432 41.880 73.549 204 HE1 PHE 28 HE2 PHE 28 58.351 43.401 70.854 205 HE2 PHE 28 HE1 PHE 28 56.138 43.477 74.556 206 HZ PHE 28 HZ PHE 28 58.041 44.225 73.270 207 H ALA 29 H ALA 29 53.667 41.390 67.594 208 HA ALA 29 HA ALA 29 52.975 39.974 65.867 209 1HB ALA 29 2HB ALA 29 53.288 38.166 67.906 210 2HB ALA 29 1HB ALA 29 51.503 38.275 68.017 211 3HB ALA 29 3HB ALA 29 52.320 37.651 66.473 212 H THR 30 H THR 30 51.949 42.129 66.323 213 HA THR 30 HA THR 30 49.036 41.754 66.415 214 HB THR 30 HB THR 30 50.661 43.888 67.190 215 HG1 THR 30 1HG THR 30 48.849 44.305 68.081 216 1HG2 THR 30 2HG2 THR 30 48.788 44.724 64.827 217 2HG2 THR 30 1HG2 THR 30 49.679 45.828 65.906 218 3HG2 THR 30 3HG2 THR 30 50.645 44.765 64.817 219 H ARG 31 H ARG 31 51.461 43.004 64.247 220 HA ARG 31 HA ARG 31 49.619 43.238 61.968 221 1HB ARG 31 2HB ARG 31 51.656 43.811 60.550 222 2HB ARG 31 1HB ARG 31 51.312 44.822 61.969 223 1HG ARG 31 2HG ARG 31 53.816 43.807 61.331 224 2HG ARG 31 1HG ARG 31 53.252 44.443 62.955 225 1HD ARG 31 2HD ARG 31 53.191 42.248 63.861 226 2HD ARG 31 1HD ARG 31 52.950 41.399 62.245 227 HE ARG 31 HE ARG 31 55.349 42.726 62.075 228 1HH1 ARG 31 2HH2 ARG 31 53.731 40.232 64.000 229 2HH1 ARG 31 1HH2 ARG 31 55.168 39.292 64.339 230 1HH2 ARG 31 1HH1 ARG 31 57.375 41.487 62.499 231 2HH2 ARG 31 2HH1 ARG 31 57.238 40.002 63.473 232 H LYS 32 H LYS 32 52.023 41.991 60.183 233 HA LYS 32 HA LYS 32 52.611 39.848 59.581 234 1HB LYS 32 2HB LYS 32 51.637 39.021 61.844 235 2HB LYS 32 1HB LYS 32 50.134 38.729 60.867 236 1HG LYS 32 2HG LYS 32 51.196 36.630 60.434 237 2HG LYS 32 1HG LYS 32 52.134 37.577 59.216 238 1HD LYS 32 2HD LYS 32 54.052 37.421 60.306 239 2HD LYS 32 1HD LYS 32 53.341 38.119 61.800 240 1HE LYS 32 2HE LYS 32 53.007 36.142 62.836 241 2HE LYS 32 1HE LYS 32 52.482 35.272 61.345 242 1HZ LYS 32 1HZ LYS 32 55.306 36.023 62.025 243 2HZ LYS 32 3HZ LYS 32 54.617 34.531 62.149 244 3HZ LYS 32 2HZ LYS 32 54.813 35.248 60.632 245 H ILE 33 H ILE 33 49.269 41.014 59.760 246 HA ILE 33 HA ILE 33 48.966 40.105 56.943 247 HB ILE 33 HB ILE 33 46.538 41.033 58.467 248 1HG1 ILE 33 2HG1 ILE 33 46.343 38.554 59.365 249 2HG1 ILE 33 1HG1 ILE 33 48.191 38.587 59.267 250 1HG2 ILE 33 1HG2 ILE 33 46.820 39.862 56.112 251 2HG2 ILE 33 3HG2 ILE 33 46.971 38.279 57.023 252 3HG2 ILE 33 2HG2 ILE 33 45.488 39.283 57.199 253 1HD1 ILE 33 1HD1 ILE 33 47.521 41.122 60.489 254 2HD1 ILE 33 3HD1 ILE 33 46.228 40.004 61.073 255 3HD1 ILE 33 2HD1 ILE 33 48.017 39.596 61.335 256 H ALA 34 H ALA 34 49.849 42.718 58.643 257 HA ALA 34 HA ALA 34 48.136 44.583 57.005 258 1HB ALA 34 3HB ALA 34 48.644 44.715 59.906 259 2HB ALA 34 2HB ALA 34 49.816 45.831 59.197 260 3HB ALA 34 1HB ALA 34 48.057 46.070 58.836 261 H VAL 35 H VAL 35 50.563 42.988 56.500 262 HA VAL 35 HA VAL 35 52.970 44.503 56.469 263 HB VAL 35 HB VAL 35 51.776 42.855 54.186 264 1HG1 VAL 35 2HG1 VAL 35 54.639 43.968 54.608 265 2HG1 VAL 35 1HG1 VAL 35 54.462 42.355 53.853 266 3HG1 VAL 35 3HG1 VAL 35 53.660 43.777 53.123 267 1HG2 VAL 35 2HG2 VAL 35 53.074 42.117 56.821 268 2HG2 VAL 35 1HG2 VAL 35 51.906 41.171 55.749 269 3HG2 VAL 35 3HG2 VAL 35 53.667 41.160 55.375 270 H ARG 36 H ARG 36 50.220 44.576 54.510 271 HA ARG 36 HA ARG 36 50.236 47.318 53.684 272 1HB ARG 36 2HB ARG 36 52.403 46.627 52.348 273 2HB ARG 36 1HB ARG 36 51.322 45.458 51.484 274 1HG ARG 36 2HG ARG 36 50.865 47.102 50.036 275 2HG ARG 36 1HG ARG 36 49.926 47.888 51.442 276 1HD ARG 36 2HD ARG 36 51.556 49.514 50.597 277 2HD ARG 36 1HD ARG 36 52.047 48.964 52.222 278 HE ARG 36 HE ARG 36 53.099 47.708 49.669 279 1HH1 ARG 36 2HH2 ARG 36 53.818 49.057 52.926 280 2HH1 ARG 36 1HH2 ARG 36 55.544 48.643 52.761 281 1HH2 ARG 36 1HH1 ARG 36 55.201 47.212 49.551 282 2HH2 ARG 36 2HH1 ARG 36 56.347 47.572 50.843 283 H LEU 37 H LEU 37 48.428 47.839 53.130 284 HA LEU 37 HA LEU 37 46.780 45.609 51.974 285 1HB LEU 37 2HB LEU 37 45.661 48.443 52.546 286 2HB LEU 37 1HB LEU 37 44.826 46.802 52.697 287 HG LEU 37 HG LEU 37 46.560 48.216 54.645 288 1HD1 LEU 37 2HD1 LEU 37 44.002 46.608 54.459 289 2HD1 LEU 37 1HD1 LEU 37 44.613 47.072 56.121 290 3HD1 LEU 37 3HD1 LEU 37 44.221 48.359 54.927 291 1HD2 LEU 37 3HD2 LEU 37 46.327 45.216 54.006 292 2HD2 LEU 37 2HD2 LEU 37 47.772 46.055 54.801 293 3HD2 LEU 37 1HD2 LEU 37 46.280 45.624 55.760 294 H THR 38 H THR 38 47.699 48.945 51.774 295 HA THR 38 HA THR 38 48.307 49.027 48.939 296 HB THR 38 HB THR 38 45.657 49.833 50.079 297 HG1 THR 38 1HG THR 38 45.070 49.059 47.940 298 1HG2 THR 38 3HG2 THR 38 47.312 51.380 48.108 299 2HG2 THR 38 2HG2 THR 38 45.716 50.959 47.346 300 3HG2 THR 38 1HG2 THR 38 45.742 51.866 48.909 301 H GLN 39 H GLN 39 49.621 50.962 48.475 302 HA GLN 39 HA GLN 39 49.619 52.796 50.850 303 1HB GLN 39 2HB GLN 39 51.542 51.561 51.205 304 2HB GLN 39 1HB GLN 39 51.802 51.323 49.381 305 1HG GLN 39 2HG GLN 39 51.984 54.117 50.641 306 2HG GLN 39 1HG GLN 39 53.403 52.989 50.772 307 1HE2 GLN 39 2HE2 GLN 39 54.219 52.535 47.508 308 2HE2 GLN 39 1HE2 GLN 39 54.137 51.851 49.154 309 H THR 40 H THR 40 50.180 54.652 50.674 310 HA THR 40 HA THR 40 51.070 56.346 48.670 311 HB THR 40 HB THR 40 47.998 56.440 48.904 312 HG1 THR 40 1HG THR 40 48.003 55.794 46.893 313 1HG2 THR 40 2HG2 THR 40 50.232 58.363 47.947 314 2HG2 THR 40 1HG2 THR 40 48.633 58.376 47.056 315 3HG2 THR 40 3HG2 THR 40 48.714 58.774 48.805 316 H LYS 41 H LYS 41 52.092 57.634 49.819 317 HA LYS 41 HA LYS 41 50.784 58.557 52.404 318 1HB LYS 41 2HB LYS 41 53.128 57.752 52.667 319 2HB LYS 41 1HB LYS 41 53.615 58.700 51.163 320 1HG LYS 41 2HG LYS 41 52.430 60.254 53.448 321 2HG LYS 41 1HG LYS 41 54.064 59.489 53.750 322 1HD LYS 41 2HD LYS 41 54.535 60.532 51.276 323 2HD LYS 41 1HD LYS 41 53.057 61.483 51.627 324 1HE LYS 41 2HE LYS 41 55.711 61.457 53.157 325 2HE LYS 41 1HE LYS 41 54.945 62.863 52.260 326 1HZ LYS 41 2HZ LYS 41 53.117 62.189 54.162 327 2HZ LYS 41 1HZ LYS 41 54.536 61.802 54.985 328 3HZ LYS 41 3HZ LYS 41 54.297 63.318 54.394 329 H ILE 42 H ILE 42 50.595 60.772 52.851 330 HA ILE 42 HA ILE 42 51.051 62.532 50.410 331 HB ILE 42 HB ILE 42 48.377 62.520 52.037 332 1HG1 ILE 42 2HG1 ILE 42 47.715 62.039 49.526 333 2HG1 ILE 42 1HG1 ILE 42 49.353 61.192 49.482 334 1HG2 ILE 42 1HG2 ILE 42 49.392 64.062 49.629 335 2HG2 ILE 42 3HG2 ILE 42 47.668 63.975 50.011 336 3HG2 ILE 42 2HG2 ILE 42 48.827 64.720 51.211 337 1HD1 ILE 42 1HD1 ILE 42 47.602 60.629 51.911 338 2HD1 ILE 42 3HD1 ILE 42 47.011 59.874 50.412 339 3HD1 ILE 42 2HD1 ILE 42 48.713 59.538 51.045 340 H ILE 43 H ILE 43 50.968 64.600 50.657 341 HA ILE 43 HA ILE 43 51.623 65.618 53.460 342 HB ILE 43 HB ILE 43 53.410 64.780 51.776 343 1HG1 ILE 43 2HG1 ILE 43 53.629 67.462 53.254 344 2HG1 ILE 43 1HG1 ILE 43 53.989 65.743 53.861 345 1HG2 ILE 43 1HG2 ILE 43 52.610 66.335 49.901 346 2HG2 ILE 43 3HG2 ILE 43 53.170 67.769 50.962 347 3HG2 ILE 43 2HG2 ILE 43 54.357 66.579 50.275 348 1HD1 ILE 43 1HD1 ILE 43 55.640 65.721 51.800 349 2HD1 ILE 43 3HD1 ILE 43 55.517 67.533 51.868 350 3HD1 ILE 43 2HD1 ILE 43 56.155 66.709 53.284 351 H VAL 44 H VAL 44 50.436 67.233 53.913 352 HA VAL 44 HA VAL 44 49.427 69.006 51.565 353 HB VAL 44 HB VAL 44 48.112 68.584 54.249 354 1HG1 VAL 44 2HG1 VAL 44 47.888 70.406 52.026 355 2HG1 VAL 44 1HG1 VAL 44 46.233 69.641 52.327 356 3HG1 VAL 44 3HG1 VAL 44 47.155 70.524 53.645 357 1HG2 VAL 44 3HG2 VAL 44 47.891 66.527 52.484 358 2HG2 VAL 44 2HG2 VAL 44 46.388 67.171 53.243 359 3HG2 VAL 44 1HG2 VAL 44 46.808 67.691 51.558 360 H GLN 45 H GLN 45 50.788 70.604 51.630 361 HA GLN 45 HA GLN 45 50.896 72.103 54.233 362 1HB GLN 45 2HB GLN 45 52.923 71.349 52.134 363 2HB GLN 45 1HB GLN 45 53.111 72.925 53.084 364 1HG GLN 45 2HG GLN 45 52.556 71.374 55.135 365 2HG GLN 45 1HG GLN 45 53.184 70.022 53.974 366 1HE2 GLN 45 1HE2 GLN 45 56.381 71.602 53.634 367 2HE2 GLN 45 2HE2 GLN 45 54.873 70.963 52.658 368 H ASP 46 H ASP 46 49.124 73.184 53.865 369 HA ASP 46 HA ASP 46 49.120 74.745 51.373 370 1HB ASP 46 2HB ASP 46 47.083 73.832 52.524 371 2HB ASP 46 1HB ASP 46 47.241 75.104 53.862 372 H GLY 47 H GLY 47 50.675 75.015 54.194 373 1HA GLY 47 1HA GLY 47 52.080 77.352 53.621 374 2HA GLY 47 2HA GLY 47 50.709 77.942 54.687 375 H ASP 48 H ASP 48 50.829 77.751 56.633 376 HA ASP 48 HA ASP 48 53.345 76.584 57.811 377 1HB ASP 48 2HB ASP 48 51.241 78.492 59.054 378 2HB ASP 48 1HB ASP 48 52.981 78.098 59.694 379 H ASN 49 H ASN 49 50.354 75.745 57.257 380 HA ASN 49 HA ASN 49 49.973 73.875 59.562 381 1HB ASN 49 2HB ASN 49 47.532 73.776 58.345 382 2HB ASN 49 1HB ASN 49 47.893 75.141 59.526 383 1HD2 ASN 49 1HD2 ASN 49 47.007 77.385 57.057 384 2HD2 ASN 49 2HD2 ASN 49 46.777 76.621 58.771 385 H PHE 50 H PHE 50 51.276 72.348 58.877 386 HA PHE 50 HA PHE 50 50.966 71.047 56.241 387 1HB PHE 50 2HB PHE 50 53.269 71.544 56.943 388 2HB PHE 50 1HB PHE 50 52.957 70.883 58.586 389 HD1 PHE 50 HD1 PHE 50 51.774 69.377 55.333 390 HD2 PHE 50 HD2 PHE 50 54.438 69.177 58.711 391 HE1 PHE 50 HE1 PHE 50 52.410 67.077 54.674 392 HE2 PHE 50 HE2 PHE 50 55.107 66.869 58.071 393 HZ PHE 50 HZ PHE 50 54.105 65.882 56.102 394 H LYS 51 H LYS 51 49.278 69.604 56.238 395 HA LYS 51 HA LYS 51 49.382 67.776 58.591 396 1HB LYS 51 2HB LYS 51 46.810 68.093 57.039 397 2HB LYS 51 1HB LYS 51 47.094 67.632 58.771 398 1HG LYS 51 2HG LYS 51 46.632 69.814 59.332 399 2HG LYS 51 1HG LYS 51 48.147 70.331 58.507 400 1HD LYS 51 2HD LYS 51 46.872 70.348 56.340 401 2HD LYS 51 1HD LYS 51 45.412 69.750 57.253 402 1HE LYS 51 2HE LYS 51 46.343 72.001 58.733 403 2HE LYS 51 1HE LYS 51 46.528 72.509 56.980 404 1HZ LYS 51 2HZ LYS 51 44.045 71.225 58.056 405 2HZ LYS 51 1HZ LYS 51 44.270 72.847 58.272 406 3HZ LYS 51 3HZ LYS 51 44.197 72.215 56.718 407 H THR 52 H THR 52 50.924 66.566 57.272 408 HA THR 52 HA THR 52 50.286 65.164 54.862 409 HB THR 52 HB THR 52 52.249 64.967 57.157 410 HG1 THR 52 1HG THR 52 52.134 63.980 54.558 411 1HG2 THR 52 2HG2 THR 52 50.926 62.672 57.574 412 2HG2 THR 52 1HG2 THR 52 51.456 62.241 55.888 413 3HG2 THR 52 3HG2 THR 52 52.666 62.607 57.186 414 H LYS 53 H LYS 53 49.880 62.860 54.599 415 HA LYS 53 HA LYS 53 48.391 61.570 56.742 416 1HB LYS 53 2HB LYS 53 46.276 62.529 56.421 417 2HB LYS 53 1HB LYS 53 47.020 63.633 55.203 418 1HG LYS 53 2HG LYS 53 46.686 61.538 53.555 419 2HG LYS 53 1HG LYS 53 45.381 61.120 54.743 420 1HD LYS 53 2HD LYS 53 44.086 62.713 54.031 421 2HD LYS 53 1HD LYS 53 45.433 63.967 54.115 422 1HE LYS 53 2HE LYS 53 44.633 63.636 51.618 423 2HE LYS 53 1HE LYS 53 46.366 63.176 51.983 424 1HZ LYS 53 3HZ LYS 53 44.921 60.924 52.467 425 2HZ LYS 53 2HZ LYS 53 44.026 61.576 51.221 426 3HZ LYS 53 1HZ LYS 53 45.641 61.300 51.009 427 H THR 54 H THR 54 47.680 59.560 56.118 428 HA THR 54 HA THR 54 48.813 58.686 53.478 429 HB THR 54 HB THR 54 49.738 57.842 55.802 430 HG1 THR 54 1HG THR 54 49.105 55.894 53.868 431 1HG2 THR 54 2HG2 THR 54 47.050 56.893 56.012 432 2HG2 THR 54 1HG2 THR 54 47.979 55.419 55.552 433 3HG2 THR 54 3HG2 THR 54 48.371 56.352 57.044 434 H ASN 55 H ASN 55 47.657 57.079 52.227 435 HA ASN 55 HA ASN 55 44.711 57.383 52.838 436 1HB ASN 55 2HB ASN 55 45.605 58.480 50.810 437 2HB ASN 55 1HB ASN 55 45.969 56.776 50.108 438 1HD2 ASN 55 1HD2 ASN 55 42.190 58.461 50.566 439 2HD2 ASN 55 2HD2 ASN 55 43.726 59.110 51.422 440 H SER 56 H SER 56 46.806 55.313 53.574 441 HA SER 56 HA SER 56 46.170 52.679 52.590 442 1HB SER 56 2HB SER 56 46.747 53.545 55.496 443 2HB SER 56 1HB SER 56 46.705 51.793 54.760 444 HG SER 56 HG SER 56 48.461 52.097 53.847 445 H THR 57 H THR 57 44.826 51.147 53.157 446 HA THR 57 HA THR 57 42.079 52.248 53.567 447 HB THR 57 HB THR 57 42.446 50.750 51.663 448 HG1 THR 57 1HG THR 57 40.469 50.140 51.885 449 1HG2 THR 57 2HG2 THR 57 43.960 49.080 53.148 450 2HG2 THR 57 1HG2 THR 57 42.368 48.470 53.750 451 3HG2 THR 57 3HG2 THR 57 42.821 48.324 51.986 452 H PHE 58 H PHE 58 44.425 50.260 55.206 453 HA PHE 58 HA PHE 58 42.470 49.344 57.181 454 1HB PHE 58 2HB PHE 58 44.662 49.473 58.866 455 2HB PHE 58 1HB PHE 58 44.094 48.067 57.827 456 HD1 PHE 58 HD2 PHE 58 45.956 51.101 56.367 457 HD2 PHE 58 HD1 PHE 58 46.152 47.026 57.783 458 HE1 PHE 58 HE2 PHE 58 48.186 50.802 55.409 459 HE2 PHE 58 HE1 PHE 58 48.377 46.798 56.800 460 HZ PHE 58 HZ PHE 58 49.422 48.679 55.601 461 H ARG 59 H ARG 59 44.434 52.105 56.849 462 HA ARG 59 HA ARG 59 42.627 53.969 58.218 463 1HB ARG 59 2HB ARG 59 43.960 54.265 60.410 464 2HB ARG 59 1HB ARG 59 42.850 52.826 60.327 465 1HG ARG 59 2HG ARG 59 44.967 51.440 59.551 466 2HG ARG 59 1HG ARG 59 45.852 52.891 60.188 467 1HD ARG 59 2HD ARG 59 45.723 51.563 62.117 468 2HD ARG 59 1HD ARG 59 44.286 52.601 62.301 469 HE ARG 59 HE ARG 59 43.701 50.128 60.793 470 1HH1 ARG 59 2HH1 ARG 59 43.917 51.796 63.976 471 2HH1 ARG 59 1HH1 ARG 59 42.776 50.771 64.815 472 1HH2 ARG 59 1HH2 ARG 59 42.161 48.736 61.905 473 2HH2 ARG 59 2HH2 ARG 59 41.802 49.027 63.558 474 H ASN 60 H ASN 60 43.326 55.776 58.889 475 HA ASN 60 HA ASN 60 45.907 56.715 57.594 476 1HB ASN 60 2HB ASN 60 43.489 58.467 58.252 477 2HB ASN 60 1HB ASN 60 44.721 58.635 56.883 478 1HD2 ASN 60 1HD2 ASN 60 43.146 55.777 55.157 479 2HD2 ASN 60 2HD2 ASN 60 44.725 56.101 55.936 480 H TYR 61 H TYR 61 47.333 57.483 58.893 481 HA TYR 61 HA TYR 61 46.555 58.006 61.745 482 1HB TYR 61 2HB TYR 61 48.338 56.258 61.101 483 2HB TYR 61 1HB TYR 61 49.342 57.614 60.451 484 HD1 TYR 61 HD2 TYR 61 47.604 56.513 63.613 485 HD2 TYR 61 HD1 TYR 61 50.846 58.712 61.820 486 HE1 TYR 61 HE2 TYR 61 48.565 56.902 65.872 487 HE2 TYR 61 HE1 TYR 61 51.816 59.116 64.003 488 HH TYR 61 HH TYR 61 50.397 59.107 66.585 489 H ASP 62 H ASP 62 46.189 59.646 59.418 490 HA ASP 62 HA ASP 62 47.404 61.669 58.417 491 1HB ASP 62 2HB ASP 62 45.087 62.188 60.356 492 2HB ASP 62 1HB ASP 62 45.661 63.194 58.861 493 H LEU 63 H LEU 63 49.079 62.679 58.694 494 HA LEU 63 HA LEU 63 49.928 63.681 61.343 495 1HB LEU 63 2HB LEU 63 51.499 63.258 59.292 496 2HB LEU 63 1HB LEU 63 50.668 64.729 58.526 497 HG LEU 63 HG LEU 63 52.029 64.954 61.281 498 1HD1 LEU 63 2HD1 LEU 63 53.326 64.277 58.688 499 2HD1 LEU 63 1HD1 LEU 63 54.089 65.565 59.725 500 3HD1 LEU 63 3HD1 LEU 63 53.828 63.891 60.366 501 1HD2 LEU 63 3HD2 LEU 63 50.768 66.573 59.218 502 2HD2 LEU 63 2HD2 LEU 63 51.604 67.202 60.691 503 3HD2 LEU 63 1HD2 LEU 63 52.583 66.940 59.187 504 H ASP 64 H ASP 64 49.044 65.449 62.478 505 HA ASP 64 HA ASP 64 48.001 67.587 60.582 506 1HB ASP 64 2HB ASP 64 45.883 67.518 61.901 507 2HB ASP 64 1HB ASP 64 46.263 65.835 61.092 508 H PHE 65 H PHE 65 49.868 68.632 61.202 509 HA PHE 65 HA PHE 65 49.336 70.224 63.728 510 1HB PHE 65 2HB PHE 65 51.720 70.063 64.418 511 2HB PHE 65 1HB PHE 65 50.867 68.475 64.423 512 HD1 PHE 65 HD1 PHE 65 52.893 70.598 61.995 513 HD2 PHE 65 HD2 PHE 65 51.846 66.737 63.664 514 HE1 PHE 65 HE1 PHE 65 54.577 69.586 60.568 515 HE2 PHE 65 HE2 PHE 65 53.598 65.701 62.195 516 HZ PHE 65 HZ PHE 65 54.944 67.073 60.672 517 H THR 66 H THR 66 50.697 71.962 63.892 518 HA THR 66 HA THR 66 51.313 73.308 61.242 519 HB THR 66 HB THR 66 49.630 73.980 63.647 520 HG1 THR 66 1HG THR 66 49.010 75.521 61.787 521 1HG2 THR 66 2HG2 THR 66 51.625 75.730 63.739 522 2HG2 THR 66 1HG2 THR 66 50.972 76.411 62.172 523 3HG2 THR 66 3HG2 THR 66 49.959 76.392 63.658 524 H VAL 67 H VAL 67 52.994 74.976 61.299 525 HA VAL 67 HA VAL 67 55.352 73.962 62.586 526 HB VAL 67 HB VAL 67 55.020 76.947 62.053 527 1HG1 VAL 67 3HG1 VAL 67 57.163 75.886 63.009 528 2HG1 VAL 67 2HG1 VAL 67 57.210 74.811 61.525 529 3HG1 VAL 67 1HG1 VAL 67 57.367 76.603 61.331 530 1HG2 VAL 67 2HG2 VAL 67 54.635 74.659 60.198 531 2HG2 VAL 67 1HG2 VAL 67 54.470 76.464 59.886 532 3HG2 VAL 67 3HG2 VAL 67 56.077 75.714 59.807 533 H GLY 68 H GLY 68 56.443 74.204 64.207 534 1HA GLY 68 1HA GLY 68 56.515 74.162 66.627 535 2HA GLY 68 2HA GLY 68 56.778 75.936 66.167 536 H VAL 69 H VAL 69 53.768 73.901 66.297 537 HA VAL 69 HA VAL 69 52.563 76.041 68.091 538 HB VAL 69 HB VAL 69 51.789 74.530 65.827 539 1HG1 VAL 69 3HG1 VAL 69 51.753 72.489 67.119 540 2HG1 VAL 69 2HG1 VAL 69 50.416 73.062 68.184 541 3HG1 VAL 69 1HG1 VAL 69 50.077 72.870 66.459 542 1HG2 VAL 69 1HG2 VAL 69 50.154 75.994 67.939 543 2HG2 VAL 69 3HG2 VAL 69 50.364 76.412 66.174 544 3HG2 VAL 69 2HG2 VAL 69 49.287 75.050 66.697 545 H GLU 70 H GLU 70 54.463 73.362 68.164 546 HA GLU 70 HA GLU 70 54.700 71.688 69.813 547 1HB GLU 70 2HB GLU 70 54.842 73.916 71.272 548 2HB GLU 70 1HB GLU 70 53.148 73.341 71.821 549 1HG GLU 70 2HG GLU 70 54.008 71.212 72.453 550 2HG GLU 70 1HG GLU 70 55.758 71.868 72.180 551 H PHE 71 H PHE 71 53.632 70.667 68.512 552 HA PHE 71 HA PHE 71 50.752 70.212 68.898 553 1HB PHE 71 2HB PHE 71 52.212 69.341 66.820 554 2HB PHE 71 1HB PHE 71 52.486 67.875 67.859 555 HD1 PHE 71 HD1 PHE 71 49.406 70.027 67.333 556 HD2 PHE 71 HD2 PHE 71 51.187 66.181 67.135 557 HE1 PHE 71 HE1 PHE 71 47.230 69.070 66.717 558 HE2 PHE 71 HE2 PHE 71 48.977 65.163 66.499 559 HZ PHE 71 HZ PHE 71 47.009 66.689 66.298 560 H ASP 72 H ASP 72 49.559 68.888 69.889 561 HA ASP 72 HA ASP 72 50.724 67.017 71.955 562 1HB ASP 72 2HB ASP 72 49.102 69.350 72.188 563 2HB ASP 72 1HB ASP 72 47.826 68.039 72.150 564 H GLU 73 H GLU 73 50.839 65.253 70.787 565 HA GLU 73 HA GLU 73 48.688 64.204 69.069 566 1HB GLU 73 2HB GLU 73 51.225 63.673 69.075 567 2HB GLU 73 1HB GLU 73 50.878 62.664 70.527 568 1HG GLU 73 2HG GLU 73 49.566 61.142 69.276 569 2HG GLU 73 1HG GLU 73 49.221 62.430 67.929 570 H HIS 74 H HIS 74 47.497 62.633 69.356 571 HA HIS 74 HA HIS 74 46.821 61.639 72.098 572 1HB HIS 74 2HB HIS 74 45.245 63.342 70.314 573 2HB HIS 74 1HB HIS 74 44.375 61.763 70.591 574 HD1 HIS 74 HD1 HIS 74 46.627 63.640 73.158 575 HD2 HIS 74 HD2 HIS 74 42.653 62.400 72.449 576 HE1 HIS 74 HE1 HIS 74 45.306 64.118 75.299 577 HE2 HIS 74 HE2 HIS 74 42.931 63.383 74.872 578 H THR 75 H THR 75 48.193 60.088 71.369 579 HA THR 75 HA THR 75 48.021 58.365 69.206 580 HB THR 75 HB THR 75 49.011 56.572 70.629 581 HG1 THR 75 1HG THR 75 48.908 58.485 72.677 582 1HG2 THR 75 1HG2 THR 75 49.887 59.450 70.303 583 2HG2 THR 75 3HG2 THR 75 50.818 58.607 71.655 584 3HG2 THR 75 2HG2 THR 75 50.894 57.960 69.981 585 H LYS 76 H LYS 76 47.084 57.140 72.333 586 HA LYS 76 HA LYS 76 45.827 55.036 72.641 587 1HB LYS 76 2HB LYS 76 43.375 56.028 72.878 588 2HB LYS 76 1HB LYS 76 44.755 56.516 73.940 589 1HG LYS 76 2HG LYS 76 45.218 58.565 72.785 590 2HG LYS 76 1HG LYS 76 44.152 58.002 71.378 591 1HD LYS 76 2HD LYS 76 42.824 58.068 74.042 592 2HD LYS 76 1HD LYS 76 43.372 59.736 73.481 593 1HE LYS 76 2HE LYS 76 41.924 59.674 71.656 594 2HE LYS 76 1HE LYS 76 41.953 57.864 71.487 595 1HZ LYS 76 1HZ LYS 76 40.872 58.132 73.838 596 2HZ LYS 76 3HZ LYS 76 40.205 59.497 73.196 597 3HZ LYS 76 2HZ LYS 76 39.939 58.026 72.436 598 H GLY 77 H GLY 77 45.963 53.666 71.166 599 1HA GLY 77 1HA GLY 77 43.870 52.480 69.917 600 2HA GLY 77 2HA GLY 77 44.243 53.858 68.744 601 H LEU 78 H LEU 78 46.827 54.135 69.444 602 HA LEU 78 HA LEU 78 48.146 51.786 68.077 603 1HB LEU 78 2HB LEU 78 47.332 53.670 66.605 604 2HB LEU 78 1HB LEU 78 48.623 54.713 67.317 605 HG LEU 78 HG LEU 78 50.222 52.650 66.709 606 1HD1 LEU 78 3HD1 LEU 78 47.717 51.648 65.719 607 2HD1 LEU 78 2HD1 LEU 78 48.881 51.870 64.377 608 3HD1 LEU 78 1HD1 LEU 78 49.335 50.839 65.848 609 1HD2 LEU 78 1HD2 LEU 78 49.809 55.067 65.500 610 2HD2 LEU 78 3HD2 LEU 78 50.764 53.807 64.634 611 3HD2 LEU 78 2HD2 LEU 78 49.044 54.061 64.211 612 H ASP 79 H ASP 79 48.420 52.297 70.804 613 HA ASP 79 HA ASP 79 51.028 52.136 71.445 614 1HB ASP 79 2HB ASP 79 51.850 54.081 70.514 615 2HB ASP 79 1HB ASP 79 50.362 55.101 71.081 616 H GLY 80 H GLY 80 48.826 54.851 72.276 617 1HA GLY 80 1HA GLY 80 47.384 55.149 74.022 618 2HA GLY 80 2HA GLY 80 47.964 53.533 74.798 619 H ARG 81 H ARG 81 48.921 56.715 73.809 620 HA ARG 81 HA ARG 81 49.927 57.188 76.582 621 1HB ARG 81 2HB ARG 81 52.012 56.357 75.455 622 2HB ARG 81 1HB ARG 81 51.903 57.774 74.280 623 1HG ARG 81 2HG ARG 81 52.904 59.078 75.878 624 2HG ARG 81 1HG ARG 81 51.482 58.870 76.897 625 1HD ARG 81 2HD ARG 81 52.491 56.666 77.708 626 2HD ARG 81 1HD ARG 81 54.041 57.170 76.830 627 HE ARG 81 HE ARG 81 53.443 59.350 78.390 628 1HH1 ARG 81 2HH2 ARG 81 53.657 55.793 79.090 629 2HH1 ARG 81 1HH2 ARG 81 54.150 56.079 80.754 630 1HH2 ARG 81 2HH1 ARG 81 54.143 59.610 80.658 631 2HH2 ARG 81 1HH1 ARG 81 54.438 58.208 81.647 632 H ASN 82 H ASN 82 51.371 59.616 74.671 633 HA ASN 82 HA ASN 82 49.687 61.352 73.807 634 1HB ASN 82 2HB ASN 82 48.820 61.093 76.665 635 2HB ASN 82 1HB ASN 82 49.676 62.714 76.467 636 1HD2 ASN 82 2HD2 ASN 82 46.384 61.792 74.210 637 2HD2 ASN 82 1HD2 ASN 82 47.420 60.512 74.827 638 H VAL 83 H VAL 83 51.256 62.259 72.836 639 HA VAL 83 HA VAL 83 53.405 63.483 74.644 640 HB VAL 83 HB VAL 83 54.065 62.513 71.918 641 1HG1 VAL 83 1HG1 VAL 83 55.483 63.138 74.446 642 2HG1 VAL 83 3HG1 VAL 83 56.141 61.711 73.510 643 3HG1 VAL 83 2HG1 VAL 83 56.063 63.408 72.794 644 1HG2 VAL 83 1HG2 VAL 83 53.796 60.828 74.512 645 2HG2 VAL 83 3HG2 VAL 83 52.964 60.531 72.875 646 3HG2 VAL 83 2HG2 VAL 83 54.775 60.275 73.079 647 H LYS 84 H LYS 84 54.796 64.872 73.853 648 HA LYS 84 HA LYS 84 53.628 67.119 72.366 649 1HB LYS 84 2HB LYS 84 56.280 66.571 73.772 650 2HB LYS 84 1HB LYS 84 56.165 67.842 72.498 651 1HG LYS 84 2HG LYS 84 55.615 68.610 74.957 652 2HG LYS 84 1HG LYS 84 54.504 69.143 73.619 653 1HD LYS 84 2HD LYS 84 53.153 68.410 75.416 654 2HD LYS 84 1HD LYS 84 52.999 67.101 74.213 655 1HE LYS 84 2HE LYS 84 54.044 65.519 75.571 656 2HE LYS 84 1HE LYS 84 55.348 66.742 76.031 657 1HZ LYS 84 2HZ LYS 84 53.175 67.739 77.263 658 2HZ LYS 84 1HZ LYS 84 52.925 66.108 77.508 659 3HZ LYS 84 3HZ LYS 84 54.341 66.753 77.988 660 H THR 85 H THR 85 54.766 68.142 70.742 661 HA THR 85 HA THR 85 56.550 66.684 68.880 662 HB THR 85 HB THR 85 53.623 66.362 68.849 663 HG1 THR 85 1HG THR 85 54.439 64.631 68.992 664 1HG2 THR 85 3HG2 THR 85 55.481 66.821 66.298 665 2HG2 THR 85 2HG2 THR 85 53.883 65.872 66.273 666 3HG2 THR 85 1HG2 THR 85 53.935 67.661 66.626 667 H LEU 86 H LEU 86 57.720 68.309 69.001 668 HA LEU 86 HA LEU 86 56.493 70.922 68.197 669 1HB LEU 86 2HB LEU 86 58.061 70.876 70.157 670 2HB LEU 86 1HB LEU 86 59.420 70.424 69.004 671 HG LEU 86 HG LEU 86 58.102 72.670 67.790 672 1HD1 LEU 86 2HD1 LEU 86 58.626 72.878 70.885 673 2HD1 LEU 86 1HD1 LEU 86 58.499 74.297 69.812 674 3HD1 LEU 86 3HD1 LEU 86 57.075 73.122 69.967 675 1HD2 LEU 86 3HD2 LEU 86 60.689 71.760 68.201 676 2HD2 LEU 86 2HD2 LEU 86 60.333 73.502 67.871 677 3HD2 LEU 86 1HD2 LEU 86 60.587 72.897 69.582 678 H VAL 87 H VAL 87 56.081 70.819 66.224 679 HA VAL 87 HA VAL 87 57.864 70.000 64.131 680 HB VAL 87 HB VAL 87 55.378 71.890 64.103 681 1HG1 VAL 87 1HG1 VAL 87 56.762 71.786 61.919 682 2HG1 VAL 87 3HG1 VAL 87 56.453 70.019 61.942 683 3HG1 VAL 87 2HG1 VAL 87 55.065 71.177 61.791 684 1HG2 VAL 87 2HG2 VAL 87 55.427 69.238 65.112 685 2HG2 VAL 87 1HG2 VAL 87 54.019 69.959 64.237 686 3HG2 VAL 87 3HG2 VAL 87 55.208 68.920 63.369 687 H THR 88 H THR 88 59.298 70.997 63.010 688 HA THR 88 HA THR 88 59.466 73.934 62.934 689 HB THR 88 HB THR 88 61.035 72.091 64.721 690 HG1 THR 88 1HG THR 88 59.727 74.194 64.963 691 1HG2 THR 88 3HG2 THR 88 62.335 74.531 63.206 692 2HG2 THR 88 2HG2 THR 88 63.130 73.652 64.588 693 3HG2 THR 88 1HG2 THR 88 62.827 72.768 63.047 694 H TRP 89 H TRP 89 61.178 74.652 61.591 695 HA TRP 89 HA TRP 89 61.768 72.935 59.210 696 1HB TRP 89 2HB TRP 89 61.949 75.948 59.960 697 2HB TRP 89 1HB TRP 89 62.567 75.327 58.390 698 HD1 TRP 89 HD1 TRP 89 59.318 76.493 59.860 699 HE1 TRP 89 HE1 TRP 89 57.442 75.365 58.441 700 HE3 TRP 89 HE3 TRP 89 62.101 73.194 57.329 701 HZ2 TRP 89 HZ2 TRP 89 57.257 73.206 56.467 702 HZ3 TRP 89 HZ3 TRP 89 61.130 71.600 55.713 703 HH2 TRP 89 HH2 TRP 89 58.807 71.661 55.406 704 H GLU 90 H GLU 90 63.989 72.326 58.579 705 HA GLU 90 HA GLU 90 65.689 72.732 60.960 706 1HB GLU 90 2HB GLU 90 65.212 70.588 59.330 707 2HB GLU 90 1HB GLU 90 66.754 71.276 58.590 708 1HG GLU 90 2HG GLU 90 66.393 70.099 61.437 709 2HG GLU 90 1HG GLU 90 67.605 69.766 60.091 710 H GLY 91 H GLY 91 65.896 72.772 57.526 711 1HA GLY 91 1HA GLY 91 66.834 75.286 56.894 712 2HA GLY 91 2HA GLY 91 68.346 74.256 57.203 713 H ASN 92 H ASN 92 65.162 74.001 55.928 714 HA ASN 92 HA ASN 92 64.192 73.510 53.908 715 1HB ASN 92 2HB ASN 92 66.692 72.087 52.810 716 2HB ASN 92 1HB ASN 92 65.338 72.976 51.893 717 1HD2 ASN 92 2HD2 ASN 92 66.399 76.234 52.927 718 2HD2 ASN 92 1HD2 ASN 92 64.985 75.212 53.146 719 H THR 93 H THR 93 63.524 72.455 55.757 720 HA THR 93 HA THR 93 62.609 69.877 55.176 721 HB THR 93 HB THR 93 64.609 68.769 55.190 722 HG1 THR 93 1HG THR 93 63.942 67.348 56.651 723 1HG2 THR 93 3HG2 THR 93 65.419 70.690 57.295 724 2HG2 THR 93 2HG2 THR 93 65.360 69.085 58.088 725 3HG2 THR 93 1HG2 THR 93 66.438 69.299 56.639 726 H LEU 94 H LEU 94 61.271 68.965 56.400 727 HA LEU 94 HA LEU 94 60.370 70.412 58.765 728 1HB LEU 94 2HB LEU 94 58.869 69.689 56.889 729 2HB LEU 94 1HB LEU 94 59.069 67.967 57.515 730 HG LEU 94 HG LEU 94 58.667 69.155 59.850 731 1HD1 LEU 94 3HD1 LEU 94 58.474 71.430 58.367 732 2HD1 LEU 94 2HD1 LEU 94 56.748 70.887 58.179 733 3HD1 LEU 94 1HD1 LEU 94 57.411 71.138 59.848 734 1HD2 LEU 94 3HD2 LEU 94 57.207 67.379 58.903 735 2HD2 LEU 94 2HD2 LEU 94 56.182 68.689 59.657 736 3HD2 LEU 94 1HD2 LEU 94 56.414 68.629 57.845 737 H VAL 95 H VAL 95 61.255 70.104 60.484 738 HA VAL 95 HA VAL 95 62.069 67.411 61.357 739 HB VAL 95 HB VAL 95 62.392 70.205 62.565 740 1HG1 VAL 95 3HG1 VAL 95 63.647 67.573 63.164 741 2HG1 VAL 95 2HG1 VAL 95 64.642 69.066 63.550 742 3HG1 VAL 95 1HG1 VAL 95 63.058 68.759 64.350 743 1HG2 VAL 95 3HG2 VAL 95 63.593 69.550 60.106 744 2HG2 VAL 95 2HG2 VAL 95 64.315 70.678 61.365 745 3HG2 VAL 95 1HG2 VAL 95 64.843 68.931 61.284 746 H CYS 96 H CYS 96 61.371 66.698 63.478 747 HA CYS 96 HA CYS 96 59.771 68.522 65.117 748 1HB CYS 96 2HB CYS 96 57.803 67.609 64.227 749 2HB CYS 96 1HB CYS 96 58.546 66.102 63.673 750 HG CYS 96 HG CYS 96 58.038 67.044 66.854 751 H VAL 97 H VAL 97 60.053 68.180 67.077 752 HA VAL 97 HA VAL 97 61.828 65.973 67.980 753 HB VAL 97 HB VAL 97 61.076 68.487 69.491 754 1HG1 VAL 97 3HG1 VAL 97 63.362 66.434 69.479 755 2HG1 VAL 97 2HG1 VAL 97 63.914 68.093 69.833 756 3HG1 VAL 97 1HG1 VAL 97 62.693 67.347 70.930 757 1HG2 VAL 97 2HG2 VAL 97 62.583 68.309 66.927 758 2HG2 VAL 97 1HG2 VAL 97 61.702 69.677 67.785 759 3HG2 VAL 97 3HG2 VAL 97 63.380 69.276 68.287 760 H GLN 98 H GLN 98 59.898 64.562 68.039 761 HA GLN 98 HA GLN 98 57.683 64.712 69.784 762 1HB GLN 98 2HB GLN 98 59.406 62.722 68.470 763 2HB GLN 98 1HB GLN 98 58.468 62.023 69.904 764 1HG GLN 98 2HG GLN 98 56.905 63.756 68.020 765 2HG GLN 98 1HG GLN 98 57.488 62.178 67.249 766 1HE2 GLN 98 1HE2 GLN 98 55.282 61.847 70.641 767 2HE2 GLN 98 2HE2 GLN 98 56.659 62.933 70.596 768 H LYS 99 H LYS 99 57.951 65.643 71.616 769 HA LYS 99 HA LYS 99 60.156 64.514 73.363 770 1HB LYS 99 2HB LYS 99 59.573 67.041 73.091 771 2HB LYS 99 1HB LYS 99 58.223 66.741 74.208 772 1HG LYS 99 2HG LYS 99 59.623 66.025 75.975 773 2HG LYS 99 1HG LYS 99 61.081 65.741 74.945 774 1HD LYS 99 2HD LYS 99 60.946 67.917 76.421 775 2HD LYS 99 1HD LYS 99 61.360 68.114 74.609 776 1HE LYS 99 2HE LYS 99 59.253 68.980 74.184 777 2HE LYS 99 1HE LYS 99 58.497 68.159 75.616 778 1HZ LYS 99 3HZ LYS 99 60.464 70.421 75.739 779 2HZ LYS 99 2HZ LYS 99 58.814 70.612 75.899 780 3HZ LYS 99 1HZ LYS 99 59.637 69.804 77.083 781 H GLY 100 H GLY 100 59.558 62.673 73.955 782 1HA GLY 100 1HA GLY 100 56.921 62.186 75.344 783 2HA GLY 100 2HA GLY 100 58.008 60.886 74.769 784 H GLU 101 H GLU 101 58.437 59.880 76.382 785 HA GLU 101 HA GLU 101 59.902 61.082 78.680 786 1HB GLU 101 2HB GLU 101 57.171 61.014 78.891 787 2HB GLU 101 1HB GLU 101 57.506 59.310 79.393 788 1HG GLU 101 2HG GLU 101 59.432 61.227 80.606 789 2HG GLU 101 1HG GLU 101 57.657 61.744 80.903 790 H LYS 102 H LYS 102 58.231 58.293 77.403 791 HA LYS 102 HA LYS 102 60.450 56.481 78.408 792 1HB LYS 102 2HB LYS 102 58.870 54.585 77.782 793 2HB LYS 102 1HB LYS 102 58.410 55.687 79.174 794 1HG LYS 102 2HG LYS 102 56.399 55.231 77.827 795 2HG LYS 102 1HG LYS 102 56.838 56.973 77.752 796 1HD LYS 102 2HD LYS 102 56.201 56.178 75.558 797 2HD LYS 102 1HD LYS 102 58.000 56.445 75.478 798 1HE LYS 102 2HE LYS 102 57.716 54.348 74.392 799 2HE LYS 102 1HE LYS 102 58.127 53.896 76.092 800 1HZ LYS 102 2HZ LYS 102 55.369 54.322 75.204 801 2HZ LYS 102 1HZ LYS 102 56.100 52.852 74.908 802 3HZ LYS 102 3HZ LYS 102 55.840 53.390 76.490 803 H GLU 103 H GLU 103 59.841 58.228 75.791 804 HA GLU 103 HA GLU 103 61.623 56.563 74.202 805 1HB GLU 103 2HB GLU 103 60.253 55.703 72.574 806 2HB GLU 103 1HB GLU 103 59.012 55.849 73.907 807 1HG GLU 103 2HG GLU 103 59.390 57.713 71.516 808 2HG GLU 103 1HG GLU 103 57.903 56.710 72.054 809 H ASN 104 H ASN 104 61.722 57.139 71.892 810 HA ASN 104 HA ASN 104 61.750 60.114 71.726 811 1HB ASN 104 2HB ASN 104 63.829 57.908 71.155 812 2HB ASN 104 1HB ASN 104 63.822 59.375 70.019 813 1HD2 ASN 104 1HD2 ASN 104 65.522 61.323 72.328 814 2HD2 ASN 104 2HD2 ASN 104 65.004 60.938 70.546 815 H ARG 105 H ARG 105 59.803 60.297 70.535 816 HA ARG 105 HA ARG 105 59.352 58.279 68.460 817 1HB ARG 105 2HB ARG 105 57.531 60.265 69.892 818 2HB ARG 105 1HB ARG 105 57.244 59.845 68.164 819 1HG ARG 105 2HG ARG 105 58.034 57.542 69.948 820 2HG ARG 105 1HG ARG 105 56.357 58.283 70.104 821 1HD ARG 105 2HD ARG 105 57.648 57.586 67.422 822 2HD ARG 105 1HD ARG 105 56.682 56.335 68.282 823 HE ARG 105 HE ARG 105 55.737 58.713 66.859 824 1HH1 ARG 105 1HH1 ARG 105 55.138 56.745 69.757 825 2HH1 ARG 105 2HH1 ARG 105 53.439 57.122 69.935 826 1HH2 ARG 105 1HH2 ARG 105 53.353 59.282 67.052 827 2HH2 ARG 105 2HH2 ARG 105 52.471 58.576 68.369 828 H GLY 106 H GLY 106 61.068 60.886 68.885 829 1HA GLY 106 1HA GLY 106 60.826 62.858 67.013 830 2HA GLY 106 2HA GLY 106 62.384 61.982 67.222 831 H TRP 107 H TRP 107 59.646 62.457 65.376 832 HA TRP 107 HA TRP 107 60.772 61.046 63.029 833 1HB TRP 107 2HB TRP 107 58.744 60.304 62.323 834 2HB TRP 107 1HB TRP 107 58.139 60.593 64.017 835 HD1 TRP 107 HD1 TRP 107 58.385 62.236 60.451 836 HE1 TRP 107 HE1 TRP 107 56.845 64.386 60.398 837 HE3 TRP 107 HE3 TRP 107 57.073 62.322 65.316 838 HZ2 TRP 107 HZ2 TRP 107 55.515 65.683 62.144 839 HZ3 TRP 107 HZ3 TRP 107 55.590 64.107 66.097 840 HH2 TRP 107 HH2 TRP 107 54.810 65.776 64.525 841 H LYS 108 H LYS 108 61.009 61.908 61.271 842 HA LYS 108 HA LYS 108 60.130 64.603 60.693 843 1HB LYS 108 2HB LYS 108 62.873 65.063 60.363 844 2HB LYS 108 1HB LYS 108 62.048 65.513 61.958 845 1HG LYS 108 2HG LYS 108 62.614 63.152 62.776 846 2HG LYS 108 1HG LYS 108 63.632 62.991 61.268 847 1HD LYS 108 2HD LYS 108 65.096 63.626 63.139 848 2HD LYS 108 1HD LYS 108 64.979 65.010 62.023 849 1HE LYS 108 2HE LYS 108 63.006 65.772 63.669 850 2HE LYS 108 1HE LYS 108 63.546 64.427 64.762 851 1HZ LYS 108 3HZ LYS 108 65.710 66.199 63.896 852 2HZ LYS 108 2HZ LYS 108 64.474 66.872 64.876 853 3HZ LYS 108 1HZ LYS 108 65.305 65.537 65.368 854 H GLN 109 H GLN 109 61.601 65.551 58.831 855 HA GLN 109 HA GLN 109 62.104 63.162 56.938 856 1HB GLN 109 2HB GLN 109 60.062 65.389 56.795 857 2HB GLN 109 1HB GLN 109 60.916 64.906 55.231 858 1HG GLN 109 2HG GLN 109 59.239 63.171 55.306 859 2HG GLN 109 1HG GLN 109 60.220 62.568 56.797 860 1HE2 GLN 109 1HE2 GLN 109 57.758 63.523 59.008 861 2HE2 GLN 109 2HE2 GLN 109 59.320 62.581 58.647 862 H TRP 110 H TRP 110 62.791 64.312 54.664 863 HA TRP 110 HA TRP 110 64.028 66.860 54.795 864 1HB TRP 110 2HB TRP 110 66.455 65.875 54.894 865 2HB TRP 110 1HB TRP 110 65.556 66.396 56.395 866 HD1 TRP 110 HD1 TRP 110 65.547 62.984 54.344 867 HE1 TRP 110 HE1 TRP 110 65.876 61.171 56.183 868 HE3 TRP 110 HE3 TRP 110 65.909 66.038 58.233 869 HZ2 TRP 110 HZ2 TRP 110 66.220 61.222 58.959 870 HZ3 TRP 110 HZ3 TRP 110 66.238 65.233 60.528 871 HH2 TRP 110 HH2 TRP 110 66.386 62.827 60.820 872 H VAL 111 H VAL 111 63.254 66.947 52.757 873 HA VAL 111 HA VAL 111 63.389 65.458 50.471 874 HB VAL 111 HB VAL 111 64.346 68.363 50.981 875 1HG1 VAL 111 2HG1 VAL 111 65.001 67.659 48.643 876 2HG1 VAL 111 1HG1 VAL 111 63.250 67.246 48.305 877 3HG1 VAL 111 3HG1 VAL 111 63.763 68.939 48.686 878 1HG2 VAL 111 2HG2 VAL 111 61.867 66.994 51.288 879 2HG2 VAL 111 1HG2 VAL 111 62.131 68.724 51.577 880 3HG2 VAL 111 3HG2 VAL 111 61.708 68.142 49.854 881 H GLU 112 H GLU 112 64.819 64.071 50.063 882 HA GLU 112 HA GLU 112 67.683 64.872 49.895 883 1HB GLU 112 2HB GLU 112 68.151 62.410 50.104 884 2HB GLU 112 1HB GLU 112 67.305 63.116 51.500 885 1HG GLU 112 2HG GLU 112 65.656 61.614 51.266 886 2HG GLU 112 1HG GLU 112 65.246 62.294 49.583 887 H GLY 113 H GLY 113 65.812 65.336 47.688 888 1HA GLY 113 1HA GLY 113 66.201 65.411 45.364 889 2HA GLY 113 2HA GLY 113 67.500 64.174 45.525 890 H ASP 114 H ASP 114 64.329 64.990 44.870 891 HA ASP 114 HA ASP 114 62.551 64.089 43.745 892 1HB ASP 114 2HB ASP 114 64.630 61.793 43.114 893 2HB ASP 114 1HB ASP 114 63.080 62.275 42.147 894 H LYS 115 H LYS 115 62.774 63.357 46.461 895 HA LYS 115 HA LYS 115 60.575 61.856 47.038 896 1HB LYS 115 2HB LYS 115 61.350 59.572 47.668 897 2HB LYS 115 1HB LYS 115 61.634 59.893 45.896 898 1HG LYS 115 2HG LYS 115 64.007 60.818 46.937 899 2HG LYS 115 1HG LYS 115 63.591 59.380 48.015 900 1HD LYS 115 2HD LYS 115 62.853 58.420 45.498 901 2HD LYS 115 1HD LYS 115 64.064 59.634 44.984 902 1HE LYS 115 2HE LYS 115 65.737 58.588 46.470 903 2HE LYS 115 1HE LYS 115 64.468 57.573 47.243 904 1HZ LYS 115 3HZ LYS 115 64.058 56.676 44.860 905 2HZ LYS 115 2HZ LYS 115 65.588 57.229 44.446 906 3HZ LYS 115 1HZ LYS 115 65.365 56.086 45.652 907 H LEU 116 H LEU 116 60.250 61.342 49.103 908 HA LEU 116 HA LEU 116 61.988 63.119 50.795 909 1HB LEU 116 2HB LEU 116 59.201 62.258 50.664 910 2HB LEU 116 1HB LEU 116 59.836 62.004 52.346 911 HG LEU 116 HG LEU 116 60.258 64.640 50.782 912 1HD1 LEU 116 1HD1 LEU 116 57.708 63.823 51.069 913 2HD1 LEU 116 3HD1 LEU 116 57.992 64.063 52.837 914 3HD1 LEU 116 2HD1 LEU 116 58.164 65.450 51.644 915 1HD2 LEU 116 1HD2 LEU 116 60.322 63.743 53.733 916 2HD2 LEU 116 3HD2 LEU 116 61.656 64.520 52.834 917 3HD2 LEU 116 2HD2 LEU 116 60.211 65.494 53.312 918 H TYR 117 H TYR 117 61.665 62.302 53.244 919 HA TYR 117 HA TYR 117 62.422 59.483 53.311 920 1HB TYR 117 2HB TYR 117 64.394 61.654 53.238 921 2HB TYR 117 1HB TYR 117 64.516 60.809 54.827 922 HD1 TYR 117 HD1 TYR 117 63.545 57.952 53.108 923 HD2 TYR 117 HD2 TYR 117 66.738 60.820 52.808 924 HE1 TYR 117 HE1 TYR 117 64.937 56.340 52.005 925 HE2 TYR 117 HE2 TYR 117 68.114 59.234 51.729 926 HH TYR 117 HH TYR 117 68.250 56.987 51.003 927 H LEU 118 H LEU 118 60.689 59.281 54.317 928 HA LEU 118 HA LEU 118 60.387 60.635 56.959 929 1HB LEU 118 2HB LEU 118 58.658 59.206 55.142 930 2HB LEU 118 1HB LEU 118 58.763 58.087 56.597 931 HG LEU 118 HG LEU 118 57.555 60.894 56.572 932 1HD1 LEU 118 3HD1 LEU 118 56.457 58.447 56.023 933 2HD1 LEU 118 2HD1 LEU 118 56.284 58.490 57.843 934 3HD1 LEU 118 1HD1 LEU 118 55.656 59.817 56.830 935 1HD2 LEU 118 2HD2 LEU 118 58.363 58.902 58.821 936 2HD2 LEU 118 1HD2 LEU 118 59.068 60.573 58.699 937 3HD2 LEU 118 3HD2 LEU 118 57.317 60.425 59.051 938 H GLU 119 H GLU 119 62.122 60.405 57.971 939 HA GLU 119 HA GLU 119 62.951 57.717 58.954 940 1HB GLU 119 2HB GLU 119 64.443 60.445 58.663 941 2HB GLU 119 1HB GLU 119 64.926 59.134 59.797 942 1HG GLU 119 2HG GLU 119 65.164 57.507 58.062 943 2HG GLU 119 1HG GLU 119 64.288 58.568 56.827 944 H LEU 120 H LEU 120 61.801 57.127 60.514 945 HA LEU 120 HA LEU 120 61.559 59.148 62.764 946 1HB LEU 120 2HB LEU 120 59.476 58.749 63.304 947 2HB LEU 120 1HB LEU 120 59.309 58.342 61.549 948 HG LEU 120 HG LEU 120 60.098 55.896 62.520 949 1HD1 LEU 120 2HD1 LEU 120 58.302 57.485 64.468 950 2HD1 LEU 120 1HD1 LEU 120 58.164 55.660 64.392 951 3HD1 LEU 120 3HD1 LEU 120 59.728 56.467 64.934 952 1HD2 LEU 120 3HD2 LEU 120 57.612 57.091 61.537 953 2HD2 LEU 120 2HD2 LEU 120 58.226 55.376 61.290 954 3HD2 LEU 120 1HD2 LEU 120 57.245 55.788 62.703 955 H THR 121 H THR 121 61.510 58.417 64.729 956 HA THR 121 HA THR 121 62.616 55.647 65.211 957 HB THR 121 HB THR 121 64.503 57.437 65.099 958 HG1 THR 121 1HG THR 121 64.222 55.950 67.494 959 1HG2 THR 121 2HG2 THR 121 62.924 58.904 66.853 960 2HG2 THR 121 1HG2 THR 121 63.878 57.952 68.066 961 3HG2 THR 121 3HG2 THR 121 64.713 59.043 66.912 962 H CYS 122 H CYS 122 62.164 54.883 67.526 963 HA CYS 122 HA CYS 122 60.006 56.457 68.945 964 1HB CYS 122 2HB CYS 122 60.060 53.445 68.559 965 2HB CYS 122 1HB CYS 122 58.601 54.436 68.872 966 HG CYS 122 HG CYS 122 58.287 53.325 66.591 967 H GLY 123 H GLY 123 62.670 56.216 69.375 968 1HA GLY 123 1HA GLY 123 63.310 56.079 71.939 969 2HA GLY 123 2HA GLY 123 62.862 54.347 71.735 970 H ASP 124 H ASP 124 63.697 53.548 69.601 971 HA ASP 124 HA ASP 124 66.330 54.160 68.521 972 1HB ASP 124 2HB ASP 124 67.447 52.080 69.488 973 2HB ASP 124 1HB ASP 124 67.116 53.331 70.808 974 H GLN 125 H GLN 125 63.892 53.897 67.448 975 HA GLN 125 HA GLN 125 63.861 50.990 66.552 976 1HB GLN 125 2HB GLN 125 61.762 51.927 67.432 977 2HB GLN 125 1HB GLN 125 61.706 53.188 66.152 978 1HG GLN 125 2HG GLN 125 62.179 50.444 65.024 979 2HG GLN 125 1HG GLN 125 60.594 50.738 65.862 980 1HE2 GLN 125 1HE2 GLN 125 59.745 52.200 62.732 981 2HE2 GLN 125 2HE2 GLN 125 59.582 50.720 63.942 982 H VAL 126 H VAL 126 64.507 54.212 65.678 983 HA VAL 126 HA VAL 126 64.823 55.372 63.658 984 HB VAL 126 HB VAL 126 67.024 54.698 64.622 985 1HG1 VAL 126 1HG1 VAL 126 66.266 52.093 63.311 986 2HG1 VAL 126 3HG1 VAL 126 67.861 52.629 62.780 987 3HG1 VAL 126 2HG1 VAL 126 67.519 52.396 64.592 988 1HG2 VAL 126 2HG2 VAL 126 66.549 55.818 62.224 989 2HG2 VAL 126 1HG2 VAL 126 68.210 55.453 62.779 990 3HG2 VAL 126 3HG2 VAL 126 67.412 54.315 61.632 991 H CYS 127 H CYS 127 62.702 54.313 62.727 992 HA CYS 127 HA CYS 127 62.897 52.298 60.708 993 1HB CYS 127 2HB CYS 127 60.531 52.775 60.897 994 2HB CYS 127 1HB CYS 127 60.877 54.226 61.802 995 HG CYS 127 HG CYS 127 59.350 54.854 59.750 996 H ARG 128 H ARG 128 62.920 52.398 58.500 997 HA ARG 128 HA ARG 128 64.074 55.003 57.374 998 1HB ARG 128 2HB ARG 128 65.669 52.903 58.120 999 2HB ARG 128 1HB ARG 128 65.331 52.472 56.351 1000 1HG ARG 128 2HG ARG 128 65.960 55.303 56.549 1001 2HG ARG 128 1HG ARG 128 67.256 54.378 57.351 1002 1HD ARG 128 2HD ARG 128 65.987 53.797 54.580 1003 2HD ARG 128 1HD ARG 128 67.603 54.652 54.879 1004 HE ARG 128 HE ARG 128 68.003 52.320 56.187 1005 1HH1 ARG 128 1HH2 ARG 128 66.616 52.923 52.903 1006 2HH1 ARG 128 2HH2 ARG 128 67.196 51.364 52.316 1007 1HH2 ARG 128 2HH1 ARG 128 68.739 50.354 55.336 1008 2HH2 ARG 128 1HH1 ARG 128 68.407 49.916 53.649 1009 H GLN 129 H GLN 129 62.151 55.424 56.532 1010 HA GLN 129 HA GLN 129 61.092 53.420 54.589 1011 1HB GLN 129 2HB GLN 129 60.093 56.319 55.122 1012 2HB GLN 129 1HB GLN 129 59.189 54.942 54.291 1013 1HG GLN 129 2HG GLN 129 60.193 54.082 56.879 1014 2HG GLN 129 1HG GLN 129 59.023 55.510 57.034 1015 1HE2 GLN 129 1HE2 GLN 129 56.253 53.509 56.465 1016 2HE2 GLN 129 2HE2 GLN 129 57.031 55.000 57.058 1017 H VAL 130 H VAL 130 60.298 54.043 52.352 1018 HA VAL 130 HA VAL 130 62.314 55.910 51.128 1019 HB VAL 130 HB VAL 130 61.562 53.047 50.099 1020 1HG1 VAL 130 2HG1 VAL 130 62.779 55.543 48.817 1021 2HG1 VAL 130 1HG1 VAL 130 63.626 53.988 48.444 1022 3HG1 VAL 130 3HG1 VAL 130 61.899 54.106 48.060 1023 1HG2 VAL 130 1HG2 VAL 130 63.190 53.135 51.902 1024 2HG2 VAL 130 3HG2 VAL 130 64.018 52.618 50.318 1025 3HG2 VAL 130 2HG2 VAL 130 64.250 54.257 50.960 1026 H PHE 131 H PHE 131 61.693 57.061 49.595 1027 HA PHE 131 HA PHE 131 58.720 56.897 48.919 1028 1HB PHE 131 2HB PHE 131 60.665 59.151 49.658 1029 2HB PHE 131 1HB PHE 131 59.091 59.536 48.803 1030 HD1 PHE 131 HD1 PHE 131 60.482 57.758 51.899 1031 HD2 PHE 131 HD2 PHE 131 57.157 59.608 49.884 1032 HE1 PHE 131 HE1 PHE 131 59.118 57.580 53.991 1033 HE2 PHE 131 HE2 PHE 131 55.864 59.404 52.004 1034 HZ PHE 131 HZ PHE 131 56.850 58.404 53.997 1035 H LYS 132 H LYS 132 58.116 58.587 47.358 1036 HA LYS 132 HA LYS 132 59.757 59.078 44.974 1037 1HB LYS 132 2HB LYS 132 59.233 56.843 44.229 1038 2HB LYS 132 1HB LYS 132 57.976 56.650 45.485 1039 1HG LYS 132 2HG LYS 132 57.179 56.589 43.082 1040 2HG LYS 132 1HG LYS 132 56.244 57.829 44.030 1041 1HD LYS 132 2HD LYS 132 56.736 59.171 42.376 1042 2HD LYS 132 1HD LYS 132 58.478 59.279 43.022 1043 1HE LYS 132 2HE LYS 132 58.513 58.792 40.658 1044 2HE LYS 132 1HE LYS 132 59.058 57.305 41.540 1045 1HZ LYS 132 1HZ LYS 132 56.333 57.002 41.330 1046 2HZ LYS 132 3HZ LYS 132 56.638 57.785 39.925 1047 3HZ LYS 132 2HZ LYS 132 57.493 56.371 40.314 1048 H LYS 133 H LYS 133 58.896 61.032 44.500 1049 HA LYS 133 HA LYS 133 56.374 62.034 45.729 1050 1HB LYS 133 2HB LYS 133 58.528 63.331 45.170 1051 2HB LYS 133 1HB LYS 133 57.814 63.273 43.468 1052 1HG LYS 133 2HG LYS 133 55.900 64.487 44.148 1053 2HG LYS 133 1HG LYS 133 56.232 64.167 45.932 1054 1HD LYS 133 2HD LYS 133 57.056 66.339 45.946 1055 2HD LYS 133 1HD LYS 133 58.465 65.516 45.152 1056 1HE LYS 133 2HE LYS 133 57.648 65.958 42.962 1057 2HE LYS 133 1HE LYS 133 56.031 66.634 43.649 1058 1HZ LYS 133 2HZ LYS 133 58.557 67.851 44.443 1059 2HZ LYS 133 1HZ LYS 133 58.037 68.216 42.929 1060 3HZ LYS 133 3HZ LYS 133 57.029 68.560 44.179 1061 H LYS 134 H LYS 134 55.438 59.923 44.591 1062 HA LYS 134 HA LYS 134 53.839 59.110 43.112 1063 1HB LYS 134 2HB LYS 134 51.883 60.475 43.351 1064 2HB LYS 134 1HB LYS 134 52.957 61.300 44.519 1065 1HG LYS 134 2HG LYS 134 53.343 62.504 41.863 1066 2HG LYS 134 1HG LYS 134 51.579 62.456 42.287 1067 1HD LYS 134 2HD LYS 134 51.938 63.623 44.273 1068 2HD LYS 134 1HD LYS 134 53.785 63.404 44.166 1069 1HE LYS 134 2HE LYS 134 54.036 64.642 42.239 1070 2HE LYS 134 1HE LYS 134 52.203 64.733 41.974 1071 1HZ LYS 134 2HZ LYS 134 53.435 65.955 44.365 1072 2HZ LYS 134 1HZ LYS 134 53.408 66.808 42.927 1073 3HZ LYS 134 3HZ LYS 134 51.995 66.314 43.634 No H/Q in entry = 1073 Start of MODEL 14 1 1H MET 1 1H MET 1 63.144 76.001 45.456 2 2H MET 1 3H MET 1 62.494 76.773 44.171 3 3H MET 1 2H MET 1 63.793 77.479 44.995 4 HA MET 1 HA MET 1 62.215 78.710 46.013 5 1HB MET 1 2HB MET 1 60.427 76.360 45.062 6 2HB MET 1 1HB MET 1 59.780 77.681 46.148 7 1HG MET 1 2HG MET 1 61.108 79.153 44.165 8 2HG MET 1 1HG MET 1 60.513 77.845 43.185 9 1HE MET 1 3HE MET 1 59.567 79.847 42.130 10 2HE MET 1 2HE MET 1 57.887 79.878 42.076 11 3HE MET 1 1HE MET 1 58.748 81.182 43.056 12 H THR 2 H THR 2 61.355 78.811 48.012 13 HA THR 2 HA THR 2 62.445 76.743 49.878 14 HB THR 2 HB THR 2 60.475 78.915 50.718 15 HG1 THR 2 1HG THR 2 63.187 79.441 50.192 16 1HG2 THR 2 1HG2 THR 2 62.813 77.127 51.763 17 2HG2 THR 2 3HG2 THR 2 62.908 78.828 52.368 18 3HG2 THR 2 2HG2 THR 2 61.458 77.822 52.655 19 H LYS 3 H LYS 3 61.472 75.336 51.092 20 HA LYS 3 HA LYS 3 59.729 73.737 51.598 21 1HB LYS 3 2HB LYS 3 58.756 76.542 51.984 22 2HB LYS 3 1HB LYS 3 57.581 75.199 52.330 23 1HG LYS 3 2HG LYS 3 58.999 74.390 54.143 24 2HG LYS 3 1HG LYS 3 60.438 75.095 53.290 25 1HD LYS 3 2HD LYS 3 59.146 77.472 53.787 26 2HD LYS 3 1HD LYS 3 58.311 76.483 55.010 27 1HE LYS 3 2HE LYS 3 60.226 76.187 56.303 28 2HE LYS 3 1HE LYS 3 61.358 76.375 54.820 29 1HZ LYS 3 2HZ LYS 3 60.462 78.738 54.784 30 2HZ LYS 3 1HZ LYS 3 59.806 78.480 56.274 31 3HZ LYS 3 3HZ LYS 3 61.428 78.430 56.137 32 H ASP 4 H ASP 4 59.956 74.178 48.661 33 HA ASP 4 HA ASP 4 57.121 74.252 47.839 34 1HB ASP 4 2HB ASP 4 59.576 74.376 46.387 35 2HB ASP 4 1HB ASP 4 58.809 72.724 46.011 36 H GLN 5 H GLN 5 55.829 72.590 48.801 37 HA GLN 5 HA GLN 5 56.687 69.766 48.394 38 1HB GLN 5 2HB GLN 5 55.430 71.173 50.914 39 2HB GLN 5 1HB GLN 5 56.071 69.447 50.837 40 1HG GLN 5 2HG GLN 5 58.276 70.699 50.106 41 2HG GLN 5 1HG GLN 5 57.494 72.006 51.181 42 1HE2 GLN 5 1HE2 GLN 5 57.156 70.012 54.066 43 2HE2 GLN 5 2HE2 GLN 5 56.361 71.108 52.957 44 H ASN 6 H ASN 6 55.088 68.592 48.063 45 HA ASN 6 HA ASN 6 52.453 68.537 48.431 46 1HB ASN 6 2HB ASN 6 52.897 70.926 46.716 47 2HB ASN 6 1HB ASN 6 52.076 69.614 45.730 48 1HD2 ASN 6 2HD2 ASN 6 50.184 71.256 48.981 49 2HD2 ASN 6 1HD2 ASN 6 52.014 71.412 48.614 50 H GLY 7 H GLY 7 51.677 66.714 47.749 51 1HA GLY 7 1HA GLY 7 51.541 65.637 45.285 52 2HA GLY 7 2HA GLY 7 53.308 65.430 45.631 53 H THR 8 H THR 8 52.540 63.288 45.218 54 HA THR 8 HA THR 8 51.841 61.951 47.811 55 HB THR 8 HB THR 8 50.391 61.755 45.211 56 HG1 THR 8 1HG THR 8 49.682 62.293 47.381 57 1HG2 THR 8 1HG2 THR 8 51.314 59.378 47.031 58 2HG2 THR 8 3HG2 THR 8 49.954 59.145 45.854 59 3HG2 THR 8 2HG2 THR 8 51.633 59.459 45.244 60 H TRP 9 H TRP 9 52.790 60.116 48.146 61 HA TRP 9 HA TRP 9 54.913 59.125 46.284 62 1HB TRP 9 2HB TRP 9 55.851 59.500 49.121 63 2HB TRP 9 1HB TRP 9 56.802 59.495 47.617 64 HD1 TRP 9 HD1 TRP 9 53.914 61.754 48.919 65 HE1 TRP 9 HE1 TRP 9 54.402 64.252 48.742 66 HE3 TRP 9 HE3 TRP 9 58.377 61.181 47.024 67 HZ2 TRP 9 HZ2 TRP 9 56.569 65.633 47.822 68 HZ3 TRP 9 HZ3 TRP 9 59.702 63.185 46.463 69 HH2 TRP 9 HH2 TRP 9 58.835 65.343 46.846 70 H GLU 10 H GLU 10 54.485 57.152 45.880 71 HA GLU 10 HA GLU 10 52.863 55.456 47.366 72 1HB GLU 10 2HB GLU 10 55.121 54.931 45.303 73 2HB GLU 10 1HB GLU 10 54.103 53.604 45.988 74 1HG GLU 10 2HG GLU 10 52.095 55.244 45.308 75 2HG GLU 10 1HG GLU 10 53.453 56.050 44.339 76 H MET 11 H MET 11 56.048 56.306 48.040 77 HA MET 11 HA MET 11 57.681 55.558 49.585 78 1HB MET 11 2HB MET 11 55.871 55.772 51.284 79 2HB MET 11 1HB MET 11 55.102 54.237 50.700 80 1HG MET 11 2HG MET 11 57.571 53.204 51.410 81 2HG MET 11 1HG MET 11 57.525 54.673 52.392 82 1HE MET 11 3HE MET 11 56.372 51.145 51.538 83 2HE MET 11 2HE MET 11 55.327 50.596 52.836 84 3HE MET 11 1HE MET 11 54.694 51.649 51.442 85 H GLU 12 H GLU 12 58.561 54.594 47.807 86 HA GLU 12 HA GLU 12 58.140 52.230 46.532 87 1HB GLU 12 2HB GLU 12 60.563 53.916 47.084 88 2HB GLU 12 1HB GLU 12 60.951 52.135 47.060 89 1HG GLU 12 2HG GLU 12 59.737 51.963 44.809 90 2HG GLU 12 1HG GLU 12 59.621 53.855 44.901 91 H SER 13 H SER 13 59.609 52.654 49.694 92 HA SER 13 HA SER 13 58.879 49.796 50.368 93 1HB SER 13 2HB SER 13 61.118 49.001 50.705 94 2HB SER 13 1HB SER 13 61.429 50.184 49.331 95 HG SER 13 HG SER 13 61.987 50.352 52.030 96 H ASN 14 H ASN 14 59.266 49.206 52.305 97 HA ASN 14 HA ASN 14 59.573 51.320 54.417 98 1HB ASN 14 2HB ASN 14 57.050 50.410 53.954 99 2HB ASN 14 1HB ASN 14 57.682 48.920 54.824 100 1HD2 ASN 14 2HD2 ASN 14 56.417 51.118 57.436 101 2HD2 ASN 14 1HD2 ASN 14 55.796 49.934 56.104 102 H GLU 15 H GLU 15 60.948 50.919 55.797 103 HA GLU 15 HA GLU 15 62.207 48.302 55.786 104 1HB GLU 15 2HB GLU 15 62.625 51.077 56.920 105 2HB GLU 15 1HB GLU 15 63.263 49.859 58.079 106 1HG GLU 15 2HG GLU 15 63.760 49.464 55.136 107 2HG GLU 15 1HG GLU 15 64.854 50.558 56.247 108 H ASN 16 H ASN 16 62.593 48.340 58.968 109 HA ASN 16 HA ASN 16 60.727 46.484 59.639 110 1HB ASN 16 2HB ASN 16 62.060 46.691 61.490 111 2HB ASN 16 1HB ASN 16 62.460 48.450 61.046 112 1HD2 ASN 16 1HD2 ASN 16 60.456 49.717 63.556 113 2HD2 ASN 16 2HD2 ASN 16 61.900 49.849 62.344 114 H PHE 17 H PHE 17 58.737 46.372 60.426 115 HA PHE 17 HA PHE 17 57.191 49.010 60.561 116 1HB PHE 17 2HB PHE 17 56.616 47.974 58.505 117 2HB PHE 17 1HB PHE 17 56.638 46.315 59.291 118 HD1 PHE 17 HD2 PHE 17 54.867 49.633 59.327 119 HD2 PHE 17 HD1 PHE 17 54.611 45.481 60.170 120 HE1 PHE 17 HE2 PHE 17 52.465 49.932 59.857 121 HE2 PHE 17 HE1 PHE 17 52.208 45.747 60.701 122 HZ PHE 17 HZ PHE 17 51.095 48.042 60.533 123 H GLU 18 H GLU 18 57.258 45.583 61.403 124 HA GLU 18 HA GLU 18 55.210 45.941 63.563 125 1HB GLU 18 2HB GLU 18 55.264 43.686 63.613 126 2HB GLU 18 1HB GLU 18 56.134 43.874 62.008 127 1HG GLU 18 2HG GLU 18 57.485 43.487 64.765 128 2HG GLU 18 1HG GLU 18 57.232 42.185 63.452 129 H GLY 19 H GLY 19 58.709 46.136 63.336 130 1HA GLY 19 1HA GLY 19 59.055 45.570 66.227 131 2HA GLY 19 2HA GLY 19 60.310 46.257 65.160 132 H TYR 20 H TYR 20 58.387 48.312 64.130 133 HA TYR 20 HA TYR 20 58.916 50.360 66.197 134 1HB TYR 20 2HB TYR 20 58.845 51.372 64.093 135 2HB TYR 20 1HB TYR 20 57.682 50.128 63.468 136 HD1 TYR 20 HD1 TYR 20 57.354 52.622 66.237 137 HD2 TYR 20 HD2 TYR 20 55.945 51.003 62.563 138 HE1 TYR 20 HE1 TYR 20 55.432 54.159 66.384 139 HE2 TYR 20 HE2 TYR 20 54.023 52.435 62.565 140 HH TYR 20 HH TYR 20 53.203 54.563 63.667 141 H MET 21 H MET 21 56.225 48.294 65.164 142 HA MET 21 HA MET 21 54.300 49.765 66.782 143 1HB MET 21 2HB MET 21 54.540 47.187 65.152 144 2HB MET 21 1HB MET 21 53.442 47.144 66.569 145 1HG MET 21 2HG MET 21 52.606 49.551 65.586 146 2HG MET 21 1HG MET 21 53.300 49.059 64.084 147 1HE MET 21 3HE MET 21 53.173 45.851 64.730 148 2HE MET 21 2HE MET 21 51.674 45.195 64.277 149 3HE MET 21 1HE MET 21 52.647 46.245 63.076 150 H LYS 22 H LYS 22 56.581 47.387 67.171 151 HA LYS 22 HA LYS 22 55.577 46.346 69.713 152 1HB LYS 22 2HB LYS 22 58.117 45.835 67.942 153 2HB LYS 22 1HB LYS 22 58.123 45.288 69.645 154 1HG LYS 22 2HG LYS 22 55.574 44.488 68.976 155 2HG LYS 22 1HG LYS 22 56.455 44.255 67.379 156 1HD LYS 22 2HD LYS 22 57.388 43.210 70.118 157 2HD LYS 22 1HD LYS 22 56.762 42.233 68.682 158 1HE LYS 22 2HE LYS 22 58.665 43.639 67.382 159 2HE LYS 22 1HE LYS 22 59.333 43.821 69.095 160 1HZ LYS 22 2HZ LYS 22 58.680 41.223 67.765 161 2HZ LYS 22 1HZ LYS 22 60.204 41.929 67.682 162 3HZ LYS 22 3HZ LYS 22 59.528 41.398 69.142 163 H ALA 23 H ALA 23 57.488 48.720 68.533 164 HA ALA 23 HA ALA 23 59.174 49.231 70.858 165 1HB ALA 23 2HB ALA 23 59.084 50.306 68.346 166 2HB ALA 23 1HB ALA 23 58.136 51.581 69.241 167 3HB ALA 23 3HB ALA 23 59.844 51.260 69.727 168 H LEU 24 H LEU 24 56.001 50.045 69.963 169 HA LEU 24 HA LEU 24 55.529 51.440 72.612 170 1HB LEU 24 2HB LEU 24 53.578 52.622 71.553 171 2HB LEU 24 1HB LEU 24 55.101 53.005 70.659 172 HG LEU 24 HG LEU 24 53.770 50.601 69.517 173 1HD1 LEU 24 3HD1 LEU 24 51.762 51.718 70.551 174 2HD1 LEU 24 2HD1 LEU 24 52.019 53.165 69.479 175 3HD1 LEU 24 1HD1 LEU 24 51.723 51.572 68.730 176 1HD2 LEU 24 1HD2 LEU 24 55.485 52.555 68.757 177 2HD2 LEU 24 3HD2 LEU 24 54.505 51.639 67.563 178 3HD2 LEU 24 2HD2 LEU 24 53.931 53.278 68.121 179 H ASP 25 H ASP 25 55.647 48.843 71.563 180 HA ASP 25 HA ASP 25 54.920 46.708 71.812 181 1HB ASP 25 2HB ASP 25 54.048 48.188 74.094 182 2HB ASP 25 1HB ASP 25 52.657 47.122 73.573 183 H ILE 26 H ILE 26 52.032 48.678 72.148 184 HA ILE 26 HA ILE 26 49.853 48.418 71.369 185 HB ILE 26 HB ILE 26 51.237 49.826 69.659 186 1HG1 ILE 26 2HG1 ILE 26 48.660 48.330 68.868 187 2HG1 ILE 26 1HG1 ILE 26 48.811 49.787 69.896 188 1HG2 ILE 26 3HG2 ILE 26 51.747 47.300 68.573 189 2HG2 ILE 26 2HG2 ILE 26 50.414 47.896 67.520 190 3HG2 ILE 26 1HG2 ILE 26 51.950 48.892 67.691 191 1HD1 ILE 26 2HD1 ILE 26 49.930 51.066 67.981 192 2HD1 ILE 26 1HD1 ILE 26 49.810 49.630 66.897 193 3HD1 ILE 26 3HD1 ILE 26 48.325 50.446 67.437 194 H ASP 27 H ASP 27 51.083 46.026 72.043 195 HA ASP 27 HA ASP 27 50.847 43.873 72.023 196 1HB ASP 27 2HB ASP 27 48.272 43.922 70.263 197 2HB ASP 27 1HB ASP 27 48.669 43.072 71.892 198 H PHE 28 H PHE 28 50.267 41.788 70.576 199 HA PHE 28 HA PHE 28 51.934 42.259 68.124 200 1HB PHE 28 2HB PHE 28 51.479 39.603 69.592 201 2HB PHE 28 1HB PHE 28 52.931 40.113 68.566 202 HD1 PHE 28 HD1 PHE 28 54.469 41.916 69.636 203 HD2 PHE 28 HD2 PHE 28 51.369 39.934 71.792 204 HE1 PHE 28 HE1 PHE 28 55.523 42.624 71.837 205 HE2 PHE 28 HE2 PHE 28 52.337 40.598 73.958 206 HZ PHE 28 HZ PHE 28 54.483 41.992 73.940 207 H ALA 29 H ALA 29 51.750 40.521 66.497 208 HA ALA 29 HA ALA 29 50.590 39.222 64.951 209 1HB ALA 29 2HB ALA 29 49.269 38.571 67.211 210 2HB ALA 29 1HB ALA 29 47.941 39.558 66.432 211 3HB ALA 29 3HB ALA 29 48.586 38.048 65.607 212 H THR 30 H THR 30 50.782 40.437 63.396 213 HA THR 30 HA THR 30 48.578 41.944 62.439 214 HB THR 30 HB THR 30 50.349 43.361 64.374 215 HG1 THR 30 1HG THR 30 48.337 43.880 64.785 216 1HG2 THR 30 3HG2 THR 30 49.599 44.470 61.530 217 2HG2 THR 30 2HG2 THR 30 49.993 45.553 62.922 218 3HG2 THR 30 1HG2 THR 30 51.257 44.400 62.265 219 H ARG 31 H ARG 31 51.976 42.014 62.814 220 HA ARG 31 HA ARG 31 53.108 43.167 60.519 221 1HB ARG 31 2HB ARG 31 55.080 42.377 61.222 222 2HB ARG 31 1HB ARG 31 54.084 42.414 62.728 223 1HG ARG 31 2HG ARG 31 53.911 39.707 61.387 224 2HG ARG 31 1HG ARG 31 55.641 40.218 61.653 225 1HD ARG 31 2HD ARG 31 54.925 40.565 64.123 226 2HD ARG 31 1HD ARG 31 53.284 39.926 63.675 227 HE ARG 31 HE ARG 31 54.475 37.949 62.713 228 1HH1 ARG 31 2HH2 ARG 31 55.786 39.690 65.619 229 2HH1 ARG 31 1HH2 ARG 31 56.593 38.270 66.254 230 1HH2 ARG 31 2HH1 ARG 31 55.509 36.154 63.558 231 2HH2 ARG 31 1HH1 ARG 31 56.431 36.252 65.091 232 H LYS 32 H LYS 32 51.218 40.113 60.487 233 HA LYS 32 HA LYS 32 53.000 38.897 58.491 234 1HB LYS 32 2HB LYS 32 51.395 38.066 60.399 235 2HB LYS 32 1HB LYS 32 50.156 38.143 59.106 236 1HG LYS 32 2HG LYS 32 50.982 35.968 58.587 237 2HG LYS 32 1HG LYS 32 52.188 36.937 57.672 238 1HD LYS 32 2HD LYS 32 53.963 36.397 59.119 239 2HD LYS 32 1HD LYS 32 52.929 36.785 60.519 240 1HE LYS 32 2HE LYS 32 52.004 34.264 59.263 241 2HE LYS 32 1HE LYS 32 53.725 34.199 59.866 242 1HZ LYS 32 1HZ LYS 32 51.754 35.445 61.603 243 2HZ LYS 32 3HZ LYS 32 51.719 33.788 61.425 244 3HZ LYS 32 2HZ LYS 32 53.113 34.583 61.956 245 H ILE 33 H ILE 33 50.044 40.854 58.642 246 HA ILE 33 HA ILE 33 50.310 40.949 55.693 247 HB ILE 33 HB ILE 33 47.456 41.164 56.419 248 1HG1 ILE 33 2HG1 ILE 33 47.148 38.664 57.055 249 2HG1 ILE 33 1HG1 ILE 33 48.960 38.622 57.277 250 1HG2 ILE 33 2HG2 ILE 33 48.473 40.654 54.145 251 2HG2 ILE 33 1HG2 ILE 33 49.086 39.104 54.830 252 3HG2 ILE 33 3HG2 ILE 33 47.306 39.371 54.607 253 1HD1 ILE 33 1HD1 ILE 33 48.059 40.945 58.724 254 2HD1 ILE 33 3HD1 ILE 33 46.749 39.702 58.998 255 3HD1 ILE 33 2HD1 ILE 33 48.484 39.309 59.400 256 H ALA 34 H ALA 34 50.685 42.863 58.117 257 HA ALA 34 HA ALA 34 48.991 45.111 56.849 258 1HB ALA 34 2HB ALA 34 49.073 44.379 59.607 259 2HB ALA 34 1HB ALA 34 50.244 45.711 59.495 260 3HB ALA 34 3HB ALA 34 48.538 45.974 58.937 261 H VAL 35 H VAL 35 51.902 43.886 56.448 262 HA VAL 35 HA VAL 35 53.783 45.842 57.076 263 HB VAL 35 HB VAL 35 53.369 44.049 54.653 264 1HG1 VAL 35 2HG1 VAL 35 55.389 46.362 55.091 265 2HG1 VAL 35 1HG1 VAL 35 56.154 44.782 54.686 266 3HG1 VAL 35 3HG1 VAL 35 54.942 45.516 53.580 267 1HG2 VAL 35 2HG2 VAL 35 54.464 43.777 57.340 268 2HG2 VAL 35 1HG2 VAL 35 54.121 42.506 56.122 269 3HG2 VAL 35 3HG2 VAL 35 55.718 43.359 56.043 270 H ARG 36 H ARG 36 51.511 45.524 54.559 271 HA ARG 36 HA ARG 36 50.873 48.228 53.900 272 1HB ARG 36 2HB ARG 36 53.168 48.590 53.010 273 2HB ARG 36 1HB ARG 36 53.096 46.927 52.300 274 1HG ARG 36 2HG ARG 36 52.247 47.782 50.313 275 2HG ARG 36 1HG ARG 36 50.842 48.569 51.236 276 1HD ARG 36 2HD ARG 36 51.771 50.417 50.474 277 2HD ARG 36 1HD ARG 36 52.785 50.230 51.949 278 HE ARG 36 HE ARG 36 54.572 49.328 50.584 279 1HH1 ARG 36 2HH1 ARG 36 51.773 50.479 48.567 280 2HH1 ARG 36 1HH1 ARG 36 52.764 50.502 47.135 281 1HH2 ARG 36 2HH2 ARG 36 55.797 49.427 48.411 282 2HH2 ARG 36 1HH2 ARG 36 54.838 49.972 47.059 283 H LEU 37 H LEU 37 49.222 48.375 52.980 284 HA LEU 37 HA LEU 37 48.292 45.938 51.430 285 1HB LEU 37 2HB LEU 37 46.513 48.352 52.170 286 2HB LEU 37 1HB LEU 37 46.015 46.655 51.867 287 HG LEU 37 HG LEU 37 46.954 47.991 54.358 288 1HD1 LEU 37 3HD1 LEU 37 45.253 45.536 53.641 289 2HD1 LEU 37 2HD1 LEU 37 45.412 46.309 55.330 290 3HD1 LEU 37 1HD1 LEU 37 44.668 47.246 54.016 291 1HD2 LEU 37 1HD2 LEU 37 48.097 45.256 53.345 292 2HD2 LEU 37 3HD2 LEU 37 48.800 46.440 54.516 293 3HD2 LEU 37 2HD2 LEU 37 47.428 45.324 55.038 294 H THR 38 H THR 38 48.065 49.419 51.587 295 HA THR 38 HA THR 38 48.911 49.911 48.828 296 HB THR 38 HB THR 38 46.127 50.132 50.017 297 HG1 THR 38 1HG THR 38 45.840 49.246 47.705 298 1HG2 THR 38 2HG2 THR 38 47.300 51.671 47.541 299 2HG2 THR 38 1HG2 THR 38 45.566 51.171 47.507 300 3HG2 THR 38 3HG2 THR 38 46.171 52.277 48.812 301 H GLN 39 H GLN 39 50.118 50.489 51.455 302 HA GLN 39 HA GLN 39 49.285 53.043 52.198 303 1HB GLN 39 2HB GLN 39 50.787 51.431 53.528 304 2HB GLN 39 1HB GLN 39 52.123 51.951 52.394 305 1HG GLN 39 2HG GLN 39 52.277 53.998 53.359 306 2HG GLN 39 1HG GLN 39 50.451 54.204 53.404 307 1HE2 GLN 39 2HE2 GLN 39 52.592 53.781 56.745 308 2HE2 GLN 39 1HE2 GLN 39 52.987 54.457 55.140 309 H THR 40 H THR 40 49.392 54.807 51.379 310 HA THR 40 HA THR 40 51.536 55.808 49.538 311 HB THR 40 HB THR 40 48.491 56.205 49.533 312 HG1 THR 40 1HG THR 40 49.888 56.329 47.189 313 1HG2 THR 40 2HG2 THR 40 50.671 58.211 48.696 314 2HG2 THR 40 1HG2 THR 40 49.132 58.097 47.713 315 3HG2 THR 40 3HG2 THR 40 49.031 58.453 49.453 316 H LYS 41 H LYS 41 52.435 57.552 49.986 317 HA LYS 41 HA LYS 41 51.353 58.934 52.512 318 1HB LYS 41 2HB LYS 41 53.848 58.110 52.657 319 2HB LYS 41 1HB LYS 41 54.090 58.962 51.054 320 1HG LYS 41 2HG LYS 41 52.992 60.591 53.360 321 2HG LYS 41 1HG LYS 41 54.703 60.032 53.492 322 1HD LYS 41 2HD LYS 41 54.656 61.019 50.896 323 2HD LYS 41 1HD LYS 41 53.280 61.976 51.535 324 1HE LYS 41 2HE LYS 41 55.837 61.887 53.210 325 2HE LYS 41 1HE LYS 41 55.787 62.878 51.671 326 1HZ LYS 41 2HZ LYS 41 53.498 63.607 52.785 327 2HZ LYS 41 1HZ LYS 41 54.262 63.108 54.218 328 3HZ LYS 41 3HZ LYS 41 54.942 64.294 53.304 329 H ILE 42 H ILE 42 50.880 61.016 52.555 330 HA ILE 42 HA ILE 42 51.394 62.499 49.973 331 HB ILE 42 HB ILE 42 48.710 62.617 51.606 332 1HG1 ILE 42 2HG1 ILE 42 48.368 62.124 48.845 333 2HG1 ILE 42 1HG1 ILE 42 49.634 60.901 49.378 334 1HG2 ILE 42 2HG2 ILE 42 49.526 64.096 49.043 335 2HG2 ILE 42 1HG2 ILE 42 47.886 64.041 49.771 336 3HG2 ILE 42 3HG2 ILE 42 49.150 64.789 50.716 337 1HD1 ILE 42 1HD1 ILE 42 48.164 60.525 51.445 338 2HD1 ILE 42 3HD1 ILE 42 46.796 61.338 50.582 339 3HD1 ILE 42 2HD1 ILE 42 47.553 59.770 49.970 340 H ILE 43 H ILE 43 51.343 64.735 50.068 341 HA ILE 43 HA ILE 43 51.771 65.905 52.871 342 HB ILE 43 HB ILE 43 53.756 65.145 51.491 343 1HG1 ILE 43 2HG1 ILE 43 53.696 68.144 52.237 344 2HG1 ILE 43 1HG1 ILE 43 53.678 66.762 53.450 345 1HG2 ILE 43 3HG2 ILE 43 52.806 66.598 49.326 346 2HG2 ILE 43 2HG2 ILE 43 53.682 67.928 50.255 347 3HG2 ILE 43 1HG2 ILE 43 54.567 66.446 49.686 348 1HD1 ILE 43 1HD1 ILE 43 55.715 66.705 51.219 349 2HD1 ILE 43 3HD1 ILE 43 56.057 67.960 52.499 350 3HD1 ILE 43 2HD1 ILE 43 55.916 66.240 52.945 351 H VAL 44 H VAL 44 50.603 67.593 53.231 352 HA VAL 44 HA VAL 44 49.516 69.118 50.784 353 HB VAL 44 HB VAL 44 48.120 68.904 53.425 354 1HG1 VAL 44 1HG1 VAL 44 47.811 70.392 51.065 355 2HG1 VAL 44 3HG1 VAL 44 46.648 68.991 50.877 356 3HG1 VAL 44 2HG1 VAL 44 46.501 70.122 52.295 357 1HG2 VAL 44 2HG2 VAL 44 47.910 67.133 50.865 358 2HG2 VAL 44 1HG2 VAL 44 48.366 66.473 52.482 359 3HG2 VAL 44 3HG2 VAL 44 46.685 67.028 52.206 360 H GLN 45 H GLN 45 51.957 69.980 51.919 361 HA GLN 45 HA GLN 45 51.622 71.841 54.032 362 1HB GLN 45 2HB GLN 45 53.752 71.046 52.996 363 2HB GLN 45 1HB GLN 45 53.412 72.054 51.524 364 1HG GLN 45 2HG GLN 45 53.002 73.587 54.015 365 2HG GLN 45 1HG GLN 45 54.673 72.748 54.016 366 1HE2 GLN 45 1HE2 GLN 45 54.783 76.195 52.436 367 2HE2 GLN 45 2HE2 GLN 45 54.331 75.391 54.084 368 H ASP 46 H ASP 46 50.104 73.257 54.243 369 HA ASP 46 HA ASP 46 49.673 74.962 51.802 370 1HB ASP 46 2HB ASP 46 47.945 73.169 52.498 371 2HB ASP 46 1HB ASP 46 47.546 74.205 53.943 372 H GLY 47 H GLY 47 51.184 75.349 54.534 373 1HA GLY 47 1HA GLY 47 51.756 77.649 55.249 374 2HA GLY 47 2HA GLY 47 50.059 78.198 54.813 375 H ASP 48 H ASP 48 52.187 77.133 57.158 376 HA ASP 48 HA ASP 48 51.913 77.030 59.516 377 1HB ASP 48 2HB ASP 48 48.911 77.628 59.235 378 2HB ASP 48 1HB ASP 48 50.132 78.194 60.516 379 H ASN 49 H ASN 49 48.791 75.997 58.148 380 HA ASN 49 HA ASN 49 48.877 73.458 59.763 381 1HB ASN 49 2HB ASN 49 46.563 74.472 57.997 382 2HB ASN 49 1HB ASN 49 46.530 73.304 59.450 383 1HD2 ASN 49 2HD2 ASN 49 45.787 75.891 61.592 384 2HD2 ASN 49 1HD2 ASN 49 45.846 74.064 61.202 385 H PHE 50 H PHE 50 50.492 72.514 58.722 386 HA PHE 50 HA PHE 50 50.125 71.596 55.919 387 1HB PHE 50 2HB PHE 50 52.210 72.544 56.184 388 2HB PHE 50 1HB PHE 50 52.441 71.880 57.866 389 HD1 PHE 50 HD1 PHE 50 51.206 70.040 54.850 390 HD2 PHE 50 HD2 PHE 50 54.320 70.626 57.725 391 HE1 PHE 50 HE1 PHE 50 52.334 67.970 54.024 392 HE2 PHE 50 HE2 PHE 50 55.490 68.561 56.925 393 HZ PHE 50 HZ PHE 50 54.474 67.277 55.104 394 H LYS 51 H LYS 51 48.956 69.797 55.671 395 HA LYS 51 HA LYS 51 49.449 67.792 57.836 396 1HB LYS 51 2HB LYS 51 46.949 68.021 56.146 397 2HB LYS 51 1HB LYS 51 47.214 67.003 57.610 398 1HG LYS 51 2HG LYS 51 46.704 68.870 59.030 399 2HG LYS 51 1HG LYS 51 47.672 70.018 57.982 400 1HD LYS 51 2HD LYS 51 45.849 69.865 56.345 401 2HD LYS 51 1HD LYS 51 44.900 68.740 57.438 402 1HE LYS 51 2HE LYS 51 45.844 71.568 58.175 403 2HE LYS 51 1HE LYS 51 44.132 71.167 57.532 404 1HZ LYS 51 1HZ LYS 51 44.193 69.528 59.501 405 2HZ LYS 51 3HZ LYS 51 45.522 70.330 60.070 406 3HZ LYS 51 2HZ LYS 51 44.059 71.145 59.931 407 H THR 52 H THR 52 50.882 66.477 57.065 408 HA THR 52 HA THR 52 50.596 65.271 54.323 409 HB THR 52 HB THR 52 52.365 65.114 56.824 410 HG1 THR 52 1HG THR 52 53.040 65.986 55.062 411 1HG2 THR 52 1HG2 THR 52 51.459 62.635 56.612 412 2HG2 THR 52 3HG2 THR 52 52.289 62.633 54.976 413 3HG2 THR 52 2HG2 THR 52 53.242 62.874 56.468 414 H LYS 53 H LYS 53 50.352 62.770 54.195 415 HA LYS 53 HA LYS 53 48.795 61.560 56.349 416 1HB LYS 53 2HB LYS 53 46.847 62.880 56.004 417 2HB LYS 53 1HB LYS 53 47.375 63.321 54.327 418 1HG LYS 53 2HG LYS 53 46.459 60.476 54.746 419 2HG LYS 53 1HG LYS 53 45.238 61.881 54.713 420 1HD LYS 53 2HD LYS 53 47.428 61.806 52.730 421 2HD LYS 53 1HD LYS 53 45.979 60.748 52.435 422 1HE LYS 53 2HE LYS 53 45.856 63.798 52.989 423 2HE LYS 53 1HE LYS 53 45.768 63.028 51.317 424 1HZ LYS 53 3HZ LYS 53 43.969 61.607 52.725 425 2HZ LYS 53 2HZ LYS 53 43.742 63.068 53.456 426 3HZ LYS 53 1HZ LYS 53 43.597 62.965 51.806 427 H THR 54 H THR 54 48.208 59.701 56.147 428 HA THR 54 HA THR 54 49.461 58.305 53.825 429 HB THR 54 HB THR 54 50.230 57.846 56.087 430 HG1 THR 54 1HG THR 54 49.773 56.301 53.998 431 1HG2 THR 54 2HG2 THR 54 47.832 57.571 57.162 432 2HG2 THR 54 1HG2 THR 54 47.653 56.101 56.090 433 3HG2 THR 54 3HG2 THR 54 48.808 56.081 57.465 434 H ASN 55 H ASN 55 48.279 57.312 52.345 435 HA ASN 55 HA ASN 55 45.314 57.180 52.797 436 1HB ASN 55 2HB ASN 55 46.554 58.396 50.896 437 2HB ASN 55 1HB ASN 55 46.499 56.722 50.048 438 1HD2 ASN 55 1HD2 ASN 55 43.463 59.202 49.754 439 2HD2 ASN 55 2HD2 ASN 55 45.288 59.526 49.930 440 H SER 56 H SER 56 46.888 55.385 54.054 441 HA SER 56 HA SER 56 46.657 52.691 52.827 442 1HB SER 56 2HB SER 56 46.912 53.203 55.831 443 2HB SER 56 1HB SER 56 47.816 52.027 54.668 444 HG SER 56 HG SER 56 48.925 53.884 55.610 445 H THR 57 H THR 57 44.826 52.031 52.465 446 HA THR 57 HA THR 57 42.324 52.875 53.514 447 HB THR 57 HB THR 57 43.190 51.100 51.591 448 HG1 THR 57 1HG THR 57 40.868 52.218 52.387 449 1HG2 THR 57 3HG2 THR 57 41.430 49.659 53.748 450 2HG2 THR 57 2HG2 THR 57 41.531 49.080 52.042 451 3HG2 THR 57 1HG2 THR 57 43.013 49.123 53.088 452 H PHE 58 H PHE 58 44.658 50.518 54.590 453 HA PHE 58 HA PHE 58 42.937 49.502 56.829 454 1HB PHE 58 2HB PHE 58 44.492 47.959 57.406 455 2HB PHE 58 1HB PHE 58 44.864 48.269 55.634 456 HD1 PHE 58 HD2 PHE 58 46.533 50.255 55.178 457 HD2 PHE 58 HD1 PHE 58 46.415 47.844 58.766 458 HE1 PHE 58 HE2 PHE 58 48.867 50.763 55.635 459 HE2 PHE 58 HE1 PHE 58 48.779 48.361 59.214 460 HZ PHE 58 HZ PHE 58 50.026 49.881 57.588 461 H ARG 59 H ARG 59 45.108 52.110 56.374 462 HA ARG 59 HA ARG 59 44.206 53.098 59.029 463 1HB ARG 59 2HB ARG 59 46.034 51.079 59.362 464 2HB ARG 59 1HB ARG 59 47.160 52.513 59.169 465 1HG ARG 59 2HG ARG 59 46.866 52.528 61.417 466 2HG ARG 59 1HG ARG 59 45.416 53.591 60.922 467 1HD ARG 59 2HD ARG 59 44.471 52.166 62.473 468 2HD ARG 59 1HD ARG 59 44.165 51.233 60.994 469 HE ARG 59 HE ARG 59 46.708 50.357 61.618 470 1HH1 ARG 59 2HH2 ARG 59 43.721 50.727 63.539 471 2HH1 ARG 59 1HH2 ARG 59 44.062 49.444 64.631 472 1HH2 ARG 59 2HH1 ARG 59 47.137 48.520 63.267 473 2HH2 ARG 59 1HH1 ARG 59 45.960 48.248 64.487 474 H ASN 60 H ASN 60 43.805 54.837 58.349 475 HA ASN 60 HA ASN 60 46.021 56.591 57.367 476 1HB ASN 60 2HB ASN 60 43.144 57.633 57.314 477 2HB ASN 60 1HB ASN 60 44.413 57.668 55.991 478 1HD2 ASN 60 2HD2 ASN 60 42.870 55.149 54.298 479 2HD2 ASN 60 1HD2 ASN 60 43.873 56.621 54.392 480 H TYR 61 H TYR 61 46.871 56.938 59.192 481 HA TYR 61 HA TYR 61 45.314 57.727 61.538 482 1HB TYR 61 2HB TYR 61 47.798 56.658 61.190 483 2HB TYR 61 1HB TYR 61 48.301 58.409 61.290 484 HD1 TYR 61 HD2 TYR 61 45.980 56.011 63.058 485 HD2 TYR 61 HD1 TYR 61 48.872 59.182 63.386 486 HE1 TYR 61 HE2 TYR 61 45.783 55.907 65.520 487 HE2 TYR 61 HE1 TYR 61 48.711 59.110 65.856 488 HH TYR 61 HH TYR 61 46.460 58.132 67.410 489 H ASP 62 H ASP 62 47.012 59.139 58.902 490 HA ASP 62 HA ASP 62 46.976 61.339 57.939 491 1HB ASP 62 2HB ASP 62 44.569 61.166 59.026 492 2HB ASP 62 1HB ASP 62 45.383 62.370 60.241 493 H LEU 63 H LEU 63 48.595 62.746 58.001 494 HA LEU 63 HA LEU 63 49.796 63.396 60.693 495 1HB LEU 63 2HB LEU 63 51.247 62.489 58.614 496 2HB LEU 63 1HB LEU 63 50.794 64.063 57.827 497 HG LEU 63 HG LEU 63 52.079 65.348 59.250 498 1HD1 LEU 63 1HD1 LEU 63 51.885 63.007 61.239 499 2HD1 LEU 63 3HD1 LEU 63 52.979 64.420 61.529 500 3HD1 LEU 63 2HD1 LEU 63 51.178 64.673 61.313 501 1HD2 LEU 63 1HD2 LEU 63 53.372 62.524 58.921 502 2HD2 LEU 63 3HD2 LEU 63 53.719 64.050 57.976 503 3HD2 LEU 63 2HD2 LEU 63 54.244 63.845 59.728 504 H ASP 64 H ASP 64 47.534 64.599 60.722 505 HA ASP 64 HA ASP 64 47.883 67.286 59.417 506 1HB ASP 64 2HB ASP 64 45.481 67.444 60.235 507 2HB ASP 64 1HB ASP 64 45.819 65.945 59.115 508 H PHE 65 H PHE 65 49.344 68.318 60.511 509 HA PHE 65 HA PHE 65 48.526 69.142 63.257 510 1HB PHE 65 2HB PHE 65 51.075 69.252 63.875 511 2HB PHE 65 1HB PHE 65 50.397 67.598 63.548 512 HD1 PHE 65 HD2 PHE 65 51.901 70.545 61.682 513 HD2 PHE 65 HD1 PHE 65 51.697 66.249 62.210 514 HE1 PHE 65 HE2 PHE 65 53.627 70.256 59.955 515 HE2 PHE 65 HE1 PHE 65 53.422 66.011 60.493 516 HZ PHE 65 HZ PHE 65 54.397 68.002 59.342 517 H THR 66 H THR 66 50.175 71.128 63.705 518 HA THR 66 HA THR 66 50.202 72.939 61.271 519 HB THR 66 HB THR 66 48.655 73.123 63.792 520 HG1 THR 66 1HG THR 66 47.563 74.471 62.447 521 1HG2 THR 66 3HG2 THR 66 50.729 74.884 64.086 522 2HG2 THR 66 2HG2 THR 66 50.145 75.566 62.537 523 3HG2 THR 66 1HG2 THR 66 49.069 75.643 64.012 524 H VAL 67 H VAL 67 51.933 74.579 61.477 525 HA VAL 67 HA VAL 67 54.217 73.315 62.907 526 HB VAL 67 HB VAL 67 54.252 74.450 60.649 527 1HG1 VAL 67 3HG1 VAL 67 54.393 76.906 62.479 528 2HG1 VAL 67 2HG1 VAL 67 54.806 76.903 60.691 529 3HG1 VAL 67 1HG1 VAL 67 53.086 76.620 61.187 530 1HG2 VAL 67 1HG2 VAL 67 56.201 75.005 62.938 531 2HG2 VAL 67 3HG2 VAL 67 56.349 73.981 61.466 532 3HG2 VAL 67 2HG2 VAL 67 56.471 75.803 61.342 533 H GLY 68 H GLY 68 55.135 73.705 64.623 534 1HA GLY 68 1HA GLY 68 55.687 74.784 66.611 535 2HA GLY 68 2HA GLY 68 54.931 76.318 65.919 536 H VAL 69 H VAL 69 52.926 73.445 66.185 537 HA VAL 69 HA VAL 69 51.035 74.898 67.864 538 HB VAL 69 HB VAL 69 51.493 72.032 66.838 539 1HG1 VAL 69 1HG1 VAL 69 50.490 71.723 69.082 540 2HG1 VAL 69 3HG1 VAL 69 49.147 72.894 68.610 541 3HG1 VAL 69 2HG1 VAL 69 49.318 71.255 67.856 542 1HG2 VAL 69 1HG2 VAL 69 49.625 74.370 66.289 543 2HG2 VAL 69 3HG2 VAL 69 50.327 73.193 65.069 544 3HG2 VAL 69 2HG2 VAL 69 48.900 72.758 66.147 545 H GLU 70 H GLU 70 53.760 72.781 68.100 546 HA GLU 70 HA GLU 70 54.676 71.700 70.020 547 1HB GLU 70 2HB GLU 70 54.828 74.259 70.665 548 2HB GLU 70 1HB GLU 70 53.329 73.881 71.713 549 1HG GLU 70 2HG GLU 70 55.061 71.826 72.315 550 2HG GLU 70 1HG GLU 70 56.202 73.297 72.225 551 H PHE 71 H PHE 71 53.452 70.168 69.527 552 HA PHE 71 HA PHE 71 50.900 69.458 70.369 553 1HB PHE 71 2HB PHE 71 53.417 67.886 70.043 554 2HB PHE 71 1HB PHE 71 52.167 67.023 71.010 555 HD1 PHE 71 HD1 PHE 71 52.415 68.989 67.871 556 HD2 PHE 71 HD2 PHE 71 50.551 65.768 69.850 557 HE1 PHE 71 HE1 PHE 71 51.245 68.465 65.791 558 HE2 PHE 71 HE2 PHE 71 49.303 65.141 67.762 559 HZ PHE 71 HZ PHE 71 49.673 66.542 65.696 560 H ASP 72 H ASP 72 49.893 68.490 72.006 561 HA ASP 72 HA ASP 72 51.231 68.755 74.687 562 1HB ASP 72 2HB ASP 72 48.360 68.951 73.673 563 2HB ASP 72 1HB ASP 72 48.665 68.719 75.500 564 H GLU 73 H GLU 73 52.040 66.458 73.615 565 HA GLU 73 HA GLU 73 51.725 64.143 73.352 566 1HB GLU 73 2HB GLU 73 52.635 63.434 75.609 567 2HB GLU 73 1HB GLU 73 53.184 65.127 75.338 568 1HG GLU 73 2HG GLU 73 50.660 65.446 76.324 569 2HG GLU 73 1HG GLU 73 51.334 63.994 77.310 570 H HIS 74 H HIS 74 49.904 63.963 72.505 571 HA HIS 74 HA HIS 74 48.247 62.110 74.014 572 1HB HIS 74 2HB HIS 74 47.569 64.419 74.766 573 2HB HIS 74 1HB HIS 74 47.058 64.769 73.041 574 HD1 HIS 74 HD1 HIS 74 46.026 62.487 76.023 575 HD2 HIS 74 HD2 HIS 74 44.884 63.644 72.118 576 HE1 HIS 74 HE1 HIS 74 43.696 61.469 75.605 577 HE2 HIS 74 HE2 HIS 74 42.969 62.153 73.244 578 H THR 75 H THR 75 47.504 60.690 72.903 579 HA THR 75 HA THR 75 46.053 60.981 70.430 580 HB THR 75 HB THR 75 47.881 60.807 69.095 581 HG1 THR 75 1HG THR 75 48.497 58.539 68.871 582 1HG2 THR 75 3HG2 THR 75 49.475 60.603 71.439 583 2HG2 THR 75 2HG2 THR 75 49.114 58.848 71.299 584 3HG2 THR 75 1HG2 THR 75 50.136 59.685 70.064 585 H LYS 76 H LYS 76 45.509 58.912 69.513 586 HA LYS 76 HA LYS 76 45.366 56.547 71.367 587 1HB LYS 76 2HB LYS 76 43.057 58.513 70.791 588 2HB LYS 76 1HB LYS 76 42.798 56.711 70.660 589 1HG LYS 76 2HG LYS 76 42.419 56.847 72.947 590 2HG LYS 76 1HG LYS 76 44.250 56.844 72.994 591 1HD LYS 76 2HD LYS 76 43.924 58.672 74.204 592 2HD LYS 76 1HD LYS 76 43.990 59.414 72.535 593 1HE LYS 76 2HE LYS 76 41.649 59.090 74.517 594 2HE LYS 76 1HE LYS 76 42.041 60.471 73.393 595 1HZ LYS 76 3HZ LYS 76 41.320 58.530 71.639 596 2HZ LYS 76 2HZ LYS 76 40.329 58.205 72.930 597 3HZ LYS 76 1HZ LYS 76 40.378 59.725 72.215 598 H GLY 77 H GLY 77 44.372 54.850 70.674 599 1HA GLY 77 1HA GLY 77 43.538 53.257 69.151 600 2HA GLY 77 2HA GLY 77 43.852 54.430 67.775 601 H LEU 78 H LEU 78 46.513 54.757 69.377 602 HA LEU 78 HA LEU 78 47.930 52.535 67.929 603 1HB LEU 78 2HB LEU 78 48.025 54.778 66.902 604 2HB LEU 78 1HB LEU 78 49.016 55.347 68.361 605 HG LEU 78 HG LEU 78 50.244 53.035 67.649 606 1HD1 LEU 78 2HD1 LEU 78 48.606 53.057 65.540 607 2HD1 LEU 78 1HD1 LEU 78 49.833 54.244 64.871 608 3HD1 LEU 78 3HD1 LEU 78 50.353 52.578 65.387 609 1HD2 LEU 78 2HD2 LEU 78 50.968 55.729 67.727 610 2HD2 LEU 78 1HD2 LEU 78 52.043 54.467 66.944 611 3HD2 LEU 78 3HD2 LEU 78 50.963 55.527 65.940 612 H ASP 79 H ASP 79 48.760 55.174 70.364 613 HA ASP 79 HA ASP 79 50.239 52.973 71.809 614 1HB ASP 79 2HB ASP 79 51.625 54.724 70.662 615 2HB ASP 79 1HB ASP 79 50.879 55.963 71.831 616 H GLY 80 H GLY 80 48.941 56.224 72.249 617 1HA GLY 80 1HA GLY 80 47.228 56.933 73.717 618 2HA GLY 80 2HA GLY 80 47.597 55.543 74.854 619 H ARG 81 H ARG 81 48.879 58.176 73.116 620 HA ARG 81 HA ARG 81 49.493 60.229 74.782 621 1HB ARG 81 2HB ARG 81 50.707 59.460 76.491 622 2HB ARG 81 1HB ARG 81 51.349 57.947 75.620 623 1HG ARG 81 2HG ARG 81 52.957 59.598 74.387 624 2HG ARG 81 1HG ARG 81 52.215 60.890 75.418 625 1HD ARG 81 2HD ARG 81 53.555 58.375 76.510 626 2HD ARG 81 1HD ARG 81 54.489 59.886 76.191 627 HE ARG 81 HE ARG 81 53.235 61.055 77.835 628 1HH1 ARG 81 2HH2 ARG 81 52.685 57.407 77.922 629 2HH1 ARG 81 1HH2 ARG 81 52.113 57.501 79.576 630 1HH2 ARG 81 1HH1 ARG 81 52.431 60.934 80.050 631 2HH2 ARG 81 2HH1 ARG 81 51.967 59.367 80.740 632 H ASN 82 H ASN 82 50.968 61.893 73.824 633 HA ASN 82 HA ASN 82 52.231 60.801 71.417 634 1HB ASN 82 2HB ASN 82 49.911 62.438 71.379 635 2HB ASN 82 1HB ASN 82 51.278 63.574 70.867 636 1HD2 ASN 82 2HD2 ASN 82 49.787 61.482 68.151 637 2HD2 ASN 82 1HD2 ASN 82 49.037 62.384 69.468 638 H VAL 83 H VAL 83 52.850 62.207 74.213 639 HA VAL 83 HA VAL 83 54.612 63.644 75.035 640 HB VAL 83 HB VAL 83 55.496 63.170 72.198 641 1HG1 VAL 83 1HG1 VAL 83 57.018 63.708 74.787 642 2HG1 VAL 83 3HG1 VAL 83 57.878 62.731 73.508 643 3HG1 VAL 83 2HG1 VAL 83 57.264 64.438 73.158 644 1HG2 VAL 83 3HG2 VAL 83 55.163 61.286 74.550 645 2HG2 VAL 83 2HG2 VAL 83 55.211 60.923 72.762 646 3HG2 VAL 83 1HG2 VAL 83 56.780 61.115 73.651 647 H LYS 84 H LYS 84 56.158 65.458 74.428 648 HA LYS 84 HA LYS 84 54.684 67.671 73.258 649 1HB LYS 84 2HB LYS 84 57.168 67.226 74.793 650 2HB LYS 84 1HB LYS 84 57.402 68.487 73.522 651 1HG LYS 84 2HG LYS 84 56.533 69.482 75.667 652 2HG LYS 84 1HG LYS 84 55.371 69.659 74.207 653 1HD LYS 84 2HD LYS 84 53.963 69.030 75.984 654 2HD LYS 84 1HD LYS 84 54.232 67.462 75.175 655 1HE LYS 84 2HE LYS 84 54.791 66.837 77.452 656 2HE LYS 84 1HE LYS 84 56.405 67.413 76.894 657 1HZ LYS 84 1HZ LYS 84 54.703 69.598 77.840 658 2HZ LYS 84 3HZ LYS 84 55.046 68.453 78.970 659 3HZ LYS 84 2HZ LYS 84 56.277 69.292 78.159 660 H THR 85 H THR 85 54.300 66.816 71.339 661 HA THR 85 HA THR 85 56.566 66.357 69.445 662 HB THR 85 HB THR 85 53.577 65.853 69.571 663 HG1 THR 85 1HG THR 85 55.281 64.886 70.752 664 1HG2 THR 85 3HG2 THR 85 54.738 66.086 66.953 665 2HG2 THR 85 2HG2 THR 85 55.616 64.572 67.581 666 3HG2 THR 85 1HG2 THR 85 53.859 64.558 67.479 667 H LEU 86 H LEU 86 57.142 68.444 69.846 668 HA LEU 86 HA LEU 86 55.797 70.677 68.658 669 1HB LEU 86 2HB LEU 86 57.815 70.870 70.200 670 2HB LEU 86 1HB LEU 86 58.809 70.038 68.889 671 HG LEU 86 HG LEU 86 57.496 72.461 67.830 672 1HD1 LEU 86 3HD1 LEU 86 57.991 72.800 70.517 673 2HD1 LEU 86 2HD1 LEU 86 59.696 72.812 69.962 674 3HD1 LEU 86 1HD1 LEU 86 58.559 74.059 69.285 675 1HD2 LEU 86 2HD2 LEU 86 59.487 70.974 67.072 676 2HD2 LEU 86 1HD2 LEU 86 59.831 72.781 67.026 677 3HD2 LEU 86 3HD2 LEU 86 60.462 71.756 68.368 678 H VAL 87 H VAL 87 56.167 71.667 66.643 679 HA VAL 87 HA VAL 87 57.511 70.042 64.573 680 HB VAL 87 HB VAL 87 54.768 71.550 64.379 681 1HG1 VAL 87 2HG1 VAL 87 56.423 70.230 62.221 682 2HG1 VAL 87 1HG1 VAL 87 54.752 70.791 61.978 683 3HG1 VAL 87 3HG1 VAL 87 56.028 72.001 62.413 684 1HG2 VAL 87 1HG2 VAL 87 55.408 68.664 64.822 685 2HG2 VAL 87 3HG2 VAL 87 53.799 69.425 64.707 686 3HG2 VAL 87 2HG2 VAL 87 54.675 68.880 63.181 687 H THR 88 H THR 88 58.491 71.119 62.981 688 HA THR 88 HA THR 88 58.340 74.042 62.753 689 HB THR 88 HB THR 88 59.652 74.063 64.685 690 HG1 THR 88 1HG THR 88 61.801 74.482 63.923 691 1HG2 THR 88 2HG2 THR 88 60.177 71.408 64.594 692 2HG2 THR 88 1HG2 THR 88 61.471 71.896 63.470 693 3HG2 THR 88 3HG2 THR 88 61.490 72.525 65.199 694 H TRP 89 H TRP 89 60.118 74.813 61.411 695 HA TRP 89 HA TRP 89 60.472 73.186 58.910 696 1HB TRP 89 2HB TRP 89 60.558 76.109 59.834 697 2HB TRP 89 1HB TRP 89 61.230 75.715 58.202 698 HD1 TRP 89 HD1 TRP 89 57.919 76.550 59.729 699 HE1 TRP 89 HE1 TRP 89 56.143 75.444 58.267 700 HE3 TRP 89 HE3 TRP 89 60.878 73.632 57.007 701 HZ2 TRP 89 HZ2 TRP 89 56.034 73.387 56.086 702 HZ3 TRP 89 HZ3 TRP 89 60.023 72.083 55.281 703 HH2 TRP 89 HH2 TRP 89 57.687 72.025 54.940 704 H GLU 90 H GLU 90 62.703 72.975 57.925 705 HA GLU 90 HA GLU 90 64.629 73.171 60.208 706 1HB GLU 90 2HB GLU 90 63.787 71.029 58.873 707 2HB GLU 90 1HB GLU 90 64.966 71.610 57.632 708 1HG GLU 90 2HG GLU 90 66.252 71.516 60.359 709 2HG GLU 90 1HG GLU 90 65.412 69.913 59.864 710 H GLY 91 H GLY 91 64.275 73.240 56.803 711 1HA GLY 91 1HA GLY 91 65.171 75.512 55.858 712 2HA GLY 91 2HA GLY 91 66.789 74.646 56.073 713 H ASN 92 H ASN 92 63.729 74.770 54.807 714 HA ASN 92 HA ASN 92 62.436 74.030 53.121 715 1HB ASN 92 2HB ASN 92 63.415 72.920 51.097 716 2HB ASN 92 1HB ASN 92 64.182 74.589 51.539 717 1HD2 ASN 92 1HD2 ASN 92 67.339 73.367 51.825 718 2HD2 ASN 92 2HD2 ASN 92 66.176 74.700 51.713 719 H THR 93 H THR 93 62.408 72.702 55.326 720 HA THR 93 HA THR 93 61.035 70.360 54.702 721 HB THR 93 HB THR 93 63.655 69.512 54.510 722 HG1 THR 93 1HG THR 93 62.031 67.746 55.643 723 1HG2 THR 93 1HG2 THR 93 63.774 70.063 57.170 724 2HG2 THR 93 3HG2 THR 93 62.650 68.655 57.333 725 3HG2 THR 93 2HG2 THR 93 64.234 68.380 56.571 726 H LEU 94 H LEU 94 60.387 69.070 56.166 727 HA LEU 94 HA LEU 94 59.598 70.452 58.652 728 1HB LEU 94 2HB LEU 94 57.947 69.501 56.969 729 2HB LEU 94 1HB LEU 94 58.539 67.869 57.469 730 HG LEU 94 HG LEU 94 58.223 68.892 59.934 731 1HD1 LEU 94 1HD1 LEU 94 56.820 70.826 58.334 732 2HD1 LEU 94 3HD1 LEU 94 55.514 69.710 58.997 733 3HD1 LEU 94 2HD1 LEU 94 56.676 70.560 60.112 734 1HD2 LEU 94 3HD2 LEU 94 56.008 67.427 58.390 735 2HD2 LEU 94 2HD2 LEU 94 57.464 66.732 59.328 736 3HD2 LEU 94 1HD2 LEU 94 56.162 67.691 60.142 737 H VAL 95 H VAL 95 59.853 69.935 60.536 738 HA VAL 95 HA VAL 95 61.284 67.467 61.376 739 HB VAL 95 HB VAL 95 61.680 70.473 62.042 740 1HG1 VAL 95 2HG1 VAL 95 62.511 68.080 63.640 741 2HG1 VAL 95 1HG1 VAL 95 63.813 69.308 63.438 742 3HG1 VAL 95 3HG1 VAL 95 62.187 69.833 64.005 743 1HG2 VAL 95 3HG2 VAL 95 63.030 68.962 60.003 744 2HG2 VAL 95 2HG2 VAL 95 63.591 70.532 60.743 745 3HG2 VAL 95 1HG2 VAL 95 64.183 68.956 61.455 746 H CYS 96 H CYS 96 60.577 66.705 63.259 747 HA CYS 96 HA CYS 96 59.289 68.569 65.195 748 1HB CYS 96 2HB CYS 96 57.142 67.664 64.678 749 2HB CYS 96 1HB CYS 96 57.868 66.324 63.767 750 HG CYS 96 HG CYS 96 58.183 64.658 65.612 751 H VAL 97 H VAL 97 59.392 67.922 67.332 752 HA VAL 97 HA VAL 97 61.359 65.746 67.816 753 HB VAL 97 HB VAL 97 61.129 68.296 69.450 754 1HG1 VAL 97 1HG1 VAL 97 62.737 65.942 69.615 755 2HG1 VAL 97 3HG1 VAL 97 63.831 67.224 68.924 756 3HG1 VAL 97 2HG1 VAL 97 63.073 67.453 70.568 757 1HG2 VAL 97 1HG2 VAL 97 62.757 67.838 66.876 758 2HG2 VAL 97 3HG2 VAL 97 61.434 69.024 67.097 759 3HG2 VAL 97 2HG2 VAL 97 63.004 69.271 68.007 760 H GLN 98 H GLN 98 59.675 64.345 68.426 761 HA GLN 98 HA GLN 98 57.848 64.793 70.652 762 1HB GLN 98 2HB GLN 98 59.336 62.290 69.654 763 2HB GLN 98 1HB GLN 98 58.065 62.225 70.948 764 1HG GLN 98 2HG GLN 98 56.931 63.823 68.816 765 2HG GLN 98 1HG GLN 98 57.647 62.400 67.982 766 1HE2 GLN 98 1HE2 GLN 98 54.458 61.221 68.520 767 2HE2 GLN 98 2HE2 GLN 98 55.618 62.083 67.461 768 H LYS 99 H LYS 99 58.490 65.766 72.240 769 HA LYS 99 HA LYS 99 60.832 64.411 73.729 770 1HB LYS 99 2HB LYS 99 61.223 66.591 72.327 771 2HB LYS 99 1HB LYS 99 60.597 67.474 73.737 772 1HG LYS 99 2HG LYS 99 62.918 67.370 74.127 773 2HG LYS 99 1HG LYS 99 62.424 65.969 75.144 774 1HD LYS 99 2HD LYS 99 62.994 64.472 73.071 775 2HD LYS 99 1HD LYS 99 63.473 65.981 72.191 776 1HE LYS 99 2HE LYS 99 64.701 66.073 74.820 777 2HE LYS 99 1HE LYS 99 64.802 64.368 74.258 778 1HZ LYS 99 2HZ LYS 99 65.696 66.754 72.698 779 2HZ LYS 99 1HZ LYS 99 66.749 65.776 73.561 780 3HZ LYS 99 3HZ LYS 99 65.888 65.151 72.249 781 H GLY 100 H GLY 100 59.259 63.529 75.053 782 1HA GLY 100 1HA GLY 100 58.803 65.362 77.366 783 2HA GLY 100 2HA GLY 100 57.250 64.703 76.686 784 H GLU 101 H GLU 101 57.574 62.325 76.160 785 HA GLU 101 HA GLU 101 58.449 60.928 78.680 786 1HB GLU 101 2HB GLU 101 56.103 60.752 76.893 787 2HB GLU 101 1HB GLU 101 57.133 59.284 76.563 788 1HG GLU 101 2HG GLU 101 57.050 59.777 79.445 789 2HG GLU 101 1HG GLU 101 55.321 59.812 78.769 790 H LYS 102 H LYS 102 58.996 58.768 78.463 791 HA LYS 102 HA LYS 102 61.503 58.109 77.973 792 1HB LYS 102 2HB LYS 102 60.013 56.479 78.795 793 2HB LYS 102 1HB LYS 102 58.951 56.559 77.299 794 1HG LYS 102 2HG LYS 102 61.810 55.800 76.694 795 2HG LYS 102 1HG LYS 102 61.026 54.673 77.821 796 1HD LYS 102 2HD LYS 102 59.079 55.352 75.750 797 2HD LYS 102 1HD LYS 102 60.587 54.685 75.045 798 1HE LYS 102 2HE LYS 102 59.183 53.297 77.457 799 2HE LYS 102 1HE LYS 102 58.751 53.044 75.702 800 1HZ LYS 102 1HZ LYS 102 61.176 52.428 75.418 801 2HZ LYS 102 3HZ LYS 102 61.430 52.646 77.033 802 3HZ LYS 102 2HZ LYS 102 60.395 51.465 76.474 803 H GLU 103 H GLU 103 59.129 57.368 75.585 804 HA GLU 103 HA GLU 103 60.797 56.597 73.450 805 1HB GLU 103 2HB GLU 103 58.738 56.788 72.069 806 2HB GLU 103 1HB GLU 103 58.340 56.178 73.743 807 1HG GLU 103 2HG GLU 103 58.144 58.800 74.230 808 2HG GLU 103 1HG GLU 103 57.664 58.842 72.438 809 H ASN 104 H ASN 104 61.350 57.253 71.689 810 HA ASN 104 HA ASN 104 61.536 60.143 71.052 811 1HB ASN 104 2HB ASN 104 63.171 57.616 70.254 812 2HB ASN 104 1HB ASN 104 63.603 59.301 69.640 813 1HD2 ASN 104 2HD2 ASN 104 65.951 59.157 72.223 814 2HD2 ASN 104 1HD2 ASN 104 65.599 58.839 70.375 815 H ARG 105 H ARG 105 59.541 60.163 70.164 816 HA ARG 105 HA ARG 105 58.944 58.280 67.977 817 1HB ARG 105 2HB ARG 105 57.147 59.910 69.813 818 2HB ARG 105 1HB ARG 105 56.544 59.067 68.322 819 1HG ARG 105 2HG ARG 105 58.265 57.594 70.329 820 2HG ARG 105 1HG ARG 105 56.477 57.892 70.634 821 1HD ARG 105 2HD ARG 105 56.672 57.114 67.915 822 2HD ARG 105 1HD ARG 105 57.653 55.860 68.803 823 HE ARG 105 HE ARG 105 55.731 55.574 70.312 824 1HH1 ARG 105 1HH2 ARG 105 54.905 57.184 67.009 825 2HH1 ARG 105 2HH2 ARG 105 53.246 56.638 67.213 826 1HH2 ARG 105 1HH1 ARG 105 53.598 55.058 70.258 827 2HH2 ARG 105 2HH1 ARG 105 52.487 55.487 68.962 828 H GLY 106 H GLY 106 60.364 60.923 68.500 829 1HA GLY 106 1HA GLY 106 59.293 63.109 66.965 830 2HA GLY 106 2HA GLY 106 61.019 62.771 67.173 831 H TRP 107 H TRP 107 58.406 62.844 65.090 832 HA TRP 107 HA TRP 107 59.906 61.495 62.944 833 1HB TRP 107 2HB TRP 107 57.886 60.927 61.851 834 2HB TRP 107 1HB TRP 107 57.108 61.282 63.468 835 HD1 TRP 107 HD1 TRP 107 57.888 62.735 60.023 836 HE1 TRP 107 HE1 TRP 107 56.633 65.004 59.681 837 HE3 TRP 107 HE3 TRP 107 56.129 63.171 64.731 838 HZ2 TRP 107 HZ2 TRP 107 55.250 66.522 61.304 839 HZ3 TRP 107 HZ3 TRP 107 54.776 65.148 65.261 840 HH2 TRP 107 HH2 TRP 107 54.351 66.822 63.493 841 H LYS 108 H LYS 108 60.205 62.276 60.978 842 HA LYS 108 HA LYS 108 59.881 65.120 60.484 843 1HB LYS 108 2HB LYS 108 62.622 65.007 60.178 844 2HB LYS 108 1HB LYS 108 61.882 65.643 61.728 845 1HG LYS 108 2HG LYS 108 61.944 63.181 62.584 846 2HG LYS 108 1HG LYS 108 62.920 62.820 61.089 847 1HD LYS 108 2HD LYS 108 64.488 63.152 62.941 848 2HD LYS 108 1HD LYS 108 64.596 64.609 61.935 849 1HE LYS 108 2HE LYS 108 63.797 65.862 63.809 850 2HE LYS 108 1HE LYS 108 62.375 64.707 63.994 851 1HZ LYS 108 3HZ LYS 108 65.062 64.006 64.964 852 2HZ LYS 108 2HZ LYS 108 63.927 64.867 65.894 853 3HZ LYS 108 1HZ LYS 108 63.539 63.386 65.359 854 H GLN 109 H GLN 109 61.420 65.846 58.757 855 HA GLN 109 HA GLN 109 61.867 63.611 56.757 856 1HB GLN 109 2HB GLN 109 60.756 65.608 55.117 857 2HB GLN 109 1HB GLN 109 59.918 64.040 55.578 858 1HG GLN 109 2HG GLN 109 59.581 66.250 57.634 859 2HG GLN 109 1HG GLN 109 58.808 66.448 55.937 860 1HE2 GLN 109 2HE2 GLN 109 57.369 63.725 58.497 861 2HE2 GLN 109 1HE2 GLN 109 58.725 64.952 58.977 862 H TRP 110 H TRP 110 62.667 64.660 54.551 863 HA TRP 110 HA TRP 110 63.977 67.263 54.743 864 1HB TRP 110 2HB TRP 110 66.351 66.210 55.019 865 2HB TRP 110 1HB TRP 110 65.293 66.690 56.397 866 HD1 TRP 110 HD1 TRP 110 65.170 63.313 54.414 867 HE1 TRP 110 HE1 TRP 110 65.260 61.458 56.325 868 HE3 TRP 110 HE3 TRP 110 65.662 66.360 58.288 869 HZ2 TRP 110 HZ2 TRP 110 65.517 61.554 59.115 870 HZ3 TRP 110 HZ3 TRP 110 65.827 65.523 60.602 871 HH2 TRP 110 HH2 TRP 110 65.761 63.169 60.938 872 H VAL 111 H VAL 111 62.545 65.926 52.718 873 HA VAL 111 HA VAL 111 62.930 64.956 50.470 874 HB VAL 111 HB VAL 111 63.890 67.866 50.538 875 1HG1 VAL 111 1HG1 VAL 111 63.410 66.503 48.292 876 2HG1 VAL 111 3HG1 VAL 111 61.704 67.005 48.599 877 3HG1 VAL 111 2HG1 VAL 111 62.995 68.251 48.446 878 1HG2 VAL 111 2HG2 VAL 111 61.047 66.703 50.944 879 2HG2 VAL 111 1HG2 VAL 111 61.958 67.734 52.120 880 3HG2 VAL 111 3HG2 VAL 111 61.344 68.439 50.510 881 H GLU 112 H GLU 112 64.821 63.596 50.732 882 HA GLU 112 HA GLU 112 67.407 64.862 50.159 883 1HB GLU 112 2HB GLU 112 66.319 62.271 51.072 884 2HB GLU 112 1HB GLU 112 67.887 62.121 50.186 885 1HG GLU 112 2HG GLU 112 67.688 64.394 52.150 886 2HG GLU 112 1HG GLU 112 67.609 62.665 52.871 887 H GLY 113 H GLY 113 65.451 65.101 48.028 888 1HA GLY 113 1HA GLY 113 66.029 65.245 45.637 889 2HA GLY 113 2HA GLY 113 67.185 63.882 45.869 890 H ASP 114 H ASP 114 64.171 64.821 44.861 891 HA ASP 114 HA ASP 114 62.431 63.846 43.743 892 1HB ASP 114 2HB ASP 114 64.753 61.756 43.491 893 2HB ASP 114 1HB ASP 114 63.125 61.516 42.645 894 H LYS 115 H LYS 115 62.993 63.020 46.664 895 HA LYS 115 HA LYS 115 60.551 61.507 46.974 896 1HB LYS 115 2HB LYS 115 61.404 59.343 47.723 897 2HB LYS 115 1HB LYS 115 62.026 59.680 46.071 898 1HG LYS 115 2HG LYS 115 64.118 59.098 47.029 899 2HG LYS 115 1HG LYS 115 64.043 60.820 47.623 900 1HD LYS 115 2HD LYS 115 62.442 59.569 49.428 901 2HD LYS 115 1HD LYS 115 63.419 58.129 49.006 902 1HE LYS 115 2HE LYS 115 64.820 59.142 50.723 903 2HE LYS 115 1HE LYS 115 65.408 59.923 49.196 904 1HZ LYS 115 1HZ LYS 115 63.110 61.152 50.466 905 2HZ LYS 115 3HZ LYS 115 64.487 61.342 51.346 906 3HZ LYS 115 2HZ LYS 115 64.485 61.905 49.779 907 H LEU 116 H LEU 116 59.996 61.065 49.125 908 HA LEU 116 HA LEU 116 61.527 63.042 50.837 909 1HB LEU 116 2HB LEU 116 59.129 63.419 49.953 910 2HB LEU 116 1HB LEU 116 58.629 62.286 51.289 911 HG LEU 116 HG LEU 116 60.576 64.291 52.252 912 1HD1 LEU 116 3HD1 LEU 116 59.333 65.404 50.230 913 2HD1 LEU 116 2HD1 LEU 116 57.830 65.387 51.339 914 3HD1 LEU 116 1HD1 LEU 116 59.304 66.352 51.745 915 1HD2 LEU 116 1HD2 LEU 116 57.697 63.539 53.003 916 2HD2 LEU 116 3HD2 LEU 116 59.197 62.963 53.753 917 3HD2 LEU 116 2HD2 LEU 116 58.750 64.675 54.014 918 H TYR 117 H TYR 117 62.823 62.169 52.121 919 HA TYR 117 HA TYR 117 62.265 59.548 53.184 920 1HB TYR 117 2HB TYR 117 64.236 61.792 53.573 921 2HB TYR 117 1HB TYR 117 64.025 60.709 55.007 922 HD1 TYR 117 HD1 TYR 117 63.651 57.990 53.504 923 HD2 TYR 117 HD2 TYR 117 66.436 61.189 52.688 924 HE1 TYR 117 HE1 TYR 117 65.168 56.392 52.358 925 HE2 TYR 117 HE2 TYR 117 67.889 59.617 51.579 926 HH TYR 117 HH TYR 117 67.140 56.129 51.459 927 H LEU 118 H LEU 118 60.491 59.169 54.228 928 HA LEU 118 HA LEU 118 59.897 61.068 56.539 929 1HB LEU 118 2HB LEU 118 58.146 59.901 54.820 930 2HB LEU 118 1HB LEU 118 58.405 58.419 55.867 931 HG LEU 118 HG LEU 118 56.393 59.444 56.771 932 1HD1 LEU 118 2HD1 LEU 118 58.739 60.437 58.514 933 2HD1 LEU 118 1HD1 LEU 118 56.987 60.189 58.939 934 3HD1 LEU 118 3HD1 LEU 118 57.944 58.769 58.512 935 1HD2 LEU 118 1HD2 LEU 118 57.653 61.943 55.896 936 2HD2 LEU 118 3HD2 LEU 118 55.947 61.585 56.342 937 3HD2 LEU 118 2HD2 LEU 118 57.171 61.942 57.686 938 H GLU 119 H GLU 119 61.980 60.567 57.268 939 HA GLU 119 HA GLU 119 62.408 57.961 58.572 940 1HB GLU 119 2HB GLU 119 64.126 60.489 58.171 941 2HB GLU 119 1HB GLU 119 64.552 59.236 59.336 942 1HG GLU 119 2HG GLU 119 64.404 57.453 57.563 943 2HG GLU 119 1HG GLU 119 63.806 58.720 56.373 944 H LEU 120 H LEU 120 61.495 57.456 60.338 945 HA LEU 120 HA LEU 120 61.251 59.650 62.388 946 1HB LEU 120 2HB LEU 120 59.112 59.154 62.927 947 2HB LEU 120 1HB LEU 120 59.192 58.989 61.119 948 HG LEU 120 HG LEU 120 59.755 56.403 62.452 949 1HD1 LEU 120 3HD1 LEU 120 57.754 57.548 63.891 950 2HD1 LEU 120 2HD1 LEU 120 56.877 57.522 62.325 951 3HD1 LEU 120 1HD1 LEU 120 57.414 55.932 63.088 952 1HD2 LEU 120 2HD2 LEU 120 58.140 57.494 60.144 953 2HD2 LEU 120 1HD2 LEU 120 59.493 56.335 60.149 954 3HD2 LEU 120 3HD2 LEU 120 57.868 55.781 60.735 955 H THR 121 H THR 121 61.247 58.974 64.477 956 HA THR 121 HA THR 121 62.642 56.333 64.922 957 HB THR 121 HB THR 121 62.736 58.945 66.564 958 HG1 THR 121 1HG THR 121 65.029 58.081 65.456 959 1HG2 THR 121 2HG2 THR 121 63.777 56.078 66.909 960 2HG2 THR 121 1HG2 THR 121 64.977 57.357 67.412 961 3HG2 THR 121 3HG2 THR 121 63.409 57.198 68.256 962 H CYS 122 H CYS 122 61.928 55.234 67.204 963 HA CYS 122 HA CYS 122 59.368 56.369 68.138 964 1HB CYS 122 2HB CYS 122 59.377 53.359 67.462 965 2HB CYS 122 1HB CYS 122 58.040 54.514 67.480 966 HG CYS 122 HG CYS 122 59.089 53.262 65.058 967 H GLY 123 H GLY 123 62.015 55.955 69.045 968 1HA GLY 123 1HA GLY 123 62.566 55.834 71.494 969 2HA GLY 123 2HA GLY 123 61.394 54.445 71.566 970 H ASP 124 H ASP 124 63.610 54.795 68.988 971 HA ASP 124 HA ASP 124 65.990 54.023 69.033 972 1HB ASP 124 2HB ASP 124 64.583 51.657 70.398 973 2HB ASP 124 1HB ASP 124 66.129 51.449 69.391 974 H GLN 125 H GLN 125 62.857 52.554 68.347 975 HA GLN 125 HA GLN 125 63.944 51.047 66.068 976 1HB GLN 125 2HB GLN 125 61.117 51.774 67.117 977 2HB GLN 125 1HB GLN 125 61.319 50.946 65.568 978 1HG GLN 125 2HG GLN 125 60.912 49.299 67.444 979 2HG GLN 125 1HG GLN 125 62.510 49.077 66.522 980 1HE2 GLN 125 1HE2 GLN 125 64.414 49.739 69.389 981 2HE2 GLN 125 2HE2 GLN 125 64.276 49.221 67.575 982 H VAL 126 H VAL 126 65.030 52.672 65.125 983 HA VAL 126 HA VAL 126 63.851 55.063 64.022 984 HB VAL 126 HB VAL 126 66.473 53.454 63.601 985 1HG1 VAL 126 3HG1 VAL 126 65.173 55.602 61.816 986 2HG1 VAL 126 2HG1 VAL 126 66.934 55.814 62.319 987 3HG1 VAL 126 1HG1 VAL 126 66.419 54.363 61.392 988 1HG2 VAL 126 2HG2 VAL 126 65.416 55.480 65.324 989 2HG2 VAL 126 1HG2 VAL 126 67.114 54.985 65.151 990 3HG2 VAL 126 3HG2 VAL 126 66.482 56.370 64.158 991 H CYS 127 H CYS 127 61.968 54.552 62.792 992 HA CYS 127 HA CYS 127 62.062 52.461 60.650 993 1HB CYS 127 2HB CYS 127 60.181 54.652 61.706 994 2HB CYS 127 1HB CYS 127 59.966 54.201 59.988 995 HG CYS 127 HG CYS 127 58.483 52.989 62.242 996 H ARG 128 H ARG 128 63.471 52.618 59.102 997 HA ARG 128 HA ARG 128 63.771 55.435 57.998 998 1HB ARG 128 2HB ARG 128 65.774 54.077 58.475 999 2HB ARG 128 1HB ARG 128 65.172 52.831 57.268 1000 1HG ARG 128 2HG ARG 128 65.048 55.222 55.786 1001 2HG ARG 128 1HG ARG 128 66.567 55.402 56.734 1002 1HD ARG 128 2HD ARG 128 67.108 52.948 55.844 1003 2HD ARG 128 1HD ARG 128 65.613 53.203 54.765 1004 HE ARG 128 HE ARG 128 66.934 55.317 54.078 1005 1HH1 ARG 128 2HH2 ARG 128 68.480 52.140 54.769 1006 2HH1 ARG 128 1HH2 ARG 128 69.805 52.479 53.679 1007 1HH2 ARG 128 1HH1 ARG 128 68.860 55.612 52.579 1008 2HH2 ARG 128 2HH1 ARG 128 69.988 54.305 52.527 1009 H GLN 129 H GLN 129 61.468 55.420 57.199 1010 HA GLN 129 HA GLN 129 60.798 53.546 55.098 1011 1HB GLN 129 2HB GLN 129 59.861 56.482 55.150 1012 2HB GLN 129 1HB GLN 129 59.062 55.073 54.338 1013 1HG GLN 129 2HG GLN 129 58.669 53.911 56.427 1014 2HG GLN 129 1HG GLN 129 59.505 55.274 57.382 1015 1HE2 GLN 129 2HE2 GLN 129 55.751 55.438 55.574 1016 2HE2 GLN 129 1HE2 GLN 129 57.015 54.231 55.197 1017 H VAL 130 H VAL 130 60.947 53.606 52.740 1018 HA VAL 130 HA VAL 130 63.035 55.644 51.891 1019 HB VAL 130 HB VAL 130 62.653 52.943 50.388 1020 1HG1 VAL 130 2HG1 VAL 130 64.481 55.269 50.329 1021 2HG1 VAL 130 1HG1 VAL 130 65.410 53.768 50.630 1022 3HG1 VAL 130 3HG1 VAL 130 64.357 53.837 49.200 1023 1HG2 VAL 130 3HG2 VAL 130 63.181 52.446 52.962 1024 2HG2 VAL 130 2HG2 VAL 130 64.118 51.694 51.623 1025 3HG2 VAL 130 1HG2 VAL 130 64.807 53.090 52.486 1026 H PHE 131 H PHE 131 61.842 57.078 51.127 1027 HA PHE 131 HA PHE 131 59.407 56.466 49.614 1028 1HB PHE 131 2HB PHE 131 60.920 58.955 50.470 1029 2HB PHE 131 1HB PHE 131 59.734 59.103 49.110 1030 HD1 PHE 131 HD1 PHE 131 59.922 57.027 52.281 1031 HD2 PHE 131 HD2 PHE 131 57.713 59.768 49.830 1032 HE1 PHE 131 HE1 PHE 131 58.001 56.864 53.921 1033 HE2 PHE 131 HE2 PHE 131 55.825 59.551 51.498 1034 HZ PHE 131 HZ PHE 131 56.032 58.132 53.458 1035 H LYS 132 H LYS 132 58.918 57.898 47.749 1036 HA LYS 132 HA LYS 132 60.982 58.137 45.645 1037 1HB LYS 132 2HB LYS 132 60.574 55.575 45.577 1038 2HB LYS 132 1HB LYS 132 58.868 55.863 45.958 1039 1HG LYS 132 2HG LYS 132 59.555 57.251 43.421 1040 2HG LYS 132 1HG LYS 132 60.152 55.530 43.377 1041 1HD LYS 132 2HD LYS 132 57.823 54.835 44.217 1042 2HD LYS 132 1HD LYS 132 57.269 56.546 43.752 1043 1HE LYS 132 2HE LYS 132 57.109 55.944 41.645 1044 2HE LYS 132 1HE LYS 132 58.800 55.255 41.630 1045 1HZ LYS 132 3HZ LYS 132 56.589 53.721 42.919 1046 2HZ LYS 132 2HZ LYS 132 56.544 53.958 41.272 1047 3HZ LYS 132 1HZ LYS 132 57.840 53.173 41.963 1048 H LYS 133 H LYS 133 60.047 60.046 45.077 1049 HA LYS 133 HA LYS 133 57.252 60.887 45.370 1050 1HB LYS 133 2HB LYS 133 58.880 62.507 44.586 1051 2HB LYS 133 1HB LYS 133 59.332 61.352 43.207 1052 1HG LYS 133 2HG LYS 133 56.948 61.770 42.314 1053 2HG LYS 133 1HG LYS 133 56.637 62.875 43.728 1054 1HD LYS 133 2HD LYS 133 57.182 64.304 41.903 1055 2HD LYS 133 1HD LYS 133 58.770 64.101 42.797 1056 1HE LYS 133 2HE LYS 133 59.519 62.356 41.356 1057 2HE LYS 133 1HE LYS 133 57.851 62.251 40.519 1058 1HZ LYS 133 1HZ LYS 133 59.237 64.779 40.466 1059 2HZ LYS 133 3HZ LYS 133 59.893 63.610 39.479 1060 3HZ LYS 133 2HZ LYS 133 58.259 64.073 39.339 1061 H LYS 134 H LYS 134 55.515 60.124 44.643 1062 HA LYS 134 HA LYS 134 55.104 57.823 43.202 1063 1HB LYS 134 2HB LYS 134 52.821 58.672 42.606 1064 2HB LYS 134 1HB LYS 134 53.286 59.381 44.187 1065 1HG LYS 134 2HG LYS 134 53.908 61.500 43.073 1066 2HG LYS 134 1HG LYS 134 53.509 60.793 41.401 1067 1HD LYS 134 2HD LYS 134 51.231 60.502 42.017 1068 2HD LYS 134 1HD LYS 134 51.586 61.003 43.772 1069 1HE LYS 134 2HE LYS 134 51.893 63.206 43.274 1070 2HE LYS 134 1HE LYS 134 52.245 62.847 41.505 1071 1HZ LYS 134 1HZ LYS 134 49.872 61.996 41.515 1072 2HZ LYS 134 3HZ LYS 134 49.612 62.882 42.917 1073 3HZ LYS 134 2HZ LYS 134 49.994 63.677 41.539 No H/Q in entry = 1073 Start of MODEL 15 1 1H MET 1 3H MET 1 62.830 80.751 47.930 2 2H MET 1 2H MET 1 63.587 80.319 46.454 3 3H MET 1 1H MET 1 62.146 81.157 46.496 4 HA MET 1 HA MET 1 61.018 79.232 47.585 5 1HB MET 1 2HB MET 1 62.755 78.708 45.032 6 2HB MET 1 1HB MET 1 61.481 77.541 45.647 7 1HG MET 1 2HG MET 1 59.716 79.314 45.448 8 2HG MET 1 1HG MET 1 60.868 80.478 44.931 9 1HE MET 1 2HE MET 1 59.066 77.242 44.586 10 2HE MET 1 1HE MET 1 58.096 78.274 43.433 11 3HE MET 1 3HE MET 1 58.972 76.766 42.941 12 H THR 2 H THR 2 61.182 77.567 48.730 13 HA THR 2 HA THR 2 63.852 76.169 49.014 14 HB THR 2 HB THR 2 62.865 76.280 51.647 15 HG1 THR 2 1HG THR 2 61.674 77.849 51.685 16 1HG2 THR 2 3HG2 THR 2 65.372 76.687 50.684 17 2HG2 THR 2 2HG2 THR 2 64.791 78.320 50.185 18 3HG2 THR 2 1HG2 THR 2 64.932 77.942 51.905 19 H LYS 3 H LYS 3 60.417 76.412 50.191 20 HA LYS 3 HA LYS 3 60.478 73.340 50.350 21 1HB LYS 3 2HB LYS 3 58.535 73.829 52.028 22 2HB LYS 3 1HB LYS 3 60.235 74.073 52.566 23 1HG LYS 3 2HG LYS 3 59.986 76.539 52.047 24 2HG LYS 3 1HG LYS 3 58.268 76.169 51.524 25 1HD LYS 3 2HD LYS 3 57.736 76.553 53.808 26 2HD LYS 3 1HD LYS 3 58.565 74.957 54.051 27 1HE LYS 3 2HE LYS 3 60.520 75.911 54.809 28 2HE LYS 3 1HE LYS 3 60.256 77.459 53.863 29 1HZ LYS 3 3HZ LYS 3 58.213 77.559 55.540 30 2HZ LYS 3 2HZ LYS 3 59.344 76.794 56.548 31 3HZ LYS 3 1HZ LYS 3 59.668 78.255 55.924 32 H ASP 4 H ASP 4 59.943 73.125 48.138 33 HA ASP 4 HA ASP 4 57.023 73.756 47.659 34 1HB ASP 4 2HB ASP 4 59.450 73.614 45.909 35 2HB ASP 4 1HB ASP 4 58.003 72.602 45.327 36 H GLN 5 H GLN 5 55.750 72.088 48.225 37 HA GLN 5 HA GLN 5 56.664 69.231 47.726 38 1HB GLN 5 2HB GLN 5 55.974 70.689 50.332 39 2HB GLN 5 1HB GLN 5 55.397 68.947 50.110 40 1HG GLN 5 2HG GLN 5 57.586 68.197 49.651 41 2HG GLN 5 1HG GLN 5 58.227 69.979 49.782 42 1HE2 GLN 5 2HE2 GLN 5 57.817 70.233 53.263 43 2HE2 GLN 5 1HE2 GLN 5 57.583 71.099 51.737 44 H ASN 6 H ASN 6 53.789 69.877 49.461 45 HA ASN 6 HA ASN 6 51.845 68.918 48.902 46 1HB ASN 6 2HB ASN 6 52.067 71.345 46.889 47 2HB ASN 6 1HB ASN 6 50.531 70.375 47.109 48 1HD2 ASN 6 2HD2 ASN 6 49.448 72.046 49.891 49 2HD2 ASN 6 1HD2 ASN 6 49.172 70.893 48.402 50 H GLY 7 H GLY 7 53.584 67.400 47.856 51 1HA GLY 7 1HA GLY 7 52.677 66.552 45.088 52 2HA GLY 7 2HA GLY 7 54.129 66.054 46.002 53 H THR 8 H THR 8 54.068 64.176 46.536 54 HA THR 8 HA THR 8 52.556 62.769 48.327 55 HB THR 8 HB THR 8 51.326 62.392 45.506 56 HG1 THR 8 1HG THR 8 49.892 63.289 46.644 57 1HG2 THR 8 2HG2 THR 8 51.502 60.439 47.989 58 2HG2 THR 8 1HG2 THR 8 50.335 60.314 46.616 59 3HG2 THR 8 3HG2 THR 8 52.142 60.059 46.372 60 H TRP 9 H TRP 9 53.354 60.848 48.543 61 HA TRP 9 HA TRP 9 55.530 59.953 46.713 62 1HB TRP 9 2HB TRP 9 56.415 60.047 49.573 63 2HB TRP 9 1HB TRP 9 57.374 60.224 48.092 64 HD1 TRP 9 HD1 TRP 9 54.532 62.312 49.797 65 HE1 TRP 9 HE1 TRP 9 55.014 64.823 49.707 66 HE3 TRP 9 HE3 TRP 9 58.644 61.771 47.368 67 HZ2 TRP 9 HZ2 TRP 9 57.098 66.271 48.576 68 HZ3 TRP 9 HZ3 TRP 9 59.990 63.803 46.712 69 HH2 TRP 9 HH2 TRP 9 59.204 65.924 47.308 70 H GLU 10 H GLU 10 54.471 57.942 46.187 71 HA GLU 10 HA GLU 10 53.455 56.225 48.259 72 1HB GLU 10 2HB GLU 10 54.859 55.256 45.694 73 2HB GLU 10 1HB GLU 10 53.614 54.370 46.645 74 1HG GLU 10 2HG GLU 10 52.161 56.655 46.099 75 2HG GLU 10 1HG GLU 10 53.396 56.736 44.747 76 H MET 11 H MET 11 54.553 55.666 49.827 77 HA MET 11 HA MET 11 57.457 55.477 50.236 78 1HB MET 11 2HB MET 11 55.328 55.708 51.890 79 2HB MET 11 1HB MET 11 55.208 53.917 51.609 80 1HG MET 11 2HG MET 11 57.449 53.605 52.744 81 2HG MET 11 1HG MET 11 57.736 55.356 52.666 82 1HE MET 11 3HE MET 11 55.050 52.674 53.618 83 2HE MET 11 2HE MET 11 56.468 52.291 54.588 84 3HE MET 11 1HE MET 11 54.922 52.870 55.395 85 H GLU 12 H GLU 12 57.773 54.459 48.201 86 HA GLU 12 HA GLU 12 57.218 52.159 46.961 87 1HB GLU 12 2HB GLU 12 59.292 53.826 46.591 88 2HB GLU 12 1HB GLU 12 60.103 52.586 47.637 89 1HG GLU 12 2HG GLU 12 58.824 50.874 45.929 90 2HG GLU 12 1HG GLU 12 58.833 52.463 44.890 91 H SER 13 H SER 13 59.120 52.364 49.883 92 HA SER 13 HA SER 13 58.343 49.527 50.567 93 1HB SER 13 2HB SER 13 61.099 50.375 49.710 94 2HB SER 13 1HB SER 13 61.036 49.946 51.497 95 HG SER 13 HG SER 13 60.213 48.042 50.956 96 H ASN 14 H ASN 14 58.455 48.924 52.492 97 HA ASN 14 HA ASN 14 58.715 51.024 54.615 98 1HB ASN 14 2HB ASN 14 56.287 49.885 53.979 99 2HB ASN 14 1HB ASN 14 57.059 48.414 54.824 100 1HD2 ASN 14 1HD2 ASN 14 55.229 50.893 57.122 101 2HD2 ASN 14 2HD2 ASN 14 54.800 50.196 55.420 102 H GLU 15 H GLU 15 60.419 50.926 55.455 103 HA GLU 15 HA GLU 15 62.131 48.717 55.686 104 1HB GLU 15 2HB GLU 15 62.119 51.350 56.516 105 2HB GLU 15 1HB GLU 15 61.748 50.618 58.101 106 1HG GLU 15 2HG GLU 15 63.920 49.150 56.627 107 2HG GLU 15 1HG GLU 15 64.273 50.921 57.231 108 H ASN 16 H ASN 16 59.637 49.783 58.108 109 HA ASN 16 HA ASN 16 59.120 46.982 58.901 110 1HB ASN 16 2HB ASN 16 60.772 46.893 60.509 111 2HB ASN 16 1HB ASN 16 61.095 48.689 60.223 112 1HD2 ASN 16 1HD2 ASN 16 60.097 49.096 63.512 113 2HD2 ASN 16 2HD2 ASN 16 61.477 49.116 62.224 114 H PHE 17 H PHE 17 57.401 46.748 60.122 115 HA PHE 17 HA PHE 17 55.707 49.211 60.555 116 1HB PHE 17 2HB PHE 17 53.934 47.019 60.388 117 2HB PHE 17 1HB PHE 17 54.202 48.220 59.075 118 HD1 PHE 17 HD1 PHE 17 56.232 47.774 57.537 119 HD2 PHE 17 HD2 PHE 17 54.376 44.780 59.962 120 HE1 PHE 17 HE1 PHE 17 57.142 46.013 56.117 121 HE2 PHE 17 HE2 PHE 17 55.290 42.983 58.516 122 HZ PHE 17 HZ PHE 17 56.691 43.566 56.559 123 H GLU 18 H GLU 18 55.936 45.753 61.342 124 HA GLU 18 HA GLU 18 54.631 46.117 63.993 125 1HB GLU 18 2HB GLU 18 55.127 43.682 64.251 126 2HB GLU 18 1HB GLU 18 55.004 43.892 62.474 127 1HG GLU 18 2HG GLU 18 57.504 44.292 62.380 128 2HG GLU 18 1HG GLU 18 57.510 43.603 64.136 129 H GLY 19 H GLY 19 57.913 46.191 62.812 130 1HA GLY 19 1HA GLY 19 59.107 45.821 65.478 131 2HA GLY 19 2HA GLY 19 59.942 46.528 64.051 132 H TYR 20 H TYR 20 57.574 48.522 63.782 133 HA TYR 20 HA TYR 20 58.922 50.551 65.469 134 1HB TYR 20 2HB TYR 20 58.131 51.484 63.413 135 2HB TYR 20 1HB TYR 20 56.578 50.575 63.459 136 HD1 TYR 20 HD2 TYR 20 54.839 51.254 64.990 137 HD2 TYR 20 HD1 TYR 20 58.407 53.524 64.522 138 HE1 TYR 20 HE2 TYR 20 53.656 53.126 66.019 139 HE2 TYR 20 HE1 TYR 20 57.292 55.486 65.546 140 HH TYR 20 HH TYR 20 54.304 55.205 67.226 141 H MET 21 H MET 21 56.114 48.475 65.617 142 HA MET 21 HA MET 21 54.820 49.881 67.890 143 1HB MET 21 2HB MET 21 54.605 47.266 66.216 144 2HB MET 21 1HB MET 21 53.849 47.338 67.804 145 1HG MET 21 2HG MET 21 52.766 49.627 66.781 146 2HG MET 21 1HG MET 21 53.343 49.116 65.237 147 1HE MET 21 2HE MET 21 51.214 49.353 64.228 148 2HE MET 21 1HE MET 21 49.620 48.603 64.730 149 3HE MET 21 3HE MET 21 50.483 49.848 65.681 150 H LYS 22 H LYS 22 57.012 47.418 67.195 151 HA LYS 22 HA LYS 22 57.253 46.285 69.867 152 1HB LYS 22 2HB LYS 22 59.163 46.223 67.383 153 2HB LYS 22 1HB LYS 22 59.414 45.187 68.845 154 1HG LYS 22 2HG LYS 22 56.613 45.228 67.892 155 2HG LYS 22 1HG LYS 22 57.807 44.549 66.653 156 1HD LYS 22 2HD LYS 22 56.817 42.811 68.318 157 2HD LYS 22 1HD LYS 22 58.669 42.985 68.431 158 1HE LYS 22 2HE LYS 22 58.254 44.614 70.313 159 2HE LYS 22 1HE LYS 22 56.465 44.413 70.126 160 1HZ LYS 22 3HZ LYS 22 56.878 41.984 70.505 161 2HZ LYS 22 2HZ LYS 22 58.442 42.265 70.857 162 3HZ LYS 22 1HZ LYS 22 57.200 42.910 71.839 163 H ALA 23 H ALA 23 58.661 48.782 68.138 164 HA ALA 23 HA ALA 23 60.973 49.121 69.915 165 1HB ALA 23 2HB ALA 23 60.649 49.871 67.459 166 2HB ALA 23 1HB ALA 23 59.664 51.250 68.144 167 3HB ALA 23 3HB ALA 23 61.402 51.151 68.591 168 H LEU 24 H LEU 24 57.781 50.518 69.635 169 HA LEU 24 HA LEU 24 58.261 52.224 72.088 170 1HB LEU 24 2HB LEU 24 56.738 53.736 71.103 171 2HB LEU 24 1HB LEU 24 57.103 52.831 69.592 172 HG LEU 24 HG LEU 24 55.012 51.224 70.544 173 1HD1 LEU 24 1HD1 LEU 24 55.047 53.677 72.171 174 2HD1 LEU 24 3HD1 LEU 24 53.574 53.635 71.072 175 3HD1 LEU 24 2HD1 LEU 24 53.917 52.339 72.280 176 1HD2 LEU 24 1HD2 LEU 24 55.442 53.200 68.513 177 2HD2 LEU 24 3HD2 LEU 24 54.281 51.819 68.538 178 3HD2 LEU 24 2HD2 LEU 24 53.775 53.407 69.190 179 H ASP 25 H ASP 25 57.377 49.362 71.207 180 HA ASP 25 HA ASP 25 56.053 47.554 71.811 181 1HB ASP 25 2HB ASP 25 57.457 47.172 73.564 182 2HB ASP 25 1HB ASP 25 57.338 48.871 74.227 183 H ILE 26 H ILE 26 54.253 47.839 71.029 184 HA ILE 26 HA ILE 26 52.095 49.058 72.694 185 HB ILE 26 HB ILE 26 52.609 50.554 70.978 186 1HG1 ILE 26 2HG1 ILE 26 50.477 50.481 69.535 187 2HG1 ILE 26 1HG1 ILE 26 50.146 48.883 70.363 188 1HG2 ILE 26 1HG2 ILE 26 53.484 48.499 69.329 189 2HG2 ILE 26 3HG2 ILE 26 51.733 48.679 68.738 190 3HG2 ILE 26 2HG2 ILE 26 52.854 50.076 68.622 191 1HD1 ILE 26 3HD1 ILE 26 51.126 51.164 72.095 192 2HD1 ILE 26 2HD1 ILE 26 49.433 51.323 71.612 193 3HD1 ILE 26 1HD1 ILE 26 49.966 49.809 72.502 194 H ASP 27 H ASP 27 52.885 46.738 70.072 195 HA ASP 27 HA ASP 27 50.969 44.854 71.315 196 1HB ASP 27 2HB ASP 27 50.082 46.510 69.213 197 2HB ASP 27 1HB ASP 27 50.450 44.885 68.392 198 H PHE 28 H PHE 28 51.484 42.619 70.825 199 HA PHE 28 HA PHE 28 54.181 42.510 69.742 200 1HB PHE 28 2HB PHE 28 52.343 40.181 70.582 201 2HB PHE 28 1HB PHE 28 54.199 40.244 70.603 202 HD1 PHE 28 HD1 PHE 28 54.879 42.518 72.081 203 HD2 PHE 28 HD2 PHE 28 51.404 40.079 72.602 204 HE1 PHE 28 HE1 PHE 28 54.698 43.306 74.491 205 HE2 PHE 28 HE2 PHE 28 51.236 40.836 74.936 206 HZ PHE 28 HZ PHE 28 52.910 42.467 75.895 207 H ALA 29 H ALA 29 53.321 43.298 67.502 208 HA ALA 29 HA ALA 29 53.122 42.793 65.250 209 1HB ALA 29 3HB ALA 29 54.498 40.587 66.516 210 2HB ALA 29 2HB ALA 29 53.115 39.789 65.644 211 3HB ALA 29 1HB ALA 29 54.275 40.790 64.691 212 H THR 30 H THR 30 51.361 43.718 65.814 213 HA THR 30 HA THR 30 48.921 42.153 66.121 214 HB THR 30 HB THR 30 49.700 44.792 66.654 215 HG1 THR 30 1HG THR 30 47.007 44.230 66.623 216 1HG2 THR 30 1HG2 THR 30 47.454 44.549 64.495 217 2HG2 THR 30 3HG2 THR 30 47.819 46.035 65.487 218 3HG2 THR 30 2HG2 THR 30 49.056 45.427 64.266 219 H ARG 31 H ARG 31 50.526 43.764 63.524 220 HA ARG 31 HA ARG 31 48.419 43.368 61.550 221 1HB ARG 31 2HB ARG 31 51.364 43.988 61.121 222 2HB ARG 31 1HB ARG 31 50.146 44.014 59.858 223 1HG ARG 31 2HG ARG 31 49.611 46.264 60.523 224 2HG ARG 31 1HG ARG 31 49.161 45.575 62.184 225 1HD ARG 31 2HD ARG 31 51.264 46.039 62.997 226 2HD ARG 31 1HD ARG 31 52.123 45.758 61.452 227 HE ARG 31 HE ARG 31 52.191 47.970 61.216 228 1HH1 ARG 31 2HH2 ARG 31 48.891 47.396 62.677 229 2HH1 ARG 31 1HH2 ARG 31 48.416 49.058 62.539 230 1HH2 ARG 31 1HH1 ARG 31 51.487 50.114 61.076 231 2HH2 ARG 31 2HH1 ARG 31 49.835 50.523 61.667 232 H LYS 32 H LYS 32 51.269 42.397 59.954 233 HA LYS 32 HA LYS 32 52.068 40.463 59.307 234 1HB LYS 32 2HB LYS 32 52.192 38.834 60.852 235 2HB LYS 32 1HB LYS 32 51.087 39.826 61.832 236 1HG LYS 32 2HG LYS 32 49.058 38.596 60.677 237 2HG LYS 32 1HG LYS 32 50.262 37.526 59.931 238 1HD LYS 32 2HD LYS 32 50.942 37.901 62.805 239 2HD LYS 32 1HD LYS 32 49.345 37.168 62.580 240 1HE LYS 32 2HE LYS 32 50.191 35.320 61.165 241 2HE LYS 32 1HE LYS 32 51.758 36.162 60.922 242 1HZ LYS 32 3HZ LYS 32 51.966 36.094 63.406 243 2HZ LYS 32 2HZ LYS 32 50.906 34.787 63.357 244 3HZ LYS 32 1HZ LYS 32 52.335 34.731 62.545 245 H ILE 33 H ILE 33 49.351 41.910 58.959 246 HA ILE 33 HA ILE 33 48.325 40.200 56.765 247 HB ILE 33 HB ILE 33 46.359 41.737 58.624 248 1HG1 ILE 33 2HG1 ILE 33 45.727 39.047 58.992 249 2HG1 ILE 33 1HG1 ILE 33 47.573 39.007 59.020 250 1HG2 ILE 33 2HG2 ILE 33 46.038 39.577 56.468 251 2HG2 ILE 33 1HG2 ILE 33 44.709 40.073 57.584 252 3HG2 ILE 33 3HG2 ILE 33 45.371 41.246 56.404 253 1HD1 ILE 33 2HD1 ILE 33 47.098 41.227 60.508 254 2HD1 ILE 33 1HD1 ILE 33 45.535 40.424 60.887 255 3HD1 ILE 33 3HD1 ILE 33 47.018 39.558 61.314 256 H ALA 34 H ALA 34 48.031 43.297 58.608 257 HA ALA 34 HA ALA 34 47.394 44.748 56.097 258 1HB ALA 34 3HB ALA 34 46.275 45.160 58.528 259 2HB ALA 34 2HB ALA 34 47.833 46.008 58.845 260 3HB ALA 34 1HB ALA 34 46.717 46.571 57.532 261 H VAL 35 H VAL 35 49.904 43.555 56.339 262 HA VAL 35 HA VAL 35 52.087 45.019 57.174 263 HB VAL 35 HB VAL 35 51.595 43.275 54.694 264 1HG1 VAL 35 2HG1 VAL 35 54.309 44.470 55.741 265 2HG1 VAL 35 1HG1 VAL 35 54.252 42.949 54.786 266 3HG1 VAL 35 3HG1 VAL 35 53.595 44.436 54.058 267 1HG2 VAL 35 3HG2 VAL 35 51.385 42.368 57.125 268 2HG2 VAL 35 2HG2 VAL 35 52.314 41.445 55.845 269 3HG2 VAL 35 1HG2 VAL 35 53.242 42.364 57.081 270 H ARG 36 H ARG 36 50.220 45.324 54.418 271 HA ARG 36 HA ARG 36 50.394 47.958 53.632 272 1HB ARG 36 2HB ARG 36 52.780 48.041 53.526 273 2HB ARG 36 1HB ARG 36 52.820 46.359 52.791 274 1HG ARG 36 2HG ARG 36 51.390 48.481 51.177 275 2HG ARG 36 1HG ARG 36 53.188 48.693 51.294 276 1HD ARG 36 2HD ARG 36 52.972 45.933 50.858 277 2HD ARG 36 1HD ARG 36 51.666 46.565 49.842 278 HE ARG 36 HE ARG 36 54.590 47.352 49.793 279 1HH1 ARG 36 1HH2 ARG 36 51.363 47.528 48.218 280 2HH1 ARG 36 2HH2 ARG 36 52.037 48.190 46.722 281 1HH2 ARG 36 1HH1 ARG 36 55.373 48.180 47.904 282 2HH2 ARG 36 2HH1 ARG 36 54.334 48.567 46.548 283 H LEU 37 H LEU 37 48.868 48.101 52.297 284 HA LEU 37 HA LEU 37 48.616 45.922 50.263 285 1HB LEU 37 2HB LEU 37 46.126 46.808 50.069 286 2HB LEU 37 1HB LEU 37 46.613 46.070 51.681 287 HG LEU 37 HG LEU 37 46.996 48.264 52.632 288 1HD1 LEU 37 2HD1 LEU 37 46.524 49.187 49.787 289 2HD1 LEU 37 1HD1 LEU 37 45.835 50.246 51.084 290 3HD1 LEU 37 3HD1 LEU 37 47.614 49.890 51.106 291 1HD2 LEU 37 1HD2 LEU 37 44.633 47.071 52.377 292 2HD2 LEU 37 3HD2 LEU 37 44.650 48.810 52.836 293 3HD2 LEU 37 2HD2 LEU 37 44.278 48.351 51.141 294 H THR 38 H THR 38 49.571 48.996 50.777 295 HA THR 38 HA THR 38 50.771 49.775 48.668 296 HB THR 38 HB THR 38 47.802 50.049 48.103 297 HG1 THR 38 1HG THR 38 50.022 48.927 46.872 298 1HG2 THR 38 2HG2 THR 38 50.195 51.744 47.053 299 2HG2 THR 38 1HG2 THR 38 48.729 51.457 46.013 300 3HG2 THR 38 3HG2 THR 38 48.574 52.293 47.640 301 H GLN 39 H GLN 39 51.813 51.066 50.039 302 HA GLN 39 HA GLN 39 50.095 53.015 51.454 303 1HB GLN 39 2HB GLN 39 51.580 51.584 52.699 304 2HB GLN 39 1HB GLN 39 53.021 52.164 51.730 305 1HG GLN 39 2HG GLN 39 53.279 53.896 53.086 306 2HG GLN 39 1HG GLN 39 51.542 54.464 52.694 307 1HE2 GLN 39 2HE2 GLN 39 52.107 51.725 55.819 308 2HE2 GLN 39 1HE2 GLN 39 53.014 51.678 54.279 309 H THR 40 H THR 40 49.776 54.821 50.735 310 HA THR 40 HA THR 40 51.703 56.483 49.122 311 HB THR 40 HB THR 40 48.644 56.475 49.403 312 HG1 THR 40 1HG THR 40 48.750 56.333 47.172 313 1HG2 THR 40 1HG2 THR 40 50.612 58.714 48.638 314 2HG2 THR 40 3HG2 THR 40 49.073 58.610 47.739 315 3HG2 THR 40 2HG2 THR 40 49.058 58.818 49.553 316 H LYS 41 H LYS 41 52.781 57.828 50.178 317 HA LYS 41 HA LYS 41 51.404 59.039 52.615 318 1HB LYS 41 2HB LYS 41 53.624 58.005 53.119 319 2HB LYS 41 1HB LYS 41 54.372 58.774 51.678 320 1HG LYS 41 2HG LYS 41 53.022 60.510 53.868 321 2HG LYS 41 1HG LYS 41 54.657 59.797 54.148 322 1HD LYS 41 2HD LYS 41 55.142 60.923 51.694 323 2HD LYS 41 1HD LYS 41 53.782 61.998 52.260 324 1HE LYS 41 2HE LYS 41 55.064 62.087 54.542 325 2HE LYS 41 1HE LYS 41 56.496 61.579 53.470 326 1HZ LYS 41 2HZ LYS 41 54.673 63.932 53.092 327 2HZ LYS 41 1HZ LYS 41 56.230 64.028 53.712 328 3HZ LYS 41 3HZ LYS 41 55.927 63.523 52.134 329 H ILE 42 H ILE 42 50.525 60.913 52.336 330 HA ILE 42 HA ILE 42 51.722 62.667 50.114 331 HB ILE 42 HB ILE 42 48.861 62.952 51.406 332 1HG1 ILE 42 2HG1 ILE 42 48.658 62.274 48.739 333 2HG1 ILE 42 1HG1 ILE 42 49.943 61.111 49.312 334 1HG2 ILE 42 2HG2 ILE 42 50.191 64.246 48.957 335 2HG2 ILE 42 1HG2 ILE 42 48.440 64.144 49.260 336 3HG2 ILE 42 3HG2 ILE 42 49.460 65.064 50.377 337 1HD1 ILE 42 1HD1 ILE 42 47.337 61.698 50.841 338 2HD1 ILE 42 3HD1 ILE 42 47.345 60.356 49.681 339 3HD1 ILE 42 2HD1 ILE 42 48.499 60.318 51.119 340 H ILE 43 H ILE 43 51.663 64.811 50.220 341 HA ILE 43 HA ILE 43 52.005 65.954 53.039 342 HB ILE 43 HB ILE 43 53.982 65.163 51.651 343 1HG1 ILE 43 2HG1 ILE 43 54.530 68.075 51.982 344 2HG1 ILE 43 1HG1 ILE 43 53.472 67.497 53.327 345 1HG2 ILE 43 3HG2 ILE 43 53.052 66.355 49.456 346 2HG2 ILE 43 2HG2 ILE 43 53.499 67.933 50.226 347 3HG2 ILE 43 1HG2 ILE 43 54.806 66.754 49.842 348 1HD1 ILE 43 2HD1 ILE 43 55.980 65.952 52.286 349 2HD1 ILE 43 1HD1 ILE 43 56.077 67.246 53.583 350 3HD1 ILE 43 3HD1 ILE 43 55.109 65.726 53.831 351 H VAL 44 H VAL 44 51.282 67.983 53.209 352 HA VAL 44 HA VAL 44 50.428 69.437 50.693 353 HB VAL 44 HB VAL 44 48.532 68.633 52.970 354 1HG1 VAL 44 3HG1 VAL 44 48.339 70.697 50.762 355 2HG1 VAL 44 2HG1 VAL 44 46.849 69.834 51.313 356 3HG1 VAL 44 1HG1 VAL 44 47.846 70.834 52.502 357 1HG2 VAL 44 3HG2 VAL 44 48.681 66.820 51.222 358 2HG2 VAL 44 2HG2 VAL 44 47.081 67.664 51.268 359 3HG2 VAL 44 1HG2 VAL 44 48.239 68.024 49.919 360 H GLN 45 H GLN 45 51.344 71.456 51.160 361 HA GLN 45 HA GLN 45 50.918 72.478 53.927 362 1HB GLN 45 2HB GLN 45 52.868 73.647 51.955 363 2HB GLN 45 1HB GLN 45 53.099 73.382 53.778 364 1HG GLN 45 2HG GLN 45 53.230 70.852 53.259 365 2HG GLN 45 1HG GLN 45 53.361 71.437 51.486 366 1HE2 GLN 45 2HE2 GLN 45 56.466 73.147 52.146 367 2HE2 GLN 45 1HE2 GLN 45 54.741 73.380 51.427 368 H ASP 46 H ASP 46 50.018 74.169 54.328 369 HA ASP 46 HA ASP 46 49.305 75.962 52.034 370 1HB ASP 46 2HB ASP 46 47.434 74.526 52.503 371 2HB ASP 46 1HB ASP 46 47.410 74.979 54.302 372 H GLY 47 H GLY 47 51.414 76.199 53.642 373 1HA GLY 47 1HA GLY 47 52.600 77.870 54.855 374 2HA GLY 47 2HA GLY 47 51.086 78.935 54.753 375 H ASP 48 H ASP 48 53.172 77.326 56.770 376 HA ASP 48 HA ASP 48 53.015 77.067 59.115 377 1HB ASP 48 2HB ASP 48 51.308 79.151 58.544 378 2HB ASP 48 1HB ASP 48 50.138 77.978 59.395 379 H ASN 49 H ASN 49 49.713 76.610 57.970 380 HA ASN 49 HA ASN 49 49.311 74.061 59.456 381 1HB ASN 49 2HB ASN 49 47.537 75.477 57.385 382 2HB ASN 49 1HB ASN 49 47.031 74.118 58.561 383 1HD2 ASN 49 2HD2 ASN 49 46.439 76.532 61.046 384 2HD2 ASN 49 1HD2 ASN 49 46.280 74.786 60.365 385 H PHE 50 H PHE 50 50.746 72.758 58.812 386 HA PHE 50 HA PHE 50 50.853 71.745 56.038 387 1HB PHE 50 2HB PHE 50 53.017 72.401 57.140 388 2HB PHE 50 1HB PHE 50 52.664 71.323 58.546 389 HD1 PHE 50 HD2 PHE 50 52.485 69.026 58.447 390 HD2 PHE 50 HD1 PHE 50 53.744 71.330 55.057 391 HE1 PHE 50 HE2 PHE 50 53.423 66.943 57.414 392 HE2 PHE 50 HE1 PHE 50 54.710 69.218 53.962 393 HZ PHE 50 HZ PHE 50 54.493 67.132 55.204 394 H LYS 51 H LYS 51 49.656 69.936 55.486 395 HA LYS 51 HA LYS 51 49.238 68.142 57.841 396 1HB LYS 51 2HB LYS 51 47.160 68.667 55.696 397 2HB LYS 51 1HB LYS 51 46.960 67.746 57.261 398 1HG LYS 51 2HG LYS 51 46.595 69.726 58.483 399 2HG LYS 51 1HG LYS 51 47.905 70.587 57.569 400 1HD LYS 51 2HD LYS 51 46.368 70.670 55.609 401 2HD LYS 51 1HD LYS 51 45.038 69.924 56.599 402 1HE LYS 51 2HE LYS 51 46.520 72.216 57.781 403 2HE LYS 51 1HE LYS 51 45.323 72.656 56.430 404 1HZ LYS 51 1HZ LYS 51 44.776 71.168 58.974 405 2HZ LYS 51 3HZ LYS 51 44.359 72.760 58.628 406 3HZ LYS 51 2HZ LYS 51 43.648 71.501 57.789 407 H THR 52 H THR 52 50.903 66.778 57.166 408 HA THR 52 HA THR 52 50.783 65.507 54.494 409 HB THR 52 HB THR 52 52.359 65.316 56.981 410 HG1 THR 52 1HG THR 52 53.775 64.828 55.449 411 1HG2 THR 52 3HG2 THR 52 51.092 63.005 57.123 412 2HG2 THR 52 2HG2 THR 52 51.678 62.652 55.483 413 3HG2 THR 52 1HG2 THR 52 52.885 62.823 56.814 414 H LYS 53 H LYS 53 49.939 63.476 53.963 415 HA LYS 53 HA LYS 53 48.337 62.116 56.082 416 1HB LYS 53 2HB LYS 53 46.361 62.367 53.984 417 2HB LYS 53 1HB LYS 53 46.325 63.046 55.679 418 1HG LYS 53 2HG LYS 53 46.008 64.958 54.478 419 2HG LYS 53 1HG LYS 53 47.818 64.931 54.108 420 1HD LYS 53 2HD LYS 53 46.835 65.160 52.014 421 2HD LYS 53 1HD LYS 53 47.174 63.379 52.161 422 1HE LYS 53 2HE LYS 53 44.801 63.671 51.261 423 2HE LYS 53 1HE LYS 53 44.759 63.036 52.971 424 1HZ LYS 53 2HZ LYS 53 44.911 65.948 52.687 425 2HZ LYS 53 1HZ LYS 53 43.616 65.261 51.936 426 3HZ LYS 53 3HZ LYS 53 43.867 65.004 53.594 427 H THR 54 H THR 54 47.711 60.149 55.599 428 HA THR 54 HA THR 54 48.958 59.091 53.075 429 HB THR 54 HB THR 54 49.859 58.469 55.409 430 HG1 THR 54 1HG THR 54 49.201 56.474 53.477 431 1HG2 THR 54 1HG2 THR 54 47.377 57.817 56.106 432 2HG2 THR 54 3HG2 THR 54 47.626 56.246 55.236 433 3HG2 THR 54 2HG2 THR 54 48.729 56.703 56.584 434 H ASN 55 H ASN 55 47.787 57.406 51.968 435 HA ASN 55 HA ASN 55 44.874 57.203 52.708 436 1HB ASN 55 2HB ASN 55 45.378 59.072 50.994 437 2HB ASN 55 1HB ASN 55 45.579 57.643 49.787 438 1HD2 ASN 55 2HD2 ASN 55 42.028 58.876 49.836 439 2HD2 ASN 55 1HD2 ASN 55 43.724 59.672 49.528 440 H SER 56 H SER 56 46.352 55.422 53.403 441 HA SER 56 HA SER 56 46.854 53.091 51.704 442 1HB SER 56 2HB SER 56 46.590 52.010 54.208 443 2HB SER 56 1HB SER 56 48.062 53.011 53.705 444 HG SER 56 HG SER 56 47.522 54.045 55.335 445 H THR 57 H THR 57 44.665 52.754 54.408 446 HA THR 57 HA THR 57 42.162 52.607 53.746 447 HB THR 57 HB THR 57 43.588 50.562 51.929 448 HG1 THR 57 1HG THR 57 41.942 51.238 50.564 449 1HG2 THR 57 2HG2 THR 57 41.126 50.155 53.663 450 2HG2 THR 57 1HG2 THR 57 41.023 49.731 51.882 451 3HG2 THR 57 3HG2 THR 57 42.216 48.895 52.974 452 H PHE 58 H PHE 58 44.750 50.303 54.073 453 HA PHE 58 HA PHE 58 43.581 48.748 56.167 454 1HB PHE 58 2HB PHE 58 46.602 49.404 55.758 455 2HB PHE 58 1HB PHE 58 46.009 48.591 57.253 456 HD1 PHE 58 HD1 PHE 58 43.910 46.783 56.362 457 HD2 PHE 58 HD2 PHE 58 47.654 47.817 54.503 458 HE1 PHE 58 HE1 PHE 58 43.973 44.529 55.226 459 HE2 PHE 58 HE2 PHE 58 47.692 45.600 53.410 460 HZ PHE 58 HZ PHE 58 45.917 43.980 53.734 461 H ARG 59 H ARG 59 45.883 51.380 56.303 462 HA ARG 59 HA ARG 59 44.324 52.616 58.601 463 1HB ARG 59 2HB ARG 59 46.501 50.839 59.234 464 2HB ARG 59 1HB ARG 59 47.092 52.568 59.491 465 1HG ARG 59 2HG ARG 59 44.846 52.989 60.751 466 2HG ARG 59 1HG ARG 59 44.621 51.193 60.689 467 1HD ARG 59 2HD ARG 59 46.787 50.871 61.848 468 2HD ARG 59 1HD ARG 59 47.013 52.646 61.908 469 HE ARG 59 HE ARG 59 44.459 52.028 63.054 470 1HH1 ARG 59 1HH2 ARG 59 47.997 51.684 63.646 471 2HH1 ARG 59 2HH2 ARG 59 47.826 51.747 65.381 472 1HH2 ARG 59 1HH1 ARG 59 44.381 52.109 65.568 473 2HH2 ARG 59 2HH1 ARG 59 45.870 51.979 66.415 474 H ASN 60 H ASN 60 44.012 54.429 58.090 475 HA ASN 60 HA ASN 60 46.321 55.942 56.935 476 1HB ASN 60 2HB ASN 60 43.788 57.429 56.916 477 2HB ASN 60 1HB ASN 60 44.788 56.864 55.449 478 1HD2 ASN 60 1HD2 ASN 60 41.290 55.213 55.998 479 2HD2 ASN 60 2HD2 ASN 60 41.736 56.815 56.578 480 H TYR 61 H TYR 61 47.395 56.532 58.473 481 HA TYR 61 HA TYR 61 46.158 58.238 60.638 482 1HB TYR 61 2HB TYR 61 48.152 56.020 60.712 483 2HB TYR 61 1HB TYR 61 48.826 57.580 61.408 484 HD1 TYR 61 HD1 TYR 61 47.831 58.639 63.298 485 HD2 TYR 61 HD2 TYR 61 46.263 54.885 61.796 486 HE1 TYR 61 HE1 TYR 61 46.560 58.327 65.432 487 HE2 TYR 61 HE2 TYR 61 45.025 54.624 63.923 488 HH TYR 61 HH TYR 61 45.588 55.753 66.544 489 H ASP 62 H ASP 62 46.060 59.997 59.458 490 HA ASP 62 HA ASP 62 48.523 60.968 58.079 491 1HB ASP 62 2HB ASP 62 47.146 63.019 57.632 492 2HB ASP 62 1HB ASP 62 46.494 61.379 56.985 493 H LEU 63 H LEU 63 49.243 63.101 58.170 494 HA LEU 63 HA LEU 63 49.800 63.957 60.996 495 1HB LEU 63 2HB LEU 63 51.496 63.292 59.003 496 2HB LEU 63 1HB LEU 63 51.100 64.976 58.432 497 HG LEU 63 HG LEU 63 51.927 65.837 60.687 498 1HD1 LEU 63 2HD1 LEU 63 51.781 62.890 61.088 499 2HD1 LEU 63 1HD1 LEU 63 53.098 63.723 62.045 500 3HD1 LEU 63 3HD1 LEU 63 51.418 64.243 62.286 501 1HD2 LEU 63 2HD2 LEU 63 53.394 64.833 58.571 502 2HD2 LEU 63 1HD2 LEU 63 54.171 65.733 59.898 503 3HD2 LEU 63 3HD2 LEU 63 54.117 63.863 59.912 504 H ASP 64 H ASP 64 47.305 64.721 60.417 505 HA ASP 64 HA ASP 64 47.546 67.400 59.115 506 1HB ASP 64 2HB ASP 64 45.576 65.707 58.876 507 2HB ASP 64 1HB ASP 64 45.173 66.170 60.679 508 H PHE 65 H PHE 65 48.684 68.723 60.251 509 HA PHE 65 HA PHE 65 47.367 69.763 62.687 510 1HB PHE 65 2HB PHE 65 49.386 69.621 64.132 511 2HB PHE 65 1HB PHE 65 48.707 68.024 63.597 512 HD1 PHE 65 HD1 PHE 65 50.800 69.683 60.919 513 HD2 PHE 65 HD2 PHE 65 50.678 67.150 64.468 514 HE1 PHE 65 HE1 PHE 65 52.918 68.769 60.359 515 HE2 PHE 65 HE2 PHE 65 52.832 66.221 63.868 516 HZ PHE 65 HZ PHE 65 54.014 67.005 61.793 517 H THR 66 H THR 66 50.270 71.060 63.159 518 HA THR 66 HA THR 66 50.409 72.860 60.797 519 HB THR 66 HB THR 66 49.168 73.402 63.472 520 HG1 THR 66 1HG THR 66 48.128 74.828 61.686 521 1HG2 THR 66 2HG2 THR 66 51.278 75.124 62.703 522 2HG2 THR 66 1HG2 THR 66 50.013 75.813 61.613 523 3HG2 THR 66 3HG2 THR 66 49.824 75.804 63.415 524 H VAL 67 H VAL 67 52.357 74.049 60.887 525 HA VAL 67 HA VAL 67 54.449 72.702 62.578 526 HB VAL 67 HB VAL 67 54.784 75.162 60.755 527 1HG1 VAL 67 1HG1 VAL 67 56.429 72.813 61.798 528 2HG1 VAL 67 3HG1 VAL 67 57.011 73.831 60.391 529 3HG1 VAL 67 2HG1 VAL 67 56.773 74.617 62.010 530 1HG2 VAL 67 1HG2 VAL 67 53.779 72.611 59.950 531 2HG2 VAL 67 3HG2 VAL 67 54.467 73.923 58.920 532 3HG2 VAL 67 2HG2 VAL 67 55.562 72.573 59.528 533 H GLY 68 H GLY 68 55.870 73.428 63.803 534 1HA GLY 68 1HA GLY 68 56.344 74.410 65.892 535 2HA GLY 68 2HA GLY 68 56.124 75.968 64.957 536 H VAL 69 H VAL 69 53.551 73.645 65.514 537 HA VAL 69 HA VAL 69 52.256 75.800 67.229 538 HB VAL 69 HB VAL 69 51.421 74.308 65.024 539 1HG1 VAL 69 3HG1 VAL 69 51.749 72.206 66.513 540 2HG1 VAL 69 2HG1 VAL 69 50.146 72.588 67.245 541 3HG1 VAL 69 1HG1 VAL 69 50.192 72.330 65.493 542 1HG2 VAL 69 2HG2 VAL 69 50.257 76.192 66.462 543 2HG2 VAL 69 1HG2 VAL 69 49.303 75.107 65.362 544 3HG2 VAL 69 3HG2 VAL 69 49.257 74.836 67.143 545 H GLU 70 H GLU 70 54.001 73.026 67.364 546 HA GLU 70 HA GLU 70 54.437 71.537 69.080 547 1HB GLU 70 2HB GLU 70 54.418 73.711 70.434 548 2HB GLU 70 1HB GLU 70 52.699 73.237 70.913 549 1HG GLU 70 2HG GLU 70 53.840 70.882 71.347 550 2HG GLU 70 1HG GLU 70 55.284 72.041 71.812 551 H PHE 71 H PHE 71 53.680 69.823 68.501 552 HA PHE 71 HA PHE 71 50.735 69.328 68.643 553 1HB PHE 71 2HB PHE 71 52.470 68.347 66.916 554 2HB PHE 71 1HB PHE 71 52.692 67.072 68.174 555 HD1 PHE 71 HD1 PHE 71 49.570 68.955 66.957 556 HD2 PHE 71 HD2 PHE 71 51.578 65.212 67.540 557 HE1 PHE 71 HE1 PHE 71 47.605 67.775 66.232 558 HE2 PHE 71 HE2 PHE 71 49.548 63.951 66.814 559 HZ PHE 71 HZ PHE 71 47.549 65.236 66.138 560 H ASP 72 H ASP 72 50.062 69.353 70.684 561 HA ASP 72 HA ASP 72 51.279 67.662 72.709 562 1HB ASP 72 2HB ASP 72 49.142 68.247 73.996 563 2HB ASP 72 1HB ASP 72 50.007 69.693 73.282 564 H GLU 73 H GLU 73 51.375 65.809 71.381 565 HA GLU 73 HA GLU 73 49.411 64.265 70.136 566 1HB GLU 73 2HB GLU 73 52.021 63.929 70.683 567 2HB GLU 73 1HB GLU 73 51.363 62.791 71.924 568 1HG GLU 73 2HG GLU 73 49.890 61.748 70.285 569 2HG GLU 73 1HG GLU 73 50.658 62.812 68.911 570 H HIS 74 H HIS 74 47.771 63.326 70.619 571 HA HIS 74 HA HIS 74 47.389 62.229 73.384 572 1HB HIS 74 2HB HIS 74 45.828 64.497 72.220 573 2HB HIS 74 1HB HIS 74 44.782 63.029 72.456 574 HD1 HIS 74 HD1 HIS 74 45.119 61.838 74.899 575 HD2 HIS 74 HD2 HIS 74 46.289 65.890 74.441 576 HE1 HIS 74 HE1 HIS 74 45.258 62.902 77.304 577 HE2 HIS 74 HE2 HIS 74 45.980 65.349 76.960 578 H THR 75 H THR 75 48.343 60.830 71.594 579 HA THR 75 HA THR 75 46.434 59.437 69.944 580 HB THR 75 HB THR 75 48.746 59.434 69.406 581 HG1 THR 75 1HG THR 75 49.139 56.994 69.844 582 1HG2 THR 75 2HG2 THR 75 48.965 59.081 72.312 583 2HG2 THR 75 1HG2 THR 75 49.622 57.501 71.690 584 3HG2 THR 75 3HG2 THR 75 50.398 59.084 71.251 585 H LYS 76 H LYS 76 46.779 56.845 70.248 586 HA LYS 76 HA LYS 76 46.412 55.901 73.063 587 1HB LYS 76 2HB LYS 76 44.067 57.059 71.695 588 2HB LYS 76 1HB LYS 76 43.972 55.267 71.644 589 1HG LYS 76 2HG LYS 76 43.197 55.365 73.781 590 2HG LYS 76 1HG LYS 76 44.893 55.753 74.280 591 1HD LYS 76 2HD LYS 76 43.976 57.710 75.093 592 2HD LYS 76 1HD LYS 76 43.961 58.215 73.304 593 1HE LYS 76 2HE LYS 76 41.659 58.564 74.086 594 2HE LYS 76 1HE LYS 76 41.696 57.016 73.167 595 1HZ LYS 76 2HZ LYS 76 42.055 55.886 75.352 596 2HZ LYS 76 1HZ LYS 76 41.634 57.359 76.071 597 3HZ LYS 76 3HZ LYS 76 40.519 56.579 75.153 598 H GLY 77 H GLY 77 45.377 55.324 69.807 599 1HA GLY 77 1HA GLY 77 45.773 52.395 70.152 600 2HA GLY 77 2HA GLY 77 45.122 53.187 68.649 601 H LEU 78 H LEU 78 47.979 53.186 70.572 602 HA LEU 78 HA LEU 78 49.736 52.113 68.523 603 1HB LEU 78 2HB LEU 78 48.949 54.549 67.700 604 2HB LEU 78 1HB LEU 78 50.130 55.162 68.915 605 HG LEU 78 HG LEU 78 51.779 53.565 67.730 606 1HD1 LEU 78 3HD1 LEU 78 49.758 52.395 66.534 607 2HD1 LEU 78 2HD1 LEU 78 49.845 53.825 65.388 608 3HD1 LEU 78 1HD1 LEU 78 51.281 52.708 65.590 609 1HD2 LEU 78 3HD2 LEU 78 51.740 56.120 67.466 610 2HD2 LEU 78 2HD2 LEU 78 52.190 55.407 65.918 611 3HD2 LEU 78 1HD2 LEU 78 50.469 55.967 66.190 612 H ASP 79 H ASP 79 49.394 54.375 71.221 613 HA ASP 79 HA ASP 79 51.919 53.295 72.358 614 1HB ASP 79 2HB ASP 79 52.326 55.588 71.229 615 2HB ASP 79 1HB ASP 79 51.352 56.315 72.643 616 H GLY 80 H GLY 80 49.214 55.621 72.816 617 1HA GLY 80 1HA GLY 80 47.819 56.081 74.531 618 2HA GLY 80 2HA GLY 80 47.972 54.314 75.022 619 H ARG 81 H ARG 81 49.494 57.360 74.732 620 HA ARG 81 HA ARG 81 50.381 57.184 77.650 621 1HB ARG 81 2HB ARG 81 52.346 56.672 76.357 622 2HB ARG 81 1HB ARG 81 52.102 58.127 75.244 623 1HG ARG 81 2HG ARG 81 53.796 58.835 76.817 624 2HG ARG 81 1HG ARG 81 52.314 59.494 77.556 625 1HD ARG 81 2HD ARG 81 53.831 58.323 79.108 626 2HD ARG 81 1HD ARG 81 52.214 57.434 79.112 627 HE ARG 81 HE ARG 81 54.198 56.436 77.165 628 1HH1 ARG 81 2HH2 ARG 81 53.041 56.369 80.625 629 2HH1 ARG 81 1HH2 ARG 81 53.695 54.782 80.915 630 1HH2 ARG 81 1HH1 ARG 81 55.076 54.178 77.723 631 2HH2 ARG 81 2HH1 ARG 81 54.816 53.577 79.321 632 H ASN 82 H ASN 82 51.120 59.851 75.450 633 HA ASN 82 HA ASN 82 49.565 61.736 75.344 634 1HB ASN 82 2HB ASN 82 49.750 61.405 78.461 635 2HB ASN 82 1HB ASN 82 49.417 63.053 77.666 636 1HD2 ASN 82 2HD2 ASN 82 46.239 61.421 78.397 637 2HD2 ASN 82 1HD2 ASN 82 47.652 61.858 79.362 638 H VAL 83 H VAL 83 51.406 61.784 74.264 639 HA VAL 83 HA VAL 83 53.744 63.218 75.497 640 HB VAL 83 HB VAL 83 54.289 62.537 72.802 641 1HG1 VAL 83 2HG1 VAL 83 56.022 62.762 74.546 642 2HG1 VAL 83 1HG1 VAL 83 55.322 61.393 75.448 643 3HG1 VAL 83 3HG1 VAL 83 56.046 61.095 73.804 644 1HG2 VAL 83 2HG2 VAL 83 53.111 60.181 74.434 645 2HG2 VAL 83 1HG2 VAL 83 52.549 60.834 72.844 646 3HG2 VAL 83 3HG2 VAL 83 54.174 60.045 72.935 647 H LYS 84 H LYS 84 54.996 64.286 73.872 648 HA LYS 84 HA LYS 84 53.386 66.465 72.537 649 1HB LYS 84 2HB LYS 84 55.976 66.509 74.051 650 2HB LYS 84 1HB LYS 84 55.898 67.444 72.508 651 1HG LYS 84 2HG LYS 84 54.099 68.796 73.144 652 2HG LYS 84 1HG LYS 84 53.496 67.574 74.358 653 1HD LYS 84 2HD LYS 84 56.258 68.868 74.694 654 2HD LYS 84 1HD LYS 84 54.756 69.750 75.276 655 1HE LYS 84 2HE LYS 84 55.087 66.708 75.890 656 2HE LYS 84 1HE LYS 84 56.117 67.887 76.832 657 1HZ LYS 84 1HZ LYS 84 53.127 68.131 76.644 658 2HZ LYS 84 3HZ LYS 84 53.950 67.348 77.846 659 3HZ LYS 84 2HZ LYS 84 54.198 68.960 77.608 660 H THR 85 H THR 85 54.231 67.307 70.574 661 HA THR 85 HA THR 85 56.290 65.709 69.049 662 HB THR 85 HB THR 85 53.301 65.342 68.856 663 HG1 THR 85 1HG THR 85 53.929 63.507 69.162 664 1HG2 THR 85 3HG2 THR 85 55.408 65.139 66.500 665 2HG2 THR 85 2HG2 THR 85 53.796 64.201 66.546 666 3HG2 THR 85 1HG2 THR 85 53.842 65.992 66.521 667 H LEU 86 H LEU 86 57.069 67.644 69.513 668 HA LEU 86 HA LEU 86 56.102 70.070 68.308 669 1HB LEU 86 2HB LEU 86 58.188 69.744 69.985 670 2HB LEU 86 1HB LEU 86 59.111 69.385 68.451 671 HG LEU 86 HG LEU 86 58.005 71.726 67.616 672 1HD1 LEU 86 3HD1 LEU 86 58.431 71.802 70.671 673 2HD1 LEU 86 2HD1 LEU 86 58.272 73.263 69.653 674 3HD1 LEU 86 1HD1 LEU 86 56.840 72.119 69.759 675 1HD2 LEU 86 3HD2 LEU 86 60.503 70.849 68.021 676 2HD2 LEU 86 2HD2 LEU 86 60.199 72.639 68.156 677 3HD2 LEU 86 1HD2 LEU 86 60.304 71.556 69.644 678 H VAL 87 H VAL 87 56.520 71.064 66.413 679 HA VAL 87 HA VAL 87 57.757 69.511 64.234 680 HB VAL 87 HB VAL 87 55.120 71.198 64.005 681 1HG1 VAL 87 3HG1 VAL 87 56.821 70.329 61.985 682 2HG1 VAL 87 2HG1 VAL 87 55.843 68.856 62.271 683 3HG1 VAL 87 1HG1 VAL 87 55.018 70.387 61.809 684 1HG2 VAL 87 3HG2 VAL 87 55.489 68.185 64.643 685 2HG2 VAL 87 2HG2 VAL 87 54.427 69.405 65.481 686 3HG2 VAL 87 1HG2 VAL 87 54.077 68.845 63.805 687 H THR 88 H THR 88 58.692 70.856 62.600 688 HA THR 88 HA THR 88 58.653 73.767 62.893 689 HB THR 88 HB THR 88 60.577 71.822 64.205 690 HG1 THR 88 1HG THR 88 59.251 73.483 65.190 691 1HG2 THR 88 2HG2 THR 88 61.643 74.375 62.749 692 2HG2 THR 88 1HG2 THR 88 62.490 73.469 64.036 693 3HG2 THR 88 3HG2 THR 88 62.185 72.618 62.458 694 H TRP 89 H TRP 89 60.162 74.765 61.511 695 HA TRP 89 HA TRP 89 60.630 73.432 58.836 696 1HB TRP 89 2HB TRP 89 60.334 76.260 59.982 697 2HB TRP 89 1HB TRP 89 61.154 76.044 58.400 698 HD1 TRP 89 HD1 TRP 89 57.668 76.367 59.727 699 HE1 TRP 89 HE1 TRP 89 56.127 75.223 58.061 700 HE3 TRP 89 HE3 TRP 89 61.131 74.033 57.008 701 HZ2 TRP 89 HZ2 TRP 89 56.406 73.398 55.751 702 HZ3 TRP 89 HZ3 TRP 89 60.564 72.559 55.093 703 HH2 TRP 89 HH2 TRP 89 58.276 72.304 54.590 704 H GLU 90 H GLU 90 62.753 72.457 58.613 705 HA GLU 90 HA GLU 90 64.702 73.607 60.403 706 1HB GLU 90 2HB GLU 90 64.407 71.213 59.459 707 2HB GLU 90 1HB GLU 90 65.208 71.885 57.947 708 1HG GLU 90 2HG GLU 90 66.818 70.642 59.726 709 2HG GLU 90 1HG GLU 90 67.240 72.361 59.158 710 H GLY 91 H GLY 91 63.966 73.605 57.079 711 1HA GLY 91 1HA GLY 91 64.567 76.208 56.414 712 2HA GLY 91 2HA GLY 91 66.103 75.298 56.000 713 H ASN 92 H ASN 92 65.047 72.925 55.587 714 HA ASN 92 HA ASN 92 63.019 72.847 53.385 715 1HB ASN 92 2HB ASN 92 64.707 71.311 52.099 716 2HB ASN 92 1HB ASN 92 65.135 73.155 52.131 717 1HD2 ASN 92 1HD2 ASN 92 67.980 72.842 53.939 718 2HD2 ASN 92 2HD2 ASN 92 66.779 73.865 53.212 719 H THR 93 H THR 93 62.375 72.243 55.579 720 HA THR 93 HA THR 93 61.327 69.710 55.451 721 HB THR 93 HB THR 93 63.210 68.468 55.698 722 HG1 THR 93 1HG THR 93 63.339 68.205 58.181 723 1HG2 THR 93 1HG2 THR 93 64.587 70.672 56.561 724 2HG2 THR 93 3HG2 THR 93 64.505 69.772 58.167 725 3HG2 THR 93 2HG2 THR 93 65.244 69.002 56.753 726 H LEU 94 H LEU 94 60.251 68.943 56.943 727 HA LEU 94 HA LEU 94 58.908 70.832 58.715 728 1HB LEU 94 2HB LEU 94 57.912 69.020 56.920 729 2HB LEU 94 1HB LEU 94 57.966 68.021 58.441 730 HG LEU 94 HG LEU 94 57.132 70.138 59.598 731 1HD1 LEU 94 3HD1 LEU 94 56.244 70.535 56.657 732 2HD1 LEU 94 2HD1 LEU 94 55.061 70.891 58.035 733 3HD1 LEU 94 1HD1 LEU 94 56.661 71.761 57.960 734 1HD2 LEU 94 1HD2 LEU 94 55.567 68.009 58.071 735 2HD2 LEU 94 3HD2 LEU 94 55.993 67.985 59.788 736 3HD2 LEU 94 2HD2 LEU 94 54.728 69.200 59.189 737 H VAL 95 H VAL 95 61.440 68.987 59.351 738 HA VAL 95 HA VAL 95 61.905 67.407 61.092 739 HB VAL 95 HB VAL 95 61.608 70.390 61.718 740 1HG1 VAL 95 2HG1 VAL 95 62.702 68.356 63.641 741 2HG1 VAL 95 1HG1 VAL 95 63.790 69.797 63.391 742 3HG1 VAL 95 3HG1 VAL 95 62.094 70.079 63.837 743 1HG2 VAL 95 3HG2 VAL 95 63.263 69.633 59.866 744 2HG2 VAL 95 2HG2 VAL 95 64.113 70.489 61.248 745 3HG2 VAL 95 1HG2 VAL 95 64.211 68.682 61.156 746 H CYS 96 H CYS 96 60.663 66.206 62.698 747 HA CYS 96 HA CYS 96 59.339 67.925 64.706 748 1HB CYS 96 2HB CYS 96 58.092 65.185 64.201 749 2HB CYS 96 1HB CYS 96 57.218 66.673 64.646 750 HG CYS 96 HG CYS 96 58.754 65.827 61.756 751 H VAL 97 H VAL 97 59.119 67.127 66.694 752 HA VAL 97 HA VAL 97 60.965 64.914 67.393 753 HB VAL 97 HB VAL 97 60.528 67.273 69.179 754 1HG1 VAL 97 3HG1 VAL 97 61.981 65.211 69.705 755 2HG1 VAL 97 2HG1 VAL 97 63.193 65.791 68.493 756 3HG1 VAL 97 1HG1 VAL 97 62.775 66.787 70.004 757 1HG2 VAL 97 2HG2 VAL 97 62.005 67.283 66.493 758 2HG2 VAL 97 1HG2 VAL 97 60.911 68.509 67.307 759 3HG2 VAL 97 3HG2 VAL 97 62.609 68.295 67.909 760 H GLN 98 H GLN 98 60.003 63.343 68.595 761 HA GLN 98 HA GLN 98 57.517 63.971 70.157 762 1HB GLN 98 2HB GLN 98 57.694 61.840 68.807 763 2HB GLN 98 1HB GLN 98 58.968 61.239 69.998 764 1HG GLN 98 2HG GLN 98 57.333 60.813 71.588 765 2HG GLN 98 1HG GLN 98 56.492 62.403 71.304 766 1HE2 GLN 98 1HE2 GLN 98 54.557 61.055 68.533 767 2HE2 GLN 98 2HE2 GLN 98 55.703 62.357 68.851 768 H LYS 99 H LYS 99 57.624 64.716 71.953 769 HA LYS 99 HA LYS 99 59.956 64.984 73.574 770 1HB LYS 99 2HB LYS 99 57.908 66.187 74.131 771 2HB LYS 99 1HB LYS 99 57.039 64.669 74.562 772 1HG LYS 99 2HG LYS 99 57.696 65.610 76.656 773 2HG LYS 99 1HG LYS 99 59.029 64.418 76.410 774 1HD LYS 99 2HD LYS 99 60.178 66.344 77.052 775 2HD LYS 99 1HD LYS 99 60.237 66.551 75.214 776 1HE LYS 99 2HE LYS 99 57.918 67.743 75.619 777 2HE LYS 99 1HE LYS 99 58.491 67.932 77.327 778 1HZ LYS 99 2HZ LYS 99 60.446 68.545 75.271 779 2HZ LYS 99 1HZ LYS 99 59.162 69.652 75.384 780 3HZ LYS 99 3HZ LYS 99 60.138 69.322 76.698 781 H GLY 100 H GLY 100 57.681 62.436 73.247 782 1HA GLY 100 1HA GLY 100 57.814 60.134 73.761 783 2HA GLY 100 2HA GLY 100 59.563 60.368 74.065 784 H GLU 101 H GLU 101 60.306 61.116 75.810 785 HA GLU 101 HA GLU 101 60.591 61.532 78.068 786 1HB GLU 101 2HB GLU 101 57.740 60.320 78.519 787 2HB GLU 101 1HB GLU 101 58.832 61.072 79.726 788 1HG GLU 101 2HG GLU 101 58.754 63.195 78.190 789 2HG GLU 101 1HG GLU 101 57.145 62.446 77.564 790 H LYS 102 H LYS 102 61.175 59.456 76.415 791 HA LYS 102 HA LYS 102 62.526 57.610 78.043 792 1HB LYS 102 2HB LYS 102 61.030 55.512 77.514 793 2HB LYS 102 1HB LYS 102 60.610 56.620 78.922 794 1HG LYS 102 2HG LYS 102 58.504 56.629 78.085 795 2HG LYS 102 1HG LYS 102 59.108 57.760 76.833 796 1HD LYS 102 2HD LYS 102 58.215 56.106 75.460 797 2HD LYS 102 1HD LYS 102 59.915 55.476 75.623 798 1HE LYS 102 2HE LYS 102 58.537 54.364 77.836 799 2HE LYS 102 1HE LYS 102 57.370 54.331 76.417 800 1HZ LYS 102 2HZ LYS 102 60.182 53.543 76.208 801 2HZ LYS 102 1HZ LYS 102 59.205 52.434 76.900 802 3HZ LYS 102 3HZ LYS 102 58.965 52.932 75.292 803 H GLU 103 H GLU 103 60.567 57.847 75.108 804 HA GLU 103 HA GLU 103 62.920 56.706 73.578 805 1HB GLU 103 2HB GLU 103 61.253 55.934 71.883 806 2HB GLU 103 1HB GLU 103 61.302 54.926 73.423 807 1HG GLU 103 2HG GLU 103 59.239 55.105 73.849 808 2HG GLU 103 1HG GLU 103 59.302 57.010 73.770 809 H ASN 104 H ASN 104 63.278 57.136 71.593 810 HA ASN 104 HA ASN 104 62.487 59.882 70.860 811 1HB ASN 104 2HB ASN 104 64.276 57.615 69.709 812 2HB ASN 104 1HB ASN 104 64.258 59.342 69.004 813 1HD2 ASN 104 1HD2 ASN 104 66.619 58.314 72.077 814 2HD2 ASN 104 2HD2 ASN 104 65.807 57.147 70.855 815 H ARG 105 H ARG 105 60.400 59.931 70.140 816 HA ARG 105 HA ARG 105 59.542 57.807 68.180 817 1HB ARG 105 2HB ARG 105 58.434 57.838 70.549 818 2HB ARG 105 1HB ARG 105 57.807 59.428 70.124 819 1HG ARG 105 2HG ARG 105 56.275 57.349 69.691 820 2HG ARG 105 1HG ARG 105 56.431 58.688 68.398 821 1HD ARG 105 2HD ARG 105 58.312 56.357 68.191 822 2HD ARG 105 1HD ARG 105 56.602 56.021 67.795 823 HE ARG 105 HE ARG 105 58.540 57.545 66.285 824 1HH1 ARG 105 1HH1 ARG 105 55.119 57.532 67.136 825 2HH1 ARG 105 2HH1 ARG 105 54.554 58.413 65.680 826 1HH2 ARG 105 2HH2 ARG 105 57.815 58.723 64.306 827 2HH2 ARG 105 1HH2 ARG 105 56.164 59.111 64.028 828 H GLY 106 H GLY 106 60.960 60.126 67.951 829 1HA GLY 106 1HA GLY 106 59.119 62.186 66.635 830 2HA GLY 106 2HA GLY 106 60.912 62.252 66.770 831 H TRP 107 H TRP 107 58.635 62.118 64.623 832 HA TRP 107 HA TRP 107 60.365 60.782 62.619 833 1HB TRP 107 2HB TRP 107 58.521 60.105 61.300 834 2HB TRP 107 1HB TRP 107 57.677 60.050 62.918 835 HD1 TRP 107 HD1 TRP 107 57.922 62.051 59.548 836 HE1 TRP 107 HE1 TRP 107 56.368 64.077 59.639 837 HE3 TRP 107 HE3 TRP 107 56.776 61.780 64.470 838 HZ2 TRP 107 HZ2 TRP 107 55.064 65.294 61.504 839 HZ3 TRP 107 HZ3 TRP 107 55.320 63.459 65.399 840 HH2 TRP 107 HH2 TRP 107 54.454 65.241 63.887 841 H LYS 108 H LYS 108 60.707 61.753 60.746 842 HA LYS 108 HA LYS 108 59.895 64.605 60.558 843 1HB LYS 108 2HB LYS 108 62.689 64.370 59.675 844 2HB LYS 108 1HB LYS 108 62.114 65.459 61.030 845 1HG LYS 108 2HG LYS 108 62.008 63.218 62.458 846 2HG LYS 108 1HG LYS 108 63.040 62.587 61.063 847 1HD LYS 108 2HD LYS 108 64.714 63.280 62.576 848 2HD LYS 108 1HD LYS 108 64.455 64.901 61.808 849 1HE LYS 108 2HE LYS 108 64.361 64.982 64.282 850 2HE LYS 108 1HE LYS 108 62.643 65.250 63.601 851 1HZ LYS 108 1HZ LYS 108 63.265 62.529 64.055 852 2HZ LYS 108 3HZ LYS 108 63.385 63.365 65.522 853 3HZ LYS 108 2HZ LYS 108 61.980 63.343 64.608 854 H GLN 109 H GLN 109 61.330 65.543 58.677 855 HA GLN 109 HA GLN 109 60.946 63.579 56.402 856 1HB GLN 109 2HB GLN 109 59.325 65.454 55.338 857 2HB GLN 109 1HB GLN 109 58.615 64.262 56.565 858 1HG GLN 109 2HG GLN 109 59.675 67.106 57.176 859 2HG GLN 109 1HG GLN 109 57.899 66.569 56.898 860 1HE2 GLN 109 2HE2 GLN 109 58.103 64.655 60.018 861 2HE2 GLN 109 1HE2 GLN 109 57.665 64.257 58.261 862 H TRP 110 H TRP 110 62.689 63.941 55.095 863 HA TRP 110 HA TRP 110 63.248 66.846 54.494 864 1HB TRP 110 2HB TRP 110 65.705 65.903 54.488 865 2HB TRP 110 1HB TRP 110 64.823 66.545 55.968 866 HD1 TRP 110 HD1 TRP 110 65.153 63.043 54.208 867 HE1 TRP 110 HE1 TRP 110 65.450 61.298 56.177 868 HE3 TRP 110 HE3 TRP 110 64.847 66.279 57.840 869 HZ2 TRP 110 HZ2 TRP 110 65.554 61.582 58.941 870 HZ3 TRP 110 HZ3 TRP 110 65.047 65.683 60.195 871 HH2 TRP 110 HH2 TRP 110 65.422 63.263 60.721 872 H VAL 111 H VAL 111 63.232 67.299 52.599 873 HA VAL 111 HA VAL 111 62.928 65.575 50.288 874 HB VAL 111 HB VAL 111 64.065 68.386 50.828 875 1HG1 VAL 111 1HG1 VAL 111 64.831 67.552 48.533 876 2HG1 VAL 111 3HG1 VAL 111 63.105 67.245 48.088 877 3HG1 VAL 111 2HG1 VAL 111 63.626 68.902 48.371 878 1HG2 VAL 111 2HG2 VAL 111 61.461 67.555 51.222 879 2HG2 VAL 111 1HG2 VAL 111 61.848 69.255 50.758 880 3HG2 VAL 111 3HG2 VAL 111 61.381 68.023 49.484 881 H GLU 112 H GLU 112 64.276 63.993 49.988 882 HA GLU 112 HA GLU 112 67.155 64.691 49.920 883 1HB GLU 112 2HB GLU 112 65.904 62.652 51.139 884 2HB GLU 112 1HB GLU 112 66.250 61.800 49.598 885 1HG GLU 112 2HG GLU 112 68.385 63.478 51.040 886 2HG GLU 112 1HG GLU 112 68.064 61.642 51.448 887 H GLY 113 H GLY 113 65.641 65.669 47.935 888 1HA GLY 113 1HA GLY 113 66.351 66.055 45.654 889 2HA GLY 113 2HA GLY 113 66.709 64.275 45.440 890 H ASP 114 H ASP 114 65.252 63.132 44.441 891 HA ASP 114 HA ASP 114 62.954 64.451 43.240 892 1HB ASP 114 2HB ASP 114 64.022 61.558 43.513 893 2HB ASP 114 1HB ASP 114 62.435 61.916 42.567 894 H LYS 115 H LYS 115 63.292 61.870 45.631 895 HA LYS 115 HA LYS 115 60.386 61.914 46.425 896 1HB LYS 115 2HB LYS 115 60.877 59.680 47.353 897 2HB LYS 115 1HB LYS 115 61.697 59.755 45.742 898 1HG LYS 115 2HG LYS 115 63.558 60.835 47.747 899 2HG LYS 115 1HG LYS 115 62.884 59.215 48.205 900 1HD LYS 115 2HD LYS 115 63.644 58.212 46.155 901 2HD LYS 115 1HD LYS 115 63.714 59.772 45.273 902 1HE LYS 115 2HE LYS 115 66.005 59.761 45.791 903 2HE LYS 115 1HE LYS 115 65.415 60.277 47.421 904 1HZ LYS 115 3HZ LYS 115 65.183 57.562 47.575 905 2HZ LYS 115 2HZ LYS 115 66.510 57.734 46.606 906 3HZ LYS 115 1HZ LYS 115 66.419 58.495 48.136 907 H LEU 116 H LEU 116 60.342 61.191 48.815 908 HA LEU 116 HA LEU 116 62.267 62.951 50.338 909 1HB LEU 116 2HB LEU 116 60.706 64.617 49.967 910 2HB LEU 116 1HB LEU 116 59.330 63.460 49.924 911 HG LEU 116 HG LEU 116 60.791 63.562 52.571 912 1HD1 LEU 116 2HD1 LEU 116 60.227 66.009 51.272 913 2HD1 LEU 116 1HD1 LEU 116 58.864 65.785 52.421 914 3HD1 LEU 116 3HD1 LEU 116 60.539 65.752 53.068 915 1HD2 LEU 116 1HD2 LEU 116 58.167 62.851 51.480 916 2HD2 LEU 116 3HD2 LEU 116 58.834 62.403 53.078 917 3HD2 LEU 116 2HD2 LEU 116 57.983 63.949 52.960 918 H TYR 117 H TYR 117 62.763 62.389 52.227 919 HA TYR 117 HA TYR 117 61.692 59.732 52.963 920 1HB TYR 117 2HB TYR 117 63.817 61.614 54.121 921 2HB TYR 117 1HB TYR 117 63.292 60.133 55.015 922 HD1 TYR 117 HD1 TYR 117 62.797 58.183 52.665 923 HD2 TYR 117 HD2 TYR 117 66.152 60.917 53.251 924 HE1 TYR 117 HE1 TYR 117 64.210 56.843 51.277 925 HE2 TYR 117 HE2 TYR 117 67.470 59.522 51.843 926 HH TYR 117 HH TYR 117 67.646 57.547 50.833 927 H LEU 118 H LEU 118 61.220 59.119 55.062 928 HA LEU 118 HA LEU 118 59.689 61.264 56.617 929 1HB LEU 118 2HB LEU 118 58.161 59.866 55.073 930 2HB LEU 118 1HB LEU 118 58.469 58.447 56.192 931 HG LEU 118 HG LEU 118 57.702 61.019 57.617 932 1HD1 LEU 118 1HD1 LEU 118 56.123 59.887 55.354 933 2HD1 LEU 118 3HD1 LEU 118 55.225 60.245 56.842 934 3HD1 LEU 118 2HD1 LEU 118 56.142 61.583 56.041 935 1HD2 LEU 118 2HD2 LEU 118 57.107 58.049 57.667 936 2HD2 LEU 118 1HD2 LEU 118 57.486 59.168 59.106 937 3HD2 LEU 118 3HD2 LEU 118 55.888 59.210 58.376 938 H GLU 119 H GLU 119 62.291 59.822 56.683 939 HA GLU 119 HA GLU 119 62.788 57.888 58.437 940 1HB GLU 119 2HB GLU 119 64.171 60.543 58.039 941 2HB GLU 119 1HB GLU 119 64.646 59.480 59.427 942 1HG GLU 119 2HG GLU 119 64.693 57.467 57.837 943 2HG GLU 119 1HG GLU 119 64.441 58.636 56.486 944 H LEU 120 H LEU 120 62.373 57.199 60.313 945 HA LEU 120 HA LEU 120 61.650 59.310 62.321 946 1HB LEU 120 2HB LEU 120 59.549 58.770 62.814 947 2HB LEU 120 1HB LEU 120 59.610 58.372 60.995 948 HG LEU 120 HG LEU 120 60.358 55.968 62.240 949 1HD1 LEU 120 2HD1 LEU 120 59.214 57.317 64.277 950 2HD1 LEU 120 1HD1 LEU 120 57.688 56.616 63.602 951 3HD1 LEU 120 3HD1 LEU 120 59.048 55.534 64.184 952 1HD2 LEU 120 2HD2 LEU 120 58.408 56.868 60.391 953 2HD2 LEU 120 1HD2 LEU 120 58.538 55.172 61.019 954 3HD2 LEU 120 3HD2 LEU 120 57.364 56.346 61.743 955 H THR 121 H THR 121 61.544 58.652 64.436 956 HA THR 121 HA THR 121 63.127 56.125 64.932 957 HB THR 121 HB THR 121 63.212 58.750 66.571 958 HG1 THR 121 1HG THR 121 64.297 59.228 64.846 959 1HG2 THR 121 1HG2 THR 121 64.587 55.987 66.620 960 2HG2 THR 121 3HG2 THR 121 65.523 57.411 67.323 961 3HG2 THR 121 2HG2 THR 121 63.934 56.848 68.016 962 H CYS 122 H CYS 122 62.697 55.082 67.128 963 HA CYS 122 HA CYS 122 60.181 55.912 68.329 964 1HB CYS 122 2HB CYS 122 59.496 53.246 67.623 965 2HB CYS 122 1HB CYS 122 59.007 54.631 66.656 966 HG CYS 122 HG CYS 122 62.017 53.206 66.403 967 H GLY 123 H GLY 123 62.445 55.872 69.407 968 1HA GLY 123 1HA GLY 123 63.078 55.244 71.661 969 2HA GLY 123 2HA GLY 123 62.162 53.716 71.477 970 H ASP 124 H ASP 124 63.019 51.988 70.730 971 HA ASP 124 HA ASP 124 65.941 51.637 70.598 972 1HB ASP 124 2HB ASP 124 63.751 50.005 71.266 973 2HB ASP 124 1HB ASP 124 64.097 49.509 69.498 974 H GLN 125 H GLN 125 63.330 50.969 68.393 975 HA GLN 125 HA GLN 125 65.144 50.634 66.056 976 1HB GLN 125 2HB GLN 125 62.131 51.121 66.466 977 2HB GLN 125 1HB GLN 125 62.778 50.803 64.852 978 1HG GLN 125 2HG GLN 125 63.108 48.851 67.230 979 2HG GLN 125 1HG GLN 125 61.750 48.853 65.966 980 1HE2 GLN 125 1HE2 GLN 125 63.717 47.203 63.568 981 2HE2 GLN 125 2HE2 GLN 125 62.044 47.687 64.303 982 H VAL 126 H VAL 126 64.624 51.660 64.187 983 HA VAL 126 HA VAL 126 64.210 54.616 64.185 984 HB VAL 126 HB VAL 126 66.706 53.109 63.150 985 1HG1 VAL 126 3HG1 VAL 126 65.698 56.080 63.201 986 2HG1 VAL 126 2HG1 VAL 126 67.490 55.664 63.132 987 3HG1 VAL 126 1HG1 VAL 126 66.376 55.094 61.841 988 1HG2 VAL 126 1HG2 VAL 126 66.141 54.740 65.637 989 2HG2 VAL 126 3HG2 VAL 126 66.925 53.100 65.509 990 3HG2 VAL 126 2HG2 VAL 126 67.809 54.649 65.024 991 H CYS 127 H CYS 127 62.306 53.445 63.095 992 HA CYS 127 HA CYS 127 62.420 52.069 60.612 993 1HB CYS 127 2HB CYS 127 60.376 53.693 62.215 994 2HB CYS 127 1HB CYS 127 60.143 53.827 60.449 995 HG CYS 127 HG CYS 127 60.006 51.331 62.540 996 H ARG 128 H ARG 128 63.316 52.483 58.854 997 HA ARG 128 HA ARG 128 63.555 55.403 58.139 998 1HB ARG 128 2HB ARG 128 65.457 53.503 58.405 999 2HB ARG 128 1HB ARG 128 64.911 53.029 56.749 1000 1HG ARG 128 2HG ARG 128 65.167 55.667 56.221 1001 2HG ARG 128 1HG ARG 128 66.376 55.614 57.576 1002 1HD ARG 128 2HD ARG 128 66.557 53.257 55.697 1003 2HD ARG 128 1HD ARG 128 66.553 54.871 54.809 1004 HE ARG 128 HE ARG 128 68.427 55.093 56.846 1005 1HH1 ARG 128 1HH2 ARG 128 67.789 53.259 53.885 1006 2HH1 ARG 128 2HH2 ARG 128 69.460 53.069 53.446 1007 1HH2 ARG 128 1HH1 ARG 128 70.804 54.831 56.212 1008 2HH2 ARG 128 2HH1 ARG 128 71.164 53.969 54.743 1009 H GLN 129 H GLN 129 61.396 55.531 57.525 1010 HA GLN 129 HA GLN 129 60.359 53.905 55.384 1011 1HB GLN 129 2HB GLN 129 59.750 56.846 56.109 1012 2HB GLN 129 1HB GLN 129 58.700 55.756 55.065 1013 1HG GLN 129 2HG GLN 129 59.339 55.477 58.071 1014 2HG GLN 129 1HG GLN 129 57.696 55.606 57.216 1015 1HE2 GLN 129 1HE2 GLN 129 59.783 52.098 57.678 1016 2HE2 GLN 129 2HE2 GLN 129 60.472 53.658 58.107 1017 H VAL 130 H VAL 130 60.549 53.733 53.309 1018 HA VAL 130 HA VAL 130 62.394 55.736 51.996 1019 HB VAL 130 HB VAL 130 61.505 53.092 50.682 1020 1HG1 VAL 130 3HG1 VAL 130 63.437 54.946 49.999 1021 2HG1 VAL 130 2HG1 VAL 130 64.424 53.857 51.137 1022 3HG1 VAL 130 1HG1 VAL 130 63.666 53.195 49.646 1023 1HG2 VAL 130 1HG2 VAL 130 63.374 53.132 53.089 1024 2HG2 VAL 130 3HG2 VAL 130 61.787 52.215 52.917 1025 3HG2 VAL 130 2HG2 VAL 130 63.199 51.771 51.946 1026 H PHE 131 H PHE 131 61.787 56.844 50.317 1027 HA PHE 131 HA PHE 131 59.056 56.360 49.095 1028 1HB PHE 131 2HB PHE 131 60.673 58.837 49.875 1029 2HB PHE 131 1HB PHE 131 59.012 58.894 49.031 1030 HD1 PHE 131 HD1 PHE 131 60.944 58.053 52.139 1031 HD2 PHE 131 HD2 PHE 131 57.083 58.346 50.259 1032 HE1 PHE 131 HE1 PHE 131 59.898 57.790 54.374 1033 HE2 PHE 131 HE2 PHE 131 56.077 58.076 52.568 1034 HZ PHE 131 HZ PHE 131 57.486 57.803 54.566 1035 H LYS 132 H LYS 132 58.685 57.515 47.137 1036 HA LYS 132 HA LYS 132 61.152 57.910 45.434 1037 1HB LYS 132 2HB LYS 132 60.060 56.484 43.671 1038 2HB LYS 132 1HB LYS 132 60.116 55.613 45.241 1039 1HG LYS 132 2HG LYS 132 57.872 55.282 45.122 1040 2HG LYS 132 1HG LYS 132 57.531 57.059 45.208 1041 1HD LYS 132 2HD LYS 132 57.446 57.277 42.907 1042 2HD LYS 132 1HD LYS 132 58.383 55.707 42.620 1043 1HE LYS 132 2HE LYS 132 55.708 55.633 44.012 1044 2HE LYS 132 1HE LYS 132 55.632 56.099 42.255 1045 1HZ LYS 132 1HZ LYS 132 57.265 53.787 43.099 1046 2HZ LYS 132 3HZ LYS 132 55.615 53.580 43.009 1047 3HZ LYS 132 2HZ LYS 132 56.505 54.031 41.652 1048 H LYS 133 H LYS 133 58.995 59.649 46.692 1049 HA LYS 133 HA LYS 133 57.476 61.496 45.894 1050 1HB LYS 133 2HB LYS 133 58.606 62.696 44.465 1051 2HB LYS 133 1HB LYS 133 59.713 61.253 44.237 1052 1HG LYS 133 2HG LYS 133 57.886 60.389 42.516 1053 2HG LYS 133 1HG LYS 133 57.259 62.122 42.573 1054 1HD LYS 133 2HD LYS 133 59.228 63.022 41.563 1055 2HD LYS 133 1HD LYS 133 60.173 61.553 41.995 1056 1HE LYS 133 2HE LYS 133 59.548 60.433 40.217 1057 2HE LYS 133 1HE LYS 133 57.754 60.896 40.428 1058 1HZ LYS 133 1HZ LYS 133 59.640 62.946 39.525 1059 2HZ LYS 133 3HZ LYS 133 59.298 61.784 38.407 1060 3HZ LYS 133 2HZ LYS 133 58.079 62.728 39.048 1061 H LYS 134 H LYS 134 55.927 61.959 44.081 1062 HA LYS 134 HA LYS 134 54.070 59.719 44.296 1063 1HB LYS 134 2HB LYS 134 52.453 61.054 42.972 1064 2HB LYS 134 1HB LYS 134 53.395 62.245 43.881 1065 1HG LYS 134 2HG LYS 134 54.978 62.297 41.749 1066 2HG LYS 134 1HG LYS 134 53.520 61.478 40.935 1067 1HD LYS 134 2HD LYS 134 53.243 63.873 40.656 1068 2HD LYS 134 1HD LYS 134 52.081 63.279 41.937 1069 1HE LYS 134 2HE LYS 134 53.008 64.671 43.443 1070 2HE LYS 134 1HE LYS 134 54.676 63.918 43.160 1071 1HZ LYS 134 2HZ LYS 134 53.633 66.064 41.385 1072 2HZ LYS 134 1HZ LYS 134 54.483 66.368 42.806 1073 3HZ LYS 134 3HZ LYS 134 55.157 65.525 41.563 No H/Q in entry = 1073 Start of MODEL 16 1 1H MET 1 3H MET 1 63.016 76.742 46.812 2 2H MET 1 2H MET 1 63.238 75.935 45.341 3 3H MET 1 1H MET 1 62.081 77.105 45.490 4 HA MET 1 HA MET 1 60.765 75.867 47.073 5 1HB MET 1 2HB MET 1 61.568 74.586 44.426 6 2HB MET 1 1HB MET 1 61.093 73.379 45.702 7 1HG MET 1 2HG MET 1 58.910 73.987 45.680 8 2HG MET 1 1HG MET 1 59.229 75.661 45.869 9 1HE MET 1 2HE MET 1 58.596 77.115 44.612 10 2HE MET 1 1HE MET 1 59.405 77.363 43.009 11 3HE MET 1 3HE MET 1 57.643 76.874 43.219 12 H THR 2 H THR 2 61.032 75.239 48.939 13 HA THR 2 HA THR 2 63.044 73.015 49.356 14 HB THR 2 HB THR 2 63.001 74.177 51.831 15 HG1 THR 2 1HG THR 2 63.146 76.556 51.122 16 1HG2 THR 2 3HG2 THR 2 64.864 73.984 49.738 17 2HG2 THR 2 2HG2 THR 2 64.533 75.745 49.595 18 3HG2 THR 2 1HG2 THR 2 65.267 75.061 51.084 19 H LYS 3 H LYS 3 60.456 74.934 50.951 20 HA LYS 3 HA LYS 3 59.357 72.282 51.969 21 1HB LYS 3 2HB LYS 3 58.125 73.716 53.612 22 2HB LYS 3 1HB LYS 3 59.876 74.109 53.655 23 1HG LYS 3 2HG LYS 3 58.385 75.733 51.636 24 2HG LYS 3 1HG LYS 3 57.721 75.849 53.303 25 1HD LYS 3 2HD LYS 3 60.794 75.869 52.835 26 2HD LYS 3 1HD LYS 3 59.881 77.374 52.480 27 1HE LYS 3 2HE LYS 3 59.117 76.131 55.093 28 2HE LYS 3 1HE LYS 3 60.938 76.490 54.892 29 1HZ LYS 3 2HZ LYS 3 60.255 78.745 54.097 30 2HZ LYS 3 1HZ LYS 3 58.717 78.451 54.494 31 3HZ LYS 3 3HZ LYS 3 59.832 78.521 55.716 32 H ASP 4 H ASP 4 56.982 72.072 52.178 33 HA ASP 4 HA ASP 4 54.968 71.813 51.179 34 1HB ASP 4 2HB ASP 4 54.766 74.419 51.062 35 2HB ASP 4 1HB ASP 4 55.608 74.310 49.450 36 H GLN 5 H GLN 5 55.887 69.837 50.254 37 HA GLN 5 HA GLN 5 56.676 70.195 47.375 38 1HB GLN 5 2HB GLN 5 58.071 69.183 49.696 39 2HB GLN 5 1HB GLN 5 57.539 67.658 48.784 40 1HG GLN 5 2HG GLN 5 59.734 68.437 48.000 41 2HG GLN 5 1HG GLN 5 58.395 68.756 46.708 42 1HE2 GLN 5 1HE2 GLN 5 59.356 71.950 46.273 43 2HE2 GLN 5 2HE2 GLN 5 59.053 70.336 45.610 44 H ASN 6 H ASN 6 54.276 70.340 48.061 45 HA ASN 6 HA ASN 6 52.450 68.294 48.426 46 1HB ASN 6 2HB ASN 6 52.045 70.769 47.278 47 2HB ASN 6 1HB ASN 6 51.991 69.762 45.746 48 1HD2 ASN 6 2HD2 ASN 6 48.917 69.473 48.387 49 2HD2 ASN 6 1HD2 ASN 6 50.422 70.561 48.709 50 H GLY 7 H GLY 7 51.608 66.647 47.620 51 1HA GLY 7 1HA GLY 7 51.405 65.656 45.048 52 2HA GLY 7 2HA GLY 7 53.094 65.231 45.545 53 H THR 8 H THR 8 52.288 63.193 45.100 54 HA THR 8 HA THR 8 51.353 61.748 47.477 55 HB THR 8 HB THR 8 49.649 62.040 45.181 56 HG1 THR 8 1HG THR 8 49.388 61.365 47.494 57 1HG2 THR 8 2HG2 THR 8 51.117 59.213 45.413 58 2HG2 THR 8 1HG2 THR 8 49.506 59.523 44.580 59 3HG2 THR 8 3HG2 THR 8 51.002 60.283 43.938 60 H TRP 9 H TRP 9 52.197 59.855 47.640 61 HA TRP 9 HA TRP 9 54.250 59.089 45.642 62 1HB TRP 9 2HB TRP 9 55.402 59.149 48.405 63 2HB TRP 9 1HB TRP 9 56.266 59.442 46.828 64 HD1 TRP 9 HD1 TRP 9 53.325 61.565 48.335 65 HE1 TRP 9 HE1 TRP 9 53.926 63.959 48.699 66 HE3 TRP 9 HE3 TRP 9 57.994 61.038 47.031 67 HZ2 TRP 9 HZ2 TRP 9 56.281 65.385 48.406 68 HZ3 TRP 9 HZ3 TRP 9 59.469 62.992 47.080 69 HH2 TRP 9 HH2 TRP 9 58.636 65.160 47.752 70 H GLU 10 H GLU 10 54.883 57.047 45.436 71 HA GLU 10 HA GLU 10 53.023 55.176 46.729 72 1HB GLU 10 2HB GLU 10 55.438 54.706 44.844 73 2HB GLU 10 1HB GLU 10 54.211 53.472 45.307 74 1HG GLU 10 2HG GLU 10 53.150 56.176 44.297 75 2HG GLU 10 1HG GLU 10 54.012 55.077 43.114 76 H MET 11 H MET 11 55.758 56.468 47.923 77 HA MET 11 HA MET 11 57.450 55.630 49.574 78 1HB MET 11 2HB MET 11 55.329 55.100 50.865 79 2HB MET 11 1HB MET 11 55.078 53.620 49.882 80 1HG MET 11 2HG MET 11 57.241 52.645 50.839 81 2HG MET 11 1HG MET 11 57.514 54.178 51.699 82 1HE MET 11 1HE MET 11 55.875 51.082 50.924 83 2HE MET 11 3HE MET 11 56.204 50.505 52.559 84 3HE MET 11 2HE MET 11 54.525 50.719 52.099 85 H GLU 12 H GLU 12 56.253 52.422 48.858 86 HA GLU 12 HA GLU 12 57.090 51.105 46.961 87 1HB GLU 12 2HB GLU 12 58.833 52.814 46.204 88 2HB GLU 12 1HB GLU 12 59.836 52.313 47.602 89 1HG GLU 12 2HG GLU 12 59.389 49.844 46.734 90 2HG GLU 12 1HG GLU 12 58.870 50.785 45.163 91 H SER 13 H SER 13 58.851 51.994 49.891 92 HA SER 13 HA SER 13 58.310 49.419 51.143 93 1HB SER 13 2HB SER 13 60.599 49.314 49.452 94 2HB SER 13 1HB SER 13 61.260 49.650 51.189 95 HG SER 13 HG SER 13 60.880 47.468 50.484 96 H ASN 14 H ASN 14 59.032 49.167 53.084 97 HA ASN 14 HA ASN 14 60.157 51.596 54.446 98 1HB ASN 14 2HB ASN 14 58.301 51.520 56.068 99 2HB ASN 14 1HB ASN 14 57.448 50.628 54.684 100 1HD2 ASN 14 2HD2 ASN 14 57.976 47.470 56.127 101 2HD2 ASN 14 1HD2 ASN 14 57.673 48.531 54.561 102 H GLU 15 H GLU 15 60.680 51.192 56.667 103 HA GLU 15 HA GLU 15 62.171 48.553 56.732 104 1HB GLU 15 2HB GLU 15 63.520 50.938 56.466 105 2HB GLU 15 1HB GLU 15 63.055 51.154 58.180 106 1HG GLU 15 2HG GLU 15 63.920 48.520 58.123 107 2HG GLU 15 1HG GLU 15 65.219 49.550 57.265 108 H ASN 16 H ASN 16 61.750 47.251 58.424 109 HA ASN 16 HA ASN 16 60.779 46.525 60.386 110 1HB ASN 16 2HB ASN 16 62.941 47.275 61.342 111 2HB ASN 16 1HB ASN 16 62.297 49.034 61.265 112 1HD2 ASN 16 2HD2 ASN 16 61.557 48.820 64.593 113 2HD2 ASN 16 1HD2 ASN 16 62.527 49.538 63.159 114 H PHE 17 H PHE 17 58.760 46.804 59.760 115 HA PHE 17 HA PHE 17 57.348 49.290 60.767 116 1HB PHE 17 2HB PHE 17 56.957 47.710 58.543 117 2HB PHE 17 1HB PHE 17 55.808 46.930 59.742 118 HD1 PHE 17 HD1 PHE 17 56.934 50.241 58.534 119 HD2 PHE 17 HD2 PHE 17 53.728 47.929 59.986 120 HE1 PHE 17 HE1 PHE 17 55.378 52.228 58.262 121 HE2 PHE 17 HE2 PHE 17 52.114 49.844 59.744 122 HZ PHE 17 HZ PHE 17 52.959 51.993 58.874 123 H GLU 18 H GLU 18 57.679 45.858 61.465 124 HA GLU 18 HA GLU 18 55.476 45.649 63.406 125 1HB GLU 18 2HB GLU 18 56.565 43.728 62.186 126 2HB GLU 18 1HB GLU 18 58.159 44.177 62.872 127 1HG GLU 18 2HG GLU 18 56.723 43.872 65.228 128 2HG GLU 18 1HG GLU 18 56.054 42.521 64.079 129 H GLY 19 H GLY 19 58.992 45.727 63.712 130 1HA GLY 19 1HA GLY 19 59.152 45.796 66.560 131 2HA GLY 19 2HA GLY 19 60.365 46.494 65.460 132 H TYR 20 H TYR 20 58.231 48.333 64.295 133 HA TYR 20 HA TYR 20 58.723 50.547 66.257 134 1HB TYR 20 2HB TYR 20 58.707 51.084 63.810 135 2HB TYR 20 1HB TYR 20 57.196 50.142 63.587 136 HD1 TYR 20 HD1 TYR 20 57.763 52.520 66.360 137 HD2 TYR 20 HD2 TYR 20 55.934 51.674 62.650 138 HE1 TYR 20 HE1 TYR 20 56.372 54.547 66.666 139 HE2 TYR 20 HE2 TYR 20 54.479 53.679 62.811 140 HH TYR 20 HH TYR 20 54.758 56.028 64.214 141 H MET 21 H MET 21 55.813 48.724 65.016 142 HA MET 21 HA MET 21 54.124 50.075 66.927 143 1HB MET 21 2HB MET 21 54.016 47.440 65.197 144 2HB MET 21 1HB MET 21 52.649 47.989 66.166 145 1HG MET 21 2HG MET 21 54.022 50.052 64.331 146 2HG MET 21 1HG MET 21 53.199 48.759 63.514 147 1HE MET 21 3HE MET 21 51.176 47.767 64.430 148 2HE MET 21 2HE MET 21 50.199 48.302 65.708 149 3HE MET 21 1HE MET 21 49.741 48.769 63.957 150 H LYS 22 H LYS 22 56.310 47.601 67.002 151 HA LYS 22 HA LYS 22 55.279 46.267 69.357 152 1HB LYS 22 2HB LYS 22 57.365 45.724 67.297 153 2HB LYS 22 1HB LYS 22 58.133 45.617 68.942 154 1HG LYS 22 2HG LYS 22 56.006 44.296 69.560 155 2HG LYS 22 1HG LYS 22 55.814 44.009 67.752 156 1HD LYS 22 2HD LYS 22 58.066 43.156 69.683 157 2HD LYS 22 1HD LYS 22 57.168 42.182 68.373 158 1HE LYS 22 2HE LYS 22 58.315 44.035 66.777 159 2HE LYS 22 1HE LYS 22 59.494 44.123 68.154 160 1HZ LYS 22 3HZ LYS 22 58.601 41.525 67.050 161 2HZ LYS 22 2HZ LYS 22 59.875 42.300 66.324 162 3HZ LYS 22 1HZ LYS 22 59.918 41.884 67.986 163 H ALA 23 H ALA 23 57.142 48.850 68.503 164 HA ALA 23 HA ALA 23 58.706 48.914 70.994 165 1HB ALA 23 2HB ALA 23 58.476 50.864 68.630 166 2HB ALA 23 1HB ALA 23 59.076 51.406 70.276 167 3HB ALA 23 3HB ALA 23 59.901 50.021 69.392 168 H LEU 24 H LEU 24 55.818 50.259 69.821 169 HA LEU 24 HA LEU 24 55.321 51.702 72.427 170 1HB LEU 24 2HB LEU 24 53.035 52.308 71.154 171 2HB LEU 24 1HB LEU 24 54.554 53.170 70.651 172 HG LEU 24 HG LEU 24 54.058 50.648 69.055 173 1HD1 LEU 24 1HD1 LEU 24 51.720 51.926 69.695 174 2HD1 LEU 24 3HD1 LEU 24 52.361 52.958 68.318 175 3HD1 LEU 24 2HD1 LEU 24 52.031 51.162 68.125 176 1HD2 LEU 24 1HD2 LEU 24 55.839 52.527 68.649 177 2HD2 LEU 24 3HD2 LEU 24 54.714 52.152 67.285 178 3HD2 LEU 24 2HD2 LEU 24 54.469 53.615 68.339 179 H ASP 25 H ASP 25 55.281 48.826 71.535 180 HA ASP 25 HA ASP 25 54.208 46.828 71.741 181 1HB ASP 25 2HB ASP 25 53.666 46.596 74.331 182 2HB ASP 25 1HB ASP 25 55.340 46.996 73.780 183 H ILE 26 H ILE 26 52.525 47.797 70.253 184 HA ILE 26 HA ILE 26 49.903 48.241 71.579 185 HB ILE 26 HB ILE 26 50.779 49.584 69.706 186 1HG1 ILE 26 2HG1 ILE 26 48.215 47.920 69.150 187 2HG1 ILE 26 1HG1 ILE 26 48.414 49.408 70.156 188 1HG2 ILE 26 1HG2 ILE 26 51.746 47.345 68.437 189 2HG2 ILE 26 3HG2 ILE 26 50.010 47.202 67.901 190 3HG2 ILE 26 2HG2 ILE 26 51.012 48.632 67.434 191 1HD1 ILE 26 2HD1 ILE 26 49.564 50.273 67.728 192 2HD1 ILE 26 1HD1 ILE 26 48.230 49.148 67.153 193 3HD1 ILE 26 3HD1 ILE 26 47.870 50.527 68.247 194 H ASP 27 H ASP 27 51.725 45.794 69.869 195 HA ASP 27 HA ASP 27 50.144 43.633 70.881 196 1HB ASP 27 2HB ASP 27 48.842 45.015 68.755 197 2HB ASP 27 1HB ASP 27 49.389 43.302 68.136 198 H PHE 28 H PHE 28 50.291 41.611 69.174 199 HA PHE 28 HA PHE 28 53.095 41.734 68.140 200 1HB PHE 28 2HB PHE 28 51.725 39.397 69.646 201 2HB PHE 28 1HB PHE 28 53.461 39.421 69.086 202 HD1 PHE 28 HD1 PHE 28 50.992 41.022 71.319 203 HD2 PHE 28 HD2 PHE 28 55.128 40.530 70.347 204 HE1 PHE 28 HE1 PHE 28 51.632 42.202 73.495 205 HE2 PHE 28 HE2 PHE 28 55.804 41.673 72.489 206 HZ PHE 28 HZ PHE 28 54.083 42.499 74.036 207 H ALA 29 H ALA 29 50.816 42.259 66.800 208 HA ALA 29 HA ALA 29 51.093 40.665 64.374 209 1HB ALA 29 2HB ALA 29 49.562 39.224 65.996 210 2HB ALA 29 1HB ALA 29 48.328 40.494 65.899 211 3HB ALA 29 3HB ALA 29 48.799 39.624 64.361 212 H THR 30 H THR 30 49.261 41.210 62.906 213 HA THR 30 HA THR 30 48.230 42.858 61.713 214 HB THR 30 HB THR 30 47.912 43.832 64.446 215 HG1 THR 30 1HG THR 30 46.422 42.944 63.133 216 1HG2 THR 30 3HG2 THR 30 47.866 45.890 62.055 217 2HG2 THR 30 2HG2 THR 30 47.274 46.155 63.775 218 3HG2 THR 30 1HG2 THR 30 49.045 45.961 63.463 219 H ARG 31 H ARG 31 50.601 44.434 63.789 220 HA ARG 31 HA ARG 31 51.723 46.479 62.419 221 1HB ARG 31 2HB ARG 31 53.596 46.223 63.789 222 2HB ARG 31 1HB ARG 31 52.281 45.416 64.731 223 1HG ARG 31 2HG ARG 31 54.246 43.796 62.944 224 2HG ARG 31 1HG ARG 31 54.548 44.196 64.678 225 1HD ARG 31 2HD ARG 31 52.367 43.082 65.266 226 2HD ARG 31 1HD ARG 31 52.025 42.775 63.496 227 HE ARG 31 HE ARG 31 53.456 40.961 63.617 228 1HH1 ARG 31 1HH1 ARG 31 55.105 42.153 67.207 229 2HH1 ARG 31 2HH1 ARG 31 53.960 43.222 66.368 230 1HH2 ARG 31 1HH2 ARG 31 55.054 39.554 64.893 231 2HH2 ARG 31 2HH2 ARG 31 55.676 40.227 66.430 232 H LYS 32 H LYS 32 52.014 43.041 61.282 233 HA LYS 32 HA LYS 32 54.481 43.706 59.874 234 1HB LYS 32 2HB LYS 32 54.014 41.498 60.813 235 2HB LYS 32 1HB LYS 32 52.419 41.450 59.979 236 1HG LYS 32 2HG LYS 32 54.068 39.990 58.768 237 2HG LYS 32 1HG LYS 32 53.626 41.345 57.699 238 1HD LYS 32 2HD LYS 32 55.586 42.743 58.561 239 2HD LYS 32 1HD LYS 32 56.113 41.226 59.412 240 1HE LYS 32 2HE LYS 32 55.782 39.971 57.152 241 2HE LYS 32 1HE LYS 32 55.882 41.633 56.400 242 1HZ LYS 32 2HZ LYS 32 57.887 40.906 58.349 243 2HZ LYS 32 1HZ LYS 32 58.116 40.385 56.807 244 3HZ LYS 32 3HZ LYS 32 57.901 42.014 57.089 245 H ILE 33 H ILE 33 50.970 43.431 59.414 246 HA ILE 33 HA ILE 33 51.452 44.111 56.512 247 HB ILE 33 HB ILE 33 48.650 43.264 57.460 248 1HG1 ILE 33 2HG1 ILE 33 49.487 40.831 57.170 249 2HG1 ILE 33 1HG1 ILE 33 51.082 41.521 57.800 250 1HG2 ILE 33 3HG2 ILE 33 50.599 42.413 55.128 251 2HG2 ILE 33 2HG2 ILE 33 48.892 41.845 55.374 252 3HG2 ILE 33 1HG2 ILE 33 49.236 43.585 55.030 253 1HD1 ILE 33 3HD1 ILE 33 48.881 42.590 59.356 254 2HD1 ILE 33 2HD1 ILE 33 48.518 40.806 59.140 255 3HD1 ILE 33 1HD1 ILE 33 50.049 41.379 59.949 256 H ALA 34 H ALA 34 51.408 46.254 58.526 257 HA ALA 34 HA ALA 34 48.788 47.542 57.521 258 1HB ALA 34 1HB ALA 34 48.910 47.374 60.084 259 2HB ALA 34 3HB ALA 34 50.440 48.387 59.986 260 3HB ALA 34 2HB ALA 34 48.874 49.075 59.457 261 H VAL 35 H VAL 35 51.475 47.076 56.485 262 HA VAL 35 HA VAL 35 52.815 49.661 56.369 263 HB VAL 35 HB VAL 35 52.748 48.070 53.847 264 1HG1 VAL 35 2HG1 VAL 35 54.986 49.058 55.810 265 2HG1 VAL 35 1HG1 VAL 35 55.365 48.235 54.251 266 3HG1 VAL 35 3HG1 VAL 35 54.555 49.853 54.274 267 1HG2 VAL 35 1HG2 VAL 35 53.755 46.805 56.423 268 2HG2 VAL 35 3HG2 VAL 35 52.632 46.116 55.151 269 3HG2 VAL 35 2HG2 VAL 35 54.421 46.398 54.800 270 H ARG 36 H ARG 36 52.898 50.728 54.020 271 HA ARG 36 HA ARG 36 50.438 52.113 53.685 272 1HB ARG 36 2HB ARG 36 52.806 51.704 51.866 273 2HB ARG 36 1HB ARG 36 51.190 52.092 51.090 274 1HG ARG 36 2HG ARG 36 52.699 54.043 51.789 275 2HG ARG 36 1HG ARG 36 50.961 54.136 52.358 276 1HD ARG 36 2HD ARG 36 51.463 53.584 54.527 277 2HD ARG 36 1HD ARG 36 52.922 52.675 54.142 278 HE ARG 36 HE ARG 36 53.545 55.354 53.424 279 1HH1 ARG 36 1HH2 ARG 36 52.231 53.775 56.410 280 2HH1 ARG 36 2HH2 ARG 36 52.878 55.019 57.461 281 1HH2 ARG 36 1HH1 ARG 36 54.342 56.909 54.816 282 2HH2 ARG 36 2HH1 ARG 36 54.093 56.823 56.553 283 H LEU 37 H LEU 37 51.578 49.134 52.547 284 HA LEU 37 HA LEU 37 50.858 47.650 51.037 285 1HB LEU 37 2HB LEU 37 49.179 46.250 52.187 286 2HB LEU 37 1HB LEU 37 50.331 47.078 53.365 287 HG LEU 37 HG LEU 37 48.507 48.960 53.507 288 1HD1 LEU 37 1HD1 LEU 37 47.117 46.948 51.876 289 2HD1 LEU 37 3HD1 LEU 37 46.337 46.967 53.504 290 3HD1 LEU 37 2HD1 LEU 37 46.507 48.519 52.576 291 1HD2 LEU 37 2HD2 LEU 37 49.340 46.663 54.976 292 2HD2 LEU 37 1HD2 LEU 37 48.315 48.027 55.611 293 3HD2 LEU 37 3HD2 LEU 37 47.519 46.559 54.928 294 H THR 38 H THR 38 50.419 47.878 49.180 295 HA THR 38 HA THR 38 49.416 48.121 47.193 296 HB THR 38 HB THR 38 46.937 47.773 48.973 297 HG1 THR 38 1HG THR 38 48.539 45.799 47.774 298 1HG2 THR 38 1HG2 THR 38 47.504 47.473 45.998 299 2HG2 THR 38 3HG2 THR 38 46.896 45.954 46.756 300 3HG2 THR 38 2HG2 THR 38 45.865 47.460 46.783 301 H GLN 39 H GLN 39 49.929 50.893 48.287 302 HA GLN 39 HA GLN 39 47.918 51.990 46.547 303 1HB GLN 39 2HB GLN 39 46.393 51.821 48.403 304 2HB GLN 39 1HB GLN 39 47.717 52.396 49.542 305 1HG GLN 39 2HG GLN 39 46.886 54.482 49.322 306 2HG GLN 39 1HG GLN 39 47.379 54.481 47.570 307 1HE2 GLN 39 2HE2 GLN 39 44.460 53.854 45.997 308 2HE2 GLN 39 1HE2 GLN 39 46.207 53.938 45.984 309 H THR 40 H THR 40 48.992 53.930 49.234 310 HA THR 40 HA THR 40 51.319 55.156 48.130 311 HB THR 40 HB THR 40 48.564 56.065 47.198 312 HG1 THR 40 1HG THR 40 50.323 55.063 45.881 313 1HG2 THR 40 2HG2 THR 40 49.425 58.134 48.422 314 2HG2 THR 40 1HG2 THR 40 50.977 58.029 47.480 315 3HG2 THR 40 3HG2 THR 40 49.459 58.342 46.626 316 H LYS 41 H LYS 41 51.843 57.073 49.124 317 HA LYS 41 HA LYS 41 50.121 57.663 51.622 318 1HB LYS 41 2HB LYS 41 52.294 57.259 52.648 319 2HB LYS 41 1HB LYS 41 53.127 57.462 51.050 320 1HG LYS 41 2HG LYS 41 51.998 59.903 52.612 321 2HG LYS 41 1HG LYS 41 53.573 59.068 53.024 322 1HD LYS 41 2HD LYS 41 53.832 59.285 50.334 323 2HD LYS 41 1HD LYS 41 52.656 60.632 50.453 324 1HE LYS 41 2HE LYS 41 55.519 60.608 51.389 325 2HE LYS 41 1HE LYS 41 54.340 61.968 50.885 326 1HZ LYS 41 3HZ LYS 41 53.299 61.457 53.157 327 2HZ LYS 41 2HZ LYS 41 54.663 60.596 53.508 328 3HZ LYS 41 1HZ LYS 41 54.745 62.234 53.215 329 H ILE 42 H ILE 42 49.915 60.041 52.108 330 HA ILE 42 HA ILE 42 50.632 61.654 49.604 331 HB ILE 42 HB ILE 42 47.939 62.107 51.073 332 1HG1 ILE 42 2HG1 ILE 42 47.678 61.166 48.392 333 2HG1 ILE 42 1HG1 ILE 42 48.727 59.956 49.213 334 1HG2 ILE 42 2HG2 ILE 42 49.238 63.246 48.565 335 2HG2 ILE 42 1HG2 ILE 42 47.460 63.083 48.733 336 3HG2 ILE 42 3HG2 ILE 42 48.346 64.060 49.930 337 1HD1 ILE 42 2HD1 ILE 42 46.384 60.848 50.920 338 2HD1 ILE 42 1HD1 ILE 42 45.914 59.927 49.482 339 3HD1 ILE 42 3HD1 ILE 42 47.084 59.212 50.688 340 H ILE 43 H ILE 43 50.694 63.844 49.753 341 HA ILE 43 HA ILE 43 51.066 64.921 52.605 342 HB ILE 43 HB ILE 43 53.053 64.128 51.115 343 1HG1 ILE 43 2HG1 ILE 43 52.814 66.899 52.519 344 2HG1 ILE 43 1HG1 ILE 43 53.171 65.302 53.300 345 1HG2 ILE 43 1HG2 ILE 43 52.317 65.615 49.130 346 2HG2 ILE 43 3HG2 ILE 43 52.789 67.071 50.117 347 3HG2 ILE 43 2HG2 ILE 43 54.052 65.827 49.671 348 1HD1 ILE 43 2HD1 ILE 43 55.226 65.519 51.306 349 2HD1 ILE 43 1HD1 ILE 43 54.938 67.256 51.888 350 3HD1 ILE 43 3HD1 ILE 43 55.422 65.955 53.011 351 H VAL 44 H VAL 44 50.150 66.762 52.942 352 HA VAL 44 HA VAL 44 48.850 68.028 50.466 353 HB VAL 44 HB VAL 44 48.141 67.743 53.379 354 1HG1 VAL 44 1HG1 VAL 44 47.535 70.204 51.661 355 2HG1 VAL 44 3HG1 VAL 44 46.258 69.545 52.808 356 3HG1 VAL 44 2HG1 VAL 44 47.834 70.039 53.459 357 1HG2 VAL 44 3HG2 VAL 44 47.147 66.373 51.353 358 2HG2 VAL 44 2HG2 VAL 44 45.953 67.211 52.460 359 3HG2 VAL 44 1HG2 VAL 44 46.315 67.876 50.805 360 H GLN 45 H GLN 45 49.842 69.268 53.742 361 HA GLN 45 HA GLN 45 50.767 71.209 54.343 362 1HB GLN 45 2HB GLN 45 52.493 70.192 52.527 363 2HB GLN 45 1HB GLN 45 52.036 71.718 51.587 364 1HG GLN 45 2HG GLN 45 52.631 71.991 54.590 365 2HG GLN 45 1HG GLN 45 54.026 71.734 53.333 366 1HE2 GLN 45 2HE2 GLN 45 53.625 75.283 53.388 367 2HE2 GLN 45 1HE2 GLN 45 54.361 73.862 54.370 368 H ASP 46 H ASP 46 50.507 73.159 54.547 369 HA ASP 46 HA ASP 46 49.229 74.747 52.442 370 1HB ASP 46 2HB ASP 46 47.394 73.234 53.072 371 2HB ASP 46 1HB ASP 46 47.537 73.813 54.835 372 H GLY 47 H GLY 47 51.169 75.924 53.312 373 1HA GLY 47 1HA GLY 47 51.759 78.028 54.186 374 2HA GLY 47 2HA GLY 47 50.293 78.031 55.302 375 H ASP 48 H ASP 48 50.211 76.943 56.982 376 HA ASP 48 HA ASP 48 52.913 76.284 58.225 377 1HB ASP 48 2HB ASP 48 51.545 78.253 59.190 378 2HB ASP 48 1HB ASP 48 50.369 76.925 59.888 379 H ASN 49 H ASN 49 49.596 75.437 58.105 380 HA ASN 49 HA ASN 49 49.653 72.953 59.619 381 1HB ASN 49 2HB ASN 49 47.678 74.299 57.729 382 2HB ASN 49 1HB ASN 49 47.688 72.432 57.731 383 1HD2 ASN 49 1HD2 ASN 49 46.753 72.422 61.193 384 2HD2 ASN 49 2HD2 ASN 49 48.068 71.710 60.051 385 H PHE 50 H PHE 50 51.367 71.753 59.100 386 HA PHE 50 HA PHE 50 51.696 70.840 56.291 387 1HB PHE 50 2HB PHE 50 53.824 71.504 57.263 388 2HB PHE 50 1HB PHE 50 53.556 70.533 58.738 389 HD1 PHE 50 HD2 PHE 50 53.163 70.190 55.061 390 HD2 PHE 50 HD1 PHE 50 54.561 68.447 58.741 391 HE1 PHE 50 HE2 PHE 50 53.937 68.200 53.741 392 HE2 PHE 50 HE1 PHE 50 55.358 66.427 57.451 393 HZ PHE 50 HZ PHE 50 55.029 66.359 55.038 394 H LYS 51 H LYS 51 50.158 69.352 55.880 395 HA LYS 51 HA LYS 51 50.120 67.134 57.868 396 1HB LYS 51 2HB LYS 51 48.202 67.733 55.557 397 2HB LYS 51 1HB LYS 51 47.948 66.465 56.863 398 1HG LYS 51 2HG LYS 51 47.582 68.181 58.552 399 2HG LYS 51 1HG LYS 51 48.203 69.493 57.508 400 1HD LYS 51 2HD LYS 51 46.407 68.777 55.839 401 2HD LYS 51 1HD LYS 51 45.668 67.751 57.188 402 1HE LYS 51 2HE LYS 51 45.895 69.919 58.569 403 2HE LYS 51 1HE LYS 51 45.859 70.779 56.926 404 1HZ LYS 51 1HZ LYS 51 43.820 68.799 57.256 405 2HZ LYS 51 3HZ LYS 51 43.681 69.977 58.411 406 3HZ LYS 51 2HZ LYS 51 43.640 70.377 56.770 407 H THR 52 H THR 52 49.599 65.129 57.124 408 HA THR 52 HA THR 52 50.669 64.290 54.454 409 HB THR 52 HB THR 52 52.160 64.038 57.073 410 HG1 THR 52 1HG THR 52 53.546 64.493 55.766 411 1HG2 THR 52 2HG2 THR 52 51.720 61.572 55.135 412 2HG2 THR 52 1HG2 THR 52 53.196 61.757 56.140 413 3HG2 THR 52 3HG2 THR 52 51.577 61.574 56.940 414 H LYS 53 H LYS 53 48.982 63.105 53.748 415 HA LYS 53 HA LYS 53 47.806 61.142 55.815 416 1HB LYS 53 2HB LYS 53 45.603 61.944 55.314 417 2HB LYS 53 1HB LYS 53 46.514 63.405 54.785 418 1HG LYS 53 2HG LYS 53 46.568 61.897 52.485 419 2HG LYS 53 1HG LYS 53 45.054 61.272 53.302 420 1HD LYS 53 2HD LYS 53 44.200 63.529 53.468 421 2HD LYS 53 1HD LYS 53 45.784 64.180 52.774 422 1HE LYS 53 2HE LYS 53 45.240 63.513 50.542 423 2HE LYS 53 1HE LYS 53 44.425 62.012 51.129 424 1HZ LYS 53 3HZ LYS 53 42.714 63.602 52.081 425 2HZ LYS 53 2HZ LYS 53 43.295 64.773 51.051 426 3HZ LYS 53 1HZ LYS 53 42.756 63.337 50.394 427 H THR 54 H THR 54 47.022 59.239 55.124 428 HA THR 54 HA THR 54 48.315 58.364 52.589 429 HB THR 54 HB THR 54 48.882 57.395 54.861 430 HG1 THR 54 1HG THR 54 48.747 56.387 52.466 431 1HG2 THR 54 2HG2 THR 54 46.279 57.007 55.248 432 2HG2 THR 54 1HG2 THR 54 46.500 55.574 54.137 433 3HG2 THR 54 3HG2 THR 54 47.327 55.623 55.759 434 H ASN 55 H ASN 55 47.225 56.723 51.288 435 HA ASN 55 HA ASN 55 44.244 57.217 51.400 436 1HB ASN 55 2HB ASN 55 45.761 57.973 49.411 437 2HB ASN 55 1HB ASN 55 45.549 56.183 48.921 438 1HD2 ASN 55 1HD2 ASN 55 42.377 58.902 49.053 439 2HD2 ASN 55 2HD2 ASN 55 44.059 59.165 49.869 440 H SER 56 H SER 56 46.572 54.968 51.597 441 HA SER 56 HA SER 56 46.293 52.483 50.871 442 1HB SER 56 2HB SER 56 47.007 51.663 52.927 443 2HB SER 56 1HB SER 56 47.486 53.449 53.068 444 HG SER 56 HG SER 56 46.045 53.690 54.536 445 H THR 57 H THR 57 45.528 50.717 51.207 446 HA THR 57 HA THR 57 42.613 50.456 51.211 447 HB THR 57 HB THR 57 44.993 48.747 50.571 448 HG1 THR 57 1HG THR 57 43.843 49.466 48.876 449 1HG2 THR 57 2HG2 THR 57 42.283 47.486 51.496 450 2HG2 THR 57 1HG2 THR 57 43.632 46.682 50.633 451 3HG2 THR 57 3HG2 THR 57 43.856 47.306 52.311 452 H PHE 58 H PHE 58 45.367 49.882 53.286 453 HA PHE 58 HA PHE 58 43.853 48.152 55.054 454 1HB PHE 58 2HB PHE 58 45.480 48.185 56.798 455 2HB PHE 58 1HB PHE 58 46.144 47.896 55.144 456 HD1 PHE 58 HD1 PHE 58 47.066 50.174 54.053 457 HD2 PHE 58 HD2 PHE 58 46.559 49.526 58.283 458 HE1 PHE 58 HE1 PHE 58 48.737 51.966 54.512 459 HE2 PHE 58 HE2 PHE 58 48.206 51.263 58.754 460 HZ PHE 58 HZ PHE 58 49.283 52.447 56.932 461 H ARG 59 H ARG 59 44.914 51.472 55.369 462 HA ARG 59 HA ARG 59 42.390 52.448 56.486 463 1HB ARG 59 2HB ARG 59 42.743 52.736 58.813 464 2HB ARG 59 1HB ARG 59 43.426 51.074 58.506 465 1HG ARG 59 2HG ARG 59 45.722 52.034 58.491 466 2HG ARG 59 1HG ARG 59 44.989 53.723 58.640 467 1HD ARG 59 2HD ARG 59 44.555 51.578 60.783 468 2HD ARG 59 1HD ARG 59 45.774 52.907 60.848 469 HE ARG 59 HE ARG 59 43.634 54.321 60.244 470 1HH1 ARG 59 1HH1 ARG 59 44.085 51.534 62.669 471 2HH1 ARG 59 2HH1 ARG 59 42.883 52.198 63.693 472 1HH2 ARG 59 1HH2 ARG 59 41.972 55.007 61.930 473 2HH2 ARG 59 2HH2 ARG 59 41.755 54.022 63.350 474 H ASN 60 H ASN 60 42.139 54.335 56.244 475 HA ASN 60 HA ASN 60 44.573 55.888 55.356 476 1HB ASN 60 2HB ASN 60 41.876 57.242 55.182 477 2HB ASN 60 1HB ASN 60 43.170 56.969 53.906 478 1HD2 ASN 60 2HD2 ASN 60 41.269 54.473 52.421 479 2HD2 ASN 60 1HD2 ASN 60 42.506 55.723 52.315 480 H TYR 61 H TYR 61 45.522 56.260 57.110 481 HA TYR 61 HA TYR 61 44.139 58.137 59.029 482 1HB TYR 61 2HB TYR 61 45.410 55.962 59.893 483 2HB TYR 61 1HB TYR 61 46.944 56.943 59.558 484 HD1 TYR 61 HD1 TYR 61 43.661 56.817 61.233 485 HD2 TYR 61 HD2 TYR 61 47.513 58.699 61.118 486 HE1 TYR 61 HE1 TYR 61 43.105 57.883 63.316 487 HE2 TYR 61 HE2 TYR 61 46.984 59.847 63.302 488 HH TYR 61 HH TYR 61 44.156 60.327 64.401 489 H ASP 62 H ASP 62 44.888 60.047 59.461 490 HA ASP 62 HA ASP 62 47.037 61.080 57.611 491 1HB ASP 62 2HB ASP 62 45.506 63.196 58.991 492 2HB ASP 62 1HB ASP 62 45.624 62.759 57.147 493 H LEU 63 H LEU 63 48.199 62.859 58.083 494 HA LEU 63 HA LEU 63 49.302 62.867 60.884 495 1HB LEU 63 2HB LEU 63 50.749 62.135 58.690 496 2HB LEU 63 1HB LEU 63 50.697 63.912 58.362 497 HG LEU 63 HG LEU 63 51.562 64.165 60.841 498 1HD1 LEU 63 1HD1 LEU 63 51.491 61.102 60.514 499 2HD1 LEU 63 3HD1 LEU 63 52.797 61.854 61.490 500 3HD1 LEU 63 2HD1 LEU 63 51.051 62.228 61.877 501 1HD2 LEU 63 1HD2 LEU 63 52.996 62.909 58.424 502 2HD2 LEU 63 3HD2 LEU 63 53.312 64.476 59.327 503 3HD2 LEU 63 2HD2 LEU 63 53.872 62.880 60.013 504 H ASP 64 H ASP 64 47.265 64.272 61.033 505 HA ASP 64 HA ASP 64 47.574 66.953 59.980 506 1HB ASP 64 2HB ASP 64 45.720 67.375 61.791 507 2HB ASP 64 1HB ASP 64 45.266 66.074 60.540 508 H PHE 65 H PHE 65 49.425 67.782 60.338 509 HA PHE 65 HA PHE 65 50.032 68.410 63.225 510 1HB PHE 65 2HB PHE 65 51.578 67.125 61.001 511 2HB PHE 65 1HB PHE 65 52.373 68.599 61.640 512 HD1 PHE 65 HD1 PHE 65 51.461 68.384 64.602 513 HD2 PHE 65 HD2 PHE 65 52.751 65.435 61.717 514 HE1 PHE 65 HE1 PHE 65 52.140 66.995 66.443 515 HE2 PHE 65 HE2 PHE 65 53.446 64.008 63.563 516 HZ PHE 65 HZ PHE 65 53.186 64.702 65.920 517 H THR 66 H THR 66 51.474 70.230 63.317 518 HA THR 66 HA THR 66 51.269 72.290 61.107 519 HB THR 66 HB THR 66 49.599 72.061 63.533 520 HG1 THR 66 1HG THR 66 49.704 74.016 61.493 521 1HG2 THR 66 1HG2 THR 66 51.548 74.006 64.182 522 2HG2 THR 66 3HG2 THR 66 50.480 74.932 62.993 523 3HG2 THR 66 2HG2 THR 66 49.771 74.224 64.455 524 H VAL 67 H VAL 67 52.507 74.294 61.871 525 HA VAL 67 HA VAL 67 55.041 73.107 62.993 526 HB VAL 67 HB VAL 67 54.485 76.006 62.161 527 1HG1 VAL 67 2HG1 VAL 67 56.893 74.257 62.888 528 2HG1 VAL 67 1HG1 VAL 67 57.114 75.640 61.723 529 3HG1 VAL 67 3HG1 VAL 67 56.466 75.980 63.385 530 1HG2 VAL 67 3HG2 VAL 67 54.089 74.153 60.424 531 2HG2 VAL 67 2HG2 VAL 67 55.241 75.490 59.919 532 3HG2 VAL 67 1HG2 VAL 67 55.880 73.850 60.464 533 H GLY 68 H GLY 68 56.130 73.548 64.609 534 1HA GLY 68 1HA GLY 68 56.357 73.935 66.918 535 2HA GLY 68 2HA GLY 68 56.109 75.678 66.396 536 H VAL 69 H VAL 69 53.525 73.192 66.313 537 HA VAL 69 HA VAL 69 51.963 75.065 68.053 538 HB VAL 69 HB VAL 69 51.163 73.529 66.058 539 1HG1 VAL 69 1HG1 VAL 69 51.704 71.316 68.101 540 2HG1 VAL 69 3HG1 VAL 69 50.633 71.210 66.629 541 3HG1 VAL 69 2HG1 VAL 69 52.428 71.575 66.490 542 1HG2 VAL 69 2HG2 VAL 69 49.609 74.553 67.981 543 2HG2 VAL 69 1HG2 VAL 69 48.958 73.133 67.117 544 3HG2 VAL 69 3HG2 VAL 69 49.703 72.916 68.765 545 H GLU 70 H GLU 70 54.180 72.520 68.293 546 HA GLU 70 HA GLU 70 54.732 71.170 70.165 547 1HB GLU 70 2HB GLU 70 55.090 73.460 71.287 548 2HB GLU 70 1HB GLU 70 53.360 73.303 71.893 549 1HG GLU 70 2HG GLU 70 53.820 71.189 72.979 550 2HG GLU 70 1HG GLU 70 55.671 71.555 72.676 551 H PHE 71 H PHE 71 53.480 69.796 69.260 552 HA PHE 71 HA PHE 71 50.698 69.392 70.082 553 1HB PHE 71 2HB PHE 71 52.398 68.028 68.346 554 2HB PHE 71 1HB PHE 71 52.013 66.764 69.609 555 HD1 PHE 71 HD2 PHE 71 50.721 69.330 67.293 556 HD2 PHE 71 HD1 PHE 71 49.770 65.791 69.474 557 HE1 PHE 71 HE2 PHE 71 48.521 69.164 66.049 558 HE2 PHE 71 HE1 PHE 71 47.598 65.605 68.260 559 HZ PHE 71 HZ PHE 71 47.008 67.276 66.587 560 H ASP 72 H ASP 72 50.797 69.972 72.205 561 HA ASP 72 HA ASP 72 52.219 68.622 74.275 562 1HB ASP 72 2HB ASP 72 51.000 70.840 74.304 563 2HB ASP 72 1HB ASP 72 49.402 69.927 74.382 564 H GLU 73 H GLU 73 52.041 66.422 73.588 565 HA GLU 73 HA GLU 73 51.270 64.168 74.115 566 1HB GLU 73 2HB GLU 73 49.339 65.602 75.902 567 2HB GLU 73 1HB GLU 73 50.176 63.996 76.134 568 1HG GLU 73 2HG GLU 73 52.381 65.086 76.330 569 2HG GLU 73 1HG GLU 73 51.568 66.769 76.263 570 H HIS 74 H HIS 74 50.445 63.443 72.504 571 HA HIS 74 HA HIS 74 47.758 62.722 72.496 572 1HB HIS 74 2HB HIS 74 48.316 65.422 71.265 573 2HB HIS 74 1HB HIS 74 47.535 64.315 70.073 574 HD1 HIS 74 HD1 HIS 74 46.490 64.067 73.826 575 HD2 HIS 74 HD2 HIS 74 45.295 65.636 70.120 576 HE1 HIS 74 HE1 HIS 74 44.034 64.809 74.061 577 HE2 HIS 74 HE2 HIS 74 43.337 65.759 71.804 578 H THR 75 H THR 75 49.221 61.128 72.318 579 HA THR 75 HA THR 75 50.204 60.500 69.551 580 HB THR 75 HB THR 75 51.265 58.538 70.694 581 HG1 THR 75 1HG THR 75 50.263 59.625 73.042 582 1HG2 THR 75 3HG2 THR 75 51.555 61.503 71.511 583 2HG2 THR 75 2HG2 THR 75 52.226 60.381 72.732 584 3HG2 THR 75 1HG2 THR 75 52.860 60.283 71.060 585 H LYS 76 H LYS 76 47.888 59.445 71.901 586 HA LYS 76 HA LYS 76 47.246 56.849 71.378 587 1HB LYS 76 2HB LYS 76 44.927 57.375 72.012 588 2HB LYS 76 1HB LYS 76 46.086 58.423 72.955 589 1HG LYS 76 2HG LYS 76 45.763 60.028 70.769 590 2HG LYS 76 1HG LYS 76 44.120 59.245 70.812 591 1HD LYS 76 2HD LYS 76 43.873 59.953 73.192 592 2HD LYS 76 1HD LYS 76 45.574 60.617 73.176 593 1HE LYS 76 2HE LYS 76 44.603 62.600 72.464 594 2HE LYS 76 1HE LYS 76 44.350 61.735 70.887 595 1HZ LYS 76 1HZ LYS 76 42.320 60.810 71.914 596 2HZ LYS 76 3HZ LYS 76 42.324 61.983 73.057 597 3HZ LYS 76 2HZ LYS 76 42.210 62.435 71.458 598 H GLY 77 H GLY 77 45.875 55.757 70.382 599 1HA GLY 77 1HA GLY 77 44.342 55.232 68.448 600 2HA GLY 77 2HA GLY 77 45.096 56.588 67.526 601 H LEU 78 H LEU 78 47.216 54.839 69.417 602 HA LEU 78 HA LEU 78 47.991 52.765 67.500 603 1HB LEU 78 2HB LEU 78 48.998 55.201 66.834 604 2HB LEU 78 1HB LEU 78 50.203 54.806 68.121 605 HG LEU 78 HG LEU 78 50.613 52.619 67.048 606 1HD1 LEU 78 3HD1 LEU 78 48.382 53.481 65.343 607 2HD1 LEU 78 2HD1 LEU 78 49.807 53.013 64.375 608 3HD1 LEU 78 1HD1 LEU 78 49.084 51.840 65.592 609 1HD2 LEU 78 2HD2 LEU 78 51.798 55.116 66.490 610 2HD2 LEU 78 1HD2 LEU 78 52.231 53.589 65.554 611 3HD2 LEU 78 3HD2 LEU 78 51.079 54.773 64.870 612 H ASP 79 H ASP 79 49.051 54.998 70.051 613 HA ASP 79 HA ASP 79 50.291 52.681 71.509 614 1HB ASP 79 2HB ASP 79 51.168 54.969 72.690 615 2HB ASP 79 1HB ASP 79 52.170 54.082 71.354 616 H GLY 80 H GLY 80 49.216 55.958 72.207 617 1HA GLY 80 1HA GLY 80 47.607 56.829 73.569 618 2HA GLY 80 2HA GLY 80 47.224 55.186 74.273 619 H ARG 81 H ARG 81 49.519 57.690 73.792 620 HA ARG 81 HA ARG 81 50.618 57.424 76.561 621 1HB ARG 81 2HB ARG 81 52.017 57.138 74.183 622 2HB ARG 81 1HB ARG 81 52.064 58.962 74.324 623 1HG ARG 81 2HG ARG 81 53.967 57.300 75.352 624 2HG ARG 81 1HG ARG 81 53.587 58.866 76.132 625 1HD ARG 81 2HD ARG 81 52.165 56.228 76.887 626 2HD ARG 81 1HD ARG 81 53.800 56.686 77.599 627 HE ARG 81 HE ARG 81 51.751 58.760 77.891 628 1HH1 ARG 81 2HH1 ARG 81 53.288 55.786 79.205 629 2HH1 ARG 81 1HH1 ARG 81 52.828 56.162 80.857 630 1HH2 ARG 81 2HH2 ARG 81 51.153 59.191 80.074 631 2HH2 ARG 81 1HH2 ARG 81 51.587 58.133 81.386 632 H ASN 82 H ASN 82 52.069 59.980 76.246 633 HA ASN 82 HA ASN 82 50.343 62.047 75.505 634 1HB ASN 82 2HB ASN 82 49.482 60.859 78.046 635 2HB ASN 82 1HB ASN 82 50.264 62.493 78.432 636 1HD2 ASN 82 1HD2 ASN 82 47.108 62.394 75.749 637 2HD2 ASN 82 2HD2 ASN 82 48.368 61.193 75.792 638 H VAL 83 H VAL 83 52.132 62.510 74.655 639 HA VAL 83 HA VAL 83 54.190 63.950 76.402 640 HB VAL 83 HB VAL 83 55.033 62.527 73.910 641 1HG1 VAL 83 1HG1 VAL 83 56.431 63.236 76.542 642 2HG1 VAL 83 3HG1 VAL 83 57.159 62.212 75.239 643 3HG1 VAL 83 2HG1 VAL 83 56.649 63.944 74.923 644 1HG2 VAL 83 2HG2 VAL 83 54.101 61.134 76.475 645 2HG2 VAL 83 1HG2 VAL 83 54.282 60.493 74.794 646 3HG2 VAL 83 3HG2 VAL 83 55.783 60.661 75.846 647 H LYS 84 H LYS 84 55.460 65.419 75.649 648 HA LYS 84 HA LYS 84 54.252 67.237 73.709 649 1HB LYS 84 2HB LYS 84 57.050 67.069 74.978 650 2HB LYS 84 1HB LYS 84 56.844 67.986 73.446 651 1HG LYS 84 2HG LYS 84 56.549 69.274 75.662 652 2HG LYS 84 1HG LYS 84 55.293 69.465 74.317 653 1HD LYS 84 2HD LYS 84 54.190 69.231 76.568 654 2HD LYS 84 1HD LYS 84 53.733 67.893 75.473 655 1HE LYS 84 2HE LYS 84 54.456 66.399 77.056 656 2HE LYS 84 1HE LYS 84 56.143 66.923 76.713 657 1HZ LYS 84 1HZ LYS 84 54.334 68.339 78.703 658 2HZ LYS 84 3HZ LYS 84 55.530 67.243 79.069 659 3HZ LYS 84 2HZ LYS 84 55.920 68.701 78.336 660 H THR 85 H THR 85 54.649 67.725 71.699 661 HA THR 85 HA THR 85 56.349 65.849 70.043 662 HB THR 85 HB THR 85 53.407 65.727 70.543 663 HG1 THR 85 1HG THR 85 53.918 63.890 70.912 664 1HG2 THR 85 1HG2 THR 85 54.998 65.295 67.862 665 2HG2 THR 85 3HG2 THR 85 53.629 64.129 68.208 666 3HG2 THR 85 2HG2 THR 85 53.343 65.940 68.012 667 H LEU 86 H LEU 86 57.238 67.912 70.237 668 HA LEU 86 HA LEU 86 56.053 70.108 68.730 669 1HB LEU 86 2HB LEU 86 57.949 70.135 70.525 670 2HB LEU 86 1HB LEU 86 59.043 69.648 69.101 671 HG LEU 86 HG LEU 86 57.807 71.780 67.919 672 1HD1 LEU 86 2HD1 LEU 86 56.733 71.881 70.391 673 2HD1 LEU 86 1HD1 LEU 86 58.254 72.713 70.804 674 3HD1 LEU 86 3HD1 LEU 86 57.112 73.385 69.491 675 1HD2 LEU 86 3HD2 LEU 86 60.286 71.690 69.819 676 2HD2 LEU 86 2HD2 LEU 86 60.229 71.595 68.032 677 3HD2 LEU 86 1HD2 LEU 86 59.861 73.183 68.909 678 H VAL 87 H VAL 87 56.310 70.886 66.928 679 HA VAL 87 HA VAL 87 57.669 69.397 64.737 680 HB VAL 87 HB VAL 87 55.268 71.314 64.440 681 1HG1 VAL 87 1HG1 VAL 87 56.262 68.834 62.840 682 2HG1 VAL 87 3HG1 VAL 87 54.712 69.784 62.537 683 3HG1 VAL 87 2HG1 VAL 87 56.362 70.547 62.426 684 1HG2 VAL 87 1HG2 VAL 87 54.673 69.541 66.245 685 2HG2 VAL 87 3HG2 VAL 87 53.690 69.375 64.751 686 3HG2 VAL 87 2HG2 VAL 87 55.099 68.255 65.057 687 H THR 88 H THR 88 58.869 70.613 63.258 688 HA THR 88 HA THR 88 58.894 73.474 63.518 689 HB THR 88 HB THR 88 61.026 71.528 64.568 690 HG1 THR 88 1HG THR 88 60.309 73.896 65.757 691 1HG2 THR 88 1HG2 THR 88 61.282 74.528 63.829 692 2HG2 THR 88 3HG2 THR 88 62.422 73.693 64.983 693 3HG2 THR 88 2HG2 THR 88 62.350 73.255 63.195 694 H TRP 89 H TRP 89 60.413 74.362 62.007 695 HA TRP 89 HA TRP 89 60.811 72.817 59.429 696 1HB TRP 89 2HB TRP 89 60.539 75.755 60.320 697 2HB TRP 89 1HB TRP 89 61.312 75.411 58.719 698 HD1 TRP 89 HD1 TRP 89 57.915 75.939 60.037 699 HE1 TRP 89 HE1 TRP 89 56.250 74.633 58.483 700 HE3 TRP 89 HE3 TRP 89 61.246 73.190 57.570 701 HZ2 TRP 89 HZ2 TRP 89 56.468 72.610 56.461 702 HZ3 TRP 89 HZ3 TRP 89 60.571 71.572 55.838 703 HH2 TRP 89 HH2 TRP 89 58.272 71.334 55.405 704 H GLU 90 H GLU 90 62.932 72.617 58.471 705 HA GLU 90 HA GLU 90 64.988 73.297 60.485 706 1HB GLU 90 2HB GLU 90 64.748 70.938 59.609 707 2HB GLU 90 1HB GLU 90 64.994 71.561 57.933 708 1HG GLU 90 2HG GLU 90 67.088 70.524 59.208 709 2HG GLU 90 1HG GLU 90 67.286 72.308 58.599 710 H GLY 91 H GLY 91 63.787 73.888 57.264 711 1HA GLY 91 1HA GLY 91 64.641 76.377 56.775 712 2HA GLY 91 2HA GLY 91 66.135 75.394 56.239 713 H ASN 92 H ASN 92 64.849 73.124 55.828 714 HA ASN 92 HA ASN 92 62.819 73.445 53.722 715 1HB ASN 92 2HB ASN 92 64.167 72.006 52.013 716 2HB ASN 92 1HB ASN 92 64.959 73.692 52.365 717 1HD2 ASN 92 2HD2 ASN 92 66.795 70.219 53.052 718 2HD2 ASN 92 1HD2 ASN 92 65.284 70.411 52.220 719 H THR 93 H THR 93 62.939 72.291 56.296 720 HA THR 93 HA THR 93 61.631 69.805 55.613 721 HB THR 93 HB THR 93 63.934 68.942 55.311 722 HG1 THR 93 1HG THR 93 62.903 67.620 57.393 723 1HG2 THR 93 2HG2 THR 93 63.925 69.448 58.354 724 2HG2 THR 93 1HG2 THR 93 64.856 68.034 57.652 725 3HG2 THR 93 3HG2 THR 93 65.342 69.738 57.272 726 H LEU 94 H LEU 94 60.704 68.683 57.009 727 HA LEU 94 HA LEU 94 59.811 70.150 59.403 728 1HB LEU 94 2HB LEU 94 58.186 69.258 57.731 729 2HB LEU 94 1HB LEU 94 58.575 67.602 58.286 730 HG LEU 94 HG LEU 94 58.297 68.749 60.696 731 1HD1 LEU 94 3HD1 LEU 94 56.350 70.179 58.764 732 2HD1 LEU 94 2HD1 LEU 94 55.933 69.906 60.508 733 3HD1 LEU 94 1HD1 LEU 94 57.376 70.927 60.091 734 1HD2 LEU 94 3HD2 LEU 94 56.211 67.369 58.929 735 2HD2 LEU 94 2HD2 LEU 94 57.284 66.712 60.234 736 3HD2 LEU 94 1HD2 LEU 94 55.854 67.802 60.639 737 H VAL 95 H VAL 95 61.364 70.008 60.753 738 HA VAL 95 HA VAL 95 62.431 67.541 61.885 739 HB VAL 95 HB VAL 95 62.296 70.534 62.832 740 1HG1 VAL 95 3HG1 VAL 95 63.821 68.174 63.969 741 2HG1 VAL 95 2HG1 VAL 95 64.290 69.912 64.305 742 3HG1 VAL 95 1HG1 VAL 95 62.670 69.238 64.797 743 1HG2 VAL 95 1HG2 VAL 95 63.693 69.705 60.677 744 2HG2 VAL 95 3HG2 VAL 95 64.589 70.765 61.855 745 3HG2 VAL 95 2HG2 VAL 95 64.792 68.949 61.966 746 H CYS 96 H CYS 96 61.290 66.357 63.522 747 HA CYS 96 HA CYS 96 59.819 67.995 65.506 748 1HB CYS 96 2HB CYS 96 58.448 65.429 64.736 749 2HB CYS 96 1HB CYS 96 57.661 66.955 65.091 750 HG CYS 96 HG CYS 96 58.862 65.834 62.260 751 H VAL 97 H VAL 97 59.634 67.230 67.339 752 HA VAL 97 HA VAL 97 60.988 64.682 68.113 753 HB VAL 97 HB VAL 97 61.657 66.155 70.171 754 1HG1 VAL 97 3HG1 VAL 97 63.294 65.189 68.391 755 2HG1 VAL 97 2HG1 VAL 97 63.063 66.704 67.405 756 3HG1 VAL 97 1HG1 VAL 97 63.800 66.751 69.116 757 1HG2 VAL 97 3HG2 VAL 97 61.225 68.287 68.041 758 2HG2 VAL 97 2HG2 VAL 97 60.407 68.126 69.715 759 3HG2 VAL 97 1HG2 VAL 97 62.180 68.477 69.519 760 H GLN 98 H GLN 98 60.380 63.645 69.708 761 HA GLN 98 HA GLN 98 57.846 64.347 71.122 762 1HB GLN 98 2HB GLN 98 58.566 61.958 69.984 763 2HB GLN 98 1HB GLN 98 59.324 61.691 71.653 764 1HG GLN 98 2HG GLN 98 57.247 60.865 72.113 765 2HG GLN 98 1HG GLN 98 56.863 62.593 72.447 766 1HE2 GLN 98 1HE2 GLN 98 55.607 62.434 68.761 767 2HE2 GLN 98 2HE2 GLN 98 57.084 63.130 69.424 768 H LYS 99 H LYS 99 58.272 65.663 72.600 769 HA LYS 99 HA LYS 99 60.761 65.115 74.238 770 1HB LYS 99 2HB LYS 99 59.707 67.481 73.494 771 2HB LYS 99 1HB LYS 99 59.033 67.412 75.151 772 1HG LYS 99 2HG LYS 99 61.287 66.944 76.067 773 2HG LYS 99 1HG LYS 99 62.054 66.929 74.446 774 1HD LYS 99 2HD LYS 99 61.389 69.385 74.266 775 2HD LYS 99 1HD LYS 99 60.749 69.293 76.008 776 1HE LYS 99 2HE LYS 99 63.004 69.062 76.801 777 2HE LYS 99 1HE LYS 99 63.443 68.153 75.265 778 1HZ LYS 99 1HZ LYS 99 63.485 70.326 74.150 779 2HZ LYS 99 3HZ LYS 99 63.047 71.082 75.545 780 3HZ LYS 99 2HZ LYS 99 64.558 70.330 75.434 781 H GLY 100 H GLY 100 60.400 63.416 75.367 782 1HA GLY 100 1HA GLY 100 59.803 63.322 77.966 783 2HA GLY 100 2HA GLY 100 58.110 63.631 77.433 784 H GLU 101 H GLU 101 58.864 61.885 79.097 785 HA GLU 101 HA GLU 101 58.702 59.697 79.796 786 1HB GLU 101 2HB GLU 101 56.858 60.178 77.457 787 2HB GLU 101 1HB GLU 101 57.457 58.518 77.376 788 1HG GLU 101 2HG GLU 101 55.913 58.016 79.030 789 2HG GLU 101 1HG GLU 101 56.760 59.217 80.156 790 H LYS 102 H LYS 102 59.046 57.403 78.937 791 HA LYS 102 HA LYS 102 61.759 56.830 78.565 792 1HB LYS 102 2HB LYS 102 60.227 55.103 79.210 793 2HB LYS 102 1HB LYS 102 59.234 55.346 77.705 794 1HG LYS 102 2HG LYS 102 62.131 54.748 77.060 795 2HG LYS 102 1HG LYS 102 61.393 53.517 78.107 796 1HD LYS 102 2HD LYS 102 59.385 54.175 76.126 797 2HD LYS 102 1HD LYS 102 60.948 53.820 75.302 798 1HE LYS 102 2HE LYS 102 60.639 51.911 77.430 799 2HE LYS 102 1HE LYS 102 59.025 52.101 76.613 800 1HZ LYS 102 2HZ LYS 102 60.846 52.015 74.584 801 2HZ LYS 102 1HZ LYS 102 61.509 50.917 75.647 802 3HZ LYS 102 3HZ LYS 102 59.939 50.697 75.068 803 H GLU 103 H GLU 103 59.442 56.302 76.053 804 HA GLU 103 HA GLU 103 61.331 55.837 73.978 805 1HB GLU 103 2HB GLU 103 59.477 55.473 72.667 806 2HB GLU 103 1HB GLU 103 58.603 55.680 74.247 807 1HG GLU 103 2HG GLU 103 59.019 57.985 72.274 808 2HG GLU 103 1HG GLU 103 57.428 57.106 72.655 809 H ASN 104 H ASN 104 61.616 56.640 72.060 810 HA ASN 104 HA ASN 104 61.862 59.571 71.953 811 1HB ASN 104 2HB ASN 104 63.771 57.276 71.710 812 2HB ASN 104 1HB ASN 104 63.852 58.286 70.176 813 1HD2 ASN 104 1HD2 ASN 104 65.156 59.655 73.853 814 2HD2 ASN 104 2HD2 ASN 104 64.168 58.091 73.568 815 H ARG 105 H ARG 105 60.281 60.147 70.639 816 HA ARG 105 HA ARG 105 59.622 58.395 68.362 817 1HB ARG 105 2HB ARG 105 57.786 60.055 70.159 818 2HB ARG 105 1HB ARG 105 57.378 59.844 68.422 819 1HG ARG 105 2HG ARG 105 57.985 57.630 70.433 820 2HG ARG 105 1HG ARG 105 56.329 58.140 69.751 821 1HD ARG 105 2HD ARG 105 58.641 56.757 68.229 822 2HD ARG 105 1HD ARG 105 56.923 56.222 68.432 823 HE ARG 105 HE ARG 105 58.197 58.264 66.696 824 1HH1 ARG 105 2HH2 ARG 105 55.150 57.057 68.125 825 2HH1 ARG 105 1HH2 ARG 105 54.057 57.751 66.972 826 1HH2 ARG 105 2HH1 ARG 105 56.708 59.257 65.052 827 2HH2 ARG 105 1HH1 ARG 105 54.949 59.012 65.195 828 H GLY 106 H GLY 106 61.703 59.992 68.486 829 1HA GLY 106 1HA GLY 106 61.530 62.565 67.200 830 2HA GLY 106 2HA GLY 106 62.896 61.396 67.053 831 H TRP 107 H TRP 107 59.811 62.187 65.750 832 HA TRP 107 HA TRP 107 60.483 60.890 63.165 833 1HB TRP 107 2HB TRP 107 58.361 60.179 62.979 834 2HB TRP 107 1HB TRP 107 58.000 60.843 64.651 835 HD1 TRP 107 HD1 TRP 107 57.883 61.698 60.904 836 HE1 TRP 107 HE1 TRP 107 56.494 63.885 60.511 837 HE3 TRP 107 HE3 TRP 107 57.339 62.930 65.772 838 HZ2 TRP 107 HZ2 TRP 107 55.489 65.663 62.131 839 HZ3 TRP 107 HZ3 TRP 107 56.105 64.970 66.310 840 HH2 TRP 107 HH2 TRP 107 55.198 66.319 64.420 841 H LYS 108 H LYS 108 60.842 61.762 61.450 842 HA LYS 108 HA LYS 108 60.181 64.538 60.997 843 1HB LYS 108 2HB LYS 108 62.853 64.815 60.539 844 2HB LYS 108 1HB LYS 108 62.181 65.031 62.251 845 1HG LYS 108 2HG LYS 108 62.652 62.463 62.542 846 2HG LYS 108 1HG LYS 108 63.600 62.623 60.993 847 1HD LYS 108 2HD LYS 108 64.901 62.683 63.202 848 2HD LYS 108 1HD LYS 108 65.238 64.115 62.180 849 1HE LYS 108 2HE LYS 108 62.809 64.194 63.958 850 2HE LYS 108 1HE LYS 108 64.445 64.057 64.846 851 1HZ LYS 108 1HZ LYS 108 64.563 65.972 62.763 852 2HZ LYS 108 3HZ LYS 108 63.256 66.368 63.730 853 3HZ LYS 108 2HZ LYS 108 64.803 66.232 64.373 854 H GLN 109 H GLN 109 60.625 65.401 59.093 855 HA GLN 109 HA GLN 109 61.136 63.315 56.866 856 1HB GLN 109 2HB GLN 109 60.161 66.171 56.554 857 2HB GLN 109 1HB GLN 109 59.673 64.757 55.473 858 1HG GLN 109 2HG GLN 109 58.783 65.461 58.389 859 2HG GLN 109 1HG GLN 109 57.757 65.287 56.810 860 1HE2 GLN 109 2HE2 GLN 109 58.422 62.175 59.172 861 2HE2 GLN 109 1HE2 GLN 109 58.601 63.966 59.647 862 H TRP 110 H TRP 110 61.961 64.436 54.767 863 HA TRP 110 HA TRP 110 63.495 66.758 54.748 864 1HB TRP 110 2HB TRP 110 65.801 65.743 55.018 865 2HB TRP 110 1HB TRP 110 64.847 66.205 56.491 866 HD1 TRP 110 HD1 TRP 110 64.916 62.813 54.378 867 HE1 TRP 110 HE1 TRP 110 65.260 60.942 56.156 868 HE3 TRP 110 HE3 TRP 110 65.214 65.747 58.288 869 HZ2 TRP 110 HZ2 TRP 110 65.648 60.931 58.914 870 HZ3 TRP 110 HZ3 TRP 110 65.589 64.942 60.540 871 HH2 TRP 110 HH2 TRP 110 65.820 62.474 60.829 872 H VAL 111 H VAL 111 62.554 66.674 52.720 873 HA VAL 111 HA VAL 111 62.862 64.893 50.617 874 HB VAL 111 HB VAL 111 63.392 67.933 50.593 875 1HG1 VAL 111 1HG1 VAL 111 62.846 65.918 48.425 876 2HG1 VAL 111 3HG1 VAL 111 62.103 67.576 48.285 877 3HG1 VAL 111 2HG1 VAL 111 63.864 67.439 48.479 878 1HG2 VAL 111 1HG2 VAL 111 61.015 66.385 51.416 879 2HG2 VAL 111 3HG2 VAL 111 61.207 68.220 51.214 880 3HG2 VAL 111 2HG2 VAL 111 60.686 67.109 49.829 881 H GLU 112 H GLU 112 64.493 63.706 50.443 882 HA GLU 112 HA GLU 112 67.197 64.783 50.279 883 1HB GLU 112 2HB GLU 112 66.168 61.900 49.999 884 2HB GLU 112 1HB GLU 112 67.874 62.348 50.175 885 1HG GLU 112 2HG GLU 112 66.898 63.734 52.325 886 2HG GLU 112 1HG GLU 112 65.735 62.216 52.242 887 H GLY 113 H GLY 113 65.142 65.336 48.080 888 1HA GLY 113 1HA GLY 113 66.454 65.839 45.812 889 2HA GLY 113 2HA GLY 113 66.552 64.032 45.762 890 H ASP 114 H ASP 114 65.046 62.960 44.977 891 HA ASP 114 HA ASP 114 62.649 64.312 43.769 892 1HB ASP 114 2HB ASP 114 64.475 61.903 43.063 893 2HB ASP 114 1HB ASP 114 62.816 62.214 42.227 894 H LYS 115 H LYS 115 63.183 62.822 46.387 895 HA LYS 115 HA LYS 115 60.524 61.451 46.524 896 1HB LYS 115 2HB LYS 115 61.469 59.513 47.572 897 2HB LYS 115 1HB LYS 115 62.258 59.747 45.970 898 1HG LYS 115 2HG LYS 115 64.109 61.091 47.239 899 2HG LYS 115 1HG LYS 115 63.442 60.287 48.754 900 1HD LYS 115 2HD LYS 115 64.812 58.500 48.057 901 2HD LYS 115 1HD LYS 115 63.656 58.251 46.674 902 1HE LYS 115 2HE LYS 115 64.892 59.832 45.311 903 2HE LYS 115 1HE LYS 115 65.947 60.297 46.668 904 1HZ LYS 115 2HZ LYS 115 65.926 57.419 45.888 905 2HZ LYS 115 1HZ LYS 115 66.670 58.521 44.868 906 3HZ LYS 115 3HZ LYS 115 67.201 58.370 46.425 907 H LEU 116 H LEU 116 60.165 60.884 48.876 908 HA LEU 116 HA LEU 116 61.592 62.968 50.521 909 1HB LEU 116 2HB LEU 116 59.859 64.314 49.994 910 2HB LEU 116 1HB LEU 116 58.602 62.982 49.920 911 HG LEU 116 HG LEU 116 60.029 63.620 52.545 912 1HD1 LEU 116 1HD1 LEU 116 57.842 65.260 51.096 913 2HD1 LEU 116 3HD1 LEU 116 57.680 65.003 52.840 914 3HD1 LEU 116 2HD1 LEU 116 59.187 65.841 52.133 915 1HD2 LEU 116 1HD2 LEU 116 57.589 62.120 51.643 916 2HD2 LEU 116 3HD2 LEU 116 58.563 61.836 53.124 917 3HD2 LEU 116 2HD2 LEU 116 57.292 63.085 53.146 918 H TYR 117 H TYR 117 62.305 62.299 52.240 919 HA TYR 117 HA TYR 117 61.356 59.640 53.052 920 1HB TYR 117 2HB TYR 117 63.400 61.616 54.185 921 2HB TYR 117 1HB TYR 117 63.137 59.991 54.932 922 HD1 TYR 117 HD1 TYR 117 63.691 61.290 51.273 923 HD2 TYR 117 HD2 TYR 117 64.600 58.300 54.217 924 HE1 TYR 117 HE1 TYR 117 65.141 60.125 49.712 925 HE2 TYR 117 HE2 TYR 117 66.051 57.175 52.592 926 HH TYR 117 HH TYR 117 67.256 58.542 49.917 927 H LEU 118 H LEU 118 60.968 58.908 54.997 928 HA LEU 118 HA LEU 118 59.504 60.715 56.911 929 1HB LEU 118 2HB LEU 118 58.217 59.151 54.864 930 2HB LEU 118 1HB LEU 118 58.113 58.084 56.348 931 HG LEU 118 HG LEU 118 56.767 60.734 55.753 932 1HD1 LEU 118 1HD1 LEU 118 56.212 57.907 56.690 933 2HD1 LEU 118 3HD1 LEU 118 55.128 59.192 57.270 934 3HD1 LEU 118 2HD1 LEU 118 55.358 58.948 55.455 935 1HD2 LEU 118 2HD2 LEU 118 58.159 60.269 58.276 936 2HD2 LEU 118 1HD2 LEU 118 56.842 61.484 57.985 937 3HD2 LEU 118 3HD2 LEU 118 56.427 59.827 58.598 938 H GLU 119 H GLU 119 61.916 59.897 57.196 939 HA GLU 119 HA GLU 119 62.451 57.424 58.588 940 1HB GLU 119 2HB GLU 119 63.833 60.182 58.409 941 2HB GLU 119 1HB GLU 119 64.202 59.008 59.711 942 1HG GLU 119 2HG GLU 119 64.639 57.191 58.007 943 2HG GLU 119 1HG GLU 119 64.228 58.404 56.707 944 H LEU 120 H LEU 120 62.827 57.144 60.857 945 HA LEU 120 HA LEU 120 61.790 59.238 62.616 946 1HB LEU 120 2HB LEU 120 59.723 58.623 63.244 947 2HB LEU 120 1HB LEU 120 59.760 58.253 61.430 948 HG LEU 120 HG LEU 120 60.593 55.889 62.912 949 1HD1 LEU 120 3HD1 LEU 120 57.885 57.221 63.657 950 2HD1 LEU 120 2HD1 LEU 120 58.155 55.451 63.764 951 3HD1 LEU 120 1HD1 LEU 120 59.132 56.643 64.802 952 1HD2 LEU 120 3HD2 LEU 120 58.578 56.643 60.835 953 2HD2 LEU 120 2HD2 LEU 120 59.611 55.140 60.904 954 3HD2 LEU 120 1HD2 LEU 120 58.113 55.245 61.857 955 H THR 121 H THR 121 61.217 58.256 64.887 956 HA THR 121 HA THR 121 62.987 55.873 65.394 957 HB THR 121 HB THR 121 63.142 58.690 66.707 958 HG1 THR 121 1HG THR 121 64.312 58.516 64.945 959 1HG2 THR 121 2HG2 THR 121 64.553 56.017 67.508 960 2HG2 THR 121 1HG2 THR 121 65.154 57.650 67.996 961 3HG2 THR 121 3HG2 THR 121 63.595 57.057 68.649 962 H CYS 122 H CYS 122 62.447 54.755 67.570 963 HA CYS 122 HA CYS 122 60.074 55.703 68.925 964 1HB CYS 122 2HB CYS 122 59.237 53.088 68.086 965 2HB CYS 122 1HB CYS 122 58.587 54.555 67.393 966 HG CYS 122 HG CYS 122 60.637 52.273 66.374 967 H GLY 123 H GLY 123 61.743 55.681 70.334 968 1HA GLY 123 1HA GLY 123 62.553 54.825 72.396 969 2HA GLY 123 2HA GLY 123 61.397 53.486 72.172 970 H ASP 124 H ASP 124 64.257 54.711 70.473 971 HA ASP 124 HA ASP 124 66.211 53.823 69.664 972 1HB ASP 124 2HB ASP 124 65.661 51.667 71.868 973 2HB ASP 124 1HB ASP 124 67.258 51.907 71.010 974 H GLN 125 H GLN 125 64.193 53.503 68.204 975 HA GLN 125 HA GLN 125 64.745 50.717 67.058 976 1HB GLN 125 2HB GLN 125 62.042 51.826 67.951 977 2HB GLN 125 1HB GLN 125 62.054 51.014 66.371 978 1HG GLN 125 2HG GLN 125 63.113 49.703 68.924 979 2HG GLN 125 1HG GLN 125 61.490 49.486 68.121 980 1HE2 GLN 125 1HE2 GLN 125 64.056 47.078 66.671 981 2HE2 GLN 125 2HE2 GLN 125 63.374 47.447 68.386 982 H VAL 126 H VAL 126 65.574 53.434 66.683 983 HA VAL 126 HA VAL 126 64.976 55.151 64.845 984 HB VAL 126 HB VAL 126 67.538 53.369 64.648 985 1HG1 VAL 126 2HG1 VAL 126 66.528 55.943 63.235 986 2HG1 VAL 126 1HG1 VAL 126 68.284 55.646 63.477 987 3HG1 VAL 126 3HG1 VAL 126 67.386 54.511 62.443 988 1HG2 VAL 126 2HG2 VAL 126 66.717 55.008 66.643 989 2HG2 VAL 126 1HG2 VAL 126 68.434 54.750 66.155 990 3HG2 VAL 126 3HG2 VAL 126 67.598 56.224 65.570 991 H CYS 127 H CYS 127 63.185 54.461 63.636 992 HA CYS 127 HA CYS 127 63.498 52.350 61.590 993 1HB CYS 127 2HB CYS 127 61.425 54.132 62.864 994 2HB CYS 127 1HB CYS 127 61.142 53.793 61.116 995 HG CYS 127 HG CYS 127 62.091 51.039 62.062 996 H ARG 128 H ARG 128 63.314 52.495 59.468 997 HA ARG 128 HA ARG 128 64.089 55.229 58.304 998 1HB ARG 128 2HB ARG 128 65.989 53.628 58.563 999 2HB ARG 128 1HB ARG 128 65.151 52.511 57.361 1000 1HG ARG 128 2HG ARG 128 65.320 54.101 55.567 1001 2HG ARG 128 1HG ARG 128 65.503 55.464 56.673 1002 1HD ARG 128 2HD ARG 128 67.775 55.257 56.275 1003 2HD ARG 128 1HD ARG 128 67.722 53.725 57.255 1004 HE ARG 128 HE ARG 128 68.014 52.509 55.297 1005 1HH1 ARG 128 1HH2 ARG 128 67.111 55.785 54.519 1006 2HH1 ARG 128 2HH2 ARG 128 67.393 55.637 52.791 1007 1HH2 ARG 128 2HH1 ARG 128 68.429 52.271 52.967 1008 2HH2 ARG 128 1HH1 ARG 128 68.158 53.629 51.896 1009 H GLN 129 H GLN 129 63.508 55.796 56.310 1010 HA GLN 129 HA GLN 129 61.502 53.877 55.072 1011 1HB GLN 129 2HB GLN 129 61.028 56.819 55.922 1012 2HB GLN 129 1HB GLN 129 60.000 55.895 54.684 1013 1HG GLN 129 2HG GLN 129 59.900 54.054 56.524 1014 2HG GLN 129 1HG GLN 129 60.246 55.425 57.701 1015 1HE2 GLN 129 2HE2 GLN 129 56.957 56.303 57.823 1016 2HE2 GLN 129 1HE2 GLN 129 58.536 56.154 58.573 1017 H VAL 130 H VAL 130 60.630 54.521 52.934 1018 HA VAL 130 HA VAL 130 62.554 56.314 51.486 1019 HB VAL 130 HB VAL 130 62.098 53.424 50.419 1020 1HG1 VAL 130 2HG1 VAL 130 63.934 55.807 49.858 1021 2HG1 VAL 130 1HG1 VAL 130 64.490 54.153 49.476 1022 3HG1 VAL 130 3HG1 VAL 130 62.961 54.690 48.721 1023 1HG2 VAL 130 3HG2 VAL 130 63.362 53.290 52.751 1024 2HG2 VAL 130 2HG2 VAL 130 64.122 52.618 51.298 1025 3HG2 VAL 130 1HG2 VAL 130 64.678 54.234 51.886 1026 H PHE 131 H PHE 131 61.843 57.100 49.757 1027 HA PHE 131 HA PHE 131 59.065 56.421 48.826 1028 1HB PHE 131 2HB PHE 131 60.413 59.026 49.700 1029 2HB PHE 131 1HB PHE 131 58.905 59.031 48.693 1030 HD1 PHE 131 HD1 PHE 131 60.266 57.610 51.860 1031 HD2 PHE 131 HD2 PHE 131 56.893 58.914 49.649 1032 HE1 PHE 131 HE1 PHE 131 58.852 57.282 53.963 1033 HE2 PHE 131 HE2 PHE 131 55.478 58.589 51.707 1034 HZ PHE 131 HZ PHE 131 56.515 57.785 53.788 1035 H LYS 132 H LYS 132 58.577 58.069 47.032 1036 HA LYS 132 HA LYS 132 60.648 59.011 45.292 1037 1HB LYS 132 2HB LYS 132 60.501 57.466 43.471 1038 2HB LYS 132 1HB LYS 132 60.534 56.388 44.947 1039 1HG LYS 132 2HG LYS 132 58.912 55.396 43.698 1040 2HG LYS 132 1HG LYS 132 57.798 56.454 44.664 1041 1HD LYS 132 2HD LYS 132 57.439 57.896 42.844 1042 2HD LYS 132 1HD LYS 132 59.067 57.536 42.095 1043 1HE LYS 132 2HE LYS 132 57.065 55.245 42.287 1044 2HE LYS 132 1HE LYS 132 56.649 56.651 41.171 1045 1HZ LYS 132 3HZ LYS 132 58.836 56.244 40.160 1046 2HZ LYS 132 2HZ LYS 132 59.121 54.993 41.236 1047 3HZ LYS 132 1HZ LYS 132 57.867 54.889 40.125 1048 H LYS 133 H LYS 133 59.774 60.651 44.506 1049 HA LYS 133 HA LYS 133 57.027 61.488 45.038 1050 1HB LYS 133 2HB LYS 133 58.748 63.134 44.328 1051 2HB LYS 133 1HB LYS 133 58.727 62.324 42.660 1052 1HG LYS 133 2HG LYS 133 56.311 62.906 42.490 1053 2HG LYS 133 1HG LYS 133 56.309 63.422 44.249 1054 1HD LYS 133 2HD LYS 133 56.220 65.451 42.935 1055 2HD LYS 133 1HD LYS 133 57.993 65.222 43.392 1056 1HE LYS 133 2HE LYS 133 58.545 64.399 41.285 1057 2HE LYS 133 1HE LYS 133 56.744 64.072 40.895 1058 1HZ LYS 133 3HZ LYS 133 57.684 66.830 41.418 1059 2HZ LYS 133 2HZ LYS 133 57.831 66.213 39.852 1060 3HZ LYS 133 1HZ LYS 133 56.366 66.274 40.591 1061 H LYS 134 H LYS 134 55.654 60.130 44.783 1062 HA LYS 134 HA LYS 134 53.749 59.278 43.742 1063 1HB LYS 134 2HB LYS 134 54.004 61.539 42.379 1064 2HB LYS 134 1HB LYS 134 54.707 60.540 41.105 1065 1HG LYS 134 2HG LYS 134 52.611 59.654 40.563 1066 2HG LYS 134 1HG LYS 134 52.008 59.571 42.265 1067 1HD LYS 134 2HD LYS 134 50.845 61.327 40.938 1068 2HD LYS 134 1HD LYS 134 51.791 62.010 42.361 1069 1HE LYS 134 2HE LYS 134 53.268 63.134 41.159 1070 2HE LYS 134 1HE LYS 134 53.422 61.749 39.950 1071 1HZ LYS 134 3HZ LYS 134 51.089 63.641 39.960 1072 2HZ LYS 134 2HZ LYS 134 52.466 64.027 39.148 1073 3HZ LYS 134 1HZ LYS 134 51.601 62.670 38.718 No H/Q in entry = 1073 Start of MODEL 17 1 1H MET 1 3H MET 1 63.740 71.777 47.114 2 2H MET 1 2H MET 1 62.560 71.405 45.988 3 3H MET 1 1H MET 1 64.174 71.395 45.596 4 HA MET 1 HA MET 1 64.360 73.674 45.357 5 1HB MET 1 2HB MET 1 61.301 73.048 45.131 6 2HB MET 1 1HB MET 1 61.963 74.686 44.838 7 1HG MET 1 2HG MET 1 63.460 74.008 43.049 8 2HG MET 1 1HG MET 1 63.315 72.323 43.378 9 1HE MET 1 2HE MET 1 61.486 70.857 42.812 10 2HE MET 1 1HE MET 1 60.233 71.234 41.523 11 3HE MET 1 3HE MET 1 62.051 71.140 41.249 12 H THR 2 H THR 2 61.423 73.169 47.335 13 HA THR 2 HA THR 2 62.605 74.659 49.541 14 HB THR 2 HB THR 2 60.130 76.176 48.887 15 HG1 THR 2 1HG THR 2 62.031 76.574 46.903 16 1HG2 THR 2 3HG2 THR 2 63.213 76.600 49.322 17 2HG2 THR 2 2HG2 THR 2 62.256 77.962 48.640 18 3HG2 THR 2 1HG2 THR 2 61.858 77.300 50.256 19 H LYS 3 H LYS 3 61.539 74.499 51.343 20 HA LYS 3 HA LYS 3 60.082 73.374 52.870 21 1HB LYS 3 2HB LYS 3 57.896 74.403 50.997 22 2HB LYS 3 1HB LYS 3 57.794 74.083 52.764 23 1HG LYS 3 2HG LYS 3 59.781 76.120 51.445 24 2HG LYS 3 1HG LYS 3 58.124 76.583 51.999 25 1HD LYS 3 2HD LYS 3 58.654 75.932 54.302 26 2HD LYS 3 1HD LYS 3 60.189 75.119 53.808 27 1HE LYS 3 2HE LYS 3 59.500 78.086 53.477 28 2HE LYS 3 1HE LYS 3 60.449 77.371 54.915 29 1HZ LYS 3 1HZ LYS 3 61.468 76.518 52.368 30 2HZ LYS 3 3HZ LYS 3 61.541 78.160 52.499 31 3HZ LYS 3 2HZ LYS 3 62.296 77.200 53.640 32 H ASP 4 H ASP 4 60.825 71.241 52.184 33 HA ASP 4 HA ASP 4 60.422 69.029 51.586 34 1HB ASP 4 2HB ASP 4 57.579 69.860 52.555 35 2HB ASP 4 1HB ASP 4 57.966 68.225 51.844 36 H GLN 5 H GLN 5 57.117 69.598 50.349 37 HA GLN 5 HA GLN 5 57.860 70.464 47.720 38 1HB GLN 5 2HB GLN 5 58.658 67.900 48.424 39 2HB GLN 5 1HB GLN 5 56.986 67.568 47.687 40 1HG GLN 5 2HG GLN 5 57.510 68.860 45.700 41 2HG GLN 5 1HG GLN 5 59.220 69.188 46.433 42 1HE2 GLN 5 1HE2 GLN 5 60.606 66.142 45.539 43 2HE2 GLN 5 2HE2 GLN 5 60.710 67.679 46.393 44 H ASN 6 H ASN 6 55.755 68.682 46.697 45 HA ASN 6 HA ASN 6 53.292 68.936 48.096 46 1HB ASN 6 2HB ASN 6 53.621 71.413 47.197 47 2HB ASN 6 1HB ASN 6 53.517 70.707 45.518 48 1HD2 ASN 6 1HD2 ASN 6 50.175 70.958 47.836 49 2HD2 ASN 6 2HD2 ASN 6 51.937 71.165 48.533 50 H GLY 7 H GLY 7 52.594 67.024 47.558 51 1HA GLY 7 1HA GLY 7 51.580 66.456 44.870 52 2HA GLY 7 2HA GLY 7 53.149 65.680 45.182 53 H THR 8 H THR 8 53.081 63.790 45.658 54 HA THR 8 HA THR 8 51.826 62.617 47.898 55 HB THR 8 HB THR 8 50.483 61.943 45.162 56 HG1 THR 8 1HG THR 8 49.806 63.210 47.513 57 1HG2 THR 8 2HG2 THR 8 50.427 60.643 48.013 58 2HG2 THR 8 1HG2 THR 8 49.457 60.086 46.591 59 3HG2 THR 8 3HG2 THR 8 51.267 59.877 46.620 60 H TRP 9 H TRP 9 52.547 60.762 48.273 61 HA TRP 9 HA TRP 9 54.659 59.653 46.472 62 1HB TRP 9 2HB TRP 9 55.546 59.675 49.347 63 2HB TRP 9 1HB TRP 9 56.532 59.809 47.809 64 HD1 TRP 9 HD1 TRP 9 53.781 61.933 49.513 65 HE1 TRP 9 HE1 TRP 9 54.326 64.395 49.613 66 HE3 TRP 9 HE3 TRP 9 58.055 61.459 47.293 67 HZ2 TRP 9 HZ2 TRP 9 56.483 65.861 48.735 68 HZ3 TRP 9 HZ3 TRP 9 59.478 63.528 46.855 69 HH2 TRP 9 HH2 TRP 9 58.670 65.614 47.572 70 H GLU 10 H GLU 10 54.678 57.573 46.142 71 HA GLU 10 HA GLU 10 52.670 55.982 47.456 72 1HB GLU 10 2HB GLU 10 54.973 55.373 45.440 73 2HB GLU 10 1HB GLU 10 53.751 54.139 45.938 74 1HG GLU 10 2HG GLU 10 52.379 56.677 45.364 75 2HG GLU 10 1HG GLU 10 53.576 56.266 44.015 76 H MET 11 H MET 11 55.718 56.824 48.427 77 HA MET 11 HA MET 11 57.243 55.863 50.105 78 1HB MET 11 2HB MET 11 54.673 55.718 50.969 79 2HB MET 11 1HB MET 11 54.893 53.934 50.661 80 1HG MET 11 2HG MET 11 56.860 53.904 52.199 81 2HG MET 11 1HG MET 11 56.699 55.662 52.416 82 1HE MET 11 2HE MET 11 55.734 56.557 54.580 83 2HE MET 11 1HE MET 11 54.331 56.752 53.442 84 3HE MET 11 3HE MET 11 54.094 56.158 55.103 85 H GLU 12 H GLU 12 57.914 55.112 47.794 86 HA GLU 12 HA GLU 12 57.749 52.718 46.559 87 1HB GLU 12 2HB GLU 12 59.427 54.199 45.604 88 2HB GLU 12 1HB GLU 12 60.135 54.497 47.257 89 1HG GLU 12 2HG GLU 12 61.250 52.374 47.316 90 2HG GLU 12 1HG GLU 12 60.100 51.757 45.958 91 H SER 13 H SER 13 59.284 53.350 49.655 92 HA SER 13 HA SER 13 59.387 50.344 50.069 93 1HB SER 13 2HB SER 13 61.737 51.793 49.255 94 2HB SER 13 1HB SER 13 61.774 51.771 51.134 95 HG SER 13 HG SER 13 61.558 49.629 49.295 96 H ASN 14 H ASN 14 59.631 49.643 51.918 97 HA ASN 14 HA ASN 14 59.377 51.539 54.199 98 1HB ASN 14 2HB ASN 14 57.817 48.857 53.700 99 2HB ASN 14 1HB ASN 14 57.608 49.941 55.182 100 1HD2 ASN 14 1HD2 ASN 14 55.469 50.596 51.943 101 2HD2 ASN 14 2HD2 ASN 14 56.226 48.967 52.509 102 H GLU 15 H GLU 15 60.543 51.408 55.752 103 HA GLU 15 HA GLU 15 61.939 48.763 56.044 104 1HB GLU 15 2HB GLU 15 63.197 51.176 55.602 105 2HB GLU 15 1HB GLU 15 62.907 51.366 57.380 106 1HG GLU 15 2HG GLU 15 64.605 50.103 57.871 107 2HG GLU 15 1HG GLU 15 63.875 48.694 56.840 108 H ASN 16 H ASN 16 61.509 47.617 57.749 109 HA ASN 16 HA ASN 16 60.648 46.979 59.823 110 1HB ASN 16 2HB ASN 16 62.828 48.174 60.490 111 2HB ASN 16 1HB ASN 16 61.794 49.712 60.717 112 1HD2 ASN 16 1HD2 ASN 16 61.478 48.783 64.048 113 2HD2 ASN 16 2HD2 ASN 16 62.140 49.970 62.753 114 H PHE 17 H PHE 17 58.652 47.111 59.248 115 HA PHE 17 HA PHE 17 57.085 49.552 60.104 116 1HB PHE 17 2HB PHE 17 55.152 47.713 59.249 117 2HB PHE 17 1HB PHE 17 55.857 49.067 58.296 118 HD1 PHE 17 HD1 PHE 17 56.178 45.450 59.158 119 HD2 PHE 17 HD2 PHE 17 57.316 48.528 56.464 120 HE1 PHE 17 HE1 PHE 17 57.160 43.831 57.630 121 HE2 PHE 17 HE2 PHE 17 58.327 46.868 54.889 122 HZ PHE 17 HZ PHE 17 58.269 44.511 55.431 123 H GLU 18 H GLU 18 57.380 46.079 60.568 124 HA GLU 18 HA GLU 18 55.245 45.934 62.694 125 1HB GLU 18 2HB GLU 18 56.152 43.994 61.078 126 2HB GLU 18 1HB GLU 18 57.654 44.080 62.049 127 1HG GLU 18 2HG GLU 18 56.622 43.388 64.004 128 2HG GLU 18 1HG GLU 18 54.879 43.720 63.382 129 H GLY 19 H GLY 19 58.782 46.124 62.547 130 1HA GLY 19 1HA GLY 19 58.940 45.572 65.409 131 2HA GLY 19 2HA GLY 19 60.295 46.240 64.435 132 H TYR 20 H TYR 20 58.219 48.398 63.534 133 HA TYR 20 HA TYR 20 58.946 50.328 65.647 134 1HB TYR 20 2HB TYR 20 58.690 51.495 63.614 135 2HB TYR 20 1HB TYR 20 57.646 50.188 62.912 136 HD1 TYR 20 HD2 TYR 20 57.574 52.993 65.323 137 HD2 TYR 20 HD1 TYR 20 55.356 50.619 62.570 138 HE1 TYR 20 HE2 TYR 20 55.671 54.519 65.649 139 HE2 TYR 20 HE1 TYR 20 53.416 52.120 62.860 140 HH TYR 20 HH TYR 20 53.206 54.423 65.394 141 H MET 21 H MET 21 56.229 48.276 64.884 142 HA MET 21 HA MET 21 54.450 49.714 66.805 143 1HB MET 21 2HB MET 21 54.373 47.540 64.762 144 2HB MET 21 1HB MET 21 53.723 46.951 66.291 145 1HG MET 21 2HG MET 21 51.769 48.044 65.675 146 2HG MET 21 1HG MET 21 52.583 49.557 66.095 147 1HE MET 21 2HE MET 21 50.353 49.492 64.549 148 2HE MET 21 1HE MET 21 50.439 49.984 62.762 149 3HE MET 21 3HE MET 21 50.356 48.292 63.347 150 H LYS 22 H LYS 22 56.677 47.225 66.709 151 HA LYS 22 HA LYS 22 56.151 46.141 69.366 152 1HB LYS 22 2HB LYS 22 58.463 45.722 67.301 153 2HB LYS 22 1HB LYS 22 58.421 44.931 68.959 154 1HG LYS 22 2HG LYS 22 55.962 44.288 68.358 155 2HG LYS 22 1HG LYS 22 56.596 44.471 66.616 156 1HD LYS 22 2HD LYS 22 57.745 42.758 68.910 157 2HD LYS 22 1HD LYS 22 56.919 42.080 67.441 158 1HE LYS 22 2HE LYS 22 58.763 43.659 66.200 159 2HE LYS 22 1HE LYS 22 59.668 43.347 67.758 160 1HZ LYS 22 2HZ LYS 22 58.663 40.894 66.912 161 2HZ LYS 22 1HZ LYS 22 59.390 41.638 65.594 162 3HZ LYS 22 3HZ LYS 22 60.218 41.369 67.033 163 H ALA 23 H ALA 23 58.034 48.519 67.939 164 HA ALA 23 HA ALA 23 60.067 48.795 69.933 165 1HB ALA 23 2HB ALA 23 59.880 49.901 67.540 166 2HB ALA 23 1HB ALA 23 58.801 51.085 68.326 167 3HB ALA 23 3HB ALA 23 60.538 50.951 68.894 168 H LEU 24 H LEU 24 56.969 50.322 69.589 169 HA LEU 24 HA LEU 24 57.185 51.726 72.232 170 1HB LEU 24 2HB LEU 24 55.256 52.910 71.449 171 2HB LEU 24 1HB LEU 24 56.082 52.476 69.883 172 HG LEU 24 HG LEU 24 54.440 50.202 70.276 173 1HD1 LEU 24 1HD1 LEU 24 53.509 51.868 72.226 174 2HD1 LEU 24 3HD1 LEU 24 52.521 52.387 70.774 175 3HD1 LEU 24 2HD1 LEU 24 52.476 50.691 71.391 176 1HD2 LEU 24 3HD2 LEU 24 54.005 52.749 68.677 177 2HD2 LEU 24 2HD2 LEU 24 54.763 51.194 68.150 178 3HD2 LEU 24 1HD2 LEU 24 53.002 51.232 68.537 179 H ASP 25 H ASP 25 56.348 48.946 70.835 180 HA ASP 25 HA ASP 25 55.298 46.940 71.264 181 1HB ASP 25 2HB ASP 25 55.072 46.909 74.138 182 2HB ASP 25 1HB ASP 25 56.399 46.232 73.080 183 H ILE 26 H ILE 26 53.500 47.022 70.512 184 HA ILE 26 HA ILE 26 51.271 48.277 72.113 185 HB ILE 26 HB ILE 26 51.616 49.411 70.012 186 1HG1 ILE 26 2HG1 ILE 26 49.012 47.804 70.038 187 2HG1 ILE 26 1HG1 ILE 26 49.436 49.416 70.773 188 1HG2 ILE 26 2HG2 ILE 26 52.505 47.207 68.830 189 2HG2 ILE 26 1HG2 ILE 26 50.768 46.848 68.511 190 3HG2 ILE 26 3HG2 ILE 26 51.525 48.371 67.812 191 1HD1 ILE 26 1HD1 ILE 26 49.861 50.376 68.431 192 2HD1 ILE 26 3HD1 ILE 26 49.507 48.756 67.755 193 3HD1 ILE 26 2HD1 ILE 26 48.196 49.714 68.566 194 H ASP 27 H ASP 27 52.204 45.520 70.095 195 HA ASP 27 HA ASP 27 50.874 43.755 71.921 196 1HB ASP 27 2HB ASP 27 48.976 44.940 70.276 197 2HB ASP 27 1HB ASP 27 49.270 43.330 69.428 198 H PHE 28 H PHE 28 53.445 43.815 70.594 199 HA PHE 28 HA PHE 28 54.848 42.589 69.297 200 1HB PHE 28 2HB PHE 28 53.510 40.092 70.495 201 2HB PHE 28 1HB PHE 28 55.234 40.687 70.479 202 HD1 PHE 28 HD1 PHE 28 55.292 43.203 71.777 203 HD2 PHE 28 HD2 PHE 28 52.608 39.873 72.481 204 HE1 PHE 28 HE1 PHE 28 54.851 43.983 74.158 205 HE2 PHE 28 HE2 PHE 28 52.219 40.675 74.782 206 HZ PHE 28 HZ PHE 28 53.350 42.759 75.641 207 H ALA 29 H ALA 29 53.905 43.112 67.329 208 HA ALA 29 HA ALA 29 53.427 42.561 65.089 209 1HB ALA 29 1HB ALA 29 54.373 40.022 66.287 210 2HB ALA 29 3HB ALA 29 52.833 39.636 65.372 211 3HB ALA 29 2HB ALA 29 54.249 40.454 64.562 212 H THR 30 H THR 30 51.972 43.826 66.140 213 HA THR 30 HA THR 30 49.273 42.843 66.688 214 HB THR 30 HB THR 30 50.551 45.557 66.109 215 HG1 THR 30 1HG THR 30 50.481 44.885 68.181 216 1HG2 THR 30 2HG2 THR 30 47.490 44.807 66.429 217 2HG2 THR 30 1HG2 THR 30 48.173 46.501 66.469 218 3HG2 THR 30 3HG2 THR 30 48.244 45.499 64.923 219 H ARG 31 H ARG 31 50.925 44.081 63.895 220 HA ARG 31 HA ARG 31 48.509 43.768 62.243 221 1HB ARG 31 2HB ARG 31 50.971 44.068 60.581 222 2HB ARG 31 1HB ARG 31 49.405 44.951 60.678 223 1HG ARG 31 2HG ARG 31 50.812 46.629 61.448 224 2HG ARG 31 1HG ARG 31 50.442 45.834 63.015 225 1HD ARG 31 2HD ARG 31 52.955 46.261 62.636 226 2HD ARG 31 1HD ARG 31 52.543 44.507 62.883 227 HE ARG 31 HE ARG 31 53.292 44.030 60.855 228 1HH1 ARG 31 1HH1 ARG 31 52.420 47.580 61.016 229 2HH1 ARG 31 2HH1 ARG 31 53.030 47.859 59.371 230 1HH2 ARG 31 2HH2 ARG 31 54.031 44.610 58.718 231 2HH2 ARG 31 1HH2 ARG 31 53.919 46.266 58.061 232 H LYS 32 H LYS 32 51.428 42.306 60.746 233 HA LYS 32 HA LYS 32 51.912 40.130 60.341 234 1HB LYS 32 2HB LYS 32 50.882 39.496 62.618 235 2HB LYS 32 1HB LYS 32 49.301 39.303 61.712 236 1HG LYS 32 2HG LYS 32 49.973 37.541 60.443 237 2HG LYS 32 1HG LYS 32 51.702 37.863 60.533 238 1HD LYS 32 2HD LYS 32 51.900 37.140 62.904 239 2HD LYS 32 1HD LYS 32 50.142 37.139 63.097 240 1HE LYS 32 2HE LYS 32 51.420 35.401 60.893 241 2HE LYS 32 1HE LYS 32 51.143 34.800 62.615 242 1HZ LYS 32 3HZ LYS 32 48.959 36.092 61.262 243 2HZ LYS 32 2HZ LYS 32 49.208 34.456 60.933 244 3HZ LYS 32 1HZ LYS 32 48.924 34.999 62.485 245 H ILE 33 H ILE 33 49.376 42.097 59.491 246 HA ILE 33 HA ILE 33 49.152 40.562 57.014 247 HB ILE 33 HB ILE 33 46.694 40.528 56.943 248 1HG1 ILE 33 2HG1 ILE 33 46.025 42.350 58.465 249 2HG1 ILE 33 1HG1 ILE 33 45.359 40.729 59.012 250 1HG2 ILE 33 2HG2 ILE 33 47.875 39.103 59.408 251 2HG2 ILE 33 1HG2 ILE 33 46.238 38.783 58.791 252 3HG2 ILE 33 3HG2 ILE 33 47.698 38.421 57.750 253 1HD1 ILE 33 3HD1 ILE 33 47.524 40.659 60.558 254 2HD1 ILE 33 2HD1 ILE 33 47.647 42.439 60.180 255 3HD1 ILE 33 1HD1 ILE 33 46.242 41.801 61.076 256 H ALA 34 H ALA 34 50.251 43.031 58.021 257 HA ALA 34 HA ALA 34 48.656 44.890 56.246 258 1HB ALA 34 1HB ALA 34 48.268 45.307 58.879 259 2HB ALA 34 3HB ALA 34 49.946 46.000 58.811 260 3HB ALA 34 2HB ALA 34 48.613 46.658 57.746 261 H VAL 35 H VAL 35 51.076 43.256 56.185 262 HA VAL 35 HA VAL 35 53.555 44.566 56.339 263 HB VAL 35 HB VAL 35 52.324 42.766 54.242 264 1HG1 VAL 35 2HG1 VAL 35 55.083 44.175 54.235 265 2HG1 VAL 35 1HG1 VAL 35 54.873 42.583 53.421 266 3HG1 VAL 35 3HG1 VAL 35 53.866 44.013 52.892 267 1HG2 VAL 35 2HG2 VAL 35 54.227 42.635 56.575 268 2HG2 VAL 35 1HG2 VAL 35 52.971 41.406 56.097 269 3HG2 VAL 35 3HG2 VAL 35 54.545 41.449 55.202 270 H ARG 36 H ARG 36 51.013 44.735 54.166 271 HA ARG 36 HA ARG 36 50.982 47.416 53.402 272 1HB ARG 36 2HB ARG 36 53.169 46.273 51.924 273 2HB ARG 36 1HB ARG 36 51.694 46.245 50.827 274 1HG ARG 36 2HG ARG 36 51.457 48.794 51.918 275 2HG ARG 36 1HG ARG 36 53.235 48.540 52.051 276 1HD ARG 36 2HD ARG 36 51.696 47.736 49.506 277 2HD ARG 36 1HD ARG 36 52.033 49.473 49.766 278 HE ARG 36 HE ARG 36 54.387 47.720 50.215 279 1HH1 ARG 36 1HH2 ARG 36 52.454 49.410 47.673 280 2HH1 ARG 36 2HH2 ARG 36 53.819 49.418 46.524 281 1HH2 ARG 36 2HH1 ARG 36 56.064 47.748 48.764 282 2HH2 ARG 36 1HH1 ARG 36 55.873 48.467 47.171 283 H LEU 37 H LEU 37 49.932 47.879 51.498 284 HA LEU 37 HA LEU 37 47.862 46.033 50.609 285 1HB LEU 37 2HB LEU 37 46.191 48.163 51.492 286 2HB LEU 37 1HB LEU 37 46.487 46.569 52.321 287 HG LEU 37 HG LEU 37 46.684 48.640 53.729 288 1HD1 LEU 37 1HD1 LEU 37 47.719 46.101 53.996 289 2HD1 LEU 37 3HD1 LEU 37 49.174 47.187 54.344 290 3HD1 LEU 37 2HD1 LEU 37 47.612 47.390 55.218 291 1HD2 LEU 37 2HD2 LEU 37 48.770 49.333 51.799 292 2HD2 LEU 37 1HD2 LEU 37 48.295 50.229 53.298 293 3HD2 LEU 37 3HD2 LEU 37 49.543 48.887 53.361 294 H THR 38 H THR 38 47.229 49.514 50.688 295 HA THR 38 HA THR 38 48.387 49.820 47.980 296 HB THR 38 HB THR 38 45.589 50.145 49.157 297 HG1 THR 38 1HG THR 38 45.507 49.039 46.856 298 1HG2 THR 38 1HG2 THR 38 46.772 51.417 46.598 299 2HG2 THR 38 3HG2 THR 38 45.032 50.904 46.618 300 3HG2 THR 38 2HG2 THR 38 45.617 52.192 47.772 301 H GLN 39 H GLN 39 49.605 50.608 50.388 302 HA GLN 39 HA GLN 39 49.067 53.062 51.437 303 1HB GLN 39 2HB GLN 39 50.918 51.307 51.892 304 2HB GLN 39 1HB GLN 39 51.821 52.110 50.482 305 1HG GLN 39 2HG GLN 39 52.436 53.830 51.683 306 2HG GLN 39 1HG GLN 39 50.775 54.006 52.518 307 1HE2 GLN 39 1HE2 GLN 39 51.850 52.796 55.499 308 2HE2 GLN 39 2HE2 GLN 39 50.863 53.901 54.570 309 H THR 40 H THR 40 49.738 55.038 51.250 310 HA THR 40 HA THR 40 51.174 56.297 49.099 311 HB THR 40 HB THR 40 48.121 56.538 49.119 312 HG1 THR 40 1HG THR 40 48.323 55.957 47.052 313 1HG2 THR 40 3HG2 THR 40 50.355 58.492 48.362 314 2HG2 THR 40 2HG2 THR 40 49.093 58.205 47.070 315 3HG2 THR 40 1HG2 THR 40 48.590 58.793 48.686 316 H LYS 41 H LYS 41 52.286 57.622 50.274 317 HA LYS 41 HA LYS 41 50.770 59.034 52.462 318 1HB LYS 41 2HB LYS 41 53.121 58.372 53.160 319 2HB LYS 41 1HB LYS 41 53.736 58.991 51.560 320 1HG LYS 41 2HG LYS 41 52.242 60.891 53.449 321 2HG LYS 41 1HG LYS 41 53.906 60.343 53.930 322 1HD LYS 41 2HD LYS 41 54.440 61.149 51.360 323 2HD LYS 41 1HD LYS 41 52.966 62.142 51.598 324 1HE LYS 41 2HE LYS 41 53.791 63.429 53.275 325 2HE LYS 41 1HE LYS 41 55.033 62.182 53.814 326 1HZ LYS 41 1HZ LYS 41 55.057 63.635 51.196 327 2HZ LYS 41 3HZ LYS 41 55.988 64.075 52.527 328 3HZ LYS 41 2HZ LYS 41 56.225 62.616 51.812 329 H ILE 42 H ILE 42 50.420 61.228 52.502 330 HA ILE 42 HA ILE 42 51.212 62.631 49.922 331 HB ILE 42 HB ILE 42 48.503 63.026 51.490 332 1HG1 ILE 42 2HG1 ILE 42 48.373 62.327 48.703 333 2HG1 ILE 42 1HG1 ILE 42 49.278 60.987 49.581 334 1HG2 ILE 42 2HG2 ILE 42 49.564 64.419 48.964 335 2HG2 ILE 42 1HG2 ILE 42 47.838 64.239 49.425 336 3HG2 ILE 42 3HG2 ILE 42 48.909 65.083 50.536 337 1HD1 ILE 42 2HD1 ILE 42 46.744 62.140 50.752 338 2HD1 ILE 42 1HD1 ILE 42 46.610 60.831 49.522 339 3HD1 ILE 42 3HD1 ILE 42 47.522 60.481 51.006 340 H ILE 43 H ILE 43 51.172 64.927 49.956 341 HA ILE 43 HA ILE 43 51.750 66.146 52.651 342 HB ILE 43 HB ILE 43 53.759 65.239 51.437 343 1HG1 ILE 43 2HG1 ILE 43 53.779 68.323 51.622 344 2HG1 ILE 43 1HG1 ILE 43 53.483 67.274 53.098 345 1HG2 ILE 43 2HG2 ILE 43 53.097 65.922 49.086 346 2HG2 ILE 43 1HG2 ILE 43 53.235 67.703 49.602 347 3HG2 ILE 43 3HG2 ILE 43 54.702 66.609 49.528 348 1HD1 ILE 43 3HD1 ILE 43 55.735 66.457 51.253 349 2HD1 ILE 43 2HD1 ILE 43 56.036 68.009 52.129 350 3HD1 ILE 43 1HD1 ILE 43 55.688 66.430 53.035 351 H VAL 44 H VAL 44 50.792 67.957 52.836 352 HA VAL 44 HA VAL 44 49.569 69.162 50.256 353 HB VAL 44 HB VAL 44 48.827 69.336 53.201 354 1HG1 VAL 44 1HG1 VAL 44 48.614 71.674 51.807 355 2HG1 VAL 44 3HG1 VAL 44 47.254 70.767 50.998 356 3HG1 VAL 44 2HG1 VAL 44 47.265 71.005 52.795 357 1HG2 VAL 44 2HG2 VAL 44 48.043 67.397 51.734 358 2HG2 VAL 44 1HG2 VAL 44 46.695 68.350 52.420 359 3HG2 VAL 44 3HG2 VAL 44 47.128 68.589 50.696 360 H GLN 45 H GLN 45 50.753 70.381 53.464 361 HA GLN 45 HA GLN 45 51.590 72.267 54.119 362 1HB GLN 45 2HB GLN 45 53.732 72.677 53.576 363 2HB GLN 45 1HB GLN 45 53.559 70.944 52.939 364 1HG GLN 45 2HG GLN 45 54.655 72.037 51.127 365 2HG GLN 45 1HG GLN 45 52.837 72.279 50.778 366 1HE2 GLN 45 2HE2 GLN 45 54.845 75.435 50.431 367 2HE2 GLN 45 1HE2 GLN 45 54.846 73.687 49.684 368 H ASP 46 H ASP 46 51.325 74.210 54.362 369 HA ASP 46 HA ASP 46 51.127 75.909 52.015 370 1HB ASP 46 2HB ASP 46 48.930 74.446 52.576 371 2HB ASP 46 1HB ASP 46 48.510 75.869 53.630 372 H GLY 47 H GLY 47 52.508 75.819 54.500 373 1HA GLY 47 1HA GLY 47 53.344 77.953 55.483 374 2HA GLY 47 2HA GLY 47 51.600 78.487 55.687 375 H ASP 48 H ASP 48 50.884 78.490 57.603 376 HA ASP 48 HA ASP 48 52.484 77.088 59.725 377 1HB ASP 48 2HB ASP 48 51.343 79.387 59.932 378 2HB ASP 48 1HB ASP 48 49.703 78.440 59.995 379 H ASN 49 H ASN 49 49.475 76.566 58.071 380 HA ASN 49 HA ASN 49 48.789 74.077 59.649 381 1HB ASN 49 2HB ASN 49 47.101 75.835 57.777 382 2HB ASN 49 1HB ASN 49 46.554 74.247 58.607 383 1HD2 ASN 49 2HD2 ASN 49 45.325 76.636 60.858 384 2HD2 ASN 49 1HD2 ASN 49 44.947 75.525 59.403 385 H PHE 50 H PHE 50 50.228 72.813 58.850 386 HA PHE 50 HA PHE 50 50.407 72.094 55.979 387 1HB PHE 50 2HB PHE 50 52.457 72.652 56.903 388 2HB PHE 50 1HB PHE 50 52.172 71.842 58.478 389 HD1 PHE 50 HD1 PHE 50 52.060 69.272 58.580 390 HD2 PHE 50 HD2 PHE 50 53.145 71.506 55.080 391 HE1 PHE 50 HE1 PHE 50 52.997 67.184 57.546 392 HE2 PHE 50 HE2 PHE 50 54.097 69.445 53.986 393 HZ PHE 50 HZ PHE 50 53.995 67.381 55.232 394 H LYS 51 H LYS 51 49.878 69.955 55.251 395 HA LYS 51 HA LYS 51 49.526 68.095 57.519 396 1HB LYS 51 2HB LYS 51 47.252 68.408 55.471 397 2HB LYS 51 1HB LYS 51 47.155 67.535 57.090 398 1HG LYS 51 2HG LYS 51 46.868 69.622 58.240 399 2HG LYS 51 1HG LYS 51 47.597 70.609 56.913 400 1HD LYS 51 2HD LYS 51 45.793 69.638 55.419 401 2HD LYS 51 1HD LYS 51 44.915 69.155 56.932 402 1HE LYS 51 2HE LYS 51 45.467 71.818 55.650 403 2HE LYS 51 1HE LYS 51 44.062 71.350 56.773 404 1HZ LYS 51 3HZ LYS 51 45.897 71.329 58.547 405 2HZ LYS 51 2HZ LYS 51 46.824 72.263 57.457 406 3HZ LYS 51 1HZ LYS 51 45.375 72.804 58.032 407 H THR 52 H THR 52 50.885 66.643 57.035 408 HA THR 52 HA THR 52 50.911 65.531 54.304 409 HB THR 52 HB THR 52 52.365 65.120 56.910 410 HG1 THR 52 1HG THR 52 53.689 64.372 54.947 411 1HG2 THR 52 2HG2 THR 52 51.684 62.687 54.965 412 2HG2 THR 52 1HG2 THR 52 53.074 62.685 56.112 413 3HG2 THR 52 3HG2 THR 52 51.329 62.741 56.687 414 H LYS 53 H LYS 53 49.948 63.251 53.721 415 HA LYS 53 HA LYS 53 48.253 62.153 55.897 416 1HB LYS 53 2HB LYS 53 46.417 63.523 55.426 417 2HB LYS 53 1HB LYS 53 47.297 64.268 54.045 418 1HG LYS 53 2HG LYS 53 46.601 62.400 52.622 419 2HG LYS 53 1HG LYS 53 45.576 61.721 54.014 420 1HD LYS 53 2HD LYS 53 44.543 64.018 54.162 421 2HD LYS 53 1HD LYS 53 45.394 64.386 52.576 422 1HE LYS 53 2HE LYS 53 43.922 62.932 51.335 423 2HE LYS 53 1HE LYS 53 43.884 61.786 52.778 424 1HZ LYS 53 3HZ LYS 53 42.571 64.428 52.804 425 2HZ LYS 53 2HZ LYS 53 41.761 63.142 52.123 426 3HZ LYS 53 1HZ LYS 53 42.204 63.016 53.695 427 H THR 54 H THR 54 47.847 60.255 55.719 428 HA THR 54 HA THR 54 48.677 58.844 53.222 429 HB THR 54 HB THR 54 49.685 58.354 55.511 430 HG1 THR 54 1HG THR 54 49.210 55.920 54.828 431 1HG2 THR 54 1HG2 THR 54 47.406 58.052 56.685 432 2HG2 THR 54 3HG2 THR 54 47.052 56.576 55.682 433 3HG2 THR 54 2HG2 THR 54 48.437 56.525 56.766 434 H ASN 55 H ASN 55 47.425 57.153 52.390 435 HA ASN 55 HA ASN 55 44.541 57.056 53.247 436 1HB ASN 55 2HB ASN 55 45.063 59.009 51.528 437 2HB ASN 55 1HB ASN 55 45.011 57.575 50.316 438 1HD2 ASN 55 2HD2 ASN 55 41.648 59.225 50.879 439 2HD2 ASN 55 1HD2 ASN 55 43.356 59.781 50.259 440 H SER 56 H SER 56 46.517 55.294 53.451 441 HA SER 56 HA SER 56 46.959 53.181 51.797 442 1HB SER 56 2HB SER 56 46.624 51.661 53.950 443 2HB SER 56 1HB SER 56 47.835 53.051 54.045 444 HG SER 56 HG SER 56 46.290 54.253 55.061 445 H THR 57 H THR 57 44.172 53.960 53.757 446 HA THR 57 HA THR 57 41.881 53.659 53.408 447 HB THR 57 HB THR 57 42.780 53.190 50.863 448 HG1 THR 57 1HG THR 57 40.285 52.331 50.974 449 1HG2 THR 57 3HG2 THR 57 42.986 50.576 51.649 450 2HG2 THR 57 2HG2 THR 57 41.219 50.571 51.600 451 3HG2 THR 57 1HG2 THR 57 42.138 50.991 50.099 452 H PHE 58 H PHE 58 44.210 52.189 54.472 453 HA PHE 58 HA PHE 58 42.794 49.721 55.525 454 1HB PHE 58 2HB PHE 58 45.459 50.029 54.478 455 2HB PHE 58 1HB PHE 58 45.636 50.093 56.305 456 HD1 PHE 58 HD2 PHE 58 44.076 48.229 53.498 457 HD2 PHE 58 HD1 PHE 58 45.772 48.002 57.439 458 HE1 PHE 58 HE2 PHE 58 43.939 45.718 53.425 459 HE2 PHE 58 HE1 PHE 58 45.631 45.489 57.353 460 HZ PHE 58 HZ PHE 58 44.724 44.404 55.369 461 H ARG 59 H ARG 59 45.063 52.262 56.275 462 HA ARG 59 HA ARG 59 43.632 52.953 58.814 463 1HB ARG 59 2HB ARG 59 45.223 50.770 59.164 464 2HB ARG 59 1HB ARG 59 46.479 52.088 59.413 465 1HG ARG 59 2HG ARG 59 44.160 53.061 60.823 466 2HG ARG 59 1HG ARG 59 44.263 51.253 61.137 467 1HD ARG 59 2HD ARG 59 46.550 51.404 61.900 468 2HD ARG 59 1HD ARG 59 46.700 53.093 61.298 469 HE ARG 59 HE ARG 59 44.594 52.910 63.277 470 1HH1 ARG 59 2HH2 ARG 59 48.160 53.064 62.753 471 2HH1 ARG 59 1HH2 ARG 59 48.483 53.804 64.267 472 1HH2 ARG 59 1HH1 ARG 59 45.167 53.954 65.415 473 2HH2 ARG 59 2HH1 ARG 59 46.822 54.294 65.724 474 H ASN 60 H ASN 60 43.492 54.654 57.984 475 HA ASN 60 HA ASN 60 45.992 56.216 57.424 476 1HB ASN 60 2HB ASN 60 43.840 58.076 57.166 477 2HB ASN 60 1HB ASN 60 44.637 57.069 55.801 478 1HD2 ASN 60 2HD2 ASN 60 42.099 54.637 55.632 479 2HD2 ASN 60 1HD2 ASN 60 43.843 54.918 55.593 480 H TYR 61 H TYR 61 46.930 57.451 58.633 481 HA TYR 61 HA TYR 61 45.480 58.626 61.017 482 1HB TYR 61 2HB TYR 61 47.567 56.633 61.032 483 2HB TYR 61 1HB TYR 61 48.273 58.190 61.753 484 HD1 TYR 61 HD1 TYR 61 45.403 55.845 61.849 485 HD2 TYR 61 HD2 TYR 61 47.691 58.866 63.897 486 HE1 TYR 61 HE1 TYR 61 44.136 55.326 63.851 487 HE2 TYR 61 HE2 TYR 61 46.377 58.344 65.973 488 HH TYR 61 HH TYR 61 43.910 55.791 65.976 489 H ASP 62 H ASP 62 45.547 59.765 58.709 490 HA ASP 62 HA ASP 62 47.427 61.356 57.566 491 1HB ASP 62 2HB ASP 62 45.559 63.289 57.801 492 2HB ASP 62 1HB ASP 62 45.234 61.705 56.803 493 H LEU 63 H LEU 63 48.801 62.889 57.807 494 HA LEU 63 HA LEU 63 49.339 63.842 60.567 495 1HB LEU 63 2HB LEU 63 50.984 63.122 58.543 496 2HB LEU 63 1HB LEU 63 50.730 64.843 57.995 497 HG LEU 63 HG LEU 63 51.484 65.654 60.200 498 1HD1 LEU 63 2HD1 LEU 63 51.113 62.806 60.836 499 2HD1 LEU 63 1HD1 LEU 63 52.681 63.441 61.506 500 3HD1 LEU 63 3HD1 LEU 63 51.145 64.245 61.950 501 1HD2 LEU 63 1HD2 LEU 63 53.166 63.915 58.374 502 2HD2 LEU 63 3HD2 LEU 63 53.516 65.579 59.079 503 3HD2 LEU 63 2HD2 LEU 63 53.778 64.034 60.040 504 H ASP 64 H ASP 64 46.941 64.794 60.218 505 HA ASP 64 HA ASP 64 47.155 67.574 59.078 506 1HB ASP 64 2HB ASP 64 45.158 66.395 58.604 507 2HB ASP 64 1HB ASP 64 44.965 65.887 60.417 508 H PHE 65 H PHE 65 48.494 68.699 60.333 509 HA PHE 65 HA PHE 65 47.371 69.541 62.923 510 1HB PHE 65 2HB PHE 65 49.603 69.340 64.123 511 2HB PHE 65 1HB PHE 65 48.783 67.833 63.625 512 HD1 PHE 65 HD2 PHE 65 50.948 70.054 61.323 513 HD2 PHE 65 HD1 PHE 65 50.511 66.360 63.616 514 HE1 PHE 65 HE2 PHE 65 52.933 69.152 60.316 515 HE2 PHE 65 HE1 PHE 65 52.502 65.532 62.581 516 HZ PHE 65 HZ PHE 65 53.781 66.928 60.878 517 H THR 66 H THR 66 49.837 71.138 63.426 518 HA THR 66 HA THR 66 50.121 72.921 61.011 519 HB THR 66 HB THR 66 48.937 74.473 62.237 520 HG1 THR 66 1HG THR 66 50.381 75.591 63.179 521 1HG2 THR 66 1HG2 THR 66 48.177 72.574 63.885 522 2HG2 THR 66 3HG2 THR 66 49.751 72.740 64.740 523 3HG2 THR 66 2HG2 THR 66 48.598 74.124 64.803 524 H VAL 67 H VAL 67 51.903 74.428 61.673 525 HA VAL 67 HA VAL 67 54.242 72.698 62.601 526 HB VAL 67 HB VAL 67 53.603 74.553 60.328 527 1HG1 VAL 67 2HG1 VAL 67 56.197 74.313 61.858 528 2HG1 VAL 67 1HG1 VAL 67 56.373 73.977 60.113 529 3HG1 VAL 67 3HG1 VAL 67 55.711 75.645 60.653 530 1HG2 VAL 67 2HG2 VAL 67 53.747 71.812 60.473 531 2HG2 VAL 67 1HG2 VAL 67 54.118 72.778 59.008 532 3HG2 VAL 67 3HG2 VAL 67 55.504 72.287 60.043 533 H GLY 68 H GLY 68 54.940 73.345 64.521 534 1HA GLY 68 1HA GLY 68 56.118 75.059 65.648 535 2HA GLY 68 2HA GLY 68 55.007 76.356 64.857 536 H VAL 69 H VAL 69 52.777 74.431 65.330 537 HA VAL 69 HA VAL 69 52.284 75.471 68.091 538 HB VAL 69 HB VAL 69 50.765 73.986 65.868 539 1HG1 VAL 69 1HG1 VAL 69 49.940 74.205 68.661 540 2HG1 VAL 69 3HG1 VAL 69 48.713 74.935 67.533 541 3HG1 VAL 69 2HG1 VAL 69 49.201 73.187 67.374 542 1HG2 VAL 69 3HG2 VAL 69 51.226 76.741 66.050 543 2HG2 VAL 69 2HG2 VAL 69 49.760 76.010 65.219 544 3HG2 VAL 69 1HG2 VAL 69 49.647 76.600 66.913 545 H GLU 70 H GLU 70 53.555 74.332 69.172 546 HA GLU 70 HA GLU 70 54.219 71.675 69.357 547 1HB GLU 70 2HB GLU 70 54.685 73.690 70.950 548 2HB GLU 70 1HB GLU 70 53.225 73.004 71.856 549 1HG GLU 70 2HG GLU 70 54.882 70.767 71.187 550 2HG GLU 70 1HG GLU 70 55.913 72.101 72.053 551 H PHE 71 H PHE 71 53.027 70.141 68.792 552 HA PHE 71 HA PHE 71 50.236 69.982 69.648 553 1HB PHE 71 2HB PHE 71 51.658 68.456 67.731 554 2HB PHE 71 1HB PHE 71 51.330 67.230 68.997 555 HD1 PHE 71 HD1 PHE 71 49.515 70.100 67.260 556 HD2 PHE 71 HD2 PHE 71 49.391 66.120 68.781 557 HE1 PHE 71 HE1 PHE 71 47.264 69.837 66.424 558 HE2 PHE 71 HE2 PHE 71 47.107 65.824 67.953 559 HZ PHE 71 HZ PHE 71 45.978 67.724 66.721 560 H ASP 72 H ASP 72 50.267 70.255 71.744 561 HA ASP 72 HA ASP 72 51.689 69.089 73.850 562 1HB ASP 72 2HB ASP 72 48.656 69.735 73.622 563 2HB ASP 72 1HB ASP 72 49.577 69.483 75.202 564 H GLU 73 H GLU 73 52.102 66.737 73.389 565 HA GLU 73 HA GLU 73 51.546 64.469 73.723 566 1HB GLU 73 2HB GLU 73 49.216 65.557 75.391 567 2HB GLU 73 1HB GLU 73 50.308 64.137 75.733 568 1HG GLU 73 2HG GLU 73 52.243 65.853 75.847 569 2HG GLU 73 1HG GLU 73 50.901 67.133 75.951 570 H HIS 74 H HIS 74 49.420 63.270 74.153 571 HA HIS 74 HA HIS 74 47.413 62.459 73.394 572 1HB HIS 74 2HB HIS 74 47.063 64.975 72.436 573 2HB HIS 74 1HB HIS 74 47.433 64.207 70.860 574 HD1 HIS 74 HD1 HIS 74 46.055 61.692 70.600 575 HD2 HIS 74 HD2 HIS 74 44.553 64.871 72.949 576 HE1 HIS 74 HE1 HIS 74 43.423 61.324 70.902 577 HE2 HIS 74 HE2 HIS 74 42.586 63.219 72.297 578 H THR 75 H THR 75 47.666 60.584 72.883 579 HA THR 75 HA THR 75 48.948 59.872 70.290 580 HB THR 75 HB THR 75 50.060 57.967 71.429 581 HG1 THR 75 1HG THR 75 49.201 59.252 73.797 582 1HG2 THR 75 1HG2 THR 75 50.973 60.600 71.533 583 2HG2 THR 75 3HG2 THR 75 50.580 60.475 73.327 584 3HG2 THR 75 2HG2 THR 75 51.776 59.380 72.602 585 H LYS 76 H LYS 76 48.219 57.208 72.473 586 HA LYS 76 HA LYS 76 46.733 55.538 72.314 587 1HB LYS 76 2HB LYS 76 44.636 57.617 71.499 588 2HB LYS 76 1HB LYS 76 44.399 55.993 72.306 589 1HG LYS 76 2HG LYS 76 44.364 57.423 74.164 590 2HG LYS 76 1HG LYS 76 46.137 56.957 74.095 591 1HD LYS 76 2HD LYS 76 46.714 59.147 73.829 592 2HD LYS 76 1HD LYS 76 45.592 59.265 72.388 593 1HE LYS 76 2HE LYS 76 43.773 60.012 73.754 594 2HE LYS 76 1HE LYS 76 44.487 59.280 75.237 595 1HZ LYS 76 1HZ LYS 76 46.384 60.962 74.659 596 2HZ LYS 76 3HZ LYS 76 45.253 61.859 73.917 597 3HZ LYS 76 2HZ LYS 76 45.089 61.538 75.555 598 H GLY 77 H GLY 77 45.252 54.410 71.277 599 1HA GLY 77 1HA GLY 77 44.543 53.103 69.505 600 2HA GLY 77 2HA GLY 77 44.784 54.529 68.369 601 H LEU 78 H LEU 78 47.422 53.761 70.406 602 HA LEU 78 HA LEU 78 48.810 52.130 68.383 603 1HB LEU 78 2HB LEU 78 48.804 54.557 67.625 604 2HB LEU 78 1HB LEU 78 49.738 54.995 69.109 605 HG LEU 78 HG LEU 78 51.305 52.986 68.207 606 1HD1 LEU 78 2HD1 LEU 78 49.404 53.253 66.096 607 2HD1 LEU 78 1HD1 LEU 78 51.071 53.827 65.497 608 3HD1 LEU 78 3HD1 LEU 78 50.817 52.173 66.242 609 1HD2 LEU 78 3HD2 LEU 78 51.678 55.746 68.344 610 2HD2 LEU 78 2HD2 LEU 78 52.837 54.626 67.513 611 3HD2 LEU 78 1HD2 LEU 78 51.604 55.528 66.568 612 H ASP 79 H ASP 79 49.341 54.458 71.089 613 HA ASP 79 HA ASP 79 51.008 52.329 72.388 614 1HB ASP 79 2HB ASP 79 52.330 54.275 71.387 615 2HB ASP 79 1HB ASP 79 51.528 55.398 72.627 616 H GLY 80 H GLY 80 49.678 55.557 73.035 617 1HA GLY 80 1HA GLY 80 47.948 56.205 74.371 618 2HA GLY 80 2HA GLY 80 47.926 54.599 75.250 619 H ARG 81 H ARG 81 49.650 57.603 74.701 620 HA ARG 81 HA ARG 81 50.007 57.893 77.616 621 1HB ARG 81 2HB ARG 81 52.454 58.193 77.662 622 2HB ARG 81 1HB ARG 81 51.961 56.500 77.185 623 1HG ARG 81 2HG ARG 81 52.152 57.697 74.664 624 2HG ARG 81 1HG ARG 81 53.417 58.608 75.581 625 1HD ARG 81 2HD ARG 81 53.027 55.626 75.151 626 2HD ARG 81 1HD ARG 81 54.497 56.620 74.660 627 HE ARG 81 HE ARG 81 54.234 56.695 77.489 628 1HH1 ARG 81 1HH2 ARG 81 54.741 54.260 74.885 629 2HH1 ARG 81 2HH2 ARG 81 55.660 53.145 75.891 630 1HH2 ARG 81 2HH1 ARG 81 55.444 55.222 78.785 631 2HH2 ARG 81 1HH1 ARG 81 56.089 53.713 78.192 632 H ASN 82 H ASN 82 52.487 59.916 76.595 633 HA ASN 82 HA ASN 82 50.905 61.872 75.342 634 1HB ASN 82 2HB ASN 82 51.225 63.440 77.615 635 2HB ASN 82 1HB ASN 82 49.680 62.353 77.459 636 1HD2 ASN 82 2HD2 ASN 82 52.258 62.076 80.422 637 2HD2 ASN 82 1HD2 ASN 82 52.224 63.406 79.289 638 H VAL 83 H VAL 83 52.267 62.833 74.261 639 HA VAL 83 HA VAL 83 55.034 63.467 75.429 640 HB VAL 83 HB VAL 83 54.329 62.360 72.707 641 1HG1 VAL 83 1HG1 VAL 83 56.887 63.495 73.786 642 2HG1 VAL 83 3HG1 VAL 83 57.057 61.993 72.817 643 3HG1 VAL 83 2HG1 VAL 83 56.204 63.505 72.138 644 1HG2 VAL 83 2HG2 VAL 83 55.317 61.185 75.349 645 2HG2 VAL 83 1HG2 VAL 83 54.422 60.319 74.042 646 3HG2 VAL 83 3HG2 VAL 83 56.240 60.630 73.880 647 H LYS 84 H LYS 84 56.219 65.052 74.760 648 HA LYS 84 HA LYS 84 54.935 67.381 73.515 649 1HB LYS 84 2HB LYS 84 57.492 66.906 74.842 650 2HB LYS 84 1HB LYS 84 57.860 67.412 73.144 651 1HG LYS 84 2HG LYS 84 57.615 69.453 74.500 652 2HG LYS 84 1HG LYS 84 56.171 69.226 73.343 653 1HD LYS 84 2HD LYS 84 55.585 69.940 75.700 654 2HD LYS 84 1HD LYS 84 54.717 68.467 75.120 655 1HE LYS 84 2HE LYS 84 55.885 66.994 76.573 656 2HE LYS 84 1HE LYS 84 57.401 67.981 76.500 657 1HZ LYS 84 2HZ LYS 84 54.962 68.834 77.949 658 2HZ LYS 84 1HZ LYS 84 56.222 68.030 78.654 659 3HZ LYS 84 3HZ LYS 84 56.503 69.524 77.987 660 H THR 85 H THR 85 54.137 67.207 71.719 661 HA THR 85 HA THR 85 55.848 66.157 69.405 662 HB THR 85 HB THR 85 52.797 66.060 69.797 663 HG1 THR 85 1HG THR 85 53.745 63.802 69.894 664 1HG2 THR 85 1HG2 THR 85 55.021 64.783 67.935 665 2HG2 THR 85 3HG2 THR 85 53.361 64.136 67.893 666 3HG2 THR 85 2HG2 THR 85 53.731 65.878 67.349 667 H LEU 86 H LEU 86 56.821 67.970 69.525 668 HA LEU 86 HA LEU 86 55.493 70.428 68.567 669 1HB LEU 86 2HB LEU 86 57.545 70.288 70.214 670 2HB LEU 86 1HB LEU 86 58.521 69.806 68.766 671 HG LEU 86 HG LEU 86 57.341 72.101 67.714 672 1HD1 LEU 86 3HD1 LEU 86 57.392 72.188 70.786 673 2HD1 LEU 86 2HD1 LEU 86 57.779 73.689 69.902 674 3HD1 LEU 86 1HD1 LEU 86 56.179 72.892 69.616 675 1HD2 LEU 86 2HD2 LEU 86 59.896 71.208 68.402 676 2HD2 LEU 86 1HD2 LEU 86 59.507 72.936 67.899 677 3HD2 LEU 86 3HD2 LEU 86 59.688 72.483 69.640 678 H VAL 87 H VAL 87 55.941 71.393 66.555 679 HA VAL 87 HA VAL 87 57.336 69.763 64.547 680 HB VAL 87 HB VAL 87 54.548 71.210 64.308 681 1HG1 VAL 87 2HG1 VAL 87 56.061 71.054 62.245 682 2HG1 VAL 87 1HG1 VAL 87 55.762 69.297 62.240 683 3HG1 VAL 87 3HG1 VAL 87 54.350 70.478 62.111 684 1HG2 VAL 87 2HG2 VAL 87 54.782 68.806 65.598 685 2HG2 VAL 87 1HG2 VAL 87 53.518 69.000 64.313 686 3HG2 VAL 87 3HG2 VAL 87 55.030 68.183 63.900 687 H THR 88 H THR 88 58.266 71.057 62.864 688 HA THR 88 HA THR 88 57.872 73.937 62.841 689 HB THR 88 HB THR 88 59.113 73.660 64.969 690 HG1 THR 88 1HG THR 88 60.793 74.994 64.416 691 1HG2 THR 88 2HG2 THR 88 60.282 71.438 63.604 692 2HG2 THR 88 1HG2 THR 88 61.533 72.693 63.411 693 3HG2 THR 88 3HG2 THR 88 61.011 72.115 65.104 694 H TRP 89 H TRP 89 58.323 74.605 60.855 695 HA TRP 89 HA TRP 89 59.504 72.874 58.834 696 1HB TRP 89 2HB TRP 89 58.768 75.900 58.998 697 2HB TRP 89 1HB TRP 89 59.732 75.234 57.604 698 HD1 TRP 89 HD1 TRP 89 56.196 75.647 58.488 699 HE1 TRP 89 HE1 TRP 89 54.885 73.887 57.122 700 HE3 TRP 89 HE3 TRP 89 60.116 72.888 56.959 701 HZ2 TRP 89 HZ2 TRP 89 55.570 71.490 55.588 702 HZ3 TRP 89 HZ3 TRP 89 59.822 70.893 55.601 703 HH2 TRP 89 HH2 TRP 89 57.631 70.259 55.017 704 H GLU 90 H GLU 90 61.789 72.943 58.030 705 HA GLU 90 HA GLU 90 63.247 74.272 60.213 706 1HB GLU 90 2HB GLU 90 63.249 71.857 59.745 707 2HB GLU 90 1HB GLU 90 64.052 72.159 58.127 708 1HG GLU 90 2HG GLU 90 65.318 71.497 60.625 709 2HG GLU 90 1HG GLU 90 66.096 72.391 59.204 710 H GLY 91 H GLY 91 62.343 74.841 57.129 711 1HA GLY 91 1HA GLY 91 63.061 76.940 56.069 712 2HA GLY 91 2HA GLY 91 64.812 76.546 56.436 713 H ASN 92 H ASN 92 63.586 73.736 56.235 714 HA ASN 92 HA ASN 92 62.831 73.154 53.575 715 1HB ASN 92 2HB ASN 92 65.046 71.987 52.857 716 2HB ASN 92 1HB ASN 92 64.985 73.837 52.714 717 1HD2 ASN 92 2HD2 ASN 92 67.273 72.066 55.576 718 2HD2 ASN 92 1HD2 ASN 92 66.003 71.176 54.697 719 H THR 93 H THR 93 61.909 72.282 55.847 720 HA THR 93 HA THR 93 61.468 69.659 55.727 721 HB THR 93 HB THR 93 63.656 68.899 55.858 722 HG1 THR 93 1HG THR 93 62.051 67.764 56.673 723 1HG2 THR 93 3HG2 THR 93 63.633 70.242 58.709 724 2HG2 THR 93 2HG2 THR 93 64.541 68.757 58.399 725 3HG2 THR 93 1HG2 THR 93 65.043 70.294 57.525 726 H LEU 94 H LEU 94 60.023 69.024 56.868 727 HA LEU 94 HA LEU 94 58.441 70.688 58.465 728 1HB LEU 94 2HB LEU 94 57.431 69.013 57.122 729 2HB LEU 94 1HB LEU 94 58.359 67.697 57.934 730 HG LEU 94 HG LEU 94 57.212 68.640 60.104 731 1HD1 LEU 94 2HD1 LEU 94 55.459 69.806 57.916 732 2HD1 LEU 94 1HD1 LEU 94 54.662 69.029 59.359 733 3HD1 LEU 94 3HD1 LEU 94 55.860 70.423 59.574 734 1HD2 LEU 94 2HD2 LEU 94 56.411 66.637 58.071 735 2HD2 LEU 94 1HD2 LEU 94 56.647 66.512 59.864 736 3HD2 LEU 94 3HD2 LEU 94 55.075 67.135 59.257 737 H VAL 95 H VAL 95 60.728 68.341 59.536 738 HA VAL 95 HA VAL 95 61.271 67.396 61.497 739 HB VAL 95 HB VAL 95 61.296 70.406 62.276 740 1HG1 VAL 95 3HG1 VAL 95 62.968 67.974 63.023 741 2HG1 VAL 95 2HG1 VAL 95 63.458 69.636 63.587 742 3HG1 VAL 95 1HG1 VAL 95 61.922 68.830 64.147 743 1HG2 VAL 95 1HG2 VAL 95 62.278 69.884 59.997 744 2HG2 VAL 95 3HG2 VAL 95 63.521 70.605 61.197 745 3HG2 VAL 95 2HG2 VAL 95 63.540 68.843 60.785 746 H CYS 96 H CYS 96 60.220 66.426 63.225 747 HA CYS 96 HA CYS 96 58.938 68.224 65.127 748 1HB CYS 96 2HB CYS 96 56.815 67.521 64.399 749 2HB CYS 96 1HB CYS 96 57.407 66.113 63.503 750 HG CYS 96 HG CYS 96 57.575 64.410 65.284 751 H VAL 97 H VAL 97 59.200 67.573 67.149 752 HA VAL 97 HA VAL 97 60.970 65.186 67.517 753 HB VAL 97 HB VAL 97 60.985 67.742 69.151 754 1HG1 VAL 97 3HG1 VAL 97 61.936 65.417 69.904 755 2HG1 VAL 97 2HG1 VAL 97 63.211 65.588 68.677 756 3HG1 VAL 97 1HG1 VAL 97 63.111 66.827 70.043 757 1HG2 VAL 97 3HG2 VAL 97 61.733 67.643 66.461 758 2HG2 VAL 97 2HG2 VAL 97 62.579 68.682 67.734 759 3HG2 VAL 97 1HG2 VAL 97 63.211 67.038 67.230 760 H GLN 98 H GLN 98 59.576 63.714 68.233 761 HA GLN 98 HA GLN 98 57.671 64.065 70.456 762 1HB GLN 98 2HB GLN 98 59.201 61.728 69.225 763 2HB GLN 98 1HB GLN 98 58.153 61.500 70.710 764 1HG GLN 98 2HG GLN 98 56.823 63.097 68.554 765 2HG GLN 98 1HG GLN 98 57.216 61.399 68.023 766 1HE2 GLN 98 1HE2 GLN 98 53.899 61.229 69.261 767 2HE2 GLN 98 2HE2 GLN 98 54.871 61.850 67.922 768 H LYS 99 H LYS 99 58.625 65.298 71.909 769 HA LYS 99 HA LYS 99 61.243 64.277 73.011 770 1HB LYS 99 2HB LYS 99 60.215 66.824 72.784 771 2HB LYS 99 1HB LYS 99 59.628 66.437 74.406 772 1HG LYS 99 2HG LYS 99 61.957 66.020 75.161 773 2HG LYS 99 1HG LYS 99 62.609 66.159 73.476 774 1HD LYS 99 2HD LYS 99 61.324 68.646 73.886 775 2HD LYS 99 1HD LYS 99 61.809 68.188 75.597 776 1HE LYS 99 2HE LYS 99 63.802 69.192 74.869 777 2HE LYS 99 1HE LYS 99 64.079 67.485 74.277 778 1HZ LYS 99 2HZ LYS 99 62.719 69.567 72.613 779 2HZ LYS 99 1HZ LYS 99 64.373 69.457 72.653 780 3HZ LYS 99 3HZ LYS 99 63.500 68.144 72.132 781 H GLY 100 H GLY 100 58.114 65.185 74.432 782 1HA GLY 100 1HA GLY 100 58.656 64.235 77.033 783 2HA GLY 100 2HA GLY 100 56.956 64.346 76.430 784 H GLU 101 H GLU 101 58.229 62.742 78.222 785 HA GLU 101 HA GLU 101 58.151 60.565 79.012 786 1HB GLU 101 2HB GLU 101 56.158 60.694 77.081 787 2HB GLU 101 1HB GLU 101 57.297 59.576 76.233 788 1HG GLU 101 2HG GLU 101 56.370 57.850 77.526 789 2HG GLU 101 1HG GLU 101 57.163 58.681 78.984 790 H LYS 102 H LYS 102 59.067 58.471 78.609 791 HA LYS 102 HA LYS 102 61.817 58.358 78.098 792 1HB LYS 102 2HB LYS 102 60.781 56.441 79.188 793 2HB LYS 102 1HB LYS 102 59.660 56.184 77.788 794 1HG LYS 102 2HG LYS 102 62.599 56.189 77.034 795 2HG LYS 102 1HG LYS 102 61.942 54.794 78.012 796 1HD LYS 102 2HD LYS 102 60.001 55.408 76.022 797 2HD LYS 102 1HD LYS 102 61.653 55.329 75.227 798 1HE LYS 102 2HE LYS 102 60.628 53.107 77.136 799 2HE LYS 102 1HE LYS 102 60.377 53.166 75.313 800 1HZ LYS 102 1HZ LYS 102 63.064 53.650 75.870 801 2HZ LYS 102 3HZ LYS 102 62.593 52.283 76.761 802 3HZ LYS 102 2HZ LYS 102 62.367 52.348 75.127 803 H GLU 103 H GLU 103 59.184 57.501 75.970 804 HA GLU 103 HA GLU 103 60.344 56.445 73.759 805 1HB GLU 103 2HB GLU 103 58.220 58.699 73.680 806 2HB GLU 103 1HB GLU 103 58.604 57.433 72.411 807 1HG GLU 103 2HG GLU 103 58.076 56.205 74.988 808 2HG GLU 103 1HG GLU 103 56.593 57.078 74.224 809 H ASN 104 H ASN 104 60.988 56.857 71.937 810 HA ASN 104 HA ASN 104 62.006 59.544 71.299 811 1HB ASN 104 2HB ASN 104 63.180 56.729 70.940 812 2HB ASN 104 1HB ASN 104 63.897 58.125 70.026 813 1HD2 ASN 104 2HD2 ASN 104 66.017 58.687 72.784 814 2HD2 ASN 104 1HD2 ASN 104 65.701 58.486 70.901 815 H ARG 105 H ARG 105 59.729 59.562 70.465 816 HA ARG 105 HA ARG 105 59.183 57.726 68.294 817 1HB ARG 105 2HB ARG 105 57.409 59.656 69.861 818 2HB ARG 105 1HB ARG 105 56.975 59.232 68.187 819 1HG ARG 105 2HG ARG 105 57.662 57.098 70.291 820 2HG ARG 105 1HG ARG 105 55.983 57.688 69.801 821 1HD ARG 105 2HD ARG 105 57.979 56.302 67.917 822 2HD ARG 105 1HD ARG 105 56.441 55.645 68.567 823 HE ARG 105 HE ARG 105 56.790 57.575 66.376 824 1HH1 ARG 105 1HH1 ARG 105 54.634 56.431 68.924 825 2HH1 ARG 105 2HH1 ARG 105 53.121 56.974 68.110 826 1HH2 ARG 105 2HH2 ARG 105 54.754 58.286 65.326 827 2HH2 ARG 105 1HH2 ARG 105 53.184 58.037 66.051 828 H GLY 106 H GLY 106 60.929 60.244 68.627 829 1HA GLY 106 1HA GLY 106 60.501 62.395 66.955 830 2HA GLY 106 2HA GLY 106 61.980 61.388 66.879 831 H TRP 107 H TRP 107 59.017 62.200 65.506 832 HA TRP 107 HA TRP 107 59.691 60.808 62.997 833 1HB TRP 107 2HB TRP 107 57.534 60.109 62.646 834 2HB TRP 107 1HB TRP 107 57.142 60.722 64.315 835 HD1 TRP 107 HD1 TRP 107 57.600 62.093 60.565 836 HE1 TRP 107 HE1 TRP 107 56.082 64.171 60.268 837 HE3 TRP 107 HE3 TRP 107 55.921 62.236 65.258 838 HZ2 TRP 107 HZ2 TRP 107 54.555 65.518 61.867 839 HZ3 TRP 107 HZ3 TRP 107 54.314 64.045 65.885 840 HH2 TRP 107 HH2 TRP 107 53.681 65.626 64.179 841 H LYS 108 H LYS 108 60.130 61.781 61.335 842 HA LYS 108 HA LYS 108 59.302 64.517 60.835 843 1HB LYS 108 2HB LYS 108 61.949 65.103 60.575 844 2HB LYS 108 1HB LYS 108 61.240 65.192 62.241 845 1HG LYS 108 2HG LYS 108 62.155 62.472 61.349 846 2HG LYS 108 1HG LYS 108 63.480 63.726 61.647 847 1HD LYS 108 2HD LYS 108 61.369 62.899 63.783 848 2HD LYS 108 1HD LYS 108 63.042 62.304 63.680 849 1HE LYS 108 2HE LYS 108 63.904 64.590 64.008 850 2HE LYS 108 1HE LYS 108 62.206 65.291 63.928 851 1HZ LYS 108 3HZ LYS 108 61.660 63.844 65.844 852 2HZ LYS 108 2HZ LYS 108 63.279 63.472 65.953 853 3HZ LYS 108 1HZ LYS 108 62.800 65.049 66.144 854 H GLN 109 H GLN 109 60.794 65.545 59.019 855 HA GLN 109 HA GLN 109 61.297 63.308 56.947 856 1HB GLN 109 2HB GLN 109 60.474 65.956 55.916 857 2HB GLN 109 1HB GLN 109 59.669 64.351 55.516 858 1HG GLN 109 2HG GLN 109 59.111 65.992 58.085 859 2HG GLN 109 1HG GLN 109 58.197 66.075 56.477 860 1HE2 GLN 109 1HE2 GLN 109 57.281 63.290 59.114 861 2HE2 GLN 109 2HE2 GLN 109 58.170 64.901 59.402 862 H TRP 110 H TRP 110 62.279 64.560 54.924 863 HA TRP 110 HA TRP 110 63.636 66.974 55.223 864 1HB TRP 110 2HB TRP 110 65.964 66.104 55.664 865 2HB TRP 110 1HB TRP 110 64.819 66.429 57.021 866 HD1 TRP 110 HD1 TRP 110 65.279 63.104 54.842 867 HE1 TRP 110 HE1 TRP 110 65.503 61.187 56.581 868 HE3 TRP 110 HE3 TRP 110 65.063 65.905 58.855 869 HZ2 TRP 110 HZ2 TRP 110 65.571 61.067 59.370 870 HZ3 TRP 110 HZ3 TRP 110 65.232 64.957 61.113 871 HH2 TRP 110 HH2 TRP 110 65.477 62.541 61.339 872 H VAL 111 H VAL 111 63.212 67.186 53.178 873 HA VAL 111 HA VAL 111 63.422 65.893 50.807 874 HB VAL 111 HB VAL 111 64.840 68.490 51.641 875 1HG1 VAL 111 1HG1 VAL 111 65.585 67.794 49.346 876 2HG1 VAL 111 3HG1 VAL 111 63.858 67.680 48.809 877 3HG1 VAL 111 2HG1 VAL 111 64.512 69.269 49.315 878 1HG2 VAL 111 1HG2 VAL 111 61.960 67.707 51.182 879 2HG2 VAL 111 3HG2 VAL 111 62.679 69.137 52.094 880 3HG2 VAL 111 2HG2 VAL 111 62.452 69.170 50.288 881 H GLU 112 H GLU 112 64.752 64.127 50.564 882 HA GLU 112 HA GLU 112 67.632 64.644 50.771 883 1HB GLU 112 2HB GLU 112 65.936 62.567 51.497 884 2HB GLU 112 1HB GLU 112 66.953 61.896 50.154 885 1HG GLU 112 2HG GLU 112 68.147 63.596 52.457 886 2HG GLU 112 1HG GLU 112 67.905 61.757 52.660 887 H GLY 113 H GLY 113 65.467 64.953 48.373 888 1HA GLY 113 1HA GLY 113 67.067 65.213 46.142 889 2HA GLY 113 2HA GLY 113 66.900 63.410 46.175 890 H ASP 114 H ASP 114 65.232 62.420 45.796 891 HA ASP 114 HA ASP 114 62.959 63.860 44.419 892 1HB ASP 114 2HB ASP 114 64.442 61.225 43.619 893 2HB ASP 114 1HB ASP 114 62.929 61.917 42.779 894 H LYS 115 H LYS 115 63.173 62.874 47.174 895 HA LYS 115 HA LYS 115 60.449 61.943 47.437 896 1HB LYS 115 2HB LYS 115 60.779 59.679 48.148 897 2HB LYS 115 1HB LYS 115 61.508 59.894 46.482 898 1HG LYS 115 2HG LYS 115 63.668 60.619 48.009 899 2HG LYS 115 1HG LYS 115 62.890 59.392 49.088 900 1HD LYS 115 2HD LYS 115 63.624 57.672 47.629 901 2HD LYS 115 1HD LYS 115 62.881 58.543 46.211 902 1HE LYS 115 2HE LYS 115 64.838 59.828 45.830 903 2HE LYS 115 1HE LYS 115 65.484 59.485 47.472 904 1HZ LYS 115 3HZ LYS 115 64.988 57.110 45.807 905 2HZ LYS 115 2HZ LYS 115 66.165 58.083 45.215 906 3HZ LYS 115 1HZ LYS 115 66.277 57.508 46.815 907 H LEU 116 H LEU 116 59.757 61.729 49.459 908 HA LEU 116 HA LEU 116 61.596 63.269 51.256 909 1HB LEU 116 2HB LEU 116 58.707 62.982 50.844 910 2HB LEU 116 1HB LEU 116 59.149 63.112 52.603 911 HG LEU 116 HG LEU 116 60.435 64.932 50.533 912 1HD1 LEU 116 1HD1 LEU 116 57.650 64.826 50.649 913 2HD1 LEU 116 3HD1 LEU 116 57.880 65.796 52.099 914 3HD1 LEU 116 2HD1 LEU 116 58.492 66.428 50.512 915 1HD2 LEU 116 1HD2 LEU 116 60.122 64.719 53.496 916 2HD2 LEU 116 3HD2 LEU 116 61.533 65.317 52.577 917 3HD2 LEU 116 2HD2 LEU 116 60.162 66.456 52.878 918 H TYR 117 H TYR 117 62.867 62.311 52.550 919 HA TYR 117 HA TYR 117 62.192 59.590 53.309 920 1HB TYR 117 2HB TYR 117 64.325 61.643 53.982 921 2HB TYR 117 1HB TYR 117 64.263 60.136 54.984 922 HD1 TYR 117 HD1 TYR 117 64.251 61.367 51.319 923 HD2 TYR 117 HD2 TYR 117 65.528 58.212 53.970 924 HE1 TYR 117 HE1 TYR 117 65.448 60.267 49.503 925 HE2 TYR 117 HE2 TYR 117 66.700 57.141 52.134 926 HH TYR 117 HH TYR 117 67.208 58.736 49.110 927 H LEU 118 H LEU 118 60.510 59.325 54.324 928 HA LEU 118 HA LEU 118 59.889 60.836 56.838 929 1HB LEU 118 2HB LEU 118 58.335 59.528 54.873 930 2HB LEU 118 1HB LEU 118 58.302 58.313 56.255 931 HG LEU 118 HG LEU 118 57.266 61.181 56.282 932 1HD1 LEU 118 2HD1 LEU 118 56.151 58.522 56.000 933 2HD1 LEU 118 1HD1 LEU 118 55.811 59.045 57.664 934 3HD1 LEU 118 3HD1 LEU 118 55.245 60.080 56.323 935 1HD2 LEU 118 2HD2 LEU 118 58.278 59.335 58.540 936 2HD2 LEU 118 1HD2 LEU 118 58.543 61.139 58.380 937 3HD2 LEU 118 3HD2 LEU 118 56.930 60.533 58.815 938 H GLU 119 H GLU 119 61.785 60.470 57.821 939 HA GLU 119 HA GLU 119 62.286 57.730 58.911 940 1HB GLU 119 2HB GLU 119 63.863 60.364 58.734 941 2HB GLU 119 1HB GLU 119 64.147 59.162 60.059 942 1HG GLU 119 2HG GLU 119 64.019 57.361 58.081 943 2HG GLU 119 1HG GLU 119 64.472 58.779 57.065 944 H LEU 120 H LEU 120 61.538 57.065 60.720 945 HA LEU 120 HA LEU 120 61.013 59.205 62.762 946 1HB LEU 120 2HB LEU 120 58.843 58.734 63.133 947 2HB LEU 120 1HB LEU 120 58.982 58.348 61.368 948 HG LEU 120 HG LEU 120 59.653 55.904 62.680 949 1HD1 LEU 120 2HD1 LEU 120 58.274 57.045 64.613 950 2HD1 LEU 120 1HD1 LEU 120 56.817 56.851 63.475 951 3HD1 LEU 120 3HD1 LEU 120 57.703 55.407 64.089 952 1HD2 LEU 120 2HD2 LEU 120 57.058 56.737 61.226 953 2HD2 LEU 120 1HD2 LEU 120 58.551 56.053 60.482 954 3HD2 LEU 120 3HD2 LEU 120 57.582 55.057 61.644 955 H THR 121 H THR 121 61.112 58.512 64.874 956 HA THR 121 HA THR 121 62.718 56.010 65.260 957 HB THR 121 HB THR 121 62.371 58.443 67.142 958 HG1 THR 121 1HG THR 121 63.162 59.426 65.609 959 1HG2 THR 121 1HG2 THR 121 64.243 56.021 66.961 960 2HG2 THR 121 3HG2 THR 121 65.091 57.599 67.327 961 3HG2 THR 121 2HG2 THR 121 63.797 56.977 68.405 962 H CYS 122 H CYS 122 62.257 55.005 67.569 963 HA CYS 122 HA CYS 122 59.608 55.641 68.618 964 1HB CYS 122 2HB CYS 122 58.927 53.036 67.960 965 2HB CYS 122 1HB CYS 122 58.476 54.440 66.991 966 HG CYS 122 HG CYS 122 59.490 52.194 65.608 967 H GLY 123 H GLY 123 61.956 55.574 69.675 968 1HA GLY 123 1HA GLY 123 62.765 55.027 71.819 969 2HA GLY 123 2HA GLY 123 61.359 53.892 71.976 970 H ASP 124 H ASP 124 64.327 54.455 70.256 971 HA ASP 124 HA ASP 124 66.351 53.189 70.256 972 1HB ASP 124 2HB ASP 124 64.516 50.713 70.397 973 2HB ASP 124 1HB ASP 124 66.350 50.714 70.275 974 H GLN 125 H GLN 125 63.462 51.820 68.863 975 HA GLN 125 HA GLN 125 64.850 51.087 66.375 976 1HB GLN 125 2HB GLN 125 61.873 51.387 67.020 977 2HB GLN 125 1HB GLN 125 62.503 50.727 65.450 978 1HG GLN 125 2HG GLN 125 63.664 49.370 67.851 979 2HG GLN 125 1HG GLN 125 61.858 49.325 67.749 980 1HE2 GLN 125 1HE2 GLN 125 64.207 47.615 64.818 981 2HE2 GLN 125 2HE2 GLN 125 64.846 48.818 66.125 982 H VAL 126 H VAL 126 64.887 52.018 64.602 983 HA VAL 126 HA VAL 126 63.973 54.869 64.257 984 HB VAL 126 HB VAL 126 66.659 53.511 63.468 985 1HG1 VAL 126 3HG1 VAL 126 65.481 55.314 61.722 986 2HG1 VAL 126 2HG1 VAL 126 66.016 56.508 63.005 987 3HG1 VAL 126 1HG1 VAL 126 67.211 55.419 62.204 988 1HG2 VAL 126 1HG2 VAL 126 66.236 54.320 65.817 989 2HG2 VAL 126 3HG2 VAL 126 67.505 55.333 65.005 990 3HG2 VAL 126 2HG2 VAL 126 65.785 55.920 65.223 991 H CYS 127 H CYS 127 62.127 54.177 63.149 992 HA CYS 127 HA CYS 127 62.117 52.388 60.834 993 1HB CYS 127 2HB CYS 127 60.114 53.778 62.260 994 2HB CYS 127 1HB CYS 127 60.371 54.972 61.000 995 HG CYS 127 HG CYS 127 60.150 53.197 58.948 996 H ARG 128 H ARG 128 62.340 52.642 58.760 997 HA ARG 128 HA ARG 128 63.584 55.309 57.964 998 1HB ARG 128 2HB ARG 128 65.375 53.654 58.228 999 2HB ARG 128 1HB ARG 128 64.445 52.463 57.199 1000 1HG ARG 128 2HG ARG 128 65.083 53.431 55.229 1001 2HG ARG 128 1HG ARG 128 64.801 55.081 55.869 1002 1HD ARG 128 2HD ARG 128 67.146 54.923 55.389 1003 2HD ARG 128 1HD ARG 128 66.909 54.876 57.234 1004 HE ARG 128 HE ARG 128 67.082 52.240 56.554 1005 1HH1 ARG 128 2HH1 ARG 128 69.291 54.940 55.696 1006 2HH1 ARG 128 1HH1 ARG 128 70.678 53.849 55.613 1007 1HH2 ARG 128 2HH2 ARG 128 68.934 50.950 56.418 1008 2HH2 ARG 128 1HH2 ARG 128 70.462 51.650 56.012 1009 H GLN 129 H GLN 129 62.905 56.196 56.160 1010 HA GLN 129 HA GLN 129 61.226 54.369 54.421 1011 1HB GLN 129 2HB GLN 129 60.474 57.275 55.170 1012 2HB GLN 129 1HB GLN 129 59.599 56.217 53.964 1013 1HG GLN 129 2HG GLN 129 60.157 55.117 56.699 1014 2HG GLN 129 1HG GLN 129 58.654 56.203 56.465 1015 1HE2 GLN 129 2HE2 GLN 129 58.489 52.321 55.681 1016 2HE2 GLN 129 1HE2 GLN 129 59.513 53.166 56.844 1017 H VAL 130 H VAL 130 61.404 54.379 52.333 1018 HA VAL 130 HA VAL 130 63.218 56.510 51.280 1019 HB VAL 130 HB VAL 130 63.276 53.428 50.585 1020 1HG1 VAL 130 1HG1 VAL 130 64.022 55.927 49.037 1021 2HG1 VAL 130 3HG1 VAL 130 65.294 54.682 49.113 1022 3HG1 VAL 130 2HG1 VAL 130 63.603 54.301 48.418 1023 1HG2 VAL 130 2HG2 VAL 130 65.160 55.272 52.013 1024 2HG2 VAL 130 1HG2 VAL 130 64.794 53.500 52.223 1025 3HG2 VAL 130 3HG2 VAL 130 65.868 54.121 50.872 1026 H PHE 131 H PHE 131 61.372 57.417 51.155 1027 HA PHE 131 HA PHE 131 59.008 56.673 49.763 1028 1HB PHE 131 2HB PHE 131 60.527 59.197 50.445 1029 2HB PHE 131 1HB PHE 131 59.195 59.358 49.214 1030 HD1 PHE 131 HD2 PHE 131 59.417 56.932 52.035 1031 HD2 PHE 131 HD1 PHE 131 57.473 60.520 50.537 1032 HE1 PHE 131 HE2 PHE 131 57.758 56.917 53.798 1033 HE2 PHE 131 HE1 PHE 131 55.824 60.397 52.405 1034 HZ PHE 131 HZ PHE 131 55.989 58.591 54.018 1035 H LYS 132 H LYS 132 58.306 58.211 47.888 1036 HA LYS 132 HA LYS 132 60.312 58.470 45.773 1037 1HB LYS 132 2HB LYS 132 59.952 56.058 45.346 1038 2HB LYS 132 1HB LYS 132 58.265 56.151 45.967 1039 1HG LYS 132 2HG LYS 132 58.400 55.744 43.525 1040 2HG LYS 132 1HG LYS 132 57.547 57.332 43.766 1041 1HD LYS 132 2HD LYS 132 59.654 58.564 43.426 1042 2HD LYS 132 1HD LYS 132 60.437 56.929 42.959 1043 1HE LYS 132 2HE LYS 132 58.103 57.107 41.393 1044 2HE LYS 132 1HE LYS 132 58.761 58.819 41.415 1045 1HZ LYS 132 3HZ LYS 132 60.387 56.381 40.829 1046 2HZ LYS 132 2HZ LYS 132 59.588 57.328 39.704 1047 3HZ LYS 132 1HZ LYS 132 60.846 57.950 40.639 1048 H LYS 133 H LYS 133 59.613 60.415 45.315 1049 HA LYS 133 HA LYS 133 56.861 61.414 45.661 1050 1HB LYS 133 2HB LYS 133 58.000 63.275 45.043 1051 2HB LYS 133 1HB LYS 133 59.285 62.212 44.294 1052 1HG LYS 133 2HG LYS 133 57.754 62.070 42.232 1053 2HG LYS 133 1HG LYS 133 56.575 63.173 43.105 1054 1HD LYS 133 2HD LYS 133 57.829 64.480 41.531 1055 2HD LYS 133 1HD LYS 133 58.526 64.801 43.206 1056 1HE LYS 133 2HE LYS 133 59.900 62.520 42.444 1057 2HE LYS 133 1HE LYS 133 59.669 63.408 40.832 1058 1HZ LYS 133 1HZ LYS 133 60.427 65.238 42.810 1059 2HZ LYS 133 3HZ LYS 133 61.545 64.007 42.868 1060 3HZ LYS 133 2HZ LYS 133 61.233 64.819 41.440 1061 H LYS 134 H LYS 134 55.091 60.853 44.764 1062 HA LYS 134 HA LYS 134 54.456 58.665 43.315 1063 1HB LYS 134 2HB LYS 134 52.496 59.865 42.248 1064 2HB LYS 134 1HB LYS 134 52.737 60.364 43.971 1065 1HG LYS 134 2HG LYS 134 54.172 62.348 42.923 1066 2HG LYS 134 1HG LYS 134 53.218 61.964 41.392 1067 1HD LYS 134 2HD LYS 134 51.143 62.138 42.806 1068 2HD LYS 134 1HD LYS 134 52.206 62.663 44.228 1069 1HE LYS 134 2HE LYS 134 52.513 64.668 43.586 1070 2HE LYS 134 1HE LYS 134 52.910 64.157 41.819 1071 1HZ LYS 134 2HZ LYS 134 50.099 64.206 42.731 1072 2HZ LYS 134 1HZ LYS 134 50.891 65.636 42.326 1073 3HZ LYS 134 3HZ LYS 134 50.706 64.373 41.237 No H/Q in entry = 1073 Start of MODEL 18 1 1H MET 1 2H MET 1 58.200 78.218 46.064 2 2H MET 1 1H MET 1 56.829 77.353 46.489 3 3H MET 1 3H MET 1 56.799 78.956 46.724 4 HA MET 1 HA MET 1 58.425 78.986 48.473 5 1HB MET 1 2HB MET 1 56.213 76.854 48.470 6 2HB MET 1 1HB MET 1 57.375 76.881 49.868 7 1HG MET 1 2HG MET 1 56.345 79.562 49.015 8 2HG MET 1 1HG MET 1 55.071 78.541 49.649 9 1HE MET 1 2HE MET 1 55.110 80.867 50.950 10 2HE MET 1 1HE MET 1 55.767 80.738 52.657 11 3HE MET 1 3HE MET 1 56.679 81.462 51.239 12 H THR 2 H THR 2 60.023 78.126 49.546 13 HA THR 2 HA THR 2 61.649 76.191 48.016 14 HB THR 2 HB THR 2 61.993 76.864 50.994 15 HG1 THR 2 1HG THR 2 63.130 78.398 48.953 16 1HG2 THR 2 3HG2 THR 2 63.573 75.703 48.611 17 2HG2 THR 2 2HG2 THR 2 64.567 76.818 49.623 18 3HG2 THR 2 1HG2 THR 2 63.843 75.369 50.359 19 H LYS 3 H LYS 3 59.835 76.084 51.070 20 HA LYS 3 HA LYS 3 60.558 73.164 51.131 21 1HB LYS 3 2HB LYS 3 59.422 73.064 53.391 22 2HB LYS 3 1HB LYS 3 60.866 74.136 53.247 23 1HG LYS 3 2HG LYS 3 58.134 75.375 52.665 24 2HG LYS 3 1HG LYS 3 58.483 74.902 54.365 25 1HD LYS 3 2HD LYS 3 60.790 76.281 53.033 26 2HD LYS 3 1HD LYS 3 59.246 77.256 53.056 27 1HE LYS 3 2HE LYS 3 59.367 76.178 55.651 28 2HE LYS 3 1HE LYS 3 61.102 76.660 55.240 29 1HZ LYS 3 3HZ LYS 3 60.105 78.814 54.456 30 2HZ LYS 3 2HZ LYS 3 58.617 78.287 55.132 31 3HZ LYS 3 1HZ LYS 3 59.880 78.631 56.080 32 H ASP 4 H ASP 4 57.734 74.962 49.981 33 HA ASP 4 HA ASP 4 55.932 72.720 50.641 34 1HB ASP 4 2HB ASP 4 55.638 75.045 48.563 35 2HB ASP 4 1HB ASP 4 54.367 73.809 49.051 36 H GLN 5 H GLN 5 55.570 70.812 49.372 37 HA GLN 5 HA GLN 5 56.412 70.935 46.550 38 1HB GLN 5 2HB GLN 5 58.522 70.544 48.090 39 2HB GLN 5 1HB GLN 5 57.741 68.937 48.538 40 1HG GLN 5 2HG GLN 5 59.069 68.328 46.780 41 2HG GLN 5 1HG GLN 5 57.482 68.777 45.864 42 1HE2 GLN 5 1HE2 GLN 5 60.585 71.526 45.901 43 2HE2 GLN 5 2HE2 GLN 5 60.242 70.417 47.253 44 H ASN 6 H ASN 6 54.195 70.888 46.949 45 HA ASN 6 HA ASN 6 52.602 68.823 47.886 46 1HB ASN 6 2HB ASN 6 52.162 70.268 45.136 47 2HB ASN 6 1HB ASN 6 50.898 69.357 46.121 48 1HD2 ASN 6 2HD2 ASN 6 50.160 72.016 48.202 49 2HD2 ASN 6 1HD2 ASN 6 49.782 70.293 47.528 50 H GLY 7 H GLY 7 51.609 66.990 47.105 51 1HA GLY 7 1HA GLY 7 51.903 65.665 44.614 52 2HA GLY 7 2HA GLY 7 53.501 65.499 45.411 53 H THR 8 H THR 8 52.765 63.393 44.884 54 HA THR 8 HA THR 8 51.600 62.098 47.316 55 HB THR 8 HB THR 8 50.158 61.917 44.880 56 HG1 THR 8 1HG THR 8 49.223 60.406 46.079 57 1HG2 THR 8 2HG2 THR 8 52.428 60.808 43.983 58 2HG2 THR 8 1HG2 THR 8 52.082 59.445 45.173 59 3HG2 THR 8 3HG2 THR 8 51.005 59.763 43.784 60 H TRP 9 H TRP 9 52.523 60.262 47.815 61 HA TRP 9 HA TRP 9 54.916 59.419 46.329 62 1HB TRP 9 2HB TRP 9 55.531 59.881 49.252 63 2HB TRP 9 1HB TRP 9 56.659 59.806 47.852 64 HD1 TRP 9 HD1 TRP 9 53.704 62.270 48.691 65 HE1 TRP 9 HE1 TRP 9 54.410 64.646 48.319 66 HE3 TRP 9 HE3 TRP 9 58.234 61.249 47.278 67 HZ2 TRP 9 HZ2 TRP 9 56.732 65.913 47.513 68 HZ3 TRP 9 HZ3 TRP 9 59.809 63.095 46.666 69 HH2 TRP 9 HH2 TRP 9 59.047 65.401 46.795 70 H GLU 10 H GLU 10 54.707 57.413 45.983 71 HA GLU 10 HA GLU 10 53.420 55.670 47.988 72 1HB GLU 10 2HB GLU 10 55.140 54.754 45.570 73 2HB GLU 10 1HB GLU 10 53.820 53.850 46.427 74 1HG GLU 10 2HG GLU 10 52.525 56.231 45.704 75 2HG GLU 10 1HG GLU 10 53.736 55.930 44.347 76 H MET 11 H MET 11 54.523 55.340 49.720 77 HA MET 11 HA MET 11 57.475 55.260 50.104 78 1HB MET 11 2HB MET 11 55.622 55.660 51.864 79 2HB MET 11 1HB MET 11 55.084 53.931 51.557 80 1HG MET 11 2HG MET 11 57.099 52.987 52.477 81 2HG MET 11 1HG MET 11 57.947 54.535 52.309 82 1HE MET 11 3HE MET 11 56.863 52.093 54.643 83 2HE MET 11 2HE MET 11 55.917 52.746 55.976 84 3HE MET 11 1HE MET 11 55.191 52.481 54.279 85 H GLU 12 H GLU 12 57.993 54.166 48.331 86 HA GLU 12 HA GLU 12 57.308 51.732 47.255 87 1HB GLU 12 2HB GLU 12 58.916 53.379 46.193 88 2HB GLU 12 1HB GLU 12 60.179 52.827 47.391 89 1HG GLU 12 2HG GLU 12 59.983 50.547 46.645 90 2HG GLU 12 1HG GLU 12 58.568 51.057 45.478 91 H SER 13 H SER 13 59.144 52.382 50.212 92 HA SER 13 HA SER 13 59.207 49.414 50.657 93 1HB SER 13 2HB SER 13 61.560 51.349 51.249 94 2HB SER 13 1HB SER 13 61.575 49.495 51.320 95 HG SER 13 HG SER 13 62.420 50.729 49.454 96 H ASN 14 H ASN 14 59.223 48.762 52.573 97 HA ASN 14 HA ASN 14 59.017 50.673 54.841 98 1HB ASN 14 2HB ASN 14 56.659 49.426 53.958 99 2HB ASN 14 1HB ASN 14 57.399 48.017 54.919 100 1HD2 ASN 14 1HD2 ASN 14 55.469 50.789 56.875 101 2HD2 ASN 14 2HD2 ASN 14 55.175 50.006 55.187 102 H GLU 15 H GLU 15 60.510 50.518 56.066 103 HA GLU 15 HA GLU 15 61.533 47.739 56.432 104 1HB GLU 15 2HB GLU 15 63.282 49.225 55.613 105 2HB GLU 15 1HB GLU 15 62.740 50.554 56.723 106 1HG GLU 15 2HG GLU 15 64.090 49.859 58.394 107 2HG GLU 15 1HG GLU 15 63.465 48.109 58.174 108 H ASN 16 H ASN 16 61.223 46.801 58.350 109 HA ASN 16 HA ASN 16 60.700 46.442 60.637 110 1HB ASN 16 2HB ASN 16 62.911 47.952 60.625 111 2HB ASN 16 1HB ASN 16 61.731 49.260 61.209 112 1HD2 ASN 16 2HD2 ASN 16 62.367 48.201 64.408 113 2HD2 ASN 16 1HD2 ASN 16 62.484 49.505 63.033 114 H PHE 17 H PHE 17 58.616 46.501 60.162 115 HA PHE 17 HA PHE 17 57.165 49.106 60.797 116 1HB PHE 17 2HB PHE 17 55.143 47.337 60.105 117 2HB PHE 17 1HB PHE 17 56.003 48.469 58.973 118 HD1 PHE 17 HD1 PHE 17 58.061 47.618 57.838 119 HD2 PHE 17 HD2 PHE 17 55.326 44.965 59.734 120 HE1 PHE 17 HE1 PHE 17 58.994 45.706 56.564 121 HE2 PHE 17 HE2 PHE 17 56.245 43.008 58.473 122 HZ PHE 17 HZ PHE 17 58.082 43.342 56.879 123 H GLU 18 H GLU 18 57.634 45.741 61.664 124 HA GLU 18 HA GLU 18 55.479 45.818 63.777 125 1HB GLU 18 2HB GLU 18 55.961 43.627 62.883 126 2HB GLU 18 1HB GLU 18 57.723 43.848 62.939 127 1HG GLU 18 2HG GLU 18 56.423 44.142 65.637 128 2HG GLU 18 1HG GLU 18 56.276 42.441 64.897 129 H GLY 19 H GLY 19 59.090 45.849 63.758 130 1HA GLY 19 1HA GLY 19 59.197 46.178 66.603 131 2HA GLY 19 2HA GLY 19 60.556 46.702 65.484 132 H TYR 20 H TYR 20 58.284 48.312 64.103 133 HA TYR 20 HA TYR 20 58.797 50.778 65.636 134 1HB TYR 20 2HB TYR 20 58.508 51.329 63.328 135 2HB TYR 20 1HB TYR 20 57.390 49.921 63.024 136 HD1 TYR 20 HD2 TYR 20 57.775 53.282 64.292 137 HD2 TYR 20 HD1 TYR 20 55.002 50.171 63.306 138 HE1 TYR 20 HE2 TYR 20 55.982 54.946 64.471 139 HE2 TYR 20 HE1 TYR 20 53.112 51.850 63.470 140 HH TYR 20 HH TYR 20 53.483 55.049 63.339 141 H MET 21 H MET 21 56.335 48.474 64.924 142 HA MET 21 HA MET 21 54.082 49.736 66.306 143 1HB MET 21 2HB MET 21 53.086 48.006 65.115 144 2HB MET 21 1HB MET 21 54.716 47.418 64.686 145 1HG MET 21 2HG MET 21 54.688 45.811 66.540 146 2HG MET 21 1HG MET 21 53.469 46.669 67.452 147 1HE MET 21 1HE MET 21 53.764 44.093 67.237 148 2HE MET 21 3HE MET 21 52.054 43.502 67.023 149 3HE MET 21 2HE MET 21 53.153 43.101 65.806 150 H LYS 22 H LYS 22 56.557 47.592 66.939 151 HA LYS 22 HA LYS 22 55.886 46.693 69.626 152 1HB LYS 22 2HB LYS 22 57.560 45.671 67.532 153 2HB LYS 22 1HB LYS 22 58.716 46.496 68.696 154 1HG LYS 22 2HG LYS 22 58.135 45.150 70.400 155 2HG LYS 22 1HG LYS 22 56.428 44.767 69.746 156 1HD LYS 22 2HD LYS 22 57.887 42.758 69.421 157 2HD LYS 22 1HD LYS 22 57.668 43.646 67.831 158 1HE LYS 22 2HE LYS 22 60.057 43.968 67.798 159 2HE LYS 22 1HE LYS 22 59.813 44.958 69.272 160 1HZ LYS 22 3HZ LYS 22 59.805 42.742 70.458 161 2HZ LYS 22 2HZ LYS 22 60.599 42.169 69.108 162 3HZ LYS 22 1HZ LYS 22 61.250 43.481 69.962 163 H ALA 23 H ALA 23 57.448 49.268 68.235 164 HA ALA 23 HA ALA 23 59.069 49.800 70.643 165 1HB ALA 23 3HB ALA 23 58.496 51.357 68.062 166 2HB ALA 23 2HB ALA 23 59.302 52.250 69.482 167 3HB ALA 23 1HB ALA 23 60.074 50.791 68.723 168 H LEU 24 H LEU 24 56.047 50.340 69.494 169 HA LEU 24 HA LEU 24 55.267 51.784 72.058 170 1HB LEU 24 2HB LEU 24 53.262 52.761 70.739 171 2HB LEU 24 1HB LEU 24 54.886 53.364 70.214 172 HG LEU 24 HG LEU 24 54.513 51.138 68.476 173 1HD1 LEU 24 3HD1 LEU 24 51.895 51.851 69.486 174 2HD1 LEU 24 2HD1 LEU 24 52.060 52.498 67.785 175 3HD1 LEU 24 1HD1 LEU 24 52.318 50.780 68.088 176 1HD2 LEU 24 1HD2 LEU 24 55.480 53.549 68.171 177 2HD2 LEU 24 3HD2 LEU 24 54.733 52.634 66.837 178 3HD2 LEU 24 2HD2 LEU 24 53.817 53.980 67.669 179 H ASP 25 H ASP 25 55.745 49.263 71.225 180 HA ASP 25 HA ASP 25 55.260 47.089 71.528 181 1HB ASP 25 2HB ASP 25 53.476 48.544 73.429 182 2HB ASP 25 1HB ASP 25 52.986 46.826 73.040 183 H ILE 26 H ILE 26 52.118 48.460 71.661 184 HA ILE 26 HA ILE 26 50.063 47.693 70.784 185 HB ILE 26 HB ILE 26 51.169 49.760 69.517 186 1HG1 ILE 26 2HG1 ILE 26 48.749 48.219 68.351 187 2HG1 ILE 26 1HG1 ILE 26 48.857 49.054 69.988 188 1HG2 ILE 26 3HG2 ILE 26 52.233 48.069 67.699 189 2HG2 ILE 26 2HG2 ILE 26 50.503 47.880 67.221 190 3HG2 ILE 26 1HG2 ILE 26 51.264 49.498 67.066 191 1HD1 ILE 26 3HD1 ILE 26 49.639 50.517 67.389 192 2HD1 ILE 26 2HD1 ILE 26 48.005 50.674 68.130 193 3HD1 ILE 26 1HD1 ILE 26 49.451 51.187 69.075 194 H ASP 27 H ASP 27 51.474 45.709 71.427 195 HA ASP 27 HA ASP 27 52.307 44.109 69.259 196 1HB ASP 27 2HB ASP 27 52.108 42.111 71.098 197 2HB ASP 27 1HB ASP 27 53.334 43.493 71.263 198 H PHE 28 H PHE 28 50.047 44.505 68.064 199 HA PHE 28 HA PHE 28 47.978 42.553 68.918 200 1HB PHE 28 2HB PHE 28 48.225 45.095 67.207 201 2HB PHE 28 1HB PHE 28 46.753 43.975 67.066 202 HD1 PHE 28 HD1 PHE 28 48.572 44.794 70.294 203 HD2 PHE 28 HD2 PHE 28 45.186 45.530 67.719 204 HE1 PHE 28 HE1 PHE 28 47.388 46.052 72.145 205 HE2 PHE 28 HE2 PHE 28 44.022 46.725 69.501 206 HZ PHE 28 HZ PHE 28 45.167 46.991 71.773 207 H ALA 29 H ALA 29 49.751 43.663 65.956 208 HA ALA 29 HA ALA 29 50.240 41.373 64.488 209 1HB ALA 29 1HB ALA 29 47.272 42.296 64.400 210 2HB ALA 29 3HB ALA 29 48.017 41.489 62.934 211 3HB ALA 29 2HB ALA 29 47.904 40.588 64.505 212 H THR 30 H THR 30 50.672 41.699 62.516 213 HA THR 30 HA THR 30 50.439 43.593 60.618 214 HB THR 30 HB THR 30 52.059 44.656 62.980 215 HG1 THR 30 1HG THR 30 50.901 46.517 62.539 216 1HG2 THR 30 3HG2 THR 30 52.457 45.013 59.971 217 2HG2 THR 30 2HG2 THR 30 52.343 46.577 60.899 218 3HG2 THR 30 1HG2 THR 30 53.656 45.380 61.274 219 H ARG 31 H ARG 31 52.980 42.539 62.788 220 HA ARG 31 HA ARG 31 55.048 42.192 60.860 221 1HB ARG 31 2HB ARG 31 56.121 40.773 62.547 222 2HB ARG 31 1HB ARG 31 55.098 41.982 63.424 223 1HG ARG 31 2HG ARG 31 53.293 39.758 63.072 224 2HG ARG 31 1HG ARG 31 54.930 39.113 63.538 225 1HD ARG 31 2HD ARG 31 54.694 41.334 65.227 226 2HD ARG 31 1HD ARG 31 52.977 40.839 65.135 227 HE ARG 31 HE ARG 31 54.932 38.682 65.581 228 1HH1 ARG 31 1HH1 ARG 31 52.545 41.072 66.967 229 2HH1 ARG 31 2HH1 ARG 31 52.402 40.107 68.442 230 1HH2 ARG 31 2HH2 ARG 31 54.619 37.568 67.532 231 2HH2 ARG 31 1HH2 ARG 31 53.556 38.132 68.809 232 H LYS 32 H LYS 32 52.124 40.335 61.620 233 HA LYS 32 HA LYS 32 53.093 38.297 59.719 234 1HB LYS 32 2HB LYS 32 51.306 36.979 60.441 235 2HB LYS 32 1HB LYS 32 51.393 38.138 61.868 236 1HG LYS 32 2HG LYS 32 49.519 39.518 60.543 237 2HG LYS 32 1HG LYS 32 49.275 38.041 59.619 238 1HD LYS 32 2HD LYS 32 48.717 36.730 61.643 239 2HD LYS 32 1HD LYS 32 49.556 37.904 62.665 240 1HE LYS 32 2HE LYS 32 47.502 38.899 62.994 241 2HE LYS 32 1HE LYS 32 47.635 39.492 61.260 242 1HZ LYS 32 1HZ LYS 32 46.832 36.969 60.904 243 2HZ LYS 32 3HZ LYS 32 46.151 37.285 62.355 244 3HZ LYS 32 2HZ LYS 32 45.790 38.263 61.015 245 H ILE 33 H ILE 33 50.665 40.926 60.008 246 HA ILE 33 HA ILE 33 51.325 41.568 57.347 247 HB ILE 33 HB ILE 33 49.314 39.533 57.514 248 1HG1 ILE 33 2HG1 ILE 33 50.989 39.254 55.692 249 2HG1 ILE 33 1HG1 ILE 33 49.507 39.884 54.840 250 1HG2 ILE 33 1HG2 ILE 33 48.434 42.121 56.104 251 2HG2 ILE 33 3HG2 ILE 33 47.812 40.539 55.555 252 3HG2 ILE 33 2HG2 ILE 33 47.462 41.062 57.231 253 1HD1 ILE 33 2HD1 ILE 33 50.466 42.283 55.690 254 2HD1 ILE 33 1HD1 ILE 33 52.070 41.487 55.554 255 3HD1 ILE 33 3HD1 ILE 33 51.020 41.564 54.135 256 H ALA 34 H ALA 34 51.441 43.508 57.749 257 HA ALA 34 HA ALA 34 49.484 45.342 57.095 258 1HB ALA 34 1HB ALA 34 48.589 44.531 59.679 259 2HB ALA 34 3HB ALA 34 49.745 45.852 60.024 260 3HB ALA 34 2HB ALA 34 48.340 46.095 58.879 261 H VAL 35 H VAL 35 51.808 44.725 56.501 262 HA VAL 35 HA VAL 35 54.040 46.039 57.693 263 HB VAL 35 HB VAL 35 53.355 45.293 54.793 264 1HG1 VAL 35 1HG1 VAL 35 55.590 46.802 55.801 265 2HG1 VAL 35 3HG1 VAL 35 56.260 45.149 55.737 266 3HG1 VAL 35 2HG1 VAL 35 55.597 45.889 54.201 267 1HG2 VAL 35 3HG2 VAL 35 53.919 43.717 57.142 268 2HG2 VAL 35 2HG2 VAL 35 53.564 43.238 55.439 269 3HG2 VAL 35 1HG2 VAL 35 55.311 43.500 55.967 270 H ARG 36 H ARG 36 51.465 46.756 55.830 271 HA ARG 36 HA ARG 36 51.189 49.505 56.242 272 1HB ARG 36 2HB ARG 36 53.066 49.085 53.925 273 2HB ARG 36 1HB ARG 36 51.486 49.957 53.543 274 1HG ARG 36 2HG ARG 36 53.351 50.684 55.832 275 2HG ARG 36 1HG ARG 36 53.138 51.581 54.212 276 1HD ARG 36 2HD ARG 36 51.402 52.717 55.169 277 2HD ARG 36 1HD ARG 36 50.522 51.186 55.375 278 HE ARG 36 HE ARG 36 52.469 51.336 57.485 279 1HH1 ARG 36 1HH2 ARG 36 49.564 53.210 56.537 280 2HH1 ARG 36 2HH2 ARG 36 49.231 53.727 58.178 281 1HH2 ARG 36 1HH1 ARG 36 52.034 52.007 59.523 282 2HH2 ARG 36 2HH1 ARG 36 50.642 53.050 59.922 283 H LEU 37 H LEU 37 51.067 47.957 53.095 284 HA LEU 37 HA LEU 37 49.340 46.563 52.364 285 1HB LEU 37 2HB LEU 37 46.992 46.883 52.828 286 2HB LEU 37 1HB LEU 37 47.888 47.035 54.405 287 HG LEU 37 HG LEU 37 46.984 48.918 54.798 288 1HD1 LEU 37 1HD1 LEU 37 49.006 49.960 53.188 289 2HD1 LEU 37 3HD1 LEU 37 47.555 50.380 52.180 290 3HD1 LEU 37 2HD1 LEU 37 47.711 50.896 53.956 291 1HD2 LEU 37 1HD2 LEU 37 45.255 47.888 53.094 292 2HD2 LEU 37 3HD2 LEU 37 45.118 49.636 53.584 293 3HD2 LEU 37 2HD2 LEU 37 45.837 49.190 51.954 294 H THR 38 H THR 38 50.663 49.387 51.930 295 HA THR 38 HA THR 38 50.795 49.553 49.308 296 HB THR 38 HB THR 38 48.110 50.473 50.272 297 HG1 THR 38 1HG THR 38 47.482 49.368 48.685 298 1HG2 THR 38 3HG2 THR 38 49.836 51.956 48.255 299 2HG2 THR 38 2HG2 THR 38 48.132 51.709 47.671 300 3HG2 THR 38 1HG2 THR 38 48.431 52.606 49.204 301 H GLN 39 H GLN 39 49.437 52.121 51.449 302 HA GLN 39 HA GLN 39 50.259 54.032 52.183 303 1HB GLN 39 2HB GLN 39 51.823 52.545 53.305 304 2HB GLN 39 1HB GLN 39 52.961 52.691 51.842 305 1HG GLN 39 2HG GLN 39 53.654 54.763 52.550 306 2HG GLN 39 1HG GLN 39 51.903 55.323 52.641 307 1HE2 GLN 39 2HE2 GLN 39 51.486 55.306 55.956 308 2HE2 GLN 39 1HE2 GLN 39 50.951 55.620 54.305 309 H THR 40 H THR 40 49.809 55.392 50.863 310 HA THR 40 HA THR 40 51.736 56.436 48.851 311 HB THR 40 HB THR 40 48.665 56.701 48.908 312 HG1 THR 40 1HG THR 40 48.639 55.094 47.576 313 1HG2 THR 40 1HG2 THR 40 50.898 57.960 47.200 314 2HG2 THR 40 3HG2 THR 40 49.378 57.509 46.354 315 3HG2 THR 40 2HG2 THR 40 49.344 58.673 47.749 316 H LYS 41 H LYS 41 52.631 57.348 50.603 317 HA LYS 41 HA LYS 41 51.208 59.229 52.323 318 1HB LYS 41 2HB LYS 41 53.681 58.577 52.718 319 2HB LYS 41 1HB LYS 41 54.083 59.224 51.078 320 1HG LYS 41 2HG LYS 41 52.918 61.184 53.108 321 2HG LYS 41 1HG LYS 41 54.604 60.527 53.314 322 1HD LYS 41 2HD LYS 41 54.798 61.105 50.677 323 2HD LYS 41 1HD LYS 41 53.305 62.096 50.970 324 1HE LYS 41 2HE LYS 41 55.607 63.310 51.057 325 2HE LYS 41 1HE LYS 41 54.360 63.564 52.417 326 1HZ LYS 41 1HZ LYS 41 56.394 61.460 52.660 327 2HZ LYS 41 3HZ LYS 41 56.834 63.066 52.941 328 3HZ LYS 41 2HZ LYS 41 55.608 62.407 53.815 329 H ILE 42 H ILE 42 50.536 61.255 52.090 330 HA ILE 42 HA ILE 42 51.045 62.572 49.388 331 HB ILE 42 HB ILE 42 48.228 62.468 50.717 332 1HG1 ILE 42 2HG1 ILE 42 48.581 61.616 47.993 333 2HG1 ILE 42 1HG1 ILE 42 49.548 60.513 49.057 334 1HG2 ILE 42 1HG2 ILE 42 49.335 63.774 48.188 335 2HG2 ILE 42 3HG2 ILE 42 47.612 63.485 48.537 336 3HG2 ILE 42 2HG2 ILE 42 48.590 64.568 49.632 337 1HD1 ILE 42 2HD1 ILE 42 47.365 60.604 50.660 338 2HD1 ILE 42 1HD1 ILE 42 46.500 61.125 49.210 339 3HD1 ILE 42 3HD1 ILE 42 47.307 59.488 49.260 340 H ILE 43 H ILE 43 52.127 64.144 49.798 341 HA ILE 43 HA ILE 43 51.787 65.725 52.253 342 HB ILE 43 HB ILE 43 53.751 64.915 50.716 343 1HG1 ILE 43 2HG1 ILE 43 53.934 66.343 52.754 344 2HG1 ILE 43 1HG1 ILE 43 55.266 66.710 51.529 345 1HG2 ILE 43 1HG2 ILE 43 52.894 66.024 48.653 346 2HG2 ILE 43 3HG2 ILE 43 53.280 67.669 49.381 347 3HG2 ILE 43 2HG2 ILE 43 54.617 66.532 49.011 348 1HD1 ILE 43 2HD1 ILE 43 52.645 68.292 51.790 349 2HD1 ILE 43 1HD1 ILE 43 54.270 68.718 52.591 350 3HD1 ILE 43 3HD1 ILE 43 54.044 68.753 50.788 351 H VAL 44 H VAL 44 50.363 67.186 52.499 352 HA VAL 44 HA VAL 44 48.986 68.410 50.086 353 HB VAL 44 HB VAL 44 48.431 67.942 52.942 354 1HG1 VAL 44 3HG1 VAL 44 47.566 70.551 51.533 355 2HG1 VAL 44 2HG1 VAL 44 46.707 69.859 52.919 356 3HG1 VAL 44 1HG1 VAL 44 48.458 70.358 53.131 357 1HG2 VAL 44 1HG2 VAL 44 46.949 68.000 50.250 358 2HG2 VAL 44 3HG2 VAL 44 46.849 66.752 51.575 359 3HG2 VAL 44 2HG2 VAL 44 45.993 68.352 51.699 360 H GLN 45 H GLN 45 50.817 69.329 53.059 361 HA GLN 45 HA GLN 45 51.226 71.448 53.851 362 1HB GLN 45 2HB GLN 45 53.112 70.223 53.162 363 2HB GLN 45 1HB GLN 45 53.175 70.967 51.492 364 1HG GLN 45 2HG GLN 45 53.150 73.266 52.665 365 2HG GLN 45 1HG GLN 45 53.373 72.254 54.253 366 1HE2 GLN 45 2HE2 GLN 45 56.620 73.414 52.620 367 2HE2 GLN 45 1HE2 GLN 45 54.976 74.206 53.092 368 H ASP 46 H ASP 46 49.912 72.999 53.833 369 HA ASP 46 HA ASP 46 49.902 74.693 51.322 370 1HB ASP 46 2HB ASP 46 47.874 73.342 52.053 371 2HB ASP 46 1HB ASP 46 47.729 74.440 53.514 372 H GLY 47 H GLY 47 51.661 74.991 53.833 373 1HA GLY 47 1HA GLY 47 52.616 77.116 54.534 374 2HA GLY 47 2HA GLY 47 51.040 77.958 54.149 375 H ASP 48 H ASP 48 52.983 76.596 56.442 376 HA ASP 48 HA ASP 48 52.748 76.365 58.820 377 1HB ASP 48 2HB ASP 48 50.067 77.884 58.352 378 2HB ASP 48 1HB ASP 48 51.044 77.650 59.966 379 H ASN 49 H ASN 49 49.477 76.162 57.577 380 HA ASN 49 HA ASN 49 48.919 73.651 59.103 381 1HB ASN 49 2HB ASN 49 46.892 73.592 57.297 382 2HB ASN 49 1HB ASN 49 46.856 74.777 58.687 383 1HD2 ASN 49 2HD2 ASN 49 47.351 77.593 56.580 384 2HD2 ASN 49 1HD2 ASN 49 47.623 76.879 58.312 385 H PHE 50 H PHE 50 50.296 72.036 58.678 386 HA PHE 50 HA PHE 50 50.299 71.202 55.792 387 1HB PHE 50 2HB PHE 50 52.480 72.163 56.311 388 2HB PHE 50 1HB PHE 50 52.572 71.168 57.848 389 HD1 PHE 50 HD1 PHE 50 51.115 69.486 54.921 390 HD2 PHE 50 HD2 PHE 50 54.677 70.436 57.161 391 HE1 PHE 50 HE1 PHE 50 52.320 67.581 53.823 392 HE2 PHE 50 HE2 PHE 50 55.853 68.561 56.058 393 HZ PHE 50 HZ PHE 50 54.679 67.170 54.428 394 H LYS 51 H LYS 51 48.901 69.530 55.678 395 HA LYS 51 HA LYS 51 49.426 67.460 57.742 396 1HB LYS 51 2HB LYS 51 46.783 67.661 56.210 397 2HB LYS 51 1HB LYS 51 47.103 66.945 57.852 398 1HG LYS 51 2HG LYS 51 46.255 68.999 58.626 399 2HG LYS 51 1HG LYS 51 47.691 69.859 57.900 400 1HD LYS 51 2HD LYS 51 46.499 69.785 55.702 401 2HD LYS 51 1HD LYS 51 45.041 69.141 56.625 402 1HE LYS 51 2HE LYS 51 45.714 71.278 58.125 403 2HE LYS 51 1HE LYS 51 46.133 71.949 56.476 404 1HZ LYS 51 3HZ LYS 51 43.537 70.707 57.376 405 2HZ LYS 51 2HZ LYS 51 43.730 72.353 56.999 406 3HZ LYS 51 1HZ LYS 51 43.876 71.180 55.834 407 H THR 52 H THR 52 50.859 66.307 56.734 408 HA THR 52 HA THR 52 50.559 65.344 53.997 409 HB THR 52 HB THR 52 52.477 65.264 56.190 410 HG1 THR 52 1HG THR 52 53.598 64.274 54.253 411 1HG2 THR 52 1HG2 THR 52 51.728 62.434 54.963 412 2HG2 THR 52 3HG2 THR 52 53.188 62.793 55.949 413 3HG2 THR 52 2HG2 THR 52 51.560 62.934 56.718 414 H LYS 53 H LYS 53 49.993 63.080 53.376 415 HA LYS 53 HA LYS 53 48.955 61.357 55.493 416 1HB LYS 53 2HB LYS 53 46.447 61.650 54.166 417 2HB LYS 53 1HB LYS 53 46.860 62.290 55.832 418 1HG LYS 53 2HG LYS 53 45.792 63.998 54.577 419 2HG LYS 53 1HG LYS 53 47.544 64.449 54.537 420 1HD LYS 53 2HD LYS 53 46.905 64.779 52.333 421 2HD LYS 53 1HD LYS 53 47.773 63.131 52.424 422 1HE LYS 53 2HE LYS 53 45.532 63.131 50.986 423 2HE LYS 53 1HE LYS 53 45.566 62.008 52.458 424 1HZ LYS 53 2HZ LYS 53 44.572 64.837 52.648 425 2HZ LYS 53 1HZ LYS 53 43.613 63.597 52.072 426 3HZ LYS 53 3HZ LYS 53 44.248 63.509 53.607 427 H THR 54 H THR 54 48.343 59.541 55.081 428 HA THR 54 HA THR 54 49.017 58.611 52.323 429 HB THR 54 HB THR 54 50.200 57.475 54.148 430 HG1 THR 54 1HG THR 54 50.136 56.114 52.643 431 1HG2 THR 54 2HG2 THR 54 47.347 56.912 55.070 432 2HG2 THR 54 1HG2 THR 54 48.588 55.559 55.252 433 3HG2 THR 54 3HG2 THR 54 48.793 57.153 56.088 434 H ASN 55 H ASN 55 47.617 56.503 51.695 435 HA ASN 55 HA ASN 55 44.763 57.060 52.332 436 1HB ASN 55 2HB ASN 55 45.758 58.326 50.208 437 2HB ASN 55 1HB ASN 55 45.383 56.705 49.360 438 1HD2 ASN 55 1HD2 ASN 55 42.510 59.355 49.792 439 2HD2 ASN 55 2HD2 ASN 55 44.377 59.653 49.632 440 H SER 56 H SER 56 46.640 55.162 52.863 441 HA SER 56 HA SER 56 46.679 52.581 51.909 442 1HB SER 56 2HB SER 56 46.262 52.160 54.638 443 2HB SER 56 1HB SER 56 47.791 52.950 53.952 444 HG SER 56 HG SER 56 46.404 53.970 55.684 445 H THR 57 H THR 57 44.369 53.743 54.233 446 HA THR 57 HA THR 57 41.964 53.635 54.003 447 HB THR 57 HB THR 57 42.138 52.161 51.898 448 HG1 THR 57 1HG THR 57 40.109 51.619 53.802 449 1HG2 THR 57 3HG2 THR 57 43.118 50.025 53.338 450 2HG2 THR 57 2HG2 THR 57 41.507 49.943 54.048 451 3HG2 THR 57 1HG2 THR 57 41.694 49.757 52.249 452 H PHE 58 H PHE 58 44.382 51.380 54.695 453 HA PHE 58 HA PHE 58 43.358 50.062 57.094 454 1HB PHE 58 2HB PHE 58 46.195 50.473 56.021 455 2HB PHE 58 1HB PHE 58 45.959 50.084 57.794 456 HD1 PHE 58 HD1 PHE 58 43.850 48.842 54.952 457 HD2 PHE 58 HD2 PHE 58 46.801 47.961 57.963 458 HE1 PHE 58 HE1 PHE 58 43.590 46.411 54.467 459 HE2 PHE 58 HE2 PHE 58 46.543 45.570 57.489 460 HZ PHE 58 HZ PHE 58 44.972 44.812 55.790 461 H ARG 59 H ARG 59 45.805 52.545 56.846 462 HA ARG 59 HA ARG 59 44.514 53.972 59.191 463 1HB ARG 59 2HB ARG 59 46.908 52.314 59.589 464 2HB ARG 59 1HB ARG 59 47.330 54.095 59.765 465 1HG ARG 59 2HG ARG 59 46.601 53.301 61.960 466 2HG ARG 59 1HG ARG 59 45.386 54.425 61.203 467 1HD ARG 59 2HD ARG 59 43.822 52.722 60.955 468 2HD ARG 59 1HD ARG 59 45.082 51.417 60.761 469 HE ARG 59 HE ARG 59 43.739 52.112 63.150 470 1HH1 ARG 59 2HH1 ARG 59 47.204 51.472 62.054 471 2HH1 ARG 59 1HH1 ARG 59 47.686 50.919 63.625 472 1HH2 ARG 59 2HH2 ARG 59 44.523 51.382 65.102 473 2HH2 ARG 59 1HH2 ARG 59 46.144 50.875 65.388 474 H ASN 60 H ASN 60 44.074 55.729 58.409 475 HA ASN 60 HA ASN 60 46.164 57.065 56.696 476 1HB ASN 60 2HB ASN 60 43.376 58.227 57.212 477 2HB ASN 60 1HB ASN 60 44.445 58.316 55.694 478 1HD2 ASN 60 2HD2 ASN 60 41.357 55.845 55.922 479 2HD2 ASN 60 1HD2 ASN 60 41.589 57.388 56.741 480 H TYR 61 H TYR 61 47.227 57.003 58.800 481 HA TYR 61 HA TYR 61 46.709 59.623 60.189 482 1HB TYR 61 2HB TYR 61 46.019 57.259 61.327 483 2HB TYR 61 1HB TYR 61 47.782 57.138 61.710 484 HD1 TYR 61 HD1 TYR 61 48.107 60.290 61.877 485 HD2 TYR 61 HD2 TYR 61 45.521 57.396 63.727 486 HE1 TYR 61 HE1 TYR 61 47.901 61.794 63.769 487 HE2 TYR 61 HE2 TYR 61 45.306 58.924 65.716 488 HH TYR 61 HH TYR 61 46.103 62.074 65.576 489 H ASP 62 H ASP 62 48.290 60.300 58.598 490 HA ASP 62 HA ASP 62 51.074 59.296 59.157 491 1HB ASP 62 2HB ASP 62 49.601 60.029 56.802 492 2HB ASP 62 1HB ASP 62 51.132 61.081 57.033 493 H LEU 63 H LEU 63 49.627 62.487 58.326 494 HA LEU 63 HA LEU 63 51.104 63.690 60.641 495 1HB LEU 63 2HB LEU 63 52.559 63.541 58.452 496 2HB LEU 63 1HB LEU 63 51.449 64.835 57.790 497 HG LEU 63 HG LEU 63 52.473 65.455 60.505 498 1HD1 LEU 63 3HD1 LEU 63 54.375 64.851 58.166 499 2HD1 LEU 63 2HD1 LEU 63 54.801 65.839 59.654 500 3HD1 LEU 63 1HD1 LEU 63 54.453 64.079 59.799 501 1HD2 LEU 63 1HD2 LEU 63 51.423 67.038 58.742 502 2HD2 LEU 63 3HD2 LEU 63 53.098 67.535 59.397 503 3HD2 LEU 63 2HD2 LEU 63 52.877 66.738 57.745 504 H ASP 64 H ASP 64 49.214 64.664 61.587 505 HA ASP 64 HA ASP 64 47.738 66.526 59.673 506 1HB ASP 64 2HB ASP 64 45.820 65.985 61.211 507 2HB ASP 64 1HB ASP 64 46.363 64.536 60.148 508 H PHE 65 H PHE 65 49.657 67.968 60.560 509 HA PHE 65 HA PHE 65 48.573 69.301 63.031 510 1HB PHE 65 2HB PHE 65 51.576 69.376 62.589 511 2HB PHE 65 1HB PHE 65 50.535 69.311 64.086 512 HD1 PHE 65 HD2 PHE 65 49.077 67.164 64.138 513 HD2 PHE 65 HD1 PHE 65 52.969 67.477 62.264 514 HE1 PHE 65 HE2 PHE 65 49.441 64.796 64.398 515 HE2 PHE 65 HE1 PHE 65 53.328 65.118 62.539 516 HZ PHE 65 HZ PHE 65 51.524 63.664 63.631 517 H THR 66 H THR 66 49.246 71.317 63.289 518 HA THR 66 HA THR 66 49.718 72.901 60.740 519 HB THR 66 HB THR 66 48.173 73.249 63.358 520 HG1 THR 66 1HG THR 66 46.876 72.850 61.772 521 1HG2 THR 66 3HG2 THR 66 49.406 75.444 61.492 522 2HG2 THR 66 2HG2 THR 66 47.871 75.802 62.349 523 3HG2 THR 66 1HG2 THR 66 49.412 75.493 63.288 524 H VAL 67 H VAL 67 51.806 73.030 60.619 525 HA VAL 67 HA VAL 67 53.819 72.721 62.461 526 HB VAL 67 HB VAL 67 53.843 75.081 60.517 527 1HG1 VAL 67 1HG1 VAL 67 55.653 74.804 62.292 528 2HG1 VAL 67 3HG1 VAL 67 56.109 73.212 61.463 529 3HG1 VAL 67 2HG1 VAL 67 56.224 74.815 60.563 530 1HG2 VAL 67 3HG2 VAL 67 53.475 72.344 59.895 531 2HG2 VAL 67 2HG2 VAL 67 54.007 73.685 58.777 532 3HG2 VAL 67 1HG2 VAL 67 55.234 72.634 59.632 533 H GLY 68 H GLY 68 54.651 73.391 64.154 534 1HA GLY 68 1HA GLY 68 55.377 75.016 65.677 535 2HA GLY 68 2HA GLY 68 54.196 76.227 64.895 536 H VAL 69 H VAL 69 52.121 73.892 65.128 537 HA VAL 69 HA VAL 69 51.254 74.746 67.859 538 HB VAL 69 HB VAL 69 50.104 72.831 65.728 539 1HG1 VAL 69 3HG1 VAL 69 49.357 73.179 68.436 540 2HG1 VAL 69 2HG1 VAL 69 48.043 74.017 67.484 541 3HG1 VAL 69 1HG1 VAL 69 48.443 72.333 67.085 542 1HG2 VAL 69 2HG2 VAL 69 50.299 75.294 65.012 543 2HG2 VAL 69 1HG2 VAL 69 48.617 74.667 65.019 544 3HG2 VAL 69 3HG2 VAL 69 49.135 75.753 66.355 545 H GLU 70 H GLU 70 52.971 73.898 68.775 546 HA GLU 70 HA GLU 70 53.923 71.326 68.933 547 1HB GLU 70 2HB GLU 70 54.281 73.451 70.549 548 2HB GLU 70 1HB GLU 70 53.048 72.534 71.585 549 1HG GLU 70 2HG GLU 70 54.435 70.456 71.091 550 2HG GLU 70 1HG GLU 70 55.852 71.667 70.875 551 H PHE 71 H PHE 71 52.941 69.662 68.629 552 HA PHE 71 HA PHE 71 50.198 69.278 69.539 553 1HB PHE 71 2HB PHE 71 52.010 67.523 68.001 554 2HB PHE 71 1HB PHE 71 51.133 66.591 69.302 555 HD1 PHE 71 HD2 PHE 71 50.414 69.333 66.831 556 HD2 PHE 71 HD1 PHE 71 49.178 65.704 68.673 557 HE1 PHE 71 HE2 PHE 71 48.350 69.355 65.361 558 HE2 PHE 71 HE1 PHE 71 47.166 65.662 67.292 559 HZ PHE 71 HZ PHE 71 46.715 67.504 65.605 560 H ASP 72 H ASP 72 49.929 69.698 71.584 561 HA ASP 72 HA ASP 72 51.464 68.737 73.760 562 1HB ASP 72 2HB ASP 72 49.560 70.523 73.397 563 2HB ASP 72 1HB ASP 72 48.442 69.184 74.001 564 H GLU 73 H GLU 73 51.776 66.436 72.913 565 HA GLU 73 HA GLU 73 51.232 64.049 73.166 566 1HB GLU 73 2HB GLU 73 49.439 65.145 75.407 567 2HB GLU 73 1HB GLU 73 50.490 63.665 75.465 568 1HG GLU 73 2HG GLU 73 52.519 65.173 75.247 569 2HG GLU 73 1HG GLU 73 51.370 66.616 75.509 570 H HIS 74 H HIS 74 49.310 62.861 74.044 571 HA HIS 74 HA HIS 74 47.343 61.816 73.620 572 1HB HIS 74 2HB HIS 74 46.592 64.678 72.856 573 2HB HIS 74 1HB HIS 74 45.599 63.317 72.222 574 HD1 HIS 74 HD1 HIS 74 45.718 61.344 74.593 575 HD2 HIS 74 HD2 HIS 74 45.292 65.482 74.898 576 HE1 HIS 74 HE1 HIS 74 44.582 61.837 76.962 577 HE2 HIS 74 HE2 HIS 74 44.352 64.353 77.094 578 H THR 75 H THR 75 48.327 60.381 72.438 579 HA THR 75 HA THR 75 48.263 60.733 69.512 580 HB THR 75 HB THR 75 49.618 58.839 69.252 581 HG1 THR 75 1HG THR 75 50.069 57.437 70.874 582 1HG2 THR 75 2HG2 THR 75 50.237 61.052 70.924 583 2HG2 THR 75 1HG2 THR 75 50.698 59.749 72.049 584 3HG2 THR 75 3HG2 THR 75 51.560 59.921 70.454 585 H LYS 76 H LYS 76 47.612 58.023 71.635 586 HA LYS 76 HA LYS 76 46.224 56.155 71.490 587 1HB LYS 76 2HB LYS 76 43.706 57.580 71.074 588 2HB LYS 76 1HB LYS 76 44.399 56.730 72.500 589 1HG LYS 76 2HG LYS 76 45.999 58.720 72.942 590 2HG LYS 76 1HG LYS 76 45.092 59.567 71.622 591 1HD LYS 76 2HD LYS 76 43.449 58.338 73.853 592 2HD LYS 76 1HD LYS 76 44.363 59.909 74.178 593 1HE LYS 76 2HE LYS 76 43.101 61.082 72.591 594 2HE LYS 76 1HE LYS 76 42.686 59.603 71.656 595 1HZ LYS 76 3HZ LYS 76 41.341 58.996 73.775 596 2HZ LYS 76 2HZ LYS 76 41.308 60.647 74.061 597 3HZ LYS 76 1HZ LYS 76 40.741 59.986 72.626 598 H GLY 77 H GLY 77 45.342 54.710 70.592 599 1HA GLY 77 1HA GLY 77 44.065 53.600 68.841 600 2HA GLY 77 2HA GLY 77 44.431 55.004 67.739 601 H LEU 78 H LEU 78 47.172 54.959 68.986 602 HA LEU 78 HA LEU 78 48.391 52.593 67.703 603 1HB LEU 78 2HB LEU 78 47.952 54.494 65.995 604 2HB LEU 78 1HB LEU 78 49.355 55.336 66.758 605 HG LEU 78 HG LEU 78 50.555 53.029 66.585 606 1HD1 LEU 78 3HD1 LEU 78 48.091 52.187 65.618 607 2HD1 LEU 78 2HD1 LEU 78 49.110 52.297 64.111 608 3HD1 LEU 78 1HD1 LEU 78 49.691 51.288 65.535 609 1HD2 LEU 78 2HD2 LEU 78 49.780 54.798 64.176 610 2HD2 LEU 78 1HD2 LEU 78 51.366 54.773 65.065 611 3HD2 LEU 78 3HD2 LEU 78 50.876 53.446 63.886 612 H ASP 79 H ASP 79 48.461 53.010 70.267 613 HA ASP 79 HA ASP 79 50.750 52.547 71.333 614 1HB ASP 79 2HB ASP 79 52.089 54.301 70.376 615 2HB ASP 79 1HB ASP 79 50.801 55.598 70.688 616 H GLY 80 H GLY 80 49.139 55.677 71.630 617 1HA GLY 80 1HA GLY 80 47.800 56.634 73.176 618 2HA GLY 80 2HA GLY 80 47.441 54.921 73.829 619 H ARG 81 H ARG 81 49.473 57.708 73.623 620 HA ARG 81 HA ARG 81 50.276 57.226 76.456 621 1HB ARG 81 2HB ARG 81 52.006 56.255 74.827 622 2HB ARG 81 1HB ARG 81 52.383 57.986 74.271 623 1HG ARG 81 2HG ARG 81 53.610 58.457 76.163 624 2HG ARG 81 1HG ARG 81 52.440 57.692 77.227 625 1HD ARG 81 2HD ARG 81 53.914 55.901 75.333 626 2HD ARG 81 1HD ARG 81 55.031 56.857 76.440 627 HE ARG 81 HE ARG 81 53.466 54.501 77.087 628 1HH1 ARG 81 1HH2 ARG 81 54.669 57.647 78.452 629 2HH1 ARG 81 2HH2 ARG 81 54.623 57.070 80.095 630 1HH2 ARG 81 2HH1 ARG 81 53.420 53.786 79.250 631 2HH2 ARG 81 1HH1 ARG 81 53.902 54.807 80.596 632 H ASN 82 H ASN 82 52.362 59.655 75.432 633 HA ASN 82 HA ASN 82 50.710 61.819 75.130 634 1HB ASN 82 2HB ASN 82 51.376 62.551 77.834 635 2HB ASN 82 1HB ASN 82 49.674 61.839 77.413 636 1HD2 ASN 82 2HD2 ASN 82 52.679 59.703 79.150 637 2HD2 ASN 82 1HD2 ASN 82 53.023 61.181 78.239 638 H VAL 83 H VAL 83 52.197 62.495 73.879 639 HA VAL 83 HA VAL 83 54.894 63.147 75.138 640 HB VAL 83 HB VAL 83 54.063 62.078 72.430 641 1HG1 VAL 83 3HG1 VAL 83 56.813 63.075 73.372 642 2HG1 VAL 83 2HG1 VAL 83 56.637 61.955 71.902 643 3HG1 VAL 83 1HG1 VAL 83 55.942 63.564 71.838 644 1HG2 VAL 83 1HG2 VAL 83 54.265 60.543 74.476 645 2HG2 VAL 83 3HG2 VAL 83 55.292 60.098 73.000 646 3HG2 VAL 83 2HG2 VAL 83 56.004 60.871 74.526 647 H LYS 84 H LYS 84 56.093 64.780 74.465 648 HA LYS 84 HA LYS 84 54.647 67.087 73.326 649 1HB LYS 84 2HB LYS 84 56.904 66.889 75.077 650 2HB LYS 84 1HB LYS 84 57.626 67.341 73.487 651 1HG LYS 84 2HG LYS 84 56.852 69.452 74.564 652 2HG LYS 84 1HG LYS 84 55.833 68.996 73.080 653 1HD LYS 84 2HD LYS 84 54.783 69.823 75.405 654 2HD LYS 84 1HD LYS 84 53.935 68.635 74.369 655 1HE LYS 84 2HE LYS 84 55.021 66.696 75.746 656 2HE LYS 84 1HE LYS 84 55.904 68.017 76.678 657 1HZ LYS 84 1HZ LYS 84 52.928 67.809 76.586 658 2HZ LYS 84 3HZ LYS 84 53.873 67.031 77.694 659 3HZ LYS 84 2HZ LYS 84 53.916 68.724 77.598 660 H THR 85 H THR 85 54.062 66.702 71.493 661 HA THR 85 HA THR 85 55.919 65.770 69.332 662 HB THR 85 HB THR 85 52.933 65.982 69.735 663 HG1 THR 85 1HG THR 85 53.552 63.674 69.743 664 1HG2 THR 85 3HG2 THR 85 54.854 64.651 67.519 665 2HG2 THR 85 2HG2 THR 85 53.040 64.396 67.682 666 3HG2 THR 85 1HG2 THR 85 53.730 66.028 67.244 667 H LEU 86 H LEU 86 57.079 67.622 69.381 668 HA LEU 86 HA LEU 86 55.775 70.058 68.295 669 1HB LEU 86 2HB LEU 86 57.919 69.954 69.871 670 2HB LEU 86 1HB LEU 86 58.807 69.548 68.295 671 HG LEU 86 HG LEU 86 57.284 71.756 67.553 672 1HD1 LEU 86 1HD1 LEU 86 58.182 71.835 70.412 673 2HD1 LEU 86 3HD1 LEU 86 58.583 73.296 69.372 674 3HD1 LEU 86 2HD1 LEU 86 56.866 72.790 69.621 675 1HD2 LEU 86 1HD2 LEU 86 60.206 71.336 68.413 676 2HD2 LEU 86 3HD2 LEU 86 59.591 71.366 66.747 677 3HD2 LEU 86 2HD2 LEU 86 59.602 72.916 67.686 678 H VAL 87 H VAL 87 55.888 70.954 66.388 679 HA VAL 87 HA VAL 87 57.156 69.481 64.153 680 HB VAL 87 HB VAL 87 54.402 70.963 64.148 681 1HG1 VAL 87 2HG1 VAL 87 55.999 70.326 61.968 682 2HG1 VAL 87 1HG1 VAL 87 54.874 68.934 62.014 683 3HG1 VAL 87 3HG1 VAL 87 54.204 70.615 61.952 684 1HG2 VAL 87 2HG2 VAL 87 54.943 67.907 64.319 685 2HG2 VAL 87 1HG2 VAL 87 54.074 68.907 65.535 686 3HG2 VAL 87 3HG2 VAL 87 53.355 68.674 63.914 687 H THR 88 H THR 88 58.296 70.700 62.812 688 HA THR 88 HA THR 88 57.741 73.580 62.618 689 HB THR 88 HB THR 88 60.211 72.243 63.887 690 HG1 THR 88 1HG THR 88 58.110 73.735 64.872 691 1HG2 THR 88 2HG2 THR 88 59.611 75.251 63.084 692 2HG2 THR 88 1HG2 THR 88 60.698 74.837 64.441 693 3HG2 THR 88 3HG2 THR 88 61.126 74.235 62.767 694 H TRP 89 H TRP 89 59.397 74.578 61.239 695 HA TRP 89 HA TRP 89 60.118 72.952 58.773 696 1HB TRP 89 2HB TRP 89 59.476 75.912 59.501 697 2HB TRP 89 1HB TRP 89 60.462 75.487 58.036 698 HD1 TRP 89 HD1 TRP 89 56.905 75.764 59.070 699 HE1 TRP 89 HE1 TRP 89 55.498 74.267 57.424 700 HE3 TRP 89 HE3 TRP 89 60.705 73.349 56.911 701 HZ2 TRP 89 HZ2 TRP 89 56.138 72.210 55.444 702 HZ3 TRP 89 HZ3 TRP 89 60.399 71.653 55.214 703 HH2 TRP 89 HH2 TRP 89 58.174 71.129 54.565 704 H GLU 90 H GLU 90 62.370 72.888 58.059 705 HA GLU 90 HA GLU 90 64.095 73.896 60.261 706 1HB GLU 90 2HB GLU 90 63.873 71.494 58.841 707 2HB GLU 90 1HB GLU 90 65.113 72.394 57.872 708 1HG GLU 90 2HG GLU 90 65.659 72.289 60.912 709 2HG GLU 90 1HG GLU 90 65.840 70.756 59.831 710 H GLY 91 H GLY 91 62.879 74.621 57.247 711 1HA GLY 91 1HA GLY 91 63.477 76.984 56.518 712 2HA GLY 91 2HA GLY 91 65.216 76.420 56.503 713 H ASN 92 H ASN 92 64.408 73.745 55.962 714 HA ASN 92 HA ASN 92 63.255 73.816 53.204 715 1HB ASN 92 2HB ASN 92 65.330 72.346 52.422 716 2HB ASN 92 1HB ASN 92 65.486 74.182 52.467 717 1HD2 ASN 92 2HD2 ASN 92 68.324 73.903 54.243 718 2HD2 ASN 92 1HD2 ASN 92 67.501 74.353 52.773 719 H THR 93 H THR 93 62.750 72.630 55.935 720 HA THR 93 HA THR 93 61.782 70.105 55.000 721 HB THR 93 HB THR 93 64.151 69.336 55.105 722 HG1 THR 93 1HG THR 93 63.133 67.749 56.813 723 1HG2 THR 93 1HG2 THR 93 63.551 69.673 58.159 724 2HG2 THR 93 3HG2 THR 93 64.839 68.553 57.545 725 3HG2 THR 93 2HG2 THR 93 65.016 70.317 57.255 726 H LEU 94 H LEU 94 61.060 68.663 56.477 727 HA LEU 94 HA LEU 94 59.611 69.994 58.749 728 1HB LEU 94 2HB LEU 94 58.303 68.910 56.960 729 2HB LEU 94 1HB LEU 94 58.990 67.303 57.491 730 HG LEU 94 HG LEU 94 58.315 68.481 59.894 731 1HD1 LEU 94 1HD1 LEU 94 56.183 69.374 57.828 732 2HD1 LEU 94 3HD1 LEU 94 55.707 68.937 59.536 733 3HD1 LEU 94 2HD1 LEU 94 56.917 70.276 59.177 734 1HD2 LEU 94 3HD2 LEU 94 57.812 66.079 59.144 735 2HD2 LEU 94 2HD2 LEU 94 56.431 66.887 60.015 736 3HD2 LEU 94 1HD2 LEU 94 56.413 66.776 58.211 737 H VAL 95 H VAL 95 60.743 70.139 60.337 738 HA VAL 95 HA VAL 95 62.136 67.852 61.523 739 HB VAL 95 HB VAL 95 61.811 70.867 62.294 740 1HG1 VAL 95 3HG1 VAL 95 62.740 68.771 63.931 741 2HG1 VAL 95 2HG1 VAL 95 64.224 69.671 63.455 742 3HG1 VAL 95 1HG1 VAL 95 62.796 70.513 64.270 743 1HG2 VAL 95 3HG2 VAL 95 63.221 69.904 60.148 744 2HG2 VAL 95 2HG2 VAL 95 63.569 71.436 61.068 745 3HG2 VAL 95 1HG2 VAL 95 64.502 69.896 61.501 746 H CYS 96 H CYS 96 60.909 66.679 62.949 747 HA CYS 96 HA CYS 96 59.347 68.211 64.976 748 1HB CYS 96 2HB CYS 96 58.035 65.642 64.305 749 2HB CYS 96 1HB CYS 96 57.253 67.212 64.198 750 HG CYS 96 HG CYS 96 57.539 67.806 61.951 751 H VAL 97 H VAL 97 59.061 67.218 66.764 752 HA VAL 97 HA VAL 97 60.707 64.796 67.409 753 HB VAL 97 HB VAL 97 60.597 66.910 69.466 754 1HG1 VAL 97 1HG1 VAL 97 62.254 64.749 69.000 755 2HG1 VAL 97 3HG1 VAL 97 63.147 66.030 68.029 756 3HG1 VAL 97 2HG1 VAL 97 62.976 66.245 69.783 757 1HG2 VAL 97 3HG2 VAL 97 61.905 67.387 66.758 758 2HG2 VAL 97 2HG2 VAL 97 60.589 68.392 67.612 759 3HG2 VAL 97 1HG2 VAL 97 62.306 68.334 68.263 760 H GLN 98 H GLN 98 59.882 63.510 68.858 761 HA GLN 98 HA GLN 98 57.387 64.104 70.433 762 1HB GLN 98 2HB GLN 98 58.277 61.847 68.756 763 2HB GLN 98 1HB GLN 98 57.883 61.252 70.479 764 1HG GLN 98 2HG GLN 98 55.696 61.548 70.192 765 2HG GLN 98 1HG GLN 98 55.876 63.154 69.343 766 1HE2 GLN 98 1HE2 GLN 98 54.463 60.241 67.355 767 2HE2 GLN 98 2HE2 GLN 98 54.234 60.715 69.041 768 H LYS 99 H LYS 99 57.907 64.743 72.312 769 HA LYS 99 HA LYS 99 59.940 62.921 73.744 770 1HB LYS 99 2HB LYS 99 60.971 65.043 72.857 771 2HB LYS 99 1HB LYS 99 59.817 66.009 73.784 772 1HG LYS 99 2HG LYS 99 61.616 65.995 75.309 773 2HG LYS 99 1HG LYS 99 60.836 64.456 75.875 774 1HD LYS 99 2HD LYS 99 62.999 63.605 75.477 775 2HD LYS 99 1HD LYS 99 62.562 63.741 73.704 776 1HE LYS 99 2HE LYS 99 63.764 66.000 75.503 777 2HE LYS 99 1HE LYS 99 64.776 64.852 74.543 778 1HZ LYS 99 1HZ LYS 99 63.454 65.643 72.570 779 2HZ LYS 99 3HZ LYS 99 62.659 66.745 73.586 780 3HZ LYS 99 2HZ LYS 99 64.275 66.919 73.334 781 H GLY 100 H GLY 100 58.401 62.022 75.084 782 1HA GLY 100 1HA GLY 100 57.740 63.753 77.414 783 2HA GLY 100 2HA GLY 100 56.250 63.405 76.520 784 H GLU 101 H GLU 101 59.163 61.895 77.493 785 HA GLU 101 HA GLU 101 59.722 60.008 78.644 786 1HB GLU 101 2HB GLU 101 58.079 61.114 80.363 787 2HB GLU 101 1HB GLU 101 56.767 60.134 79.629 788 1HG GLU 101 2HG GLU 101 57.752 58.026 80.391 789 2HG GLU 101 1HG GLU 101 59.355 58.860 80.748 790 H LYS 102 H LYS 102 59.759 58.054 78.644 791 HA LYS 102 HA LYS 102 59.217 55.785 78.359 792 1HB LYS 102 2HB LYS 102 56.736 56.505 77.943 793 2HB LYS 102 1HB LYS 102 57.228 56.509 76.185 794 1HG LYS 102 2HG LYS 102 58.159 54.054 77.715 795 2HG LYS 102 1HG LYS 102 56.367 54.209 77.471 796 1HD LYS 102 2HD LYS 102 56.544 54.613 75.140 797 2HD LYS 102 1HD LYS 102 58.370 54.593 75.167 798 1HE LYS 102 2HE LYS 102 58.017 52.419 74.432 799 2HE LYS 102 1HE LYS 102 58.115 52.301 76.258 800 1HZ LYS 102 1HZ LYS 102 55.497 52.790 74.912 801 2HZ LYS 102 3HZ LYS 102 56.097 51.227 74.803 802 3HZ LYS 102 2HZ LYS 102 55.816 51.953 76.278 803 H GLU 103 H GLU 103 58.965 57.830 75.526 804 HA GLU 103 HA GLU 103 61.345 56.544 74.362 805 1HB GLU 103 2HB GLU 103 60.026 56.052 72.230 806 2HB GLU 103 1HB GLU 103 59.623 54.987 73.657 807 1HG GLU 103 2HG GLU 103 57.647 56.121 74.150 808 2HG GLU 103 1HG GLU 103 57.945 57.481 72.938 809 H ASN 104 H ASN 104 61.480 57.221 71.901 810 HA ASN 104 HA ASN 104 60.903 60.154 71.846 811 1HB ASN 104 2HB ASN 104 63.328 58.468 71.016 812 2HB ASN 104 1HB ASN 104 63.266 60.288 70.680 813 1HD2 ASN 104 1HD2 ASN 104 63.884 61.070 74.096 814 2HD2 ASN 104 2HD2 ASN 104 63.055 61.656 72.498 815 H ARG 105 H ARG 105 59.060 59.596 70.609 816 HA ARG 105 HA ARG 105 59.013 57.820 68.360 817 1HB ARG 105 2HB ARG 105 56.945 59.625 69.658 818 2HB ARG 105 1HB ARG 105 56.812 59.206 67.901 819 1HG ARG 105 2HG ARG 105 57.460 57.022 69.928 820 2HG ARG 105 1HG ARG 105 55.748 57.522 69.492 821 1HD ARG 105 2HD ARG 105 57.688 57.034 67.180 822 2HD ARG 105 1HD ARG 105 56.846 55.629 67.965 823 HE ARG 105 HE ARG 105 55.850 57.653 66.215 824 1HH1 ARG 105 1HH2 ARG 105 54.699 55.702 69.223 825 2HH1 ARG 105 2HH2 ARG 105 53.077 55.913 68.682 826 1HH2 ARG 105 2HH1 ARG 105 53.548 57.730 65.786 827 2HH2 ARG 105 1HH1 ARG 105 52.433 56.936 66.925 828 H GLY 106 H GLY 106 60.379 60.757 68.795 829 1HA GLY 106 1HA GLY 106 60.073 62.604 66.873 830 2HA GLY 106 2HA GLY 106 61.669 61.865 67.133 831 H TRP 107 H TRP 107 59.372 62.453 65.024 832 HA TRP 107 HA TRP 107 60.701 60.984 62.834 833 1HB TRP 107 2HB TRP 107 58.710 60.285 61.786 834 2HB TRP 107 1HB TRP 107 57.939 60.441 63.436 835 HD1 TRP 107 HD1 TRP 107 58.174 62.162 59.972 836 HE1 TRP 107 HE1 TRP 107 56.662 64.307 60.011 837 HE3 TRP 107 HE3 TRP 107 57.218 62.254 64.906 838 HZ2 TRP 107 HZ2 TRP 107 55.460 65.627 61.843 839 HZ3 TRP 107 HZ3 TRP 107 55.810 64.043 65.795 840 HH2 TRP 107 HH2 TRP 107 54.942 65.715 64.300 841 H LYS 108 H LYS 108 60.988 61.907 60.992 842 HA LYS 108 HA LYS 108 60.125 64.628 60.481 843 1HB LYS 108 2HB LYS 108 62.823 65.178 60.321 844 2HB LYS 108 1HB LYS 108 61.987 65.371 61.957 845 1HG LYS 108 2HG LYS 108 62.616 63.016 62.541 846 2HG LYS 108 1HG LYS 108 63.569 62.936 60.975 847 1HD LYS 108 2HD LYS 108 65.135 63.396 62.758 848 2HD LYS 108 1HD LYS 108 64.974 64.845 61.743 849 1HE LYS 108 2HE LYS 108 62.911 64.819 63.896 850 2HE LYS 108 1HE LYS 108 64.596 64.602 64.627 851 1HZ LYS 108 3HZ LYS 108 65.288 66.533 63.313 852 2HZ LYS 108 2HZ LYS 108 63.692 66.747 62.818 853 3HZ LYS 108 1HZ LYS 108 64.097 66.890 64.430 854 H GLN 109 H GLN 109 61.397 65.676 58.651 855 HA GLN 109 HA GLN 109 62.312 63.403 56.763 856 1HB GLN 109 2HB GLN 109 60.323 65.697 56.347 857 2HB GLN 109 1HB GLN 109 61.215 65.031 54.913 858 1HG GLN 109 2HG GLN 109 59.215 63.629 54.981 859 2HG GLN 109 1HG GLN 109 60.217 62.805 56.363 860 1HE2 GLN 109 2HE2 GLN 109 58.086 64.147 58.799 861 2HE2 GLN 109 1HE2 GLN 109 59.372 62.884 58.317 862 H TRP 110 H TRP 110 63.112 64.522 54.605 863 HA TRP 110 HA TRP 110 64.500 67.117 55.061 864 1HB TRP 110 2HB TRP 110 66.659 65.463 54.552 865 2HB TRP 110 1HB TRP 110 66.190 66.358 56.070 866 HD1 TRP 110 HD1 TRP 110 65.227 62.872 54.441 867 HE1 TRP 110 HE1 TRP 110 65.057 61.226 56.488 868 HE3 TRP 110 HE3 TRP 110 66.246 66.164 57.954 869 HZ2 TRP 110 HZ2 TRP 110 65.389 61.535 59.249 870 HZ3 TRP 110 HZ3 TRP 110 66.349 65.501 60.393 871 HH2 TRP 110 HH2 TRP 110 65.932 63.247 60.920 872 H VAL 111 H VAL 111 62.847 65.452 52.887 873 HA VAL 111 HA VAL 111 62.902 65.284 50.582 874 HB VAL 111 HB VAL 111 64.266 68.019 50.764 875 1HG1 VAL 111 1HG1 VAL 111 63.168 66.773 48.544 876 2HG1 VAL 111 3HG1 VAL 111 61.730 67.572 49.247 877 3HG1 VAL 111 2HG1 VAL 111 63.154 68.582 48.810 878 1HG2 VAL 111 1HG2 VAL 111 61.583 67.051 51.909 879 2HG2 VAL 111 3HG2 VAL 111 62.830 68.208 52.531 880 3HG2 VAL 111 2HG2 VAL 111 61.721 68.700 51.160 881 H GLU 112 H GLU 112 64.578 63.564 50.864 882 HA GLU 112 HA GLU 112 67.257 64.354 49.893 883 1HB GLU 112 2HB GLU 112 66.098 61.864 51.206 884 2HB GLU 112 1HB GLU 112 67.739 61.869 50.466 885 1HG GLU 112 2HG GLU 112 67.225 64.338 52.059 886 2HG GLU 112 1HG GLU 112 67.059 62.724 53.037 887 H GLY 113 H GLY 113 66.751 64.767 47.809 888 1HA GLY 113 1HA GLY 113 66.600 64.427 45.475 889 2HA GLY 113 2HA GLY 113 67.346 62.799 45.847 890 H ASP 114 H ASP 114 64.468 64.603 45.322 891 HA ASP 114 HA ASP 114 62.282 64.131 44.749 892 1HB ASP 114 2HB ASP 114 63.966 62.032 43.170 893 2HB ASP 114 1HB ASP 114 62.276 62.607 42.683 894 H LYS 115 H LYS 115 62.576 63.014 47.046 895 HA LYS 115 HA LYS 115 60.406 61.314 47.386 896 1HB LYS 115 2HB LYS 115 61.231 59.129 47.842 897 2HB LYS 115 1HB LYS 115 61.910 59.554 46.225 898 1HG LYS 115 2HG LYS 115 64.048 60.416 47.407 899 2HG LYS 115 1HG LYS 115 63.383 59.495 48.864 900 1HD LYS 115 2HD LYS 115 63.920 57.478 47.870 901 2HD LYS 115 1HD LYS 115 63.135 57.944 46.317 902 1HE LYS 115 2HE LYS 115 65.099 59.285 45.705 903 2HE LYS 115 1HE LYS 115 65.816 58.967 47.363 904 1HZ LYS 115 3HZ LYS 115 65.917 56.634 46.864 905 2HZ LYS 115 2HZ LYS 115 65.423 56.850 45.280 906 3HZ LYS 115 1HZ LYS 115 66.887 57.458 45.823 907 H LEU 116 H LEU 116 59.869 60.920 49.361 908 HA LEU 116 HA LEU 116 61.673 62.609 51.211 909 1HB LEU 116 2HB LEU 116 58.783 62.245 50.854 910 2HB LEU 116 1HB LEU 116 59.242 62.303 52.578 911 HG LEU 116 HG LEU 116 60.752 64.312 52.032 912 1HD1 LEU 116 1HD1 LEU 116 60.657 63.894 49.442 913 2HD1 LEU 116 3HD1 LEU 116 58.938 64.289 49.496 914 3HD1 LEU 116 2HD1 LEU 116 60.171 65.587 49.883 915 1HD2 LEU 116 3HD2 LEU 116 57.736 64.458 51.978 916 2HD2 LEU 116 2HD2 LEU 116 58.887 65.053 53.260 917 3HD2 LEU 116 1HD2 LEU 116 58.701 65.940 51.653 918 H TYR 117 H TYR 117 63.065 61.574 52.113 919 HA TYR 117 HA TYR 117 62.455 58.948 53.310 920 1HB TYR 117 2HB TYR 117 64.698 61.091 53.601 921 2HB TYR 117 1HB TYR 117 64.676 59.599 54.642 922 HD1 TYR 117 HD2 TYR 117 63.501 57.956 52.025 923 HD2 TYR 117 HD1 TYR 117 67.064 60.339 52.640 924 HE1 TYR 117 HE2 TYR 117 64.651 56.765 50.273 925 HE2 TYR 117 HE1 TYR 117 68.142 59.118 50.886 926 HH TYR 117 HH TYR 117 66.474 57.060 48.732 927 H LEU 118 H LEU 118 60.792 58.976 54.345 928 HA LEU 118 HA LEU 118 60.535 60.846 56.699 929 1HB LEU 118 2HB LEU 118 58.829 59.027 54.977 930 2HB LEU 118 1HB LEU 118 58.463 58.778 56.740 931 HG LEU 118 HG LEU 118 58.225 61.551 55.416 932 1HD1 LEU 118 2HD1 LEU 118 56.415 59.121 55.710 933 2HD1 LEU 118 1HD1 LEU 118 55.799 60.805 55.851 934 3HD1 LEU 118 3HD1 LEU 118 56.577 60.273 54.315 935 1HD2 LEU 118 3HD2 LEU 118 58.469 61.174 58.077 936 2HD2 LEU 118 2HD2 LEU 118 56.993 62.052 57.377 937 3HD2 LEU 118 1HD2 LEU 118 56.940 60.302 57.997 938 H GLU 119 H GLU 119 62.580 60.190 57.275 939 HA GLU 119 HA GLU 119 63.061 57.628 58.579 940 1HB GLU 119 2HB GLU 119 64.510 60.235 58.088 941 2HB GLU 119 1HB GLU 119 65.033 59.237 59.491 942 1HG GLU 119 2HG GLU 119 65.471 57.303 58.123 943 2HG GLU 119 1HG GLU 119 64.559 58.081 56.700 944 H LEU 120 H LEU 120 62.103 57.014 60.258 945 HA LEU 120 HA LEU 120 61.606 59.121 62.397 946 1HB LEU 120 2HB LEU 120 59.533 58.391 62.872 947 2HB LEU 120 1HB LEU 120 59.665 58.133 61.088 948 HG LEU 120 HG LEU 120 60.602 55.713 62.423 949 1HD1 LEU 120 2HD1 LEU 120 58.568 56.796 63.976 950 2HD1 LEU 120 1HD1 LEU 120 57.624 55.793 62.751 951 3HD1 LEU 120 3HD1 LEU 120 58.868 55.033 63.807 952 1HD2 LEU 120 1HD2 LEU 120 59.805 56.142 60.009 953 2HD2 LEU 120 3HD2 LEU 120 59.264 54.604 60.833 954 3HD2 LEU 120 2HD2 LEU 120 58.138 55.963 60.588 955 H THR 121 H THR 121 61.483 58.492 64.529 956 HA THR 121 HA THR 121 62.978 55.914 65.191 957 HB THR 121 HB THR 121 64.117 58.501 65.238 958 HG1 THR 121 1HG THR 121 65.829 57.204 65.973 959 1HG2 THR 121 3HG2 THR 121 63.625 57.261 68.145 960 2HG2 THR 121 2HG2 THR 121 64.859 58.521 67.697 961 3HG2 THR 121 1HG2 THR 121 63.133 58.952 67.631 962 H CYS 122 H CYS 122 62.583 55.296 67.490 963 HA CYS 122 HA CYS 122 60.356 56.516 68.925 964 1HB CYS 122 2HB CYS 122 59.268 53.950 68.487 965 2HB CYS 122 1HB CYS 122 58.758 55.329 67.567 966 HG CYS 122 HG CYS 122 59.292 52.961 66.278 967 H GLY 123 H GLY 123 62.351 56.453 70.052 968 1HA GLY 123 1HA GLY 123 62.881 55.669 72.321 969 2HA GLY 123 2HA GLY 123 62.598 53.975 71.744 970 H ASP 124 H ASP 124 63.808 53.572 69.553 971 HA ASP 124 HA ASP 124 66.298 54.466 68.754 972 1HB ASP 124 2HB ASP 124 67.003 53.825 71.273 973 2HB ASP 124 1HB ASP 124 66.592 52.110 70.800 974 H GLN 125 H GLN 125 64.160 53.647 67.599 975 HA GLN 125 HA GLN 125 65.038 50.801 66.809 976 1HB GLN 125 2HB GLN 125 62.362 51.969 67.448 977 2HB GLN 125 1HB GLN 125 62.390 50.897 66.013 978 1HG GLN 125 2HG GLN 125 63.895 49.961 68.471 979 2HG GLN 125 1HG GLN 125 62.070 50.020 68.449 980 1HE2 GLN 125 2HE2 GLN 125 64.136 47.204 66.301 981 2HE2 GLN 125 1HE2 GLN 125 64.826 48.395 67.565 982 H VAL 126 H VAL 126 65.400 53.769 66.101 983 HA VAL 126 HA VAL 126 65.064 55.115 64.057 984 HB VAL 126 HB VAL 126 67.349 54.786 64.903 985 1HG1 VAL 126 1HG1 VAL 126 66.982 52.097 63.933 986 2HG1 VAL 126 3HG1 VAL 126 68.111 52.812 62.767 987 3HG1 VAL 126 2HG1 VAL 126 68.553 52.831 64.582 988 1HG2 VAL 126 2HG2 VAL 126 66.687 55.093 61.945 989 2HG2 VAL 126 1HG2 VAL 126 67.424 56.206 63.137 990 3HG2 VAL 126 3HG2 VAL 126 68.432 54.908 62.358 991 H CYS 127 H CYS 127 63.159 53.993 63.126 992 HA CYS 127 HA CYS 127 63.496 51.940 61.090 993 1HB CYS 127 2HB CYS 127 61.351 54.219 61.349 994 2HB CYS 127 1HB CYS 127 61.155 52.753 60.367 995 HG CYS 127 HG CYS 127 61.586 51.144 62.635 996 H ARG 128 H ARG 128 64.002 51.884 59.038 997 HA ARG 128 HA ARG 128 64.672 54.703 57.973 998 1HB ARG 128 2HB ARG 128 66.236 52.438 58.376 999 2HB ARG 128 1HB ARG 128 65.855 52.311 56.619 1000 1HG ARG 128 2HG ARG 128 66.350 55.011 56.845 1001 2HG ARG 128 1HG ARG 128 67.467 54.400 58.119 1002 1HD ARG 128 2HD ARG 128 67.319 52.902 55.469 1003 2HD ARG 128 1HD ARG 128 68.054 54.586 55.406 1004 HE ARG 128 HE ARG 128 69.056 52.415 57.208 1005 1HH1 ARG 128 2HH1 ARG 128 69.799 55.063 54.812 1006 2HH1 ARG 128 1HH1 ARG 128 71.511 54.831 54.994 1007 1HH2 ARG 128 2HH2 ARG 128 71.365 52.228 57.356 1008 2HH2 ARG 128 1HH2 ARG 128 72.362 53.274 56.386 1009 H GLN 129 H GLN 129 62.642 55.286 57.076 1010 HA GLN 129 HA GLN 129 61.532 53.318 55.128 1011 1HB GLN 129 2HB GLN 129 60.711 56.216 55.479 1012 2HB GLN 129 1HB GLN 129 59.668 54.830 54.948 1013 1HG GLN 129 2HG GLN 129 60.710 54.109 57.533 1014 2HG GLN 129 1HG GLN 129 59.754 55.722 57.607 1015 1HE2 GLN 129 2HE2 GLN 129 56.745 54.123 57.536 1016 2HE2 GLN 129 1HE2 GLN 129 57.806 55.442 57.973 1017 H VAL 130 H VAL 130 61.033 53.740 52.872 1018 HA VAL 130 HA VAL 130 62.763 55.910 51.708 1019 HB VAL 130 HB VAL 130 62.718 52.907 50.809 1020 1HG1 VAL 130 3HG1 VAL 130 63.279 55.510 49.438 1021 2HG1 VAL 130 2HG1 VAL 130 64.617 54.246 49.184 1022 3HG1 VAL 130 1HG1 VAL 130 62.902 53.935 48.687 1023 1HG2 VAL 130 3HG2 VAL 130 64.801 54.534 52.249 1024 2HG2 VAL 130 2HG2 VAL 130 64.403 52.788 52.225 1025 3HG2 VAL 130 1HG2 VAL 130 65.289 53.516 50.799 1026 H PHE 131 H PHE 131 61.753 57.057 50.463 1027 HA PHE 131 HA PHE 131 59.093 56.194 49.338 1028 1HB PHE 131 2HB PHE 131 60.660 58.744 50.072 1029 2HB PHE 131 1HB PHE 131 59.256 58.843 48.913 1030 HD1 PHE 131 HD1 PHE 131 59.822 56.783 52.113 1031 HD2 PHE 131 HD2 PHE 131 57.535 59.758 49.955 1032 HE1 PHE 131 HE1 PHE 131 58.179 56.856 53.989 1033 HE2 PHE 131 HE2 PHE 131 55.917 59.772 51.876 1034 HZ PHE 131 HZ PHE 131 56.305 58.331 53.801 1035 H LYS 132 H LYS 132 58.505 57.658 47.553 1036 HA LYS 132 HA LYS 132 60.415 58.029 45.376 1037 1HB LYS 132 2HB LYS 132 59.883 55.837 44.555 1038 2HB LYS 132 1HB LYS 132 58.670 55.627 45.897 1039 1HG LYS 132 2HG LYS 132 57.834 55.383 43.511 1040 2HG LYS 132 1HG LYS 132 56.864 56.640 44.408 1041 1HD LYS 132 2HD LYS 132 57.335 58.106 42.906 1042 2HD LYS 132 1HD LYS 132 59.171 57.948 43.159 1043 1HE LYS 132 2HE LYS 132 58.475 57.727 40.824 1044 2HE LYS 132 1HE LYS 132 59.198 56.190 41.422 1045 1HZ LYS 132 2HZ LYS 132 56.296 56.581 41.764 1046 2HZ LYS 132 1HZ LYS 132 56.836 56.366 40.176 1047 3HZ LYS 132 3HZ LYS 132 57.022 55.159 41.264 1048 H LYS 133 H LYS 133 59.736 59.796 44.574 1049 HA LYS 133 HA LYS 133 57.164 61.033 45.426 1050 1HB LYS 133 2HB LYS 133 59.373 62.329 44.879 1051 2HB LYS 133 1HB LYS 133 58.989 61.873 43.162 1052 1HG LYS 133 2HG LYS 133 56.601 62.808 43.625 1053 2HG LYS 133 1HG LYS 133 57.278 63.533 45.144 1054 1HD LYS 133 2HD LYS 133 59.093 64.501 43.298 1055 2HD LYS 133 1HD LYS 133 57.550 64.387 42.283 1056 1HE LYS 133 2HE LYS 133 56.257 65.447 43.965 1057 2HE LYS 133 1HE LYS 133 57.740 65.742 45.014 1058 1HZ LYS 133 1HZ LYS 133 57.738 66.671 42.206 1059 2HZ LYS 133 3HZ LYS 133 56.955 67.582 43.331 1060 3HZ LYS 133 2HZ LYS 133 58.575 67.291 43.503 1061 H LYS 134 H LYS 134 55.436 60.409 44.730 1062 HA LYS 134 HA LYS 134 53.752 59.435 43.374 1063 1HB LYS 134 2HB LYS 134 53.688 61.952 43.005 1064 2HB LYS 134 1HB LYS 134 54.875 61.810 41.642 1065 1HG LYS 134 2HG LYS 134 53.118 60.328 40.512 1066 2HG LYS 134 1HG LYS 134 51.935 60.894 41.805 1067 1HD LYS 134 2HD LYS 134 53.652 62.633 39.905 1068 2HD LYS 134 1HD LYS 134 51.838 62.407 39.833 1069 1HE LYS 134 2HE LYS 134 51.818 63.022 42.304 1070 2HE LYS 134 1HE LYS 134 53.518 63.683 42.051 1071 1HZ LYS 134 2HZ LYS 134 51.820 64.734 40.006 1072 2HZ LYS 134 1HZ LYS 134 51.059 64.903 41.518 1073 3HZ LYS 134 3HZ LYS 134 52.595 65.517 41.192 No H/Q in entry = 1073 Start of MODEL 19 1 1H MET 1 3H MET 1 61.933 73.616 47.308 2 2H MET 1 2H MET 1 61.666 75.089 46.476 3 3H MET 1 1H MET 1 61.532 73.618 45.726 4 HA MET 1 HA MET 1 63.893 73.235 45.688 5 1HB MET 1 2HB MET 1 63.459 76.320 45.801 6 2HB MET 1 1HB MET 1 64.997 75.518 45.258 7 1HG MET 1 2HG MET 1 62.480 74.524 43.902 8 2HG MET 1 1HG MET 1 62.912 76.167 43.511 9 1HE MET 1 3HE MET 1 64.659 76.967 42.520 10 2HE MET 1 2HE MET 1 66.220 76.343 42.155 11 3HE MET 1 1HE MET 1 64.917 75.997 40.973 12 H THR 2 H THR 2 62.602 75.241 48.213 13 HA THR 2 HA THR 2 65.214 74.828 49.714 14 HB THR 2 HB THR 2 62.933 76.373 50.978 15 HG1 THR 2 1HG THR 2 63.934 78.125 49.377 16 1HG2 THR 2 1HG2 THR 2 66.010 76.618 50.501 17 2HG2 THR 2 3HG2 THR 2 65.176 78.108 51.024 18 3HG2 THR 2 2HG2 THR 2 65.110 76.646 52.053 19 H LYS 3 H LYS 3 61.618 74.597 50.193 20 HA LYS 3 HA LYS 3 62.243 72.804 52.554 21 1HB LYS 3 2HB LYS 3 59.529 73.630 51.516 22 2HB LYS 3 1HB LYS 3 59.916 73.090 53.198 23 1HG LYS 3 2HG LYS 3 61.657 75.275 52.841 24 2HG LYS 3 1HG LYS 3 60.333 75.686 51.687 25 1HD LYS 3 2HD LYS 3 58.709 75.739 53.452 26 2HD LYS 3 1HD LYS 3 59.714 74.626 54.481 27 1HE LYS 3 2HE LYS 3 60.536 77.497 53.744 28 2HE LYS 3 1HE LYS 3 59.536 77.062 55.252 29 1HZ LYS 3 3HZ LYS 3 61.411 75.448 55.724 30 2HZ LYS 3 2HZ LYS 3 62.377 76.357 54.685 31 3HZ LYS 3 1HZ LYS 3 61.738 77.038 56.038 32 H ASP 4 H ASP 4 59.376 71.453 51.936 33 HA ASP 4 HA ASP 4 60.721 69.191 50.612 34 1HB ASP 4 2HB ASP 4 57.747 69.583 51.579 35 2HB ASP 4 1HB ASP 4 58.534 68.092 50.890 36 H GLN 5 H GLN 5 57.275 70.117 49.695 37 HA GLN 5 HA GLN 5 57.903 71.727 47.497 38 1HB GLN 5 2HB GLN 5 57.293 69.592 45.868 39 2HB GLN 5 1HB GLN 5 59.092 69.896 46.295 40 1HG GLN 5 2HG GLN 5 59.232 68.270 47.753 41 2HG GLN 5 1HG GLN 5 57.372 68.120 48.010 42 1HE2 GLN 5 1HE2 GLN 5 59.360 66.158 45.011 43 2HE2 GLN 5 2HE2 GLN 5 60.134 67.173 46.276 44 H ASN 6 H ASN 6 55.845 68.930 47.078 45 HA ASN 6 HA ASN 6 53.604 69.413 48.360 46 1HB ASN 6 2HB ASN 6 53.426 71.875 47.531 47 2HB ASN 6 1HB ASN 6 53.514 71.215 45.799 48 1HD2 ASN 6 2HD2 ASN 6 50.048 70.536 47.860 49 2HD2 ASN 6 1HD2 ASN 6 51.680 70.714 48.768 50 H GLY 7 H GLY 7 52.665 67.558 47.974 51 1HA GLY 7 1HA GLY 7 51.493 66.826 45.505 52 2HA GLY 7 2HA GLY 7 53.116 66.051 45.597 53 H THR 8 H THR 8 52.521 64.022 45.738 54 HA THR 8 HA THR 8 51.442 62.997 48.253 55 HB THR 8 HB THR 8 50.091 62.274 45.510 56 HG1 THR 8 1HG THR 8 48.350 63.050 46.844 57 1HG2 THR 8 3HG2 THR 8 50.077 61.358 48.463 58 2HG2 THR 8 2HG2 THR 8 48.655 61.060 47.436 59 3HG2 THR 8 1HG2 THR 8 50.217 60.266 46.982 60 H TRP 9 H TRP 9 52.136 60.942 48.504 61 HA TRP 9 HA TRP 9 54.044 59.900 46.482 62 1HB TRP 9 2HB TRP 9 55.151 59.939 49.271 63 2HB TRP 9 1HB TRP 9 56.108 59.885 47.775 64 HD1 TRP 9 HD1 TRP 9 53.536 62.416 49.263 65 HE1 TRP 9 HE1 TRP 9 54.334 64.804 49.361 66 HE3 TRP 9 HE3 TRP 9 57.973 61.528 47.327 67 HZ2 TRP 9 HZ2 TRP 9 56.665 66.022 48.645 68 HZ3 TRP 9 HZ3 TRP 9 59.547 63.449 47.041 69 HH2 TRP 9 HH2 TRP 9 58.916 65.619 47.690 70 H GLU 10 H GLU 10 53.802 57.956 46.014 71 HA GLU 10 HA GLU 10 52.050 56.235 47.551 72 1HB GLU 10 2HB GLU 10 53.983 55.651 45.169 73 2HB GLU 10 1HB GLU 10 52.727 54.519 45.893 74 1HG GLU 10 2HG GLU 10 51.430 57.061 45.429 75 2HG GLU 10 1HG GLU 10 52.404 56.583 43.935 76 H MET 11 H MET 11 55.210 56.951 48.034 77 HA MET 11 HA MET 11 56.788 56.242 49.600 78 1HB MET 11 2HB MET 11 54.419 54.718 50.312 79 2HB MET 11 1HB MET 11 55.744 53.492 50.136 80 1HG MET 11 2HG MET 11 56.994 54.290 51.971 81 2HG MET 11 1HG MET 11 56.432 55.912 51.701 82 1HE MET 11 2HE MET 11 53.727 56.297 51.795 83 2HE MET 11 1HE MET 11 52.779 54.759 51.711 84 3HE MET 11 3HE MET 11 52.763 55.798 53.189 85 H GLU 12 H GLU 12 55.790 53.090 48.296 86 HA GLU 12 HA GLU 12 56.681 52.137 46.233 87 1HB GLU 12 2HB GLU 12 59.272 53.569 47.045 88 2HB GLU 12 1HB GLU 12 59.342 51.830 46.650 89 1HG GLU 12 2HG GLU 12 57.590 53.540 44.828 90 2HG GLU 12 1HG GLU 12 59.498 53.692 44.778 91 H SER 13 H SER 13 57.541 52.427 49.511 92 HA SER 13 HA SER 13 56.784 49.819 50.422 93 1HB SER 13 2HB SER 13 59.297 49.038 50.807 94 2HB SER 13 1HB SER 13 58.610 48.764 49.077 95 HG SER 13 HG SER 13 60.267 49.847 48.611 96 H ASN 14 H ASN 14 57.450 49.297 52.405 97 HA ASN 14 HA ASN 14 58.746 51.480 53.979 98 1HB ASN 14 2HB ASN 14 57.155 50.584 55.888 99 2HB ASN 14 1HB ASN 14 56.464 51.598 54.511 100 1HD2 ASN 14 2HD2 ASN 14 55.210 47.770 55.164 101 2HD2 ASN 14 1HD2 ASN 14 56.262 48.841 56.303 102 H GLU 15 H GLU 15 60.139 51.140 55.469 103 HA GLU 15 HA GLU 15 61.097 48.388 55.474 104 1HB GLU 15 2HB GLU 15 62.239 50.844 57.014 105 2HB GLU 15 1HB GLU 15 63.201 49.427 56.501 106 1HG GLU 15 2HG GLU 15 62.271 50.046 54.028 107 2HG GLU 15 1HG GLU 15 62.121 51.710 54.866 108 H ASN 16 H ASN 16 62.300 49.190 58.408 109 HA ASN 16 HA ASN 16 60.964 47.492 59.975 110 1HB ASN 16 2HB ASN 16 62.935 48.611 60.808 111 2HB ASN 16 1HB ASN 16 62.082 50.267 60.572 112 1HD2 ASN 16 1HD2 ASN 16 61.254 50.118 63.981 113 2HD2 ASN 16 2HD2 ASN 16 62.025 51.030 62.478 114 H PHE 17 H PHE 17 58.819 47.332 59.819 115 HA PHE 17 HA PHE 17 57.198 49.712 60.725 116 1HB PHE 17 2HB PHE 17 55.971 49.354 58.919 117 2HB PHE 17 1HB PHE 17 57.025 47.881 58.519 118 HD1 PHE 17 HD2 PHE 17 56.311 45.705 59.233 119 HD2 PHE 17 HD1 PHE 17 53.821 49.071 59.992 120 HE1 PHE 17 HE2 PHE 17 54.491 44.132 59.728 121 HE2 PHE 17 HE1 PHE 17 51.962 47.502 60.487 122 HZ PHE 17 HZ PHE 17 52.246 44.985 60.370 123 H GLU 18 H GLU 18 57.795 46.287 61.033 124 HA GLU 18 HA GLU 18 55.737 45.866 63.130 125 1HB GLU 18 2HB GLU 18 56.323 43.642 62.871 126 2HB GLU 18 1HB GLU 18 57.230 44.267 61.414 127 1HG GLU 18 2HG GLU 18 58.701 42.840 62.558 128 2HG GLU 18 1HG GLU 18 59.277 44.520 63.127 129 H GLY 19 H GLY 19 59.104 46.722 63.074 130 1HA GLY 19 1HA GLY 19 59.356 46.070 65.981 131 2HA GLY 19 2HA GLY 19 60.612 46.891 64.997 132 H TYR 20 H TYR 20 58.323 48.751 63.980 133 HA TYR 20 HA TYR 20 58.708 50.761 66.055 134 1HB TYR 20 2HB TYR 20 58.452 51.704 63.929 135 2HB TYR 20 1HB TYR 20 57.237 50.509 63.365 136 HD1 TYR 20 HD2 TYR 20 57.691 53.207 65.855 137 HD2 TYR 20 HD1 TYR 20 55.075 51.126 63.193 138 HE1 TYR 20 HE2 TYR 20 55.968 54.886 66.384 139 HE2 TYR 20 HE1 TYR 20 53.273 52.787 63.682 140 HH TYR 20 HH TYR 20 53.574 55.074 66.312 141 H MET 21 H MET 21 56.428 48.124 65.426 142 HA MET 21 HA MET 21 54.334 49.431 66.983 143 1HB MET 21 2HB MET 21 54.933 46.856 65.391 144 2HB MET 21 1HB MET 21 53.942 46.596 66.816 145 1HG MET 21 2HG MET 21 52.122 47.678 65.932 146 2HG MET 21 1HG MET 21 53.051 49.091 65.435 147 1HE MET 21 1HE MET 21 51.830 45.495 64.471 148 2HE MET 21 3HE MET 21 52.850 45.071 63.005 149 3HE MET 21 2HE MET 21 53.669 45.287 64.469 150 H LYS 22 H LYS 22 56.917 47.305 67.249 151 HA LYS 22 HA LYS 22 56.503 46.354 69.955 152 1HB LYS 22 2HB LYS 22 58.802 46.274 67.848 153 2HB LYS 22 1HB LYS 22 59.078 45.732 69.568 154 1HG LYS 22 2HG LYS 22 56.571 44.648 68.928 155 2HG LYS 22 1HG LYS 22 57.580 44.323 67.439 156 1HD LYS 22 2HD LYS 22 58.471 43.899 70.340 157 2HD LYS 22 1HD LYS 22 57.948 42.514 69.289 158 1HE LYS 22 2HE LYS 22 59.776 43.822 67.562 159 2HE LYS 22 1HE LYS 22 60.451 44.268 69.159 160 1HZ LYS 22 3HZ LYS 22 59.832 41.415 68.511 161 2HZ LYS 22 2HZ LYS 22 61.307 42.112 68.181 162 3HZ LYS 22 1HZ LYS 22 60.713 42.073 69.756 163 H ALA 23 H ALA 23 58.002 48.988 68.531 164 HA ALA 23 HA ALA 23 59.782 49.547 70.746 165 1HB ALA 23 1HB ALA 23 59.006 50.809 68.192 166 2HB ALA 23 3HB ALA 23 59.010 52.052 69.516 167 3HB ALA 23 2HB ALA 23 60.536 51.050 69.099 168 H LEU 24 H LEU 24 56.525 50.146 69.999 169 HA LEU 24 HA LEU 24 56.066 51.938 72.388 170 1HB LEU 24 2HB LEU 24 53.762 50.612 70.855 171 2HB LEU 24 1HB LEU 24 53.843 52.237 71.547 172 HG LEU 24 HG LEU 24 54.681 51.230 68.806 173 1HD1 LEU 24 2HD1 LEU 24 52.605 52.732 69.568 174 2HD1 LEU 24 1HD1 LEU 24 53.813 54.002 69.719 175 3HD1 LEU 24 3HD1 LEU 24 53.597 53.206 68.082 176 1HD2 LEU 24 1HD2 LEU 24 56.493 53.056 70.419 177 2HD2 LEU 24 3HD2 LEU 24 56.808 52.068 68.981 178 3HD2 LEU 24 2HD2 LEU 24 56.006 53.704 68.797 179 H ASP 25 H ASP 25 55.891 48.735 71.197 180 HA ASP 25 HA ASP 25 55.348 46.657 72.205 181 1HB ASP 25 2HB ASP 25 56.710 47.753 74.108 182 2HB ASP 25 1HB ASP 25 55.112 48.331 74.807 183 H ILE 26 H ILE 26 53.670 47.116 70.774 184 HA ILE 26 HA ILE 26 51.143 47.836 72.156 185 HB ILE 26 HB ILE 26 51.729 49.209 70.308 186 1HG1 ILE 26 2HG1 ILE 26 49.332 47.394 70.124 187 2HG1 ILE 26 1HG1 ILE 26 49.532 49.105 70.770 188 1HG2 ILE 26 2HG2 ILE 26 52.833 47.126 68.908 189 2HG2 ILE 26 1HG2 ILE 26 51.124 46.868 68.372 190 3HG2 ILE 26 3HG2 ILE 26 52.018 48.430 67.977 191 1HD1 ILE 26 2HD1 ILE 26 50.243 49.233 67.905 192 2HD1 ILE 26 1HD1 ILE 26 48.756 48.196 68.035 193 3HD1 ILE 26 3HD1 ILE 26 48.765 49.858 68.673 194 H ASP 27 H ASP 27 52.285 45.411 69.655 195 HA ASP 27 HA ASP 27 50.885 43.411 71.139 196 1HB ASP 27 2HB ASP 27 49.059 44.937 69.727 197 2HB ASP 27 1HB ASP 27 49.568 43.715 68.431 198 H PHE 28 H PHE 28 53.434 43.741 69.916 199 HA PHE 28 HA PHE 28 54.396 42.798 67.763 200 1HB PHE 28 2HB PHE 28 55.426 40.751 69.540 201 2HB PHE 28 1HB PHE 28 56.062 42.425 69.177 202 HD1 PHE 28 HD1 PHE 28 53.655 40.503 71.413 203 HD2 PHE 28 HD2 PHE 28 56.105 43.975 70.785 204 HE1 PHE 28 HE1 PHE 28 53.234 41.252 73.841 205 HE2 PHE 28 HE2 PHE 28 55.727 44.720 73.095 206 HZ PHE 28 HZ PHE 28 54.240 43.290 74.624 207 H ALA 29 H ALA 29 54.385 41.455 66.270 208 HA ALA 29 HA ALA 29 54.249 39.531 65.037 209 1HB ALA 29 3HB ALA 29 54.259 38.233 67.528 210 2HB ALA 29 2HB ALA 29 52.453 38.241 67.176 211 3HB ALA 29 1HB ALA 29 53.553 37.358 66.063 212 H THR 30 H THR 30 53.395 41.235 64.297 213 HA THR 30 HA THR 30 50.499 40.810 63.681 214 HB THR 30 HB THR 30 52.104 43.269 64.314 215 HG1 THR 30 1HG THR 30 50.245 43.641 65.386 216 1HG2 THR 30 1HG2 THR 30 49.723 42.878 62.329 217 2HG2 THR 30 3HG2 THR 30 50.010 44.468 63.258 218 3HG2 THR 30 2HG2 THR 30 51.208 43.910 62.029 219 H ARG 31 H ARG 31 53.638 41.986 62.513 220 HA ARG 31 HA ARG 31 53.137 42.474 59.825 221 1HB ARG 31 2HB ARG 31 55.431 42.249 59.336 222 2HB ARG 31 1HB ARG 31 55.305 42.809 61.051 223 1HG ARG 31 2HG ARG 31 55.872 39.813 60.253 224 2HG ARG 31 1HG ARG 31 57.110 41.058 60.600 225 1HD ARG 31 2HD ARG 31 55.400 41.306 62.818 226 2HD ARG 31 1HD ARG 31 55.340 39.521 62.472 227 HE ARG 31 HE ARG 31 57.608 41.214 63.238 228 1HH1 ARG 31 2HH1 ARG 31 56.525 37.944 62.252 229 2HH1 ARG 31 1HH1 ARG 31 58.015 37.125 62.827 230 1HH2 ARG 31 2HH2 ARG 31 59.409 40.166 63.952 231 2HH2 ARG 31 1HH2 ARG 31 59.713 38.417 63.839 232 H LYS 32 H LYS 32 52.118 41.414 58.375 233 HA LYS 32 HA LYS 32 52.791 38.740 57.594 234 1HB LYS 32 2HB LYS 32 51.817 38.094 59.680 235 2HB LYS 32 1HB LYS 32 50.455 39.260 59.511 236 1HG LYS 32 2HG LYS 32 49.191 37.589 58.338 237 2HG LYS 32 1HG LYS 32 50.623 37.214 57.296 238 1HD LYS 32 2HD LYS 32 51.686 35.858 59.069 239 2HD LYS 32 1HD LYS 32 50.349 36.328 60.185 240 1HE LYS 32 2HE LYS 32 48.732 34.995 58.993 241 2HE LYS 32 1HE LYS 32 49.695 34.989 57.474 242 1HZ LYS 32 3HZ LYS 32 51.420 33.760 58.788 243 2HZ LYS 32 2HZ LYS 32 50.300 33.459 59.974 244 3HZ LYS 32 1HZ LYS 32 50.055 32.850 58.472 245 H ILE 33 H ILE 33 50.085 40.973 58.185 246 HA ILE 33 HA ILE 33 49.539 40.844 55.247 247 HB ILE 33 HB ILE 33 47.071 41.740 56.477 248 1HG1 ILE 33 2HG1 ILE 33 46.371 39.653 57.730 249 2HG1 ILE 33 1HG1 ILE 33 48.046 39.019 57.587 250 1HG2 ILE 33 2HG2 ILE 33 48.156 39.373 54.945 251 2HG2 ILE 33 1HG2 ILE 33 46.451 39.254 55.547 252 3HG2 ILE 33 3HG2 ILE 33 46.977 40.562 54.368 253 1HD1 ILE 33 3HD1 ILE 33 48.059 41.808 58.719 254 2HD1 ILE 33 2HD1 ILE 33 46.856 40.771 59.630 255 3HD1 ILE 33 1HD1 ILE 33 48.593 40.299 59.524 256 H ALA 34 H ALA 34 50.312 42.903 57.876 257 HA ALA 34 HA ALA 34 49.138 45.292 56.427 258 1HB ALA 34 3HB ALA 34 49.164 44.754 59.209 259 2HB ALA 34 2HB ALA 34 50.669 45.729 58.882 260 3HB ALA 34 1HB ALA 34 49.076 46.388 58.406 261 H VAL 35 H VAL 35 51.400 43.498 55.768 262 HA VAL 35 HA VAL 35 53.874 44.762 56.051 263 HB VAL 35 HB VAL 35 52.840 43.429 53.469 264 1HG1 VAL 35 2HG1 VAL 35 55.548 44.606 54.386 265 2HG1 VAL 35 1HG1 VAL 35 55.545 43.100 53.425 266 3HG1 VAL 35 3HG1 VAL 35 54.737 44.595 52.756 267 1HG2 VAL 35 2HG2 VAL 35 53.961 42.402 56.079 268 2HG2 VAL 35 1HG2 VAL 35 52.874 41.594 54.844 269 3HG2 VAL 35 3HG2 VAL 35 54.676 41.731 54.558 270 H ARG 36 H ARG 36 51.241 45.240 54.074 271 HA ARG 36 HA ARG 36 51.547 48.079 53.551 272 1HB ARG 36 2HB ARG 36 53.202 47.474 51.863 273 2HB ARG 36 1HB ARG 36 52.075 46.158 51.248 274 1HG ARG 36 2HG ARG 36 51.703 47.791 49.648 275 2HG ARG 36 1HG ARG 36 50.430 48.304 50.784 276 1HD ARG 36 2HD ARG 36 51.383 50.315 50.705 277 2HD ARG 36 1HD ARG 36 52.582 49.710 51.885 278 HE ARG 36 HE ARG 36 54.190 49.729 50.107 279 1HH1 ARG 36 1HH1 ARG 36 50.818 49.857 48.907 280 2HH1 ARG 36 2HH1 ARG 36 51.305 50.142 47.228 281 1HH2 ARG 36 2HH2 ARG 36 54.775 50.144 47.734 282 2HH2 ARG 36 1HH2 ARG 36 53.396 50.285 46.653 283 H LEU 37 H LEU 37 50.137 49.032 52.613 284 HA LEU 37 HA LEU 37 48.175 48.733 51.052 285 1HB LEU 37 2HB LEU 37 46.125 47.832 52.018 286 2HB LEU 37 1HB LEU 37 47.363 46.547 52.223 287 HG LEU 37 HG LEU 37 46.791 48.658 54.338 288 1HD1 LEU 37 2HD1 LEU 37 45.147 46.468 53.261 289 2HD1 LEU 37 1HD1 LEU 37 45.498 46.107 54.961 290 3HD1 LEU 37 3HD1 LEU 37 44.676 47.702 54.502 291 1HD2 LEU 37 2HD2 LEU 37 47.994 45.806 54.456 292 2HD2 LEU 37 1HD2 LEU 37 48.901 47.377 54.836 293 3HD2 LEU 37 3HD2 LEU 37 47.565 46.826 55.878 294 H THR 38 H THR 38 49.449 49.772 54.078 295 HA THR 38 HA THR 38 47.889 51.877 54.911 296 HB THR 38 HB THR 38 50.836 51.329 54.325 297 HG1 THR 38 1HG THR 38 49.268 51.299 56.633 298 1HG2 THR 38 1HG2 THR 38 49.645 53.906 55.272 299 2HG2 THR 38 3HG2 THR 38 50.724 53.200 56.548 300 3HG2 THR 38 2HG2 THR 38 51.407 53.633 54.940 301 H GLN 39 H GLN 39 49.681 51.484 51.903 302 HA GLN 39 HA GLN 39 50.136 52.781 50.146 303 1HB GLN 39 2HB GLN 39 48.216 52.820 49.010 304 2HB GLN 39 1HB GLN 39 47.499 52.095 50.523 305 1HG GLN 39 2HG GLN 39 47.311 54.724 51.192 306 2HG GLN 39 1HG GLN 39 47.374 54.957 49.389 307 1HE2 GLN 39 2HE2 GLN 39 44.108 54.570 48.977 308 2HE2 GLN 39 1HE2 GLN 39 45.594 55.525 48.935 309 H THR 40 H THR 40 49.194 54.661 49.012 310 HA THR 40 HA THR 40 50.663 56.767 48.812 311 HB THR 40 HB THR 40 47.608 56.887 49.059 312 HG1 THR 40 1HG THR 40 48.685 56.927 46.561 313 1HG2 THR 40 1HG2 THR 40 49.670 58.959 48.379 314 2HG2 THR 40 3HG2 THR 40 48.426 58.795 47.068 315 3HG2 THR 40 2HG2 THR 40 47.928 59.149 48.791 316 H LYS 41 H LYS 41 51.721 57.328 50.523 317 HA LYS 41 HA LYS 41 50.270 58.684 52.766 318 1HB LYS 41 2HB LYS 41 52.499 58.106 53.497 319 2HB LYS 41 1HB LYS 41 53.093 58.195 51.768 320 1HG LYS 41 2HG LYS 41 52.482 60.789 53.357 321 2HG LYS 41 1HG LYS 41 54.006 59.869 53.573 322 1HD LYS 41 2HD LYS 41 54.003 59.926 50.859 323 2HD LYS 41 1HD LYS 41 52.861 61.287 51.091 324 1HE LYS 41 2HE LYS 41 55.831 61.260 51.444 325 2HE LYS 41 1HE LYS 41 54.653 62.662 51.308 326 1HZ LYS 41 3HZ LYS 41 54.158 62.158 53.705 327 2HZ LYS 41 2HZ LYS 41 55.427 61.132 53.736 328 3HZ LYS 41 1HZ LYS 41 55.638 62.803 53.408 329 H ILE 42 H ILE 42 50.433 61.210 52.983 330 HA ILE 42 HA ILE 42 50.906 62.473 50.256 331 HB ILE 42 HB ILE 42 48.334 62.685 51.999 332 1HG1 ILE 42 2HG1 ILE 42 48.284 62.389 49.083 333 2HG1 ILE 42 1HG1 ILE 42 48.919 60.930 50.004 334 1HG2 ILE 42 1HG2 ILE 42 49.244 64.414 49.575 335 2HG2 ILE 42 3HG2 ILE 42 47.568 64.315 50.224 336 3HG2 ILE 42 2HG2 ILE 42 48.884 64.951 51.257 337 1HD1 ILE 42 2HD1 ILE 42 46.338 62.428 50.904 338 2HD1 ILE 42 1HD1 ILE 42 46.238 61.194 49.625 339 3HD1 ILE 42 3HD1 ILE 42 46.882 60.711 51.220 340 H ILE 43 H ILE 43 50.996 64.831 50.337 341 HA ILE 43 HA ILE 43 51.819 65.899 53.033 342 HB ILE 43 HB ILE 43 53.624 64.932 51.459 343 1HG1 ILE 43 2HG1 ILE 43 54.032 67.803 52.530 344 2HG1 ILE 43 1HG1 ILE 43 53.763 66.363 53.664 345 1HG2 ILE 43 2HG2 ILE 43 52.846 66.316 49.463 346 2HG2 ILE 43 1HG2 ILE 43 53.187 67.874 50.407 347 3HG2 ILE 43 3HG2 ILE 43 54.552 66.783 49.938 348 1HD1 ILE 43 2HD1 ILE 43 55.814 66.450 51.375 349 2HD1 ILE 43 1HD1 ILE 43 56.212 67.036 53.072 350 3HD1 ILE 43 3HD1 ILE 43 55.787 65.303 52.687 351 H VAL 44 H VAL 44 51.555 68.074 53.202 352 HA VAL 44 HA VAL 44 50.089 69.272 50.748 353 HB VAL 44 HB VAL 44 49.396 69.392 53.669 354 1HG1 VAL 44 1HG1 VAL 44 48.818 71.486 51.536 355 2HG1 VAL 44 3HG1 VAL 44 47.533 71.058 52.761 356 3HG1 VAL 44 2HG1 VAL 44 49.122 71.562 53.373 357 1HG2 VAL 44 1HG2 VAL 44 48.420 67.573 52.004 358 2HG2 VAL 44 3HG2 VAL 44 47.100 68.567 52.733 359 3HG2 VAL 44 2HG2 VAL 44 47.765 68.958 51.074 360 H GLN 45 H GLN 45 51.708 70.287 53.892 361 HA GLN 45 HA GLN 45 52.292 72.329 54.514 362 1HB GLN 45 2HB GLN 45 54.504 72.878 53.714 363 2HB GLN 45 1HB GLN 45 54.406 71.037 53.692 364 1HG GLN 45 2HG GLN 45 55.276 71.387 51.573 365 2HG GLN 45 1HG GLN 45 53.449 71.808 51.274 366 1HE2 GLN 45 2HE2 GLN 45 54.704 74.778 49.952 367 2HE2 GLN 45 1HE2 GLN 45 53.791 73.156 49.788 368 H ASP 46 H ASP 46 51.107 73.879 54.515 369 HA ASP 46 HA ASP 46 51.091 75.623 52.063 370 1HB ASP 46 2HB ASP 46 48.949 74.198 53.367 371 2HB ASP 46 1HB ASP 46 48.571 76.001 53.456 372 H GLY 47 H GLY 47 52.924 76.100 53.725 373 1HA GLY 47 1HA GLY 47 53.888 77.864 55.004 374 2HA GLY 47 2HA GLY 47 52.472 78.872 54.442 375 H ASP 48 H ASP 48 54.016 77.148 56.862 376 HA ASP 48 HA ASP 48 53.827 77.253 59.186 377 1HB ASP 48 2HB ASP 48 52.196 79.441 58.389 378 2HB ASP 48 1HB ASP 48 51.079 78.382 59.521 379 H ASN 49 H ASN 49 50.639 76.876 57.748 380 HA ASN 49 HA ASN 49 50.066 74.462 59.466 381 1HB ASN 49 2HB ASN 49 47.927 75.307 59.268 382 2HB ASN 49 1HB ASN 49 48.379 76.356 57.795 383 1HD2 ASN 49 2HD2 ASN 49 47.060 74.050 55.551 384 2HD2 ASN 49 1HD2 ASN 49 47.724 75.755 56.000 385 H PHE 50 H PHE 50 50.486 72.592 58.973 386 HA PHE 50 HA PHE 50 50.935 71.789 56.148 387 1HB PHE 50 2HB PHE 50 53.118 72.123 57.156 388 2HB PHE 50 1HB PHE 50 52.619 71.251 58.671 389 HD1 PHE 50 HD2 PHE 50 51.827 68.803 58.370 390 HD2 PHE 50 HD1 PHE 50 54.191 70.945 55.549 391 HE1 PHE 50 HE2 PHE 50 52.522 66.646 57.495 392 HE2 PHE 50 HE1 PHE 50 54.946 68.680 54.576 393 HZ PHE 50 HZ PHE 50 54.138 66.650 55.524 394 H LYS 51 H LYS 51 50.277 69.764 55.388 395 HA LYS 51 HA LYS 51 49.309 68.025 57.580 396 1HB LYS 51 2HB LYS 51 47.465 68.778 55.210 397 2HB LYS 51 1HB LYS 51 47.143 67.562 56.508 398 1HG LYS 51 2HG LYS 51 46.973 69.245 58.243 399 2HG LYS 51 1HG LYS 51 47.619 70.554 57.202 400 1HD LYS 51 2HD LYS 51 45.734 69.575 55.574 401 2HD LYS 51 1HD LYS 51 44.970 69.016 57.119 402 1HE LYS 51 2HE LYS 51 44.855 71.294 57.983 403 2HE LYS 51 1HE LYS 51 45.851 71.919 56.544 404 1HZ LYS 51 2HZ LYS 51 43.278 70.618 56.027 405 2HZ LYS 51 1HZ LYS 51 43.274 72.141 56.703 406 3HZ LYS 51 3HZ LYS 51 44.018 71.946 55.244 407 H THR 52 H THR 52 50.586 66.317 57.212 408 HA THR 52 HA THR 52 50.582 65.249 54.390 409 HB THR 52 HB THR 52 52.284 64.881 56.878 410 HG1 THR 52 1HG THR 52 53.241 63.811 54.803 411 1HG2 THR 52 2HG2 THR 52 50.931 62.581 56.871 412 2HG2 THR 52 1HG2 THR 52 51.541 62.286 55.195 413 3HG2 THR 52 3HG2 THR 52 52.701 62.431 56.575 414 H LYS 53 H LYS 53 49.855 62.925 53.969 415 HA LYS 53 HA LYS 53 47.897 62.126 56.071 416 1HB LYS 53 2HB LYS 53 46.318 63.671 55.238 417 2HB LYS 53 1HB LYS 53 47.228 63.808 53.677 418 1HG LYS 53 2HG LYS 53 46.036 61.862 52.821 419 2HG LYS 53 1HG LYS 53 45.351 61.538 54.513 420 1HD LYS 53 2HD LYS 53 44.109 63.436 54.565 421 2HD LYS 53 1HD LYS 53 45.080 64.194 53.165 422 1HE LYS 53 2HE LYS 53 44.022 62.697 51.518 423 2HE LYS 53 1HE LYS 53 43.065 61.881 52.887 424 1HZ LYS 53 2HZ LYS 53 42.875 64.777 52.461 425 2HZ LYS 53 1HZ LYS 53 42.093 63.800 51.411 426 3HZ LYS 53 3HZ LYS 53 41.751 63.714 53.083 427 H THR 54 H THR 54 47.287 60.259 56.046 428 HA THR 54 HA THR 54 48.446 58.444 54.044 429 HB THR 54 HB THR 54 46.853 57.581 56.479 430 HG1 THR 54 1HG THR 54 49.345 58.760 56.291 431 1HG2 THR 54 3HG2 THR 54 48.034 55.878 54.635 432 2HG2 THR 54 2HG2 THR 54 49.450 56.229 55.672 433 3HG2 THR 54 1HG2 THR 54 47.979 55.524 56.422 434 H ASN 55 H ASN 55 47.281 57.535 52.353 435 HA ASN 55 HA ASN 55 44.291 57.907 52.557 436 1HB ASN 55 2HB ASN 55 45.984 58.863 50.645 437 2HB ASN 55 1HB ASN 55 45.322 57.316 49.848 438 1HD2 ASN 55 1HD2 ASN 55 41.858 58.669 50.557 439 2HD2 ASN 55 2HD2 ASN 55 42.895 57.205 51.103 440 H SER 56 H SER 56 46.133 55.763 53.430 441 HA SER 56 HA SER 56 45.970 53.181 52.476 442 1HB SER 56 2HB SER 56 46.164 52.485 54.623 443 2HB SER 56 1HB SER 56 46.620 54.313 54.845 444 HG SER 56 HG SER 56 44.661 54.661 55.616 445 H THR 57 H THR 57 44.836 51.498 53.274 446 HA THR 57 HA THR 57 41.797 51.803 53.137 447 HB THR 57 HB THR 57 41.573 49.888 51.908 448 HG1 THR 57 1HG THR 57 44.066 48.830 52.699 449 1HG2 THR 57 1HG2 THR 57 44.481 50.716 51.335 450 2HG2 THR 57 3HG2 THR 57 43.467 49.561 50.299 451 3HG2 THR 57 2HG2 THR 57 42.994 51.287 50.462 452 H PHE 58 H PHE 58 44.224 51.895 54.990 453 HA PHE 58 HA PHE 58 43.053 50.233 57.199 454 1HB PHE 58 2HB PHE 58 45.913 50.604 56.441 455 2HB PHE 58 1HB PHE 58 45.527 50.691 58.224 456 HD1 PHE 58 HD2 PHE 58 43.216 48.532 56.269 457 HD2 PHE 58 HD1 PHE 58 47.088 48.735 58.250 458 HE1 PHE 58 HE2 PHE 58 43.308 46.112 56.365 459 HE2 PHE 58 HE1 PHE 58 47.121 46.209 58.303 460 HZ PHE 58 HZ PHE 58 45.263 45.016 57.345 461 H ARG 59 H ARG 59 45.693 52.567 57.177 462 HA ARG 59 HA ARG 59 44.341 54.080 59.484 463 1HB ARG 59 2HB ARG 59 47.172 53.481 58.658 464 2HB ARG 59 1HB ARG 59 46.789 55.043 59.536 465 1HG ARG 59 2HG ARG 59 45.326 53.070 60.937 466 2HG ARG 59 1HG ARG 59 46.910 52.229 60.446 467 1HD ARG 59 2HD ARG 59 48.242 53.620 61.676 468 2HD ARG 59 1HD ARG 59 47.111 55.005 61.573 469 HE ARG 59 HE ARG 59 45.838 52.818 62.999 470 1HH1 ARG 59 2HH1 ARG 59 48.531 55.207 63.289 471 2HH1 ARG 59 1HH1 ARG 59 48.480 55.294 65.008 472 1HH2 ARG 59 2HH2 ARG 59 45.818 52.985 65.364 473 2HH2 ARG 59 1HH2 ARG 59 46.963 54.033 66.126 474 H ASN 60 H ASN 60 43.491 55.756 59.231 475 HA ASN 60 HA ASN 60 44.670 57.789 57.339 476 1HB ASN 60 2HB ASN 60 41.655 57.688 57.896 477 2HB ASN 60 1HB ASN 60 42.507 58.262 56.351 478 1HD2 ASN 60 1HD2 ASN 60 42.298 55.157 54.790 479 2HD2 ASN 60 2HD2 ASN 60 42.687 56.847 54.673 480 H TYR 61 H TYR 61 45.707 57.705 59.279 481 HA TYR 61 HA TYR 61 44.362 59.294 61.391 482 1HB TYR 61 2HB TYR 61 46.274 57.173 61.488 483 2HB TYR 61 1HB TYR 61 47.246 58.711 61.841 484 HD1 TYR 61 HD2 TYR 61 46.346 60.281 63.679 485 HD2 TYR 61 HD1 TYR 61 45.053 56.199 63.124 486 HE1 TYR 61 HE2 TYR 61 45.532 60.218 65.996 487 HE2 TYR 61 HE1 TYR 61 44.225 56.114 65.430 488 HH TYR 61 HH TYR 61 44.243 57.165 67.368 489 H ASP 62 H ASP 62 45.312 60.067 58.715 490 HA ASP 62 HA ASP 62 46.987 61.664 57.737 491 1HB ASP 62 2HB ASP 62 44.843 63.417 58.877 492 2HB ASP 62 1HB ASP 62 45.374 63.093 57.074 493 H LEU 63 H LEU 63 48.683 62.781 58.007 494 HA LEU 63 HA LEU 63 49.287 63.827 60.684 495 1HB LEU 63 2HB LEU 63 50.737 62.789 58.742 496 2HB LEU 63 1HB LEU 63 50.908 64.495 58.190 497 HG LEU 63 HG LEU 63 51.560 64.885 60.785 498 1HD1 LEU 63 3HD1 LEU 63 50.718 62.518 61.339 499 2HD1 LEU 63 2HD1 LEU 63 52.215 61.911 60.556 500 3HD1 LEU 63 1HD1 LEU 63 52.292 62.983 62.050 501 1HD2 LEU 63 3HD2 LEU 63 53.067 63.597 58.494 502 2HD2 LEU 63 2HD2 LEU 63 53.462 65.133 59.474 503 3HD2 LEU 63 1HD2 LEU 63 53.906 63.534 60.138 504 H ASP 64 H ASP 64 47.089 65.131 60.362 505 HA ASP 64 HA ASP 64 47.900 67.720 59.021 506 1HB ASP 64 2HB ASP 64 45.156 67.505 60.276 507 2HB ASP 64 1HB ASP 64 45.672 67.890 58.474 508 H PHE 65 H PHE 65 49.163 68.753 60.249 509 HA PHE 65 HA PHE 65 48.106 69.647 62.920 510 1HB PHE 65 2HB PHE 65 50.543 69.370 63.749 511 2HB PHE 65 1HB PHE 65 49.746 67.859 63.251 512 HD1 PHE 65 HD1 PHE 65 50.123 66.828 61.060 513 HD2 PHE 65 HD2 PHE 65 52.434 70.135 62.586 514 HE1 PHE 65 HE1 PHE 65 51.886 66.293 59.471 515 HE2 PHE 65 HE2 PHE 65 54.250 69.558 60.933 516 HZ PHE 65 HZ PHE 65 53.945 67.639 59.408 517 H THR 66 H THR 66 50.627 71.244 63.185 518 HA THR 66 HA THR 66 50.858 73.026 60.842 519 HB THR 66 HB THR 66 48.989 73.347 63.156 520 HG1 THR 66 1HG THR 66 48.379 75.087 61.563 521 1HG2 THR 66 1HG2 THR 66 51.161 75.238 63.411 522 2HG2 THR 66 3HG2 THR 66 50.266 75.906 61.963 523 3HG2 THR 66 2HG2 THR 66 49.433 75.801 63.526 524 H VAL 67 H VAL 67 52.685 74.061 60.937 525 HA VAL 67 HA VAL 67 54.687 73.022 62.766 526 HB VAL 67 HB VAL 67 54.901 75.506 61.029 527 1HG1 VAL 67 1HG1 VAL 67 56.634 73.568 62.416 528 2HG1 VAL 67 3HG1 VAL 67 57.169 73.812 60.663 529 3HG1 VAL 67 2HG1 VAL 67 57.065 75.244 61.764 530 1HG2 VAL 67 2HG2 VAL 67 54.044 72.861 60.121 531 2HG2 VAL 67 1HG2 VAL 67 54.507 74.339 59.157 532 3HG2 VAL 67 3HG2 VAL 67 55.759 73.144 59.576 533 H GLY 68 H GLY 68 55.535 73.536 64.450 534 1HA GLY 68 1HA GLY 68 55.980 74.705 66.451 535 2HA GLY 68 2HA GLY 68 55.687 76.242 65.438 536 H VAL 69 H VAL 69 53.123 73.882 65.768 537 HA VAL 69 HA VAL 69 51.609 75.963 67.303 538 HB VAL 69 HB VAL 69 51.128 74.253 65.161 539 1HG1 VAL 69 1HG1 VAL 69 51.709 72.245 66.473 540 2HG1 VAL 69 3HG1 VAL 69 50.182 72.573 67.497 541 3HG1 VAL 69 2HG1 VAL 69 50.058 72.109 65.773 542 1HG2 VAL 69 1HG2 VAL 69 49.073 74.887 67.415 543 2HG2 VAL 69 3HG2 VAL 69 49.281 75.746 65.849 544 3HG2 VAL 69 2HG2 VAL 69 48.645 73.998 65.923 545 H GLU 70 H GLU 70 53.427 73.037 67.656 546 HA GLU 70 HA GLU 70 53.717 71.732 69.589 547 1HB GLU 70 2HB GLU 70 52.912 74.184 70.774 548 2HB GLU 70 1HB GLU 70 51.795 72.876 71.451 549 1HG GLU 70 2HG GLU 70 53.762 71.521 72.043 550 2HG GLU 70 1HG GLU 70 54.855 72.980 71.535 551 H PHE 71 H PHE 71 52.951 69.900 69.221 552 HA PHE 71 HA PHE 71 49.921 69.763 68.969 553 1HB PHE 71 2HB PHE 71 51.614 68.637 67.307 554 2HB PHE 71 1HB PHE 71 51.427 67.224 68.463 555 HD1 PHE 71 HD2 PHE 71 49.660 69.487 66.058 556 HD2 PHE 71 HD1 PHE 71 49.384 66.089 68.623 557 HE1 PHE 71 HE2 PHE 71 47.504 68.910 65.000 558 HE2 PHE 71 HE1 PHE 71 47.257 65.493 67.614 559 HZ PHE 71 HZ PHE 71 46.237 66.839 65.787 560 H ASP 72 H ASP 72 51.230 70.055 71.492 561 HA ASP 72 HA ASP 72 51.814 68.341 73.311 562 1HB ASP 72 2HB ASP 72 49.630 69.231 74.691 563 2HB ASP 72 1HB ASP 72 51.070 70.322 74.321 564 H GLU 73 H GLU 73 51.637 66.362 73.377 565 HA GLU 73 HA GLU 73 50.809 64.217 73.940 566 1HB GLU 73 2HB GLU 73 49.402 66.094 75.328 567 2HB GLU 73 1HB GLU 73 48.017 65.382 74.378 568 1HG GLU 73 2HG GLU 73 48.200 63.366 75.530 569 2HG GLU 73 1HG GLU 73 50.089 63.559 75.788 570 H HIS 74 H HIS 74 48.588 63.016 73.652 571 HA HIS 74 HA HIS 74 47.052 62.032 72.306 572 1HB HIS 74 2HB HIS 74 46.823 64.497 71.250 573 2HB HIS 74 1HB HIS 74 47.874 63.789 69.970 574 HD1 HIS 74 HD1 HIS 74 46.290 60.797 70.441 575 HD2 HIS 74 HD2 HIS 74 44.779 64.527 69.292 576 HE1 HIS 74 HE1 HIS 74 44.117 60.362 69.188 577 HE2 HIS 74 HE2 HIS 74 43.197 62.656 68.482 578 H THR 75 H THR 75 48.186 60.329 72.460 579 HA THR 75 HA THR 75 49.782 59.368 70.116 580 HB THR 75 HB THR 75 50.019 57.475 72.015 581 HG1 THR 75 1HG THR 75 50.167 59.658 73.728 582 1HG2 THR 75 1HG2 THR 75 51.718 59.304 70.894 583 2HG2 THR 75 3HG2 THR 75 51.531 60.277 72.390 584 3HG2 THR 75 2HG2 THR 75 52.270 58.626 72.510 585 H LYS 76 H LYS 76 47.647 58.436 72.704 586 HA LYS 76 HA LYS 76 46.815 55.889 72.403 587 1HB LYS 76 2HB LYS 76 44.301 56.845 72.658 588 2HB LYS 76 1HB LYS 76 45.575 56.842 73.931 589 1HG LYS 76 2HG LYS 76 46.181 59.134 73.684 590 2HG LYS 76 1HG LYS 76 45.386 59.232 72.064 591 1HD LYS 76 2HD LYS 76 43.193 58.597 73.317 592 2HD LYS 76 1HD LYS 76 44.096 59.168 74.840 593 1HE LYS 76 2HE LYS 76 44.687 61.277 73.663 594 2HE LYS 76 1HE LYS 76 43.638 60.853 72.264 595 1HZ LYS 76 2HZ LYS 76 42.415 60.970 74.973 596 2HZ LYS 76 1HZ LYS 76 42.716 62.350 74.124 597 3HZ LYS 76 3HZ LYS 76 41.753 61.224 73.434 598 H GLY 77 H GLY 77 46.657 54.659 70.920 599 1HA GLY 77 1HA GLY 77 44.564 54.205 69.307 600 2HA GLY 77 2HA GLY 77 45.560 55.303 68.243 601 H LEU 78 H LEU 78 47.889 54.699 69.404 602 HA LEU 78 HA LEU 78 48.561 52.102 68.057 603 1HB LEU 78 2HB LEU 78 49.202 54.546 67.250 604 2HB LEU 78 1HB LEU 78 50.470 54.506 68.533 605 HG LEU 78 HG LEU 78 51.768 53.020 67.446 606 1HD1 LEU 78 2HD1 LEU 78 49.269 51.754 66.189 607 2HD1 LEU 78 1HD1 LEU 78 50.991 51.231 65.755 608 3HD1 LEU 78 3HD1 LEU 78 50.352 51.115 67.458 609 1HD2 LEU 78 2HD2 LEU 78 51.099 54.979 65.723 610 2HD2 LEU 78 1HD2 LEU 78 51.782 53.452 65.005 611 3HD2 LEU 78 3HD2 LEU 78 50.003 53.762 64.961 612 H ASP 79 H ASP 79 49.758 54.334 70.570 613 HA ASP 79 HA ASP 79 51.136 51.958 71.865 614 1HB ASP 79 2HB ASP 79 52.537 53.823 71.225 615 2HB ASP 79 1HB ASP 79 51.578 54.985 72.307 616 H GLY 80 H GLY 80 49.730 55.093 72.731 617 1HA GLY 80 1HA GLY 80 48.015 55.671 74.103 618 2HA GLY 80 2HA GLY 80 48.032 53.994 74.900 619 H ARG 81 H ARG 81 49.624 56.969 74.274 620 HA ARG 81 HA ARG 81 50.650 57.053 77.120 621 1HB ARG 81 2HB ARG 81 52.374 56.067 75.453 622 2HB ARG 81 1HB ARG 81 52.517 57.805 74.835 623 1HG ARG 81 2HG ARG 81 54.160 57.768 76.542 624 2HG ARG 81 1HG ARG 81 52.711 58.425 77.370 625 1HD ARG 81 2HD ARG 81 53.683 56.898 78.844 626 2HD ARG 81 1HD ARG 81 52.264 55.921 78.205 627 HE ARG 81 HE ARG 81 54.294 55.224 76.533 628 1HH1 ARG 81 2HH1 ARG 81 54.081 55.494 80.081 629 2HH1 ARG 81 1HH1 ARG 81 55.263 54.205 80.383 630 1HH2 ARG 81 2HH2 ARG 81 55.856 53.511 76.976 631 2HH2 ARG 81 1HH2 ARG 81 56.280 53.089 78.616 632 H ASN 82 H ASN 82 52.491 59.522 75.781 633 HA ASN 82 HA ASN 82 50.497 61.395 75.044 634 1HB ASN 82 2HB ASN 82 51.021 62.735 77.381 635 2HB ASN 82 1HB ASN 82 49.549 61.592 77.225 636 1HD2 ASN 82 1HD2 ASN 82 50.487 59.440 79.602 637 2HD2 ASN 82 2HD2 ASN 82 49.338 60.085 78.438 638 H VAL 83 H VAL 83 51.751 62.527 73.772 639 HA VAL 83 HA VAL 83 54.385 63.539 74.941 640 HB VAL 83 HB VAL 83 53.928 62.426 72.154 641 1HG1 VAL 83 3HG1 VAL 83 56.163 63.915 73.476 642 2HG1 VAL 83 2HG1 VAL 83 56.635 62.517 72.345 643 3HG1 VAL 83 1HG1 VAL 83 55.613 63.896 71.762 644 1HG2 VAL 83 1HG2 VAL 83 54.077 60.785 74.271 645 2HG2 VAL 83 3HG2 VAL 83 55.033 60.405 72.773 646 3HG2 VAL 83 2HG2 VAL 83 55.811 61.153 74.261 647 H LYS 84 H LYS 84 55.142 65.349 74.363 648 HA LYS 84 HA LYS 84 53.647 67.572 73.802 649 1HB LYS 84 2HB LYS 84 56.399 67.153 74.025 650 2HB LYS 84 1HB LYS 84 56.238 67.900 72.381 651 1HG LYS 84 2HG LYS 84 56.381 69.760 73.842 652 2HG LYS 84 1HG LYS 84 54.600 69.564 73.308 653 1HD LYS 84 2HD LYS 84 54.684 70.135 75.686 654 2HD LYS 84 1HD LYS 84 54.013 68.500 75.474 655 1HE LYS 84 2HE LYS 84 55.741 68.040 77.190 656 2HE LYS 84 1HE LYS 84 56.812 67.978 75.740 657 1HZ LYS 84 2HZ LYS 84 56.318 70.535 77.135 658 2HZ LYS 84 1HZ LYS 84 57.674 69.590 77.313 659 3HZ LYS 84 3HZ LYS 84 57.266 70.219 75.824 660 H THR 85 H THR 85 55.793 66.375 71.245 661 HA THR 85 HA THR 85 55.588 65.941 68.983 662 HB THR 85 HB THR 85 52.614 66.221 69.556 663 HG1 THR 85 1HG THR 85 53.020 64.005 69.971 664 1HG2 THR 85 1HG2 THR 85 54.531 64.689 67.587 665 2HG2 THR 85 3HG2 THR 85 52.796 64.217 67.752 666 3HG2 THR 85 2HG2 THR 85 53.307 65.849 67.039 667 H LEU 86 H LEU 86 56.591 68.042 69.591 668 HA LEU 86 HA LEU 86 55.242 70.427 68.510 669 1HB LEU 86 2HB LEU 86 57.138 70.445 70.399 670 2HB LEU 86 1HB LEU 86 58.253 69.986 69.039 671 HG LEU 86 HG LEU 86 57.161 72.044 67.748 672 1HD1 LEU 86 3HD1 LEU 86 55.839 72.626 69.875 673 2HD1 LEU 86 2HD1 LEU 86 57.411 72.868 70.763 674 3HD1 LEU 86 1HD1 LEU 86 57.004 73.978 69.400 675 1HD2 LEU 86 2HD2 LEU 86 59.473 71.850 69.780 676 2HD2 LEU 86 1HD2 LEU 86 59.485 71.713 67.927 677 3HD2 LEU 86 3HD2 LEU 86 59.254 73.293 68.759 678 H VAL 87 H VAL 87 55.501 71.297 66.572 679 HA VAL 87 HA VAL 87 57.178 69.858 64.556 680 HB VAL 87 HB VAL 87 54.623 71.629 64.151 681 1HG1 VAL 87 3HG1 VAL 87 56.506 71.373 62.257 682 2HG1 VAL 87 2HG1 VAL 87 55.792 69.731 62.126 683 3HG1 VAL 87 1HG1 VAL 87 54.756 71.198 61.904 684 1HG2 VAL 87 2HG2 VAL 87 54.943 68.790 64.983 685 2HG2 VAL 87 1HG2 VAL 87 53.439 69.764 64.610 686 3HG2 VAL 87 3HG2 VAL 87 54.296 68.921 63.280 687 H THR 88 H THR 88 58.325 70.971 63.152 688 HA THR 88 HA THR 88 58.642 73.900 63.319 689 HB THR 88 HB THR 88 60.651 71.825 64.389 690 HG1 THR 88 1HG THR 88 59.690 74.048 65.821 691 1HG2 THR 88 2HG2 THR 88 60.956 74.904 63.840 692 2HG2 THR 88 1HG2 THR 88 62.069 73.943 64.885 693 3HG2 THR 88 3HG2 THR 88 61.843 73.494 63.138 694 H TRP 89 H TRP 89 59.904 74.731 61.862 695 HA TRP 89 HA TRP 89 60.507 73.247 59.264 696 1HB TRP 89 2HB TRP 89 60.058 76.134 60.296 697 2HB TRP 89 1HB TRP 89 61.040 75.884 58.791 698 HD1 TRP 89 HD1 TRP 89 57.505 76.283 59.790 699 HE1 TRP 89 HE1 TRP 89 56.083 75.113 57.982 700 HE3 TRP 89 HE3 TRP 89 61.154 73.804 57.487 701 HZ2 TRP 89 HZ2 TRP 89 56.580 73.187 55.762 702 HZ3 TRP 89 HZ3 TRP 89 60.781 72.313 55.592 703 HH2 TRP 89 HH2 TRP 89 58.545 72.048 54.841 704 H GLU 90 H GLU 90 62.623 72.468 59.024 705 HA GLU 90 HA GLU 90 64.547 73.524 60.917 706 1HB GLU 90 2HB GLU 90 63.872 71.099 59.888 707 2HB GLU 90 1HB GLU 90 65.122 71.539 58.666 708 1HG GLU 90 2HG GLU 90 66.755 71.956 60.734 709 2HG GLU 90 1HG GLU 90 65.425 71.014 61.662 710 H GLY 91 H GLY 91 66.755 72.815 59.021 711 1HA GLY 91 1HA GLY 91 67.314 75.395 58.040 712 2HA GLY 91 2HA GLY 91 68.217 73.848 57.546 713 H ASN 92 H ASN 92 65.957 72.477 56.778 714 HA ASN 92 HA ASN 92 64.315 73.890 54.782 715 1HB ASN 92 2HB ASN 92 65.608 72.291 52.914 716 2HB ASN 92 1HB ASN 92 66.024 74.082 53.238 717 1HD2 ASN 92 1HD2 ASN 92 69.054 73.571 54.572 718 2HD2 ASN 92 2HD2 ASN 92 67.819 74.646 53.975 719 H THR 93 H THR 93 63.216 72.568 56.504 720 HA THR 93 HA THR 93 61.831 70.421 55.275 721 HB THR 93 HB THR 93 64.034 69.117 55.658 722 HG1 THR 93 1HG THR 93 62.249 68.212 55.094 723 1HG2 THR 93 2HG2 THR 93 64.150 69.853 58.251 724 2HG2 THR 93 1HG2 THR 93 62.727 68.709 58.435 725 3HG2 THR 93 3HG2 THR 93 64.366 68.144 57.880 726 H LEU 94 H LEU 94 60.658 69.019 56.671 727 HA LEU 94 HA LEU 94 59.365 70.443 58.907 728 1HB LEU 94 2HB LEU 94 57.978 69.848 56.892 729 2HB LEU 94 1HB LEU 94 58.402 68.099 57.225 730 HG LEU 94 HG LEU 94 57.658 69.217 59.683 731 1HD1 LEU 94 2HD1 LEU 94 56.373 70.869 57.706 732 2HD1 LEU 94 1HD1 LEU 94 55.135 69.619 58.049 733 3HD1 LEU 94 3HD1 LEU 94 55.753 70.679 59.406 734 1HD2 LEU 94 2HD2 LEU 94 57.229 66.895 58.808 735 2HD2 LEU 94 1HD2 LEU 94 55.872 67.614 59.716 736 3HD2 LEU 94 3HD2 LEU 94 55.751 67.532 57.898 737 H VAL 95 H VAL 95 60.463 70.079 60.613 738 HA VAL 95 HA VAL 95 61.014 67.287 61.423 739 HB VAL 95 HB VAL 95 61.602 70.113 62.536 740 1HG1 VAL 95 2HG1 VAL 95 62.164 67.517 63.876 741 2HG1 VAL 95 1HG1 VAL 95 63.490 68.731 63.896 742 3HG1 VAL 95 3HG1 VAL 95 61.868 69.225 64.470 743 1HG2 VAL 95 1HG2 VAL 95 62.925 68.789 60.413 744 2HG2 VAL 95 3HG2 VAL 95 63.826 69.984 61.527 745 3HG2 VAL 95 2HG2 VAL 95 63.898 68.187 61.810 746 H CYS 96 H CYS 96 60.287 66.370 63.272 747 HA CYS 96 HA CYS 96 58.889 68.168 65.140 748 1HB CYS 96 2HB CYS 96 56.801 67.511 64.229 749 2HB CYS 96 1HB CYS 96 57.367 65.959 63.606 750 HG CYS 96 HG CYS 96 57.129 64.580 65.604 751 H VAL 97 H VAL 97 59.220 67.738 67.068 752 HA VAL 97 HA VAL 97 60.798 65.390 67.932 753 HB VAL 97 HB VAL 97 61.383 66.924 69.824 754 1HG1 VAL 97 1HG1 VAL 97 62.448 66.608 67.266 755 2HG1 VAL 97 3HG1 VAL 97 61.936 68.309 67.072 756 3HG1 VAL 97 2HG1 VAL 97 63.191 67.904 68.316 757 1HG2 VAL 97 3HG2 VAL 97 59.261 68.335 68.974 758 2HG2 VAL 97 2HG2 VAL 97 60.612 69.027 70.027 759 3HG2 VAL 97 1HG2 VAL 97 60.558 69.303 68.200 760 H GLN 98 H GLN 98 59.382 63.889 68.659 761 HA GLN 98 HA GLN 98 57.134 64.487 70.407 762 1HB GLN 98 2HB GLN 98 58.333 62.195 69.061 763 2HB GLN 98 1HB GLN 98 57.893 61.706 70.782 764 1HG GLN 98 2HG GLN 98 55.700 61.494 70.018 765 2HG GLN 98 1HG GLN 98 55.681 63.306 69.857 766 1HE2 GLN 98 2HE2 GLN 98 54.803 61.356 66.708 767 2HE2 GLN 98 1HE2 GLN 98 54.391 61.047 68.388 768 H LYS 99 H LYS 99 57.794 65.636 71.926 769 HA LYS 99 HA LYS 99 59.906 64.467 73.775 770 1HB LYS 99 2HB LYS 99 59.637 66.996 72.964 771 2HB LYS 99 1HB LYS 99 58.639 67.103 74.461 772 1HG LYS 99 2HG LYS 99 61.041 67.665 74.888 773 2HG LYS 99 1HG LYS 99 60.597 66.198 75.786 774 1HD LYS 99 2HD LYS 99 62.136 64.924 74.489 775 2HD LYS 99 1HD LYS 99 61.612 65.704 72.923 776 1HE LYS 99 2HE LYS 99 62.890 67.778 74.185 777 2HE LYS 99 1HE LYS 99 63.768 66.333 74.917 778 1HZ LYS 99 2HZ LYS 99 63.277 66.499 71.981 779 2HZ LYS 99 1HZ LYS 99 64.635 67.246 72.610 780 3HZ LYS 99 3HZ LYS 99 64.403 65.628 72.851 781 H GLY 100 H GLY 100 58.795 62.826 74.519 782 1HA GLY 100 1HA GLY 100 56.988 63.669 76.798 783 2HA GLY 100 2HA GLY 100 56.238 62.504 75.667 784 H GLU 101 H GLU 101 58.383 63.234 78.089 785 HA GLU 101 HA GLU 101 59.584 62.198 79.763 786 1HB GLU 101 2HB GLU 101 57.421 61.363 80.403 787 2HB GLU 101 1HB GLU 101 57.365 60.195 79.036 788 1HG GLU 101 2HG GLU 101 58.916 58.684 80.099 789 2HG GLU 101 1HG GLU 101 59.528 60.026 81.216 790 H LYS 102 H LYS 102 58.656 59.323 77.865 791 HA LYS 102 HA LYS 102 61.523 58.427 78.074 792 1HB LYS 102 2HB LYS 102 59.899 56.908 78.942 793 2HB LYS 102 1HB LYS 102 58.847 56.977 77.468 794 1HG LYS 102 2HG LYS 102 61.683 56.167 76.801 795 2HG LYS 102 1HG LYS 102 60.919 55.054 77.956 796 1HD LYS 102 2HD LYS 102 58.790 55.458 76.170 797 2HD LYS 102 1HD LYS 102 60.288 55.529 75.127 798 1HE LYS 102 2HE LYS 102 60.582 53.312 75.264 799 2HE LYS 102 1HE LYS 102 60.421 53.381 77.070 800 1HZ LYS 102 2HZ LYS 102 57.999 53.429 76.741 801 2HZ LYS 102 1HZ LYS 102 58.123 53.353 75.099 802 3HZ LYS 102 3HZ LYS 102 58.569 52.060 76.068 803 H GLU 103 H GLU 103 59.043 57.610 75.677 804 HA GLU 103 HA GLU 103 60.817 56.900 73.656 805 1HB GLU 103 2HB GLU 103 58.885 57.314 72.042 806 2HB GLU 103 1HB GLU 103 58.305 56.513 73.562 807 1HG GLU 103 2HG GLU 103 58.286 59.355 74.008 808 2HG GLU 103 1HG GLU 103 57.423 58.928 72.368 809 H ASN 104 H ASN 104 61.042 57.477 71.632 810 HA ASN 104 HA ASN 104 61.546 60.365 71.150 811 1HB ASN 104 2HB ASN 104 63.198 57.819 70.686 812 2HB ASN 104 1HB ASN 104 63.695 59.323 69.741 813 1HD2 ASN 104 1HD2 ASN 104 65.030 58.924 73.461 814 2HD2 ASN 104 2HD2 ASN 104 64.338 57.537 72.387 815 H ARG 105 H ARG 105 59.410 60.100 70.253 816 HA ARG 105 HA ARG 105 58.916 58.295 68.007 817 1HB ARG 105 2HB ARG 105 57.076 60.037 69.752 818 2HB ARG 105 1HB ARG 105 56.636 59.615 68.090 819 1HG ARG 105 2HG ARG 105 57.694 57.568 70.103 820 2HG ARG 105 1HG ARG 105 55.924 57.841 69.742 821 1HD ARG 105 2HD ARG 105 57.997 56.603 67.879 822 2HD ARG 105 1HD ARG 105 56.313 56.062 68.351 823 HE ARG 105 HE ARG 105 57.240 58.008 66.340 824 1HH1 ARG 105 1HH2 ARG 105 54.145 56.909 68.104 825 2HH1 ARG 105 2HH2 ARG 105 53.190 57.655 66.851 826 1HH2 ARG 105 1HH1 ARG 105 55.843 58.828 64.942 827 2HH2 ARG 105 2HH1 ARG 105 54.061 58.713 65.112 828 H GLY 106 H GLY 106 60.330 60.991 68.500 829 1HA GLY 106 1HA GLY 106 59.777 63.173 66.885 830 2HA GLY 106 2HA GLY 106 61.386 62.377 66.889 831 H TRP 107 H TRP 107 58.304 62.494 65.210 832 HA TRP 107 HA TRP 107 59.429 61.189 62.865 833 1HB TRP 107 2HB TRP 107 57.213 60.672 62.378 834 2HB TRP 107 1HB TRP 107 56.750 61.431 63.951 835 HD1 TRP 107 HD1 TRP 107 57.580 62.235 60.249 836 HE1 TRP 107 HE1 TRP 107 56.262 64.376 59.411 837 HE3 TRP 107 HE3 TRP 107 55.537 63.451 64.582 838 HZ2 TRP 107 HZ2 TRP 107 54.742 66.118 60.571 839 HZ3 TRP 107 HZ3 TRP 107 54.057 65.468 64.723 840 HH2 TRP 107 HH2 TRP 107 53.704 66.772 62.671 841 H LYS 108 H LYS 108 60.069 62.014 61.098 842 HA LYS 108 HA LYS 108 59.512 64.800 60.394 843 1HB LYS 108 2HB LYS 108 62.078 65.275 60.293 844 2HB LYS 108 1HB LYS 108 61.349 65.277 61.989 845 1HG LYS 108 2HG LYS 108 62.032 62.727 62.018 846 2HG LYS 108 1HG LYS 108 63.055 63.228 60.536 847 1HD LYS 108 2HD LYS 108 64.481 63.344 62.620 848 2HD LYS 108 1HD LYS 108 64.146 64.990 62.030 849 1HE LYS 108 2HE LYS 108 63.183 65.454 64.085 850 2HE LYS 108 1HE LYS 108 61.930 64.182 63.742 851 1HZ LYS 108 2HZ LYS 108 63.891 62.618 64.350 852 2HZ LYS 108 1HZ LYS 108 64.470 63.953 65.172 853 3HZ LYS 108 3HZ LYS 108 62.988 63.277 65.612 854 H GLN 109 H GLN 109 60.786 65.750 58.859 855 HA GLN 109 HA GLN 109 61.415 63.655 56.681 856 1HB GLN 109 2HB GLN 109 60.307 66.412 55.977 857 2HB GLN 109 1HB GLN 109 59.939 64.843 55.111 858 1HG GLN 109 2HG GLN 109 58.861 65.796 57.876 859 2HG GLN 109 1HG GLN 109 57.997 65.741 56.239 860 1HE2 GLN 109 2HE2 GLN 109 57.879 62.581 58.469 861 2HE2 GLN 109 1HE2 GLN 109 58.086 64.376 58.968 862 H TRP 110 H TRP 110 62.585 64.560 54.741 863 HA TRP 110 HA TRP 110 63.943 67.085 55.183 864 1HB TRP 110 2HB TRP 110 66.245 65.909 55.498 865 2HB TRP 110 1HB TRP 110 65.100 66.343 56.868 866 HD1 TRP 110 HD1 TRP 110 65.026 63.119 54.535 867 HE1 TRP 110 HE1 TRP 110 65.115 61.100 56.214 868 HE3 TRP 110 HE3 TRP 110 65.461 65.735 58.652 869 HZ2 TRP 110 HZ2 TRP 110 65.399 60.893 58.985 870 HZ3 TRP 110 HZ3 TRP 110 65.659 64.710 60.903 871 HH2 TRP 110 HH2 TRP 110 65.622 62.267 61.004 872 H VAL 111 H VAL 111 62.846 65.194 52.909 873 HA VAL 111 HA VAL 111 63.400 64.740 50.645 874 HB VAL 111 HB VAL 111 64.375 67.603 51.009 875 1HG1 VAL 111 3HG1 VAL 111 64.308 66.049 48.693 876 2HG1 VAL 111 2HG1 VAL 111 62.707 66.813 48.644 877 3HG1 VAL 111 1HG1 VAL 111 64.229 67.820 48.697 878 1HG2 VAL 111 3HG2 VAL 111 61.873 66.599 51.874 879 2HG2 VAL 111 2HG2 VAL 111 62.265 68.303 51.389 880 3HG2 VAL 111 1HG2 VAL 111 61.529 67.170 50.158 881 H GLU 112 H GLU 112 64.966 63.352 50.266 882 HA GLU 112 HA GLU 112 67.727 64.494 49.860 883 1HB GLU 112 2HB GLU 112 67.319 61.555 50.497 884 2HB GLU 112 1HB GLU 112 68.715 62.610 50.801 885 1HG GLU 112 2HG GLU 112 67.209 63.937 52.432 886 2HG GLU 112 1HG GLU 112 65.917 62.609 52.074 887 H GLY 113 H GLY 113 66.026 64.743 47.873 888 1HA GLY 113 1HA GLY 113 66.981 64.143 45.481 889 2HA GLY 113 2HA GLY 113 66.526 62.437 45.917 890 H ASP 114 H ASP 114 65.030 61.905 44.771 891 HA ASP 114 HA ASP 114 62.700 63.692 44.059 892 1HB ASP 114 2HB ASP 114 64.164 61.234 42.909 893 2HB ASP 114 1HB ASP 114 62.433 61.566 42.380 894 H LYS 115 H LYS 115 62.945 62.731 46.610 895 HA LYS 115 HA LYS 115 60.296 61.653 46.996 896 1HB LYS 115 2HB LYS 115 60.883 59.517 48.047 897 2HB LYS 115 1HB LYS 115 61.326 59.535 46.297 898 1HG LYS 115 2HG LYS 115 63.647 60.256 46.808 899 2HG LYS 115 1HG LYS 115 63.297 60.014 48.608 900 1HD LYS 115 2HD LYS 115 62.684 57.696 48.242 901 2HD LYS 115 1HD LYS 115 62.825 57.803 46.458 902 1HE LYS 115 2HE LYS 115 65.317 58.591 46.941 903 2HE LYS 115 1HE LYS 115 64.919 58.210 48.657 904 1HZ LYS 115 1HZ LYS 115 64.386 56.052 46.762 905 2HZ LYS 115 3HZ LYS 115 66.001 56.432 46.860 906 3HZ LYS 115 2HZ LYS 115 65.270 55.935 48.228 907 H LEU 116 H LEU 116 59.808 61.325 49.217 908 HA LEU 116 HA LEU 116 61.639 63.102 50.853 909 1HB LEU 116 2HB LEU 116 59.620 64.314 50.324 910 2HB LEU 116 1HB LEU 116 58.545 62.984 50.878 911 HG LEU 116 HG LEU 116 60.552 63.712 52.894 912 1HD1 LEU 116 2HD1 LEU 116 60.110 65.891 51.483 913 2HD1 LEU 116 1HD1 LEU 116 58.457 65.947 52.260 914 3HD1 LEU 116 3HD1 LEU 116 59.924 66.042 53.295 915 1HD2 LEU 116 1HD2 LEU 116 57.501 63.440 52.770 916 2HD2 LEU 116 3HD2 LEU 116 58.648 62.593 53.850 917 3HD2 LEU 116 2HD2 LEU 116 58.249 64.281 54.238 918 H TYR 117 H TYR 117 62.740 62.008 52.033 919 HA TYR 117 HA TYR 117 61.897 59.531 53.163 920 1HB TYR 117 2HB TYR 117 63.994 61.648 53.778 921 2HB TYR 117 1HB TYR 117 63.820 60.220 54.909 922 HD1 TYR 117 HD2 TYR 117 64.604 61.373 51.336 923 HD2 TYR 117 HD1 TYR 117 64.746 57.932 54.023 924 HE1 TYR 117 HE2 TYR 117 65.895 60.163 49.734 925 HE2 TYR 117 HE1 TYR 117 66.038 56.801 52.359 926 HH TYR 117 HH TYR 117 67.741 57.755 50.248 927 H LEU 118 H LEU 118 60.338 59.039 54.279 928 HA LEU 118 HA LEU 118 59.633 61.028 56.500 929 1HB LEU 118 2HB LEU 118 57.966 60.002 54.698 930 2HB LEU 118 1HB LEU 118 57.906 58.551 55.859 931 HG LEU 118 HG LEU 118 56.939 61.409 56.413 932 1HD1 LEU 118 3HD1 LEU 118 55.461 59.649 55.425 933 2HD1 LEU 118 2HD1 LEU 118 55.847 58.594 56.873 934 3HD1 LEU 118 1HD1 LEU 118 55.025 60.179 57.089 935 1HD2 LEU 118 3HD2 LEU 118 57.559 59.021 58.298 936 2HD2 LEU 118 2HD2 LEU 118 58.459 60.605 58.347 937 3HD2 LEU 118 1HD2 LEU 118 56.665 60.495 58.815 938 H GLU 119 H GLU 119 61.650 60.464 57.303 939 HA GLU 119 HA GLU 119 62.074 57.872 58.667 940 1HB GLU 119 2HB GLU 119 63.608 60.521 58.293 941 2HB GLU 119 1HB GLU 119 64.023 59.390 59.596 942 1HG GLU 119 2HG GLU 119 64.237 57.476 58.085 943 2HG GLU 119 1HG GLU 119 63.800 58.533 56.653 944 H LEU 120 H LEU 120 60.879 57.462 60.264 945 HA LEU 120 HA LEU 120 60.519 59.626 62.335 946 1HB LEU 120 2HB LEU 120 58.449 58.969 62.745 947 2HB LEU 120 1HB LEU 120 58.555 58.226 61.087 948 HG LEU 120 HG LEU 120 59.595 56.163 62.577 949 1HD1 LEU 120 3HD1 LEU 120 58.311 57.852 64.589 950 2HD1 LEU 120 2HD1 LEU 120 57.019 56.793 64.013 951 3HD1 LEU 120 1HD1 LEU 120 58.512 56.037 64.754 952 1HD2 LEU 120 3HD2 LEU 120 57.841 55.980 60.813 953 2HD2 LEU 120 2HD2 LEU 120 57.486 54.957 62.232 954 3HD2 LEU 120 1HD2 LEU 120 56.583 56.488 62.028 955 H THR 121 H THR 121 60.685 59.008 64.504 956 HA THR 121 HA THR 121 62.726 56.820 64.933 957 HB THR 121 HB THR 121 61.996 59.189 66.748 958 HG1 THR 121 1HG THR 121 64.111 59.441 65.001 959 1HG2 THR 121 3HG2 THR 121 64.135 56.987 66.699 960 2HG2 THR 121 2HG2 THR 121 64.886 58.670 66.633 961 3HG2 THR 121 1HG2 THR 121 63.849 58.191 67.987 962 H CYS 122 H CYS 122 62.370 55.675 67.223 963 HA CYS 122 HA CYS 122 59.748 56.144 68.426 964 1HB CYS 122 2HB CYS 122 59.361 53.404 67.749 965 2HB CYS 122 1HB CYS 122 58.553 54.770 66.982 966 HG CYS 122 HG CYS 122 61.446 53.484 66.039 967 H GLY 123 H GLY 123 61.343 56.437 69.946 968 1HA GLY 123 1HA GLY 123 62.714 55.864 71.822 969 2HA GLY 123 2HA GLY 123 61.185 54.922 72.142 970 H ASP 124 H ASP 124 64.096 54.853 70.227 971 HA ASP 124 HA ASP 124 65.975 53.296 70.668 972 1HB ASP 124 2HB ASP 124 63.629 51.266 70.753 973 2HB ASP 124 1HB ASP 124 65.346 50.806 70.344 974 H GLN 125 H GLN 125 63.049 52.226 68.946 975 HA GLN 125 HA GLN 125 64.653 51.463 66.574 976 1HB GLN 125 2HB GLN 125 61.656 51.924 67.076 977 2HB GLN 125 1HB GLN 125 62.258 51.251 65.541 978 1HG GLN 125 2HG GLN 125 62.832 49.993 68.282 979 2HG GLN 125 1HG GLN 125 61.360 49.595 67.273 980 1HE2 GLN 125 1HE2 GLN 125 65.053 48.175 66.245 981 2HE2 GLN 125 2HE2 GLN 125 64.698 49.334 67.680 982 H VAL 126 H VAL 126 64.348 52.281 64.661 983 HA VAL 126 HA VAL 126 63.646 55.188 64.346 984 HB VAL 126 HB VAL 126 66.360 53.958 63.421 985 1HG1 VAL 126 3HG1 VAL 126 65.039 56.780 63.570 986 2HG1 VAL 126 2HG1 VAL 126 66.809 56.457 63.158 987 3HG1 VAL 126 1HG1 VAL 126 65.401 55.879 62.092 988 1HG2 VAL 126 1HG2 VAL 126 65.477 55.718 65.761 989 2HG2 VAL 126 3HG2 VAL 126 66.167 54.031 65.937 990 3HG2 VAL 126 2HG2 VAL 126 67.207 55.396 65.387 991 H CYS 127 H CYS 127 61.875 54.203 63.066 992 HA CYS 127 HA CYS 127 62.245 52.490 60.817 993 1HB CYS 127 2HB CYS 127 60.038 53.372 61.983 994 2HB CYS 127 1HB CYS 127 60.322 54.926 61.178 995 HG CYS 127 HG CYS 127 59.806 54.268 58.798 996 H ARG 128 H ARG 128 62.538 52.688 58.722 997 HA ARG 128 HA ARG 128 63.570 55.430 57.814 998 1HB ARG 128 2HB ARG 128 65.411 53.846 58.615 999 2HB ARG 128 1HB ARG 128 64.984 52.745 57.218 1000 1HG ARG 128 2HG ARG 128 65.235 55.292 56.010 1001 2HG ARG 128 1HG ARG 128 66.565 55.293 57.187 1002 1HD ARG 128 2HD ARG 128 65.955 52.996 55.223 1003 2HD ARG 128 1HD ARG 128 67.188 54.372 54.962 1004 HE ARG 128 HE ARG 128 67.378 52.711 57.395 1005 1HH1 ARG 128 1HH1 ARG 128 68.922 53.445 54.066 1006 2HH1 ARG 128 2HH1 ARG 128 70.355 52.622 54.628 1007 1HH2 ARG 128 1HH2 ARG 128 69.326 51.743 57.763 1008 2HH2 ARG 128 2HH2 ARG 128 70.631 51.703 56.562 1009 H GLN 129 H GLN 129 61.224 55.112 57.118 1010 HA GLN 129 HA GLN 129 60.598 53.368 54.944 1011 1HB GLN 129 2HB GLN 129 59.838 56.339 55.240 1012 2HB GLN 129 1HB GLN 129 58.905 55.045 54.325 1013 1HG GLN 129 2HG GLN 129 59.145 53.784 56.768 1014 2HG GLN 129 1HG GLN 129 58.987 55.525 57.296 1015 1HE2 GLN 129 2HE2 GLN 129 55.680 53.594 56.962 1016 2HE2 GLN 129 1HE2 GLN 129 57.279 53.293 57.690 1017 H VAL 130 H VAL 130 60.038 53.989 52.586 1018 HA VAL 130 HA VAL 130 62.307 55.556 51.527 1019 HB VAL 130 HB VAL 130 61.299 52.894 50.288 1020 1HG1 VAL 130 1HG1 VAL 130 63.378 55.046 49.576 1021 2HG1 VAL 130 3HG1 VAL 130 63.726 53.341 49.149 1022 3HG1 VAL 130 2HG1 VAL 130 62.188 54.214 48.558 1023 1HG2 VAL 130 1HG2 VAL 130 63.940 53.306 51.816 1024 2HG2 VAL 130 3HG2 VAL 130 62.583 52.195 52.316 1025 3HG2 VAL 130 2HG2 VAL 130 63.501 51.864 50.832 1026 H PHE 131 H PHE 131 61.508 57.034 50.308 1027 HA PHE 131 HA PHE 131 58.643 56.821 49.511 1028 1HB PHE 131 2HB PHE 131 60.606 58.999 50.267 1029 2HB PHE 131 1HB PHE 131 59.187 59.426 49.207 1030 HD1 PHE 131 HD1 PHE 131 60.149 57.710 52.384 1031 HD2 PHE 131 HD2 PHE 131 57.046 59.500 49.997 1032 HE1 PHE 131 HE1 PHE 131 58.542 57.516 54.366 1033 HE2 PHE 131 HE2 PHE 131 55.545 59.289 51.935 1034 HZ PHE 131 HZ PHE 131 56.269 58.324 54.055 1035 H LYS 132 H LYS 132 58.073 58.473 47.834 1036 HA LYS 132 HA LYS 132 59.852 58.624 45.510 1037 1HB LYS 132 2HB LYS 132 58.643 56.102 45.831 1038 2HB LYS 132 1HB LYS 132 57.305 56.979 45.055 1039 1HG LYS 132 2HG LYS 132 59.964 57.573 43.806 1040 2HG LYS 132 1HG LYS 132 59.502 55.792 43.736 1041 1HD LYS 132 2HD LYS 132 58.643 56.591 41.783 1042 2HD LYS 132 1HD LYS 132 57.179 56.520 42.911 1043 1HE LYS 132 2HE LYS 132 57.228 58.845 43.217 1044 2HE LYS 132 1HE LYS 132 58.901 59.042 42.524 1045 1HZ LYS 132 2HZ LYS 132 57.710 58.011 40.415 1046 2HZ LYS 132 1HZ LYS 132 56.307 58.603 41.137 1047 3HZ LYS 132 3HZ LYS 132 57.512 59.640 40.720 1048 H LYS 133 H LYS 133 59.290 60.465 44.797 1049 HA LYS 133 HA LYS 133 56.773 61.687 45.577 1050 1HB LYS 133 2HB LYS 133 58.535 63.257 44.817 1051 2HB LYS 133 1HB LYS 133 58.676 62.333 43.253 1052 1HG LYS 133 2HG LYS 133 56.469 63.060 42.523 1053 2HG LYS 133 1HG LYS 133 56.076 63.597 44.202 1054 1HD LYS 133 2HD LYS 133 56.514 65.688 43.049 1055 2HD LYS 133 1HD LYS 133 58.155 65.260 43.753 1056 1HE LYS 133 2HE LYS 133 58.616 63.934 41.667 1057 2HE LYS 133 1HE LYS 133 57.071 64.726 40.980 1058 1HZ LYS 133 1HZ LYS 133 58.039 66.870 41.385 1059 2HZ LYS 133 3HZ LYS 133 59.490 66.232 41.851 1060 3HZ LYS 133 2HZ LYS 133 58.934 66.065 40.257 1061 H LYS 134 H LYS 134 54.990 61.014 45.198 1062 HA LYS 134 HA LYS 134 53.007 60.217 44.116 1063 1HB LYS 134 2HB LYS 134 53.584 62.534 43.061 1064 2HB LYS 134 1HB LYS 134 54.287 61.693 41.660 1065 1HG LYS 134 2HG LYS 134 52.108 61.207 40.872 1066 2HG LYS 134 1HG LYS 134 51.549 60.668 42.515 1067 1HD LYS 134 2HD LYS 134 50.407 62.657 41.558 1068 2HD LYS 134 1HD LYS 134 51.236 63.046 43.160 1069 1HE LYS 134 2HE LYS 134 52.926 64.288 42.280 1070 2HE LYS 134 1HE LYS 134 52.987 63.237 40.769 1071 1HZ LYS 134 2HZ LYS 134 50.613 64.854 40.762 1072 2HZ LYS 134 1HZ LYS 134 51.997 65.776 41.007 1073 3HZ LYS 134 3HZ LYS 134 51.824 64.764 39.672 No H/Q in entry = 1073 Start of MODEL 20 1 1H MET 1 3H MET 1 58.782 75.958 48.280 2 2H MET 1 2H MET 1 59.355 77.515 47.997 3 3H MET 1 1H MET 1 58.522 76.672 46.824 4 HA MET 1 HA MET 1 60.215 75.112 46.390 5 1HB MET 1 2HB MET 1 60.918 77.957 46.272 6 2HB MET 1 1HB MET 1 62.270 77.150 47.111 7 1HG MET 1 2HG MET 1 61.946 75.274 45.220 8 2HG MET 1 1HG MET 1 61.348 76.597 44.242 9 1HE MET 1 1HE MET 1 63.033 76.296 42.613 10 2HE MET 1 3HE MET 1 64.810 76.565 42.678 11 3HE MET 1 2HE MET 1 64.184 75.070 43.275 12 H THR 2 H THR 2 61.720 73.801 47.017 13 HA THR 2 HA THR 2 63.090 72.550 48.454 14 HB THR 2 HB THR 2 63.257 75.174 50.119 15 HG1 THR 2 1HG THR 2 63.803 75.346 47.843 16 1HG2 THR 2 1HG2 THR 2 64.216 72.574 50.650 17 2HG2 THR 2 3HG2 THR 2 65.534 73.111 49.568 18 3HG2 THR 2 2HG2 THR 2 65.160 74.015 51.099 19 H LYS 3 H LYS 3 61.272 74.863 50.615 20 HA LYS 3 HA LYS 3 60.820 72.561 52.469 21 1HB LYS 3 2HB LYS 3 59.863 75.442 52.306 22 2HB LYS 3 1HB LYS 3 59.390 74.367 53.688 23 1HG LYS 3 2HG LYS 3 61.701 74.282 54.451 24 2HG LYS 3 1HG LYS 3 62.248 74.385 52.760 25 1HD LYS 3 2HD LYS 3 62.165 76.744 52.746 26 2HD LYS 3 1HD LYS 3 60.767 76.827 53.902 27 1HE LYS 3 2HE LYS 3 63.113 75.683 55.162 28 2HE LYS 3 1HE LYS 3 63.528 77.321 54.366 29 1HZ LYS 3 2HZ LYS 3 61.173 77.837 55.498 30 2HZ LYS 3 1HZ LYS 3 61.707 76.756 56.622 31 3HZ LYS 3 3HZ LYS 3 62.626 78.069 56.359 32 H ASP 4 H ASP 4 58.561 74.585 50.586 33 HA ASP 4 HA ASP 4 56.459 72.605 51.343 34 1HB ASP 4 2HB ASP 4 55.416 74.364 49.186 35 2HB ASP 4 1HB ASP 4 54.970 74.227 50.938 36 H GLN 5 H GLN 5 56.066 70.764 50.217 37 HA GLN 5 HA GLN 5 56.770 70.763 47.296 38 1HB GLN 5 2HB GLN 5 58.566 69.752 49.107 39 2HB GLN 5 1HB GLN 5 57.336 68.362 49.156 40 1HG GLN 5 2HG GLN 5 58.717 67.690 47.448 41 2HG GLN 5 1HG GLN 5 57.403 68.657 46.533 42 1HE2 GLN 5 2HE2 GLN 5 61.307 69.644 46.586 43 2HE2 GLN 5 1HE2 GLN 5 60.605 68.197 47.388 44 H ASN 6 H ASN 6 54.411 71.150 48.740 45 HA ASN 6 HA ASN 6 52.492 69.354 49.249 46 1HB ASN 6 2HB ASN 6 51.860 70.945 46.672 47 2HB ASN 6 1HB ASN 6 50.803 70.683 48.161 48 1HD2 ASN 6 1HD2 ASN 6 52.495 73.129 50.136 49 2HD2 ASN 6 2HD2 ASN 6 51.938 71.348 50.141 50 H GLY 7 H GLY 7 51.649 67.459 48.534 51 1HA GLY 7 1HA GLY 7 51.347 66.989 45.677 52 2HA GLY 7 2HA GLY 7 52.895 66.264 46.292 53 H THR 8 H THR 8 52.753 64.324 46.691 54 HA THR 8 HA THR 8 51.190 62.910 48.444 55 HB THR 8 HB THR 8 50.216 62.495 45.512 56 HG1 THR 8 1HG THR 8 49.276 63.781 47.654 57 1HG2 THR 8 2HG2 THR 8 49.910 60.956 48.306 58 2HG2 THR 8 1HG2 THR 8 48.724 60.741 46.937 59 3HG2 THR 8 3HG2 THR 8 50.494 60.284 46.771 60 H TRP 9 H TRP 9 51.901 60.977 48.630 61 HA TRP 9 HA TRP 9 54.013 60.054 46.706 62 1HB TRP 9 2HB TRP 9 55.016 60.164 49.536 63 2HB TRP 9 1HB TRP 9 55.996 60.126 48.001 64 HD1 TRP 9 HD1 TRP 9 53.341 62.517 49.503 65 HE1 TRP 9 HE1 TRP 9 53.982 64.983 49.331 66 HE3 TRP 9 HE3 TRP 9 57.567 61.605 47.298 67 HZ2 TRP 9 HZ2 TRP 9 56.167 66.227 48.276 68 HZ3 TRP 9 HZ3 TRP 9 59.047 63.552 46.646 69 HH2 TRP 9 HH2 TRP 9 58.348 65.734 47.113 70 H GLU 10 H GLU 10 52.982 58.221 46.185 71 HA GLU 10 HA GLU 10 52.076 56.278 48.095 72 1HB GLU 10 2HB GLU 10 53.548 55.583 45.427 73 2HB GLU 10 1HB GLU 10 52.244 54.657 46.253 74 1HG GLU 10 2HG GLU 10 51.099 57.251 45.827 75 2HG GLU 10 1HG GLU 10 52.268 56.989 44.444 76 H MET 11 H MET 11 53.333 55.984 49.714 77 HA MET 11 HA MET 11 56.096 55.994 50.120 78 1HB MET 11 2HB MET 11 53.910 55.068 51.661 79 2HB MET 11 1HB MET 11 54.580 53.510 51.063 80 1HG MET 11 2HG MET 11 56.838 54.026 52.120 81 2HG MET 11 1HG MET 11 56.247 55.629 52.538 82 1HE MET 11 3HE MET 11 54.494 56.168 54.042 83 2HE MET 11 2HE MET 11 53.192 55.024 54.324 84 3HE MET 11 1HE MET 11 54.433 55.398 55.640 85 H GLU 12 H GLU 12 54.488 53.013 49.038 86 HA GLU 12 HA GLU 12 55.215 51.642 47.254 87 1HB GLU 12 2HB GLU 12 56.953 53.525 46.661 88 2HB GLU 12 1HB GLU 12 58.052 52.459 47.684 89 1HG GLU 12 2HG GLU 12 56.885 50.520 46.261 90 2HG GLU 12 1HG GLU 12 56.720 51.943 45.006 91 H SER 13 H SER 13 57.228 52.264 49.992 92 HA SER 13 HA SER 13 56.781 49.589 51.132 93 1HB SER 13 2HB SER 13 59.429 50.241 49.643 94 2HB SER 13 1HB SER 13 59.333 48.964 50.970 95 HG SER 13 HG SER 13 58.917 47.815 49.318 96 H ASN 14 H ASN 14 57.483 49.230 52.941 97 HA ASN 14 HA ASN 14 59.117 51.245 54.412 98 1HB ASN 14 2HB ASN 14 56.512 51.217 55.009 99 2HB ASN 14 1HB ASN 14 56.879 49.513 55.709 100 1HD2 ASN 14 1HD2 ASN 14 57.715 51.147 58.686 101 2HD2 ASN 14 2HD2 ASN 14 56.622 49.970 57.673 102 H GLU 15 H GLU 15 60.413 50.694 55.796 103 HA GLU 15 HA GLU 15 61.540 48.014 55.439 104 1HB GLU 15 2HB GLU 15 62.124 50.432 57.295 105 2HB GLU 15 1HB GLU 15 63.155 48.965 57.330 106 1HG GLU 15 2HG GLU 15 63.586 49.090 54.891 107 2HG GLU 15 1HG GLU 15 62.570 50.646 54.809 108 H ASN 16 H ASN 16 61.421 49.186 58.832 109 HA ASN 16 HA ASN 16 60.235 46.600 59.598 110 1HB ASN 16 2HB ASN 16 60.404 47.734 62.011 111 2HB ASN 16 1HB ASN 16 61.948 47.364 61.054 112 1HD2 ASN 16 1HD2 ASN 16 62.304 50.831 62.271 113 2HD2 ASN 16 2HD2 ASN 16 62.305 49.075 62.903 114 H PHE 17 H PHE 17 58.365 46.356 60.610 115 HA PHE 17 HA PHE 17 56.420 48.703 60.333 116 1HB PHE 17 2HB PHE 17 56.337 45.843 59.568 117 2HB PHE 17 1HB PHE 17 54.926 46.292 60.665 118 HD1 PHE 17 HD2 PHE 17 53.259 47.893 59.933 119 HD2 PHE 17 HD1 PHE 17 56.514 46.887 57.353 120 HE1 PHE 17 HE2 PHE 17 52.108 48.926 58.058 121 HE2 PHE 17 HE1 PHE 17 55.373 47.924 55.478 122 HZ PHE 17 HZ PHE 17 53.034 49.001 55.836 123 H GLU 18 H GLU 18 56.376 45.518 61.941 124 HA GLU 18 HA GLU 18 54.808 46.299 64.212 125 1HB GLU 18 2HB GLU 18 55.575 43.876 63.284 126 2HB GLU 18 1HB GLU 18 57.062 44.170 64.264 127 1HG GLU 18 2HG GLU 18 54.889 44.925 65.912 128 2HG GLU 18 1HG GLU 18 54.386 43.279 65.148 129 H GLY 19 H GLY 19 58.348 45.936 63.991 130 1HA GLY 19 1HA GLY 19 58.994 46.291 66.771 131 2HA GLY 19 2HA GLY 19 60.017 46.802 65.402 132 H TYR 20 H TYR 20 57.837 48.628 64.336 133 HA TYR 20 HA TYR 20 58.676 50.983 65.906 134 1HB TYR 20 2HB TYR 20 58.219 51.822 63.818 135 2HB TYR 20 1HB TYR 20 57.308 50.324 63.332 136 HD1 TYR 20 HD2 TYR 20 56.894 53.158 65.710 137 HD2 TYR 20 HD1 TYR 20 55.254 50.645 62.693 138 HE1 TYR 20 HE2 TYR 20 54.864 54.431 65.889 139 HE2 TYR 20 HE1 TYR 20 53.054 51.915 62.769 140 HH TYR 20 HH TYR 20 51.921 53.416 64.524 141 H MET 21 H MET 21 55.738 48.919 65.365 142 HA MET 21 HA MET 21 54.147 50.514 67.261 143 1HB MET 21 2HB MET 21 53.975 47.771 65.762 144 2HB MET 21 1HB MET 21 52.916 48.174 67.137 145 1HG MET 21 2HG MET 21 51.665 49.695 65.742 146 2HG MET 21 1HG MET 21 53.109 50.392 65.036 147 1HE MET 21 3HE MET 21 50.609 50.137 63.776 148 2HE MET 21 2HE MET 21 50.773 49.384 62.265 149 3HE MET 21 1HE MET 21 49.935 48.453 63.629 150 H LYS 22 H LYS 22 56.396 48.146 67.330 151 HA LYS 22 HA LYS 22 55.838 47.000 69.947 152 1HB LYS 22 2HB LYS 22 57.287 46.038 67.715 153 2HB LYS 22 1HB LYS 22 58.601 46.919 68.621 154 1HG LYS 22 2HG LYS 22 57.302 45.699 70.644 155 2HG LYS 22 1HG LYS 22 57.171 44.447 69.278 156 1HD LYS 22 2HD LYS 22 59.649 45.897 70.471 157 2HD LYS 22 1HD LYS 22 59.366 44.100 70.607 158 1HE LYS 22 2HE LYS 22 59.265 44.538 67.819 159 2HE LYS 22 1HE LYS 22 60.457 45.775 68.350 160 1HZ LYS 22 2HZ LYS 22 61.696 43.953 69.484 161 2HZ LYS 22 1HZ LYS 22 60.486 42.878 69.000 162 3HZ LYS 22 3HZ LYS 22 61.528 43.663 67.902 163 H ALA 23 H ALA 23 57.932 49.255 68.533 164 HA ALA 23 HA ALA 23 59.828 49.742 70.622 165 1HB ALA 23 1HB ALA 23 59.843 50.665 68.229 166 2HB ALA 23 3HB ALA 23 58.567 51.809 68.760 167 3HB ALA 23 2HB ALA 23 60.225 51.872 69.553 168 H LEU 24 H LEU 24 56.781 51.128 69.866 169 HA LEU 24 HA LEU 24 56.852 52.956 72.232 170 1HB LEU 24 2HB LEU 24 55.347 54.211 70.924 171 2HB LEU 24 1HB LEU 24 55.837 53.050 69.635 172 HG LEU 24 HG LEU 24 53.682 51.625 70.815 173 1HD1 LEU 24 2HD1 LEU 24 53.532 54.560 71.682 174 2HD1 LEU 24 1HD1 LEU 24 52.115 53.926 70.859 175 3HD1 LEU 24 3HD1 LEU 24 52.709 53.075 72.345 176 1HD2 LEU 24 2HD2 LEU 24 54.199 53.324 68.473 177 2HD2 LEU 24 1HD2 LEU 24 53.368 51.771 68.611 178 3HD2 LEU 24 3HD2 LEU 24 52.428 53.246 68.988 179 H ASP 25 H ASP 25 56.295 49.915 71.710 180 HA ASP 25 HA ASP 25 55.369 48.038 72.752 181 1HB ASP 25 2HB ASP 25 55.793 50.249 74.794 182 2HB ASP 25 1HB ASP 25 54.740 48.846 75.289 183 H ILE 26 H ILE 26 53.676 48.193 71.297 184 HA ILE 26 HA ILE 26 51.044 48.980 72.578 185 HB ILE 26 HB ILE 26 51.811 50.005 70.349 186 1HG1 ILE 26 2HG1 ILE 26 49.140 48.649 70.912 187 2HG1 ILE 26 1HG1 ILE 26 49.717 50.343 71.037 188 1HG2 ILE 26 1HG2 ILE 26 52.429 47.545 69.306 189 2HG2 ILE 26 3HG2 ILE 26 50.579 47.453 69.216 190 3HG2 ILE 26 2HG2 ILE 26 51.523 48.763 68.347 191 1HD1 ILE 26 3HD1 ILE 26 50.207 50.350 68.516 192 2HD1 ILE 26 2HD1 ILE 26 49.368 48.749 68.379 193 3HD1 ILE 26 1HD1 ILE 26 48.433 50.193 68.846 194 H ASP 27 H ASP 27 52.861 46.440 70.975 195 HA ASP 27 HA ASP 27 51.581 44.355 72.363 196 1HB ASP 27 2HB ASP 27 49.926 45.311 70.226 197 2HB ASP 27 1HB ASP 27 50.640 43.710 69.664 198 H PHE 28 H PHE 28 52.929 42.573 72.263 199 HA PHE 28 HA PHE 28 55.076 42.855 70.241 200 1HB PHE 28 2HB PHE 28 54.502 40.791 72.469 201 2HB PHE 28 1HB PHE 28 55.992 40.759 71.446 202 HD1 PHE 28 HD1 PHE 28 54.082 42.614 74.095 203 HD2 PHE 28 HD2 PHE 28 57.637 42.520 71.726 204 HE1 PHE 28 HE1 PHE 28 55.150 44.358 75.632 205 HE2 PHE 28 HE2 PHE 28 58.694 44.224 73.204 206 HZ PHE 28 HZ PHE 28 57.467 45.133 75.137 207 H ALA 29 H ALA 29 52.154 41.867 69.528 208 HA ALA 29 HA ALA 29 53.044 40.395 67.212 209 1HB ALA 29 2HB ALA 29 53.208 38.671 69.349 210 2HB ALA 29 1HB ALA 29 51.426 38.595 69.228 211 3HB ALA 29 3HB ALA 29 52.447 38.130 67.762 212 H THR 30 H THR 30 52.127 42.085 66.673 213 HA THR 30 HA THR 30 49.175 41.695 66.499 214 HB THR 30 HB THR 30 50.631 44.112 67.137 215 HG1 THR 30 1HG THR 30 48.161 44.411 67.479 216 1HG2 THR 30 1HG2 THR 30 48.186 44.098 65.110 217 2HG2 THR 30 3HG2 THR 30 48.939 45.556 65.909 218 3HG2 THR 30 2HG2 THR 30 49.851 44.646 64.633 219 H ARG 31 H ARG 31 52.042 42.325 64.729 220 HA ARG 31 HA ARG 31 51.216 43.119 62.155 221 1HB ARG 31 2HB ARG 31 53.445 42.576 61.485 222 2HB ARG 31 1HB ARG 31 53.592 42.945 63.235 223 1HG ARG 31 2HG ARG 31 53.011 40.175 63.238 224 2HG ARG 31 1HG ARG 31 53.939 40.364 61.713 225 1HD ARG 31 2HD ARG 31 55.245 41.981 63.714 226 2HD ARG 31 1HD ARG 31 54.932 40.391 64.559 227 HE ARG 31 HE ARG 31 55.843 39.466 62.253 228 1HH1 ARG 31 1HH2 ARG 31 57.311 42.163 64.329 229 2HH1 ARG 31 2HH2 ARG 31 58.899 41.739 63.760 230 1HH2 ARG 31 2HH1 ARG 31 57.904 39.127 61.675 231 2HH2 ARG 31 1HH1 ARG 31 59.326 40.039 62.266 232 H LYS 32 H LYS 32 52.406 41.300 60.417 233 HA LYS 32 HA LYS 32 51.921 39.456 59.153 234 1HB LYS 32 2HB LYS 32 52.222 38.405 61.549 235 2HB LYS 32 1HB LYS 32 50.394 38.219 61.495 236 1HG LYS 32 2HG LYS 32 50.568 36.825 59.413 237 2HG LYS 32 1HG LYS 32 52.326 37.156 59.318 238 1HD LYS 32 2HD LYS 32 52.919 35.834 61.089 239 2HD LYS 32 1HD LYS 32 51.371 36.183 61.955 240 1HE LYS 32 2HE LYS 32 51.329 34.666 59.291 241 2HE LYS 32 1HE LYS 32 51.707 33.731 60.819 242 1HZ LYS 32 3HZ LYS 32 49.684 34.656 61.789 243 2HZ LYS 32 2HZ LYS 32 49.298 35.366 60.330 244 3HZ LYS 32 1HZ LYS 32 49.317 33.706 60.498 245 H ILE 33 H ILE 33 50.541 41.754 59.266 246 HA ILE 33 HA ILE 33 48.128 40.813 57.980 247 HB ILE 33 HB ILE 33 48.153 41.956 60.747 248 1HG1 ILE 33 2HG1 ILE 33 45.535 40.844 60.094 249 2HG1 ILE 33 1HG1 ILE 33 46.839 39.820 59.313 250 1HG2 ILE 33 2HG2 ILE 33 46.179 42.962 58.606 251 2HG2 ILE 33 1HG2 ILE 33 45.763 42.966 60.373 252 3HG2 ILE 33 3HG2 ILE 33 47.160 43.974 59.731 253 1HD1 ILE 33 3HD1 ILE 33 48.066 39.882 61.534 254 2HD1 ILE 33 2HD1 ILE 33 46.615 40.779 62.213 255 3HD1 ILE 33 1HD1 ILE 33 46.441 39.064 61.705 256 H ALA 34 H ALA 34 49.603 43.683 59.611 257 HA ALA 34 HA ALA 34 48.650 45.499 57.406 258 1HB ALA 34 3HB ALA 34 49.023 45.725 60.252 259 2HB ALA 34 2HB ALA 34 50.421 46.585 59.565 260 3HB ALA 34 1HB ALA 34 48.739 47.100 59.074 261 H VAL 35 H VAL 35 50.834 43.437 57.289 262 HA VAL 35 HA VAL 35 53.440 44.358 57.026 263 HB VAL 35 HB VAL 35 51.702 42.675 55.133 264 1HG1 VAL 35 1HG1 VAL 35 54.608 43.644 55.005 265 2HG1 VAL 35 3HG1 VAL 35 54.382 41.943 54.525 266 3HG1 VAL 35 2HG1 VAL 35 53.526 43.265 53.616 267 1HG2 VAL 35 3HG2 VAL 35 53.124 42.152 57.664 268 2HG2 VAL 35 2HG2 VAL 35 52.042 41.074 56.684 269 3HG2 VAL 35 1HG2 VAL 35 53.816 41.100 56.339 270 H ARG 36 H ARG 36 50.776 44.898 55.103 271 HA ARG 36 HA ARG 36 51.651 47.434 53.783 272 1HB ARG 36 2HB ARG 36 52.320 46.141 51.889 273 2HB ARG 36 1HB ARG 36 51.116 44.795 52.259 274 1HG ARG 36 2HG ARG 36 50.145 45.754 50.401 275 2HG ARG 36 1HG ARG 36 49.295 46.707 51.646 276 1HD ARG 36 2HD ARG 36 50.204 48.587 50.847 277 2HD ARG 36 1HD ARG 36 51.891 47.970 51.097 278 HE ARG 36 HE ARG 36 50.926 46.572 48.861 279 1HH1 ARG 36 2HH1 ARG 36 51.254 50.003 49.715 280 2HH1 ARG 36 1HH1 ARG 36 51.445 50.528 48.019 281 1HH2 ARG 36 2HH2 ARG 36 51.170 47.365 46.569 282 2HH2 ARG 36 1HH2 ARG 36 51.387 49.074 46.292 283 H LEU 37 H LEU 37 50.298 48.488 52.869 284 HA LEU 37 HA LEU 37 47.950 48.542 52.130 285 1HB LEU 37 2HB LEU 37 46.200 48.531 53.930 286 2HB LEU 37 1HB LEU 37 47.148 47.038 54.233 287 HG LEU 37 HG LEU 37 47.580 49.814 55.349 288 1HD1 LEU 37 3HD1 LEU 37 45.618 48.747 56.323 289 2HD1 LEU 37 2HD1 LEU 37 46.658 47.300 56.869 290 3HD1 LEU 37 1HD1 LEU 37 46.842 48.912 57.638 291 1HD2 LEU 37 2HD2 LEU 37 48.962 47.107 56.210 292 2HD2 LEU 37 1HD2 LEU 37 49.838 48.544 55.448 293 3HD2 LEU 37 3HD2 LEU 37 49.091 48.676 57.060 294 H THR 38 H THR 38 50.245 49.778 54.094 295 HA THR 38 HA THR 38 49.236 52.393 54.611 296 HB THR 38 HB THR 38 50.732 50.600 55.727 297 HG1 THR 38 1HG THR 38 50.649 53.351 55.939 298 1HG2 THR 38 2HG2 THR 38 52.722 50.956 53.935 299 2HG2 THR 38 1HG2 THR 38 52.987 52.492 54.857 300 3HG2 THR 38 3HG2 THR 38 53.124 50.935 55.732 301 H GLN 39 H GLN 39 48.902 52.508 51.907 302 HA GLN 39 HA GLN 39 51.270 54.120 51.050 303 1HB GLN 39 2HB GLN 39 50.991 51.949 49.835 304 2HB GLN 39 1HB GLN 39 49.282 52.488 49.447 305 1HG GLN 39 2HG GLN 39 50.242 54.550 48.332 306 2HG GLN 39 1HG GLN 39 51.896 54.050 48.910 307 1HE2 GLN 39 2HE2 GLN 39 52.623 51.782 46.442 308 2HE2 GLN 39 1HE2 GLN 39 52.974 52.628 47.949 309 H THR 40 H THR 40 51.059 55.777 50.051 310 HA THR 40 HA THR 40 50.323 57.559 48.826 311 HB THR 40 HB THR 40 47.521 56.968 49.909 312 HG1 THR 40 1HG THR 40 48.278 57.020 47.202 313 1HG2 THR 40 2HG2 THR 40 48.919 59.352 48.722 314 2HG2 THR 40 1HG2 THR 40 47.433 58.900 47.720 315 3HG2 THR 40 3HG2 THR 40 47.244 59.301 49.432 316 H LYS 41 H LYS 41 51.776 57.884 50.613 317 HA LYS 41 HA LYS 41 50.613 59.248 52.971 318 1HB LYS 41 2HB LYS 41 53.022 58.451 53.292 319 2HB LYS 41 1HB LYS 41 53.409 59.150 51.680 320 1HG LYS 41 2HG LYS 41 52.387 61.138 53.746 321 2HG LYS 41 1HG LYS 41 53.948 60.305 54.097 322 1HD LYS 41 2HD LYS 41 54.695 60.985 51.706 323 2HD LYS 41 1HD LYS 41 53.171 61.897 51.503 324 1HE LYS 41 2HE LYS 41 54.460 63.638 52.246 325 2HE LYS 41 1HE LYS 41 53.776 62.973 53.817 326 1HZ LYS 41 2HZ LYS 41 56.437 62.303 52.614 327 2HZ LYS 41 1HZ LYS 41 56.239 63.472 53.817 328 3HZ LYS 41 3HZ LYS 41 55.871 61.870 54.110 329 H ILE 42 H ILE 42 50.556 61.700 53.114 330 HA ILE 42 HA ILE 42 51.345 63.076 50.550 331 HB ILE 42 HB ILE 42 48.566 63.748 51.724 332 1HG1 ILE 42 2HG1 ILE 42 48.485 62.601 49.094 333 2HG1 ILE 42 1HG1 ILE 42 49.248 61.350 50.187 334 1HG2 ILE 42 1HG2 ILE 42 50.147 64.540 49.306 335 2HG2 ILE 42 3HG2 ILE 42 48.375 64.556 49.196 336 3HG2 ILE 42 2HG2 ILE 42 49.197 65.574 50.441 337 1HD1 ILE 42 1HD1 ILE 42 46.884 62.801 51.316 338 2HD1 ILE 42 3HD1 ILE 42 46.439 61.624 49.997 339 3HD1 ILE 42 2HD1 ILE 42 47.345 61.036 51.422 340 H ILE 43 H ILE 43 51.366 65.346 50.607 341 HA ILE 43 HA ILE 43 51.797 66.440 53.416 342 HB ILE 43 HB ILE 43 53.689 65.524 52.162 343 1HG1 ILE 43 2HG1 ILE 43 53.832 68.634 52.443 344 2HG1 ILE 43 1HG1 ILE 43 53.599 67.514 53.842 345 1HG2 ILE 43 3HG2 ILE 43 52.756 66.602 49.890 346 2HG2 ILE 43 2HG2 ILE 43 53.600 68.143 50.431 347 3HG2 ILE 43 1HG2 ILE 43 54.572 66.649 50.154 348 1HD1 ILE 43 2HD1 ILE 43 55.843 66.938 51.790 349 2HD1 ILE 43 1HD1 ILE 43 56.057 68.372 52.880 350 3HD1 ILE 43 3HD1 ILE 43 55.830 66.672 53.540 351 H VAL 44 H VAL 44 51.320 68.491 53.697 352 HA VAL 44 HA VAL 44 50.483 70.210 51.333 353 HB VAL 44 HB VAL 44 48.693 69.418 53.665 354 1HG1 VAL 44 1HG1 VAL 44 48.796 71.871 52.087 355 2HG1 VAL 44 3HG1 VAL 44 47.271 70.940 51.656 356 3HG1 VAL 44 2HG1 VAL 44 47.635 71.376 53.382 357 1HG2 VAL 44 2HG2 VAL 44 48.387 69.027 50.641 358 2HG2 VAL 44 1HG2 VAL 44 48.548 67.666 51.796 359 3HG2 VAL 44 3HG2 VAL 44 47.040 68.618 51.823 360 H GLN 45 H GLN 45 52.395 71.320 52.114 361 HA GLN 45 HA GLN 45 52.254 72.568 54.777 362 1HB GLN 45 2HB GLN 45 54.299 71.494 53.560 363 2HB GLN 45 1HB GLN 45 54.274 72.954 52.477 364 1HG GLN 45 2HG GLN 45 53.978 73.701 55.330 365 2HG GLN 45 1HG GLN 45 55.367 72.501 55.139 366 1HE2 GLN 45 2HE2 GLN 45 55.532 76.266 53.442 367 2HE2 GLN 45 1HE2 GLN 45 53.898 75.486 54.050 368 H ASP 46 H ASP 46 50.490 73.765 54.584 369 HA ASP 46 HA ASP 46 50.457 75.794 52.497 370 1HB ASP 46 2HB ASP 46 48.533 74.661 53.758 371 2HB ASP 46 1HB ASP 46 48.739 75.917 55.094 372 H GLY 47 H GLY 47 51.999 75.705 55.511 373 1HA GLY 47 1HA GLY 47 53.614 77.788 55.496 374 2HA GLY 47 2HA GLY 47 52.051 78.704 55.890 375 H ASP 48 H ASP 48 51.346 78.698 57.790 376 HA ASP 48 HA ASP 48 52.964 77.308 59.935 377 1HB ASP 48 2HB ASP 48 52.330 79.955 59.780 378 2HB ASP 48 1HB ASP 48 50.898 79.352 60.817 379 H ASN 49 H ASN 49 51.274 75.931 58.477 380 HA ASN 49 HA ASN 49 49.780 74.269 60.275 381 1HB ASN 49 2HB ASN 49 48.174 76.406 58.703 382 2HB ASN 49 1HB ASN 49 47.485 74.721 58.961 383 1HD2 ASN 49 1HD2 ASN 49 47.231 77.429 61.857 384 2HD2 ASN 49 2HD2 ASN 49 47.703 77.755 60.037 385 H PHE 50 H PHE 50 51.115 72.941 59.452 386 HA PHE 50 HA PHE 50 50.839 72.097 56.653 387 1HB PHE 50 2HB PHE 50 53.074 72.616 57.237 388 2HB PHE 50 1HB PHE 50 52.946 71.864 58.884 389 HD1 PHE 50 HD2 PHE 50 52.524 69.494 59.183 390 HD2 PHE 50 HD1 PHE 50 53.818 71.228 55.467 391 HE1 PHE 50 HE2 PHE 50 53.343 67.185 58.420 392 HE2 PHE 50 HE1 PHE 50 54.644 68.963 54.696 393 HZ PHE 50 HZ PHE 50 54.361 67.076 56.214 394 H LYS 51 H LYS 51 50.139 70.064 56.039 395 HA LYS 51 HA LYS 51 49.659 68.329 58.378 396 1HB LYS 51 2HB LYS 51 47.430 69.036 56.365 397 2HB LYS 51 1HB LYS 51 47.260 68.022 57.843 398 1HG LYS 51 2HG LYS 51 47.835 70.069 59.252 399 2HG LYS 51 1HG LYS 51 47.964 71.051 57.757 400 1HD LYS 51 2HD LYS 51 45.604 70.345 57.183 401 2HD LYS 51 1HD LYS 51 45.537 69.444 58.772 402 1HE LYS 51 2HE LYS 51 45.160 71.272 59.957 403 2HE LYS 51 1HE LYS 51 46.437 72.270 59.080 404 1HZ LYS 51 2HZ LYS 51 43.683 71.600 58.058 405 2HZ LYS 51 1HZ LYS 51 44.140 73.035 58.810 406 3HZ LYS 51 3HZ LYS 51 44.860 72.627 57.371 407 H THR 52 H THR 52 51.138 66.894 57.685 408 HA THR 52 HA THR 52 50.840 65.770 54.980 409 HB THR 52 HB THR 52 52.602 65.361 57.436 410 HG1 THR 52 1HG THR 52 53.883 64.775 55.539 411 1HG2 THR 52 3HG2 THR 52 51.680 62.998 55.642 412 2HG2 THR 52 2HG2 THR 52 53.283 63.004 56.479 413 3HG2 THR 52 1HG2 THR 52 51.743 62.959 57.452 414 H LYS 53 H LYS 53 49.329 64.550 54.305 415 HA LYS 53 HA LYS 53 47.981 62.755 56.421 416 1HB LYS 53 2HB LYS 53 45.811 63.708 55.745 417 2HB LYS 53 1HB LYS 53 46.891 65.050 55.265 418 1HG LYS 53 2HG LYS 53 45.506 64.650 53.395 419 2HG LYS 53 1HG LYS 53 47.041 63.778 52.940 420 1HD LYS 53 2HD LYS 53 45.859 61.886 52.706 421 2HD LYS 53 1HD LYS 53 45.370 61.991 54.459 422 1HE LYS 53 2HE LYS 53 43.287 62.796 54.055 423 2HE LYS 53 1HE LYS 53 43.832 63.861 52.695 424 1HZ LYS 53 1HZ LYS 53 44.053 61.572 51.474 425 2HZ LYS 53 3HZ LYS 53 42.868 61.114 52.628 426 3HZ LYS 53 2HZ LYS 53 42.587 62.322 51.581 427 H THR 54 H THR 54 47.345 60.836 55.837 428 HA THR 54 HA THR 54 48.602 59.927 53.279 429 HB THR 54 HB THR 54 49.630 59.098 55.264 430 HG1 THR 54 1HG THR 54 49.652 56.944 54.610 431 1HG2 THR 54 2HG2 THR 54 46.827 58.381 55.940 432 2HG2 THR 54 1HG2 THR 54 47.872 56.859 55.853 433 3HG2 THR 54 3HG2 THR 54 48.253 58.179 56.999 434 H ASN 55 H ASN 55 47.670 57.699 52.572 435 HA ASN 55 HA ASN 55 44.711 57.621 52.757 436 1HB ASN 55 2HB ASN 55 45.538 59.338 51.024 437 2HB ASN 55 1HB ASN 55 45.721 57.821 49.916 438 1HD2 ASN 55 2HD2 ASN 55 42.151 59.137 51.560 439 2HD2 ASN 55 1HD2 ASN 55 43.846 59.489 52.326 440 H SER 56 H SER 56 46.591 56.010 53.597 441 HA SER 56 HA SER 56 47.204 53.524 52.193 442 1HB SER 56 2HB SER 56 47.310 52.756 54.736 443 2HB SER 56 1HB SER 56 48.419 54.067 54.068 444 HG SER 56 HG SER 56 46.016 54.776 55.294 445 H THR 57 H THR 57 46.175 51.700 51.966 446 HA THR 57 HA THR 57 43.462 51.541 51.556 447 HB THR 57 HB THR 57 43.961 48.905 52.255 448 HG1 THR 57 1HG THR 57 46.393 49.895 51.207 449 1HG2 THR 57 2HG2 THR 57 43.670 50.522 49.909 450 2HG2 THR 57 1HG2 THR 57 45.172 49.561 49.657 451 3HG2 THR 57 3HG2 THR 57 43.560 48.742 50.080 452 H PHE 58 H PHE 58 45.265 50.786 54.509 453 HA PHE 58 HA PHE 58 43.144 51.971 56.039 454 1HB PHE 58 2HB PHE 58 42.205 49.974 57.323 455 2HB PHE 58 1HB PHE 58 41.812 49.889 55.556 456 HD1 PHE 58 HD2 PHE 58 43.535 48.789 54.076 457 HD2 PHE 58 HD1 PHE 58 43.351 48.050 58.332 458 HE1 PHE 58 HE2 PHE 58 44.810 46.748 53.732 459 HE2 PHE 58 HE1 PHE 58 44.682 45.919 57.947 460 HZ PHE 58 HZ PHE 58 45.394 45.360 55.655 461 H ARG 59 H ARG 59 44.696 53.061 56.548 462 HA ARG 59 HA ARG 59 45.477 52.831 59.312 463 1HB ARG 59 2HB ARG 59 47.062 50.889 58.105 464 2HB ARG 59 1HB ARG 59 48.034 52.361 57.694 465 1HG ARG 59 2HG ARG 59 48.605 51.133 59.857 466 2HG ARG 59 1HG ARG 59 48.246 52.918 60.054 467 1HD ARG 59 2HD ARG 59 45.804 51.202 60.467 468 2HD ARG 59 1HD ARG 59 47.223 50.748 61.498 469 HE ARG 59 HE ARG 59 45.757 53.292 61.645 470 1HH1 ARG 59 2HH2 ARG 59 48.843 51.464 62.180 471 2HH1 ARG 59 1HH2 ARG 59 49.350 52.556 63.411 472 1HH2 ARG 59 1HH1 ARG 59 46.571 54.715 63.355 473 2HH2 ARG 59 2HH1 ARG 59 48.117 54.371 64.087 474 H ASN 60 H ASN 60 44.398 54.526 58.026 475 HA ASN 60 HA ASN 60 46.405 56.553 57.192 476 1HB ASN 60 2HB ASN 60 43.385 57.002 57.674 477 2HB ASN 60 1HB ASN 60 44.454 58.006 56.539 478 1HD2 ASN 60 2HD2 ASN 60 42.561 54.689 55.323 479 2HD2 ASN 60 1HD2 ASN 60 42.344 55.446 56.888 480 H TYR 61 H TYR 61 47.507 57.425 58.589 481 HA TYR 61 HA TYR 61 46.205 58.625 61.043 482 1HB TYR 61 2HB TYR 61 47.804 56.559 61.334 483 2HB TYR 61 1HB TYR 61 49.148 57.746 60.974 484 HD1 TYR 61 HD1 TYR 61 46.015 57.337 63.001 485 HD2 TYR 61 HD2 TYR 61 49.992 59.045 62.787 486 HE1 TYR 61 HE1 TYR 61 45.760 58.154 65.295 487 HE2 TYR 61 HE2 TYR 61 49.745 59.873 65.092 488 HH TYR 61 HH TYR 61 47.496 60.490 66.538 489 H ASP 62 H ASP 62 45.893 60.484 60.309 490 HA ASP 62 HA ASP 62 47.624 62.035 58.608 491 1HB ASP 62 2HB ASP 62 46.205 64.034 59.544 492 2HB ASP 62 1HB ASP 62 45.357 62.651 58.602 493 H LEU 63 H LEU 63 48.671 63.854 58.847 494 HA LEU 63 HA LEU 63 50.054 64.301 61.510 495 1HB LEU 63 2HB LEU 63 51.329 63.401 59.292 496 2HB LEU 63 1HB LEU 63 51.139 65.137 58.750 497 HG LEU 63 HG LEU 63 52.389 65.849 60.771 498 1HD1 LEU 63 2HD1 LEU 63 51.667 63.090 61.500 499 2HD1 LEU 63 1HD1 LEU 63 53.396 63.490 61.989 500 3HD1 LEU 63 3HD1 LEU 63 52.030 64.495 62.564 501 1HD2 LEU 63 3HD2 LEU 63 53.432 64.036 58.648 502 2HD2 LEU 63 2HD2 LEU 63 54.280 65.417 59.530 503 3HD2 LEU 63 1HD2 LEU 63 54.305 63.756 60.229 504 H ASP 64 H ASP 64 47.637 65.567 61.061 505 HA ASP 64 HA ASP 64 48.170 68.240 59.915 506 1HB ASP 64 2HB ASP 64 45.801 68.569 60.707 507 2HB ASP 64 1HB ASP 64 45.982 67.117 59.537 508 H PHE 65 H PHE 65 49.689 69.206 61.139 509 HA PHE 65 HA PHE 65 48.723 70.207 63.747 510 1HB PHE 65 2HB PHE 65 51.042 69.831 64.772 511 2HB PHE 65 1HB PHE 65 50.110 68.367 64.323 512 HD1 PHE 65 HD1 PHE 65 52.202 70.411 61.750 513 HD2 PHE 65 HD2 PHE 65 51.662 66.889 64.244 514 HE1 PHE 65 HE1 PHE 65 53.992 69.324 60.622 515 HE2 PHE 65 HE2 PHE 65 53.484 65.823 63.087 516 HZ PHE 65 HZ PHE 65 54.710 67.016 61.229 517 H THR 66 H THR 66 51.428 71.554 63.958 518 HA THR 66 HA THR 66 51.647 73.139 61.473 519 HB THR 66 HB THR 66 50.803 75.095 62.296 520 HG1 THR 66 1HG THR 66 51.142 75.159 64.849 521 1HG2 THR 66 2HG2 THR 66 49.071 73.325 63.264 522 2HG2 THR 66 1HG2 THR 66 49.898 73.579 64.895 523 3HG2 THR 66 3HG2 THR 66 49.085 74.968 64.035 524 H VAL 67 H VAL 67 53.103 75.053 62.085 525 HA VAL 67 HA VAL 67 55.603 73.685 62.968 526 HB VAL 67 HB VAL 67 54.873 76.542 62.137 527 1HG1 VAL 67 2HG1 VAL 67 57.259 75.655 63.404 528 2HG1 VAL 67 1HG1 VAL 67 57.642 75.413 61.668 529 3HG1 VAL 67 3HG1 VAL 67 57.161 77.114 62.284 530 1HG2 VAL 67 1HG2 VAL 67 54.410 74.836 60.437 531 2HG2 VAL 67 3HG2 VAL 67 55.687 75.969 59.925 532 3HG2 VAL 67 2HG2 VAL 67 56.135 74.268 60.474 533 H GLY 68 H GLY 68 56.248 73.422 64.796 534 1HA GLY 68 1HA GLY 68 56.775 73.800 66.929 535 2HA GLY 68 2HA GLY 68 56.542 75.641 66.618 536 H VAL 69 H VAL 69 53.750 73.741 66.036 537 HA VAL 69 HA VAL 69 52.222 75.031 68.078 538 HB VAL 69 HB VAL 69 51.551 73.606 65.975 539 1HG1 VAL 69 3HG1 VAL 69 53.126 71.725 66.621 540 2HG1 VAL 69 2HG1 VAL 69 51.751 71.093 67.636 541 3HG1 VAL 69 1HG1 VAL 69 51.472 71.357 65.905 542 1HG2 VAL 69 3HG2 VAL 69 50.083 74.015 68.403 543 2HG2 VAL 69 2HG2 VAL 69 49.390 73.112 66.920 544 3HG2 VAL 69 1HG2 VAL 69 50.142 72.238 68.276 545 H GLU 70 H GLU 70 54.522 72.355 68.157 546 HA GLU 70 HA GLU 70 54.948 70.851 69.920 547 1HB GLU 70 2HB GLU 70 54.239 73.443 71.124 548 2HB GLU 70 1HB GLU 70 53.619 72.109 72.188 549 1HG GLU 70 2HG GLU 70 56.412 71.779 71.130 550 2HG GLU 70 1HG GLU 70 56.089 73.050 72.485 551 H PHE 71 H PHE 71 53.646 69.991 68.496 552 HA PHE 71 HA PHE 71 50.858 69.518 68.999 553 1HB PHE 71 2HB PHE 71 51.966 69.106 66.815 554 2HB PHE 71 1HB PHE 71 52.587 67.515 67.491 555 HD1 PHE 71 HD1 PHE 71 49.366 69.505 67.593 556 HD2 PHE 71 HD2 PHE 71 51.203 65.713 66.876 557 HE1 PHE 71 HE1 PHE 71 47.170 68.510 67.140 558 HE2 PHE 71 HE2 PHE 71 48.978 64.708 66.435 559 HZ PHE 71 HZ PHE 71 46.925 66.147 66.566 560 H ASP 72 H ASP 72 49.676 68.032 69.798 561 HA ASP 72 HA ASP 72 50.851 66.136 71.791 562 1HB ASP 72 2HB ASP 72 49.049 67.857 72.469 563 2HB ASP 72 1HB ASP 72 47.894 66.997 71.319 564 H GLU 73 H GLU 73 51.331 64.375 70.862 565 HA GLU 73 HA GLU 73 49.853 63.073 68.605 566 1HB GLU 73 2HB GLU 73 52.319 62.882 70.065 567 2HB GLU 73 1HB GLU 73 51.535 61.255 70.205 568 1HG GLU 73 2HG GLU 73 51.972 62.903 67.617 569 2HG GLU 73 1HG GLU 73 52.853 61.309 68.128 570 H HIS 74 H HIS 74 47.961 63.520 69.607 571 HA HIS 74 HA HIS 74 47.031 61.795 71.807 572 1HB HIS 74 2HB HIS 74 46.325 64.217 71.178 573 2HB HIS 74 1HB HIS 74 45.450 63.500 69.753 574 HD1 HIS 74 HD1 HIS 74 45.577 61.887 73.205 575 HD2 HIS 74 HD2 HIS 74 42.869 63.883 70.652 576 HE1 HIS 74 HE1 HIS 74 43.260 61.592 74.274 577 HE2 HIS 74 HE2 HIS 74 41.603 62.836 72.683 578 H THR 75 H THR 75 46.532 59.861 71.634 579 HA THR 75 HA THR 75 44.837 58.803 69.453 580 HB THR 75 HB THR 75 46.644 58.275 68.211 581 HG1 THR 75 1HG THR 75 47.841 56.394 69.212 582 1HG2 THR 75 3HG2 THR 75 48.019 58.462 71.088 583 2HG2 THR 75 2HG2 THR 75 49.005 57.927 69.674 584 3HG2 THR 75 1HG2 THR 75 48.309 59.594 69.706 585 H LYS 76 H LYS 76 44.857 56.382 69.599 586 HA LYS 76 HA LYS 76 44.929 55.169 72.352 587 1HB LYS 76 2HB LYS 76 42.419 54.345 71.591 588 2HB LYS 76 1HB LYS 76 42.860 55.581 72.863 589 1HG LYS 76 2HG LYS 76 42.650 56.577 69.974 590 2HG LYS 76 1HG LYS 76 41.148 56.027 70.797 591 1HD LYS 76 2HD LYS 76 42.880 57.752 72.516 592 2HD LYS 76 1HD LYS 76 42.145 58.587 71.050 593 1HE LYS 76 2HE LYS 76 40.511 56.670 72.836 594 2HE LYS 76 1HE LYS 76 40.778 58.363 73.430 595 1HZ LYS 76 3HZ LYS 76 39.812 59.032 71.138 596 2HZ LYS 76 2HZ LYS 76 39.206 57.464 71.127 597 3HZ LYS 76 1HZ LYS 76 38.840 58.473 72.373 598 H GLY 77 H GLY 77 43.668 54.984 69.124 599 1HA GLY 77 1HA GLY 77 43.449 52.276 68.530 600 2HA GLY 77 2HA GLY 77 44.041 53.531 67.347 601 H LEU 78 H LEU 78 46.245 54.364 68.867 602 HA LEU 78 HA LEU 78 48.096 52.030 68.507 603 1HB LEU 78 2HB LEU 78 48.057 53.945 66.694 604 2HB LEU 78 1HB LEU 78 48.769 54.998 68.013 605 HG LEU 78 HG LEU 78 50.358 52.809 68.176 606 1HD1 LEU 78 3HD1 LEU 78 48.849 51.900 66.106 607 2HD1 LEU 78 2HD1 LEU 78 50.119 52.748 65.180 608 3HD1 LEU 78 1HD1 LEU 78 50.560 51.441 66.428 609 1HD2 LEU 78 2HD2 LEU 78 50.893 55.316 67.559 610 2HD2 LEU 78 1HD2 LEU 78 52.017 54.152 66.800 611 3HD2 LEU 78 3HD2 LEU 78 50.670 54.938 65.838 612 H ASP 79 H ASP 79 47.842 51.657 70.684 613 HA ASP 79 HA ASP 79 49.067 51.427 72.601 614 1HB ASP 79 2HB ASP 79 50.929 52.564 71.652 615 2HB ASP 79 1HB ASP 79 50.296 54.233 72.230 616 H GLY 80 H GLY 80 48.519 54.838 71.991 617 1HA GLY 80 1HA GLY 80 46.984 56.316 72.627 618 2HA GLY 80 2HA GLY 80 46.219 55.088 73.813 619 H ARG 81 H ARG 81 47.519 58.023 73.416 620 HA ARG 81 HA ARG 81 47.964 58.338 76.234 621 1HB ARG 81 2HB ARG 81 50.521 58.840 76.190 622 2HB ARG 81 1HB ARG 81 50.062 57.100 76.083 623 1HG ARG 81 2HG ARG 81 50.203 57.288 73.546 624 2HG ARG 81 1HG ARG 81 50.778 58.961 73.676 625 1HD ARG 81 2HD ARG 81 52.332 56.727 73.549 626 2HD ARG 81 1HD ARG 81 52.903 58.215 74.476 627 HE ARG 81 HE ARG 81 51.980 57.107 76.521 628 1HH1 ARG 81 1HH1 ARG 81 53.137 55.020 73.697 629 2HH1 ARG 81 2HH1 ARG 81 53.485 53.689 74.743 630 1HH2 ARG 81 1HH2 ARG 81 52.470 55.303 77.778 631 2HH2 ARG 81 2HH2 ARG 81 53.113 53.816 77.061 632 H ASN 82 H ASN 82 50.424 60.399 75.011 633 HA ASN 82 HA ASN 82 49.185 62.301 73.568 634 1HB ASN 82 2HB ASN 82 48.642 63.999 75.601 635 2HB ASN 82 1HB ASN 82 47.347 62.664 75.250 636 1HD2 ASN 82 2HD2 ASN 82 47.571 62.247 78.698 637 2HD2 ASN 82 1HD2 ASN 82 46.738 63.074 77.360 638 H VAL 83 H VAL 83 51.399 61.738 73.338 639 HA VAL 83 HA VAL 83 53.363 63.215 75.044 640 HB VAL 83 HB VAL 83 54.227 62.123 72.435 641 1HG1 VAL 83 3HG1 VAL 83 55.426 62.700 74.893 642 2HG1 VAL 83 2HG1 VAL 83 55.457 60.885 74.848 643 3HG1 VAL 83 1HG1 VAL 83 56.219 61.839 73.516 644 1HG2 VAL 83 3HG2 VAL 83 52.821 60.469 74.557 645 2HG2 VAL 83 2HG2 VAL 83 52.835 60.263 72.724 646 3HG2 VAL 83 1HG2 VAL 83 54.293 59.755 73.690 647 H LYS 84 H LYS 84 54.881 64.704 74.180 648 HA LYS 84 HA LYS 84 53.590 66.617 72.436 649 1HB LYS 84 2HB LYS 84 56.549 66.417 73.256 650 2HB LYS 84 1HB LYS 84 55.777 67.868 72.457 651 1HG LYS 84 2HG LYS 84 55.166 66.726 75.227 652 2HG LYS 84 1HG LYS 84 55.800 68.415 74.777 653 1HD LYS 84 2HD LYS 84 53.655 69.006 75.035 654 2HD LYS 84 1HD LYS 84 53.472 68.339 73.345 655 1HE LYS 84 2HE LYS 84 52.517 66.237 74.073 656 2HE LYS 84 1HE LYS 84 53.207 66.506 75.775 657 1HZ LYS 84 1HZ LYS 84 51.617 68.641 75.645 658 2HZ LYS 84 3HZ LYS 84 50.792 67.660 74.587 659 3HZ LYS 84 2HZ LYS 84 51.092 67.131 76.125 660 H THR 85 H THR 85 54.794 67.512 70.654 661 HA THR 85 HA THR 85 56.390 65.878 68.822 662 HB THR 85 HB THR 85 53.461 65.543 68.937 663 HG1 THR 85 1HG THR 85 55.432 64.235 69.267 664 1HG2 THR 85 3HG2 THR 85 55.095 66.212 66.375 665 2HG2 THR 85 2HG2 THR 85 54.270 64.594 66.281 666 3HG2 THR 85 1HG2 THR 85 53.287 66.062 66.485 667 H LEU 86 H LEU 86 57.350 67.683 69.291 668 HA LEU 86 HA LEU 86 56.446 70.231 68.226 669 1HB LEU 86 2HB LEU 86 58.319 69.923 70.038 670 2HB LEU 86 1HB LEU 86 59.356 69.241 68.700 671 HG LEU 86 HG LEU 86 58.213 71.755 67.777 672 1HD1 LEU 86 1HD1 LEU 86 58.309 71.830 70.499 673 2HD1 LEU 86 3HD1 LEU 86 60.115 71.994 70.169 674 3HD1 LEU 86 2HD1 LEU 86 58.945 73.230 69.537 675 1HD2 LEU 86 2HD2 LEU 86 60.994 70.663 68.644 676 2HD2 LEU 86 1HD2 LEU 86 60.299 70.541 66.979 677 3HD2 LEU 86 3HD2 LEU 86 60.784 72.153 67.635 678 H VAL 87 H VAL 87 56.885 71.241 66.400 679 HA VAL 87 HA VAL 87 58.136 69.683 64.180 680 HB VAL 87 HB VAL 87 55.596 71.495 64.123 681 1HG1 VAL 87 2HG1 VAL 87 57.241 70.115 62.055 682 2HG1 VAL 87 1HG1 VAL 87 55.459 70.073 61.839 683 3HG1 VAL 87 3HG1 VAL 87 56.291 71.693 61.970 684 1HG2 VAL 87 1HG2 VAL 87 55.249 69.215 65.321 685 2HG2 VAL 87 3HG2 VAL 87 54.310 69.459 63.859 686 3HG2 VAL 87 2HG2 VAL 87 55.846 68.448 63.768 687 H THR 88 H THR 88 59.286 70.914 62.734 688 HA THR 88 HA THR 88 59.243 73.805 62.892 689 HB THR 88 HB THR 88 60.541 73.436 64.868 690 HG1 THR 88 1HG THR 88 62.803 73.829 63.817 691 1HG2 THR 88 1HG2 THR 88 61.133 70.961 64.027 692 2HG2 THR 88 3HG2 THR 88 62.610 71.832 63.345 693 3HG2 THR 88 2HG2 THR 88 62.239 71.737 65.156 694 H TRP 89 H TRP 89 61.240 74.599 61.695 695 HA TRP 89 HA TRP 89 61.598 73.223 59.037 696 1HB TRP 89 2HB TRP 89 61.714 76.108 60.194 697 2HB TRP 89 1HB TRP 89 62.373 75.766 58.551 698 HD1 TRP 89 HD1 TRP 89 59.128 76.608 60.169 699 HE1 TRP 89 HE1 TRP 89 57.290 75.689 58.606 700 HE3 TRP 89 HE3 TRP 89 61.965 73.793 57.241 701 HZ2 TRP 89 HZ2 TRP 89 57.135 73.818 56.288 702 HZ3 TRP 89 HZ3 TRP 89 61.076 72.400 55.378 703 HH2 TRP 89 HH2 TRP 89 58.727 72.476 55.030 704 H GLU 90 H GLU 90 63.671 72.526 58.365 705 HA GLU 90 HA GLU 90 65.713 72.966 60.482 706 1HB GLU 90 2HB GLU 90 65.093 70.757 58.955 707 2HB GLU 90 1HB GLU 90 66.367 71.555 57.932 708 1HG GLU 90 2HG GLU 90 66.662 70.535 60.893 709 2HG GLU 90 1HG GLU 90 67.442 69.934 59.307 710 H GLY 91 H GLY 91 64.861 73.635 57.276 711 1HA GLY 91 1HA GLY 91 65.244 75.803 56.258 712 2HA GLY 91 2HA GLY 91 66.972 75.747 56.828 713 H ASN 92 H ASN 92 64.467 73.912 55.411 714 HA ASN 92 HA ASN 92 64.994 73.272 52.832 715 1HB ASN 92 2HB ASN 92 67.240 72.493 52.959 716 2HB ASN 92 1HB ASN 92 67.012 71.752 54.640 717 1HD2 ASN 92 1HD2 ASN 92 66.029 68.680 53.648 718 2HD2 ASN 92 2HD2 ASN 92 66.493 69.821 54.869 719 H THR 93 H THR 93 64.631 71.780 55.978 720 HA THR 93 HA THR 93 62.277 70.263 54.855 721 HB THR 93 HB THR 93 64.429 68.901 55.083 722 HG1 THR 93 1HG THR 93 62.562 68.162 54.572 723 1HG2 THR 93 1HG2 THR 93 63.269 68.809 58.054 724 2HG2 THR 93 3HG2 THR 93 64.519 67.646 57.395 725 3HG2 THR 93 2HG2 THR 93 64.919 69.355 57.597 726 H LEU 94 H LEU 94 61.203 69.022 56.428 727 HA LEU 94 HA LEU 94 60.256 70.608 58.746 728 1HB LEU 94 2HB LEU 94 58.688 70.198 56.800 729 2HB LEU 94 1HB LEU 94 58.745 68.457 57.195 730 HG LEU 94 HG LEU 94 58.424 69.822 59.719 731 1HD1 LEU 94 3HD1 LEU 94 57.589 71.708 57.980 732 2HD1 LEU 94 2HD1 LEU 94 56.117 70.663 57.877 733 3HD1 LEU 94 1HD1 LEU 94 56.554 71.341 59.463 734 1HD2 LEU 94 2HD2 LEU 94 57.544 67.575 58.987 735 2HD2 LEU 94 1HD2 LEU 94 56.395 68.568 59.975 736 3HD2 LEU 94 3HD2 LEU 94 56.089 68.419 58.232 737 H VAL 95 H VAL 95 61.723 70.089 60.065 738 HA VAL 95 HA VAL 95 62.237 67.414 60.897 739 HB VAL 95 HB VAL 95 62.431 70.147 62.325 740 1HG1 VAL 95 2HG1 VAL 95 63.263 67.404 63.234 741 2HG1 VAL 95 1HG1 VAL 95 64.484 68.711 63.492 742 3HG1 VAL 95 3HG1 VAL 95 62.829 68.917 64.154 743 1HG2 VAL 95 3HG2 VAL 95 63.813 69.973 60.192 744 2HG2 VAL 95 2HG2 VAL 95 64.813 70.166 61.707 745 3HG2 VAL 95 1HG2 VAL 95 64.648 68.509 60.879 746 H CYS 96 H CYS 96 61.003 66.234 62.576 747 HA CYS 96 HA CYS 96 59.473 67.912 64.421 748 1HB CYS 96 2HB CYS 96 58.126 65.305 63.610 749 2HB CYS 96 1HB CYS 96 57.350 66.829 64.049 750 HG CYS 96 HG CYS 96 57.966 65.601 61.207 751 H VAL 97 H VAL 97 59.487 67.180 66.375 752 HA VAL 97 HA VAL 97 60.679 64.531 67.058 753 HB VAL 97 HB VAL 97 61.182 67.007 68.640 754 1HG1 VAL 97 2HG1 VAL 97 62.407 64.240 68.216 755 2HG1 VAL 97 1HG1 VAL 97 63.623 65.527 67.865 756 3HG1 VAL 97 3HG1 VAL 97 62.757 65.493 69.473 757 1HG2 VAL 97 3HG2 VAL 97 62.221 66.421 65.866 758 2HG2 VAL 97 2HG2 VAL 97 61.567 68.016 66.539 759 3HG2 VAL 97 1HG2 VAL 97 63.207 67.375 67.013 760 H GLN 98 H GLN 98 59.500 63.416 68.293 761 HA GLN 98 HA GLN 98 57.216 64.462 69.879 762 1HB GLN 98 2HB GLN 98 56.860 62.412 68.760 763 2HB GLN 98 1HB GLN 98 58.479 61.701 69.321 764 1HG GLN 98 2HG GLN 98 57.425 60.818 71.204 765 2HG GLN 98 1HG GLN 98 56.650 62.409 71.598 766 1HE2 GLN 98 2HE2 GLN 98 54.499 59.447 70.325 767 2HE2 GLN 98 1HE2 GLN 98 56.093 59.352 71.168 768 H LYS 99 H LYS 99 57.889 65.630 71.354 769 HA LYS 99 HA LYS 99 60.070 64.631 73.157 770 1HB LYS 99 2HB LYS 99 58.365 67.140 73.238 771 2HB LYS 99 1HB LYS 99 59.089 66.577 74.759 772 1HG LYS 99 2HG LYS 99 61.204 66.986 74.126 773 2HG LYS 99 1HG LYS 99 61.021 66.703 72.368 774 1HD LYS 99 2HD LYS 99 60.125 68.907 72.050 775 2HD LYS 99 1HD LYS 99 59.761 69.104 73.860 776 1HE LYS 99 2HE LYS 99 62.640 68.498 73.018 777 2HE LYS 99 1HE LYS 99 61.988 70.164 72.670 778 1HZ LYS 99 2HZ LYS 99 61.816 68.778 75.299 779 2HZ LYS 99 1HZ LYS 99 62.956 69.951 74.921 780 3HZ LYS 99 3HZ LYS 99 61.311 70.319 74.962 781 H GLY 100 H GLY 100 59.727 64.263 75.353 782 1HA GLY 100 1HA GLY 100 58.468 63.434 77.296 783 2HA GLY 100 2HA GLY 100 56.937 63.560 76.340 784 H GLU 101 H GLU 101 58.319 61.601 78.011 785 HA GLU 101 HA GLU 101 58.526 59.301 78.250 786 1HB GLU 101 2HB GLU 101 56.247 59.308 77.097 787 2HB GLU 101 1HB GLU 101 57.108 59.273 75.494 788 1HG GLU 101 2HG GLU 101 58.089 57.060 76.073 789 2HG GLU 101 1HG GLU 101 57.225 57.150 77.728 790 H LYS 102 H LYS 102 59.509 57.500 77.458 791 HA LYS 102 HA LYS 102 62.187 57.662 76.756 792 1HB LYS 102 2HB LYS 102 61.348 55.609 77.508 793 2HB LYS 102 1HB LYS 102 60.032 55.536 76.211 794 1HG LYS 102 2HG LYS 102 62.754 55.661 74.975 795 2HG LYS 102 1HG LYS 102 62.586 54.299 76.103 796 1HD LYS 102 2HD LYS 102 60.117 54.687 74.433 797 2HD LYS 102 1HD LYS 102 61.585 54.219 73.527 798 1HE LYS 102 2HE LYS 102 61.851 52.496 75.714 799 2HE LYS 102 1HE LYS 102 60.045 52.745 75.632 800 1HZ LYS 102 2HZ LYS 102 61.599 52.131 73.230 801 2HZ LYS 102 1HZ LYS 102 61.308 50.892 74.308 802 3HZ LYS 102 3HZ LYS 102 60.032 51.662 73.604 803 H GLU 103 H GLU 103 59.578 56.818 74.613 804 HA GLU 103 HA GLU 103 60.982 56.699 72.168 805 1HB GLU 103 2HB GLU 103 58.624 58.108 71.387 806 2HB GLU 103 1HB GLU 103 58.885 56.309 71.409 807 1HG GLU 103 2HG GLU 103 57.874 55.991 73.482 808 2HG GLU 103 1HG GLU 103 57.881 57.840 73.858 809 H ASN 104 H ASN 104 61.351 57.704 70.537 810 HA ASN 104 HA ASN 104 61.595 60.691 70.671 811 1HB ASN 104 2HB ASN 104 63.521 58.436 69.780 812 2HB ASN 104 1HB ASN 104 63.800 60.147 69.250 813 1HD2 ASN 104 2HD2 ASN 104 65.922 59.539 72.185 814 2HD2 ASN 104 1HD2 ASN 104 65.679 59.075 70.386 815 H ARG 105 H ARG 105 59.376 60.009 69.690 816 HA ARG 105 HA ARG 105 59.307 58.726 67.186 817 1HB ARG 105 2HB ARG 105 56.997 60.357 68.444 818 2HB ARG 105 1HB ARG 105 56.985 59.323 67.003 819 1HG ARG 105 2HG ARG 105 58.377 58.178 69.405 820 2HG ARG 105 1HG ARG 105 56.529 58.250 69.446 821 1HD ARG 105 2HD ARG 105 57.613 57.370 66.839 822 2HD ARG 105 1HD ARG 105 57.966 56.206 68.155 823 HE ARG 105 HE ARG 105 55.641 56.062 68.677 824 1HH1 ARG 105 1HH1 ARG 105 56.266 57.945 65.637 825 2HH1 ARG 105 2HH1 ARG 105 54.629 57.754 65.055 826 1HH2 ARG 105 1HH2 ARG 105 53.331 55.878 67.696 827 2HH2 ARG 105 2HH2 ARG 105 53.109 56.648 66.177 828 H GLY 106 H GLY 106 60.999 59.887 66.290 829 1HA GLY 106 1HA GLY 106 60.231 62.563 64.961 830 2HA GLY 106 2HA GLY 106 61.885 61.905 65.236 831 H TRP 107 H TRP 107 59.108 61.741 63.442 832 HA TRP 107 HA TRP 107 59.966 59.865 61.313 833 1HB TRP 107 2HB TRP 107 57.676 59.947 60.560 834 2HB TRP 107 1HB TRP 107 57.596 59.837 62.369 835 HD1 TRP 107 HD1 TRP 107 57.313 62.266 59.294 836 HE1 TRP 107 HE1 TRP 107 56.309 64.486 59.933 837 HE3 TRP 107 HE3 TRP 107 57.218 61.384 64.213 838 HZ2 TRP 107 HZ2 TRP 107 55.641 65.584 62.267 839 HZ3 TRP 107 HZ3 TRP 107 56.308 63.173 65.727 840 HH2 TRP 107 HH2 TRP 107 55.544 65.266 64.665 841 H LYS 108 H LYS 108 60.600 62.741 62.044 842 HA LYS 108 HA LYS 108 60.116 64.695 60.325 843 1HB LYS 108 2HB LYS 108 62.742 65.025 59.908 844 2HB LYS 108 1HB LYS 108 62.225 65.094 61.696 845 1HG LYS 108 2HG LYS 108 62.611 62.541 61.714 846 2HG LYS 108 1HG LYS 108 63.666 62.915 60.244 847 1HD LYS 108 2HD LYS 108 65.149 63.031 62.218 848 2HD LYS 108 1HD LYS 108 64.791 64.733 61.748 849 1HE LYS 108 2HE LYS 108 62.967 64.776 63.493 850 2HE LYS 108 1HE LYS 108 63.279 62.999 63.855 851 1HZ LYS 108 3HZ LYS 108 65.316 65.155 64.324 852 2HZ LYS 108 2HZ LYS 108 64.293 64.376 65.457 853 3HZ LYS 108 1HZ LYS 108 65.419 63.535 64.656 854 H GLN 109 H GLN 109 60.530 65.571 58.499 855 HA GLN 109 HA GLN 109 61.187 63.592 56.223 856 1HB GLN 109 2HB GLN 109 59.540 66.118 56.571 857 2HB GLN 109 1HB GLN 109 60.318 65.910 54.947 858 1HG GLN 109 2HG GLN 109 58.505 64.469 54.519 859 2HG GLN 109 1HG GLN 109 59.257 63.378 55.838 860 1HE2 GLN 109 1HE2 GLN 109 57.265 65.051 58.368 861 2HE2 GLN 109 2HE2 GLN 109 59.001 64.479 57.988 862 H TRP 110 H TRP 110 62.265 64.528 54.271 863 HA TRP 110 HA TRP 110 64.309 66.574 55.163 864 1HB TRP 110 2HB TRP 110 64.814 64.338 53.192 865 2HB TRP 110 1HB TRP 110 65.991 65.345 54.189 866 HD1 TRP 110 HD1 TRP 110 64.734 62.100 54.045 867 HE1 TRP 110 HE1 TRP 110 64.926 60.822 56.352 868 HE3 TRP 110 HE3 TRP 110 65.432 66.100 56.741 869 HZ2 TRP 110 HZ2 TRP 110 65.356 61.718 58.918 870 HZ3 TRP 110 HZ3 TRP 110 65.774 65.976 59.208 871 HH2 TRP 110 HH2 TRP 110 65.725 63.832 60.203 872 H VAL 111 H VAL 111 63.157 64.873 52.334 873 HA VAL 111 HA VAL 111 62.419 65.647 50.231 874 HB VAL 111 HB VAL 111 63.816 68.352 50.858 875 1HG1 VAL 111 3HG1 VAL 111 63.004 67.453 48.510 876 2HG1 VAL 111 2HG1 VAL 111 61.401 67.976 49.112 877 3HG1 VAL 111 1HG1 VAL 111 62.776 69.175 48.928 878 1HG2 VAL 111 1HG2 VAL 111 61.660 67.560 52.514 879 2HG2 VAL 111 3HG2 VAL 111 61.847 69.260 51.826 880 3HG2 VAL 111 2HG2 VAL 111 60.810 67.957 51.006 881 H GLU 112 H GLU 112 63.885 63.951 50.296 882 HA GLU 112 HA GLU 112 66.606 64.619 49.363 883 1HB GLU 112 2HB GLU 112 65.238 62.420 50.893 884 2HB GLU 112 1HB GLU 112 66.689 61.968 49.968 885 1HG GLU 112 2HG GLU 112 66.851 64.538 51.592 886 2HG GLU 112 1HG GLU 112 66.737 62.903 52.512 887 H GLY 113 H GLY 113 67.123 64.491 47.484 888 1HA GLY 113 1HA GLY 113 66.738 64.359 45.120 889 2HA GLY 113 2HA GLY 113 67.525 62.813 45.516 890 H ASP 114 H ASP 114 64.625 64.462 44.868 891 HA ASP 114 HA ASP 114 62.546 63.905 44.031 892 1HB ASP 114 2HB ASP 114 64.245 61.674 42.723 893 2HB ASP 114 1HB ASP 114 62.517 62.111 42.235 894 H LYS 115 H LYS 115 61.793 63.402 45.961 895 HA LYS 115 HA LYS 115 59.838 61.795 46.365 896 1HB LYS 115 2HB LYS 115 60.475 59.582 47.446 897 2HB LYS 115 1HB LYS 115 61.122 59.799 45.771 898 1HG LYS 115 2HG LYS 115 63.298 60.516 46.699 899 2HG LYS 115 1HG LYS 115 62.630 60.253 48.405 900 1HD LYS 115 2HD LYS 115 62.715 57.951 48.172 901 2HD LYS 115 1HD LYS 115 62.217 58.002 46.429 902 1HE LYS 115 2HE LYS 115 64.814 59.293 46.889 903 2HE LYS 115 1HE LYS 115 64.855 57.583 47.454 904 1HZ LYS 115 2HZ LYS 115 63.993 56.956 45.165 905 2HZ LYS 115 1HZ LYS 115 64.242 58.577 44.729 906 3HZ LYS 115 3HZ LYS 115 65.517 57.563 45.139 907 H LEU 116 H LEU 116 59.958 60.700 48.968 908 HA LEU 116 HA LEU 116 61.225 62.999 50.395 909 1HB LEU 116 2HB LEU 116 58.825 63.434 49.446 910 2HB LEU 116 1HB LEU 116 58.239 62.524 50.890 911 HG LEU 116 HG LEU 116 59.794 65.159 50.746 912 1HD1 LEU 116 2HD1 LEU 116 57.271 63.986 52.211 913 2HD1 LEU 116 1HD1 LEU 116 57.880 65.631 52.527 914 3HD1 LEU 116 3HD1 LEU 116 57.263 65.231 50.882 915 1HD2 LEU 116 2HD2 LEU 116 61.101 63.686 52.261 916 2HD2 LEU 116 1HD2 LEU 116 60.253 64.957 53.241 917 3HD2 LEU 116 3HD2 LEU 116 59.581 63.287 53.177 918 H TYR 117 H TYR 117 62.461 61.169 50.947 919 HA TYR 117 HA TYR 117 61.729 58.996 52.512 920 1HB TYR 117 2HB TYR 117 64.142 60.906 52.546 921 2HB TYR 117 1HB TYR 117 63.970 59.573 53.750 922 HD1 TYR 117 HD2 TYR 117 62.398 57.819 51.169 923 HD2 TYR 117 HD1 TYR 117 66.298 59.579 51.881 924 HE1 TYR 117 HE2 TYR 117 63.415 56.310 49.587 925 HE2 TYR 117 HE1 TYR 117 67.242 58.060 50.307 926 HH TYR 117 HH TYR 117 65.349 55.532 48.624 927 H LEU 118 H LEU 118 60.921 58.486 54.215 928 HA LEU 118 HA LEU 118 60.756 60.581 56.435 929 1HB LEU 118 2HB LEU 118 58.849 58.239 55.701 930 2HB LEU 118 1HB LEU 118 58.789 59.113 57.293 931 HG LEU 118 HG LEU 118 58.373 60.674 54.694 932 1HD1 LEU 118 2HD1 LEU 118 56.717 58.656 55.738 933 2HD1 LEU 118 1HD1 LEU 118 56.385 60.023 56.829 934 3HD1 LEU 118 3HD1 LEU 118 56.029 60.233 55.089 935 1HD2 LEU 118 2HD2 LEU 118 59.233 61.767 56.992 936 2HD2 LEU 118 1HD2 LEU 118 57.614 62.382 56.448 937 3HD2 LEU 118 3HD2 LEU 118 57.684 61.136 57.709 938 H GLU 119 H GLU 119 62.077 60.275 58.017 939 HA GLU 119 HA GLU 119 63.001 57.433 58.630 940 1HB GLU 119 2HB GLU 119 64.476 60.066 58.309 941 2HB GLU 119 1HB GLU 119 64.589 59.313 59.952 942 1HG GLU 119 2HG GLU 119 64.930 57.079 58.376 943 2HG GLU 119 1HG GLU 119 65.685 58.424 57.342 944 H LEU 120 H LEU 120 61.704 56.694 60.080 945 HA LEU 120 HA LEU 120 61.144 58.639 62.264 946 1HB LEU 120 2HB LEU 120 59.036 58.195 62.460 947 2HB LEU 120 1HB LEU 120 59.270 57.595 60.756 948 HG LEU 120 HG LEU 120 59.806 55.309 61.759 949 1HD1 LEU 120 2HD1 LEU 120 58.076 56.630 64.006 950 2HD1 LEU 120 1HD1 LEU 120 58.399 54.852 63.903 951 3HD1 LEU 120 3HD1 LEU 120 59.744 56.032 64.288 952 1HD2 LEU 120 3HD2 LEU 120 57.353 56.596 60.932 953 2HD2 LEU 120 2HD2 LEU 120 57.803 54.843 60.792 954 3HD2 LEU 120 1HD2 LEU 120 56.906 55.441 62.237 955 H THR 121 H THR 121 61.982 58.407 64.007 956 HA THR 121 HA THR 121 63.008 55.662 64.850 957 HB THR 121 HB THR 121 63.794 58.570 65.344 958 HG1 THR 121 1HG THR 121 65.812 57.396 65.112 959 1HG2 THR 121 1HG2 THR 121 64.306 56.130 67.289 960 2HG2 THR 121 3HG2 THR 121 65.222 57.726 67.366 961 3HG2 THR 121 2HG2 THR 121 63.413 57.620 67.654 962 H CYS 122 H CYS 122 62.285 54.774 66.906 963 HA CYS 122 HA CYS 122 59.960 56.320 68.019 964 1HB CYS 122 2HB CYS 122 59.457 53.416 68.099 965 2HB CYS 122 1HB CYS 122 58.471 54.608 67.270 966 HG CYS 122 HG CYS 122 61.299 53.354 66.012 967 H GLY 123 H GLY 123 62.538 56.220 68.938 968 1HA GLY 123 1HA GLY 123 62.955 56.305 71.434 969 2HA GLY 123 2HA GLY 123 62.225 54.658 71.472 970 H ASP 124 H ASP 124 63.176 52.940 70.503 971 HA ASP 124 HA ASP 124 66.199 53.023 70.259 972 1HB ASP 124 2HB ASP 124 64.366 51.283 71.814 973 2HB ASP 124 1HB ASP 124 65.329 50.332 70.541 974 H GLN 125 H GLN 125 63.254 52.429 68.603 975 HA GLN 125 HA GLN 125 64.822 50.875 66.553 976 1HB GLN 125 2HB GLN 125 61.804 51.415 66.873 977 2HB GLN 125 1HB GLN 125 62.509 50.700 65.422 978 1HG GLN 125 2HG GLN 125 63.527 49.269 67.840 979 2HG GLN 125 1HG GLN 125 61.710 49.236 67.704 980 1HE2 GLN 125 2HE2 GLN 125 63.816 46.922 65.234 981 2HE2 GLN 125 1HE2 GLN 125 64.426 47.684 66.862 982 H VAL 126 H VAL 126 64.578 51.390 64.516 983 HA VAL 126 HA VAL 126 63.932 54.232 63.775 984 HB VAL 126 HB VAL 126 65.978 54.365 62.367 985 1HG1 VAL 126 3HG1 VAL 126 66.043 54.631 65.096 986 2HG1 VAL 126 2HG1 VAL 126 67.209 53.193 64.844 987 3HG1 VAL 126 1HG1 VAL 126 67.473 54.776 64.010 988 1HG2 VAL 126 3HG2 VAL 126 66.283 51.410 63.207 989 2HG2 VAL 126 2HG2 VAL 126 66.379 52.220 61.552 990 3HG2 VAL 126 1HG2 VAL 126 67.715 52.409 62.721 991 H CYS 127 H CYS 127 62.836 54.488 61.997 992 HA CYS 127 HA CYS 127 62.607 52.081 60.117 993 1HB CYS 127 2HB CYS 127 60.362 54.134 60.302 994 2HB CYS 127 1HB CYS 127 60.336 52.404 59.899 995 HG CYS 127 HG CYS 127 59.158 53.360 62.366 996 H ARG 128 H ARG 128 63.437 52.323 58.281 997 HA ARG 128 HA ARG 128 63.704 55.266 57.370 998 1HB ARG 128 2HB ARG 128 65.621 53.350 57.627 999 2HB ARG 128 1HB ARG 128 65.175 53.167 55.847 1000 1HG ARG 128 2HG ARG 128 65.339 55.829 55.860 1001 2HG ARG 128 1HG ARG 128 66.487 55.507 57.217 1002 1HD ARG 128 2HD ARG 128 67.141 53.513 55.362 1003 2HD ARG 128 1HD ARG 128 66.750 54.974 54.290 1004 HE ARG 128 HE ARG 128 68.838 54.697 56.402 1005 1HH1 ARG 128 2HH1 ARG 128 67.498 56.629 53.757 1006 2HH1 ARG 128 1HH1 ARG 128 68.829 57.740 53.618 1007 1HH2 ARG 128 1HH2 ARG 128 70.661 56.159 56.269 1008 2HH2 ARG 128 2HH2 ARG 128 70.621 57.412 55.087 1009 H GLN 129 H GLN 129 61.847 55.837 56.326 1010 HA GLN 129 HA GLN 129 60.676 53.720 54.691 1011 1HB GLN 129 2HB GLN 129 60.055 56.738 54.772 1012 2HB GLN 129 1HB GLN 129 59.151 55.514 53.786 1013 1HG GLN 129 2HG GLN 129 58.570 54.216 55.726 1014 2HG GLN 129 1HG GLN 129 59.611 55.294 56.832 1015 1HE2 GLN 129 2HE2 GLN 129 56.552 57.000 57.579 1016 2HE2 GLN 129 1HE2 GLN 129 58.000 56.184 58.107 1017 H VAL 130 H VAL 130 60.030 54.035 52.228 1018 HA VAL 130 HA VAL 130 62.395 55.210 50.814 1019 HB VAL 130 HB VAL 130 61.127 52.384 50.293 1020 1HG1 VAL 130 3HG1 VAL 130 63.450 53.986 49.023 1021 2HG1 VAL 130 2HG1 VAL 130 63.256 52.165 48.824 1022 3HG1 VAL 130 1HG1 VAL 130 61.999 53.282 48.213 1023 1HG2 VAL 130 1HG2 VAL 130 63.790 53.154 51.511 1024 2HG2 VAL 130 3HG2 VAL 130 62.510 52.143 52.336 1025 3HG2 VAL 130 2HG2 VAL 130 63.376 51.482 50.902 1026 H PHE 131 H PHE 131 60.910 56.733 50.484 1027 HA PHE 131 HA PHE 131 58.322 56.467 49.264 1028 1HB PHE 131 2HB PHE 131 60.464 58.640 49.699 1029 2HB PHE 131 1HB PHE 131 59.086 59.002 48.575 1030 HD1 PHE 131 HD1 PHE 131 56.793 58.929 49.323 1031 HD2 PHE 131 HD2 PHE 131 60.085 58.271 51.971 1032 HE1 PHE 131 HE1 PHE 131 55.266 59.256 51.281 1033 HE2 PHE 131 HE2 PHE 131 58.529 58.608 53.881 1034 HZ PHE 131 HZ PHE 131 56.112 59.107 53.511 1035 H LYS 132 H LYS 132 57.722 57.888 47.530 1036 HA LYS 132 HA LYS 132 59.325 57.912 45.047 1037 1HB LYS 132 2HB LYS 132 58.534 55.620 45.014 1038 2HB LYS 132 1HB LYS 132 57.013 56.118 45.860 1039 1HG LYS 132 2HG LYS 132 56.718 55.441 43.445 1040 2HG LYS 132 1HG LYS 132 56.088 57.120 43.662 1041 1HD LYS 132 2HD LYS 132 58.260 58.073 42.973 1042 2HD LYS 132 1HD LYS 132 58.843 56.403 42.521 1043 1HE LYS 132 2HE LYS 132 56.299 56.683 41.247 1044 2HE LYS 132 1HE LYS 132 57.050 58.330 41.055 1045 1HZ LYS 132 3HZ LYS 132 59.057 56.508 40.478 1046 2HZ LYS 132 2HZ LYS 132 57.626 55.827 39.873 1047 3HZ LYS 132 1HZ LYS 132 58.155 57.330 39.374 1048 H LYS 133 H LYS 133 58.863 60.135 45.024 1049 HA LYS 133 HA LYS 133 56.320 61.435 45.695 1050 1HB LYS 133 2HB LYS 133 58.632 62.584 45.080 1051 2HB LYS 133 1HB LYS 133 58.209 62.086 43.405 1052 1HG LYS 133 2HG LYS 133 56.067 63.288 43.537 1053 2HG LYS 133 1HG LYS 133 56.368 63.680 45.320 1054 1HD LYS 133 2HD LYS 133 56.808 65.654 43.606 1055 2HD LYS 133 1HD LYS 133 58.111 65.172 44.816 1056 1HE LYS 133 2HE LYS 133 59.349 63.963 43.241 1057 2HE LYS 133 1HE LYS 133 57.875 63.947 42.062 1058 1HZ LYS 133 3HZ LYS 133 58.112 66.290 41.891 1059 2HZ LYS 133 2HZ LYS 133 59.477 66.343 42.824 1060 3HZ LYS 133 1HZ LYS 133 59.526 65.585 41.343 1061 H LYS 134 H LYS 134 54.516 60.659 44.924 1062 HA LYS 134 HA LYS 134 53.643 59.093 43.053 1063 1HB LYS 134 2HB LYS 134 51.718 60.708 42.407 1064 2HB LYS 134 1HB LYS 134 51.928 60.359 44.144 1065 1HG LYS 134 2HG LYS 134 51.941 62.669 44.382 1066 2HG LYS 134 1HG LYS 134 53.553 62.706 43.473 1067 1HD LYS 134 2HD LYS 134 52.358 63.096 41.432 1068 2HD LYS 134 1HD LYS 134 50.734 62.615 42.186 1069 1HE LYS 134 2HE LYS 134 50.711 64.442 43.674 1070 2HE LYS 134 1HE LYS 134 52.432 64.924 43.170 1071 1HZ LYS 134 3HZ LYS 134 50.948 64.879 40.875 1072 2HZ LYS 134 2HZ LYS 134 50.018 65.769 41.898 1073 3HZ LYS 134 1HZ LYS 134 51.615 66.197 41.629 No H/Q in entry = 1073 Start of MODEL 21 1 1H MET 1 3H MET 1 63.899 76.388 46.050 2 2H MET 1 2H MET 1 65.025 76.677 44.824 3 3H MET 1 1H MET 1 63.405 76.476 44.490 4 HA MET 1 HA MET 1 63.730 74.258 44.217 5 1HB MET 1 2HB MET 1 66.313 74.972 44.040 6 2HB MET 1 1HB MET 1 66.401 74.480 45.790 7 1HG MET 1 2HG MET 1 65.834 72.286 45.463 8 2HG MET 1 1HG MET 1 65.018 72.518 43.920 9 1HE MET 1 3HE MET 1 66.646 70.195 44.241 10 2HE MET 1 2HE MET 1 68.038 70.130 43.231 11 3HE MET 1 1HE MET 1 68.260 70.557 44.960 12 H THR 2 H THR 2 65.081 75.395 47.380 13 HA THR 2 HA THR 2 64.098 72.997 48.719 14 HB THR 2 HB THR 2 64.426 75.616 50.272 15 HG1 THR 2 1HG THR 2 66.344 75.959 49.834 16 1HG2 THR 2 3HG2 THR 2 65.240 72.590 50.416 17 2HG2 THR 2 2HG2 THR 2 66.257 73.748 51.329 18 3HG2 THR 2 1HG2 THR 2 64.522 73.609 51.709 19 H LYS 3 H LYS 3 62.390 72.784 50.191 20 HA LYS 3 HA LYS 3 60.115 73.122 50.855 21 1HB LYS 3 2HB LYS 3 61.555 75.560 51.077 22 2HB LYS 3 1HB LYS 3 59.927 76.007 50.430 23 1HG LYS 3 2HG LYS 3 58.843 74.629 52.233 24 2HG LYS 3 1HG LYS 3 60.488 74.044 52.732 25 1HD LYS 3 2HD LYS 3 60.432 77.001 52.666 26 2HD LYS 3 1HD LYS 3 58.982 76.379 53.584 27 1HE LYS 3 2HE LYS 3 60.239 75.281 55.140 28 2HE LYS 3 1HE LYS 3 61.809 75.391 54.169 29 1HZ LYS 3 2HZ LYS 3 60.339 77.812 55.085 30 2HZ LYS 3 1HZ LYS 3 61.342 77.127 56.160 31 3HZ LYS 3 3HZ LYS 3 62.016 77.676 54.780 32 H ASP 4 H ASP 4 57.998 74.243 50.228 33 HA ASP 4 HA ASP 4 56.265 74.029 48.780 34 1HB ASP 4 2HB ASP 4 57.091 76.386 48.130 35 2HB ASP 4 1HB ASP 4 58.137 75.524 46.883 36 H GLN 5 H GLN 5 56.854 71.677 48.720 37 HA GLN 5 HA GLN 5 57.894 70.699 46.065 38 1HB GLN 5 2HB GLN 5 57.529 69.600 48.924 39 2HB GLN 5 1HB GLN 5 57.804 68.552 47.404 40 1HG GLN 5 2HG GLN 5 59.515 70.936 48.170 41 2HG GLN 5 1HG GLN 5 59.875 69.140 48.681 42 1HE2 GLN 5 2HE2 GLN 5 60.839 70.668 45.084 43 2HE2 GLN 5 1HE2 GLN 5 60.325 71.641 46.481 44 H ASN 6 H ASN 6 55.642 69.653 48.338 45 HA ASN 6 HA ASN 6 53.909 68.449 48.194 46 1HB ASN 6 2HB ASN 6 52.417 70.243 46.172 47 2HB ASN 6 1HB ASN 6 51.860 69.719 47.840 48 1HD2 ASN 6 1HD2 ASN 6 52.306 73.015 48.760 49 2HD2 ASN 6 2HD2 ASN 6 51.145 71.601 48.324 50 H GLY 7 H GLY 7 52.749 66.974 47.519 51 1HA GLY 7 1HA GLY 7 52.185 66.336 44.796 52 2HA GLY 7 2HA GLY 7 53.653 65.440 45.361 53 H THR 8 H THR 8 53.040 63.493 45.638 54 HA THR 8 HA THR 8 51.318 62.636 47.676 55 HB THR 8 HB THR 8 49.420 63.338 46.264 56 HG1 THR 8 1HG THR 8 49.242 61.228 47.136 57 1HG2 THR 8 1HG2 THR 8 51.164 63.063 44.155 58 2HG2 THR 8 3HG2 THR 8 50.315 61.474 43.956 59 3HG2 THR 8 2HG2 THR 8 49.380 63.015 43.869 60 H TRP 9 H TRP 9 53.446 62.098 47.592 61 HA TRP 9 HA TRP 9 54.702 60.236 45.904 62 1HB TRP 9 2HB TRP 9 55.552 59.883 48.747 63 2HB TRP 9 1HB TRP 9 56.541 60.145 47.251 64 HD1 TRP 9 HD1 TRP 9 54.156 62.225 49.497 65 HE1 TRP 9 HE1 TRP 9 54.870 64.643 49.823 66 HE3 TRP 9 HE3 TRP 9 58.065 61.851 46.722 67 HZ2 TRP 9 HZ2 TRP 9 56.928 66.093 48.797 68 HZ3 TRP 9 HZ3 TRP 9 59.504 63.843 46.279 69 HH2 TRP 9 HH2 TRP 9 58.930 65.879 47.271 70 H GLU 10 H GLU 10 54.074 58.363 45.239 71 HA GLU 10 HA GLU 10 52.241 56.695 46.382 72 1HB GLU 10 2HB GLU 10 54.720 55.719 44.769 73 2HB GLU 10 1HB GLU 10 53.144 54.838 44.970 74 1HG GLU 10 2HG GLU 10 52.283 57.348 44.086 75 2HG GLU 10 1HG GLU 10 54.019 57.244 43.425 76 H MET 11 H MET 11 55.521 57.090 47.197 77 HA MET 11 HA MET 11 56.819 56.374 49.046 78 1HB MET 11 2HB MET 11 54.503 56.035 50.235 79 2HB MET 11 1HB MET 11 54.557 54.319 49.584 80 1HG MET 11 2HG MET 11 56.522 53.785 50.823 81 2HG MET 11 1HG MET 11 56.818 55.463 51.252 82 1HE MET 11 2HE MET 11 54.342 52.402 51.494 83 2HE MET 11 1HE MET 11 52.968 53.030 52.545 84 3HE MET 11 3HE MET 11 53.284 53.688 50.933 85 H GLU 12 H GLU 12 55.134 53.344 48.033 86 HA GLU 12 HA GLU 12 55.938 51.830 46.429 87 1HB GLU 12 2HB GLU 12 57.892 53.620 45.847 88 2HB GLU 12 1HB GLU 12 58.850 52.431 46.853 89 1HG GLU 12 2HG GLU 12 57.293 50.737 45.358 90 2HG GLU 12 1HG GLU 12 57.495 52.207 44.192 91 H SER 13 H SER 13 57.908 52.668 49.173 92 HA SER 13 HA SER 13 57.512 49.939 50.372 93 1HB SER 13 2HB SER 13 59.985 50.659 49.106 94 2HB SER 13 1HB SER 13 60.218 50.972 50.929 95 HG SER 13 HG SER 13 59.061 48.720 50.800 96 H ASN 14 H ASN 14 57.283 49.926 52.393 97 HA ASN 14 HA ASN 14 57.649 52.529 53.890 98 1HB ASN 14 2HB ASN 14 55.246 51.704 53.376 99 2HB ASN 14 1HB ASN 14 55.535 50.368 54.591 100 1HD2 ASN 14 1HD2 ASN 14 54.467 52.622 56.999 101 2HD2 ASN 14 2HD2 ASN 14 54.300 51.032 56.031 102 H GLU 15 H GLU 15 59.329 52.394 54.763 103 HA GLU 15 HA GLU 15 61.052 51.187 55.967 104 1HB GLU 15 2HB GLU 15 60.655 52.479 58.164 105 2HB GLU 15 1HB GLU 15 60.009 53.451 56.780 106 1HG GLU 15 2HG GLU 15 57.795 52.370 57.034 107 2HG GLU 15 1HG GLU 15 58.334 51.845 58.740 108 H ASN 16 H ASN 16 59.972 50.942 59.019 109 HA ASN 16 HA ASN 16 59.495 47.992 58.836 110 1HB ASN 16 2HB ASN 16 61.532 48.155 60.034 111 2HB ASN 16 1HB ASN 16 61.090 49.884 60.542 112 1HD2 ASN 16 2HD2 ASN 16 60.613 48.722 63.741 113 2HD2 ASN 16 1HD2 ASN 16 61.607 49.746 62.533 114 H PHE 17 H PHE 17 57.815 47.265 59.817 115 HA PHE 17 HA PHE 17 55.991 49.357 61.092 116 1HB PHE 17 2HB PHE 17 54.119 47.630 60.360 117 2HB PHE 17 1HB PHE 17 54.990 48.712 59.167 118 HD1 PHE 17 HD2 PHE 17 56.685 47.907 57.715 119 HD2 PHE 17 HD1 PHE 17 54.499 45.251 60.276 120 HE1 PHE 17 HE2 PHE 17 57.565 45.959 56.339 121 HE2 PHE 17 HE1 PHE 17 55.371 43.324 58.934 122 HZ PHE 17 HZ PHE 17 56.900 43.714 56.969 123 H GLU 18 H GLU 18 57.141 46.009 61.330 124 HA GLU 18 HA GLU 18 55.405 45.390 63.698 125 1HB GLU 18 2HB GLU 18 56.930 43.791 61.901 126 2HB GLU 18 1HB GLU 18 58.076 43.985 63.326 127 1HG GLU 18 2HG GLU 18 56.672 42.979 64.840 128 2HG GLU 18 1HG GLU 18 55.202 42.929 63.599 129 H GLY 19 H GLY 19 58.838 45.922 63.185 130 1HA GLY 19 1HA GLY 19 59.521 45.956 65.942 131 2HA GLY 19 2HA GLY 19 60.485 46.747 64.618 132 H TYR 20 H TYR 20 57.938 48.406 63.948 133 HA TYR 20 HA TYR 20 58.654 50.644 65.734 134 1HB TYR 20 2HB TYR 20 57.904 51.022 63.421 135 2HB TYR 20 1HB TYR 20 56.341 50.137 63.719 136 HD1 TYR 20 HD1 TYR 20 58.087 52.887 65.650 137 HD2 TYR 20 HD2 TYR 20 54.726 51.448 63.398 138 HE1 TYR 20 HE1 TYR 20 56.876 55.050 66.135 139 HE2 TYR 20 HE2 TYR 20 53.493 53.505 63.825 140 HH TYR 20 HH TYR 20 54.372 55.686 66.203 141 H MET 21 H MET 21 55.913 48.410 65.286 142 HA MET 21 HA MET 21 54.389 49.318 67.642 143 1HB MET 21 2HB MET 21 54.459 46.882 65.723 144 2HB MET 21 1HB MET 21 53.354 46.978 67.123 145 1HG MET 21 2HG MET 21 53.592 49.059 64.844 146 2HG MET 21 1HG MET 21 52.427 47.757 64.773 147 1HE MET 21 1HE MET 21 50.451 48.779 64.594 148 2HE MET 21 3HE MET 21 49.547 49.804 65.778 149 3HE MET 21 2HE MET 21 50.684 50.572 64.740 150 H LYS 22 H LYS 22 56.904 47.265 66.881 151 HA LYS 22 HA LYS 22 56.798 45.614 69.322 152 1HB LYS 22 2HB LYS 22 58.067 44.986 66.888 153 2HB LYS 22 1HB LYS 22 59.414 45.764 67.879 154 1HG LYS 22 2HG LYS 22 58.834 44.464 69.778 155 2HG LYS 22 1HG LYS 22 57.535 43.531 68.854 156 1HD LYS 22 2HD LYS 22 60.522 43.213 68.997 157 2HD LYS 22 1HD LYS 22 59.234 42.094 68.322 158 1HE LYS 22 2HE LYS 22 59.306 43.449 66.140 159 2HE LYS 22 1HE LYS 22 60.575 44.528 66.924 160 1HZ LYS 22 3HZ LYS 22 61.813 42.330 67.252 161 2HZ LYS 22 2HZ LYS 22 60.784 41.693 66.151 162 3HZ LYS 22 1HZ LYS 22 61.774 42.998 65.745 163 H ALA 23 H ALA 23 58.166 48.458 68.154 164 HA ALA 23 HA ALA 23 60.329 48.769 70.092 165 1HB ALA 23 3HB ALA 23 59.911 50.284 67.907 166 2HB ALA 23 2HB ALA 23 58.741 51.207 69.022 167 3HB ALA 23 1HB ALA 23 60.453 51.050 69.461 168 H LEU 24 H LEU 24 57.077 49.500 69.906 169 HA LEU 24 HA LEU 24 56.836 50.971 72.458 170 1HB LEU 24 2HB LEU 24 55.053 49.754 70.198 171 2HB LEU 24 1HB LEU 24 54.308 49.846 71.835 172 HG LEU 24 HG LEU 24 53.827 51.769 70.261 173 1HD1 LEU 24 2HD1 LEU 24 54.011 51.823 73.098 174 2HD1 LEU 24 1HD1 LEU 24 55.136 53.136 72.620 175 3HD1 LEU 24 3HD1 LEU 24 53.441 53.168 72.007 176 1HD2 LEU 24 2HD2 LEU 24 56.833 52.227 70.740 177 2HD2 LEU 24 1HD2 LEU 24 55.948 52.231 69.191 178 3HD2 LEU 24 3HD2 LEU 24 55.730 53.591 70.394 179 H ASP 25 H ASP 25 55.688 48.076 70.963 180 HA ASP 25 HA ASP 25 55.540 45.840 71.603 181 1HB ASP 25 2HB ASP 25 57.252 46.845 73.418 182 2HB ASP 25 1HB ASP 25 55.777 46.877 74.474 183 H ILE 26 H ILE 26 53.598 46.614 70.830 184 HA ILE 26 HA ILE 26 51.439 47.102 72.838 185 HB ILE 26 HB ILE 26 51.699 48.665 70.914 186 1HG1 ILE 26 2HG1 ILE 26 49.156 47.077 70.275 187 2HG1 ILE 26 1HG1 ILE 26 49.356 47.969 71.862 188 1HG2 ILE 26 3HG2 ILE 26 51.434 46.037 69.370 189 2HG2 ILE 26 2HG2 ILE 26 50.714 47.518 68.662 190 3HG2 ILE 26 1HG2 ILE 26 52.504 47.473 68.999 191 1HD1 ILE 26 1HD1 ILE 26 50.226 49.453 69.357 192 2HD1 ILE 26 3HD1 ILE 26 48.435 49.128 69.511 193 3HD1 ILE 26 2HD1 ILE 26 49.281 50.096 70.738 194 H ASP 27 H ASP 27 52.662 44.660 72.789 195 HA ASP 27 HA ASP 27 52.189 42.547 72.954 196 1HB ASP 27 2HB ASP 27 49.752 43.591 73.404 197 2HB ASP 27 1HB ASP 27 49.403 42.730 71.776 198 H PHE 28 H PHE 28 51.626 40.446 71.520 199 HA PHE 28 HA PHE 28 52.739 41.149 68.872 200 1HB PHE 28 2HB PHE 28 52.065 38.379 70.176 201 2HB PHE 28 1HB PHE 28 53.199 38.769 68.787 202 HD1 PHE 28 HD1 PHE 28 54.969 40.608 69.362 203 HD2 PHE 28 HD2 PHE 28 52.965 38.167 72.258 204 HE1 PHE 28 HE1 PHE 28 56.886 41.040 71.064 205 HE2 PHE 28 HE2 PHE 28 54.777 38.562 73.884 206 HZ PHE 28 HZ PHE 28 56.752 40.016 73.255 207 H ALA 29 H ALA 29 51.046 42.219 67.976 208 HA ALA 29 HA ALA 29 49.459 40.945 66.041 209 1HB ALA 29 2HB ALA 29 48.343 40.700 68.839 210 2HB ALA 29 1HB ALA 29 47.316 41.778 67.844 211 3HB ALA 29 3HB ALA 29 47.616 40.063 67.273 212 H THR 30 H THR 30 48.106 42.138 65.055 213 HA THR 30 HA THR 30 47.045 44.110 64.463 214 HB THR 30 HB THR 30 47.662 44.946 66.947 215 HG1 THR 30 1HG THR 30 45.991 45.448 65.531 216 1HG2 THR 30 1HG2 THR 30 49.938 45.919 65.805 217 2HG2 THR 30 3HG2 THR 30 48.729 47.158 65.157 218 3HG2 THR 30 2HG2 THR 30 48.990 46.914 66.975 219 H ARG 31 H ARG 31 50.255 43.363 64.466 220 HA ARG 31 HA ARG 31 51.022 44.933 62.002 221 1HB ARG 31 2HB ARG 31 53.327 43.734 63.048 222 2HB ARG 31 1HB ARG 31 52.909 45.456 63.043 223 1HG ARG 31 2HG ARG 31 53.363 44.986 65.411 224 2HG ARG 31 1HG ARG 31 51.574 44.657 65.368 225 1HD ARG 31 2HD ARG 31 52.018 42.370 65.709 226 2HD ARG 31 1HD ARG 31 53.372 42.368 64.541 227 HE ARG 31 HE ARG 31 53.883 43.811 66.986 228 1HH1 ARG 31 2HH1 ARG 31 54.140 40.716 65.154 229 2HH1 ARG 31 1HH1 ARG 31 55.496 40.106 66.136 230 1HH2 ARG 31 2HH2 ARG 31 55.750 42.860 68.249 231 2HH2 ARG 31 1HH2 ARG 31 56.355 41.274 67.844 232 H LYS 32 H LYS 32 52.415 43.686 60.512 233 HA LYS 32 HA LYS 32 53.067 41.765 59.404 234 1HB LYS 32 2HB LYS 32 53.045 40.685 61.770 235 2HB LYS 32 1HB LYS 32 51.402 40.103 61.259 236 1HG LYS 32 2HG LYS 32 52.293 38.374 60.186 237 2HG LYS 32 1HG LYS 32 53.112 39.524 59.058 238 1HD LYS 32 2HD LYS 32 55.199 39.561 60.255 239 2HD LYS 32 1HD LYS 32 54.336 39.262 61.786 240 1HE LYS 32 2HE LYS 32 55.261 37.041 61.414 241 2HE LYS 32 1HE LYS 32 53.644 36.915 60.553 242 1HZ LYS 32 1HZ LYS 32 56.120 37.725 59.170 243 2HZ LYS 32 3HZ LYS 32 55.511 36.216 59.230 244 3HZ LYS 32 2HZ LYS 32 54.603 37.394 58.501 245 H ILE 33 H ILE 33 50.228 43.190 59.845 246 HA ILE 33 HA ILE 33 49.064 41.554 57.575 247 HB ILE 33 HB ILE 33 47.398 42.943 59.811 248 1HG1 ILE 33 2HG1 ILE 33 46.571 40.298 59.857 249 2HG1 ILE 33 1HG1 ILE 33 48.363 40.179 59.477 250 1HG2 ILE 33 3HG2 ILE 33 46.524 41.333 57.274 251 2HG2 ILE 33 2HG2 ILE 33 45.453 41.694 58.683 252 3HG2 ILE 33 1HG2 ILE 33 46.155 43.045 57.759 253 1HD1 ILE 33 1HD1 ILE 33 48.714 41.941 61.374 254 2HD1 ILE 33 3HD1 ILE 33 46.989 41.723 61.755 255 3HD1 ILE 33 2HD1 ILE 33 48.181 40.309 61.936 256 H ALA 34 H ALA 34 49.334 44.834 59.115 257 HA ALA 34 HA ALA 34 48.025 45.928 56.653 258 1HB ALA 34 1HB ALA 34 47.427 46.825 59.075 259 2HB ALA 34 3HB ALA 34 49.081 47.583 59.006 260 3HB ALA 34 2HB ALA 34 47.897 48.006 57.752 261 H VAL 35 H VAL 35 50.777 44.705 57.153 262 HA VAL 35 HA VAL 35 53.067 46.062 57.098 263 HB VAL 35 HB VAL 35 51.926 44.226 54.886 264 1HG1 VAL 35 2HG1 VAL 35 54.789 45.453 55.077 265 2HG1 VAL 35 1HG1 VAL 35 54.428 43.940 54.178 266 3HG1 VAL 35 3HG1 VAL 35 53.637 45.468 53.697 267 1HG2 VAL 35 2HG2 VAL 35 52.251 43.263 57.094 268 2HG2 VAL 35 1HG2 VAL 35 53.346 42.462 55.885 269 3HG2 VAL 35 3HG2 VAL 35 54.032 43.681 57.051 270 H ARG 36 H ARG 36 50.925 45.865 54.485 271 HA ARG 36 HA ARG 36 50.682 48.460 53.490 272 1HB ARG 36 2HB ARG 36 53.406 47.915 53.079 273 2HB ARG 36 1HB ARG 36 52.602 47.264 51.571 274 1HG ARG 36 2HG ARG 36 52.110 50.100 52.626 275 2HG ARG 36 1HG ARG 36 53.455 49.621 51.444 276 1HD ARG 36 2HD ARG 36 51.689 48.430 50.085 277 2HD ARG 36 1HD ARG 36 50.434 49.212 51.114 278 HE ARG 36 HE ARG 36 50.978 51.343 50.254 279 1HH1 ARG 36 2HH1 ARG 36 53.344 48.966 49.012 280 2HH1 ARG 36 1HH1 ARG 36 54.004 50.147 47.834 281 1HH2 ARG 36 1HH2 ARG 36 51.908 52.773 48.676 282 2HH2 ARG 36 2HH2 ARG 36 53.252 52.206 47.642 283 H LEU 37 H LEU 37 49.008 48.263 52.565 284 HA LEU 37 HA LEU 37 48.520 45.719 51.094 285 1HB LEU 37 2HB LEU 37 46.146 46.691 50.653 286 2HB LEU 37 1HB LEU 37 46.533 46.226 52.357 287 HG LEU 37 HG LEU 37 47.240 48.744 52.655 288 1HD1 LEU 37 2HD1 LEU 37 46.390 48.790 49.845 289 2HD1 LEU 37 1HD1 LEU 37 45.207 49.731 50.781 290 3HD1 LEU 37 3HD1 LEU 37 46.982 50.172 50.889 291 1HD2 LEU 37 2HD2 LEU 37 45.073 47.223 53.177 292 2HD2 LEU 37 1HD2 LEU 37 45.088 48.971 53.567 293 3HD2 LEU 37 3HD2 LEU 37 44.296 48.441 52.024 294 H THR 38 H THR 38 48.630 49.138 50.554 295 HA THR 38 HA THR 38 50.034 49.576 48.402 296 HB THR 38 HB THR 38 47.442 48.204 47.742 297 HG1 THR 38 1HG THR 38 49.162 47.829 45.863 298 1HG2 THR 38 2HG2 THR 38 48.740 50.371 45.943 299 2HG2 THR 38 1HG2 THR 38 47.788 48.987 45.271 300 3HG2 THR 38 3HG2 THR 38 46.982 50.141 46.400 301 H GLN 39 H GLN 39 50.150 51.897 48.513 302 HA GLN 39 HA GLN 39 47.632 53.090 47.801 303 1HB GLN 39 2HB GLN 39 47.060 52.664 50.069 304 2HB GLN 39 1HB GLN 39 48.589 53.356 50.714 305 1HG GLN 39 2HG GLN 39 47.539 55.277 50.945 306 2HG GLN 39 1HG GLN 39 47.644 55.516 49.150 307 1HE2 GLN 39 2HE2 GLN 39 44.392 56.308 49.052 308 2HE2 GLN 39 1HE2 GLN 39 46.080 56.779 49.120 309 H THR 40 H THR 40 49.660 54.816 49.995 310 HA THR 40 HA THR 40 51.553 56.183 48.528 311 HB THR 40 HB THR 40 48.674 57.127 48.116 312 HG1 THR 40 1HG THR 40 49.790 57.627 45.947 313 1HG2 THR 40 1HG2 THR 40 51.253 58.796 48.140 314 2HG2 THR 40 3HG2 THR 40 49.842 59.312 47.153 315 3HG2 THR 40 2HG2 THR 40 49.694 59.159 48.978 316 H LYS 41 H LYS 41 52.324 57.969 49.558 317 HA LYS 41 HA LYS 41 50.737 58.642 52.155 318 1HB LYS 41 2HB LYS 41 53.016 57.821 52.759 319 2HB LYS 41 1HB LYS 41 53.771 58.706 51.353 320 1HG LYS 41 2HG LYS 41 52.290 60.281 53.533 321 2HG LYS 41 1HG LYS 41 53.978 59.695 53.827 322 1HD LYS 41 2HD LYS 41 54.150 60.649 51.259 323 2HD LYS 41 1HD LYS 41 52.853 61.752 51.898 324 1HE LYS 41 2HE LYS 41 54.504 61.873 54.018 325 2HE LYS 41 1HE LYS 41 55.783 61.567 52.745 326 1HZ LYS 41 2HZ LYS 41 53.639 63.651 52.647 327 2HZ LYS 41 1HZ LYS 41 55.274 63.929 53.047 328 3HZ LYS 41 3HZ LYS 41 54.810 63.398 51.514 329 H ILE 42 H ILE 42 49.912 60.702 52.192 330 HA ILE 42 HA ILE 42 50.961 62.421 49.844 331 HB ILE 42 HB ILE 42 48.214 62.630 51.380 332 1HG1 ILE 42 2HG1 ILE 42 47.738 62.128 48.785 333 2HG1 ILE 42 1HG1 ILE 42 49.191 61.051 49.092 334 1HG2 ILE 42 1HG2 ILE 42 49.339 64.175 48.981 335 2HG2 ILE 42 3HG2 ILE 42 47.620 64.087 49.368 336 3HG2 ILE 42 2HG2 ILE 42 48.775 64.804 50.585 337 1HD1 ILE 42 2HD1 ILE 42 47.638 60.771 51.460 338 2HD1 ILE 42 1HD1 ILE 42 46.366 60.922 50.185 339 3HD1 ILE 42 3HD1 ILE 42 47.564 59.568 50.126 340 H ILE 43 H ILE 43 50.893 64.704 50.034 341 HA ILE 43 HA ILE 43 51.488 65.750 52.814 342 HB ILE 43 HB ILE 43 53.419 64.805 51.146 343 1HG1 ILE 43 2HG1 ILE 43 53.349 67.203 53.068 344 2HG1 ILE 43 1HG1 ILE 43 54.134 65.519 53.198 345 1HG2 ILE 43 3HG2 ILE 43 52.704 66.412 49.355 346 2HG2 ILE 43 2HG2 ILE 43 53.314 67.820 50.375 347 3HG2 ILE 43 1HG2 ILE 43 54.473 66.552 49.819 348 1HD1 ILE 43 2HD1 ILE 43 55.689 66.216 51.366 349 2HD1 ILE 43 1HD1 ILE 43 54.995 67.933 51.560 350 3HD1 ILE 43 3HD1 ILE 43 55.993 67.131 52.840 351 H VAL 44 H VAL 44 50.891 67.865 53.023 352 HA VAL 44 HA VAL 44 49.610 69.001 50.430 353 HB VAL 44 HB VAL 44 48.854 69.146 53.374 354 1HG1 VAL 44 1HG1 VAL 44 48.104 71.052 51.056 355 2HG1 VAL 44 3HG1 VAL 44 47.126 70.923 52.557 356 3HG1 VAL 44 2HG1 VAL 44 48.846 71.485 52.667 357 1HG2 VAL 44 1HG2 VAL 44 47.659 67.370 51.948 358 2HG2 VAL 44 3HG2 VAL 44 46.541 68.656 52.509 359 3HG2 VAL 44 2HG2 VAL 44 47.145 68.696 50.829 360 H GLN 45 H GLN 45 50.693 70.301 53.680 361 HA GLN 45 HA GLN 45 51.901 72.156 54.126 362 1HB GLN 45 2HB GLN 45 53.488 70.557 52.705 363 2HB GLN 45 1HB GLN 45 53.374 71.814 51.412 364 1HG GLN 45 2HG GLN 45 53.640 73.303 53.837 365 2HG GLN 45 1HG GLN 45 54.772 71.811 54.024 366 1HE2 GLN 45 1HE2 GLN 45 56.544 74.634 52.408 367 2HE2 GLN 45 2HE2 GLN 45 55.565 74.333 54.017 368 H ASP 46 H ASP 46 50.662 73.740 54.238 369 HA ASP 46 HA ASP 46 50.406 75.376 51.718 370 1HB ASP 46 2HB ASP 46 48.346 74.206 52.800 371 2HB ASP 46 1HB ASP 46 48.464 75.470 54.104 372 H GLY 47 H GLY 47 52.453 75.574 53.848 373 1HA GLY 47 1HA GLY 47 53.608 77.788 54.200 374 2HA GLY 47 2HA GLY 47 51.968 78.413 54.762 375 H ASP 48 H ASP 48 51.088 77.376 56.522 376 HA ASP 48 HA ASP 48 53.208 76.689 58.554 377 1HB ASP 48 2HB ASP 48 50.440 77.551 59.518 378 2HB ASP 48 1HB ASP 48 52.171 78.196 59.993 379 H ASN 49 H ASN 49 50.002 75.983 57.431 380 HA ASN 49 HA ASN 49 49.405 73.701 59.216 381 1HB ASN 49 2HB ASN 49 48.106 75.123 56.809 382 2HB ASN 49 1HB ASN 49 47.486 73.488 57.412 383 1HD2 ASN 49 2HD2 ASN 49 45.950 74.877 60.224 384 2HD2 ASN 49 1HD2 ASN 49 46.512 73.393 59.176 385 H PHE 50 H PHE 50 51.162 72.448 58.792 386 HA PHE 50 HA PHE 50 51.536 71.154 56.150 387 1HB PHE 50 2HB PHE 50 53.552 71.768 57.436 388 2HB PHE 50 1HB PHE 50 53.016 70.677 58.795 389 HD1 PHE 50 HD2 PHE 50 53.440 70.853 55.128 390 HD2 PHE 50 HD1 PHE 50 53.637 68.406 58.685 391 HE1 PHE 50 HE2 PHE 50 54.314 68.918 53.757 392 HE2 PHE 50 HE1 PHE 50 54.534 66.456 57.271 393 HZ PHE 50 HZ PHE 50 54.810 66.840 54.900 394 H LYS 51 H LYS 51 49.448 70.200 55.975 395 HA LYS 51 HA LYS 51 49.109 68.088 58.006 396 1HB LYS 51 2HB LYS 51 47.251 68.680 55.661 397 2HB LYS 51 1HB LYS 51 46.849 67.778 57.168 398 1HG LYS 51 2HG LYS 51 46.728 69.935 58.423 399 2HG LYS 51 1HG LYS 51 47.822 70.749 57.265 400 1HD LYS 51 2HD LYS 51 46.130 70.445 55.503 401 2HD LYS 51 1HD LYS 51 45.003 69.647 56.730 402 1HE LYS 51 2HE LYS 51 45.883 72.097 57.865 403 2HE LYS 51 1HE LYS 51 45.604 72.501 56.097 404 1HZ LYS 51 2HZ LYS 51 43.541 70.890 57.477 405 2HZ LYS 51 1HZ LYS 51 43.732 72.419 58.072 406 3HZ LYS 51 3HZ LYS 51 43.334 72.249 56.466 407 H THR 52 H THR 52 50.948 66.869 57.299 408 HA THR 52 HA THR 52 50.742 65.591 54.663 409 HB THR 52 HB THR 52 52.453 65.309 57.193 410 HG1 THR 52 1HG THR 52 52.578 65.142 54.442 411 1HG2 THR 52 3HG2 THR 52 51.451 62.833 56.810 412 2HG2 THR 52 2HG2 THR 52 52.331 62.894 55.238 413 3HG2 THR 52 1HG2 THR 52 53.279 63.032 56.755 414 H LYS 53 H LYS 53 50.581 63.178 54.439 415 HA LYS 53 HA LYS 53 48.451 62.113 56.257 416 1HB LYS 53 2HB LYS 53 47.627 63.911 54.283 417 2HB LYS 53 1HB LYS 53 47.853 62.494 53.221 418 1HG LYS 53 2HG LYS 53 45.921 61.467 54.233 419 2HG LYS 53 1HG LYS 53 46.190 62.384 55.797 420 1HD LYS 53 2HD LYS 53 44.335 63.410 54.695 421 2HD LYS 53 1HD LYS 53 45.820 64.499 54.665 422 1HE LYS 53 2HE LYS 53 46.309 63.915 52.307 423 2HE LYS 53 1HE LYS 53 44.953 62.694 52.230 424 1HZ LYS 53 3HZ LYS 53 44.387 65.525 52.867 425 2HZ LYS 53 2HZ LYS 53 44.695 65.104 51.281 426 3HZ LYS 53 1HZ LYS 53 43.484 64.341 52.112 427 H THR 54 H THR 54 47.577 60.269 55.608 428 HA THR 54 HA THR 54 48.931 58.629 53.604 429 HB THR 54 HB THR 54 49.090 58.196 56.564 430 HG1 THR 54 1HG THR 54 50.790 58.655 54.941 431 1HG2 THR 54 1HG2 THR 54 47.681 56.178 55.622 432 2HG2 THR 54 3HG2 THR 54 49.172 55.683 54.739 433 3HG2 THR 54 2HG2 THR 54 49.192 55.782 56.536 434 H ASN 55 H ASN 55 47.449 58.276 52.365 435 HA ASN 55 HA ASN 55 44.620 58.010 53.284 436 1HB ASN 55 2HB ASN 55 45.992 58.334 50.684 437 2HB ASN 55 1HB ASN 55 44.230 57.602 50.721 438 1HD2 ASN 55 2HD2 ASN 55 43.630 61.172 50.547 439 2HD2 ASN 55 1HD2 ASN 55 44.093 59.657 49.485 440 H SER 56 H SER 56 47.080 55.937 52.655 441 HA SER 56 HA SER 56 46.247 53.435 51.726 442 1HB SER 56 2HB SER 56 48.444 53.986 53.337 443 2HB SER 56 1HB SER 56 47.235 53.181 54.519 444 HG SER 56 HG SER 56 47.123 51.851 52.288 445 H THR 57 H THR 57 44.507 52.453 51.755 446 HA THR 57 HA THR 57 42.352 53.012 53.552 447 HB THR 57 HB THR 57 42.554 51.766 51.222 448 HG1 THR 57 1HG THR 57 40.475 51.420 53.074 449 1HG2 THR 57 3HG2 THR 57 43.079 49.529 53.119 450 2HG2 THR 57 2HG2 THR 57 41.378 49.370 52.625 451 3HG2 THR 57 1HG2 THR 57 42.652 49.432 51.352 452 H PHE 58 H PHE 58 45.167 51.102 53.804 453 HA PHE 58 HA PHE 58 44.263 49.439 55.980 454 1HB PHE 58 2HB PHE 58 47.107 50.246 55.088 455 2HB PHE 58 1HB PHE 58 46.826 49.710 56.806 456 HD1 PHE 58 HD2 PHE 58 44.566 47.498 56.073 457 HD2 PHE 58 HD1 PHE 58 48.517 48.416 54.545 458 HE1 PHE 58 HE2 PHE 58 44.894 45.217 55.370 459 HE2 PHE 58 HE1 PHE 58 48.767 46.053 53.862 460 HZ PHE 58 HZ PHE 58 46.943 44.461 54.285 461 H ARG 59 H ARG 59 46.774 51.893 56.396 462 HA ARG 59 HA ARG 59 45.220 52.778 58.941 463 1HB ARG 59 2HB ARG 59 47.813 51.633 58.768 464 2HB ARG 59 1HB ARG 59 48.085 53.385 59.149 465 1HG ARG 59 2HG ARG 59 45.888 52.811 60.786 466 2HG ARG 59 1HG ARG 59 46.883 51.249 60.773 467 1HD ARG 59 2HD ARG 59 48.876 52.616 61.395 468 2HD ARG 59 1HD ARG 59 47.824 54.099 61.465 469 HE ARG 59 HE ARG 59 46.449 52.514 63.081 470 1HH1 ARG 59 2HH2 ARG 59 49.976 53.252 62.827 471 2HH1 ARG 59 1HH2 ARG 59 50.270 53.086 64.553 472 1HH2 ARG 59 1HH1 ARG 59 47.027 52.309 65.529 473 2HH2 ARG 59 2HH1 ARG 59 48.669 52.574 65.975 474 H ASN 60 H ASN 60 44.370 54.528 58.522 475 HA ASN 60 HA ASN 60 46.154 56.705 57.320 476 1HB ASN 60 2HB ASN 60 43.623 57.746 57.096 477 2HB ASN 60 1HB ASN 60 44.303 56.664 55.723 478 1HD2 ASN 60 1HD2 ASN 60 41.509 54.825 55.763 479 2HD2 ASN 60 2HD2 ASN 60 42.659 55.830 54.937 480 H TYR 61 H TYR 61 47.042 56.990 59.175 481 HA TYR 61 HA TYR 61 45.446 57.944 61.488 482 1HB TYR 61 2HB TYR 61 47.998 56.741 61.141 483 2HB TYR 61 1HB TYR 61 48.392 58.481 61.448 484 HD1 TYR 61 HD2 TYR 61 46.130 55.688 62.719 485 HD2 TYR 61 HD1 TYR 61 48.639 59.047 63.723 486 HE1 TYR 61 HE2 TYR 61 45.813 55.273 65.157 487 HE2 TYR 61 HE1 TYR 61 48.327 58.640 66.069 488 HH TYR 61 HH TYR 61 45.914 56.609 67.232 489 H ASP 62 H ASP 62 47.224 59.157 58.819 490 HA ASP 62 HA ASP 62 47.577 61.262 57.938 491 1HB ASP 62 2HB ASP 62 45.329 61.685 57.721 492 2HB ASP 62 1HB ASP 62 45.081 61.529 59.590 493 H LEU 63 H LEU 63 48.371 63.330 58.121 494 HA LEU 63 HA LEU 63 49.471 63.872 60.877 495 1HB LEU 63 2HB LEU 63 51.044 63.036 58.791 496 2HB LEU 63 1HB LEU 63 50.888 64.786 58.315 497 HG LEU 63 HG LEU 63 51.873 65.510 60.459 498 1HD1 LEU 63 2HD1 LEU 63 51.138 62.745 61.172 499 2HD1 LEU 63 1HD1 LEU 63 52.715 63.253 61.885 500 3HD1 LEU 63 3HD1 LEU 63 51.230 64.226 62.253 501 1HD2 LEU 63 2HD2 LEU 63 53.088 63.514 58.629 502 2HD2 LEU 63 1HD2 LEU 63 53.872 64.965 59.301 503 3HD2 LEU 63 3HD2 LEU 63 53.828 63.379 60.291 504 H ASP 64 H ASP 64 47.060 64.909 60.212 505 HA ASP 64 HA ASP 64 47.584 67.606 59.156 506 1HB ASP 64 2HB ASP 64 45.556 66.289 58.635 507 2HB ASP 64 1HB ASP 64 45.147 66.091 60.447 508 H PHE 65 H PHE 65 48.835 68.741 60.253 509 HA PHE 65 HA PHE 65 47.963 69.814 62.849 510 1HB PHE 65 2HB PHE 65 49.700 68.777 64.123 511 2HB PHE 65 1HB PHE 65 49.884 67.736 62.676 512 HD1 PHE 65 HD2 PHE 65 51.301 68.597 60.768 513 HD2 PHE 65 HD1 PHE 65 51.297 70.359 64.743 514 HE1 PHE 65 HE2 PHE 65 53.478 69.651 60.323 515 HE2 PHE 65 HE1 PHE 65 53.439 71.395 64.290 516 HZ PHE 65 HZ PHE 65 54.590 71.084 62.096 517 H THR 66 H THR 66 49.635 71.576 63.384 518 HA THR 66 HA THR 66 50.575 73.046 60.885 519 HB THR 66 HB THR 66 48.719 73.762 63.181 520 HG1 THR 66 1HG THR 66 47.490 74.177 61.667 521 1HG2 THR 66 1HG2 THR 66 50.957 75.579 62.085 522 2HG2 THR 66 3HG2 THR 66 49.368 76.103 61.456 523 3HG2 THR 66 2HG2 THR 66 49.611 76.023 63.249 524 H VAL 67 H VAL 67 52.599 73.870 61.055 525 HA VAL 67 HA VAL 67 54.358 73.075 63.129 526 HB VAL 67 HB VAL 67 55.286 74.001 61.183 527 1HG1 VAL 67 1HG1 VAL 67 53.123 75.884 61.525 528 2HG1 VAL 67 3HG1 VAL 67 54.714 76.809 61.333 529 3HG1 VAL 67 2HG1 VAL 67 54.129 75.604 60.053 530 1HG2 VAL 67 1HG2 VAL 67 56.274 74.746 63.525 531 2HG2 VAL 67 3HG2 VAL 67 56.849 75.568 62.047 532 3HG2 VAL 67 2HG2 VAL 67 55.614 76.402 63.094 533 H GLY 68 H GLY 68 55.193 73.771 64.878 534 1HA GLY 68 1HA GLY 68 55.306 74.944 66.891 535 2HA GLY 68 2HA GLY 68 54.537 76.363 65.998 536 H VAL 69 H VAL 69 52.693 73.457 66.023 537 HA VAL 69 HA VAL 69 50.657 74.816 67.745 538 HB VAL 69 HB VAL 69 51.096 72.303 66.080 539 1HG1 VAL 69 2HG1 VAL 69 49.023 72.363 68.300 540 2HG1 VAL 69 1HG1 VAL 69 48.812 71.423 66.807 541 3HG1 VAL 69 3HG1 VAL 69 50.284 71.109 67.841 542 1HG2 VAL 69 3HG2 VAL 69 49.872 74.511 65.237 543 2HG2 VAL 69 2HG2 VAL 69 49.102 72.880 64.896 544 3HG2 VAL 69 1HG2 VAL 69 48.462 73.942 66.216 545 H GLU 70 H GLU 70 53.184 72.346 67.857 546 HA GLU 70 HA GLU 70 53.827 71.059 69.653 547 1HB GLU 70 2HB GLU 70 53.179 73.336 71.017 548 2HB GLU 70 1HB GLU 70 51.806 72.220 71.589 549 1HG GLU 70 2HG GLU 70 54.021 70.622 71.957 550 2HG GLU 70 1HG GLU 70 54.554 72.370 72.450 551 H PHE 71 H PHE 71 53.054 69.777 68.366 552 HA PHE 71 HA PHE 71 50.398 68.645 68.380 553 1HB PHE 71 2HB PHE 71 52.253 68.155 66.624 554 2HB PHE 71 1HB PHE 71 52.777 66.859 67.780 555 HD1 PHE 71 HD1 PHE 71 49.352 66.825 68.365 556 HD2 PHE 71 HD2 PHE 71 52.102 66.014 65.232 557 HE1 PHE 71 HE1 PHE 71 47.756 65.334 67.421 558 HE2 PHE 71 HE2 PHE 71 50.489 64.451 64.180 559 HZ PHE 71 HZ PHE 71 48.269 64.074 65.262 560 H ASP 72 H ASP 72 49.578 68.294 70.258 561 HA ASP 72 HA ASP 72 50.968 66.610 72.255 562 1HB ASP 72 2HB ASP 72 48.108 66.528 72.804 563 2HB ASP 72 1HB ASP 72 49.401 67.579 73.664 564 H GLU 73 H GLU 73 51.511 64.793 71.527 565 HA GLU 73 HA GLU 73 49.594 62.981 70.087 566 1HB GLU 73 2HB GLU 73 52.488 63.187 70.833 567 2HB GLU 73 1HB GLU 73 51.927 61.508 70.785 568 1HG GLU 73 2HG GLU 73 50.735 62.777 68.446 569 2HG GLU 73 1HG GLU 73 52.500 63.361 68.550 570 H HIS 74 H HIS 74 48.040 62.201 71.145 571 HA HIS 74 HA HIS 74 48.416 61.459 74.017 572 1HB HIS 74 2HB HIS 74 46.132 61.643 72.072 573 2HB HIS 74 1HB HIS 74 46.080 60.207 73.218 574 HD1 HIS 74 HD1 HIS 74 47.795 63.473 74.121 575 HD2 HIS 74 HD2 HIS 74 44.227 61.353 74.943 576 HE1 HIS 74 HE1 HIS 74 46.685 64.664 76.140 577 HE2 HIS 74 HE2 HIS 74 44.533 63.332 76.593 578 H THR 75 H THR 75 48.755 60.003 70.976 579 HA THR 75 HA THR 75 49.383 57.848 70.332 580 HB THR 75 HB THR 75 50.408 57.790 73.223 581 HG1 THR 75 1HG THR 75 51.415 59.027 70.977 582 1HG2 THR 75 1HG2 THR 75 50.721 56.054 70.799 583 2HG2 THR 75 3HG2 THR 75 52.335 56.881 71.056 584 3HG2 THR 75 2HG2 THR 75 51.616 55.818 72.329 585 H LYS 76 H LYS 76 46.905 57.450 70.854 586 HA LYS 76 HA LYS 76 46.700 55.303 73.022 587 1HB LYS 76 2HB LYS 76 44.158 55.953 71.637 588 2HB LYS 76 1HB LYS 76 44.582 55.976 73.401 589 1HG LYS 76 2HG LYS 76 45.758 58.209 73.066 590 2HG LYS 76 1HG LYS 76 45.138 58.150 71.348 591 1HD LYS 76 2HD LYS 76 43.080 57.577 73.316 592 2HD LYS 76 1HD LYS 76 43.765 59.285 73.493 593 1HE LYS 76 2HE LYS 76 43.060 59.781 71.175 594 2HE LYS 76 1HE LYS 76 42.985 57.982 70.809 595 1HZ LYS 76 1HZ LYS 76 41.180 59.071 72.852 596 2HZ LYS 76 3HZ LYS 76 40.789 59.409 71.300 597 3HZ LYS 76 2HZ LYS 76 40.943 57.810 71.765 598 H GLY 77 H GLY 77 46.362 55.895 69.720 599 1HA GLY 77 1HA GLY 77 45.217 53.400 68.922 600 2HA GLY 77 2HA GLY 77 46.059 54.522 67.805 601 H LEU 78 H LEU 78 48.335 54.471 69.746 602 HA LEU 78 HA LEU 78 49.695 52.024 68.551 603 1HB LEU 78 2HB LEU 78 50.407 54.423 68.008 604 2HB LEU 78 1HB LEU 78 51.164 54.459 69.692 605 HG LEU 78 HG LEU 78 52.197 52.146 68.751 606 1HD1 LEU 78 2HD1 LEU 78 50.824 52.357 66.636 607 2HD1 LEU 78 1HD1 LEU 78 51.881 53.762 66.143 608 3HD1 LEU 78 3HD1 LEU 78 52.594 52.105 66.346 609 1HD2 LEU 78 2HD2 LEU 78 53.129 55.047 68.104 610 2HD2 LEU 78 1HD2 LEU 78 53.645 53.913 69.407 611 3HD2 LEU 78 3HD2 LEU 78 54.109 53.595 67.658 612 H ASP 79 H ASP 79 48.659 53.422 71.549 613 HA ASP 79 HA ASP 79 49.854 51.193 72.898 614 1HB ASP 79 2HB ASP 79 51.986 52.180 72.838 615 2HB ASP 79 1HB ASP 79 51.288 53.900 72.973 616 H GLY 80 H GLY 80 49.692 54.602 73.808 617 1HA GLY 80 1HA GLY 80 47.702 55.641 74.748 618 2HA GLY 80 2HA GLY 80 47.518 54.176 75.820 619 H ARG 81 H ARG 81 49.483 56.793 74.666 620 HA ARG 81 HA ARG 81 50.711 57.029 77.426 621 1HB ARG 81 2HB ARG 81 52.335 56.324 75.487 622 2HB ARG 81 1HB ARG 81 52.143 58.010 74.803 623 1HG ARG 81 2HG ARG 81 54.153 57.438 76.338 624 2HG ARG 81 1HG ARG 81 53.303 58.956 76.666 625 1HD ARG 81 2HD ARG 81 52.102 58.041 78.559 626 2HD ARG 81 1HD ARG 81 52.660 56.345 78.238 627 HE ARG 81 HE ARG 81 54.925 58.123 78.559 628 1HH1 ARG 81 2HH2 ARG 81 52.349 56.284 80.248 629 2HH1 ARG 81 1HH2 ARG 81 53.285 56.084 81.732 630 1HH2 ARG 81 2HH1 ARG 81 56.113 57.812 80.531 631 2HH2 ARG 81 1HH1 ARG 81 55.392 56.942 81.912 632 H ASN 82 H ASN 82 51.832 59.770 75.803 633 HA ASN 82 HA ASN 82 49.787 61.507 75.474 634 1HB ASN 82 2HB ASN 82 49.857 62.615 77.947 635 2HB ASN 82 1HB ASN 82 48.752 61.136 77.717 636 1HD2 ASN 82 2HD2 ASN 82 52.316 60.898 79.705 637 2HD2 ASN 82 1HD2 ASN 82 52.084 62.163 78.545 638 H VAL 83 H VAL 83 51.772 61.450 74.360 639 HA VAL 83 HA VAL 83 53.970 63.204 75.391 640 HB VAL 83 HB VAL 83 54.176 62.575 72.576 641 1HG1 VAL 83 3HG1 VAL 83 55.844 62.834 74.788 642 2HG1 VAL 83 2HG1 VAL 83 56.140 61.131 74.180 643 3HG1 VAL 83 1HG1 VAL 83 56.334 62.472 73.060 644 1HG2 VAL 83 3HG2 VAL 83 53.642 60.284 74.642 645 2HG2 VAL 83 2HG2 VAL 83 52.998 60.386 72.954 646 3HG2 VAL 83 1HG2 VAL 83 54.763 60.035 73.245 647 H LYS 84 H LYS 84 54.967 64.400 73.712 648 HA LYS 84 HA LYS 84 53.071 66.255 72.283 649 1HB LYS 84 2HB LYS 84 55.593 67.059 73.918 650 2HB LYS 84 1HB LYS 84 54.710 68.105 72.733 651 1HG LYS 84 2HG LYS 84 52.858 68.446 74.062 652 2HG LYS 84 1HG LYS 84 52.936 66.727 74.666 653 1HD LYS 84 2HD LYS 84 55.233 68.457 75.529 654 2HD LYS 84 1HD LYS 84 53.657 69.131 76.069 655 1HE LYS 84 2HE LYS 84 53.690 66.130 76.386 656 2HE LYS 84 1HE LYS 84 55.060 66.952 77.296 657 1HZ LYS 84 3HZ LYS 84 53.088 68.553 77.869 658 2HZ LYS 84 2HZ LYS 84 52.143 67.227 77.624 659 3HZ LYS 84 1HZ LYS 84 53.306 67.192 78.823 660 H THR 85 H THR 85 53.857 67.282 70.527 661 HA THR 85 HA THR 85 56.459 66.333 69.365 662 HB THR 85 HB THR 85 53.695 65.365 68.509 663 HG1 THR 85 1HG THR 85 55.888 64.544 69.647 664 1HG2 THR 85 3HG2 THR 85 56.478 65.795 66.964 665 2HG2 THR 85 2HG2 THR 85 55.401 64.369 66.560 666 3HG2 THR 85 1HG2 THR 85 54.834 66.056 66.305 667 H LEU 86 H LEU 86 56.745 68.325 69.944 668 HA LEU 86 HA LEU 86 55.607 70.622 68.641 669 1HB LEU 86 2HB LEU 86 57.234 70.719 70.653 670 2HB LEU 86 1HB LEU 86 58.525 70.118 69.498 671 HG LEU 86 HG LEU 86 57.271 72.361 68.182 672 1HD1 LEU 86 3HD1 LEU 86 56.909 72.642 70.931 673 2HD1 LEU 86 2HD1 LEU 86 58.535 73.406 70.746 674 3HD1 LEU 86 1HD1 LEU 86 57.169 74.003 69.745 675 1HD2 LEU 86 1HD2 LEU 86 59.966 71.385 69.041 676 2HD2 LEU 86 3HD2 LEU 86 59.434 72.214 67.553 677 3HD2 LEU 86 2HD2 LEU 86 59.756 73.228 69.031 678 H VAL 87 H VAL 87 55.845 71.474 66.708 679 HA VAL 87 HA VAL 87 57.980 70.290 64.945 680 HB VAL 87 HB VAL 87 55.318 71.319 63.856 681 1HG1 VAL 87 1HG1 VAL 87 57.522 69.370 62.912 682 2HG1 VAL 87 3HG1 VAL 87 55.826 69.403 62.189 683 3HG1 VAL 87 2HG1 VAL 87 56.932 70.835 62.159 684 1HG2 VAL 87 3HG2 VAL 87 55.941 68.542 65.102 685 2HG2 VAL 87 2HG2 VAL 87 54.584 69.641 65.594 686 3HG2 VAL 87 1HG2 VAL 87 54.587 68.759 63.994 687 H THR 88 H THR 88 58.670 71.420 63.326 688 HA THR 88 HA THR 88 58.297 74.332 63.178 689 HB THR 88 HB THR 88 59.660 74.349 65.091 690 HG1 THR 88 1HG THR 88 61.912 74.586 63.810 691 1HG2 THR 88 2HG2 THR 88 60.535 71.721 64.756 692 2HG2 THR 88 1HG2 THR 88 61.663 72.537 63.618 693 3HG2 THR 88 3HG2 THR 88 61.687 72.960 65.411 694 H TRP 89 H TRP 89 59.508 75.250 61.563 695 HA TRP 89 HA TRP 89 60.191 73.601 59.106 696 1HB TRP 89 2HB TRP 89 59.890 76.586 59.927 697 2HB TRP 89 1HB TRP 89 60.723 76.132 58.379 698 HD1 TRP 89 HD1 TRP 89 57.245 76.746 59.587 699 HE1 TRP 89 HE1 TRP 89 55.712 75.449 57.991 700 HE3 TRP 89 HE3 TRP 89 60.705 73.975 57.231 701 HZ2 TRP 89 HZ2 TRP 89 55.997 73.322 55.911 702 HZ3 TRP 89 HZ3 TRP 89 60.133 72.337 55.513 703 HH2 TRP 89 HH2 TRP 89 57.858 72.072 54.978 704 H GLU 90 H GLU 90 62.377 72.895 58.686 705 HA GLU 90 HA GLU 90 64.177 73.884 60.689 706 1HB GLU 90 2HB GLU 90 63.755 71.582 59.192 707 2HB GLU 90 1HB GLU 90 65.149 72.326 58.285 708 1HG GLU 90 2HG GLU 90 65.104 71.966 61.379 709 2HG GLU 90 1HG GLU 90 65.597 70.615 60.178 710 H GLY 91 H GLY 91 62.947 74.984 57.886 711 1HA GLY 91 1HA GLY 91 63.474 77.084 56.973 712 2HA GLY 91 2HA GLY 91 65.276 76.793 57.179 713 H ASN 92 H ASN 92 63.969 73.916 56.698 714 HA ASN 92 HA ASN 92 63.312 73.597 53.979 715 1HB ASN 92 2HB ASN 92 65.659 72.234 53.586 716 2HB ASN 92 1HB ASN 92 65.587 74.080 53.215 717 1HD2 ASN 92 1HD2 ASN 92 67.519 72.765 56.543 718 2HD2 ASN 92 2HD2 ASN 92 66.376 71.710 55.675 719 H THR 93 H THR 93 61.998 72.590 55.315 720 HA THR 93 HA THR 93 61.163 70.217 55.392 721 HB THR 93 HB THR 93 63.464 69.236 55.534 722 HG1 THR 93 1HG THR 93 61.756 68.087 55.632 723 1HG2 THR 93 3HG2 THR 93 62.798 69.809 58.626 724 2HG2 THR 93 2HG2 THR 93 63.969 68.596 58.099 725 3HG2 THR 93 1HG2 THR 93 64.298 70.342 57.729 726 H LEU 94 H LEU 94 60.228 69.108 57.015 727 HA LEU 94 HA LEU 94 59.288 70.879 59.227 728 1HB LEU 94 2HB LEU 94 57.578 70.302 57.489 729 2HB LEU 94 1HB LEU 94 57.919 68.548 57.822 730 HG LEU 94 HG LEU 94 57.486 69.662 60.380 731 1HD1 LEU 94 3HD1 LEU 94 56.290 71.506 58.636 732 2HD1 LEU 94 2HD1 LEU 94 54.914 70.340 59.017 733 3HD1 LEU 94 1HD1 LEU 94 55.802 71.120 60.363 734 1HD2 LEU 94 3HD2 LEU 94 55.954 67.796 58.528 735 2HD2 LEU 94 2HD2 LEU 94 56.650 67.519 60.201 736 3HD2 LEU 94 1HD2 LEU 94 55.110 68.492 59.969 737 H VAL 95 H VAL 95 60.983 70.416 60.522 738 HA VAL 95 HA VAL 95 61.575 67.840 61.578 739 HB VAL 95 HB VAL 95 61.633 70.701 62.795 740 1HG1 VAL 95 3HG1 VAL 95 62.612 68.104 63.693 741 2HG1 VAL 95 2HG1 VAL 95 63.834 69.486 63.920 742 3HG1 VAL 95 1HG1 VAL 95 62.209 69.542 64.686 743 1HG2 VAL 95 1HG2 VAL 95 63.273 69.233 60.745 744 2HG2 VAL 95 3HG2 VAL 95 63.149 71.068 60.982 745 3HG2 VAL 95 2HG2 VAL 95 64.252 70.085 62.051 746 H CYS 96 H CYS 96 60.465 66.633 63.266 747 HA CYS 96 HA CYS 96 58.944 68.314 65.140 748 1HB CYS 96 2HB CYS 96 57.935 65.477 64.914 749 2HB CYS 96 1HB CYS 96 56.998 66.933 65.134 750 HG CYS 96 HG CYS 96 56.338 67.317 62.820 751 H VAL 97 H VAL 97 59.158 67.948 67.136 752 HA VAL 97 HA VAL 97 61.167 65.980 68.043 753 HB VAL 97 HB VAL 97 60.388 68.530 69.445 754 1HG1 VAL 97 2HG1 VAL 97 62.079 66.706 70.402 755 2HG1 VAL 97 1HG1 VAL 97 63.271 67.400 69.176 756 3HG1 VAL 97 3HG1 VAL 97 62.554 68.427 70.481 757 1HG2 VAL 97 1HG2 VAL 97 61.927 68.164 66.859 758 2HG2 VAL 97 3HG2 VAL 97 60.834 69.530 67.371 759 3HG2 VAL 97 2HG2 VAL 97 62.546 69.423 67.992 760 H GLN 98 H GLN 98 60.436 64.529 69.262 761 HA GLN 98 HA GLN 98 57.883 64.409 70.637 762 1HB GLN 98 2HB GLN 98 60.496 62.814 70.716 763 2HB GLN 98 1HB GLN 98 58.871 62.186 71.389 764 1HG GLN 98 2HG GLN 98 59.683 62.663 68.435 765 2HG GLN 98 1HG GLN 98 58.855 61.204 69.222 766 1HE2 GLN 98 1HE2 GLN 98 55.685 62.488 69.329 767 2HE2 GLN 98 2HE2 GLN 98 56.894 61.522 70.217 768 H LYS 99 H LYS 99 57.746 65.851 72.332 769 HA LYS 99 HA LYS 99 59.976 65.800 74.310 770 1HB LYS 99 2HB LYS 99 58.435 67.810 73.803 771 2HB LYS 99 1HB LYS 99 57.257 67.046 74.924 772 1HG LYS 99 2HG LYS 99 59.223 66.882 76.567 773 2HG LYS 99 1HG LYS 99 60.173 67.970 75.539 774 1HD LYS 99 2HD LYS 99 57.380 68.932 76.132 775 2HD LYS 99 1HD LYS 99 58.500 68.780 77.584 776 1HE LYS 99 2HE LYS 99 58.885 70.327 74.943 777 2HE LYS 99 1HE LYS 99 58.508 71.024 76.589 778 1HZ LYS 99 2HZ LYS 99 60.730 69.568 77.098 779 2HZ LYS 99 1HZ LYS 99 61.112 70.009 75.544 780 3HZ LYS 99 3HZ LYS 99 60.760 71.187 76.682 781 H GLY 100 H GLY 100 59.513 63.378 74.309 782 1HA GLY 100 1HA GLY 100 57.348 62.707 76.357 783 2HA GLY 100 2HA GLY 100 57.997 61.497 75.209 784 H GLU 101 H GLU 101 58.179 60.238 76.712 785 HA GLU 101 HA GLU 101 60.756 59.969 78.075 786 1HB GLU 101 2HB GLU 101 59.187 61.200 79.796 787 2HB GLU 101 1HB GLU 101 58.102 59.772 79.651 788 1HG GLU 101 2HG GLU 101 61.074 59.282 80.219 789 2HG GLU 101 1HG GLU 101 60.035 59.895 81.613 790 H LYS 102 H LYS 102 61.266 58.100 78.311 791 HA LYS 102 HA LYS 102 61.220 55.670 78.475 792 1HB LYS 102 2HB LYS 102 58.665 55.728 78.893 793 2HB LYS 102 1HB LYS 102 58.516 55.786 77.070 794 1HG LYS 102 2HG LYS 102 60.453 53.719 77.837 795 2HG LYS 102 1HG LYS 102 58.799 53.403 78.515 796 1HD LYS 102 2HD LYS 102 57.856 54.001 76.162 797 2HD LYS 102 1HD LYS 102 59.565 53.943 75.587 798 1HE LYS 102 2HE LYS 102 57.708 51.755 75.973 799 2HE LYS 102 1HE LYS 102 59.411 51.761 75.305 800 1HZ LYS 102 3HZ LYS 102 59.966 51.672 77.886 801 2HZ LYS 102 2HZ LYS 102 58.380 51.246 78.053 802 3HZ LYS 102 1HZ LYS 102 59.406 50.306 77.154 803 H GLU 103 H GLU 103 60.250 57.658 75.770 804 HA GLU 103 HA GLU 103 62.156 56.252 74.023 805 1HB GLU 103 2HB GLU 103 60.499 55.801 72.236 806 2HB GLU 103 1HB GLU 103 59.906 55.068 73.801 807 1HG GLU 103 2HG GLU 103 58.868 57.462 74.177 808 2HG GLU 103 1HG GLU 103 58.810 57.471 72.323 809 H ASN 104 H ASN 104 62.089 56.982 71.934 810 HA ASN 104 HA ASN 104 61.576 59.926 71.775 811 1HB ASN 104 2HB ASN 104 63.794 58.030 70.737 812 2HB ASN 104 1HB ASN 104 63.692 59.741 70.074 813 1HD2 ASN 104 2HD2 ASN 104 65.867 59.153 73.367 814 2HD2 ASN 104 1HD2 ASN 104 65.362 57.918 72.013 815 H ARG 105 H ARG 105 59.610 59.768 70.700 816 HA ARG 105 HA ARG 105 59.294 57.786 68.617 817 1HB ARG 105 2HB ARG 105 57.387 59.717 69.933 818 2HB ARG 105 1HB ARG 105 57.164 59.506 68.160 819 1HG ARG 105 2HG ARG 105 57.382 57.261 70.221 820 2HG ARG 105 1HG ARG 105 55.844 57.868 69.407 821 1HD ARG 105 2HD ARG 105 58.145 56.343 68.056 822 2HD ARG 105 1HD ARG 105 56.394 55.940 68.111 823 HE ARG 105 HE ARG 105 57.886 57.800 66.406 824 1HH1 ARG 105 2HH1 ARG 105 54.656 57.060 67.848 825 2HH1 ARG 105 1HH1 ARG 105 53.769 57.902 66.597 826 1HH2 ARG 105 1HH2 ARG 105 56.397 58.977 64.658 827 2HH2 ARG 105 2HH2 ARG 105 54.668 58.887 64.941 828 H GLY 106 H GLY 106 60.827 60.524 68.796 829 1HA GLY 106 1HA GLY 106 61.019 62.380 66.945 830 2HA GLY 106 2HA GLY 106 62.253 61.051 66.879 831 H TRP 107 H TRP 107 59.421 62.394 65.607 832 HA TRP 107 HA TRP 107 59.734 60.925 63.069 833 1HB TRP 107 2HB TRP 107 57.609 60.224 63.135 834 2HB TRP 107 1HB TRP 107 57.201 61.197 64.580 835 HD1 TRP 107 HD1 TRP 107 57.945 61.864 60.641 836 HE1 TRP 107 HE1 TRP 107 56.457 63.736 59.865 837 HE3 TRP 107 HE3 TRP 107 55.727 62.882 65.101 838 HZ2 TRP 107 HZ2 TRP 107 54.746 65.353 61.013 839 HZ3 TRP 107 HZ3 TRP 107 54.056 64.712 65.156 840 HH2 TRP 107 HH2 TRP 107 53.613 65.915 63.058 841 H LYS 108 H LYS 108 60.461 61.935 61.561 842 HA LYS 108 HA LYS 108 59.665 64.729 61.128 843 1HB LYS 108 2HB LYS 108 62.318 65.104 60.608 844 2HB LYS 108 1HB LYS 108 61.646 65.399 62.305 845 1HG LYS 108 2HG LYS 108 62.205 62.888 62.778 846 2HG LYS 108 1HG LYS 108 63.308 63.092 61.285 847 1HD LYS 108 2HD LYS 108 64.499 63.456 63.462 848 2HD LYS 108 1HD LYS 108 64.507 64.897 62.401 849 1HE LYS 108 2HE LYS 108 63.123 66.045 63.877 850 2HE LYS 108 1HE LYS 108 62.193 64.511 64.380 851 1HZ LYS 108 3HZ LYS 108 65.024 65.000 65.277 852 2HZ LYS 108 2HZ LYS 108 63.690 65.662 66.096 853 3HZ LYS 108 1HZ LYS 108 63.827 64.057 65.934 854 H GLN 109 H GLN 109 60.827 65.690 59.369 855 HA GLN 109 HA GLN 109 61.143 63.585 57.155 856 1HB GLN 109 2HB GLN 109 60.022 65.667 55.751 857 2HB GLN 109 1HB GLN 109 58.961 64.373 56.518 858 1HG GLN 109 2HG GLN 109 59.761 66.812 58.190 859 2HG GLN 109 1HG GLN 109 58.532 66.953 56.811 860 1HE2 GLN 109 2HE2 GLN 109 57.449 65.233 60.286 861 2HE2 GLN 109 1HE2 GLN 109 59.059 66.110 60.003 862 H TRP 110 H TRP 110 61.982 64.566 55.037 863 HA TRP 110 HA TRP 110 63.276 67.081 55.068 864 1HB TRP 110 2HB TRP 110 65.667 66.139 55.312 865 2HB TRP 110 1HB TRP 110 64.673 66.604 56.769 866 HD1 TRP 110 HD1 TRP 110 64.776 63.177 54.734 867 HE1 TRP 110 HE1 TRP 110 65.159 61.355 56.570 868 HE3 TRP 110 HE3 TRP 110 65.092 66.212 58.573 869 HZ2 TRP 110 HZ2 TRP 110 65.553 61.411 59.312 870 HZ3 TRP 110 HZ3 TRP 110 65.488 65.427 60.876 871 HH2 TRP 110 HH2 TRP 110 65.714 63.004 61.205 872 H VAL 111 H VAL 111 62.646 67.281 53.129 873 HA VAL 111 HA VAL 111 62.595 65.785 50.873 874 HB VAL 111 HB VAL 111 63.535 68.716 51.205 875 1HG1 VAL 111 1HG1 VAL 111 64.295 67.713 48.958 876 2HG1 VAL 111 3HG1 VAL 111 62.578 67.379 48.652 877 3HG1 VAL 111 2HG1 VAL 111 63.123 69.097 48.873 878 1HG2 VAL 111 1HG2 VAL 111 61.183 68.161 52.044 879 2HG2 VAL 111 3HG2 VAL 111 61.182 69.249 50.599 880 3HG2 VAL 111 2HG2 VAL 111 60.833 67.444 50.443 881 H GLU 112 H GLU 112 63.922 64.343 50.231 882 HA GLU 112 HA GLU 112 66.748 65.219 49.847 883 1HB GLU 112 2HB GLU 112 65.701 63.122 51.499 884 2HB GLU 112 1HB GLU 112 66.491 62.332 50.092 885 1HG GLU 112 2HG GLU 112 67.762 64.715 51.492 886 2HG GLU 112 1HG GLU 112 67.876 62.980 52.236 887 H GLY 113 H GLY 113 66.428 65.827 47.838 888 1HA GLY 113 1HA GLY 113 66.802 65.521 45.525 889 2HA GLY 113 2HA GLY 113 66.550 63.727 45.665 890 H ASP 114 H ASP 114 64.894 62.931 44.905 891 HA ASP 114 HA ASP 114 62.560 64.676 44.028 892 1HB ASP 114 2HB ASP 114 63.941 62.195 42.719 893 2HB ASP 114 1HB ASP 114 62.411 63.060 42.067 894 H LYS 115 H LYS 115 62.710 63.386 46.470 895 HA LYS 115 HA LYS 115 60.178 62.061 46.681 896 1HB LYS 115 2HB LYS 115 60.708 59.830 46.894 897 2HB LYS 115 1HB LYS 115 61.760 60.311 45.493 898 1HG LYS 115 2HG LYS 115 63.444 60.985 47.558 899 2HG LYS 115 1HG LYS 115 62.594 59.473 48.226 900 1HD LYS 115 2HD LYS 115 63.108 58.454 45.935 901 2HD LYS 115 1HD LYS 115 64.189 59.859 45.567 902 1HE LYS 115 2HE LYS 115 65.678 59.237 47.434 903 2HE LYS 115 1HE LYS 115 64.374 58.282 48.200 904 1HZ LYS 115 3HZ LYS 115 64.884 57.163 45.593 905 2HZ LYS 115 2HZ LYS 115 66.333 57.383 46.312 906 3HZ LYS 115 1HZ LYS 115 65.169 56.461 47.079 907 H LEU 116 H LEU 116 59.762 61.330 48.758 908 HA LEU 116 HA LEU 116 61.392 63.071 50.596 909 1HB LEU 116 2HB LEU 116 58.634 62.492 50.309 910 2HB LEU 116 1HB LEU 116 59.066 61.777 51.931 911 HG LEU 116 HG LEU 116 60.374 64.169 52.117 912 1HD1 LEU 116 3HD1 LEU 116 59.011 64.462 49.775 913 2HD1 LEU 116 2HD1 LEU 116 57.710 65.046 50.933 914 3HD1 LEU 116 1HD1 LEU 116 59.309 65.903 50.764 915 1HD2 LEU 116 3HD2 LEU 116 58.410 62.895 53.528 916 2HD2 LEU 116 2HD2 LEU 116 58.710 64.628 53.820 917 3HD2 LEU 116 1HD2 LEU 116 57.371 64.128 52.711 918 H TYR 117 H TYR 117 61.281 62.559 52.867 919 HA TYR 117 HA TYR 117 61.932 59.718 53.278 920 1HB TYR 117 2HB TYR 117 64.012 61.944 53.132 921 2HB TYR 117 1HB TYR 117 64.074 60.900 54.617 922 HD1 TYR 117 HD1 TYR 117 63.423 58.245 53.708 923 HD2 TYR 117 HD2 TYR 117 65.555 61.176 51.449 924 HE1 TYR 117 HE1 TYR 117 64.438 56.486 52.390 925 HE2 TYR 117 HE2 TYR 117 66.601 59.436 50.078 926 HH TYR 117 HH TYR 117 66.588 56.185 50.994 927 H LEU 118 H LEU 118 60.224 59.628 54.257 928 HA LEU 118 HA LEU 118 59.883 61.089 56.853 929 1HB LEU 118 2HB LEU 118 58.244 59.903 54.933 930 2HB LEU 118 1HB LEU 118 58.200 58.629 56.271 931 HG LEU 118 HG LEU 118 57.329 61.542 56.698 932 1HD1 LEU 118 2HD1 LEU 118 55.792 58.883 56.451 933 2HD1 LEU 118 1HD1 LEU 118 55.148 60.457 56.993 934 3HD1 LEU 118 3HD1 LEU 118 55.766 60.331 55.309 935 1HD2 LEU 118 3HD2 LEU 118 58.371 60.126 58.702 936 2HD2 LEU 118 2HD2 LEU 118 56.590 60.660 58.862 937 3HD2 LEU 118 1HD2 LEU 118 57.082 58.954 58.401 938 H GLU 119 H GLU 119 61.710 60.655 57.867 939 HA GLU 119 HA GLU 119 62.325 57.842 58.737 940 1HB GLU 119 2HB GLU 119 63.915 60.505 58.741 941 2HB GLU 119 1HB GLU 119 64.190 59.312 60.015 942 1HG GLU 119 2HG GLU 119 64.497 57.482 58.286 943 2HG GLU 119 1HG GLU 119 64.347 58.716 56.982 944 H LEU 120 H LEU 120 61.648 57.084 60.500 945 HA LEU 120 HA LEU 120 60.994 59.062 62.629 946 1HB LEU 120 2HB LEU 120 58.807 58.634 62.765 947 2HB LEU 120 1HB LEU 120 58.986 57.892 61.109 948 HG LEU 120 HG LEU 120 59.627 55.758 62.314 949 1HD1 LEU 120 1HD1 LEU 120 59.190 57.341 64.630 950 2HD1 LEU 120 3HD1 LEU 120 57.662 56.363 64.539 951 3HD1 LEU 120 2HD1 LEU 120 59.225 55.488 64.574 952 1HD2 LEU 120 1HD2 LEU 120 56.754 56.854 62.221 953 2HD2 LEU 120 3HD2 LEU 120 57.510 55.644 61.135 954 3HD2 LEU 120 2HD2 LEU 120 57.048 55.187 62.850 955 H THR 121 H THR 121 61.228 58.265 64.772 956 HA THR 121 HA THR 121 62.392 55.485 64.947 957 HB THR 121 HB THR 121 64.320 56.903 65.050 958 HG1 THR 121 1HG THR 121 64.421 55.547 66.720 959 1HG2 THR 121 1HG2 THR 121 62.449 58.703 66.756 960 2HG2 THR 121 3HG2 THR 121 64.260 58.895 66.931 961 3HG2 THR 121 2HG2 THR 121 63.436 59.189 65.364 962 H CYS 122 H CYS 122 62.550 54.880 67.475 963 HA CYS 122 HA CYS 122 60.470 56.074 69.149 964 1HB CYS 122 2HB CYS 122 59.089 54.749 67.420 965 2HB CYS 122 1HB CYS 122 59.919 53.262 67.918 966 HG CYS 122 HG CYS 122 59.334 53.818 70.623 967 H GLY 123 H GLY 123 62.263 56.109 70.279 968 1HA GLY 123 1HA GLY 123 63.308 55.333 72.350 969 2HA GLY 123 2HA GLY 123 62.498 53.745 72.076 970 H ASP 124 H ASP 124 63.306 52.279 70.662 971 HA ASP 124 HA ASP 124 66.333 52.447 70.291 972 1HB ASP 124 2HB ASP 124 64.500 49.989 70.549 973 2HB ASP 124 1HB ASP 124 66.349 49.975 70.453 974 H GLN 125 H GLN 125 63.214 51.990 68.660 975 HA GLN 125 HA GLN 125 64.721 50.774 66.377 976 1HB GLN 125 2HB GLN 125 61.781 51.496 66.969 977 2HB GLN 125 1HB GLN 125 62.271 50.809 65.409 978 1HG GLN 125 2HG GLN 125 63.007 49.375 68.050 979 2HG GLN 125 1HG GLN 125 61.568 49.047 66.974 980 1HE2 GLN 125 1HE2 GLN 125 64.433 46.917 65.951 981 2HE2 GLN 125 2HE2 GLN 125 63.468 47.298 67.567 982 H VAL 126 H VAL 126 64.461 51.530 64.347 983 HA VAL 126 HA VAL 126 64.062 54.425 63.908 984 HB VAL 126 HB VAL 126 66.518 54.302 64.309 985 1HG1 VAL 126 2HG1 VAL 126 66.126 51.532 63.258 986 2HG1 VAL 126 1HG1 VAL 126 67.328 52.396 62.219 987 3HG1 VAL 126 3HG1 VAL 126 67.634 52.245 63.979 988 1HG2 VAL 126 1HG2 VAL 126 65.746 55.532 62.226 989 2HG2 VAL 126 3HG2 VAL 126 67.457 55.011 62.182 990 3HG2 VAL 126 2HG2 VAL 126 66.172 54.068 61.291 991 H CYS 127 H CYS 127 62.338 54.109 62.707 992 HA CYS 127 HA CYS 127 62.307 52.144 60.463 993 1HB CYS 127 2HB CYS 127 60.262 54.386 61.083 994 2HB CYS 127 1HB CYS 127 60.035 52.892 60.172 995 HG CYS 127 HG CYS 127 59.813 53.423 63.350 996 H ARG 128 H ARG 128 62.590 52.409 58.479 997 HA ARG 128 HA ARG 128 63.270 55.308 57.684 998 1HB ARG 128 2HB ARG 128 65.238 54.108 57.460 999 2HB ARG 128 1HB ARG 128 64.406 52.572 56.970 1000 1HG ARG 128 2HG ARG 128 64.144 53.307 54.708 1001 2HG ARG 128 1HG ARG 128 64.284 55.044 55.122 1002 1HD ARG 128 2HD ARG 128 66.555 54.820 54.620 1003 2HD ARG 128 1HD ARG 128 66.648 53.721 56.086 1004 HE ARG 128 HE ARG 128 65.698 52.193 53.916 1005 1HH1 ARG 128 2HH1 ARG 128 68.665 53.791 55.077 1006 2HH1 ARG 128 1HH1 ARG 128 69.741 52.627 54.289 1007 1HH2 ARG 128 1HH2 ARG 128 68.868 50.902 53.081 1008 2HH2 ARG 128 2HH2 ARG 128 67.143 50.699 52.912 1009 H GLN 129 H GLN 129 61.612 56.233 56.430 1010 HA GLN 129 HA GLN 129 60.222 54.243 54.610 1011 1HB GLN 129 2HB GLN 129 59.701 57.223 55.051 1012 2HB GLN 129 1HB GLN 129 58.735 56.029 54.009 1013 1HG GLN 129 2HG GLN 129 58.240 54.636 55.936 1014 2HG GLN 129 1HG GLN 129 59.122 55.855 57.030 1015 1HE2 GLN 129 1HE2 GLN 129 55.625 57.148 55.101 1016 2HE2 GLN 129 2HE2 GLN 129 56.867 56.276 54.219 1017 H VAL 130 H VAL 130 59.911 54.572 52.349 1018 HA VAL 130 HA VAL 130 62.019 56.333 51.151 1019 HB VAL 130 HB VAL 130 61.507 53.448 50.065 1020 1HG1 VAL 130 3HG1 VAL 130 62.747 55.347 48.792 1021 2HG1 VAL 130 2HG1 VAL 130 64.134 55.122 49.940 1022 3HG1 VAL 130 1HG1 VAL 130 63.618 53.765 48.876 1023 1HG2 VAL 130 3HG2 VAL 130 63.122 54.254 52.457 1024 2HG2 VAL 130 2HG2 VAL 130 62.315 52.724 52.123 1025 3HG2 VAL 130 1HG2 VAL 130 63.888 53.086 51.263 1026 H PHE 131 H PHE 131 61.340 57.343 49.552 1027 HA PHE 131 HA PHE 131 58.587 56.920 48.363 1028 1HB PHE 131 2HB PHE 131 60.272 59.275 49.310 1029 2HB PHE 131 1HB PHE 131 59.105 59.509 47.942 1030 HD1 PHE 131 HD1 PHE 131 58.494 57.080 50.825 1031 HD2 PHE 131 HD2 PHE 131 57.852 61.045 49.175 1032 HE1 PHE 131 HE1 PHE 131 56.745 57.465 52.514 1033 HE2 PHE 131 HE2 PHE 131 56.101 61.374 50.883 1034 HZ PHE 131 HZ PHE 131 55.574 59.585 52.530 1035 H LYS 132 H LYS 132 58.451 58.457 46.353 1036 HA LYS 132 HA LYS 132 60.801 58.802 44.688 1037 1HB LYS 132 2HB LYS 132 59.779 57.275 42.842 1038 2HB LYS 132 1HB LYS 132 60.456 56.375 44.232 1039 1HG LYS 132 2HG LYS 132 58.502 55.298 44.444 1040 2HG LYS 132 1HG LYS 132 57.799 56.845 45.110 1041 1HD LYS 132 2HD LYS 132 56.608 55.644 43.179 1042 2HD LYS 132 1HD LYS 132 56.708 57.484 43.225 1043 1HE LYS 132 2HE LYS 132 57.735 57.463 41.138 1044 2HE LYS 132 1HE LYS 132 58.871 56.129 41.586 1045 1HZ LYS 132 1HZ LYS 132 56.059 55.498 41.321 1046 2HZ LYS 132 3HZ LYS 132 56.849 55.776 39.898 1047 3HZ LYS 132 2HZ LYS 132 57.378 54.578 40.914 1048 H LYS 133 H LYS 133 58.857 60.316 45.925 1049 HA LYS 133 HA LYS 133 56.864 61.781 45.358 1050 1HB LYS 133 2HB LYS 133 57.592 63.273 43.830 1051 2HB LYS 133 1HB LYS 133 59.134 62.301 44.035 1052 1HG LYS 133 2HG LYS 133 57.676 60.931 41.985 1053 2HG LYS 133 1HG LYS 133 57.443 62.714 41.672 1054 1HD LYS 133 2HD LYS 133 60.063 62.904 41.754 1055 2HD LYS 133 1HD LYS 133 59.939 61.055 41.694 1056 1HE LYS 133 2HE LYS 133 58.309 62.698 39.788 1057 2HE LYS 133 1HE LYS 133 60.087 62.235 39.479 1058 1HZ LYS 133 3HZ LYS 133 59.364 59.937 40.176 1059 2HZ LYS 133 2HZ LYS 133 57.766 60.371 39.884 1060 3HZ LYS 133 1HZ LYS 133 58.918 60.402 38.675 1061 H LYS 134 H LYS 134 55.934 62.089 42.736 1062 HA LYS 134 HA LYS 134 54.361 59.555 42.532 1063 1HB LYS 134 2HB LYS 134 52.304 61.265 42.110 1064 2HB LYS 134 1HB LYS 134 52.977 61.119 43.755 1065 1HG LYS 134 2HG LYS 134 52.987 63.448 43.631 1066 2HG LYS 134 1HG LYS 134 54.469 63.322 42.623 1067 1HD LYS 134 2HD LYS 134 52.963 62.899 40.623 1068 2HD LYS 134 1HD LYS 134 51.641 63.530 41.730 1069 1HE LYS 134 2HE LYS 134 53.163 65.436 42.424 1070 2HE LYS 134 1HE LYS 134 54.299 64.883 41.073 1071 1HZ LYS 134 2HZ LYS 134 52.231 65.313 39.616 1072 2HZ LYS 134 1HZ LYS 134 51.596 66.125 40.977 1073 3HZ LYS 134 3HZ LYS 134 52.989 66.659 40.219 No H/Q in entry = 1073 Start of MODEL 22 1 1H MET 1 2H MET 1 64.625 75.759 45.831 2 2H MET 1 1H MET 1 65.036 74.375 45.040 3 3H MET 1 3H MET 1 63.724 75.259 44.514 4 HA MET 1 HA MET 1 62.357 74.744 46.395 5 1HB MET 1 2HB MET 1 63.977 72.196 45.806 6 2HB MET 1 1HB MET 1 62.276 72.309 46.456 7 1HG MET 1 2HG MET 1 63.087 73.571 43.762 8 2HG MET 1 1HG MET 1 62.453 71.961 43.833 9 1HE MET 1 1HE MET 1 61.866 75.565 43.773 10 2HE MET 1 3HE MET 1 61.090 74.649 42.358 11 3HE MET 1 2HE MET 1 60.119 75.655 43.316 12 H THR 2 H THR 2 62.143 74.128 48.388 13 HA THR 2 HA THR 2 64.532 73.331 49.992 14 HB THR 2 HB THR 2 63.122 76.030 50.446 15 HG1 THR 2 1HG THR 2 64.800 76.843 49.513 16 1HG2 THR 2 1HG2 THR 2 64.436 74.152 52.318 17 2HG2 THR 2 3HG2 THR 2 65.771 75.215 51.837 18 3HG2 THR 2 2HG2 THR 2 64.349 75.909 52.668 19 H LYS 3 H LYS 3 61.250 74.904 50.235 20 HA LYS 3 HA LYS 3 60.363 72.464 51.713 21 1HB LYS 3 2HB LYS 3 60.033 73.324 53.838 22 2HB LYS 3 1HB LYS 3 61.602 74.134 53.332 23 1HG LYS 3 2HG LYS 3 58.968 75.595 52.798 24 2HG LYS 3 1HG LYS 3 59.586 75.409 54.469 25 1HD LYS 3 2HD LYS 3 61.671 76.183 52.415 26 2HD LYS 3 1HD LYS 3 60.424 77.425 52.909 27 1HE LYS 3 2HE LYS 3 60.977 76.575 55.356 28 2HE LYS 3 1HE LYS 3 62.496 75.948 54.545 29 1HZ LYS 3 1HZ LYS 3 61.513 78.806 54.368 30 2HZ LYS 3 3HZ LYS 3 62.585 78.333 55.479 31 3HZ LYS 3 2HZ LYS 3 62.971 78.216 53.838 32 H ASP 4 H ASP 4 58.024 72.977 52.747 33 HA ASP 4 HA ASP 4 55.816 73.211 52.077 34 1HB ASP 4 2HB ASP 4 56.875 75.868 50.966 35 2HB ASP 4 1HB ASP 4 55.140 75.372 50.949 36 H GLN 5 H GLN 5 56.197 71.231 50.796 37 HA GLN 5 HA GLN 5 55.666 71.952 47.922 38 1HB GLN 5 2HB GLN 5 58.205 71.461 48.829 39 2HB GLN 5 1HB GLN 5 57.692 69.724 48.652 40 1HG GLN 5 2HG GLN 5 57.441 71.877 46.442 41 2HG GLN 5 1HG GLN 5 58.790 70.597 46.657 42 1HE2 GLN 5 1HE2 GLN 5 57.090 67.851 45.671 43 2HE2 GLN 5 2HE2 GLN 5 58.429 68.609 46.586 44 H ASN 6 H ASN 6 53.759 71.321 48.089 45 HA ASN 6 HA ASN 6 52.611 68.968 49.287 46 1HB ASN 6 2HB ASN 6 51.422 70.733 46.998 47 2HB ASN 6 1HB ASN 6 50.575 69.427 47.957 48 1HD2 ASN 6 1HD2 ASN 6 49.504 72.061 49.942 49 2HD2 ASN 6 2HD2 ASN 6 49.182 70.991 48.435 50 H GLY 7 H GLY 7 51.606 67.237 48.313 51 1HA GLY 7 1HA GLY 7 51.751 66.411 45.627 52 2HA GLY 7 2HA GLY 7 53.377 65.991 46.341 53 H THR 8 H THR 8 52.997 63.768 46.146 54 HA THR 8 HA THR 8 51.550 62.541 48.336 55 HB THR 8 HB THR 8 49.934 62.815 45.972 56 HG1 THR 8 1HG THR 8 48.693 61.590 47.260 57 1HG2 THR 8 3HG2 THR 8 51.216 59.981 46.469 58 2HG2 THR 8 2HG2 THR 8 49.841 60.281 45.326 59 3HG2 THR 8 1HG2 THR 8 51.495 60.958 44.974 60 H TRP 9 H TRP 9 52.561 60.728 48.814 61 HA TRP 9 HA TRP 9 54.723 60.036 46.821 62 1HB TRP 9 2HB TRP 9 55.264 59.827 49.801 63 2HB TRP 9 1HB TRP 9 56.443 59.882 48.440 64 HD1 TRP 9 HD1 TRP 9 53.666 62.055 50.115 65 HE1 TRP 9 HE1 TRP 9 54.208 64.562 50.116 66 HE3 TRP 9 HE3 TRP 9 57.827 61.684 47.558 67 HZ2 TRP 9 HZ2 TRP 9 56.227 66.012 49.084 68 HZ3 TRP 9 HZ3 TRP 9 59.133 63.707 47.017 69 HH2 TRP 9 HH2 TRP 9 58.332 65.907 47.784 70 H GLU 10 H GLU 10 54.988 58.072 46.051 71 HA GLU 10 HA GLU 10 53.293 55.967 47.324 72 1HB GLU 10 2HB GLU 10 55.460 55.816 45.105 73 2HB GLU 10 1HB GLU 10 54.222 54.516 45.476 74 1HG GLU 10 2HG GLU 10 52.521 56.615 45.172 75 2HG GLU 10 1HG GLU 10 53.917 57.215 44.144 76 H MET 11 H MET 11 53.968 55.168 49.133 77 HA MET 11 HA MET 11 56.802 54.995 49.927 78 1HB MET 11 2HB MET 11 54.701 55.003 51.427 79 2HB MET 11 1HB MET 11 54.201 53.430 50.642 80 1HG MET 11 2HG MET 11 56.608 52.583 51.619 81 2HG MET 11 1HG MET 11 56.421 53.960 52.700 82 1HE MET 11 3HE MET 11 53.734 54.472 53.066 83 2HE MET 11 2HE MET 11 52.517 53.250 52.709 84 3HE MET 11 1HE MET 11 53.177 53.482 54.417 85 H GLU 12 H GLU 12 57.620 54.206 48.050 86 HA GLU 12 HA GLU 12 57.226 52.025 46.511 87 1HB GLU 12 2HB GLU 12 59.157 53.536 46.089 88 2HB GLU 12 1HB GLU 12 59.921 53.061 47.658 89 1HG GLU 12 2HG GLU 12 60.110 50.649 46.793 90 2HG GLU 12 1HG GLU 12 59.233 51.299 45.251 91 H SER 13 H SER 13 58.904 52.223 49.572 92 HA SER 13 HA SER 13 58.199 49.461 50.360 93 1HB SER 13 2HB SER 13 61.012 50.354 49.446 94 2HB SER 13 1HB SER 13 60.830 49.022 50.737 95 HG SER 13 HG SER 13 60.059 47.754 49.254 96 H ASN 14 H ASN 14 58.660 48.969 52.253 97 HA ASN 14 HA ASN 14 59.274 51.187 54.188 98 1HB ASN 14 2HB ASN 14 57.117 50.184 54.851 99 2HB ASN 14 1HB ASN 14 57.636 48.558 54.187 100 1HD2 ASN 14 1HD2 ASN 14 59.012 47.518 57.217 101 2HD2 ASN 14 2HD2 ASN 14 58.528 47.233 55.440 102 H GLU 15 H GLU 15 60.724 51.105 55.729 103 HA GLU 15 HA GLU 15 62.764 49.057 55.285 104 1HB GLU 15 2HB GLU 15 62.911 51.573 56.124 105 2HB GLU 15 1HB GLU 15 62.535 50.966 57.753 106 1HG GLU 15 2HG GLU 15 64.446 49.107 57.036 107 2HG GLU 15 1HG GLU 15 65.046 50.606 56.102 108 H ASN 16 H ASN 16 60.944 50.028 58.239 109 HA ASN 16 HA ASN 16 60.632 47.199 59.059 110 1HB ASN 16 2HB ASN 16 62.396 47.744 60.603 111 2HB ASN 16 1HB ASN 16 62.009 49.559 60.309 112 1HD2 ASN 16 2HD2 ASN 16 60.991 49.593 63.614 113 2HD2 ASN 16 1HD2 ASN 16 62.273 50.038 62.332 114 H PHE 17 H PHE 17 58.692 46.799 59.986 115 HA PHE 17 HA PHE 17 56.893 49.202 60.387 116 1HB PHE 17 2HB PHE 17 55.007 47.864 59.564 117 2HB PHE 17 1HB PHE 17 56.349 48.053 58.323 118 HD1 PHE 17 HD2 PHE 17 54.901 45.673 60.788 119 HD2 PHE 17 HD1 PHE 17 57.443 46.197 57.444 120 HE1 PHE 17 HE2 PHE 17 55.100 43.130 60.610 121 HE2 PHE 17 HE1 PHE 17 57.646 43.702 57.269 122 HZ PHE 17 HZ PHE 17 56.465 42.180 58.849 123 H GLU 18 H GLU 18 57.552 45.835 61.247 124 HA GLU 18 HA GLU 18 55.667 45.860 63.568 125 1HB GLU 18 2HB GLU 18 56.654 43.783 62.118 126 2HB GLU 18 1HB GLU 18 58.130 44.071 63.102 127 1HG GLU 18 2HG GLU 18 55.986 44.057 65.009 128 2HG GLU 18 1HG GLU 18 55.892 42.488 63.942 129 H GLY 19 H GLY 19 59.068 46.455 62.946 130 1HA GLY 19 1HA GLY 19 60.006 46.357 65.707 131 2HA GLY 19 2HA GLY 19 60.744 47.237 64.347 132 H TYR 20 H TYR 20 58.310 48.809 63.744 133 HA TYR 20 HA TYR 20 58.934 50.840 65.841 134 1HB TYR 20 2HB TYR 20 58.812 51.650 63.619 135 2HB TYR 20 1HB TYR 20 57.384 50.594 63.181 136 HD1 TYR 20 HD2 TYR 20 57.530 52.821 66.142 137 HD2 TYR 20 HD1 TYR 20 56.016 52.063 62.221 138 HE1 TYR 20 HE2 TYR 20 55.899 54.657 66.471 139 HE2 TYR 20 HE1 TYR 20 54.331 53.900 62.447 140 HH TYR 20 HH TYR 20 53.623 55.493 63.860 141 H MET 21 H MET 21 56.219 48.884 64.763 142 HA MET 21 HA MET 21 54.148 49.849 66.496 143 1HB MET 21 2HB MET 21 55.005 47.216 65.084 144 2HB MET 21 1HB MET 21 53.719 47.149 66.291 145 1HG MET 21 2HG MET 21 52.315 48.631 64.956 146 2HG MET 21 1HG MET 21 53.621 49.315 64.000 147 1HE MET 21 3HE MET 21 52.000 49.060 62.236 148 2HE MET 21 2HE MET 21 51.799 47.733 61.186 149 3HE MET 21 1HE MET 21 50.794 47.861 62.758 150 H LYS 22 H LYS 22 56.515 47.485 66.853 151 HA LYS 22 HA LYS 22 55.786 46.745 69.573 152 1HB LYS 22 2HB LYS 22 57.956 45.315 69.480 153 2HB LYS 22 1HB LYS 22 56.883 45.010 68.012 154 1HG LYS 22 2HG LYS 22 58.725 45.372 66.823 155 2HG LYS 22 1HG LYS 22 58.377 47.126 67.263 156 1HD LYS 22 2HD LYS 22 60.338 47.255 68.538 157 2HD LYS 22 1HD LYS 22 59.812 45.783 69.487 158 1HE LYS 22 2HE LYS 22 60.587 44.646 67.009 159 2HE LYS 22 1HE LYS 22 61.695 46.048 67.124 160 1HZ LYS 22 1HZ LYS 22 61.212 44.026 69.210 161 2HZ LYS 22 3HZ LYS 22 62.512 43.988 68.180 162 3HZ LYS 22 2HZ LYS 22 62.383 45.265 69.246 163 H ALA 23 H ALA 23 57.695 49.083 68.207 164 HA ALA 23 HA ALA 23 59.666 49.298 70.339 165 1HB ALA 23 2HB ALA 23 59.452 50.601 67.944 166 2HB ALA 23 1HB ALA 23 58.769 51.871 69.024 167 3HB ALA 23 3HB ALA 23 60.425 51.219 69.358 168 H LEU 24 H LEU 24 56.626 50.659 69.711 169 HA LEU 24 HA LEU 24 56.518 52.170 72.305 170 1HB LEU 24 2HB LEU 24 53.824 51.988 71.185 171 2HB LEU 24 1HB LEU 24 54.957 53.421 71.134 172 HG LEU 24 HG LEU 24 54.931 51.232 68.930 173 1HD1 LEU 24 3HD1 LEU 24 53.046 53.364 69.570 174 2HD1 LEU 24 2HD1 LEU 24 53.870 53.788 68.039 175 3HD1 LEU 24 1HD1 LEU 24 53.068 52.178 68.181 176 1HD2 LEU 24 2HD2 LEU 24 57.085 52.720 69.286 177 2HD2 LEU 24 1HD2 LEU 24 56.258 53.025 67.716 178 3HD2 LEU 24 3HD2 LEU 24 55.951 54.113 69.110 179 H ASP 25 H ASP 25 56.022 49.308 70.990 180 HA ASP 25 HA ASP 25 55.402 47.144 71.672 181 1HB ASP 25 2HB ASP 25 54.461 48.449 74.300 182 2HB ASP 25 1HB ASP 25 55.107 46.767 73.939 183 H ILE 26 H ILE 26 53.853 47.766 69.985 184 HA ILE 26 HA ILE 26 51.015 47.873 71.062 185 HB ILE 26 HB ILE 26 51.959 49.582 69.274 186 1HG1 ILE 26 2HG1 ILE 26 49.764 49.338 67.858 187 2HG1 ILE 26 1HG1 ILE 26 49.478 47.915 68.942 188 1HG2 ILE 26 3HG2 ILE 26 52.742 47.311 67.979 189 2HG2 ILE 26 2HG2 ILE 26 51.048 47.528 67.256 190 3HG2 ILE 26 1HG2 ILE 26 52.302 48.823 67.074 191 1HD1 ILE 26 3HD1 ILE 26 50.409 50.433 70.354 192 2HD1 ILE 26 2HD1 ILE 26 48.705 50.440 69.778 193 3HD1 ILE 26 1HD1 ILE 26 49.281 49.132 70.898 194 H ASP 27 H ASP 27 53.238 45.824 70.689 195 HA ASP 27 HA ASP 27 52.663 43.919 68.763 196 1HB ASP 27 2HB ASP 27 54.653 43.890 70.277 197 2HB ASP 27 1HB ASP 27 53.507 43.364 71.696 198 H PHE 28 H PHE 28 50.643 43.328 68.288 199 HA PHE 28 HA PHE 28 49.342 41.787 70.443 200 1HB PHE 28 2HB PHE 28 48.591 44.504 69.410 201 2HB PHE 28 1HB PHE 28 47.257 43.342 69.089 202 HD1 PHE 28 HD1 PHE 28 49.340 45.043 71.677 203 HD2 PHE 28 HD2 PHE 28 46.026 42.430 70.946 204 HE1 PHE 28 HE1 PHE 28 48.628 45.339 74.057 205 HE2 PHE 28 HE2 PHE 28 45.270 42.689 73.299 206 HZ PHE 28 HZ PHE 28 46.598 44.159 74.841 207 H ALA 29 H ALA 29 50.758 41.289 67.866 208 HA ALA 29 HA ALA 29 50.508 39.947 66.003 209 1HB ALA 29 2HB ALA 29 48.358 39.047 68.039 210 2HB ALA 29 1HB ALA 29 48.192 38.400 66.375 211 3HB ALA 29 3HB ALA 29 49.728 38.090 67.345 212 H THR 30 H THR 30 49.999 42.292 65.759 213 HA THR 30 HA THR 30 47.481 42.491 64.208 214 HB THR 30 HB THR 30 48.305 44.230 66.017 215 HG1 THR 30 1HG THR 30 47.217 45.790 64.524 216 1HG2 THR 30 1HG2 THR 30 49.427 45.242 63.246 217 2HG2 THR 30 3HG2 THR 30 49.086 46.332 64.647 218 3HG2 THR 30 2HG2 THR 30 50.400 45.061 64.757 219 H ARG 31 H ARG 31 50.877 42.334 64.009 220 HA ARG 31 HA ARG 31 51.303 43.280 61.288 221 1HB ARG 31 2HB ARG 31 53.342 41.453 62.395 222 2HB ARG 31 1HB ARG 31 53.471 43.096 61.684 223 1HG ARG 31 2HG ARG 31 54.088 43.657 63.918 224 2HG ARG 31 1HG ARG 31 52.257 43.720 64.152 225 1HD ARG 31 2HD ARG 31 52.415 41.638 65.360 226 2HD ARG 31 1HD ARG 31 53.774 41.049 64.282 227 HE ARG 31 HE ARG 31 54.499 43.298 65.914 228 1HH1 ARG 31 1HH1 ARG 31 54.088 39.704 65.782 229 2HH1 ARG 31 2HH1 ARG 31 55.301 39.433 67.047 230 1HH2 ARG 31 1HH2 ARG 31 56.143 42.799 67.620 231 2HH2 ARG 31 2HH2 ARG 31 56.421 41.120 68.040 232 H LYS 32 H LYS 32 52.994 41.344 60.256 233 HA LYS 32 HA LYS 32 53.096 39.232 59.385 234 1HB LYS 32 2HB LYS 32 51.579 38.480 61.318 235 2HB LYS 32 1HB LYS 32 50.216 38.733 60.154 236 1HG LYS 32 2HG LYS 32 50.639 36.469 59.672 237 2HG LYS 32 1HG LYS 32 51.692 37.240 58.463 238 1HD LYS 32 2HD LYS 32 53.501 36.268 59.355 239 2HD LYS 32 1HD LYS 32 53.235 37.215 60.841 240 1HE LYS 32 2HE LYS 32 53.276 34.695 61.362 241 2HE LYS 32 1HE LYS 32 51.663 35.464 61.747 242 1HZ LYS 32 3HZ LYS 32 51.892 34.558 59.096 243 2HZ LYS 32 2HZ LYS 32 51.803 33.329 60.237 244 3HZ LYS 32 1HZ LYS 32 50.604 34.489 60.136 245 H ILE 33 H ILE 33 50.345 41.416 58.988 246 HA ILE 33 HA ILE 33 50.388 40.699 56.106 247 HB ILE 33 HB ILE 33 47.749 41.761 56.763 248 1HG1 ILE 33 2HG1 ILE 33 47.014 39.787 58.304 249 2HG1 ILE 33 1HG1 ILE 33 48.742 39.659 58.778 250 1HG2 ILE 33 1HG2 ILE 33 48.906 39.596 55.293 251 2HG2 ILE 33 3HG2 ILE 33 47.825 38.769 56.449 252 3HG2 ILE 33 2HG2 ILE 33 47.185 40.069 55.356 253 1HD1 ILE 33 1HD1 ILE 33 47.426 42.455 58.674 254 2HD1 ILE 33 3HD1 ILE 33 46.819 41.306 59.929 255 3HD1 ILE 33 2HD1 ILE 33 48.614 41.773 59.864 256 H ALA 34 H ALA 34 51.266 42.998 58.259 257 HA ALA 34 HA ALA 34 50.100 45.304 56.660 258 1HB ALA 34 3HB ALA 34 50.165 45.091 59.443 259 2HB ALA 34 2HB ALA 34 51.801 45.741 59.129 260 3HB ALA 34 1HB ALA 34 50.391 46.660 58.549 261 H VAL 35 H VAL 35 51.993 43.511 55.562 262 HA VAL 35 HA VAL 35 54.686 44.286 55.721 263 HB VAL 35 HB VAL 35 53.018 43.712 53.207 264 1HG1 VAL 35 3HG1 VAL 35 56.047 43.641 53.867 265 2HG1 VAL 35 2HG1 VAL 35 55.404 42.981 52.291 266 3HG1 VAL 35 1HG1 VAL 35 55.289 44.741 52.705 267 1HG2 VAL 35 3HG2 VAL 35 54.261 41.983 55.333 268 2HG2 VAL 35 2HG2 VAL 35 52.669 41.852 54.395 269 3HG2 VAL 35 1HG2 VAL 35 54.219 41.409 53.572 270 H ARG 36 H ARG 36 52.086 45.445 53.867 271 HA ARG 36 HA ARG 36 53.128 48.251 53.748 272 1HB ARG 36 2HB ARG 36 53.774 47.624 51.390 273 2HB ARG 36 1HB ARG 36 52.261 46.542 51.319 274 1HG ARG 36 2HG ARG 36 51.774 48.283 49.947 275 2HG ARG 36 1HG ARG 36 50.963 48.829 51.453 276 1HD ARG 36 2HD ARG 36 52.276 50.725 50.677 277 2HD ARG 36 1HD ARG 36 53.204 50.017 52.039 278 HE ARG 36 HE ARG 36 54.923 49.396 50.514 279 1HH1 ARG 36 2HH2 ARG 36 51.904 49.871 48.584 280 2HH1 ARG 36 1HH2 ARG 36 52.834 49.600 47.076 281 1HH2 ARG 36 1HH1 ARG 36 55.916 49.064 48.434 282 2HH2 ARG 36 2HH1 ARG 36 54.885 49.185 47.020 283 H LEU 37 H LEU 37 51.955 49.721 53.623 284 HA LEU 37 HA LEU 37 49.064 49.244 54.230 285 1HB LEU 37 2HB LEU 37 51.289 51.364 54.583 286 2HB LEU 37 1HB LEU 37 49.602 51.975 54.289 287 HG LEU 37 HG LEU 37 48.982 49.979 55.881 288 1HD1 LEU 37 3HD1 LEU 37 51.840 50.561 56.669 289 2HD1 LEU 37 2HD1 LEU 37 50.624 50.042 57.920 290 3HD1 LEU 37 1HD1 LEU 37 50.974 48.955 56.515 291 1HD2 LEU 37 1HD2 LEU 37 48.423 52.480 56.292 292 2HD2 LEU 37 3HD2 LEU 37 48.988 51.668 57.839 293 3HD2 LEU 37 2HD2 LEU 37 50.117 52.738 56.914 294 H THR 38 H THR 38 48.256 48.569 52.603 295 HA THR 38 HA THR 38 48.275 48.285 50.214 296 HB THR 38 HB THR 38 46.143 49.559 51.847 297 HG1 THR 38 1HG THR 38 45.076 47.949 50.384 298 1HG2 THR 38 3HG2 THR 38 46.313 49.918 48.760 299 2HG2 THR 38 2HG2 THR 38 44.665 49.677 49.465 300 3HG2 THR 38 1HG2 THR 38 45.694 51.061 50.012 301 H GLN 39 H GLN 39 48.116 51.748 51.183 302 HA GLN 39 HA GLN 39 49.771 52.123 48.737 303 1HB GLN 39 2HB GLN 39 48.210 53.026 47.495 304 2HB GLN 39 1HB GLN 39 47.084 52.155 48.593 305 1HG GLN 39 2HG GLN 39 47.530 54.509 50.083 306 2HG GLN 39 1HG GLN 39 47.661 55.181 48.403 307 1HE2 GLN 39 2HE2 GLN 39 44.260 54.991 47.779 308 2HE2 GLN 39 1HE2 GLN 39 45.881 55.558 47.384 309 H THR 40 H THR 40 49.479 54.512 48.267 310 HA THR 40 HA THR 40 51.550 55.998 49.231 311 HB THR 40 HB THR 40 48.803 56.788 48.178 312 HG1 THR 40 1HG THR 40 50.197 55.725 46.697 313 1HG2 THR 40 2HG2 THR 40 51.349 58.622 48.426 314 2HG2 THR 40 1HG2 THR 40 49.785 59.039 47.583 315 3HG2 THR 40 3HG2 THR 40 49.774 58.805 49.340 316 H LYS 41 H LYS 41 51.978 57.582 50.288 317 HA LYS 41 HA LYS 41 50.143 58.238 52.651 318 1HB LYS 41 2HB LYS 41 52.333 57.550 53.540 319 2HB LYS 41 1HB LYS 41 53.124 58.050 52.000 320 1HG LYS 41 2HG LYS 41 51.994 60.180 53.936 321 2HG LYS 41 1HG LYS 41 53.593 59.364 54.236 322 1HD LYS 41 2HD LYS 41 53.915 59.937 51.582 323 2HD LYS 41 1HD LYS 41 52.668 61.175 51.936 324 1HE LYS 41 2HE LYS 41 55.251 60.905 53.627 325 2HE LYS 41 1HE LYS 41 55.023 62.019 52.155 326 1HZ LYS 41 2HZ LYS 41 52.943 62.620 53.705 327 2HZ LYS 41 1HZ LYS 41 54.026 62.232 54.931 328 3HZ LYS 41 3HZ LYS 41 54.383 63.397 53.809 329 H ILE 42 H ILE 42 49.764 60.648 52.901 330 HA ILE 42 HA ILE 42 50.868 62.166 50.483 331 HB ILE 42 HB ILE 42 47.996 62.644 51.651 332 1HG1 ILE 42 2HG1 ILE 42 47.816 61.603 49.081 333 2HG1 ILE 42 1HG1 ILE 42 49.047 60.532 49.836 334 1HG2 ILE 42 3HG2 ILE 42 49.536 63.683 49.221 335 2HG2 ILE 42 2HG2 ILE 42 47.745 63.574 49.247 336 3HG2 ILE 42 1HG2 ILE 42 48.569 64.492 50.511 337 1HD1 ILE 42 3HD1 ILE 42 46.635 61.207 51.592 338 2HD1 ILE 42 2HD1 ILE 42 46.238 60.173 50.175 339 3HD1 ILE 42 1HD1 ILE 42 47.511 59.649 51.356 340 H ILE 43 H ILE 43 50.802 64.399 50.557 341 HA ILE 43 HA ILE 43 51.207 65.492 53.346 342 HB ILE 43 HB ILE 43 53.136 64.713 51.750 343 1HG1 ILE 43 2HG1 ILE 43 52.765 67.267 53.415 344 2HG1 ILE 43 1HG1 ILE 43 53.624 65.696 53.880 345 1HG2 ILE 43 1HG2 ILE 43 52.338 66.277 49.879 346 2HG2 ILE 43 3HG2 ILE 43 52.759 67.716 50.972 347 3HG2 ILE 43 2HG2 ILE 43 54.058 66.598 50.329 348 1HD1 ILE 43 2HD1 ILE 43 55.329 66.493 52.000 349 2HD1 ILE 43 1HD1 ILE 43 54.332 68.060 52.067 350 3HD1 ILE 43 3HD1 ILE 43 55.350 67.572 53.447 351 H VAL 44 H VAL 44 50.520 67.477 53.614 352 HA VAL 44 HA VAL 44 49.576 69.056 51.156 353 HB VAL 44 HB VAL 44 47.926 68.478 53.629 354 1HG1 VAL 44 3HG1 VAL 44 47.596 70.293 51.230 355 2HG1 VAL 44 2HG1 VAL 44 46.118 69.473 51.821 356 3HG1 VAL 44 1HG1 VAL 44 47.070 70.512 52.974 357 1HG2 VAL 44 3HG2 VAL 44 48.072 66.552 51.602 358 2HG2 VAL 44 2HG2 VAL 44 46.532 66.971 52.472 359 3HG2 VAL 44 1HG2 VAL 44 46.881 67.658 50.830 360 H GLN 45 H GLN 45 50.510 71.002 51.509 361 HA GLN 45 HA GLN 45 50.395 72.100 54.284 362 1HB GLN 45 2HB GLN 45 52.467 72.402 52.033 363 2HB GLN 45 1HB GLN 45 52.368 73.528 53.498 364 1HG GLN 45 2HG GLN 45 52.431 71.322 54.875 365 2HG GLN 45 1HG GLN 45 53.101 70.610 53.242 366 1HE2 GLN 45 1HE2 GLN 45 56.244 71.993 53.818 367 2HE2 GLN 45 2HE2 GLN 45 55.141 70.789 52.919 368 H ASP 46 H ASP 46 48.953 73.434 54.552 369 HA ASP 46 HA ASP 46 48.340 75.207 52.275 370 1HB ASP 46 2HB ASP 46 46.503 73.964 53.255 371 2HB ASP 46 1HB ASP 46 46.801 74.682 54.934 372 H GLY 47 H GLY 47 50.628 75.405 53.964 373 1HA GLY 47 1HA GLY 47 51.809 77.570 54.279 374 2HA GLY 47 2HA GLY 47 50.287 78.265 54.988 375 H ASP 48 H ASP 48 50.342 78.626 56.924 376 HA ASP 48 HA ASP 48 52.505 77.704 58.646 377 1HB ASP 48 2HB ASP 48 50.685 79.642 58.948 378 2HB ASP 48 1HB ASP 48 49.703 78.285 59.870 379 H ASN 49 H ASN 49 49.489 76.435 57.886 380 HA ASN 49 HA ASN 49 49.442 74.117 59.812 381 1HB ASN 49 2HB ASN 49 47.460 75.437 57.862 382 2HB ASN 49 1HB ASN 49 47.261 73.694 58.512 383 1HD2 ASN 49 2HD2 ASN 49 45.305 75.290 60.872 384 2HD2 ASN 49 1HD2 ASN 49 45.483 74.183 59.334 385 H PHE 50 H PHE 50 50.632 72.537 59.200 386 HA PHE 50 HA PHE 50 50.446 71.584 56.386 387 1HB PHE 50 2HB PHE 50 52.691 72.201 56.649 388 2HB PHE 50 1HB PHE 50 52.727 71.691 58.406 389 HD1 PHE 50 HD2 PHE 50 51.299 69.613 55.690 390 HD2 PHE 50 HD1 PHE 50 54.576 70.248 58.441 391 HE1 PHE 50 HE2 PHE 50 52.085 67.374 55.177 392 HE2 PHE 50 HE1 PHE 50 55.377 67.921 57.887 393 HZ PHE 50 HZ PHE 50 54.184 66.555 56.325 394 H LYS 51 H LYS 51 49.162 69.966 56.132 395 HA LYS 51 HA LYS 51 49.197 68.055 58.385 396 1HB LYS 51 2HB LYS 51 46.724 68.386 56.563 397 2HB LYS 51 1HB LYS 51 46.856 67.691 58.247 398 1HG LYS 51 2HG LYS 51 46.348 69.821 59.091 399 2HG LYS 51 1HG LYS 51 47.650 70.603 58.093 400 1HD LYS 51 2HD LYS 51 46.072 70.252 56.136 401 2HD LYS 51 1HD LYS 51 44.844 69.613 57.342 402 1HE LYS 51 2HE LYS 51 45.011 71.756 58.587 403 2HE LYS 51 1HE LYS 51 46.110 72.426 57.241 404 1HZ LYS 51 2HZ LYS 51 43.348 71.361 56.708 405 2HZ LYS 51 1HZ LYS 51 43.515 72.898 57.243 406 3HZ LYS 51 3HZ LYS 51 44.296 72.461 55.829 407 H THR 52 H THR 52 50.332 66.417 57.799 408 HA THR 52 HA THR 52 50.098 65.385 55.037 409 HB THR 52 HB THR 52 51.795 64.914 57.461 410 HG1 THR 52 1HG THR 52 53.151 64.553 55.951 411 1HG2 THR 52 2HG2 THR 52 50.390 62.598 57.385 412 2HG2 THR 52 1HG2 THR 52 51.056 62.434 55.664 413 3HG2 THR 52 3HG2 THR 52 52.124 62.413 57.095 414 H LYS 53 H LYS 53 49.367 63.211 54.589 415 HA LYS 53 HA LYS 53 47.705 61.759 56.519 416 1HB LYS 53 2HB LYS 53 45.527 62.310 54.769 417 2HB LYS 53 1HB LYS 53 45.803 63.300 56.234 418 1HG LYS 53 2HG LYS 53 46.685 65.072 55.004 419 2HG LYS 53 1HG LYS 53 47.318 63.943 53.688 420 1HD LYS 53 2HD LYS 53 44.358 64.559 54.123 421 2HD LYS 53 1HD LYS 53 45.519 65.333 52.876 422 1HE LYS 53 2HE LYS 53 45.221 63.596 51.482 423 2HE LYS 53 1HE LYS 53 45.739 62.468 52.836 424 1HZ LYS 53 2HZ LYS 53 42.954 63.577 52.728 425 2HZ LYS 53 1HZ LYS 53 43.363 62.218 51.848 426 3HZ LYS 53 3HZ LYS 53 43.518 62.248 53.507 427 H THR 54 H THR 54 47.077 59.824 55.771 428 HA THR 54 HA THR 54 48.332 59.241 53.098 429 HB THR 54 HB THR 54 49.626 58.242 54.799 430 HG1 THR 54 1HG THR 54 49.384 56.041 54.109 431 1HG2 THR 54 2HG2 THR 54 46.972 56.786 55.687 432 2HG2 THR 54 1HG2 THR 54 48.663 56.415 56.299 433 3HG2 THR 54 3HG2 THR 54 47.861 57.986 56.678 434 H ASN 55 H ASN 55 47.479 57.211 51.910 435 HA ASN 55 HA ASN 55 44.458 57.305 52.333 436 1HB ASN 55 2HB ASN 55 45.551 58.276 50.229 437 2HB ASN 55 1HB ASN 55 45.607 56.500 49.647 438 1HD2 ASN 55 2HD2 ASN 55 42.094 58.594 50.206 439 2HD2 ASN 55 1HD2 ASN 55 43.759 59.307 50.683 440 H SER 56 H SER 56 47.119 55.503 52.654 441 HA SER 56 HA SER 56 47.100 52.858 52.293 442 1HB SER 56 2HB SER 56 47.828 52.529 54.495 443 2HB SER 56 1HB SER 56 48.370 54.221 54.014 444 HG SER 56 HG SER 56 45.956 53.925 55.426 445 H THR 57 H THR 57 45.474 51.398 51.990 446 HA THR 57 HA THR 57 42.775 51.764 52.766 447 HB THR 57 HB THR 57 43.954 50.007 51.228 448 HG1 THR 57 1HG THR 57 41.490 49.804 52.482 449 1HG2 THR 57 3HG2 THR 57 44.819 48.772 53.594 450 2HG2 THR 57 2HG2 THR 57 43.140 48.120 53.575 451 3HG2 THR 57 1HG2 THR 57 44.250 47.840 52.163 452 H PHE 58 H PHE 58 45.594 50.716 54.392 453 HA PHE 58 HA PHE 58 44.434 49.452 56.654 454 1HB PHE 58 2HB PHE 58 47.159 50.857 56.369 455 2HB PHE 58 1HB PHE 58 46.515 50.253 57.962 456 HD1 PHE 58 HD2 PHE 58 46.657 49.121 54.388 457 HD2 PHE 58 HD1 PHE 58 47.321 48.115 58.516 458 HE1 PHE 58 HE2 PHE 58 47.397 46.907 53.678 459 HE2 PHE 58 HE1 PHE 58 48.103 45.831 57.805 460 HZ PHE 58 HZ PHE 58 48.143 45.218 55.425 461 H ARG 59 H ARG 59 46.019 52.692 56.865 462 HA ARG 59 HA ARG 59 43.600 53.683 58.368 463 1HB ARG 59 2HB ARG 59 44.639 54.179 60.426 464 2HB ARG 59 1HB ARG 59 44.901 52.384 60.129 465 1HG ARG 59 2HG ARG 59 47.223 52.998 59.192 466 2HG ARG 59 1HG ARG 59 46.879 54.693 59.888 467 1HD ARG 59 2HD ARG 59 47.929 53.844 61.720 468 2HD ARG 59 1HD ARG 59 46.302 53.200 62.048 469 HE ARG 59 HE ARG 59 47.123 51.032 61.752 470 1HH1 ARG 59 2HH2 ARG 59 49.115 53.505 59.969 471 2HH1 ARG 59 1HH2 ARG 59 50.269 52.326 59.425 472 1HH2 ARG 59 1HH1 ARG 59 48.902 49.478 60.836 473 2HH2 ARG 59 2HH1 ARG 59 50.144 50.234 59.858 474 H ASN 60 H ASN 60 43.264 55.554 58.121 475 HA ASN 60 HA ASN 60 45.486 57.264 56.933 476 1HB ASN 60 2HB ASN 60 43.286 58.732 56.337 477 2HB ASN 60 1HB ASN 60 43.614 57.173 55.394 478 1HD2 ASN 60 1HD2 ASN 60 40.921 55.443 56.564 479 2HD2 ASN 60 2HD2 ASN 60 42.481 55.404 55.791 480 H TYR 61 H TYR 61 45.844 56.956 59.325 481 HA TYR 61 HA TYR 61 44.438 58.931 61.001 482 1HB TYR 61 2HB TYR 61 45.985 56.771 61.607 483 2HB TYR 61 1HB TYR 61 47.237 58.078 61.854 484 HD1 TYR 61 HD1 TYR 61 43.779 57.045 62.558 485 HD2 TYR 61 HD2 TYR 61 47.106 59.382 64.005 486 HE1 TYR 61 HE1 TYR 61 42.558 57.470 64.666 487 HE2 TYR 61 HE2 TYR 61 45.883 59.794 66.071 488 HH TYR 61 HH TYR 61 43.165 58.046 66.999 489 H ASP 62 H ASP 62 44.547 60.439 59.360 490 HA ASP 62 HA ASP 62 46.630 61.764 58.155 491 1HB ASP 62 2HB ASP 62 45.016 63.808 58.331 492 2HB ASP 62 1HB ASP 62 44.519 62.273 57.390 493 H LEU 63 H LEU 63 48.321 62.570 58.726 494 HA LEU 63 HA LEU 63 49.021 63.595 61.351 495 1HB LEU 63 2HB LEU 63 50.384 62.654 59.313 496 2HB LEU 63 1HB LEU 63 50.446 64.376 58.760 497 HG LEU 63 HG LEU 63 51.153 64.727 61.390 498 1HD1 LEU 63 3HD1 LEU 63 51.265 61.787 60.921 499 2HD1 LEU 63 2HD1 LEU 63 52.819 62.509 61.484 500 3HD1 LEU 63 1HD1 LEU 63 51.273 62.726 62.467 501 1HD2 LEU 63 1HD2 LEU 63 52.592 65.204 59.265 502 2HD2 LEU 63 3HD2 LEU 63 53.550 64.423 60.657 503 3HD2 LEU 63 2HD2 LEU 63 52.969 63.416 59.267 504 H ASP 64 H ASP 64 47.140 65.102 61.711 505 HA ASP 64 HA ASP 64 47.568 67.659 60.060 506 1HB ASP 64 2HB ASP 64 45.366 66.278 61.662 507 2HB ASP 64 1HB ASP 64 45.219 68.074 61.004 508 H PHE 65 H PHE 65 49.205 68.535 61.048 509 HA PHE 65 HA PHE 65 48.431 69.731 63.701 510 1HB PHE 65 2HB PHE 65 51.061 69.723 64.219 511 2HB PHE 65 1HB PHE 65 50.099 68.216 64.372 512 HD1 PHE 65 HD1 PHE 65 51.439 69.922 61.174 513 HD2 PHE 65 HD2 PHE 65 51.523 66.575 63.933 514 HE1 PHE 65 HE1 PHE 65 52.885 68.769 59.666 515 HE2 PHE 65 HE2 PHE 65 53.003 65.443 62.360 516 HZ PHE 65 HZ PHE 65 53.713 66.510 60.201 517 H THR 66 H THR 66 50.370 71.582 63.960 518 HA THR 66 HA THR 66 50.586 73.099 61.395 519 HB THR 66 HB THR 66 49.050 73.540 63.942 520 HG1 THR 66 1HG THR 66 48.114 73.331 61.970 521 1HG2 THR 66 3HG2 THR 66 51.026 75.484 63.780 522 2HG2 THR 66 2HG2 THR 66 50.193 75.971 62.285 523 3HG2 THR 66 1HG2 THR 66 49.352 76.141 63.879 524 H VAL 67 H VAL 67 52.266 74.653 61.536 525 HA VAL 67 HA VAL 67 54.649 73.625 62.933 526 HB VAL 67 HB VAL 67 54.141 76.340 61.525 527 1HG1 VAL 67 3HG1 VAL 67 56.615 74.607 62.303 528 2HG1 VAL 67 2HG1 VAL 67 56.646 75.892 61.012 529 3HG1 VAL 67 1HG1 VAL 67 56.201 76.371 62.730 530 1HG2 VAL 67 1HG2 VAL 67 53.633 74.028 60.262 531 2HG2 VAL 67 3HG2 VAL 67 54.644 75.324 59.548 532 3HG2 VAL 67 2HG2 VAL 67 55.415 73.810 60.285 533 H GLY 68 H GLY 68 55.935 74.319 64.262 534 1HA GLY 68 1HA GLY 68 56.315 74.807 66.517 535 2HA GLY 68 2HA GLY 68 56.052 76.532 65.830 536 H VAL 69 H VAL 69 53.380 74.180 66.246 537 HA VAL 69 HA VAL 69 52.194 76.223 68.021 538 HB VAL 69 HB VAL 69 51.459 73.826 66.341 539 1HG1 VAL 69 2HG1 VAL 69 50.626 72.922 68.522 540 2HG1 VAL 69 1HG1 VAL 69 49.689 74.444 68.724 541 3HG1 VAL 69 3HG1 VAL 69 49.323 73.312 67.347 542 1HG2 VAL 69 2HG2 VAL 69 50.980 76.233 65.675 543 2HG2 VAL 69 1HG2 VAL 69 49.561 75.164 65.621 544 3HG2 VAL 69 3HG2 VAL 69 49.661 76.303 66.986 545 H GLU 70 H GLU 70 53.966 73.328 67.983 546 HA GLU 70 HA GLU 70 54.569 71.880 69.725 547 1HB GLU 70 2HB GLU 70 53.760 74.313 71.284 548 2HB GLU 70 1HB GLU 70 53.905 72.677 72.156 549 1HG GLU 70 2HG GLU 70 55.981 73.942 72.357 550 2HG GLU 70 1HG GLU 70 56.140 72.439 71.226 551 H PHE 71 H PHE 71 53.424 70.274 69.083 552 HA PHE 71 HA PHE 71 50.544 70.157 69.864 553 1HB PHE 71 2HB PHE 71 52.022 68.863 67.902 554 2HB PHE 71 1HB PHE 71 51.434 67.509 69.002 555 HD1 PHE 71 HD1 PHE 71 50.181 70.627 67.386 556 HD2 PHE 71 HD2 PHE 71 49.289 66.645 68.568 557 HE1 PHE 71 HE1 PHE 71 48.021 70.810 66.353 558 HE2 PHE 71 HE2 PHE 71 47.061 66.781 67.520 559 HZ PHE 71 HZ PHE 71 46.359 68.883 66.374 560 H ASP 72 H ASP 72 50.753 70.429 72.112 561 HA ASP 72 HA ASP 72 52.139 68.613 73.811 562 1HB ASP 72 2HB ASP 72 50.840 70.875 74.309 563 2HB ASP 72 1HB ASP 72 49.349 69.817 74.447 564 H GLU 73 H GLU 73 51.961 66.659 73.012 565 HA GLU 73 HA GLU 73 51.213 64.430 72.877 566 1HB GLU 73 2HB GLU 73 50.350 63.798 74.829 567 2HB GLU 73 1HB GLU 73 50.271 65.506 75.339 568 1HG GLU 73 2HG GLU 73 48.040 65.508 73.969 569 2HG GLU 73 1HG GLU 73 48.101 63.617 74.162 570 H HIS 74 H HIS 74 49.824 63.077 72.325 571 HA HIS 74 HA HIS 74 47.325 62.877 71.519 572 1HB HIS 74 2HB HIS 74 48.603 64.923 69.652 573 2HB HIS 74 1HB HIS 74 47.553 63.607 68.941 574 HD1 HIS 74 HD1 HIS 74 46.827 64.702 72.505 575 HD2 HIS 74 HD2 HIS 74 45.422 65.367 68.570 576 HE1 HIS 74 HE1 HIS 74 44.561 65.852 72.714 577 HE2 HIS 74 HE2 HIS 74 43.705 66.251 70.311 578 H THR 75 H THR 75 48.373 60.972 71.988 579 HA THR 75 HA THR 75 49.200 59.395 69.572 580 HB THR 75 HB THR 75 50.271 57.974 71.631 581 HG1 THR 75 1HG THR 75 49.284 59.534 72.991 582 1HG2 THR 75 3HG2 THR 75 51.396 60.718 70.578 583 2HG2 THR 75 2HG2 THR 75 52.408 59.585 71.581 584 3HG2 THR 75 1HG2 THR 75 51.806 59.013 69.998 585 H LYS 76 H LYS 76 47.185 58.525 69.296 586 HA LYS 76 HA LYS 76 46.454 56.468 71.357 587 1HB LYS 76 2HB LYS 76 44.418 58.677 70.508 588 2HB LYS 76 1HB LYS 76 44.017 57.158 71.372 589 1HG LYS 76 2HG LYS 76 45.710 57.673 73.128 590 2HG LYS 76 1HG LYS 76 45.963 59.303 72.268 591 1HD LYS 76 2HD LYS 76 43.395 58.279 73.506 592 2HD LYS 76 1HD LYS 76 44.431 59.578 74.226 593 1HE LYS 76 2HE LYS 76 44.130 60.876 71.935 594 2HE LYS 76 1HE LYS 76 42.932 59.571 71.525 595 1HZ LYS 76 1HZ LYS 76 41.866 60.198 73.690 596 2HZ LYS 76 3HZ LYS 76 42.509 61.729 73.493 597 3HZ LYS 76 2HZ LYS 76 41.497 61.039 72.331 598 H GLY 77 H GLY 77 46.083 54.760 70.601 599 1HA GLY 77 1HA GLY 77 44.491 53.468 69.129 600 2HA GLY 77 2HA GLY 77 45.065 54.516 67.770 601 H LEU 78 H LEU 78 47.696 54.773 68.367 602 HA LEU 78 HA LEU 78 48.758 52.094 67.569 603 1HB LEU 78 2HB LEU 78 48.900 54.327 66.158 604 2HB LEU 78 1HB LEU 78 50.120 54.843 67.387 605 HG LEU 78 HG LEU 78 51.681 53.230 66.826 606 1HD1 LEU 78 3HD1 LEU 78 49.456 51.662 65.351 607 2HD1 LEU 78 2HD1 LEU 78 51.210 51.428 65.048 608 3HD1 LEU 78 1HD1 LEU 78 50.497 51.104 66.713 609 1HD2 LEU 78 1HD2 LEU 78 51.024 55.011 64.984 610 2HD2 LEU 78 3HD2 LEU 78 52.205 53.755 64.525 611 3HD2 LEU 78 2HD2 LEU 78 50.469 53.546 64.042 612 H ASP 79 H ASP 79 48.663 54.260 70.266 613 HA ASP 79 HA ASP 79 50.958 52.785 71.365 614 1HB ASP 79 2HB ASP 79 51.106 55.630 72.105 615 2HB ASP 79 1HB ASP 79 52.407 54.474 71.440 616 H GLY 80 H GLY 80 48.982 55.680 71.952 617 1HA GLY 80 1HA GLY 80 47.366 56.191 73.477 618 2HA GLY 80 2HA GLY 80 47.463 54.513 74.235 619 H ARG 81 H ARG 81 49.505 57.184 73.520 620 HA ARG 81 HA ARG 81 50.403 57.530 76.420 621 1HB ARG 81 2HB ARG 81 51.973 56.634 74.459 622 2HB ARG 81 1HB ARG 81 52.251 58.420 74.166 623 1HG ARG 81 2HG ARG 81 53.495 58.629 75.977 624 2HG ARG 81 1HG ARG 81 52.270 57.908 77.050 625 1HD ARG 81 2HD ARG 81 53.660 55.935 75.324 626 2HD ARG 81 1HD ARG 81 54.887 56.997 76.201 627 HE ARG 81 HE ARG 81 52.736 55.928 77.900 628 1HH1 ARG 81 1HH2 ARG 81 56.013 55.378 76.624 629 2HH1 ARG 81 2HH2 ARG 81 56.517 54.316 77.924 630 1HH2 ARG 81 2HH1 ARG 81 53.361 54.499 79.664 631 2HH2 ARG 81 1HH1 ARG 81 54.980 53.823 79.652 632 H ASN 82 H ASN 82 52.050 59.846 75.905 633 HA ASN 82 HA ASN 82 50.418 61.792 74.635 634 1HB ASN 82 2HB ASN 82 49.422 62.847 76.443 635 2HB ASN 82 1HB ASN 82 49.953 61.399 77.478 636 1HD2 ASN 82 2HD2 ASN 82 52.406 63.022 79.207 637 2HD2 ASN 82 1HD2 ASN 82 51.573 61.528 78.771 638 H VAL 83 H VAL 83 51.699 62.754 73.516 639 HA VAL 83 HA VAL 83 54.510 63.461 74.504 640 HB VAL 83 HB VAL 83 53.532 62.124 71.968 641 1HG1 VAL 83 1HG1 VAL 83 56.054 63.589 72.489 642 2HG1 VAL 83 3HG1 VAL 83 56.393 61.874 71.970 643 3HG1 VAL 83 2HG1 VAL 83 55.402 63.003 70.912 644 1HG2 VAL 83 3HG2 VAL 83 53.675 60.594 73.952 645 2HG2 VAL 83 2HG2 VAL 83 54.941 60.118 72.708 646 3HG2 VAL 83 1HG2 VAL 83 55.428 61.068 74.136 647 H LYS 84 H LYS 84 55.168 65.311 74.222 648 HA LYS 84 HA LYS 84 53.916 67.428 72.791 649 1HB LYS 84 2HB LYS 84 56.543 66.866 74.099 650 2HB LYS 84 1HB LYS 84 56.514 68.233 72.896 651 1HG LYS 84 2HG LYS 84 54.658 69.329 73.991 652 2HG LYS 84 1HG LYS 84 54.289 67.786 74.959 653 1HD LYS 84 2HD LYS 84 57.056 69.116 75.155 654 2HD LYS 84 1HD LYS 84 55.672 69.914 76.016 655 1HE LYS 84 2HE LYS 84 55.251 67.158 76.608 656 2HE LYS 84 1HE LYS 84 57.059 67.399 76.754 657 1HZ LYS 84 1HZ LYS 84 55.068 69.156 78.116 658 2HZ LYS 84 3HZ LYS 84 55.830 67.889 78.805 659 3HZ LYS 84 2HZ LYS 84 56.733 69.193 78.279 660 H THR 85 H THR 85 53.428 66.628 70.785 661 HA THR 85 HA THR 85 55.579 65.821 68.934 662 HB THR 85 HB THR 85 52.562 66.003 69.054 663 HG1 THR 85 1HG THR 85 54.130 63.829 68.657 664 1HG2 THR 85 2HG2 THR 85 54.566 65.066 66.850 665 2HG2 THR 85 1HG2 THR 85 52.887 64.450 66.843 666 3HG2 THR 85 3HG2 THR 85 53.173 66.235 66.543 667 H LEU 86 H LEU 86 56.558 67.752 69.431 668 HA LEU 86 HA LEU 86 55.783 70.260 68.410 669 1HB LEU 86 2HB LEU 86 57.742 69.888 69.959 670 2HB LEU 86 1HB LEU 86 58.591 69.033 68.569 671 HG LEU 86 HG LEU 86 57.939 71.713 67.654 672 1HD1 LEU 86 1HD1 LEU 86 57.899 72.083 70.197 673 2HD1 LEU 86 3HD1 LEU 86 59.684 71.581 70.113 674 3HD1 LEU 86 2HD1 LEU 86 59.124 73.066 69.296 675 1HD2 LEU 86 1HD2 LEU 86 60.424 70.055 68.489 676 2HD2 LEU 86 3HD2 LEU 86 59.858 70.341 66.825 677 3HD2 LEU 86 2HD2 LEU 86 60.549 71.745 67.713 678 H VAL 87 H VAL 87 56.285 71.417 66.661 679 HA VAL 87 HA VAL 87 57.326 70.120 64.199 680 HB VAL 87 HB VAL 87 54.793 71.956 64.451 681 1HG1 VAL 87 1HG1 VAL 87 56.222 72.282 62.381 682 2HG1 VAL 87 3HG1 VAL 87 55.853 70.547 61.934 683 3HG1 VAL 87 2HG1 VAL 87 54.545 71.799 62.100 684 1HG2 VAL 87 1HG2 VAL 87 55.158 68.940 63.938 685 2HG2 VAL 87 3HG2 VAL 87 54.258 69.710 65.260 686 3HG2 VAL 87 2HG2 VAL 87 53.590 69.818 63.594 687 H THR 88 H THR 88 58.710 71.272 63.096 688 HA THR 88 HA THR 88 59.065 74.195 63.731 689 HB THR 88 HB THR 88 61.086 71.813 63.848 690 HG1 THR 88 1HG THR 88 60.753 72.900 66.191 691 1HG2 THR 88 2HG2 THR 88 61.385 74.853 64.257 692 2HG2 THR 88 1HG2 THR 88 62.249 73.738 65.385 693 3HG2 THR 88 3HG2 THR 88 62.591 73.612 63.619 694 H TRP 89 H TRP 89 61.514 74.176 62.105 695 HA TRP 89 HA TRP 89 61.020 72.935 59.424 696 1HB TRP 89 2HB TRP 89 60.692 75.878 60.282 697 2HB TRP 89 1HB TRP 89 61.483 75.550 58.695 698 HD1 TRP 89 HD1 TRP 89 58.200 76.154 59.963 699 HE1 TRP 89 HE1 TRP 89 56.470 74.888 58.512 700 HE3 TRP 89 HE3 TRP 89 61.395 73.187 57.572 701 HZ2 TRP 89 HZ2 TRP 89 56.606 72.698 56.504 702 HZ3 TRP 89 HZ3 TRP 89 60.731 71.551 55.963 703 HH2 TRP 89 HH2 TRP 89 58.409 71.316 55.498 704 H GLU 90 H GLU 90 63.091 72.667 58.378 705 HA GLU 90 HA GLU 90 65.276 73.811 60.042 706 1HB GLU 90 2HB GLU 90 64.602 71.212 59.456 707 2HB GLU 90 1HB GLU 90 65.743 71.554 58.098 708 1HG GLU 90 2HG GLU 90 66.141 71.602 61.198 709 2HG GLU 90 1HG GLU 90 66.941 70.510 59.958 710 H GLY 91 H GLY 91 67.126 72.868 57.796 711 1HA GLY 91 1HA GLY 91 67.040 75.387 56.340 712 2HA GLY 91 2HA GLY 91 68.214 73.959 56.026 713 H ASN 92 H ASN 92 66.143 72.198 56.290 714 HA ASN 92 HA ASN 92 64.073 72.562 54.236 715 1HB ASN 92 2HB ASN 92 65.421 70.330 52.999 716 2HB ASN 92 1HB ASN 92 65.121 72.033 52.343 717 1HD2 ASN 92 2HD2 ASN 92 68.711 70.743 53.880 718 2HD2 ASN 92 1HD2 ASN 92 67.189 69.878 54.144 719 H THR 93 H THR 93 63.232 72.099 56.279 720 HA THR 93 HA THR 93 61.757 69.805 56.147 721 HB THR 93 HB THR 93 63.079 68.159 56.308 722 HG1 THR 93 1HG THR 93 63.004 68.499 59.054 723 1HG2 THR 93 2HG2 THR 93 65.287 69.518 57.027 724 2HG2 THR 93 1HG2 THR 93 64.650 69.375 58.748 725 3HG2 THR 93 3HG2 THR 93 65.168 67.906 57.830 726 H LEU 94 H LEU 94 60.273 69.672 57.401 727 HA LEU 94 HA LEU 94 59.512 71.608 59.276 728 1HB LEU 94 2HB LEU 94 57.466 70.272 59.454 729 2HB LEU 94 1HB LEU 94 58.109 70.157 57.730 730 HG LEU 94 HG LEU 94 59.479 68.211 59.279 731 1HD1 LEU 94 2HD1 LEU 94 56.399 68.379 59.550 732 2HD1 LEU 94 1HD1 LEU 94 57.065 66.742 59.337 733 3HD1 LEU 94 3HD1 LEU 94 57.528 67.751 60.835 734 1HD2 LEU 94 2HD2 LEU 94 58.647 68.412 56.741 735 2HD2 LEU 94 1HD2 LEU 94 59.244 66.920 57.572 736 3HD2 LEU 94 3HD2 LEU 94 57.451 67.140 57.390 737 H VAL 95 H VAL 95 61.792 69.542 60.137 738 HA VAL 95 HA VAL 95 62.039 67.990 61.862 739 HB VAL 95 HB VAL 95 62.122 70.977 62.423 740 1HG1 VAL 95 2HG1 VAL 95 62.964 68.864 64.433 741 2HG1 VAL 95 1HG1 VAL 95 64.068 70.263 64.211 742 3HG1 VAL 95 3HG1 VAL 95 62.349 70.590 64.624 743 1HG2 VAL 95 2HG2 VAL 95 63.767 69.260 60.844 744 2HG2 VAL 95 1HG2 VAL 95 64.151 70.976 61.409 745 3HG2 VAL 95 3HG2 VAL 95 64.730 69.494 62.341 746 H CYS 96 H CYS 96 60.880 66.847 63.101 747 HA CYS 96 HA CYS 96 59.344 68.135 65.339 748 1HB CYS 96 2HB CYS 96 57.515 66.301 65.076 749 2HB CYS 96 1HB CYS 96 57.565 67.513 63.778 750 HG CYS 96 HG CYS 96 58.904 64.480 63.929 751 H VAL 97 H VAL 97 59.355 67.239 67.172 752 HA VAL 97 HA VAL 97 60.826 64.704 67.549 753 HB VAL 97 HB VAL 97 61.322 66.991 69.474 754 1HG1 VAL 97 2HG1 VAL 97 62.426 64.663 69.719 755 2HG1 VAL 97 1HG1 VAL 97 63.138 64.877 68.044 756 3HG1 VAL 97 3HG1 VAL 97 63.655 65.929 69.397 757 1HG2 VAL 97 2HG2 VAL 97 62.549 66.811 66.681 758 2HG2 VAL 97 1HG2 VAL 97 61.455 68.134 67.349 759 3HG2 VAL 97 3HG2 VAL 97 63.076 67.896 68.073 760 H GLN 98 H GLN 98 58.833 63.870 67.930 761 HA GLN 98 HA GLN 98 56.838 64.438 69.872 762 1HB GLN 98 2HB GLN 98 58.126 61.793 68.960 763 2HB GLN 98 1HB GLN 98 56.552 61.820 69.946 764 1HG GLN 98 2HG GLN 98 55.964 63.627 67.933 765 2HG GLN 98 1HG GLN 98 57.036 62.459 67.072 766 1HE2 GLN 98 1HE2 GLN 98 53.819 61.060 66.442 767 2HE2 GLN 98 2HE2 GLN 98 55.032 62.240 65.934 768 H LYS 99 H LYS 99 57.612 65.360 71.515 769 HA LYS 99 HA LYS 99 59.617 63.872 73.190 770 1HB LYS 99 2HB LYS 99 58.729 66.610 72.964 771 2HB LYS 99 1HB LYS 99 58.415 66.086 74.633 772 1HG LYS 99 2HG LYS 99 61.126 65.545 73.237 773 2HG LYS 99 1HG LYS 99 60.821 67.148 73.960 774 1HD LYS 99 2HD LYS 99 60.096 64.729 75.628 775 2HD LYS 99 1HD LYS 99 61.878 64.856 75.251 776 1HE LYS 99 2HE LYS 99 61.128 67.502 76.023 777 2HE LYS 99 1HE LYS 99 60.064 66.460 77.028 778 1HZ LYS 99 1HZ LYS 99 62.975 65.861 76.859 779 2HZ LYS 99 3HZ LYS 99 62.439 67.080 77.828 780 3HZ LYS 99 2HZ LYS 99 61.907 65.513 78.089 781 H GLY 100 H GLY 100 58.927 62.228 74.107 782 1HA GLY 100 1HA GLY 100 56.287 62.374 75.607 783 2HA GLY 100 2HA GLY 100 57.103 60.823 75.102 784 H GLU 101 H GLU 101 58.910 60.206 75.891 785 HA GLU 101 HA GLU 101 60.280 61.282 78.218 786 1HB GLU 101 2HB GLU 101 58.354 60.738 79.610 787 2HB GLU 101 1HB GLU 101 57.874 59.381 78.491 788 1HG GLU 101 2HG GLU 101 59.653 57.975 79.454 789 2HG GLU 101 1HG GLU 101 60.345 59.416 80.404 790 H LYS 102 H LYS 102 59.011 58.273 77.010 791 HA LYS 102 HA LYS 102 61.617 56.828 77.394 792 1HB LYS 102 2HB LYS 102 59.445 55.740 77.979 793 2HB LYS 102 1HB LYS 102 58.946 55.810 76.210 794 1HG LYS 102 2HG LYS 102 61.677 54.608 76.876 795 2HG LYS 102 1HG LYS 102 60.175 53.656 77.290 796 1HD LYS 102 2HD LYS 102 59.387 54.297 74.897 797 2HD LYS 102 1HD LYS 102 61.145 54.651 74.579 798 1HE LYS 102 2HE LYS 102 61.769 52.268 75.166 799 2HE LYS 102 1HE LYS 102 60.075 52.030 75.749 800 1HZ LYS 102 3HZ LYS 102 59.561 52.520 73.237 801 2HZ LYS 102 2HZ LYS 102 61.216 52.432 73.049 802 3HZ LYS 102 1HZ LYS 102 60.407 51.097 73.593 803 H GLU 103 H GLU 103 59.341 57.418 74.800 804 HA GLU 103 HA GLU 103 61.387 56.689 72.756 805 1HB GLU 103 2HB GLU 103 59.386 56.682 71.233 806 2HB GLU 103 1HB GLU 103 59.058 55.649 72.675 807 1HG GLU 103 2HG GLU 103 58.295 58.298 73.381 808 2HG GLU 103 1HG GLU 103 57.461 57.838 71.773 809 H ASN 104 H ASN 104 61.463 57.551 70.920 810 HA ASN 104 HA ASN 104 61.121 60.515 70.730 811 1HB ASN 104 2HB ASN 104 63.277 58.428 70.035 812 2HB ASN 104 1HB ASN 104 63.161 59.922 68.943 813 1HD2 ASN 104 2HD2 ASN 104 64.095 60.312 72.943 814 2HD2 ASN 104 1HD2 ASN 104 63.042 58.905 72.242 815 H ARG 105 H ARG 105 59.068 60.131 69.895 816 HA ARG 105 HA ARG 105 58.690 58.298 67.660 817 1HB ARG 105 2HB ARG 105 56.779 59.863 69.414 818 2HB ARG 105 1HB ARG 105 56.258 59.448 67.744 819 1HG ARG 105 2HG ARG 105 57.752 57.495 69.551 820 2HG ARG 105 1HG ARG 105 55.949 57.592 69.683 821 1HD ARG 105 2HD ARG 105 57.678 56.749 67.252 822 2HD ARG 105 1HD ARG 105 56.502 55.712 68.151 823 HE ARG 105 HE ARG 105 55.878 56.739 65.907 824 1HH1 ARG 105 2HH2 ARG 105 54.579 58.552 68.973 825 2HH1 ARG 105 1HH2 ARG 105 53.286 59.116 68.006 826 1HH2 ARG 105 1HH1 ARG 105 54.185 57.572 65.015 827 2HH2 ARG 105 2HH1 ARG 105 53.024 58.626 65.880 828 H GLY 106 H GLY 106 60.192 60.996 67.580 829 1HA GLY 106 1HA GLY 106 59.080 62.782 65.657 830 2HA GLY 106 2HA GLY 106 60.778 62.312 65.688 831 H TRP 107 H TRP 107 58.445 62.585 63.768 832 HA TRP 107 HA TRP 107 59.074 60.203 62.013 833 1HB TRP 107 2HB TRP 107 56.813 60.209 61.146 834 2HB TRP 107 1HB TRP 107 56.646 60.492 62.928 835 HD1 TRP 107 HD1 TRP 107 56.403 62.400 59.501 836 HE1 TRP 107 HE1 TRP 107 55.564 64.766 59.766 837 HE3 TRP 107 HE3 TRP 107 56.504 62.389 64.445 838 HZ2 TRP 107 HZ2 TRP 107 55.089 66.291 61.916 839 HZ3 TRP 107 HZ3 TRP 107 55.833 64.386 65.631 840 HH2 TRP 107 HH2 TRP 107 55.114 66.357 64.341 841 H LYS 108 H LYS 108 59.930 63.025 62.337 842 HA LYS 108 HA LYS 108 59.584 64.840 60.438 843 1HB LYS 108 2HB LYS 108 62.219 65.121 60.304 844 2HB LYS 108 1HB LYS 108 61.452 65.204 61.984 845 1HG LYS 108 2HG LYS 108 61.863 62.707 62.207 846 2HG LYS 108 1HG LYS 108 62.918 62.881 60.702 847 1HD LYS 108 2HD LYS 108 64.490 63.156 62.518 848 2HD LYS 108 1HD LYS 108 64.017 64.855 62.082 849 1HE LYS 108 2HE LYS 108 63.031 65.195 64.081 850 2HE LYS 108 1HE LYS 108 62.117 63.572 63.963 851 1HZ LYS 108 2HZ LYS 108 65.000 63.724 64.688 852 2HZ LYS 108 1HZ LYS 108 63.859 64.040 65.794 853 3HZ LYS 108 3HZ LYS 108 63.842 62.522 65.083 854 H GLN 109 H GLN 109 60.155 65.493 58.600 855 HA GLN 109 HA GLN 109 61.161 63.285 56.688 856 1HB GLN 109 2HB GLN 109 59.803 65.420 55.223 857 2HB GLN 109 1HB GLN 109 59.409 63.625 55.213 858 1HG GLN 109 2HG GLN 109 58.400 65.228 57.647 859 2HG GLN 109 1HG GLN 109 57.801 65.744 55.981 860 1HE2 GLN 109 2HE2 GLN 109 56.901 62.123 57.550 861 2HE2 GLN 109 1HE2 GLN 109 58.218 63.322 58.256 862 H TRP 110 H TRP 110 62.511 63.887 54.945 863 HA TRP 110 HA TRP 110 63.102 66.837 54.932 864 1HB TRP 110 2HB TRP 110 65.576 66.197 55.216 865 2HB TRP 110 1HB TRP 110 64.483 66.443 56.646 866 HD1 TRP 110 HD1 TRP 110 64.961 63.223 54.405 867 HE1 TRP 110 HE1 TRP 110 65.434 61.277 56.117 868 HE3 TRP 110 HE3 TRP 110 64.933 65.976 58.433 869 HZ2 TRP 110 HZ2 TRP 110 65.750 61.158 58.909 870 HZ3 TRP 110 HZ3 TRP 110 65.328 65.007 60.715 871 HH2 TRP 110 HH2 TRP 110 65.712 62.666 60.862 872 H VAL 111 H VAL 111 62.225 66.787 53.010 873 HA VAL 111 HA VAL 111 62.347 65.571 50.654 874 HB VAL 111 HB VAL 111 63.224 68.428 51.368 875 1HG1 VAL 111 3HG1 VAL 111 63.040 67.188 48.587 876 2HG1 VAL 111 2HG1 VAL 111 62.315 68.810 48.794 877 3HG1 VAL 111 1HG1 VAL 111 64.094 68.515 49.202 878 1HG2 VAL 111 2HG2 VAL 111 60.804 67.629 51.795 879 2HG2 VAL 111 1HG2 VAL 111 60.853 69.100 50.724 880 3HG2 VAL 111 3HG2 VAL 111 60.647 67.450 50.009 881 H GLU 112 H GLU 112 63.667 64.179 49.997 882 HA GLU 112 HA GLU 112 66.375 65.247 49.273 883 1HB GLU 112 2HB GLU 112 65.587 62.788 50.807 884 2HB GLU 112 1HB GLU 112 67.107 62.757 49.797 885 1HG GLU 112 2HG GLU 112 66.626 65.217 51.473 886 2HG GLU 112 1HG GLU 112 67.063 63.559 52.333 887 H GLY 113 H GLY 113 67.430 64.238 47.573 888 1HA GLY 113 1HA GLY 113 67.582 63.440 45.420 889 2HA GLY 113 2HA GLY 113 66.704 61.959 46.037 890 H ASP 114 H ASP 114 64.635 61.706 45.825 891 HA ASP 114 HA ASP 114 63.059 63.608 44.172 892 1HB ASP 114 2HB ASP 114 64.108 60.811 43.431 893 2HB ASP 114 1HB ASP 114 62.514 61.364 42.678 894 H LYS 115 H LYS 115 62.897 62.621 46.897 895 HA LYS 115 HA LYS 115 60.006 61.871 46.950 896 1HB LYS 115 2HB LYS 115 60.270 59.766 48.046 897 2HB LYS 115 1HB LYS 115 61.505 59.710 46.704 898 1HG LYS 115 2HG LYS 115 63.094 60.843 48.626 899 2HG LYS 115 1HG LYS 115 61.893 59.952 49.669 900 1HD LYS 115 2HD LYS 115 62.669 57.842 48.746 901 2HD LYS 115 1HD LYS 115 63.096 58.638 47.150 902 1HE LYS 115 2HE LYS 115 64.497 59.729 49.556 903 2HE LYS 115 1HE LYS 115 64.805 57.972 49.338 904 1HZ LYS 115 2HZ LYS 115 65.301 58.820 46.831 905 2HZ LYS 115 1HZ LYS 115 65.561 60.247 47.667 906 3HZ LYS 115 3HZ LYS 115 66.474 58.872 47.984 907 H LEU 116 H LEU 116 59.712 61.073 49.449 908 HA LEU 116 HA LEU 116 61.007 63.360 50.961 909 1HB LEU 116 2HB LEU 116 58.683 63.842 50.197 910 2HB LEU 116 1HB LEU 116 58.069 62.413 51.166 911 HG LEU 116 HG LEU 116 58.876 63.377 53.265 912 1HD1 LEU 116 3HD1 LEU 116 60.189 65.215 51.295 913 2HD1 LEU 116 2HD1 LEU 116 59.491 66.105 52.727 914 3HD1 LEU 116 1HD1 LEU 116 60.714 64.791 52.954 915 1HD2 LEU 116 3HD2 LEU 116 56.637 64.113 51.790 916 2HD2 LEU 116 2HD2 LEU 116 56.931 64.660 53.489 917 3HD2 LEU 116 1HD2 LEU 116 57.330 65.722 52.026 918 H TYR 117 H TYR 117 62.407 62.127 51.692 919 HA TYR 117 HA TYR 117 62.189 59.635 52.818 920 1HB TYR 117 2HB TYR 117 63.989 62.051 53.042 921 2HB TYR 117 1HB TYR 117 64.000 61.116 54.561 922 HD1 TYR 117 HD2 TYR 117 63.455 58.254 53.127 923 HD2 TYR 117 HD1 TYR 117 66.268 61.446 52.308 924 HE1 TYR 117 HE2 TYR 117 64.978 56.697 52.023 925 HE2 TYR 117 HE1 TYR 117 67.780 59.848 51.221 926 HH TYR 117 HH TYR 117 68.079 57.157 51.508 927 H LEU 118 H LEU 118 60.611 58.945 53.987 928 HA LEU 118 HA LEU 118 59.954 60.489 56.480 929 1HB LEU 118 2HB LEU 118 58.751 58.495 54.720 930 2HB LEU 118 1HB LEU 118 58.963 57.634 56.323 931 HG LEU 118 HG LEU 118 56.733 58.526 56.292 932 1HD1 LEU 118 3HD1 LEU 118 58.773 60.063 58.000 933 2HD1 LEU 118 2HD1 LEU 118 56.985 60.016 58.387 934 3HD1 LEU 118 1HD1 LEU 118 57.995 58.511 58.377 935 1HD2 LEU 118 2HD2 LEU 118 57.250 60.453 54.592 936 2HD2 LEU 118 1HD2 LEU 118 56.211 60.987 56.005 937 3HD2 LEU 118 3HD2 LEU 118 57.961 61.327 56.011 938 H GLU 119 H GLU 119 61.166 60.386 58.327 939 HA GLU 119 HA GLU 119 62.575 57.757 58.757 940 1HB GLU 119 2HB GLU 119 63.876 60.539 58.464 941 2HB GLU 119 1HB GLU 119 64.449 59.410 59.722 942 1HG GLU 119 2HG GLU 119 64.583 57.541 57.826 943 2HG GLU 119 1HG GLU 119 64.402 58.947 56.695 944 H LEU 120 H LEU 120 60.993 57.266 60.029 945 HA LEU 120 HA LEU 120 60.722 59.190 62.295 946 1HB LEU 120 2HB LEU 120 58.646 58.432 62.741 947 2HB LEU 120 1HB LEU 120 58.801 58.027 60.977 948 HG LEU 120 HG LEU 120 59.792 55.707 62.292 949 1HD1 LEU 120 2HD1 LEU 120 57.148 56.715 63.440 950 2HD1 LEU 120 1HD1 LEU 120 57.731 54.954 63.580 951 3HD1 LEU 120 3HD1 LEU 120 58.525 56.328 64.492 952 1HD2 LEU 120 1HD2 LEU 120 57.189 56.354 60.867 953 2HD2 LEU 120 3HD2 LEU 120 58.651 55.445 60.283 954 3HD2 LEU 120 2HD2 LEU 120 57.518 54.684 61.446 955 H THR 121 H THR 121 61.015 58.616 64.324 956 HA THR 121 HA THR 121 62.737 56.206 64.903 957 HB THR 121 HB THR 121 62.689 59.091 66.035 958 HG1 THR 121 1HG THR 121 63.717 58.332 64.103 959 1HG2 THR 121 2HG2 THR 121 63.939 56.454 67.103 960 2HG2 THR 121 1HG2 THR 121 64.898 57.997 67.334 961 3HG2 THR 121 3HG2 THR 121 63.330 57.766 68.154 962 H CYS 122 H CYS 122 62.362 55.273 67.246 963 HA CYS 122 HA CYS 122 59.771 56.122 68.361 964 1HB CYS 122 2HB CYS 122 59.153 53.431 67.902 965 2HB CYS 122 1HB CYS 122 58.621 54.677 66.792 966 HG CYS 122 HG CYS 122 60.423 54.484 64.976 967 H GLY 123 H GLY 123 62.102 56.150 69.356 968 1HA GLY 123 1HA GLY 123 62.745 55.706 71.744 969 2HA GLY 123 2HA GLY 123 61.944 54.111 71.582 970 H ASP 124 H ASP 124 62.830 52.456 70.930 971 HA ASP 124 HA ASP 124 65.808 52.309 70.749 972 1HB ASP 124 2HB ASP 124 63.455 50.354 70.977 973 2HB ASP 124 1HB ASP 124 65.224 49.830 70.613 974 H GLN 125 H GLN 125 62.957 52.111 68.681 975 HA GLN 125 HA GLN 125 64.797 51.094 66.497 976 1HB GLN 125 2HB GLN 125 61.787 51.293 66.920 977 2HB GLN 125 1HB GLN 125 62.445 50.846 65.328 978 1HG GLN 125 2HG GLN 125 63.500 49.389 67.795 979 2HG GLN 125 1HG GLN 125 61.938 48.909 66.956 980 1HE2 GLN 125 2HE2 GLN 125 64.702 46.991 65.386 981 2HE2 GLN 125 1HE2 GLN 125 63.952 47.218 67.095 982 H VAL 126 H VAL 126 64.682 51.940 64.600 983 HA VAL 126 HA VAL 126 63.857 54.741 64.125 984 HB VAL 126 HB VAL 126 66.180 55.091 64.719 985 1HG1 VAL 126 3HG1 VAL 126 66.675 52.480 64.673 986 2HG1 VAL 126 2HG1 VAL 126 67.032 52.717 62.860 987 3HG1 VAL 126 1HG1 VAL 126 68.013 53.538 64.140 988 1HG2 VAL 126 2HG2 VAL 126 65.535 55.993 62.440 989 2HG2 VAL 126 1HG2 VAL 126 67.257 55.767 62.736 990 3HG2 VAL 126 3HG2 VAL 126 66.442 54.570 61.692 991 H CYS 127 H CYS 127 62.377 54.359 62.619 992 HA CYS 127 HA CYS 127 62.932 52.365 60.457 993 1HB CYS 127 2HB CYS 127 60.730 54.439 61.127 994 2HB CYS 127 1HB CYS 127 60.737 53.637 59.526 995 HG CYS 127 HG CYS 127 60.405 52.395 62.652 996 H ARG 128 H ARG 128 63.163 52.707 58.360 997 HA ARG 128 HA ARG 128 63.821 55.590 57.665 998 1HB ARG 128 2HB ARG 128 65.896 54.382 58.393 999 2HB ARG 128 1HB ARG 128 65.604 53.181 57.029 1000 1HG ARG 128 2HG ARG 128 65.507 55.224 55.431 1001 2HG ARG 128 1HG ARG 128 66.323 56.186 56.716 1002 1HD ARG 128 2HD ARG 128 67.507 53.495 56.303 1003 2HD ARG 128 1HD ARG 128 67.465 54.463 54.749 1004 HE ARG 128 HE ARG 128 68.461 56.188 56.747 1005 1HH1 ARG 128 2HH2 ARG 128 69.383 53.209 55.159 1006 2HH1 ARG 128 1HH2 ARG 128 71.122 53.455 55.264 1007 1HH2 ARG 128 1HH1 ARG 128 70.744 56.609 56.949 1008 2HH2 ARG 128 2HH1 ARG 128 71.884 55.443 56.304 1009 H GLN 129 H GLN 129 61.666 55.276 56.630 1010 HA GLN 129 HA GLN 129 61.456 53.308 54.476 1011 1HB GLN 129 2HB GLN 129 60.059 56.031 54.445 1012 2HB GLN 129 1HB GLN 129 59.453 54.433 53.853 1013 1HG GLN 129 2HG GLN 129 60.035 54.122 56.690 1014 2HG GLN 129 1HG GLN 129 58.942 55.617 56.460 1015 1HE2 GLN 129 2HE2 GLN 129 57.297 52.087 56.650 1016 2HE2 GLN 129 1HE2 GLN 129 58.687 52.765 57.503 1017 H VAL 130 H VAL 130 60.852 54.094 52.164 1018 HA VAL 130 HA VAL 130 62.855 56.090 51.147 1019 HB VAL 130 HB VAL 130 62.580 53.118 50.211 1020 1HG1 VAL 130 2HG1 VAL 130 63.420 55.535 48.769 1021 2HG1 VAL 130 1HG1 VAL 130 64.897 54.543 49.107 1022 3HG1 VAL 130 3HG1 VAL 130 63.508 53.802 48.250 1023 1HG2 VAL 130 3HG2 VAL 130 64.946 54.423 51.643 1024 2HG2 VAL 130 2HG2 VAL 130 63.982 52.984 52.121 1025 3HG2 VAL 130 1HG2 VAL 130 64.984 52.894 50.634 1026 H PHE 131 H PHE 131 61.072 57.147 50.850 1027 HA PHE 131 HA PHE 131 58.686 56.378 49.482 1028 1HB PHE 131 2HB PHE 131 60.107 58.931 50.426 1029 2HB PHE 131 1HB PHE 131 58.612 59.068 49.412 1030 HD1 PHE 131 HD1 PHE 131 59.469 56.385 52.068 1031 HD2 PHE 131 HD2 PHE 131 56.975 59.661 50.788 1032 HE1 PHE 131 HE1 PHE 131 57.929 55.942 53.957 1033 HE2 PHE 131 HE2 PHE 131 55.477 59.209 52.647 1034 HZ PHE 131 HZ PHE 131 56.007 57.301 54.235 1035 H LYS 132 H LYS 132 57.838 58.112 47.905 1036 HA LYS 132 HA LYS 132 59.643 58.938 45.728 1037 1HB LYS 132 2HB LYS 132 59.524 56.649 44.895 1038 2HB LYS 132 1HB LYS 132 58.029 56.318 45.826 1039 1HG LYS 132 2HG LYS 132 57.392 56.174 43.621 1040 2HG LYS 132 1HG LYS 132 56.878 57.901 43.867 1041 1HD LYS 132 2HD LYS 132 58.021 57.902 41.888 1042 2HD LYS 132 1HD LYS 132 59.411 58.405 43.033 1043 1HE LYS 132 2HE LYS 132 60.437 56.385 42.914 1044 2HE LYS 132 1HE LYS 132 58.958 55.477 42.340 1045 1HZ LYS 132 2HZ LYS 132 59.220 57.185 40.367 1046 2HZ LYS 132 1HZ LYS 132 60.833 57.136 40.784 1047 3HZ LYS 132 3HZ LYS 132 60.086 55.749 40.346 1048 H LYS 133 H LYS 133 58.831 60.663 45.297 1049 HA LYS 133 HA LYS 133 56.288 61.934 45.981 1050 1HB LYS 133 2HB LYS 133 57.038 63.606 44.346 1051 2HB LYS 133 1HB LYS 133 58.430 62.891 45.302 1052 1HG LYS 133 2HG LYS 133 57.900 62.945 42.344 1053 2HG LYS 133 1HG LYS 133 59.419 62.411 43.297 1054 1HD LYS 133 2HD LYS 133 58.606 60.091 43.359 1055 2HD LYS 133 1HD LYS 133 57.120 60.629 42.393 1056 1HE LYS 133 2HE LYS 133 59.515 61.762 41.318 1057 2HE LYS 133 1HE LYS 133 59.599 59.922 41.486 1058 1HZ LYS 133 3HZ LYS 133 57.030 60.766 40.478 1059 2HZ LYS 133 2HZ LYS 133 58.277 61.205 39.450 1060 3HZ LYS 133 1HZ LYS 133 58.117 59.635 39.897 1061 H LYS 134 H LYS 134 55.312 59.576 44.873 1062 HA LYS 134 HA LYS 134 53.496 58.995 43.674 1063 1HB LYS 134 2HB LYS 134 52.016 60.823 43.014 1064 2HB LYS 134 1HB LYS 134 53.299 61.869 43.661 1065 1HG LYS 134 2HG LYS 134 54.282 61.530 41.114 1066 2HG LYS 134 1HG LYS 134 52.483 61.370 40.812 1067 1HD LYS 134 2HD LYS 134 53.782 63.618 42.422 1068 2HD LYS 134 1HD LYS 134 53.386 63.660 40.642 1069 1HE LYS 134 2HE LYS 134 51.131 62.536 42.033 1070 2HE LYS 134 1HE LYS 134 51.525 64.236 42.693 1071 1HZ LYS 134 1HZ LYS 134 51.652 64.561 40.029 1072 2HZ LYS 134 3HZ LYS 134 50.450 63.437 40.125 1073 3HZ LYS 134 2HZ LYS 134 50.274 64.846 40.958 No H/Q in entry = 1073 Start of MODEL 23 1 1H MET 1 2H MET 1 58.421 78.467 49.293 2 2H MET 1 1H MET 1 59.877 79.284 49.357 3 3H MET 1 3H MET 1 58.654 79.934 48.491 4 HA MET 1 HA MET 1 58.643 78.111 46.842 5 1HB MET 1 2HB MET 1 61.224 79.704 47.472 6 2HB MET 1 1HB MET 1 61.145 78.583 46.054 7 1HG MET 1 2HG MET 1 58.715 79.915 45.698 8 2HG MET 1 1HG MET 1 59.658 81.200 46.367 9 1HE MET 1 3HE MET 1 59.126 78.352 43.742 10 2HE MET 1 2HE MET 1 60.363 78.489 42.624 11 3HE MET 1 1HE MET 1 60.793 77.833 44.289 12 H THR 2 H THR 2 61.357 78.081 49.110 13 HA THR 2 HA THR 2 62.194 75.325 48.436 14 HB THR 2 HB THR 2 62.592 76.616 51.213 15 HG1 THR 2 1HG THR 2 63.901 78.075 50.510 16 1HG2 THR 2 2HG2 THR 2 64.258 75.068 48.999 17 2HG2 THR 2 1HG2 THR 2 65.144 75.789 50.334 18 3HG2 THR 2 3HG2 THR 2 63.948 74.498 50.700 19 H LYS 3 H LYS 3 59.866 76.930 50.418 20 HA LYS 3 HA LYS 3 59.406 74.237 51.873 21 1HB LYS 3 2HB LYS 3 58.114 76.939 52.424 22 2HB LYS 3 1HB LYS 3 58.170 75.485 53.532 23 1HG LYS 3 2HG LYS 3 60.606 77.076 52.497 24 2HG LYS 3 1HG LYS 3 59.784 77.253 54.133 25 1HD LYS 3 2HD LYS 3 60.195 74.444 53.847 26 2HD LYS 3 1HD LYS 3 61.657 75.183 53.101 27 1HE LYS 3 2HE LYS 3 60.428 75.931 55.810 28 2HE LYS 3 1HE LYS 3 61.899 74.812 55.614 29 1HZ LYS 3 2HZ LYS 3 62.923 76.795 54.378 30 2HZ LYS 3 1HZ LYS 3 61.677 77.728 54.920 31 3HZ LYS 3 3HZ LYS 3 62.682 77.084 56.030 32 H ASP 4 H ASP 4 58.189 75.312 48.980 33 HA ASP 4 HA ASP 4 55.429 74.569 49.832 34 1HB ASP 4 2HB ASP 4 55.682 76.602 48.224 35 2HB ASP 4 1HB ASP 4 56.487 75.452 47.071 36 H GLN 5 H GLN 5 55.903 72.220 50.265 37 HA GLN 5 HA GLN 5 56.396 70.809 47.644 38 1HB GLN 5 2HB GLN 5 57.858 70.762 50.233 39 2HB GLN 5 1HB GLN 5 56.923 69.184 50.035 40 1HG GLN 5 2HG GLN 5 58.784 70.475 47.928 41 2HG GLN 5 1HG GLN 5 59.150 69.035 49.097 42 1HE2 GLN 5 1HE2 GLN 5 58.150 68.132 45.538 43 2HE2 GLN 5 2HE2 GLN 5 59.209 69.371 46.207 44 H ASN 6 H ASN 6 55.270 69.242 47.249 45 HA ASN 6 HA ASN 6 52.940 68.272 48.800 46 1HB ASN 6 2HB ASN 6 52.438 69.441 45.972 47 2HB ASN 6 1HB ASN 6 51.208 68.900 47.242 48 1HD2 ASN 6 2HD2 ASN 6 51.062 71.874 48.910 49 2HD2 ASN 6 1HD2 ASN 6 50.527 70.102 48.651 50 H GLY 7 H GLY 7 52.119 66.387 48.014 51 1HA GLY 7 1HA GLY 7 52.753 65.204 45.447 52 2HA GLY 7 2HA GLY 7 53.964 64.678 46.671 53 H THR 8 H THR 8 52.815 62.634 45.849 54 HA THR 8 HA THR 8 50.806 61.976 47.913 55 HB THR 8 HB THR 8 49.589 62.562 45.703 56 HG1 THR 8 1HG THR 8 49.525 60.070 47.053 57 1HG2 THR 8 3HG2 THR 8 51.566 60.560 44.694 58 2HG2 THR 8 2HG2 THR 8 49.991 59.741 44.666 59 3HG2 THR 8 1HG2 THR 8 50.224 61.302 43.753 60 H TRP 9 H TRP 9 53.492 61.652 47.313 61 HA TRP 9 HA TRP 9 54.701 59.437 46.448 62 1HB TRP 9 2HB TRP 9 55.403 59.682 49.295 63 2HB TRP 9 1HB TRP 9 56.515 59.693 47.858 64 HD1 TRP 9 HD1 TRP 9 53.817 62.010 49.436 65 HE1 TRP 9 HE1 TRP 9 54.472 64.464 49.563 66 HE3 TRP 9 HE3 TRP 9 58.115 61.362 47.351 67 HZ2 TRP 9 HZ2 TRP 9 56.738 65.815 48.751 68 HZ3 TRP 9 HZ3 TRP 9 59.654 63.332 46.965 69 HH2 TRP 9 HH2 TRP 9 58.930 65.450 47.646 70 H GLU 10 H GLU 10 54.589 57.356 46.392 71 HA GLU 10 HA GLU 10 52.409 56.023 47.706 72 1HB GLU 10 2HB GLU 10 54.763 54.736 46.183 73 2HB GLU 10 1HB GLU 10 53.057 54.119 46.509 74 1HG GLU 10 2HG GLU 10 52.730 56.759 45.386 75 2HG GLU 10 1HG GLU 10 54.138 55.988 44.496 76 H MET 11 H MET 11 55.414 56.788 48.924 77 HA MET 11 HA MET 11 56.782 55.813 50.677 78 1HB MET 11 2HB MET 11 54.462 56.367 51.735 79 2HB MET 11 1HB MET 11 53.856 54.737 51.166 80 1HG MET 11 2HG MET 11 54.719 53.641 52.998 81 2HG MET 11 1HG MET 11 56.209 54.599 52.942 82 1HE MET 11 3HE MET 11 53.291 53.688 54.781 83 2HE MET 11 2HE MET 11 52.752 54.974 55.847 84 3HE MET 11 1HE MET 11 52.193 54.966 54.113 85 H GLU 12 H GLU 12 56.475 54.710 48.230 86 HA GLU 12 HA GLU 12 55.886 52.297 47.401 87 1HB GLU 12 2HB GLU 12 57.451 54.078 46.259 88 2HB GLU 12 1HB GLU 12 58.801 53.323 47.167 89 1HG GLU 12 2HG GLU 12 57.671 51.041 46.178 90 2HG GLU 12 1HG GLU 12 56.980 52.290 44.956 91 H SER 13 H SER 13 58.777 52.794 49.644 92 HA SER 13 HA SER 13 58.783 49.785 49.875 93 1HB SER 13 2HB SER 13 60.749 51.162 48.707 94 2HB SER 13 1HB SER 13 61.117 51.624 50.455 95 HG SER 13 HG SER 13 60.600 48.979 49.998 96 H ASN 14 H ASN 14 60.811 49.927 51.883 97 HA ASN 14 HA ASN 14 60.619 51.422 54.032 98 1HB ASN 14 2HB ASN 14 58.088 50.995 54.534 99 2HB ASN 14 1HB ASN 14 58.321 49.293 53.911 100 1HD2 ASN 14 1HD2 ASN 14 60.074 50.515 57.470 101 2HD2 ASN 14 2HD2 ASN 14 59.939 51.547 55.912 102 H GLU 15 H GLU 15 61.851 50.739 55.596 103 HA GLU 15 HA GLU 15 62.871 47.952 55.033 104 1HB GLU 15 2HB GLU 15 63.698 50.239 57.010 105 2HB GLU 15 1HB GLU 15 64.686 48.748 56.874 106 1HG GLU 15 2HG GLU 15 63.872 50.129 54.288 107 2HG GLU 15 1HG GLU 15 65.353 50.750 55.221 108 H ASN 16 H ASN 16 62.276 49.796 58.157 109 HA ASN 16 HA ASN 16 61.336 47.224 59.276 110 1HB ASN 16 2HB ASN 16 63.005 48.633 60.572 111 2HB ASN 16 1HB ASN 16 61.767 50.026 60.563 112 1HD2 ASN 16 1HD2 ASN 16 60.801 48.719 63.700 113 2HD2 ASN 16 2HD2 ASN 16 61.629 50.097 62.712 114 H PHE 17 H PHE 17 59.468 47.158 60.627 115 HA PHE 17 HA PHE 17 57.489 49.352 60.250 116 1HB PHE 17 2HB PHE 17 57.284 47.685 58.253 117 2HB PHE 17 1HB PHE 17 56.832 46.409 59.458 118 HD1 PHE 17 HD1 PHE 17 55.884 49.788 58.218 119 HD2 PHE 17 HD2 PHE 17 54.681 46.238 60.198 120 HE1 PHE 17 HE1 PHE 17 53.532 50.580 58.182 121 HE2 PHE 17 HE2 PHE 17 52.327 46.962 60.187 122 HZ PHE 17 HZ PHE 17 51.661 49.131 59.197 123 H GLU 18 H GLU 18 57.989 46.075 61.305 124 HA GLU 18 HA GLU 18 55.956 46.091 63.476 125 1HB GLU 18 2HB GLU 18 58.208 44.293 62.361 126 2HB GLU 18 1HB GLU 18 58.154 44.376 64.161 127 1HG GLU 18 2HG GLU 18 56.278 43.270 64.431 128 2HG GLU 18 1HG GLU 18 55.483 43.965 62.886 129 H GLY 19 H GLY 19 59.454 46.519 63.473 130 1HA GLY 19 1HA GLY 19 59.560 46.697 66.383 131 2HA GLY 19 2HA GLY 19 60.844 47.341 65.304 132 H TYR 20 H TYR 20 58.530 49.008 63.904 133 HA TYR 20 HA TYR 20 58.954 51.300 65.784 134 1HB TYR 20 2HB TYR 20 59.010 51.695 63.332 135 2HB TYR 20 1HB TYR 20 57.558 50.666 63.061 136 HD1 TYR 20 HD1 TYR 20 57.642 53.346 65.673 137 HD2 TYR 20 HD2 TYR 20 56.355 51.979 61.831 138 HE1 TYR 20 HE1 TYR 20 56.023 55.214 65.509 139 HE2 TYR 20 HE2 TYR 20 54.772 53.801 61.621 140 HH TYR 20 HH TYR 20 53.532 55.246 63.188 141 H MET 21 H MET 21 56.379 49.204 64.602 142 HA MET 21 HA MET 21 54.232 50.399 66.180 143 1HB MET 21 2HB MET 21 54.752 47.706 64.672 144 2HB MET 21 1HB MET 21 53.425 47.908 65.821 145 1HG MET 21 2HG MET 21 52.894 50.114 64.427 146 2HG MET 21 1HG MET 21 54.010 49.541 63.187 147 1HE MET 21 2HE MET 21 51.731 50.214 62.162 148 2HE MET 21 1HE MET 21 50.820 48.874 61.329 149 3HE MET 21 3HE MET 21 50.252 49.652 62.840 150 H LYS 22 H LYS 22 56.627 47.941 66.737 151 HA LYS 22 HA LYS 22 55.429 46.995 69.215 152 1HB LYS 22 2HB LYS 22 58.145 46.460 67.733 153 2HB LYS 22 1HB LYS 22 57.913 45.971 69.436 154 1HG LYS 22 2HG LYS 22 55.814 44.797 68.825 155 2HG LYS 22 1HG LYS 22 56.083 45.247 67.065 156 1HD LYS 22 2HD LYS 22 57.857 43.542 68.992 157 2HD LYS 22 1HD LYS 22 56.973 42.961 67.496 158 1HE LYS 22 2HE LYS 22 58.451 44.964 66.359 159 2HE LYS 22 1HE LYS 22 59.536 44.469 67.759 160 1HZ LYS 22 1HZ LYS 22 58.631 42.155 66.719 161 2HZ LYS 22 3HZ LYS 22 58.914 43.050 65.328 162 3HZ LYS 22 2HZ LYS 22 60.169 42.809 66.333 163 H ALA 23 H ALA 23 57.534 49.529 68.313 164 HA ALA 23 HA ALA 23 58.737 49.696 70.962 165 1HB ALA 23 2HB ALA 23 59.667 50.642 68.774 166 2HB ALA 23 1HB ALA 23 58.405 51.960 68.832 167 3HB ALA 23 3HB ALA 23 59.634 51.885 70.145 168 H LEU 24 H LEU 24 56.226 51.396 69.308 169 HA LEU 24 HA LEU 24 55.325 52.743 71.839 170 1HB LEU 24 2HB LEU 24 53.195 53.108 70.090 171 2HB LEU 24 1HB LEU 24 54.610 54.252 70.179 172 HG LEU 24 HG LEU 24 54.702 51.877 68.162 173 1HD1 LEU 24 3HD1 LEU 24 52.941 54.258 68.219 174 2HD1 LEU 24 2HD1 LEU 24 53.726 53.833 66.619 175 3HD1 LEU 24 1HD1 LEU 24 52.700 52.630 67.410 176 1HD2 LEU 24 2HD2 LEU 24 55.902 54.695 68.574 177 2HD2 LEU 24 1HD2 LEU 24 56.775 53.142 68.462 178 3HD2 LEU 24 3HD2 LEU 24 55.978 53.810 66.983 179 H ASP 25 H ASP 25 55.098 49.876 70.367 180 HA ASP 25 HA ASP 25 53.668 47.992 70.337 181 1HB ASP 25 2HB ASP 25 52.868 47.548 72.776 182 2HB ASP 25 1HB ASP 25 54.670 47.800 72.547 183 H ILE 26 H ILE 26 52.526 49.221 68.900 184 HA ILE 26 HA ILE 26 50.148 50.614 69.626 185 HB ILE 26 HB ILE 26 51.375 50.890 67.503 186 1HG1 ILE 26 2HG1 ILE 26 48.678 49.645 66.712 187 2HG1 ILE 26 1HG1 ILE 26 48.808 51.179 67.700 188 1HG2 ILE 26 2HG2 ILE 26 51.427 48.087 67.454 189 2HG2 ILE 26 1HG2 ILE 26 50.378 48.524 66.014 190 3HG2 ILE 26 3HG2 ILE 26 52.058 49.263 66.219 191 1HD1 ILE 26 2HD1 ILE 26 50.416 52.164 65.995 192 2HD1 ILE 26 1HD1 ILE 26 50.111 50.795 64.891 193 3HD1 ILE 26 3HD1 ILE 26 48.780 51.941 65.376 194 H ASP 27 H ASP 27 51.131 47.422 69.264 195 HA ASP 27 HA ASP 27 49.618 45.930 70.757 196 1HB ASP 27 2HB ASP 27 47.689 44.985 69.403 197 2HB ASP 27 1HB ASP 27 47.390 46.745 69.863 198 H PHE 28 H PHE 28 50.158 43.895 70.563 199 HA PHE 28 HA PHE 28 51.641 43.155 68.106 200 1HB PHE 28 2HB PHE 28 51.480 41.455 70.707 201 2HB PHE 28 1HB PHE 28 52.859 41.654 69.512 202 HD1 PHE 28 HD1 PHE 28 50.901 43.275 72.227 203 HD2 PHE 28 HD2 PHE 28 54.569 43.252 70.010 204 HE1 PHE 28 HE1 PHE 28 51.942 44.962 73.897 205 HE2 PHE 28 HE2 PHE 28 55.576 44.831 71.552 206 HZ PHE 28 HZ PHE 28 54.245 45.696 73.531 207 H ALA 29 H ALA 29 50.127 42.835 66.773 208 HA ALA 29 HA ALA 29 49.130 40.523 65.831 209 1HB ALA 29 1HB ALA 29 47.513 41.431 68.355 210 2HB ALA 29 3HB ALA 29 46.655 40.544 66.981 211 3HB ALA 29 2HB ALA 29 48.033 39.772 67.903 212 H THR 30 H THR 30 49.934 42.197 64.787 213 HA THR 30 HA THR 30 48.769 42.889 62.698 214 HB THR 30 HB THR 30 47.420 44.655 64.792 215 HG1 THR 30 1HG THR 30 45.705 43.978 63.631 216 1HG2 THR 30 2HG2 THR 30 48.223 45.338 61.877 217 2HG2 THR 30 1HG2 THR 30 46.496 45.647 62.392 218 3HG2 THR 30 3HG2 THR 30 47.868 46.433 63.320 219 H ARG 31 H ARG 31 50.866 42.569 62.906 220 HA ARG 31 HA ARG 31 52.605 45.019 62.652 221 1HB ARG 31 2HB ARG 31 54.132 42.741 63.558 222 2HB ARG 31 1HB ARG 31 53.911 44.353 64.332 223 1HG ARG 31 2HG ARG 31 52.236 43.376 65.889 224 2HG ARG 31 1HG ARG 31 51.812 42.104 64.645 225 1HD ARG 31 2HD ARG 31 54.662 42.230 65.641 226 2HD ARG 31 1HD ARG 31 53.410 41.473 66.741 227 HE ARG 31 HE ARG 31 53.456 40.623 63.928 228 1HH1 ARG 31 2HH1 ARG 31 53.997 39.821 67.458 229 2HH1 ARG 31 1HH1 ARG 31 54.025 38.098 67.119 230 1HH2 ARG 31 1HH2 ARG 31 53.536 38.227 63.679 231 2HH2 ARG 31 2HH2 ARG 31 53.780 37.308 65.174 232 H LYS 32 H LYS 32 52.408 41.403 62.382 233 HA LYS 32 HA LYS 32 54.134 41.486 60.063 234 1HB LYS 32 2HB LYS 32 54.367 39.850 61.867 235 2HB LYS 32 1HB LYS 32 52.674 39.309 61.473 236 1HG LYS 32 2HG LYS 32 53.401 37.999 59.727 237 2HG LYS 32 1HG LYS 32 54.335 39.345 58.994 238 1HD LYS 32 2HD LYS 32 55.730 38.493 61.427 239 2HD LYS 32 1HD LYS 32 55.483 37.143 60.259 240 1HE LYS 32 2HE LYS 32 57.518 38.289 59.519 241 2HE LYS 32 1HE LYS 32 56.177 38.844 58.405 242 1HZ LYS 32 1HZ LYS 32 56.516 40.360 60.884 243 2HZ LYS 32 3HZ LYS 32 57.708 40.512 59.757 244 3HZ LYS 32 2HZ LYS 32 56.096 40.882 59.360 245 H ILE 33 H ILE 33 50.985 42.112 60.695 246 HA ILE 33 HA ILE 33 50.000 40.702 58.245 247 HB ILE 33 HB ILE 33 48.585 41.839 60.707 248 1HG1 ILE 33 2HG1 ILE 33 47.780 39.518 61.029 249 2HG1 ILE 33 1HG1 ILE 33 48.684 38.960 59.560 250 1HG2 ILE 33 3HG2 ILE 33 47.236 40.498 58.184 251 2HG2 ILE 33 2HG2 ILE 33 46.475 40.865 59.747 252 3HG2 ILE 33 1HG2 ILE 33 47.084 42.219 58.693 253 1HD1 ILE 33 2HD1 ILE 33 49.969 40.517 61.896 254 2HD1 ILE 33 1HD1 ILE 33 49.829 38.697 62.053 255 3HD1 ILE 33 3HD1 ILE 33 50.761 39.382 60.687 256 H ALA 34 H ALA 34 49.743 43.898 59.918 257 HA ALA 34 HA ALA 34 48.192 45.293 58.010 258 1HB ALA 34 3HB ALA 34 49.119 46.195 60.233 259 2HB ALA 34 2HB ALA 34 50.715 46.307 59.419 260 3HB ALA 34 1HB ALA 34 49.333 47.341 58.832 261 H VAL 35 H VAL 35 51.605 44.802 58.301 262 HA VAL 35 HA VAL 35 53.431 45.592 57.075 263 HB VAL 35 HB VAL 35 52.005 43.605 55.231 264 1HG1 VAL 35 2HG1 VAL 35 54.494 45.304 54.870 265 2HG1 VAL 35 1HG1 VAL 35 54.776 43.524 54.686 266 3HG1 VAL 35 3HG1 VAL 35 53.554 44.324 53.684 267 1HG2 VAL 35 2HG2 VAL 35 54.332 43.400 57.260 268 2HG2 VAL 35 1HG2 VAL 35 52.666 42.754 57.505 269 3HG2 VAL 35 3HG2 VAL 35 53.726 42.052 56.171 270 H ARG 36 H ARG 36 51.141 45.105 54.462 271 HA ARG 36 HA ARG 36 50.816 47.832 53.613 272 1HB ARG 36 2HB ARG 36 53.442 47.137 53.102 273 2HB ARG 36 1HB ARG 36 52.604 46.408 51.671 274 1HG ARG 36 2HG ARG 36 51.422 49.045 52.074 275 2HG ARG 36 1HG ARG 36 53.229 49.215 52.112 276 1HD ARG 36 2HD ARG 36 51.891 47.378 50.105 277 2HD ARG 36 1HD ARG 36 51.957 49.142 49.757 278 HE ARG 36 HE ARG 36 54.481 48.937 50.274 279 1HH1 ARG 36 2HH2 ARG 36 52.632 46.215 48.770 280 2HH1 ARG 36 1HH2 ARG 36 54.100 45.588 48.004 281 1HH2 ARG 36 2HH1 ARG 36 56.315 48.012 49.221 282 2HH2 ARG 36 1HH1 ARG 36 56.090 46.552 48.255 283 H LEU 37 H LEU 37 48.875 47.498 53.301 284 HA LEU 37 HA LEU 37 48.259 45.275 51.378 285 1HB LEU 37 2HB LEU 37 45.846 45.626 52.012 286 2HB LEU 37 1HB LEU 37 46.941 45.271 53.458 287 HG LEU 37 HG LEU 37 47.008 47.676 54.008 288 1HD1 LEU 37 2HD1 LEU 37 45.395 47.991 51.467 289 2HD1 LEU 37 1HD1 LEU 37 45.233 49.208 52.810 290 3HD1 LEU 37 3HD1 LEU 37 46.867 48.916 52.112 291 1HD2 LEU 37 1HD2 LEU 37 45.089 45.859 54.534 292 2HD2 LEU 37 3HD2 LEU 37 44.781 47.579 54.973 293 3HD2 LEU 37 2HD2 LEU 37 44.064 46.846 53.439 294 H THR 38 H THR 38 49.197 48.243 51.289 295 HA THR 38 HA THR 38 49.513 49.048 48.944 296 HB THR 38 HB THR 38 46.490 49.155 49.373 297 HG1 THR 38 1HG THR 38 46.433 47.988 47.498 298 1HG2 THR 38 3HG2 THR 38 48.268 50.811 47.571 299 2HG2 THR 38 2HG2 THR 38 46.673 50.271 46.788 300 3HG2 THR 38 1HG2 THR 38 46.643 51.185 48.301 301 H GLN 39 H GLN 39 50.801 50.572 50.303 302 HA GLN 39 HA GLN 39 48.996 52.492 51.670 303 1HB GLN 39 2HB GLN 39 50.739 52.774 53.114 304 2HB GLN 39 1HB GLN 39 51.263 51.218 52.325 305 1HG GLN 39 2HG GLN 39 52.184 53.694 50.880 306 2HG GLN 39 1HG GLN 39 52.903 53.359 52.515 307 1HE2 GLN 39 1HE2 GLN 39 53.449 50.786 49.290 308 2HE2 GLN 39 2HE2 GLN 39 52.177 52.024 49.291 309 H THR 40 H THR 40 50.092 54.607 51.895 310 HA THR 40 HA THR 40 51.108 56.074 49.675 311 HB THR 40 HB THR 40 48.028 56.161 49.986 312 HG1 THR 40 1HG THR 40 48.157 55.805 47.715 313 1HG2 THR 40 1HG2 THR 40 50.011 58.053 48.523 314 2HG2 THR 40 3HG2 THR 40 48.222 58.079 48.269 315 3HG2 THR 40 2HG2 THR 40 48.968 58.492 49.905 316 H LYS 41 H LYS 41 51.711 58.027 50.189 317 HA LYS 41 HA LYS 41 50.570 58.996 52.871 318 1HB LYS 41 2HB LYS 41 52.942 58.213 53.039 319 2HB LYS 41 1HB LYS 41 53.326 59.256 51.557 320 1HG LYS 41 2HG LYS 41 52.090 60.745 53.803 321 2HG LYS 41 1HG LYS 41 53.636 59.906 54.337 322 1HD LYS 41 2HD LYS 41 54.599 60.999 52.063 323 2HD LYS 41 1HD LYS 41 53.036 61.872 52.016 324 1HE LYS 41 2HE LYS 41 53.930 63.500 53.302 325 2HE LYS 41 1HE LYS 41 54.091 62.278 54.660 326 1HZ LYS 41 1HZ LYS 41 56.080 62.552 52.417 327 2HZ LYS 41 3HZ LYS 41 56.074 63.644 53.691 328 3HZ LYS 41 2HZ LYS 41 56.333 62.048 54.003 329 H ILE 42 H ILE 42 50.415 61.379 52.899 330 HA ILE 42 HA ILE 42 50.740 62.670 50.180 331 HB ILE 42 HB ILE 42 48.055 62.469 51.762 332 1HG1 ILE 42 2HG1 ILE 42 48.079 62.194 48.839 333 2HG1 ILE 42 1HG1 ILE 42 48.946 60.840 49.653 334 1HG2 ILE 42 2HG2 ILE 42 48.962 64.402 49.626 335 2HG2 ILE 42 1HG2 ILE 42 47.253 63.923 49.855 336 3HG2 ILE 42 3HG2 ILE 42 48.052 64.732 51.206 337 1HD1 ILE 42 3HD1 ILE 42 46.758 61.046 51.405 338 2HD1 ILE 42 2HD1 ILE 42 45.997 61.641 49.897 339 3HD1 ILE 42 1HD1 ILE 42 46.767 59.999 49.956 340 H ILE 43 H ILE 43 52.073 64.007 50.689 341 HA ILE 43 HA ILE 43 51.896 65.626 53.170 342 HB ILE 43 HB ILE 43 53.743 64.628 51.493 343 1HG1 ILE 43 2HG1 ILE 43 53.890 65.986 53.818 344 2HG1 ILE 43 1HG1 ILE 43 55.417 65.797 52.832 345 1HG2 ILE 43 2HG2 ILE 43 53.400 67.581 50.559 346 2HG2 ILE 43 1HG2 ILE 43 54.925 66.567 50.303 347 3HG2 ILE 43 3HG2 ILE 43 53.304 66.066 49.611 348 1HD1 ILE 43 1HD1 ILE 43 53.398 68.050 52.454 349 2HD1 ILE 43 3HD1 ILE 43 54.640 68.192 53.766 350 3HD1 ILE 43 2HD1 ILE 43 55.220 68.050 52.099 351 H VAL 44 H VAL 44 51.116 67.557 53.409 352 HA VAL 44 HA VAL 44 50.306 69.097 50.861 353 HB VAL 44 HB VAL 44 48.666 68.749 53.355 354 1HG1 VAL 44 2HG1 VAL 44 48.681 70.570 51.055 355 2HG1 VAL 44 1HG1 VAL 44 47.040 69.738 51.168 356 3HG1 VAL 44 3HG1 VAL 44 47.735 70.628 52.568 357 1HG2 VAL 44 2HG2 VAL 44 48.791 66.615 51.863 358 2HG2 VAL 44 1HG2 VAL 44 47.099 67.216 52.013 359 3HG2 VAL 44 3HG2 VAL 44 48.016 67.530 50.510 360 H GLN 45 H GLN 45 51.890 70.656 51.281 361 HA GLN 45 HA GLN 45 51.509 72.185 53.821 362 1HB GLN 45 2HB GLN 45 53.618 72.299 51.555 363 2HB GLN 45 1HB GLN 45 53.438 73.585 52.872 364 1HG GLN 45 2HG GLN 45 54.108 72.054 54.585 365 2HG GLN 45 1HG GLN 45 53.706 70.631 53.417 366 1HE2 GLN 45 1HE2 GLN 45 56.865 70.887 51.875 367 2HE2 GLN 45 2HE2 GLN 45 55.091 70.278 51.835 368 H ASP 46 H ASP 46 50.493 73.862 54.048 369 HA ASP 46 HA ASP 46 49.945 75.417 51.517 370 1HB ASP 46 2HB ASP 46 48.092 73.729 52.289 371 2HB ASP 46 1HB ASP 46 47.820 74.872 53.711 372 H GLY 47 H GLY 47 51.806 75.831 53.609 373 1HA GLY 47 1HA GLY 47 52.684 77.850 54.484 374 2HA GLY 47 2HA GLY 47 51.052 78.672 54.162 375 H ASP 48 H ASP 48 53.146 77.838 56.460 376 HA ASP 48 HA ASP 48 52.938 77.850 58.858 377 1HB ASP 48 2HB ASP 48 50.897 79.475 57.931 378 2HB ASP 48 1HB ASP 48 49.985 78.247 59.092 379 H ASN 49 H ASN 49 49.791 76.632 57.758 380 HA ASN 49 HA ASN 49 50.026 74.209 59.523 381 1HB ASN 49 2HB ASN 49 47.759 75.544 57.922 382 2HB ASN 49 1HB ASN 49 47.606 73.998 58.972 383 1HD2 ASN 49 2HD2 ASN 49 46.740 76.870 61.145 384 2HD2 ASN 49 1HD2 ASN 49 46.010 75.863 59.679 385 H PHE 50 H PHE 50 50.904 72.560 58.726 386 HA PHE 50 HA PHE 50 50.611 71.713 55.870 387 1HB PHE 50 2HB PHE 50 52.885 72.036 56.097 388 2HB PHE 50 1HB PHE 50 52.870 71.697 57.883 389 HD1 PHE 50 HD1 PHE 50 52.098 69.871 54.607 390 HD2 PHE 50 HD2 PHE 50 53.517 69.789 58.703 391 HE1 PHE 50 HE1 PHE 50 52.683 67.415 54.451 392 HE2 PHE 50 HE2 PHE 50 54.069 67.370 58.497 393 HZ PHE 50 HZ PHE 50 53.619 66.247 56.313 394 H LYS 51 H LYS 51 49.952 69.579 55.396 395 HA LYS 51 HA LYS 51 49.856 67.873 57.850 396 1HB LYS 51 2HB LYS 51 47.383 68.445 56.062 397 2HB LYS 51 1HB LYS 51 47.462 67.268 57.492 398 1HG LYS 51 2HG LYS 51 47.663 69.233 59.057 399 2HG LYS 51 1HG LYS 51 47.874 70.352 57.663 400 1HD LYS 51 2HD LYS 51 45.689 69.324 56.777 401 2HD LYS 51 1HD LYS 51 45.461 68.681 58.459 402 1HE LYS 51 2HE LYS 51 45.461 70.934 59.399 403 2HE LYS 51 1HE LYS 51 46.102 71.621 57.830 404 1HZ LYS 51 1HZ LYS 51 43.482 70.256 58.212 405 2HZ LYS 51 3HZ LYS 51 43.641 71.927 58.211 406 3HZ LYS 51 2HZ LYS 51 43.913 71.066 56.810 407 H THR 52 H THR 52 51.088 66.292 57.354 408 HA THR 52 HA THR 52 50.764 65.037 54.678 409 HB THR 52 HB THR 52 52.442 64.642 57.179 410 HG1 THR 52 1HG THR 52 52.637 64.961 54.786 411 1HG2 THR 52 1HG2 THR 52 50.859 62.331 57.029 412 2HG2 THR 52 3HG2 THR 52 51.727 62.113 55.488 413 3HG2 THR 52 2HG2 THR 52 52.685 62.122 56.990 414 H LYS 53 H LYS 53 50.065 62.872 54.304 415 HA LYS 53 HA LYS 53 47.881 62.073 56.222 416 1HB LYS 53 2HB LYS 53 47.525 63.842 53.717 417 2HB LYS 53 1HB LYS 53 46.537 62.355 53.676 418 1HG LYS 53 2HG LYS 53 46.682 63.864 56.327 419 2HG LYS 53 1HG LYS 53 45.925 64.729 54.853 420 1HD LYS 53 2HD LYS 53 44.602 63.169 56.602 421 2HD LYS 53 1HD LYS 53 44.179 63.511 54.810 422 1HE LYS 53 2HE LYS 53 44.715 61.364 54.170 423 2HE LYS 53 1HE LYS 53 46.034 61.161 55.409 424 1HZ LYS 53 3HZ LYS 53 43.607 61.406 56.730 425 2HZ LYS 53 2HZ LYS 53 43.252 60.393 55.471 426 3HZ LYS 53 1HZ LYS 53 44.486 59.971 56.499 427 H THR 54 H THR 54 47.644 60.015 56.194 428 HA THR 54 HA THR 54 48.647 58.613 53.767 429 HB THR 54 HB THR 54 49.242 58.059 56.410 430 HG1 THR 54 1HG THR 54 50.563 57.084 55.325 431 1HG2 THR 54 3HG2 THR 54 46.802 56.931 56.467 432 2HG2 THR 54 2HG2 THR 54 47.412 55.770 55.277 433 3HG2 THR 54 1HG2 THR 54 48.175 55.847 56.941 434 H ASN 55 H ASN 55 47.817 56.937 52.789 435 HA ASN 55 HA ASN 55 44.832 56.718 53.124 436 1HB ASN 55 2HB ASN 55 46.351 58.033 50.979 437 2HB ASN 55 1HB ASN 55 45.123 56.787 50.307 438 1HD2 ASN 55 2HD2 ASN 55 42.510 58.760 52.149 439 2HD2 ASN 55 1HD2 ASN 55 43.142 56.985 52.037 440 H SER 56 H SER 56 45.883 55.006 54.141 441 HA SER 56 HA SER 56 46.191 52.380 52.671 442 1HB SER 56 2HB SER 56 46.109 52.715 55.679 443 2HB SER 56 1HB SER 56 47.169 51.630 54.638 444 HG SER 56 HG SER 56 48.393 53.387 54.078 445 H THR 57 H THR 57 45.255 50.769 54.122 446 HA THR 57 HA THR 57 42.304 51.394 54.461 447 HB THR 57 HB THR 57 43.465 48.699 53.470 448 HG1 THR 57 1HG THR 57 42.158 50.900 52.247 449 1HG2 THR 57 1HG2 THR 57 41.252 48.938 55.033 450 2HG2 THR 57 3HG2 THR 57 40.539 49.427 53.409 451 3HG2 THR 57 2HG2 THR 57 41.321 47.848 53.573 452 H PHE 58 H PHE 58 44.966 49.411 55.392 453 HA PHE 58 HA PHE 58 43.881 48.269 57.739 454 1HB PHE 58 2HB PHE 58 46.769 49.037 56.998 455 2HB PHE 58 1HB PHE 58 46.395 48.538 58.694 456 HD1 PHE 58 HD1 PHE 58 44.461 46.386 58.433 457 HD2 PHE 58 HD2 PHE 58 47.740 47.291 55.833 458 HE1 PHE 58 HE1 PHE 58 44.521 43.968 57.679 459 HE2 PHE 58 HE2 PHE 58 47.786 44.984 55.120 460 HZ PHE 58 HZ PHE 58 46.167 43.290 56.036 461 H ARG 59 H ARG 59 45.850 51.147 57.341 462 HA ARG 59 HA ARG 59 44.229 52.493 59.506 463 1HB ARG 59 2HB ARG 59 47.180 51.701 59.795 464 2HB ARG 59 1HB ARG 59 46.553 53.251 60.557 465 1HG ARG 59 2HG ARG 59 44.615 51.230 61.214 466 2HG ARG 59 1HG ARG 59 46.283 50.459 61.432 467 1HD ARG 59 2HD ARG 59 46.872 52.364 62.995 468 2HD ARG 59 1HD ARG 59 45.316 53.159 62.524 469 HE ARG 59 HE ARG 59 44.729 50.511 63.376 470 1HH1 ARG 59 1HH2 ARG 59 45.775 53.799 64.522 471 2HH1 ARG 59 2HH2 ARG 59 45.014 53.641 66.080 472 1HH2 ARG 59 2HH1 ARG 59 43.727 50.416 65.544 473 2HH2 ARG 59 1HH1 ARG 59 43.834 51.724 66.691 474 H ASN 60 H ASN 60 43.598 54.001 58.537 475 HA ASN 60 HA ASN 60 45.312 55.718 56.810 476 1HB ASN 60 2HB ASN 60 42.374 55.987 57.818 477 2HB ASN 60 1HB ASN 60 43.075 56.847 56.329 478 1HD2 ASN 60 1HD2 ASN 60 41.800 54.501 54.319 479 2HD2 ASN 60 2HD2 ASN 60 41.983 56.193 54.739 480 H TYR 61 H TYR 61 46.704 56.258 58.326 481 HA TYR 61 HA TYR 61 45.941 57.875 60.653 482 1HB TYR 61 2HB TYR 61 48.321 56.762 60.016 483 2HB TYR 61 1HB TYR 61 48.617 58.397 59.196 484 HD1 TYR 61 HD2 TYR 61 47.182 56.949 62.489 485 HD2 TYR 61 HD1 TYR 61 49.579 59.982 60.458 486 HE1 TYR 61 HE2 TYR 61 47.804 58.065 64.678 487 HE2 TYR 61 HE1 TYR 61 50.155 61.022 62.524 488 HH TYR 61 HH TYR 61 50.092 59.669 65.243 489 H ASP 62 H ASP 62 46.601 60.127 60.901 490 HA ASP 62 HA ASP 62 46.209 61.800 58.394 491 1HB ASP 62 2HB ASP 62 44.695 62.360 60.974 492 2HB ASP 62 1HB ASP 62 44.387 62.838 59.156 493 H LEU 63 H LEU 63 48.344 62.288 58.554 494 HA LEU 63 HA LEU 63 49.459 63.602 60.984 495 1HB LEU 63 2HB LEU 63 50.636 62.408 58.896 496 2HB LEU 63 1HB LEU 63 50.679 64.147 58.251 497 HG LEU 63 HG LEU 63 51.611 64.615 60.743 498 1HD1 LEU 63 3HD1 LEU 63 50.968 61.860 60.925 499 2HD1 LEU 63 2HD1 LEU 63 52.791 61.988 60.877 500 3HD1 LEU 63 1HD1 LEU 63 51.786 62.872 62.148 501 1HD2 LEU 63 3HD2 LEU 63 53.131 63.293 58.472 502 2HD2 LEU 63 2HD2 LEU 63 53.230 64.984 59.218 503 3HD2 LEU 63 1HD2 LEU 63 53.928 63.550 60.104 504 H ASP 64 H ASP 64 47.345 64.878 61.071 505 HA ASP 64 HA ASP 64 47.731 67.347 59.439 506 1HB ASP 64 2HB ASP 64 45.444 66.745 59.469 507 2HB ASP 64 1HB ASP 64 45.573 65.952 61.161 508 H PHE 65 H PHE 65 49.296 68.479 60.191 509 HA PHE 65 HA PHE 65 49.519 69.080 63.094 510 1HB PHE 65 2HB PHE 65 51.508 68.525 60.794 511 2HB PHE 65 1HB PHE 65 52.002 69.575 62.194 512 HD1 PHE 65 HD2 PHE 65 50.816 68.541 64.463 513 HD2 PHE 65 HD1 PHE 65 52.515 66.405 61.033 514 HE1 PHE 65 HE2 PHE 65 51.339 66.628 65.833 515 HE2 PHE 65 HE1 PHE 65 53.014 64.519 62.409 516 HZ PHE 65 HZ PHE 65 52.466 64.544 64.825 517 H THR 66 H THR 66 51.126 71.057 63.153 518 HA THR 66 HA THR 66 50.711 73.130 61.121 519 HB THR 66 HB THR 66 49.198 72.981 63.685 520 HG1 THR 66 1HG THR 66 48.168 74.642 62.621 521 1HG2 THR 66 3HG2 THR 66 50.739 75.626 62.809 522 2HG2 THR 66 2HG2 THR 66 49.514 75.562 64.097 523 3HG2 THR 66 1HG2 THR 66 51.127 74.798 64.351 524 H VAL 67 H VAL 67 52.613 74.327 61.040 525 HA VAL 67 HA VAL 67 54.893 73.257 62.364 526 HB VAL 67 HB VAL 67 54.458 76.096 61.294 527 1HG1 VAL 67 2HG1 VAL 67 56.500 75.548 62.836 528 2HG1 VAL 67 1HG1 VAL 67 57.086 74.604 61.400 529 3HG1 VAL 67 3HG1 VAL 67 56.730 76.400 61.213 530 1HG2 VAL 67 1HG2 VAL 67 54.165 73.747 59.897 531 2HG2 VAL 67 3HG2 VAL 67 54.971 75.164 59.209 532 3HG2 VAL 67 2HG2 VAL 67 56.006 73.821 59.927 533 H GLY 68 H GLY 68 56.007 73.490 63.954 534 1HA GLY 68 1HA GLY 68 56.209 73.684 66.292 535 2HA GLY 68 2HA GLY 68 56.472 75.426 65.787 536 H VAL 69 H VAL 69 53.538 73.358 66.003 537 HA VAL 69 HA VAL 69 52.208 75.549 67.647 538 HB VAL 69 HB VAL 69 51.527 73.357 65.824 539 1HG1 VAL 69 3HG1 VAL 69 51.667 71.825 67.755 540 2HG1 VAL 69 2HG1 VAL 69 50.297 72.672 68.590 541 3HG1 VAL 69 1HG1 VAL 69 49.992 71.920 67.023 542 1HG2 VAL 69 2HG2 VAL 69 50.263 75.520 66.011 543 2HG2 VAL 69 1HG2 VAL 69 49.205 74.076 66.038 544 3HG2 VAL 69 3HG2 VAL 69 49.482 74.900 67.589 545 H GLU 70 H GLU 70 54.047 72.704 67.915 546 HA GLU 70 HA GLU 70 54.521 71.394 69.815 547 1HB GLU 70 2HB GLU 70 54.947 73.770 70.756 548 2HB GLU 70 1HB GLU 70 53.241 73.650 71.474 549 1HG GLU 70 2HG GLU 70 53.843 71.572 72.657 550 2HG GLU 70 1HG GLU 70 55.642 71.847 72.158 551 H PHE 71 H PHE 71 53.231 70.262 68.817 552 HA PHE 71 HA PHE 71 50.427 69.854 69.536 553 1HB PHE 71 2HB PHE 71 51.793 68.855 67.554 554 2HB PHE 71 1HB PHE 71 51.974 67.415 68.663 555 HD1 PHE 71 HD1 PHE 71 49.553 69.702 67.048 556 HD2 PHE 71 HD2 PHE 71 50.078 66.025 69.095 557 HE1 PHE 71 HE1 PHE 71 47.224 69.081 66.499 558 HE2 PHE 71 HE2 PHE 71 47.780 65.342 68.599 559 HZ PHE 71 HZ PHE 71 46.270 66.898 67.250 560 H ASP 72 H ASP 72 50.841 70.217 71.821 561 HA ASP 72 HA ASP 72 52.123 68.372 73.571 562 1HB ASP 72 2HB ASP 72 50.024 69.093 75.149 563 2HB ASP 72 1HB ASP 72 51.309 70.329 74.690 564 H GLU 73 H GLU 73 51.989 66.390 73.345 565 HA GLU 73 HA GLU 73 51.100 64.117 73.705 566 1HB GLU 73 2HB GLU 73 49.649 66.083 75.312 567 2HB GLU 73 1HB GLU 73 48.520 64.877 74.633 568 1HG GLU 73 2HG GLU 73 49.298 63.724 76.552 569 2HG GLU 73 1HG GLU 73 50.633 63.216 75.361 570 H HIS 74 H HIS 74 48.898 63.144 73.716 571 HA HIS 74 HA HIS 74 47.225 62.180 72.601 572 1HB HIS 74 2HB HIS 74 47.199 64.917 71.214 573 2HB HIS 74 1HB HIS 74 46.357 63.536 70.398 574 HD1 HIS 74 HD1 HIS 74 44.469 62.294 71.819 575 HD2 HIS 74 HD2 HIS 74 46.136 65.805 73.523 576 HE1 HIS 74 HE1 HIS 74 42.909 63.023 73.716 577 HE2 HIS 74 HE2 HIS 74 43.911 65.142 74.738 578 H THR 75 H THR 75 48.299 60.583 72.222 579 HA THR 75 HA THR 75 49.556 60.083 69.522 580 HB THR 75 HB THR 75 50.595 58.215 70.631 581 HG1 THR 75 1HG THR 75 49.829 59.261 73.119 582 1HG2 THR 75 3HG2 THR 75 50.805 61.145 71.732 583 2HG2 THR 75 2HG2 THR 75 51.702 59.891 72.669 584 3HG2 THR 75 1HG2 THR 75 52.092 60.111 70.907 585 H LYS 76 H LYS 76 46.922 59.297 71.483 586 HA LYS 76 HA LYS 76 46.440 56.610 71.408 587 1HB LYS 76 2HB LYS 76 44.145 57.011 71.579 588 2HB LYS 76 1HB LYS 76 44.908 58.605 72.070 589 1HG LYS 76 2HG LYS 76 43.793 57.888 69.298 590 2HG LYS 76 1HG LYS 76 42.987 58.960 70.516 591 1HD LYS 76 2HD LYS 76 45.010 60.424 70.541 592 2HD LYS 76 1HD LYS 76 45.585 59.577 68.993 593 1HE LYS 76 2HE LYS 76 44.417 61.631 68.403 594 2HE LYS 76 1HE LYS 76 43.350 60.261 67.936 595 1HZ LYS 76 2HZ LYS 76 42.283 60.740 70.258 596 2HZ LYS 76 1HZ LYS 76 43.174 62.156 70.156 597 3HZ LYS 76 3HZ LYS 76 41.997 61.901 69.056 598 H GLY 77 H GLY 77 45.422 55.215 70.463 599 1HA GLY 77 1HA GLY 77 44.613 53.868 68.716 600 2HA GLY 77 2HA GLY 77 45.031 55.150 67.475 601 H LEU 78 H LEU 78 47.476 55.768 67.692 602 HA LEU 78 HA LEU 78 48.770 53.495 66.455 603 1HB LEU 78 2HB LEU 78 48.662 55.969 65.845 604 2HB LEU 78 1HB LEU 78 49.932 56.268 67.161 605 HG LEU 78 HG LEU 78 51.343 54.498 65.915 606 1HD1 LEU 78 3HD1 LEU 78 48.841 54.123 64.541 607 2HD1 LEU 78 2HD1 LEU 78 49.996 54.812 63.356 608 3HD1 LEU 78 1HD1 LEU 78 50.410 53.271 64.272 609 1HD2 LEU 78 2HD2 LEU 78 50.445 57.216 64.646 610 2HD2 LEU 78 1HD2 LEU 78 52.000 56.782 65.454 611 3HD2 LEU 78 3HD2 LEU 78 51.616 56.162 63.793 612 H ASP 79 H ASP 79 49.362 55.601 69.302 613 HA ASP 79 HA ASP 79 51.379 53.563 70.232 614 1HB ASP 79 2HB ASP 79 51.014 56.393 71.236 615 2HB ASP 79 1HB ASP 79 52.501 55.260 71.456 616 H GLY 80 H GLY 80 49.160 56.065 71.458 617 1HA GLY 80 1HA GLY 80 47.551 56.077 73.046 618 2HA GLY 80 2HA GLY 80 47.747 54.265 73.213 619 H ARG 81 H ARG 81 49.797 57.106 73.386 620 HA ARG 81 HA ARG 81 50.371 56.500 76.294 621 1HB ARG 81 2HB ARG 81 52.292 55.824 75.083 622 2HB ARG 81 1HB ARG 81 52.410 57.437 74.170 623 1HG ARG 81 2HG ARG 81 53.517 58.368 76.001 624 2HG ARG 81 1HG ARG 81 52.232 57.804 77.110 625 1HD ARG 81 2HD ARG 81 54.419 56.034 75.958 626 2HD ARG 81 1HD ARG 81 54.614 56.930 77.542 627 HE ARG 81 HE ARG 81 53.035 54.502 77.036 628 1HH1 ARG 81 2HH1 ARG 81 53.371 57.565 78.946 629 2HH1 ARG 81 1HH1 ARG 81 52.498 56.994 80.335 630 1HH2 ARG 81 1HH2 ARG 81 51.788 53.746 79.019 631 2HH2 ARG 81 2HH2 ARG 81 51.617 54.853 80.345 632 H ASN 82 H ASN 82 52.020 59.291 74.933 633 HA ASN 82 HA ASN 82 50.457 61.367 74.974 634 1HB ASN 82 2HB ASN 82 50.508 60.305 77.894 635 2HB ASN 82 1HB ASN 82 50.794 62.160 77.615 636 1HD2 ASN 82 1HD2 ASN 82 47.406 62.015 78.186 637 2HD2 ASN 82 2HD2 ASN 82 48.978 61.974 78.984 638 H VAL 83 H VAL 83 51.938 62.432 74.004 639 HA VAL 83 HA VAL 83 54.418 63.260 75.485 640 HB VAL 83 HB VAL 83 54.609 62.244 72.695 641 1HG1 VAL 83 1HG1 VAL 83 56.500 63.266 74.317 642 2HG1 VAL 83 3HG1 VAL 83 56.661 61.567 74.882 643 3HG1 VAL 83 2HG1 VAL 83 56.956 61.990 73.127 644 1HG2 VAL 83 2HG2 VAL 83 54.453 60.385 75.130 645 2HG2 VAL 83 1HG2 VAL 83 53.383 60.426 73.696 646 3HG2 VAL 83 3HG2 VAL 83 55.123 59.856 73.509 647 H LYS 84 H LYS 84 55.363 65.087 74.851 648 HA LYS 84 HA LYS 84 53.852 66.954 73.221 649 1HB LYS 84 2HB LYS 84 56.716 66.918 74.254 650 2HB LYS 84 1HB LYS 84 56.363 67.845 72.738 651 1HG LYS 84 2HG LYS 84 56.052 69.203 74.935 652 2HG LYS 84 1HG LYS 84 54.644 69.167 73.755 653 1HD LYS 84 2HD LYS 84 53.893 68.925 76.028 654 2HD LYS 84 1HD LYS 84 53.526 67.426 75.123 655 1HE LYS 84 2HE LYS 84 55.995 66.575 76.055 656 2HE LYS 84 1HE LYS 84 55.713 67.926 77.243 657 1HZ LYS 84 2HZ LYS 84 53.408 66.890 77.512 658 2HZ LYS 84 1HZ LYS 84 54.018 65.481 76.863 659 3HZ LYS 84 3HZ LYS 84 54.693 66.088 78.232 660 H THR 85 H THR 85 54.457 67.856 71.192 661 HA THR 85 HA THR 85 56.037 66.265 69.230 662 HB THR 85 HB THR 85 53.095 65.840 69.790 663 HG1 THR 85 1HG THR 85 53.810 63.998 69.724 664 1HG2 THR 85 2HG2 THR 85 54.670 65.801 67.010 665 2HG2 THR 85 1HG2 THR 85 53.065 65.027 67.270 666 3HG2 THR 85 3HG2 THR 85 53.212 66.851 67.317 667 H LEU 86 H LEU 86 57.129 67.883 68.983 668 HA LEU 86 HA LEU 86 55.726 70.300 67.987 669 1HB LEU 86 2HB LEU 86 57.582 70.406 69.848 670 2HB LEU 86 1HB LEU 86 58.726 69.904 68.491 671 HG LEU 86 HG LEU 86 57.581 71.936 67.165 672 1HD1 LEU 86 1HD1 LEU 86 56.219 72.494 69.254 673 2HD1 LEU 86 3HD1 LEU 86 57.803 72.762 70.152 674 3HD1 LEU 86 2HD1 LEU 86 57.323 73.859 68.825 675 1HD2 LEU 86 1HD2 LEU 86 59.910 71.814 69.195 676 2HD2 LEU 86 3HD2 LEU 86 59.998 71.518 67.436 677 3HD2 LEU 86 2HD2 LEU 86 59.670 73.203 67.987 678 H VAL 87 H VAL 87 55.447 70.462 66.002 679 HA VAL 87 HA VAL 87 57.187 69.253 63.976 680 HB VAL 87 HB VAL 87 54.665 71.108 63.858 681 1HG1 VAL 87 2HG1 VAL 87 56.451 70.844 61.762 682 2HG1 VAL 87 1HG1 VAL 87 55.430 69.455 61.405 683 3HG1 VAL 87 3HG1 VAL 87 54.641 71.063 61.550 684 1HG2 VAL 87 3HG2 VAL 87 55.000 68.085 63.924 685 2HG2 VAL 87 2HG2 VAL 87 53.680 69.181 64.523 686 3HG2 VAL 87 1HG2 VAL 87 53.804 68.726 62.778 687 H THR 88 H THR 88 58.436 70.375 62.495 688 HA THR 88 HA THR 88 58.708 73.299 62.688 689 HB THR 88 HB THR 88 60.313 71.199 64.127 690 HG1 THR 88 1HG THR 88 60.370 72.769 65.590 691 1HG2 THR 88 3HG2 THR 88 62.030 72.061 62.438 692 2HG2 THR 88 2HG2 THR 88 61.720 73.791 62.991 693 3HG2 THR 88 1HG2 THR 88 62.383 72.601 64.137 694 H TRP 89 H TRP 89 60.486 74.002 61.357 695 HA TRP 89 HA TRP 89 60.840 72.410 58.809 696 1HB TRP 89 2HB TRP 89 61.018 75.404 59.672 697 2HB TRP 89 1HB TRP 89 61.702 74.871 58.100 698 HD1 TRP 89 HD1 TRP 89 58.488 76.037 59.540 699 HE1 TRP 89 HE1 TRP 89 56.592 75.044 58.083 700 HE3 TRP 89 HE3 TRP 89 61.195 72.763 56.984 701 HZ2 TRP 89 HZ2 TRP 89 56.360 72.949 56.051 702 HZ3 TRP 89 HZ3 TRP 89 60.227 71.222 55.295 703 HH2 TRP 89 HH2 TRP 89 57.890 71.356 54.934 704 H GLU 90 H GLU 90 62.931 71.736 58.144 705 HA GLU 90 HA GLU 90 64.865 71.957 60.378 706 1HB GLU 90 2HB GLU 90 64.306 69.975 58.824 707 2HB GLU 90 1HB GLU 90 65.425 70.759 57.632 708 1HG GLU 90 2HG GLU 90 66.008 69.437 60.417 709 2HG GLU 90 1HG GLU 90 66.943 69.431 58.783 710 H GLY 91 H GLY 91 64.544 72.639 57.038 711 1HA GLY 91 1HA GLY 91 65.841 75.219 56.917 712 2HA GLY 91 2HA GLY 91 66.909 73.887 56.245 713 H ASN 92 H ASN 92 65.499 72.158 55.353 714 HA ASN 92 HA ASN 92 63.413 73.191 53.498 715 1HB ASN 92 2HB ASN 92 64.639 71.658 51.688 716 2HB ASN 92 1HB ASN 92 65.344 73.373 52.077 717 1HD2 ASN 92 2HD2 ASN 92 68.286 72.432 53.443 718 2HD2 ASN 92 1HD2 ASN 92 67.103 73.653 53.014 719 H THR 93 H THR 93 62.908 71.858 55.660 720 HA THR 93 HA THR 93 61.540 69.496 54.736 721 HB THR 93 HB THR 93 63.890 68.467 54.786 722 HG1 THR 93 1HG THR 93 61.987 67.565 54.508 723 1HG2 THR 93 1HG2 THR 93 63.216 68.698 57.857 724 2HG2 THR 93 3HG2 THR 93 64.025 67.241 57.239 725 3HG2 THR 93 2HG2 THR 93 64.828 68.815 56.965 726 H LEU 94 H LEU 94 60.515 68.306 56.029 727 HA LEU 94 HA LEU 94 59.387 69.694 58.365 728 1HB LEU 94 2HB LEU 94 57.877 68.831 56.529 729 2HB LEU 94 1HB LEU 94 58.261 67.165 57.088 730 HG LEU 94 HG LEU 94 57.878 68.495 59.460 731 1HD1 LEU 94 2HD1 LEU 94 55.754 69.441 57.439 732 2HD1 LEU 94 1HD1 LEU 94 55.393 69.274 59.203 733 3HD1 LEU 94 3HD1 LEU 94 56.682 70.454 58.600 734 1HD2 LEU 94 1HD2 LEU 94 55.995 66.646 57.900 735 2HD2 LEU 94 3HD2 LEU 94 57.161 66.221 59.219 736 3HD2 LEU 94 2HD2 LEU 94 55.636 67.212 59.554 737 H VAL 95 H VAL 95 60.455 69.548 60.012 738 HA VAL 95 HA VAL 95 61.492 67.030 61.039 739 HB VAL 95 HB VAL 95 61.646 70.027 61.899 740 1HG1 VAL 95 3HG1 VAL 95 62.220 67.736 63.529 741 2HG1 VAL 95 2HG1 VAL 95 63.710 68.787 63.350 742 3HG1 VAL 95 1HG1 VAL 95 62.166 69.447 64.008 743 1HG2 VAL 95 3HG2 VAL 95 63.234 68.491 59.995 744 2HG2 VAL 95 2HG2 VAL 95 63.702 70.061 60.724 745 3HG2 VAL 95 1HG2 VAL 95 64.212 68.490 61.523 746 H CYS 96 H CYS 96 60.277 65.999 62.685 747 HA CYS 96 HA CYS 96 58.725 67.815 64.489 748 1HB CYS 96 2HB CYS 96 57.574 65.088 63.612 749 2HB CYS 96 1HB CYS 96 56.684 66.307 64.551 750 HG CYS 96 HG CYS 96 57.155 65.925 61.427 751 H VAL 97 H VAL 97 58.880 67.350 66.400 752 HA VAL 97 HA VAL 97 60.635 65.087 67.344 753 HB VAL 97 HB VAL 97 60.211 67.799 68.613 754 1HG1 VAL 97 3HG1 VAL 97 61.829 65.794 69.586 755 2HG1 VAL 97 2HG1 VAL 97 62.948 66.302 68.257 756 3HG1 VAL 97 1HG1 VAL 97 62.431 67.509 69.551 757 1HG2 VAL 97 1HG2 VAL 97 61.705 67.113 66.131 758 2HG2 VAL 97 3HG2 VAL 97 60.667 68.536 66.503 759 3HG2 VAL 97 2HG2 VAL 97 62.393 68.423 67.176 760 H GLN 98 H GLN 98 59.680 63.685 68.448 761 HA GLN 98 HA GLN 98 57.418 64.366 70.272 762 1HB GLN 98 2HB GLN 98 58.335 61.978 68.863 763 2HB GLN 98 1HB GLN 98 58.450 61.610 70.663 764 1HG GLN 98 2HG GLN 98 56.230 61.051 70.486 765 2HG GLN 98 1HG GLN 98 55.900 62.851 70.454 766 1HE2 GLN 98 1HE2 GLN 98 54.529 60.652 67.604 767 2HE2 GLN 98 2HE2 GLN 98 54.734 60.311 69.313 768 H LYS 99 H LYS 99 57.821 65.271 71.976 769 HA LYS 99 HA LYS 99 60.367 64.297 73.446 770 1HB LYS 99 2HB LYS 99 60.427 66.584 72.676 771 2HB LYS 99 1HB LYS 99 58.936 67.013 73.595 772 1HG LYS 99 2HG LYS 99 60.616 65.829 75.530 773 2HG LYS 99 1HG LYS 99 61.771 66.752 74.552 774 1HD LYS 99 2HD LYS 99 59.220 68.267 75.063 775 2HD LYS 99 1HD LYS 99 60.107 67.799 76.628 776 1HE LYS 99 2HE LYS 99 60.869 70.014 75.758 777 2HE LYS 99 1HE LYS 99 62.130 68.732 75.697 778 1HZ LYS 99 3HZ LYS 99 60.335 69.348 73.393 779 2HZ LYS 99 2HZ LYS 99 61.826 70.132 73.579 780 3HZ LYS 99 1HZ LYS 99 61.723 68.469 73.311 781 H GLY 100 H GLY 100 60.008 63.005 74.960 782 1HA GLY 100 1HA GLY 100 58.715 63.757 77.347 783 2HA GLY 100 2HA GLY 100 57.436 62.900 76.438 784 H GLU 101 H GLU 101 57.808 62.011 78.557 785 HA GLU 101 HA GLU 101 59.069 60.600 80.070 786 1HB GLU 101 2HB GLU 101 56.710 59.958 79.840 787 2HB GLU 101 1HB GLU 101 56.938 59.571 78.130 788 1HG GLU 101 2HG GLU 101 57.720 57.382 78.581 789 2HG GLU 101 1HG GLU 101 58.488 57.913 80.198 790 H LYS 102 H LYS 102 58.825 58.994 76.914 791 HA LYS 102 HA LYS 102 61.710 58.128 77.187 792 1HB LYS 102 2HB LYS 102 61.135 55.778 76.647 793 2HB LYS 102 1HB LYS 102 60.597 56.350 78.321 794 1HG LYS 102 2HG LYS 102 58.535 55.499 77.803 795 2HG LYS 102 1HG LYS 102 58.348 56.934 76.739 796 1HD LYS 102 2HD LYS 102 57.936 55.307 75.197 797 2HD LYS 102 1HD LYS 102 59.729 55.285 75.007 798 1HE LYS 102 2HE LYS 102 58.355 53.555 77.160 799 2HE LYS 102 1HE LYS 102 58.522 52.987 75.423 800 1HZ LYS 102 2HZ LYS 102 60.710 53.862 77.211 801 2HZ LYS 102 1HZ LYS 102 60.312 52.277 76.950 802 3HZ LYS 102 3HZ LYS 102 60.933 53.222 75.712 803 H GLU 103 H GLU 103 58.730 58.065 75.253 804 HA GLU 103 HA GLU 103 59.701 56.946 72.941 805 1HB GLU 103 2HB GLU 103 57.714 59.263 73.366 806 2HB GLU 103 1HB GLU 103 58.035 58.520 71.739 807 1HG GLU 103 2HG GLU 103 57.070 56.917 74.152 808 2HG GLU 103 1HG GLU 103 56.065 57.473 72.666 809 H ASN 104 H ASN 104 60.983 57.297 71.485 810 HA ASN 104 HA ASN 104 61.963 60.072 71.014 811 1HB ASN 104 2HB ASN 104 63.120 57.227 70.543 812 2HB ASN 104 1HB ASN 104 64.028 58.713 69.987 813 1HD2 ASN 104 1HD2 ASN 104 64.221 57.496 73.817 814 2HD2 ASN 104 2HD2 ASN 104 63.362 56.594 72.395 815 H ARG 105 H ARG 105 59.817 60.059 70.046 816 HA ARG 105 HA ARG 105 59.612 58.688 67.423 817 1HB ARG 105 2HB ARG 105 57.486 59.903 69.294 818 2HB ARG 105 1HB ARG 105 57.161 59.859 67.527 819 1HG ARG 105 2HG ARG 105 57.822 57.464 69.270 820 2HG ARG 105 1HG ARG 105 56.221 57.927 68.455 821 1HD ARG 105 2HD ARG 105 58.747 57.016 66.998 822 2HD ARG 105 1HD ARG 105 57.162 56.198 67.004 823 HE ARG 105 HE ARG 105 57.956 58.595 65.486 824 1HH1 ARG 105 2HH1 ARG 105 55.205 56.793 67.027 825 2HH1 ARG 105 1HH1 ARG 105 54.026 57.547 65.909 826 1HH2 ARG 105 1HH2 ARG 105 56.010 59.523 63.982 827 2HH2 ARG 105 2HH2 ARG 105 54.449 58.902 64.414 828 H GLY 106 H GLY 106 61.549 60.455 67.688 829 1HA GLY 106 1HA GLY 106 60.707 63.086 66.549 830 2HA GLY 106 2HA GLY 106 62.375 62.396 66.636 831 H TRP 107 H TRP 107 59.311 61.748 65.021 832 HA TRP 107 HA TRP 107 60.714 60.752 62.677 833 1HB TRP 107 2HB TRP 107 58.734 59.762 62.023 834 2HB TRP 107 1HB TRP 107 58.188 60.103 63.744 835 HD1 TRP 107 HD1 TRP 107 57.886 61.205 60.009 836 HE1 TRP 107 HE1 TRP 107 56.227 63.087 59.844 837 HE3 TRP 107 HE3 TRP 107 57.298 62.085 64.916 838 HZ2 TRP 107 HZ2 TRP 107 54.946 64.667 61.495 839 HZ3 TRP 107 HZ3 TRP 107 55.775 63.867 65.644 840 HH2 TRP 107 HH2 TRP 107 54.620 65.143 63.935 841 H LYS 108 H LYS 108 60.775 61.487 60.748 842 HA LYS 108 HA LYS 108 59.621 64.058 59.980 843 1HB LYS 108 2HB LYS 108 62.168 64.826 59.496 844 2HB LYS 108 1HB LYS 108 61.459 65.138 61.191 845 1HG LYS 108 2HG LYS 108 62.475 62.824 61.843 846 2HG LYS 108 1HG LYS 108 63.453 63.005 60.264 847 1HD LYS 108 2HD LYS 108 64.727 63.781 62.258 848 2HD LYS 108 1HD LYS 108 64.405 65.130 61.117 849 1HE LYS 108 2HE LYS 108 62.821 66.066 62.682 850 2HE LYS 108 1HE LYS 108 62.268 64.416 63.220 851 1HZ LYS 108 2HZ LYS 108 64.385 64.148 64.406 852 2HZ LYS 108 1HZ LYS 108 64.820 65.682 63.979 853 3HZ LYS 108 3HZ LYS 108 63.514 65.453 64.991 854 H GLN 109 H GLN 109 60.442 64.972 58.139 855 HA GLN 109 HA GLN 109 61.212 62.771 56.130 856 1HB GLN 109 2HB GLN 109 59.442 65.241 56.079 857 2HB GLN 109 1HB GLN 109 59.883 64.430 54.493 858 1HG GLN 109 2HG GLN 109 57.909 63.205 55.091 859 2HG GLN 109 1HG GLN 109 59.029 62.386 56.392 860 1HE2 GLN 109 1HE2 GLN 109 57.540 64.121 58.993 861 2HE2 GLN 109 2HE2 GLN 109 58.586 62.702 58.399 862 H TRP 110 H TRP 110 62.167 63.889 54.071 863 HA TRP 110 HA TRP 110 64.052 66.111 54.921 864 1HB TRP 110 2HB TRP 110 64.526 63.773 53.046 865 2HB TRP 110 1HB TRP 110 65.779 64.959 53.741 866 HD1 TRP 110 HD1 TRP 110 65.145 61.674 53.998 867 HE1 TRP 110 HE1 TRP 110 65.635 60.637 56.338 868 HE3 TRP 110 HE3 TRP 110 65.056 65.875 56.501 869 HZ2 TRP 110 HZ2 TRP 110 65.901 61.719 58.874 870 HZ3 TRP 110 HZ3 TRP 110 65.416 65.952 58.919 871 HH2 TRP 110 HH2 TRP 110 65.844 63.858 60.096 872 H VAL 111 H VAL 111 62.881 64.326 52.123 873 HA VAL 111 HA VAL 111 62.211 65.004 49.962 874 HB VAL 111 HB VAL 111 62.850 67.919 50.743 875 1HG1 VAL 111 3HG1 VAL 111 62.228 67.240 48.388 876 2HG1 VAL 111 2HG1 VAL 111 60.595 66.777 48.994 877 3HG1 VAL 111 1HG1 VAL 111 61.176 68.483 49.144 878 1HG2 VAL 111 3HG2 VAL 111 61.120 66.515 52.443 879 2HG2 VAL 111 2HG2 VAL 111 60.992 68.315 52.009 880 3HG2 VAL 111 1HG2 VAL 111 59.960 67.120 51.175 881 H GLU 112 H GLU 112 64.440 64.065 50.757 882 HA GLU 112 HA GLU 112 66.601 65.528 49.394 883 1HB GLU 112 2HB GLU 112 67.480 64.922 51.465 884 2HB GLU 112 1HB GLU 112 66.190 63.749 51.766 885 1HG GLU 112 2HG GLU 112 68.182 62.498 51.742 886 2HG GLU 112 1HG GLU 112 67.390 62.221 50.081 887 H GLY 113 H GLY 113 67.375 64.758 47.590 888 1HA GLY 113 1HA GLY 113 67.511 63.548 45.530 889 2HA GLY 113 2HA GLY 113 67.663 62.104 46.584 890 H ASP 114 H ASP 114 65.234 64.267 45.326 891 HA ASP 114 HA ASP 114 63.342 64.035 44.136 892 1HB ASP 114 2HB ASP 114 64.361 61.140 43.936 893 2HB ASP 114 1HB ASP 114 62.651 61.640 43.356 894 H LYS 115 H LYS 115 63.613 61.430 46.674 895 HA LYS 115 HA LYS 115 60.685 61.686 47.142 896 1HB LYS 115 2HB LYS 115 60.881 59.453 48.194 897 2HB LYS 115 1HB LYS 115 61.792 59.470 46.629 898 1HG LYS 115 2HG LYS 115 63.867 60.181 48.172 899 2HG LYS 115 1HG LYS 115 62.779 59.606 49.483 900 1HD LYS 115 2HD LYS 115 64.122 57.562 48.667 901 2HD LYS 115 1HD LYS 115 62.497 57.456 47.860 902 1HE LYS 115 2HE LYS 115 64.350 57.051 46.346 903 2HE LYS 115 1HE LYS 115 63.374 58.550 45.930 904 1HZ LYS 115 2HZ LYS 115 65.394 59.720 47.108 905 2HZ LYS 115 1HZ LYS 115 66.137 58.192 46.989 906 3HZ LYS 115 3HZ LYS 115 65.707 59.049 45.628 907 H LEU 116 H LEU 116 60.442 60.993 49.732 908 HA LEU 116 HA LEU 116 62.368 62.810 51.078 909 1HB LEU 116 2HB LEU 116 60.270 63.617 52.510 910 2HB LEU 116 1HB LEU 116 60.646 64.519 51.002 911 HG LEU 116 HG LEU 116 59.053 63.228 49.747 912 1HD1 LEU 116 2HD1 LEU 116 58.993 61.211 51.209 913 2HD1 LEU 116 1HD1 LEU 116 58.163 62.145 52.528 914 3HD1 LEU 116 3HD1 LEU 116 57.266 61.886 50.993 915 1HD2 LEU 116 3HD2 LEU 116 58.026 64.579 52.326 916 2HD2 LEU 116 2HD2 LEU 116 58.369 65.471 50.777 917 3HD2 LEU 116 1HD2 LEU 116 56.990 64.275 50.887 918 H TYR 117 H TYR 117 62.968 60.608 51.267 919 HA TYR 117 HA TYR 117 61.552 58.688 52.543 920 1HB TYR 117 2HB TYR 117 63.964 58.616 54.093 921 2HB TYR 117 1HB TYR 117 63.466 57.647 52.617 922 HD1 TYR 117 HD1 TYR 117 63.994 58.404 50.306 923 HD2 TYR 117 HD2 TYR 117 66.109 60.096 53.665 924 HE1 TYR 117 HE1 TYR 117 65.790 59.035 48.861 925 HE2 TYR 117 HE2 TYR 117 67.871 60.708 52.212 926 HH TYR 117 HH TYR 117 67.578 60.608 48.711 927 H LEU 118 H LEU 118 60.754 57.899 54.132 928 HA LEU 118 HA LEU 118 60.328 59.876 56.298 929 1HB LEU 118 2HB LEU 118 58.681 58.185 54.863 930 2HB LEU 118 1HB LEU 118 58.840 57.171 56.341 931 HG LEU 118 HG LEU 118 57.707 60.002 56.434 932 1HD1 LEU 118 2HD1 LEU 118 56.556 57.154 56.748 933 2HD1 LEU 118 1HD1 LEU 118 55.808 58.704 57.343 934 3HD1 LEU 118 3HD1 LEU 118 56.079 58.472 55.596 935 1HD2 LEU 118 1HD2 LEU 118 59.189 59.097 58.542 936 2HD2 LEU 118 3HD2 LEU 118 57.521 59.700 58.767 937 3HD2 LEU 118 2HD2 LEU 118 57.842 57.877 58.657 938 H GLU 119 H GLU 119 62.552 59.613 56.787 939 HA GLU 119 HA GLU 119 63.450 57.263 58.230 940 1HB GLU 119 2HB GLU 119 64.849 58.944 56.801 941 2HB GLU 119 1HB GLU 119 64.642 60.081 58.189 942 1HG GLU 119 2HG GLU 119 65.378 58.242 59.787 943 2HG GLU 119 1HG GLU 119 65.915 57.304 58.269 944 H LEU 120 H LEU 120 63.067 56.852 60.290 945 HA LEU 120 HA LEU 120 62.555 59.230 62.084 946 1HB LEU 120 2HB LEU 120 60.520 58.538 62.866 947 2HB LEU 120 1HB LEU 120 60.448 58.545 61.031 948 HG LEU 120 HG LEU 120 61.337 55.931 61.753 949 1HD1 LEU 120 3HD1 LEU 120 59.093 57.039 63.578 950 2HD1 LEU 120 2HD1 LEU 120 58.996 55.335 63.035 951 3HD1 LEU 120 1HD1 LEU 120 60.451 55.956 64.014 952 1HD2 LEU 120 1HD2 LEU 120 59.663 56.732 59.852 953 2HD2 LEU 120 3HD2 LEU 120 59.256 55.155 60.696 954 3HD2 LEU 120 2HD2 LEU 120 58.345 56.685 61.013 955 H THR 121 H THR 121 61.885 58.449 64.341 956 HA THR 121 HA THR 121 63.656 56.162 65.205 957 HB THR 121 HB THR 121 63.356 58.913 66.416 958 HG1 THR 121 1HG THR 121 65.733 57.839 65.460 959 1HG2 THR 121 3HG2 THR 121 64.641 56.238 67.366 960 2HG2 THR 121 2HG2 THR 121 65.632 57.750 67.607 961 3HG2 THR 121 1HG2 THR 121 64.047 57.566 68.402 962 H CYS 122 H CYS 122 62.851 55.278 67.376 963 HA CYS 122 HA CYS 122 60.249 56.079 68.355 964 1HB CYS 122 2HB CYS 122 59.605 53.469 67.550 965 2HB CYS 122 1HB CYS 122 58.988 54.831 66.665 966 HG CYS 122 HG CYS 122 59.870 53.173 64.830 967 H GLY 123 H GLY 123 60.791 55.823 70.214 968 1HA GLY 123 1HA GLY 123 61.990 54.914 72.140 969 2HA GLY 123 2HA GLY 123 60.463 53.991 72.021 970 H ASP 124 H ASP 124 63.767 54.101 70.988 971 HA ASP 124 HA ASP 124 65.451 52.510 71.301 972 1HB ASP 124 2HB ASP 124 63.263 50.331 70.941 973 2HB ASP 124 1HB ASP 124 65.033 50.079 71.336 974 H GLN 125 H GLN 125 62.772 51.605 69.153 975 HA GLN 125 HA GLN 125 64.732 50.841 67.052 976 1HB GLN 125 2HB GLN 125 61.727 51.482 66.785 977 2HB GLN 125 1HB GLN 125 62.695 50.623 65.581 978 1HG GLN 125 2HG GLN 125 61.735 49.494 68.243 979 2HG GLN 125 1HG GLN 125 61.746 48.833 66.524 980 1HE2 GLN 125 2HE2 GLN 125 65.153 47.923 66.443 981 2HE2 GLN 125 1HE2 GLN 125 63.651 48.582 65.523 982 H VAL 126 H VAL 126 64.477 51.552 65.008 983 HA VAL 126 HA VAL 126 64.087 54.440 64.406 984 HB VAL 126 HB VAL 126 66.510 54.103 63.203 985 1HG1 VAL 126 2HG1 VAL 126 66.242 54.148 66.254 986 2HG1 VAL 126 1HG1 VAL 126 67.657 54.770 65.304 987 3HG1 VAL 126 3HG1 VAL 126 66.093 55.629 65.123 988 1HG2 VAL 126 2HG2 VAL 126 66.421 51.510 63.875 989 2HG2 VAL 126 1HG2 VAL 126 67.945 52.420 64.180 990 3HG2 VAL 126 3HG2 VAL 126 66.837 52.050 65.535 991 H CYS 127 H CYS 127 62.552 54.144 62.970 992 HA CYS 127 HA CYS 127 62.441 51.879 61.041 993 1HB CYS 127 2HB CYS 127 60.742 54.067 61.824 994 2HB CYS 127 1HB CYS 127 61.201 54.462 60.156 995 HG CYS 127 HG CYS 127 60.177 52.380 59.013 996 H ARG 128 H ARG 128 62.323 52.365 58.701 997 HA ARG 128 HA ARG 128 64.583 54.296 58.108 998 1HB ARG 128 2HB ARG 128 65.413 51.869 58.646 999 2HB ARG 128 1HB ARG 128 64.996 51.587 56.858 1000 1HG ARG 128 2HG ARG 128 67.326 52.288 57.023 1001 2HG ARG 128 1HG ARG 128 66.365 53.452 56.121 1002 1HD ARG 128 2HD ARG 128 66.920 55.082 57.678 1003 2HD ARG 128 1HD ARG 128 66.350 54.034 59.070 1004 HE ARG 128 HE ARG 128 68.564 53.395 59.426 1005 1HH1 ARG 128 2HH2 ARG 128 68.238 54.906 56.248 1006 2HH1 ARG 128 1HH2 ARG 128 69.942 54.966 55.927 1007 1HH2 ARG 128 2HH1 ARG 128 70.810 53.419 59.067 1008 2HH2 ARG 128 1HH1 ARG 128 71.506 54.063 57.604 1009 H GLN 129 H GLN 129 62.555 55.230 57.446 1010 HA GLN 129 HA GLN 129 61.489 56.226 55.712 1011 1HB GLN 129 2HB GLN 129 63.546 55.096 53.716 1012 2HB GLN 129 1HB GLN 129 62.875 56.798 54.034 1013 1HG GLN 129 2HG GLN 129 63.894 57.005 56.110 1014 2HG GLN 129 1HG GLN 129 64.805 55.427 56.006 1015 1HE2 GLN 129 1HE2 GLN 129 67.171 58.122 55.003 1016 2HE2 GLN 129 2HE2 GLN 129 66.316 57.761 56.473 1017 H VAL 130 H VAL 130 61.184 55.991 52.954 1018 HA VAL 130 HA VAL 130 60.424 53.273 52.372 1019 HB VAL 130 HB VAL 130 57.871 54.217 52.133 1020 1HG1 VAL 130 1HG1 VAL 130 59.013 52.516 54.024 1021 2HG1 VAL 130 3HG1 VAL 130 58.500 53.871 55.102 1022 3HG1 VAL 130 2HG1 VAL 130 57.253 53.004 54.043 1023 1HG2 VAL 130 1HG2 VAL 130 59.063 56.162 54.134 1024 2HG2 VAL 130 3HG2 VAL 130 57.797 56.365 52.807 1025 3HG2 VAL 130 2HG2 VAL 130 57.413 55.557 54.386 1026 H PHE 131 H PHE 131 59.599 56.686 52.046 1027 HA PHE 131 HA PHE 131 58.093 57.052 49.949 1028 1HB PHE 131 2HB PHE 131 60.469 58.666 50.980 1029 2HB PHE 131 1HB PHE 131 59.489 59.236 49.550 1030 HD1 PHE 131 HD2 PHE 131 57.021 58.661 49.674 1031 HD2 PHE 131 HD1 PHE 131 59.525 59.286 53.106 1032 HE1 PHE 131 HE2 PHE 131 55.077 59.130 51.048 1033 HE2 PHE 131 HE1 PHE 131 57.513 59.777 54.553 1034 HZ PHE 131 HZ PHE 131 55.321 59.657 53.458 1035 H LYS 132 H LYS 132 58.124 58.130 48.142 1036 HA LYS 132 HA LYS 132 60.056 57.803 45.985 1037 1HB LYS 132 2HB LYS 132 58.723 55.452 46.664 1038 2HB LYS 132 1HB LYS 132 57.325 56.303 45.996 1039 1HG LYS 132 2HG LYS 132 59.912 55.336 44.704 1040 2HG LYS 132 1HG LYS 132 58.162 54.987 44.154 1041 1HD LYS 132 2HD LYS 132 58.734 56.387 42.529 1042 2HD LYS 132 1HD LYS 132 58.059 57.626 43.714 1043 1HE LYS 132 2HE LYS 132 59.990 58.750 43.699 1044 2HE LYS 132 1HE LYS 132 60.900 57.232 44.135 1045 1HZ LYS 132 3HZ LYS 132 60.393 56.927 41.486 1046 2HZ LYS 132 2HZ LYS 132 60.506 58.597 41.576 1047 3HZ LYS 132 1HZ LYS 132 61.774 57.585 42.036 1048 H LYS 133 H LYS 133 59.656 59.852 45.392 1049 HA LYS 133 HA LYS 133 57.077 61.245 45.774 1050 1HB LYS 133 2HB LYS 133 59.327 62.286 45.399 1051 2HB LYS 133 1HB LYS 133 59.071 61.893 43.636 1052 1HG LYS 133 2HG LYS 133 56.902 63.034 43.657 1053 2HG LYS 133 1HG LYS 133 57.087 63.323 45.490 1054 1HD LYS 133 2HD LYS 133 57.595 65.429 44.085 1055 2HD LYS 133 1HD LYS 133 59.067 64.734 44.927 1056 1HE LYS 133 2HE LYS 133 59.872 63.696 43.027 1057 2HE LYS 133 1HE LYS 133 58.243 63.676 42.181 1058 1HZ LYS 133 2HZ LYS 133 58.789 66.347 42.408 1059 2HZ LYS 133 1HZ LYS 133 60.312 65.727 42.308 1060 3HZ LYS 133 3HZ LYS 133 59.256 65.375 41.079 1061 H LYS 134 H LYS 134 55.779 59.286 44.831 1062 HA LYS 134 HA LYS 134 54.327 58.551 43.188 1063 1HB LYS 134 2HB LYS 134 55.059 61.355 42.005 1064 2HB LYS 134 1HB LYS 134 53.858 60.254 41.256 1065 1HG LYS 134 2HG LYS 134 52.338 60.788 42.893 1066 2HG LYS 134 1HG LYS 134 53.567 60.887 44.260 1067 1HD LYS 134 2HD LYS 134 54.074 63.102 43.701 1068 2HD LYS 134 1HD LYS 134 53.742 62.861 41.920 1069 1HE LYS 134 2HE LYS 134 51.288 62.465 42.596 1070 2HE LYS 134 1HE LYS 134 51.715 63.301 44.167 1071 1HZ LYS 134 2HZ LYS 134 52.550 65.166 42.846 1072 2HZ LYS 134 1HZ LYS 134 51.949 64.450 41.433 1073 3HZ LYS 134 3HZ LYS 134 50.951 64.945 42.666 No H/Q in entry = 1073 Start of MODEL 24 1 1H MET 1 2H MET 1 59.539 77.938 47.275 2 2H MET 1 1H MET 1 58.895 78.258 45.752 3 3H MET 1 3H MET 1 58.700 76.778 46.378 4 HA MET 1 HA MET 1 60.420 76.147 45.104 5 1HB MET 1 2HB MET 1 62.134 77.854 44.309 6 2HB MET 1 1HB MET 1 60.478 78.398 43.889 7 1HG MET 1 2HG MET 1 60.387 79.982 45.718 8 2HG MET 1 1HG MET 1 61.656 79.263 46.641 9 1HE MET 1 3HE MET 1 61.358 82.095 46.238 10 2HE MET 1 2HE MET 1 62.656 82.891 45.477 11 3HE MET 1 1HE MET 1 61.213 82.509 44.437 12 H THR 2 H THR 2 60.223 76.237 47.994 13 HA THR 2 HA THR 2 63.080 75.546 48.558 14 HB THR 2 HB THR 2 61.472 77.724 50.136 15 HG1 THR 2 1HG THR 2 63.422 77.899 48.267 16 1HG2 THR 2 1HG2 THR 2 64.094 76.041 50.487 17 2HG2 THR 2 3HG2 THR 2 64.166 77.666 51.156 18 3HG2 THR 2 2HG2 THR 2 62.948 76.434 51.767 19 H LYS 3 H LYS 3 59.852 76.292 49.925 20 HA LYS 3 HA LYS 3 60.237 74.367 52.085 21 1HB LYS 3 2HB LYS 3 58.393 76.387 51.517 22 2HB LYS 3 1HB LYS 3 57.382 74.881 51.369 23 1HG LYS 3 2HG LYS 3 57.339 75.309 53.752 24 2HG LYS 3 1HG LYS 3 58.721 74.150 53.525 25 1HD LYS 3 2HD LYS 3 60.302 75.889 53.973 26 2HD LYS 3 1HD LYS 3 59.295 77.125 53.154 27 1HE LYS 3 2HE LYS 3 58.318 75.910 55.740 28 2HE LYS 3 1HE LYS 3 59.629 77.171 55.817 29 1HZ LYS 3 2HZ LYS 3 57.325 77.706 54.037 30 2HZ LYS 3 1HZ LYS 3 57.000 77.897 55.617 31 3HZ LYS 3 3HZ LYS 3 58.236 78.775 55.002 32 H ASP 4 H ASP 4 57.664 73.041 52.096 33 HA ASP 4 HA ASP 4 58.562 70.686 50.682 34 1HB ASP 4 2HB ASP 4 56.477 71.250 52.702 35 2HB ASP 4 1HB ASP 4 55.779 70.321 51.315 36 H GLN 5 H GLN 5 56.254 69.633 49.366 37 HA GLN 5 HA GLN 5 55.619 71.779 47.408 38 1HB GLN 5 2HB GLN 5 56.237 68.710 47.100 39 2HB GLN 5 1HB GLN 5 55.860 69.846 45.721 40 1HG GLN 5 2HG GLN 5 58.067 70.822 47.434 41 2HG GLN 5 1HG GLN 5 58.401 69.248 46.481 42 1HE2 GLN 5 2HE2 GLN 5 58.718 70.578 43.394 43 2HE2 GLN 5 1HE2 GLN 5 58.782 69.213 44.509 44 H ASN 6 H ASN 6 53.998 69.491 46.163 45 HA ASN 6 HA ASN 6 51.916 68.823 48.124 46 1HB ASN 6 2HB ASN 6 50.930 70.024 45.480 47 2HB ASN 6 1HB ASN 6 50.106 70.038 47.141 48 1HD2 ASN 6 2HD2 ASN 6 51.416 73.034 48.264 49 2HD2 ASN 6 1HD2 ASN 6 50.582 71.368 48.596 50 H GLY 7 H GLY 7 50.962 66.894 47.661 51 1HA GLY 7 1HA GLY 7 50.490 66.087 44.979 52 2HA GLY 7 2HA GLY 7 52.167 65.564 45.432 53 H THR 8 H THR 8 52.256 63.710 46.016 54 HA THR 8 HA THR 8 50.924 62.216 47.973 55 HB THR 8 HB THR 8 49.447 62.208 45.377 56 HG1 THR 8 1HG THR 8 48.209 62.171 47.036 57 1HG2 THR 8 3HG2 THR 8 50.563 59.606 46.833 58 2HG2 THR 8 2HG2 THR 8 49.315 59.522 45.558 59 3HG2 THR 8 1HG2 THR 8 51.017 60.028 45.152 60 H TRP 9 H TRP 9 51.886 60.310 48.121 61 HA TRP 9 HA TRP 9 54.094 59.661 46.229 62 1HB TRP 9 2HB TRP 9 55.067 59.680 49.080 63 2HB TRP 9 1HB TRP 9 55.973 59.879 47.554 64 HD1 TRP 9 HD1 TRP 9 53.023 61.900 49.131 65 HE1 TRP 9 HE1 TRP 9 53.530 64.337 49.335 66 HE3 TRP 9 HE3 TRP 9 57.589 61.580 47.356 67 HZ2 TRP 9 HZ2 TRP 9 55.719 65.901 48.759 68 HZ3 TRP 9 HZ3 TRP 9 58.930 63.648 47.197 69 HH2 TRP 9 HH2 TRP 9 58.045 65.744 47.867 70 H GLU 10 H GLU 10 54.026 57.581 45.682 71 HA GLU 10 HA GLU 10 52.844 55.793 47.684 72 1HB GLU 10 2HB GLU 10 54.316 54.924 45.034 73 2HB GLU 10 1HB GLU 10 53.051 54.036 45.997 74 1HG GLU 10 2HG GLU 10 51.951 56.631 45.393 75 2HG GLU 10 1HG GLU 10 52.916 56.122 43.918 76 H MET 11 H MET 11 54.245 55.745 49.382 77 HA MET 11 HA MET 11 56.974 55.853 49.786 78 1HB MET 11 2HB MET 11 54.766 54.949 51.314 79 2HB MET 11 1HB MET 11 55.510 53.397 50.818 80 1HG MET 11 2HG MET 11 57.662 53.932 51.917 81 2HG MET 11 1HG MET 11 57.128 55.615 52.119 82 1HE MET 11 2HE MET 11 55.119 56.244 53.897 83 2HE MET 11 1HE MET 11 53.976 54.935 53.238 84 3HE MET 11 3HE MET 11 54.329 55.161 54.976 85 H GLU 12 H GLU 12 55.257 53.035 48.499 86 HA GLU 12 HA GLU 12 56.026 51.653 46.807 87 1HB GLU 12 2HB GLU 12 57.904 53.360 46.198 88 2HB GLU 12 1HB GLU 12 58.875 52.444 47.443 89 1HG GLU 12 2HG GLU 12 59.184 50.654 46.147 90 2HG GLU 12 1HG GLU 12 57.421 50.797 45.407 91 H SER 13 H SER 13 58.498 51.976 49.343 92 HA SER 13 HA SER 13 57.982 49.140 50.239 93 1HB SER 13 2HB SER 13 60.692 50.011 50.793 94 2HB SER 13 1HB SER 13 60.258 48.729 49.540 95 HG SER 13 HG SER 13 61.418 50.502 48.712 96 H ASN 14 H ASN 14 59.397 48.822 52.169 97 HA ASN 14 HA ASN 14 59.684 51.030 54.045 98 1HB ASN 14 2HB ASN 14 57.837 49.364 55.472 99 2HB ASN 14 1HB ASN 14 57.428 51.000 54.653 100 1HD2 ASN 14 2HD2 ASN 14 56.888 47.372 52.644 101 2HD2 ASN 14 1HD2 ASN 14 58.258 47.664 53.927 102 H GLU 15 H GLU 15 60.268 50.743 55.927 103 HA GLU 15 HA GLU 15 61.418 48.006 56.373 104 1HB GLU 15 2HB GLU 15 63.515 49.182 55.973 105 2HB GLU 15 1HB GLU 15 62.812 50.762 56.370 106 1HG GLU 15 2HG GLU 15 63.177 50.526 58.676 107 2HG GLU 15 1HG GLU 15 63.291 48.667 58.553 108 H ASN 16 H ASN 16 61.606 47.293 58.448 109 HA ASN 16 HA ASN 16 60.674 46.835 60.549 110 1HB ASN 16 2HB ASN 16 62.708 48.394 60.823 111 2HB ASN 16 1HB ASN 16 61.456 49.729 61.133 112 1HD2 ASN 16 1HD2 ASN 16 61.334 48.665 64.498 113 2HD2 ASN 16 2HD2 ASN 16 61.516 50.067 63.231 114 H PHE 17 H PHE 17 58.606 46.697 60.093 115 HA PHE 17 HA PHE 17 56.914 49.117 60.933 116 1HB PHE 17 2HB PHE 17 55.057 47.856 59.791 117 2HB PHE 17 1HB PHE 17 56.334 48.533 58.671 118 HD1 PHE 17 HD1 PHE 17 58.076 46.880 57.781 119 HD2 PHE 17 HD2 PHE 17 54.643 45.558 59.991 120 HE1 PHE 17 HE1 PHE 17 58.387 44.573 57.012 121 HE2 PHE 17 HE2 PHE 17 54.977 43.247 59.210 122 HZ PHE 17 HZ PHE 17 56.841 42.698 57.709 123 H GLU 18 H GLU 18 57.411 45.673 61.164 124 HA GLU 18 HA GLU 18 55.381 45.277 63.349 125 1HB GLU 18 2HB GLU 18 56.005 43.266 61.942 126 2HB GLU 18 1HB GLU 18 57.760 43.698 62.075 127 1HG GLU 18 2HG GLU 18 57.889 43.034 64.345 128 2HG GLU 18 1HG GLU 18 56.031 42.853 64.504 129 H GLY 19 H GLY 19 58.826 45.828 63.058 130 1HA GLY 19 1HA GLY 19 59.178 45.292 65.951 131 2HA GLY 19 2HA GLY 19 60.445 45.953 64.821 132 H TYR 20 H TYR 20 58.368 47.958 63.810 133 HA TYR 20 HA TYR 20 58.938 50.123 65.736 134 1HB TYR 20 2HB TYR 20 58.766 50.817 63.433 135 2HB TYR 20 1HB TYR 20 57.375 49.645 63.167 136 HD1 TYR 20 HD1 TYR 20 58.234 52.752 64.955 137 HD2 TYR 20 HD2 TYR 20 55.249 50.266 63.229 138 HE1 TYR 20 HE1 TYR 20 56.624 54.589 65.338 139 HE2 TYR 20 HE2 TYR 20 53.526 52.067 63.560 140 HH TYR 20 HH TYR 20 54.364 55.242 64.227 141 H MET 21 H MET 21 56.283 47.824 65.071 142 HA MET 21 HA MET 21 54.404 49.368 66.784 143 1HB MET 21 2HB MET 21 54.506 46.846 65.025 144 2HB MET 21 1HB MET 21 53.487 46.767 66.487 145 1HG MET 21 2HG MET 21 52.206 48.754 65.720 146 2HG MET 21 1HG MET 21 53.434 49.272 64.594 147 1HE MET 21 3HE MET 21 50.691 49.395 63.973 148 2HE MET 21 2HE MET 21 51.633 49.516 62.582 149 3HE MET 21 1HE MET 21 50.167 48.365 62.589 150 H LYS 22 H LYS 22 56.766 47.073 66.993 151 HA LYS 22 HA LYS 22 56.084 45.981 69.629 152 1HB LYS 22 2HB LYS 22 58.484 45.675 67.733 153 2HB LYS 22 1HB LYS 22 58.618 45.242 69.508 154 1HG LYS 22 2HG LYS 22 56.230 44.071 68.924 155 2HG LYS 22 1HG LYS 22 57.046 44.006 67.272 156 1HD LYS 22 2HD LYS 22 58.386 43.199 69.964 157 2HD LYS 22 1HD LYS 22 57.559 41.965 68.886 158 1HE LYS 22 2HE LYS 22 59.174 43.314 67.053 159 2HE LYS 22 1HE LYS 22 60.151 43.594 68.541 160 1HZ LYS 22 2HZ LYS 22 59.141 40.962 67.608 161 2HZ LYS 22 1HZ LYS 22 60.685 41.548 67.328 162 3HZ LYS 22 3HZ LYS 22 60.154 41.151 68.886 163 H ALA 23 H ALA 23 57.890 48.536 68.392 164 HA ALA 23 HA ALA 23 59.537 48.883 70.767 165 1HB ALA 23 1HB ALA 23 59.643 50.069 68.240 166 2HB ALA 23 3HB ALA 23 59.063 51.413 69.269 167 3HB ALA 23 2HB ALA 23 60.613 50.569 69.705 168 H LEU 24 H LEU 24 56.637 50.309 69.521 169 HA LEU 24 HA LEU 24 56.126 51.961 71.943 170 1HB LEU 24 2HB LEU 24 54.387 53.084 70.590 171 2HB LEU 24 1HB LEU 24 55.750 52.665 69.459 172 HG LEU 24 HG LEU 24 54.279 50.422 68.963 173 1HD1 LEU 24 1HD1 LEU 24 52.482 52.121 70.669 174 2HD1 LEU 24 3HD1 LEU 24 51.843 51.265 69.161 175 3HD1 LEU 24 2HD1 LEU 24 52.571 50.331 70.508 176 1HD2 LEU 24 1HD2 LEU 24 54.793 52.486 67.490 177 2HD2 LEU 24 3HD2 LEU 24 53.361 51.447 67.122 178 3HD2 LEU 24 2HD2 LEU 24 53.150 53.063 67.963 179 H ASP 25 H ASP 25 55.842 49.054 70.876 180 HA ASP 25 HA ASP 25 54.641 47.071 71.122 181 1HB ASP 25 2HB ASP 25 55.998 47.859 73.333 182 2HB ASP 25 1HB ASP 25 54.320 47.912 74.033 183 H ILE 26 H ILE 26 52.934 47.482 70.045 184 HA ILE 26 HA ILE 26 50.408 48.266 71.452 185 HB ILE 26 HB ILE 26 51.152 49.528 69.420 186 1HG1 ILE 26 2HG1 ILE 26 48.816 47.891 68.470 187 2HG1 ILE 26 1HG1 ILE 26 48.750 48.904 70.007 188 1HG2 ILE 26 1HG2 ILE 26 51.386 46.768 68.305 189 2HG2 ILE 26 3HG2 ILE 26 50.493 47.923 67.246 190 3HG2 ILE 26 2HG2 ILE 26 52.232 48.267 67.761 191 1HD1 ILE 26 2HD1 ILE 26 49.811 50.020 67.273 192 2HD1 ILE 26 1HD1 ILE 26 48.087 50.177 67.751 193 3HD1 ILE 26 3HD1 ILE 26 49.411 50.903 68.787 194 H ASP 27 H ASP 27 51.642 45.915 72.076 195 HA ASP 27 HA ASP 27 51.025 43.866 72.563 196 1HB ASP 27 2HB ASP 27 48.557 44.861 71.888 197 2HB ASP 27 1HB ASP 27 48.770 43.463 70.621 198 H PHE 28 H PHE 28 51.711 41.887 72.026 199 HA PHE 28 HA PHE 28 53.164 41.800 69.510 200 1HB PHE 28 2HB PHE 28 52.470 39.568 71.566 201 2HB PHE 28 1HB PHE 28 53.762 39.508 70.273 202 HD1 PHE 28 HD1 PHE 28 55.253 41.812 70.335 203 HD2 PHE 28 HD2 PHE 28 53.235 40.029 73.728 204 HE1 PHE 28 HE1 PHE 28 56.828 42.983 71.902 205 HE2 PHE 28 HE2 PHE 28 54.793 41.173 75.227 206 HZ PHE 28 HZ PHE 28 56.570 42.650 74.379 207 H ALA 29 H ALA 29 52.942 40.859 67.751 208 HA ALA 29 HA ALA 29 51.946 39.864 65.867 209 1HB ALA 29 3HB ALA 29 51.512 38.051 67.843 210 2HB ALA 29 2HB ALA 29 49.809 38.693 67.816 211 3HB ALA 29 1HB ALA 29 50.531 37.887 66.342 212 H THR 30 H THR 30 51.810 41.903 65.590 213 HA THR 30 HA THR 30 49.026 42.623 64.955 214 HB THR 30 HB THR 30 51.025 44.526 66.330 215 HG1 THR 30 1HG THR 30 50.176 43.425 67.932 216 1HG2 THR 30 1HG2 THR 30 48.439 44.798 64.780 217 2HG2 THR 30 3HG2 THR 30 48.345 45.476 66.475 218 3HG2 THR 30 2HG2 THR 30 49.563 46.119 65.295 219 H ARG 31 H ARG 31 50.805 41.457 63.531 220 HA ARG 31 HA ARG 31 51.357 43.315 61.209 221 1HB ARG 31 2HB ARG 31 53.637 42.713 60.916 222 2HB ARG 31 1HB ARG 31 53.403 43.250 62.615 223 1HG ARG 31 2HG ARG 31 53.356 40.237 61.902 224 2HG ARG 31 1HG ARG 31 54.896 41.173 62.196 225 1HD ARG 31 2HD ARG 31 53.590 42.037 64.339 226 2HD ARG 31 1HD ARG 31 52.445 40.620 64.092 227 HE ARG 31 HE ARG 31 55.197 40.561 64.993 228 1HH1 ARG 31 1HH1 ARG 31 52.340 38.750 63.688 229 2HH1 ARG 31 2HH1 ARG 31 52.938 37.221 64.344 230 1HH2 ARG 31 2HH2 ARG 31 55.828 38.396 65.809 231 2HH2 ARG 31 1HH2 ARG 31 54.845 36.976 65.498 232 H LYS 32 H LYS 32 52.546 41.591 59.533 233 HA LYS 32 HA LYS 32 52.291 39.788 58.212 234 1HB LYS 32 2HB LYS 32 52.299 38.430 60.339 235 2HB LYS 32 1HB LYS 32 50.480 38.564 60.358 236 1HG LYS 32 2HG LYS 32 50.292 36.917 58.805 237 2HG LYS 32 1HG LYS 32 51.467 37.640 57.687 238 1HD LYS 32 2HD LYS 32 53.380 36.598 58.711 239 2HD LYS 32 1HD LYS 32 52.509 36.421 60.283 240 1HE LYS 32 2HE LYS 32 52.513 34.165 59.442 241 2HE LYS 32 1HE LYS 32 50.889 34.776 59.000 242 1HZ LYS 32 3HZ LYS 32 51.732 35.552 56.906 243 2HZ LYS 32 2HZ LYS 32 53.219 34.890 57.170 244 3HZ LYS 32 1HZ LYS 32 51.901 33.896 56.968 245 H ILE 33 H ILE 33 50.794 42.156 58.297 246 HA ILE 33 HA ILE 33 48.850 41.219 56.338 247 HB ILE 33 HB ILE 33 47.462 42.963 58.338 248 1HG1 ILE 33 2HG1 ILE 33 47.866 40.054 59.210 249 2HG1 ILE 33 1HG1 ILE 33 48.868 41.464 59.849 250 1HG2 ILE 33 1HG2 ILE 33 46.298 41.781 56.371 251 2HG2 ILE 33 3HG2 ILE 33 46.516 40.219 57.190 252 3HG2 ILE 33 2HG2 ILE 33 45.542 41.485 58.009 253 1HD1 ILE 33 2HD1 ILE 33 46.258 42.395 59.812 254 2HD1 ILE 33 1HD1 ILE 33 46.066 40.721 60.564 255 3HD1 ILE 33 3HD1 ILE 33 47.219 41.949 61.275 256 H ALA 34 H ALA 34 49.445 44.086 58.493 257 HA ALA 34 HA ALA 34 48.952 45.949 56.200 258 1HB ALA 34 1HB ALA 34 48.415 46.332 58.896 259 2HB ALA 34 3HB ALA 34 50.120 46.962 58.833 260 3HB ALA 34 2HB ALA 34 48.850 47.607 57.736 261 H VAL 35 H VAL 35 50.945 44.302 55.478 262 HA VAL 35 HA VAL 35 53.580 45.345 56.177 263 HB VAL 35 HB VAL 35 52.382 43.673 53.907 264 1HG1 VAL 35 2HG1 VAL 35 54.967 45.137 53.778 265 2HG1 VAL 35 1HG1 VAL 35 55.301 43.384 54.106 266 3HG1 VAL 35 3HG1 VAL 35 54.344 43.824 52.678 267 1HG2 VAL 35 2HG2 VAL 35 52.835 43.056 56.454 268 2HG2 VAL 35 1HG2 VAL 35 53.038 41.847 55.093 269 3HG2 VAL 35 3HG2 VAL 35 54.508 42.682 55.811 270 H ARG 36 H ARG 36 51.316 45.600 53.683 271 HA ARG 36 HA ARG 36 51.353 48.252 52.943 272 1HB ARG 36 2HB ARG 36 53.743 48.278 52.473 273 2HB ARG 36 1HB ARG 36 53.534 46.712 51.516 274 1HG ARG 36 2HG ARG 36 51.763 49.006 50.605 275 2HG ARG 36 1HG ARG 36 53.582 49.246 50.404 276 1HD ARG 36 2HD ARG 36 53.821 47.618 48.962 277 2HD ARG 36 1HD ARG 36 52.618 46.509 49.627 278 HE ARG 36 HE ARG 36 51.032 48.531 48.646 279 1HH1 ARG 36 2HH2 ARG 36 53.902 46.898 47.142 280 2HH1 ARG 36 1HH2 ARG 36 53.334 47.220 45.520 281 1HH2 ARG 36 2HH1 ARG 36 50.379 48.875 46.448 282 2HH2 ARG 36 1HH1 ARG 36 51.433 48.270 45.126 283 H LEU 37 H LEU 37 49.967 48.636 51.702 284 HA LEU 37 HA LEU 37 49.250 46.968 49.346 285 1HB LEU 37 2HB LEU 37 46.680 47.347 50.408 286 2HB LEU 37 1HB LEU 37 47.634 45.873 50.769 287 HG LEU 37 HG LEU 37 48.166 48.247 52.555 288 1HD1 LEU 37 2HD1 LEU 37 45.672 46.611 52.248 289 2HD1 LEU 37 1HD1 LEU 37 46.280 46.604 53.924 290 3HD1 LEU 37 3HD1 LEU 37 45.901 48.199 53.158 291 1HD2 LEU 37 3HD2 LEU 37 48.964 45.483 52.123 292 2HD2 LEU 37 2HD2 LEU 37 49.364 46.523 53.539 293 3HD2 LEU 37 1HD2 LEU 37 47.902 45.396 53.578 294 H THR 38 H THR 38 49.195 48.303 47.815 295 HA THR 38 HA THR 38 49.103 50.327 46.692 296 HB THR 38 HB THR 38 46.655 50.657 48.506 297 HG1 THR 38 1HG THR 38 45.959 49.382 46.326 298 1HG2 THR 38 2HG2 THR 38 47.034 51.150 45.404 299 2HG2 THR 38 1HG2 THR 38 45.502 51.411 46.347 300 3HG2 THR 38 3HG2 THR 38 46.929 52.425 46.701 301 H GLN 39 H GLN 39 50.909 50.575 48.719 302 HA GLN 39 HA GLN 39 50.354 52.665 50.522 303 1HB GLN 39 2HB GLN 39 52.455 50.976 50.122 304 2HB GLN 39 1HB GLN 39 53.043 52.432 49.161 305 1HG GLN 39 2HG GLN 39 53.621 53.393 51.029 306 2HG GLN 39 1HG GLN 39 51.864 53.542 51.489 307 1HE2 GLN 39 1HE2 GLN 39 52.727 51.967 54.442 308 2HE2 GLN 39 2HE2 GLN 39 52.323 53.476 53.583 309 H THR 40 H THR 40 49.983 54.612 50.393 310 HA THR 40 HA THR 40 51.024 56.381 48.246 311 HB THR 40 HB THR 40 48.102 56.066 49.105 312 HG1 THR 40 1HG THR 40 48.209 54.580 47.535 313 1HG2 THR 40 2HG2 THR 40 49.730 58.081 47.565 314 2HG2 THR 40 1HG2 THR 40 48.277 57.529 46.565 315 3HG2 THR 40 3HG2 THR 40 47.998 58.228 48.173 316 H LYS 41 H LYS 41 52.200 56.906 50.401 317 HA LYS 41 HA LYS 41 50.663 58.495 52.417 318 1HB LYS 41 2HB LYS 41 53.078 57.764 52.893 319 2HB LYS 41 1HB LYS 41 53.597 58.633 51.381 320 1HG LYS 41 2HG LYS 41 51.909 60.237 53.369 321 2HG LYS 41 1HG LYS 41 53.450 59.603 53.983 322 1HD LYS 41 2HD LYS 41 54.423 60.599 51.577 323 2HD LYS 41 1HD LYS 41 52.840 61.439 51.540 324 1HE LYS 41 2HE LYS 41 53.944 63.087 52.384 325 2HE LYS 41 1HE LYS 41 53.467 62.226 53.963 326 1HZ LYS 41 3HZ LYS 41 56.029 61.835 52.465 327 2HZ LYS 41 2HZ LYS 41 55.884 63.079 53.512 328 3HZ LYS 41 1HZ LYS 41 55.769 61.485 54.084 329 H ILE 42 H ILE 42 50.215 60.557 52.499 330 HA ILE 42 HA ILE 42 50.674 62.064 49.900 331 HB ILE 42 HB ILE 42 48.330 61.657 51.858 332 1HG1 ILE 42 2HG1 ILE 42 47.583 61.788 49.058 333 2HG1 ILE 42 1HG1 ILE 42 48.997 60.611 49.264 334 1HG2 ILE 42 1HG2 ILE 42 48.439 64.082 51.580 335 2HG2 ILE 42 3HG2 ILE 42 48.432 63.879 49.785 336 3HG2 ILE 42 2HG2 ILE 42 46.992 63.357 50.826 337 1HD1 ILE 42 3HD1 ILE 42 47.422 59.997 51.442 338 2HD1 ILE 42 2HD1 ILE 42 46.089 60.439 50.259 339 3HD1 ILE 42 1HD1 ILE 42 47.245 59.111 49.929 340 H ILE 43 H ILE 43 50.321 64.289 50.013 341 HA ILE 43 HA ILE 43 50.993 65.740 52.580 342 HB ILE 43 HB ILE 43 52.844 64.728 51.121 343 1HG1 ILE 43 2HG1 ILE 43 52.509 67.404 52.457 344 2HG1 ILE 43 1HG1 ILE 43 53.395 65.903 53.014 345 1HG2 ILE 43 2HG2 ILE 43 52.046 65.967 48.984 346 2HG2 ILE 43 1HG2 ILE 43 52.353 67.573 49.852 347 3HG2 ILE 43 3HG2 ILE 43 53.732 66.447 49.405 348 1HD1 ILE 43 2HD1 ILE 43 54.984 66.532 50.898 349 2HD1 ILE 43 1HD1 ILE 43 54.182 68.185 51.189 350 3HD1 ILE 43 3HD1 ILE 43 55.263 67.389 52.415 351 H VAL 44 H VAL 44 50.235 67.673 52.658 352 HA VAL 44 HA VAL 44 48.764 68.708 50.202 353 HB VAL 44 HB VAL 44 48.340 69.194 53.219 354 1HG1 VAL 44 1HG1 VAL 44 47.490 70.734 50.745 355 2HG1 VAL 44 3HG1 VAL 44 46.356 70.558 52.132 356 3HG1 VAL 44 2HG1 VAL 44 48.019 71.237 52.456 357 1HG2 VAL 44 1HG2 VAL 44 47.161 67.058 51.937 358 2HG2 VAL 44 3HG2 VAL 44 45.989 68.216 52.693 359 3HG2 VAL 44 2HG2 VAL 44 46.409 68.368 50.957 360 H GLN 45 H GLN 45 50.012 70.285 53.220 361 HA GLN 45 HA GLN 45 51.144 72.184 53.550 362 1HB GLN 45 2HB GLN 45 52.874 70.869 52.180 363 2HB GLN 45 1HB GLN 45 52.430 71.951 50.738 364 1HG GLN 45 2HG GLN 45 52.825 73.211 53.447 365 2HG GLN 45 1HG GLN 45 54.351 72.563 52.587 366 1HE2 GLN 45 1HE2 GLN 45 53.702 74.783 49.756 367 2HE2 GLN 45 2HE2 GLN 45 54.115 73.006 50.300 368 H ASP 46 H ASP 46 50.298 73.948 53.717 369 HA ASP 46 HA ASP 46 49.539 75.395 51.213 370 1HB ASP 46 2HB ASP 46 47.732 73.963 52.440 371 2HB ASP 46 1HB ASP 46 47.663 75.302 53.707 372 H GLY 47 H GLY 47 51.194 75.682 54.181 373 1HA GLY 47 1HA GLY 47 52.384 77.783 54.408 374 2HA GLY 47 2HA GLY 47 50.893 78.716 53.926 375 H ASP 48 H ASP 48 52.822 77.831 56.372 376 HA ASP 48 HA ASP 48 52.562 77.823 58.770 377 1HB ASP 48 2HB ASP 48 49.987 79.351 58.505 378 2HB ASP 48 1HB ASP 48 51.574 79.752 59.505 379 H ASN 49 H ASN 49 51.347 75.890 57.214 380 HA ASN 49 HA ASN 49 50.012 74.213 59.080 381 1HB ASN 49 2HB ASN 49 47.984 75.804 58.782 382 2HB ASN 49 1HB ASN 49 48.054 75.391 56.968 383 1HD2 ASN 49 2HD2 ASN 49 45.831 72.806 58.039 384 2HD2 ASN 49 1HD2 ASN 49 46.046 74.416 57.051 385 H PHE 50 H PHE 50 51.486 72.896 58.396 386 HA PHE 50 HA PHE 50 51.229 71.925 55.581 387 1HB PHE 50 2HB PHE 50 53.429 72.664 55.921 388 2HB PHE 50 1HB PHE 50 53.473 71.979 57.620 389 HD1 PHE 50 HD2 PHE 50 52.845 70.972 54.161 390 HD2 PHE 50 HD1 PHE 50 54.515 69.979 57.986 391 HE1 PHE 50 HE2 PHE 50 53.673 68.803 53.216 392 HE2 PHE 50 HE1 PHE 50 55.374 67.743 57.037 393 HZ PHE 50 HZ PHE 50 54.923 67.262 54.745 394 H LYS 51 H LYS 51 49.531 70.342 55.562 395 HA LYS 51 HA LYS 51 50.188 68.237 57.594 396 1HB LYS 51 2HB LYS 51 47.774 67.926 55.887 397 2HB LYS 51 1HB LYS 51 47.988 67.624 57.671 398 1HG LYS 51 2HG LYS 51 46.945 69.624 58.114 399 2HG LYS 51 1HG LYS 51 48.015 70.557 56.989 400 1HD LYS 51 2HD LYS 51 46.644 69.290 55.138 401 2HD LYS 51 1HD LYS 51 45.487 68.841 56.451 402 1HE LYS 51 2HE LYS 51 45.153 71.185 57.045 403 2HE LYS 51 1HE LYS 51 46.453 71.727 55.838 404 1HZ LYS 51 3HZ LYS 51 44.369 70.195 54.682 405 2HZ LYS 51 2HZ LYS 51 43.788 71.685 55.302 406 3HZ LYS 51 1HZ LYS 51 44.991 71.685 54.195 407 H THR 52 H THR 52 49.485 66.202 56.992 408 HA THR 52 HA THR 52 50.011 65.300 54.196 409 HB THR 52 HB THR 52 51.832 64.967 56.610 410 HG1 THR 52 1HG THR 52 53.016 65.059 55.127 411 1HG2 THR 52 1HG2 THR 52 50.494 62.479 55.175 412 2HG2 THR 52 3HG2 THR 52 52.204 62.414 55.837 413 3HG2 THR 52 2HG2 THR 52 50.848 62.597 56.939 414 H LYS 53 H LYS 53 48.690 63.654 53.615 415 HA LYS 53 HA LYS 53 47.200 62.320 55.911 416 1HB LYS 53 2HB LYS 53 45.818 64.177 56.013 417 2HB LYS 53 1HB LYS 53 46.178 64.612 54.265 418 1HG LYS 53 2HG LYS 53 44.566 62.109 54.789 419 2HG LYS 53 1HG LYS 53 43.719 63.714 55.014 420 1HD LYS 53 2HD LYS 53 43.504 64.117 52.986 421 2HD LYS 53 1HD LYS 53 45.300 63.900 52.676 422 1HE LYS 53 2HE LYS 53 44.814 61.897 51.457 423 2HE LYS 53 1HE LYS 53 44.319 61.303 53.078 424 1HZ LYS 53 2HZ LYS 53 42.043 62.199 52.585 425 2HZ LYS 53 1HZ LYS 53 42.580 62.738 51.128 426 3HZ LYS 53 3HZ LYS 53 42.499 61.060 51.454 427 H THR 54 H THR 54 47.249 60.437 55.497 428 HA THR 54 HA THR 54 46.324 58.554 54.814 429 HB THR 54 HB THR 54 45.664 59.962 52.148 430 HG1 THR 54 1HG THR 54 43.716 59.122 52.509 431 1HG2 THR 54 1HG2 THR 54 46.831 57.661 51.773 432 2HG2 THR 54 3HG2 THR 54 45.632 56.846 52.829 433 3HG2 THR 54 2HG2 THR 54 45.097 57.690 51.328 434 H ASN 55 H ASN 55 47.282 56.760 53.946 435 HA ASN 55 HA ASN 55 49.568 57.103 52.317 436 1HB ASN 55 2HB ASN 55 51.259 56.722 54.378 437 2HB ASN 55 1HB ASN 55 50.473 58.394 54.201 438 1HD2 ASN 55 2HD2 ASN 55 48.513 58.297 56.989 439 2HD2 ASN 55 1HD2 ASN 55 49.185 59.129 55.471 440 H SER 56 H SER 56 47.679 55.346 52.146 441 HA SER 56 HA SER 56 48.592 52.974 51.393 442 1HB SER 56 2HB SER 56 48.568 52.893 54.470 443 2HB SER 56 1HB SER 56 48.146 51.399 53.458 444 HG SER 56 HG SER 56 50.092 51.350 52.657 445 H THR 57 H THR 57 47.011 51.140 51.569 446 HA THR 57 HA THR 57 44.323 52.403 51.404 447 HB THR 57 HB THR 57 45.116 50.731 49.614 448 HG1 THR 57 1HG THR 57 42.933 51.321 50.113 449 1HG2 THR 57 3HG2 THR 57 46.046 49.018 51.370 450 2HG2 THR 57 2HG2 THR 57 44.395 48.665 51.887 451 3HG2 THR 57 1HG2 THR 57 44.881 48.313 50.165 452 H PHE 58 H PHE 58 46.197 50.221 53.221 453 HA PHE 58 HA PHE 58 43.972 49.334 54.968 454 1HB PHE 58 2HB PHE 58 45.634 48.785 56.798 455 2HB PHE 58 1HB PHE 58 45.846 47.894 55.269 456 HD1 PHE 58 HD2 PHE 58 47.134 51.268 56.703 457 HD2 PHE 58 HD1 PHE 58 48.024 47.544 54.757 458 HE1 PHE 58 HE2 PHE 58 49.484 51.834 56.616 459 HE2 PHE 58 HE1 PHE 58 50.486 48.168 54.682 460 HZ PHE 58 HZ PHE 58 51.171 50.299 55.614 461 H ARG 59 H ARG 59 45.977 52.100 54.781 462 HA ARG 59 HA ARG 59 43.944 53.555 56.267 463 1HB ARG 59 2HB ARG 59 44.398 53.200 58.530 464 2HB ARG 59 1HB ARG 59 45.603 51.891 57.945 465 1HG ARG 59 2HG ARG 59 47.415 53.491 57.966 466 2HG ARG 59 1HG ARG 59 46.158 54.784 58.422 467 1HD ARG 59 2HD ARG 59 46.626 54.286 60.620 468 2HD ARG 59 1HD ARG 59 45.636 52.852 60.295 469 HE ARG 59 HE ARG 59 47.499 51.531 59.705 470 1HH1 ARG 59 1HH2 ARG 59 48.407 54.738 61.211 471 2HH1 ARG 59 2HH2 ARG 59 49.991 54.194 61.640 472 1HH2 ARG 59 2HH1 ARG 59 49.662 50.961 60.371 473 2HH2 ARG 59 1HH1 ARG 59 50.740 52.067 61.188 474 H ASN 60 H ASN 60 44.249 55.340 57.265 475 HA ASN 60 HA ASN 60 46.467 56.936 56.065 476 1HB ASN 60 2HB ASN 60 43.967 58.432 55.760 477 2HB ASN 60 1HB ASN 60 44.887 57.416 54.450 478 1HD2 ASN 60 2HD2 ASN 60 42.929 54.765 54.180 479 2HD2 ASN 60 1HD2 ASN 60 44.424 55.603 53.916 480 H TYR 61 H TYR 61 47.257 57.102 58.007 481 HA TYR 61 HA TYR 61 45.781 58.370 60.192 482 1HB TYR 61 2HB TYR 61 47.738 56.634 60.523 483 2HB TYR 61 1HB TYR 61 48.864 57.928 59.951 484 HD1 TYR 61 HD2 TYR 61 45.842 57.635 62.255 485 HD2 TYR 61 HD1 TYR 61 49.957 58.957 61.727 486 HE1 TYR 61 HE2 TYR 61 45.927 58.507 64.553 487 HE2 TYR 61 HE1 TYR 61 50.004 59.791 64.015 488 HH TYR 61 HH TYR 61 47.385 60.405 65.788 489 H ASP 62 H ASP 62 45.143 60.333 59.558 490 HA ASP 62 HA ASP 62 46.380 62.364 58.088 491 1HB ASP 62 2HB ASP 62 45.099 63.932 59.638 492 2HB ASP 62 1HB ASP 62 44.088 62.459 59.123 493 H LEU 63 H LEU 63 47.644 64.034 58.347 494 HA LEU 63 HA LEU 63 49.354 64.192 60.820 495 1HB LEU 63 2HB LEU 63 50.422 63.071 58.714 496 2HB LEU 63 1HB LEU 63 50.494 64.759 58.022 497 HG LEU 63 HG LEU 63 51.435 65.143 60.643 498 1HD1 LEU 63 1HD1 LEU 63 51.119 62.312 60.371 499 2HD1 LEU 63 3HD1 LEU 63 52.867 62.640 60.440 500 3HD1 LEU 63 2HD1 LEU 63 51.813 63.319 61.738 501 1HD2 LEU 63 3HD2 LEU 63 52.836 64.195 58.103 502 2HD2 LEU 63 2HD2 LEU 63 52.940 65.861 58.922 503 3HD2 LEU 63 1HD2 LEU 63 53.828 64.470 59.618 504 H ASP 64 H ASP 64 47.368 65.724 61.063 505 HA ASP 64 HA ASP 64 47.732 68.217 59.568 506 1HB ASP 64 2HB ASP 64 45.513 67.621 60.071 507 2HB ASP 64 1HB ASP 64 45.859 67.341 61.932 508 H PHE 65 H PHE 65 49.685 69.028 59.862 509 HA PHE 65 HA PHE 65 50.180 69.911 62.670 510 1HB PHE 65 2HB PHE 65 51.972 68.623 60.521 511 2HB PHE 65 1HB PHE 65 52.687 69.791 61.680 512 HD1 PHE 65 HD2 PHE 65 51.299 69.232 64.213 513 HD2 PHE 65 HD1 PHE 65 52.705 66.576 61.058 514 HE1 PHE 65 HE2 PHE 65 51.537 67.396 65.820 515 HE2 PHE 65 HE1 PHE 65 52.927 64.802 62.654 516 HZ PHE 65 HZ PHE 65 52.343 65.178 65.106 517 H THR 66 H THR 66 50.733 71.778 62.900 518 HA THR 66 HA THR 66 51.237 73.669 60.604 519 HB THR 66 HB THR 66 49.278 73.541 62.876 520 HG1 THR 66 1HG THR 66 48.085 74.627 61.504 521 1HG2 THR 66 1HG2 THR 66 50.813 75.750 63.480 522 2HG2 THR 66 3HG2 THR 66 50.348 76.287 61.811 523 3HG2 THR 66 2HG2 THR 66 49.052 76.068 63.011 524 H VAL 67 H VAL 67 53.327 74.020 60.746 525 HA VAL 67 HA VAL 67 55.037 73.430 62.886 526 HB VAL 67 HB VAL 67 55.027 75.536 60.747 527 1HG1 VAL 67 1HG1 VAL 67 56.765 75.635 63.144 528 2HG1 VAL 67 3HG1 VAL 67 57.759 75.310 61.659 529 3HG1 VAL 67 2HG1 VAL 67 56.655 76.760 61.693 530 1HG2 VAL 67 2HG2 VAL 67 55.934 72.760 61.191 531 2HG2 VAL 67 1HG2 VAL 67 55.720 73.720 59.645 532 3HG2 VAL 67 3HG2 VAL 67 57.266 73.854 60.504 533 H GLY 68 H GLY 68 55.531 73.936 64.726 534 1HA GLY 68 1HA GLY 68 55.893 75.334 66.589 535 2HA GLY 68 2HA GLY 68 54.963 76.693 65.716 536 H VAL 69 H VAL 69 53.294 73.784 65.763 537 HA VAL 69 HA VAL 69 51.205 75.018 67.498 538 HB VAL 69 HB VAL 69 51.916 72.368 66.135 539 1HG1 VAL 69 1HG1 VAL 69 49.940 72.665 68.392 540 2HG1 VAL 69 3HG1 VAL 69 49.540 71.585 66.994 541 3HG1 VAL 69 2HG1 VAL 69 51.011 71.247 68.041 542 1HG2 VAL 69 1HG2 VAL 69 50.199 74.591 65.501 543 2HG2 VAL 69 3HG2 VAL 69 50.182 72.990 64.620 544 3HG2 VAL 69 2HG2 VAL 69 49.052 73.320 66.026 545 H GLU 70 H GLU 70 53.790 72.611 67.766 546 HA GLU 70 HA GLU 70 54.481 71.484 69.756 547 1HB GLU 70 2HB GLU 70 54.308 74.130 70.488 548 2HB GLU 70 1HB GLU 70 52.962 73.388 71.527 549 1HG GLU 70 2HG GLU 70 54.308 71.915 72.651 550 2HG GLU 70 1HG GLU 70 55.788 72.209 71.545 551 H PHE 71 H PHE 71 53.328 70.032 68.917 552 HA PHE 71 HA PHE 71 50.568 69.472 69.689 553 1HB PHE 71 2HB PHE 71 52.256 68.167 67.923 554 2HB PHE 71 1HB PHE 71 52.081 66.941 69.249 555 HD1 PHE 71 HD2 PHE 71 50.061 69.459 67.349 556 HD2 PHE 71 HD1 PHE 71 50.174 65.579 69.002 557 HE1 PHE 71 HE2 PHE 71 47.786 69.045 66.384 558 HE2 PHE 71 HE1 PHE 71 47.982 65.104 68.106 559 HZ PHE 71 HZ PHE 71 46.703 66.863 66.753 560 H ASP 72 H ASP 72 50.670 70.099 71.869 561 HA ASP 72 HA ASP 72 52.140 68.722 73.891 562 1HB ASP 72 2HB ASP 72 49.367 70.097 73.837 563 2HB ASP 72 1HB ASP 72 50.319 69.727 75.378 564 H GLU 73 H GLU 73 51.901 66.470 73.250 565 HA GLU 73 HA GLU 73 51.042 64.231 73.767 566 1HB GLU 73 2HB GLU 73 49.277 65.807 75.638 567 2HB GLU 73 1HB GLU 73 49.886 64.108 75.808 568 1HG GLU 73 2HG GLU 73 52.131 64.842 76.288 569 2HG GLU 73 1HG GLU 73 51.753 66.622 75.766 570 H HIS 74 H HIS 74 50.149 63.557 72.130 571 HA HIS 74 HA HIS 74 47.343 63.089 72.238 572 1HB HIS 74 2HB HIS 74 48.074 65.659 70.940 573 2HB HIS 74 1HB HIS 74 47.310 64.481 69.772 574 HD1 HIS 74 HD1 HIS 74 45.240 63.056 71.160 575 HD2 HIS 74 HD2 HIS 74 46.058 67.098 71.942 576 HE1 HIS 74 HE1 HIS 74 43.106 64.020 72.170 577 HE2 HIS 74 HE2 HIS 74 43.611 66.499 72.660 578 H THR 75 H THR 75 47.611 61.176 71.909 579 HA THR 75 HA THR 75 47.893 60.248 69.117 580 HB THR 75 HB THR 75 49.972 59.483 69.188 581 HG1 THR 75 1HG THR 75 50.069 57.691 70.079 582 1HG2 THR 75 1HG2 THR 75 49.831 60.342 72.185 583 2HG2 THR 75 3HG2 THR 75 51.416 59.898 71.464 584 3HG2 THR 75 2HG2 THR 75 50.506 61.325 70.785 585 H LYS 76 H LYS 76 46.660 58.631 68.731 586 HA LYS 76 HA LYS 76 46.112 56.536 70.820 587 1HB LYS 76 2HB LYS 76 44.393 58.779 70.854 588 2HB LYS 76 1HB LYS 76 43.626 57.643 69.637 589 1HG LYS 76 2HG LYS 76 42.707 56.846 71.598 590 2HG LYS 76 1HG LYS 76 44.117 55.757 71.340 591 1HD LYS 76 2HD LYS 76 44.311 56.239 73.570 592 2HD LYS 76 1HD LYS 76 45.529 57.326 72.798 593 1HE LYS 76 2HE LYS 76 44.315 59.255 73.500 594 2HE LYS 76 1HE LYS 76 42.766 58.483 72.990 595 1HZ LYS 76 1HZ LYS 76 44.100 57.308 75.252 596 2HZ LYS 76 3HZ LYS 76 43.538 58.807 75.628 597 3HZ LYS 76 2HZ LYS 76 42.461 57.623 75.075 598 H GLY 77 H GLY 77 45.295 54.836 70.191 599 1HA GLY 77 1HA GLY 77 44.176 53.323 68.652 600 2HA GLY 77 2HA GLY 77 44.471 54.504 67.320 601 H LEU 78 H LEU 78 47.207 54.626 68.893 602 HA LEU 78 HA LEU 78 48.466 52.254 67.491 603 1HB LEU 78 2HB LEU 78 48.343 54.505 66.180 604 2HB LEU 78 1HB LEU 78 49.766 54.982 67.214 605 HG LEU 78 HG LEU 78 50.418 52.358 66.548 606 1HD1 LEU 78 3HD1 LEU 78 48.527 53.401 64.443 607 2HD1 LEU 78 2HD1 LEU 78 50.000 52.518 63.860 608 3HD1 LEU 78 1HD1 LEU 78 48.798 51.719 64.987 609 1HD2 LEU 78 1HD2 LEU 78 51.830 54.492 66.279 610 2HD2 LEU 78 3HD2 LEU 78 52.093 53.284 64.979 611 3HD2 LEU 78 2HD2 LEU 78 51.099 54.721 64.613 612 H ASP 79 H ASP 79 48.259 53.552 70.463 613 HA ASP 79 HA ASP 79 50.651 52.527 71.378 614 1HB ASP 79 2HB ASP 79 51.800 54.489 70.256 615 2HB ASP 79 1HB ASP 79 50.771 55.642 71.330 616 H GLY 80 H GLY 80 48.821 55.558 71.768 617 1HA GLY 80 1HA GLY 80 47.436 56.445 73.224 618 2HA GLY 80 2HA GLY 80 47.275 54.853 74.117 619 H ARG 81 H ARG 81 49.205 57.571 73.352 620 HA ARG 81 HA ARG 81 50.325 57.726 76.175 621 1HB ARG 81 2HB ARG 81 51.822 57.270 73.775 622 2HB ARG 81 1HB ARG 81 51.903 59.079 73.977 623 1HG ARG 81 2HG ARG 81 53.837 58.014 75.189 624 2HG ARG 81 1HG ARG 81 52.703 58.568 76.428 625 1HD ARG 81 2HD ARG 81 51.841 56.414 76.875 626 2HD ARG 81 1HD ARG 81 52.321 55.797 75.244 627 HE ARG 81 HE ARG 81 54.728 56.010 76.016 628 1HH1 ARG 81 1HH1 ARG 81 52.102 55.627 78.586 629 2HH1 ARG 81 2HH1 ARG 81 53.271 54.978 79.715 630 1HH2 ARG 81 1HH2 ARG 81 56.075 55.201 77.515 631 2HH2 ARG 81 2HH2 ARG 81 55.511 54.738 79.142 632 H ASN 82 H ASN 82 51.514 60.026 76.342 633 HA ASN 82 HA ASN 82 50.002 62.098 75.095 634 1HB ASN 82 2HB ASN 82 50.004 62.145 78.195 635 2HB ASN 82 1HB ASN 82 48.710 62.899 77.059 636 1HD2 ASN 82 2HD2 ASN 82 46.712 60.125 76.979 637 2HD2 ASN 82 1HD2 ASN 82 47.106 61.708 76.399 638 H VAL 83 H VAL 83 51.807 62.473 74.290 639 HA VAL 83 HA VAL 83 53.862 63.872 76.056 640 HB VAL 83 HB VAL 83 54.655 62.376 73.575 641 1HG1 VAL 83 2HG1 VAL 83 55.933 63.653 75.897 642 2HG1 VAL 83 1HG1 VAL 83 56.651 62.078 75.610 643 3HG1 VAL 83 3HG1 VAL 83 56.656 63.244 74.242 644 1HG2 VAL 83 2HG2 VAL 83 53.662 61.090 76.139 645 2HG2 VAL 83 1HG2 VAL 83 54.039 60.356 74.516 646 3HG2 VAL 83 3HG2 VAL 83 55.384 60.686 75.756 647 H LYS 84 H LYS 84 54.934 65.546 75.421 648 HA LYS 84 HA LYS 84 53.798 67.267 73.458 649 1HB LYS 84 2HB LYS 84 56.636 67.141 74.597 650 2HB LYS 84 1HB LYS 84 56.218 68.192 73.167 651 1HG LYS 84 2HG LYS 84 54.703 69.513 74.327 652 2HG LYS 84 1HG LYS 84 54.286 68.122 75.486 653 1HD LYS 84 2HD LYS 84 57.093 69.415 75.308 654 2HD LYS 84 1HD LYS 84 55.797 70.268 76.224 655 1HE LYS 84 2HE LYS 84 55.895 67.265 76.713 656 2HE LYS 84 1HE LYS 84 57.420 68.089 77.252 657 1HZ LYS 84 1HZ LYS 84 54.666 69.007 78.078 658 2HZ LYS 84 3HZ LYS 84 55.573 67.911 78.886 659 3HZ LYS 84 2HZ LYS 84 56.151 69.459 78.730 660 H THR 85 H THR 85 54.453 67.888 71.494 661 HA THR 85 HA THR 85 56.173 66.075 69.786 662 HB THR 85 HB THR 85 53.291 65.747 70.248 663 HG1 THR 85 1HG THR 85 54.507 64.368 70.804 664 1HG2 THR 85 2HG2 THR 85 54.836 65.537 67.500 665 2HG2 THR 85 1HG2 THR 85 53.253 64.687 67.785 666 3HG2 THR 85 3HG2 THR 85 53.278 66.489 67.672 667 H LEU 86 H LEU 86 57.148 68.026 69.979 668 HA LEU 86 HA LEU 86 56.063 70.415 68.701 669 1HB LEU 86 2HB LEU 86 58.081 70.415 70.308 670 2HB LEU 86 1HB LEU 86 59.020 69.533 68.949 671 HG LEU 86 HG LEU 86 57.696 71.964 67.982 672 1HD1 LEU 86 1HD1 LEU 86 58.554 72.355 70.493 673 2HD1 LEU 86 3HD1 LEU 86 60.210 72.234 69.747 674 3HD1 LEU 86 2HD1 LEU 86 59.054 73.552 69.237 675 1HD2 LEU 86 3HD2 LEU 86 59.487 70.362 66.885 676 2HD2 LEU 86 2HD2 LEU 86 59.995 72.097 66.908 677 3HD2 LEU 86 1HD2 LEU 86 60.620 70.875 68.144 678 H VAL 87 H VAL 87 56.241 71.196 66.756 679 HA VAL 87 HA VAL 87 57.596 69.681 64.608 680 HB VAL 87 HB VAL 87 55.057 69.181 64.825 681 1HG1 VAL 87 1HG1 VAL 87 54.790 71.808 65.605 682 2HG1 VAL 87 3HG1 VAL 87 54.228 71.898 63.897 683 3HG1 VAL 87 2HG1 VAL 87 53.522 70.688 65.095 684 1HG2 VAL 87 3HG2 VAL 87 56.310 70.407 62.326 685 2HG2 VAL 87 2HG2 VAL 87 55.406 68.838 62.569 686 3HG2 VAL 87 1HG2 VAL 87 54.532 70.417 62.360 687 H THR 88 H THR 88 58.662 70.805 63.225 688 HA THR 88 HA THR 88 58.141 73.690 62.829 689 HB THR 88 HB THR 88 59.528 73.275 64.997 690 HG1 THR 88 1HG THR 88 61.049 74.842 63.541 691 1HG2 THR 88 1HG2 THR 88 61.643 72.799 62.730 692 2HG2 THR 88 3HG2 THR 88 62.001 73.092 64.529 693 3HG2 THR 88 2HG2 THR 88 61.265 71.549 63.959 694 H TRP 89 H TRP 89 59.905 74.568 61.480 695 HA TRP 89 HA TRP 89 60.405 72.858 59.063 696 1HB TRP 89 2HB TRP 89 60.301 75.897 59.729 697 2HB TRP 89 1HB TRP 89 61.084 75.284 58.217 698 HD1 TRP 89 HD1 TRP 89 57.662 76.190 59.460 699 HE1 TRP 89 HE1 TRP 89 56.027 74.899 57.961 700 HE3 TRP 89 HE3 TRP 89 60.896 73.109 57.182 701 HZ2 TRP 89 HZ2 TRP 89 56.143 72.685 55.995 702 HZ3 TRP 89 HZ3 TRP 89 60.188 71.429 55.541 703 HH2 TRP 89 HH2 TRP 89 57.896 71.273 55.059 704 H GLU 90 H GLU 90 62.539 72.556 58.246 705 HA GLU 90 HA GLU 90 64.525 73.149 60.403 706 1HB GLU 90 2HB GLU 90 64.288 70.872 59.264 707 2HB GLU 90 1HB GLU 90 64.870 71.677 57.744 708 1HG GLU 90 2HG GLU 90 66.826 70.498 58.884 709 2HG GLU 90 1HG GLU 90 67.002 72.359 59.121 710 H GLY 91 H GLY 91 63.832 73.485 57.077 711 1HA GLY 91 1HA GLY 91 64.648 76.131 56.656 712 2HA GLY 91 2HA GLY 91 65.988 75.044 56.051 713 H ASN 92 H ASN 92 64.757 72.893 55.489 714 HA ASN 92 HA ASN 92 62.574 73.398 53.476 715 1HB ASN 92 2HB ASN 92 64.724 71.525 52.534 716 2HB ASN 92 1HB ASN 92 63.731 72.804 51.584 717 1HD2 ASN 92 2HD2 ASN 92 67.466 73.551 52.916 718 2HD2 ASN 92 1HD2 ASN 92 66.684 71.981 52.917 719 H THR 93 H THR 93 62.744 72.165 56.076 720 HA THR 93 HA THR 93 61.269 69.777 55.334 721 HB THR 93 HB THR 93 63.621 68.869 55.130 722 HG1 THR 93 1HG THR 93 61.686 67.857 55.409 723 1HG2 THR 93 1HG2 THR 93 63.351 69.083 58.297 724 2HG2 THR 93 3HG2 THR 93 64.392 67.843 57.470 725 3HG2 THR 93 2HG2 THR 93 64.761 69.607 57.325 726 H LEU 94 H LEU 94 60.383 68.529 56.734 727 HA LEU 94 HA LEU 94 59.465 70.079 59.103 728 1HB LEU 94 2HB LEU 94 57.864 69.211 57.345 729 2HB LEU 94 1HB LEU 94 58.178 67.565 58.024 730 HG LEU 94 HG LEU 94 57.908 68.763 60.301 731 1HD1 LEU 94 2HD1 LEU 94 56.379 70.452 58.304 732 2HD1 LEU 94 1HD1 LEU 94 55.453 70.082 59.802 733 3HD1 LEU 94 3HD1 LEU 94 57.057 70.969 59.934 734 1HD2 LEU 94 1HD2 LEU 94 56.633 66.819 58.958 735 2HD2 LEU 94 3HD2 LEU 94 55.995 67.345 60.525 736 3HD2 LEU 94 2HD2 LEU 94 55.255 68.016 59.009 737 H VAL 95 H VAL 95 60.952 69.979 60.434 738 HA VAL 95 HA VAL 95 61.940 67.533 61.630 739 HB VAL 95 HB VAL 95 61.957 70.610 62.220 740 1HG1 VAL 95 1HG1 VAL 95 63.447 68.410 63.753 741 2HG1 VAL 95 3HG1 VAL 95 63.958 70.127 63.645 742 3HG1 VAL 95 2HG1 VAL 95 62.345 69.723 64.408 743 1HG2 VAL 95 1HG2 VAL 95 63.405 69.213 60.267 744 2HG2 VAL 95 3HG2 VAL 95 64.126 70.628 61.185 745 3HG2 VAL 95 2HG2 VAL 95 64.471 68.908 61.736 746 H CYS 96 H CYS 96 60.661 66.512 63.220 747 HA CYS 96 HA CYS 96 59.436 68.289 65.219 748 1HB CYS 96 2HB CYS 96 57.622 65.889 64.616 749 2HB CYS 96 1HB CYS 96 57.161 67.568 64.714 750 HG CYS 96 HG CYS 96 57.888 65.738 62.255 751 H VAL 97 H VAL 97 59.436 67.551 67.272 752 HA VAL 97 HA VAL 97 60.776 64.936 67.741 753 HB VAL 97 HB VAL 97 60.885 67.419 69.412 754 1HG1 VAL 97 3HG1 VAL 97 61.772 64.955 69.996 755 2HG1 VAL 97 2HG1 VAL 97 63.279 65.465 69.127 756 3HG1 VAL 97 1HG1 VAL 97 62.625 66.454 70.554 757 1HG2 VAL 97 2HG2 VAL 97 62.097 66.931 66.732 758 2HG2 VAL 97 1HG2 VAL 97 61.862 68.482 67.727 759 3HG2 VAL 97 3HG2 VAL 97 63.297 67.471 67.993 760 H GLN 98 H GLN 98 59.977 63.588 69.294 761 HA GLN 98 HA GLN 98 57.560 64.367 70.865 762 1HB GLN 98 2HB GLN 98 58.367 62.051 69.555 763 2HB GLN 98 1HB GLN 98 58.653 61.634 71.353 764 1HG GLN 98 2HG GLN 98 56.337 61.203 71.325 765 2HG GLN 98 1HG GLN 98 56.150 62.993 71.222 766 1HE2 GLN 98 2HE2 GLN 98 54.617 60.787 68.434 767 2HE2 GLN 98 1HE2 GLN 98 54.940 60.360 70.158 768 H LYS 99 H LYS 99 58.238 65.716 72.156 769 HA LYS 99 HA LYS 99 60.566 64.915 73.948 770 1HB LYS 99 2HB LYS 99 60.421 67.217 73.179 771 2HB LYS 99 1HB LYS 99 58.812 67.432 73.873 772 1HG LYS 99 2HG LYS 99 60.049 66.643 76.155 773 2HG LYS 99 1HG LYS 99 61.573 67.020 75.304 774 1HD LYS 99 2HD LYS 99 60.888 69.393 75.025 775 2HD LYS 99 1HD LYS 99 59.185 68.991 75.653 776 1HE LYS 99 2HE LYS 99 60.203 68.458 77.838 777 2HE LYS 99 1HE LYS 99 61.860 68.736 77.142 778 1HZ LYS 99 3HZ LYS 99 59.827 70.829 77.018 779 2HZ LYS 99 2HZ LYS 99 60.568 70.572 78.474 780 3HZ LYS 99 1HZ LYS 99 61.482 71.043 77.124 781 H GLY 100 H GLY 100 60.448 64.005 75.690 782 1HA GLY 100 1HA GLY 100 58.947 64.371 77.994 783 2HA GLY 100 2HA GLY 100 57.808 63.367 77.060 784 H GLU 101 H GLU 101 58.465 62.609 79.217 785 HA GLU 101 HA GLU 101 59.846 61.361 80.687 786 1HB GLU 101 2HB GLU 101 57.671 60.185 80.198 787 2HB GLU 101 1HB GLU 101 58.268 59.746 78.573 788 1HG GLU 101 2HG GLU 101 60.031 58.245 79.770 789 2HG GLU 101 1HG GLU 101 59.203 58.690 81.341 790 H LYS 102 H LYS 102 59.992 59.669 77.670 791 HA LYS 102 HA LYS 102 62.995 59.541 77.504 792 1HB LYS 102 2HB LYS 102 62.985 57.097 77.258 793 2HB LYS 102 1HB LYS 102 62.490 57.618 78.966 794 1HG LYS 102 2HG LYS 102 60.850 56.040 78.663 795 2HG LYS 102 1HG LYS 102 59.998 57.408 77.919 796 1HD LYS 102 2HD LYS 102 59.747 55.890 76.181 797 2HD LYS 102 1HD LYS 102 61.379 56.400 75.668 798 1HE LYS 102 2HE LYS 102 61.409 54.271 77.823 799 2HE LYS 102 1HE LYS 102 60.520 53.829 76.331 800 1HZ LYS 102 2HZ LYS 102 62.896 55.037 75.538 801 2HZ LYS 102 1HZ LYS 102 63.347 54.040 76.786 802 3HZ LYS 102 3HZ LYS 102 62.536 53.406 75.484 803 H GLU 103 H GLU 103 59.888 58.386 76.308 804 HA GLU 103 HA GLU 103 60.283 57.242 73.940 805 1HB GLU 103 2HB GLU 103 58.423 59.558 74.650 806 2HB GLU 103 1HB GLU 103 58.375 58.706 73.050 807 1HG GLU 103 2HG GLU 103 56.865 57.288 74.040 808 2HG GLU 103 1HG GLU 103 58.430 56.522 74.794 809 H ASN 104 H ASN 104 61.709 57.470 72.588 810 HA ASN 104 HA ASN 104 62.011 60.111 71.278 811 1HB ASN 104 2HB ASN 104 63.390 57.346 70.710 812 2HB ASN 104 1HB ASN 104 64.185 58.969 70.397 813 1HD2 ASN 104 2HD2 ASN 104 64.933 59.458 73.805 814 2HD2 ASN 104 1HD2 ASN 104 64.396 60.281 72.155 815 H ARG 105 H ARG 105 59.737 59.914 70.858 816 HA ARG 105 HA ARG 105 59.074 57.880 68.851 817 1HB ARG 105 2HB ARG 105 57.859 58.030 71.175 818 2HB ARG 105 1HB ARG 105 57.189 59.588 70.636 819 1HG ARG 105 2HG ARG 105 55.749 57.493 70.375 820 2HG ARG 105 1HG ARG 105 55.855 58.601 68.919 821 1HD ARG 105 2HD ARG 105 57.680 56.985 68.008 822 2HD ARG 105 1HD ARG 105 57.314 55.898 69.375 823 HE ARG 105 HE ARG 105 55.390 55.313 68.204 824 1HH1 ARG 105 1HH1 ARG 105 56.515 58.530 67.149 825 2HH1 ARG 105 2HH1 ARG 105 55.296 58.739 65.900 826 1HH2 ARG 105 1HH2 ARG 105 53.657 55.671 66.381 827 2HH2 ARG 105 2HH2 ARG 105 53.785 57.211 65.524 828 H GLY 106 H GLY 106 60.410 60.476 68.899 829 1HA GLY 106 1HA GLY 106 58.766 62.443 67.432 830 2HA GLY 106 2HA GLY 106 60.542 62.407 67.527 831 H TRP 107 H TRP 107 58.521 62.682 65.379 832 HA TRP 107 HA TRP 107 59.984 61.068 63.393 833 1HB TRP 107 2HB TRP 107 58.100 60.455 62.124 834 2HB TRP 107 1HB TRP 107 57.235 60.582 63.723 835 HD1 TRP 107 HD1 TRP 107 57.513 62.238 60.257 836 HE1 TRP 107 HE1 TRP 107 56.142 64.490 60.276 837 HE3 TRP 107 HE3 TRP 107 56.658 62.541 65.187 838 HZ2 TRP 107 HZ2 TRP 107 55.063 65.944 62.076 839 HZ3 TRP 107 HZ3 TRP 107 55.414 64.446 66.054 840 HH2 TRP 107 HH2 TRP 107 54.608 66.167 64.507 841 H LYS 108 H LYS 108 60.388 61.844 61.477 842 HA LYS 108 HA LYS 108 59.674 64.599 60.843 843 1HB LYS 108 2HB LYS 108 62.285 65.183 60.536 844 2HB LYS 108 1HB LYS 108 61.748 65.079 62.291 845 1HG LYS 108 2HG LYS 108 62.399 62.599 62.196 846 2HG LYS 108 1HG LYS 108 63.289 63.034 60.657 847 1HD LYS 108 2HD LYS 108 65.042 63.391 62.250 848 2HD LYS 108 1HD LYS 108 64.298 65.004 62.128 849 1HE LYS 108 2HE LYS 108 64.397 64.539 64.512 850 2HE LYS 108 1HE LYS 108 62.671 64.082 64.020 851 1HZ LYS 108 2HZ LYS 108 63.670 61.837 63.605 852 2HZ LYS 108 1HZ LYS 108 64.986 62.306 64.505 853 3HZ LYS 108 3HZ LYS 108 63.506 62.208 65.248 854 H GLN 109 H GLN 109 61.032 65.443 59.064 855 HA GLN 109 HA GLN 109 61.465 63.150 57.079 856 1HB GLN 109 2HB GLN 109 60.553 65.104 55.380 857 2HB GLN 109 1HB GLN 109 59.493 63.775 56.053 858 1HG GLN 109 2HG GLN 109 59.603 66.132 57.916 859 2HG GLN 109 1HG GLN 109 58.941 66.444 56.190 860 1HE2 GLN 109 2HE2 GLN 109 57.221 63.873 58.894 861 2HE2 GLN 109 1HE2 GLN 109 58.866 64.729 59.072 862 H TRP 110 H TRP 110 62.342 64.099 54.884 863 HA TRP 110 HA TRP 110 63.814 66.575 55.029 864 1HB TRP 110 2HB TRP 110 66.079 65.373 55.218 865 2HB TRP 110 1HB TRP 110 65.130 65.869 56.701 866 HD1 TRP 110 HD1 TRP 110 64.705 62.583 54.535 867 HE1 TRP 110 HE1 TRP 110 64.889 60.620 56.290 868 HE3 TRP 110 HE3 TRP 110 65.650 65.343 58.500 869 HZ2 TRP 110 HZ2 TRP 110 65.411 60.532 59.000 870 HZ3 TRP 110 HZ3 TRP 110 65.999 64.402 60.758 871 HH2 TRP 110 HH2 TRP 110 65.866 61.983 60.950 872 H VAL 111 H VAL 111 62.851 66.689 53.084 873 HA VAL 111 HA VAL 111 62.859 65.212 50.802 874 HB VAL 111 HB VAL 111 63.797 68.128 51.180 875 1HG1 VAL 111 3HG1 VAL 111 63.181 66.563 48.725 876 2HG1 VAL 111 2HG1 VAL 111 62.293 68.087 48.785 877 3HG1 VAL 111 1HG1 VAL 111 64.136 68.077 48.944 878 1HG2 VAL 111 2HG2 VAL 111 61.056 66.766 51.075 879 2HG2 VAL 111 1HG2 VAL 111 61.601 68.051 52.228 880 3HG2 VAL 111 3HG2 VAL 111 61.227 68.498 50.499 881 H GLU 112 H GLU 112 64.445 63.733 50.734 882 HA GLU 112 HA GLU 112 67.161 64.695 50.472 883 1HB GLU 112 2HB GLU 112 65.787 62.342 51.341 884 2HB GLU 112 1HB GLU 112 67.086 61.805 50.234 885 1HG GLU 112 2HG GLU 112 67.429 63.892 52.495 886 2HG GLU 112 1HG GLU 112 67.859 62.025 52.591 887 H GLY 113 H GLY 113 65.823 65.588 48.284 888 1HA GLY 113 1HA GLY 113 66.802 65.643 46.049 889 2HA GLY 113 2HA GLY 113 66.854 63.835 46.003 890 H ASP 114 H ASP 114 65.184 62.793 45.361 891 HA ASP 114 HA ASP 114 62.986 64.432 44.047 892 1HB ASP 114 2HB ASP 114 64.177 61.587 43.738 893 2HB ASP 114 1HB ASP 114 62.676 62.148 42.764 894 H LYS 115 H LYS 115 63.327 62.452 46.818 895 HA LYS 115 HA LYS 115 60.387 62.314 47.001 896 1HB LYS 115 2HB LYS 115 60.360 59.965 47.756 897 2HB LYS 115 1HB LYS 115 61.198 60.033 46.190 898 1HG LYS 115 2HG LYS 115 63.126 60.579 48.424 899 2HG LYS 115 1HG LYS 115 62.332 58.970 48.599 900 1HD LYS 115 2HD LYS 115 62.964 58.414 46.269 901 2HD LYS 115 1HD LYS 115 63.558 60.124 46.005 902 1HE LYS 115 2HE LYS 115 65.275 59.902 47.722 903 2HE LYS 115 1HE LYS 115 64.632 58.284 48.246 904 1HZ LYS 115 2HZ LYS 115 65.160 57.622 45.774 905 2HZ LYS 115 1HZ LYS 115 66.199 58.955 45.850 906 3HZ LYS 115 3HZ LYS 115 66.365 57.653 46.878 907 H LEU 116 H LEU 116 59.908 61.370 49.349 908 HA LEU 116 HA LEU 116 61.882 62.851 51.065 909 1HB LEU 116 2HB LEU 116 60.557 64.665 50.850 910 2HB LEU 116 1HB LEU 116 59.042 63.695 50.550 911 HG LEU 116 HG LEU 116 60.403 63.521 53.266 912 1HD1 LEU 116 2HD1 LEU 116 60.416 65.993 52.780 913 2HD1 LEU 116 1HD1 LEU 116 58.672 66.000 52.400 914 3HD1 LEU 116 3HD1 LEU 116 59.204 65.563 54.063 915 1HD2 LEU 116 3HD2 LEU 116 57.636 63.172 52.108 916 2HD2 LEU 116 2HD2 LEU 116 58.346 62.337 53.557 917 3HD2 LEU 116 1HD2 LEU 116 57.622 63.993 53.678 918 H TYR 117 H TYR 117 62.543 61.816 52.616 919 HA TYR 117 HA TYR 117 61.108 59.404 53.397 920 1HB TYR 117 2HB TYR 117 63.338 61.035 54.784 921 2HB TYR 117 1HB TYR 117 62.895 59.311 55.156 922 HD1 TYR 117 HD2 TYR 117 62.520 58.236 52.259 923 HD2 TYR 117 HD1 TYR 117 65.729 60.674 53.840 924 HE1 TYR 117 HE2 TYR 117 64.018 57.447 50.552 925 HE2 TYR 117 HE1 TYR 117 67.189 59.816 52.051 926 HH TYR 117 HH TYR 117 66.794 57.237 50.478 927 H LEU 118 H LEU 118 60.430 58.704 55.124 928 HA LEU 118 HA LEU 118 59.263 60.851 56.973 929 1HB LEU 118 2HB LEU 118 57.785 59.394 55.234 930 2HB LEU 118 1HB LEU 118 57.832 58.207 56.606 931 HG LEU 118 HG LEU 118 56.515 60.994 56.569 932 1HD1 LEU 118 2HD1 LEU 118 55.375 58.672 56.063 933 2HD1 LEU 118 1HD1 LEU 118 55.774 58.276 57.764 934 3HD1 LEU 118 3HD1 LEU 118 54.661 59.652 57.447 935 1HD2 LEU 118 1HD2 LEU 118 57.320 59.330 59.106 936 2HD2 LEU 118 3HD2 LEU 118 58.000 60.909 58.650 937 3HD2 LEU 118 2HD2 LEU 118 56.211 60.788 59.032 938 H GLU 119 H GLU 119 61.613 59.992 57.518 939 HA GLU 119 HA GLU 119 62.053 57.613 59.091 940 1HB GLU 119 2HB GLU 119 63.550 60.066 58.336 941 2HB GLU 119 1HB GLU 119 63.521 59.839 60.116 942 1HG GLU 119 2HG GLU 119 63.947 57.305 58.612 943 2HG GLU 119 1HG GLU 119 65.170 58.621 58.252 944 H LEU 120 H LEU 120 62.051 57.219 61.151 945 HA LEU 120 HA LEU 120 60.921 59.258 63.014 946 1HB LEU 120 2HB LEU 120 58.797 58.581 63.267 947 2HB LEU 120 1HB LEU 120 59.079 57.963 61.573 948 HG LEU 120 HG LEU 120 59.931 55.823 63.185 949 1HD1 LEU 120 1HD1 LEU 120 58.037 57.479 64.705 950 2HD1 LEU 120 3HD1 LEU 120 57.093 56.072 64.112 951 3HD1 LEU 120 2HD1 LEU 120 58.608 55.752 65.065 952 1HD2 LEU 120 2HD2 LEU 120 57.423 56.445 61.541 953 2HD2 LEU 120 1HD2 LEU 120 58.716 55.265 61.209 954 3HD2 LEU 120 3HD2 LEU 120 57.502 54.932 62.496 955 H THR 121 H THR 121 60.639 58.561 65.172 956 HA THR 121 HA THR 121 62.525 56.299 65.874 957 HB THR 121 HB THR 121 62.127 58.827 67.570 958 HG1 THR 121 1HG THR 121 62.849 59.775 65.920 959 1HG2 THR 121 2HG2 THR 121 64.206 56.533 67.164 960 2HG2 THR 121 1HG2 THR 121 64.837 58.139 67.730 961 3HG2 THR 121 3HG2 THR 121 63.707 57.189 68.765 962 H CYS 122 H CYS 122 61.926 55.334 68.123 963 HA CYS 122 HA CYS 122 59.262 55.882 69.097 964 1HB CYS 122 2HB CYS 122 58.815 53.200 68.346 965 2HB CYS 122 1HB CYS 122 58.291 54.504 67.311 966 HG CYS 122 HG CYS 122 61.457 53.479 67.235 967 H GLY 123 H GLY 123 61.560 56.011 70.156 968 1HA GLY 123 1HA GLY 123 62.531 55.414 72.271 969 2HA GLY 123 2HA GLY 123 61.277 54.077 72.318 970 H ASP 124 H ASP 124 63.954 55.171 70.309 971 HA ASP 124 HA ASP 124 65.924 54.228 69.465 972 1HB ASP 124 2HB ASP 124 65.361 52.037 71.535 973 2HB ASP 124 1HB ASP 124 66.980 52.408 70.689 974 H GLN 125 H GLN 125 63.477 53.676 68.218 975 HA GLN 125 HA GLN 125 64.405 50.990 67.104 976 1HB GLN 125 2HB GLN 125 61.687 51.744 68.212 977 2HB GLN 125 1HB GLN 125 61.639 50.892 66.617 978 1HG GLN 125 2HG GLN 125 63.038 49.705 69.096 979 2HG GLN 125 1HG GLN 125 61.447 49.269 68.292 980 1HE2 GLN 125 1HE2 GLN 125 64.905 48.079 66.614 981 2HE2 GLN 125 2HE2 GLN 125 64.746 48.936 68.325 982 H VAL 126 H VAL 126 64.989 53.696 66.610 983 HA VAL 126 HA VAL 126 64.037 55.313 64.842 984 HB VAL 126 HB VAL 126 66.461 55.267 65.554 985 1HG1 VAL 126 2HG1 VAL 126 66.297 52.624 64.261 986 2HG1 VAL 126 1HG1 VAL 126 67.597 53.645 63.509 987 3HG1 VAL 126 3HG1 VAL 126 67.728 53.328 65.249 988 1HG2 VAL 126 3HG2 VAL 126 65.398 56.226 63.204 989 2HG2 VAL 126 2HG2 VAL 126 67.125 56.471 63.715 990 3HG2 VAL 126 1HG2 VAL 126 66.739 55.173 62.551 991 H CYS 127 H CYS 127 62.284 54.141 63.785 992 HA CYS 127 HA CYS 127 62.853 52.306 61.555 993 1HB CYS 127 2HB CYS 127 60.482 52.590 62.643 994 2HB CYS 127 1HB CYS 127 60.562 54.304 62.132 995 HG CYS 127 HG CYS 127 60.189 51.627 60.292 996 H ARG 128 H ARG 128 63.142 52.491 59.541 997 HA ARG 128 HA ARG 128 63.330 55.378 58.518 998 1HB ARG 128 2HB ARG 128 64.913 52.963 57.360 999 2HB ARG 128 1HB ARG 128 65.247 54.754 57.238 1000 1HG ARG 128 2HG ARG 128 66.845 54.233 58.793 1001 2HG ARG 128 1HG ARG 128 65.488 54.665 59.901 1002 1HD ARG 128 2HD ARG 128 65.006 52.391 60.427 1003 2HD ARG 128 1HD ARG 128 65.625 51.847 58.811 1004 HE ARG 128 HE ARG 128 67.931 52.310 59.665 1005 1HH1 ARG 128 2HH1 ARG 128 65.361 51.467 62.119 1006 2HH1 ARG 128 1HH1 ARG 128 66.530 50.806 63.251 1007 1HH2 ARG 128 2HH2 ARG 128 69.304 51.484 61.165 1008 2HH2 ARG 128 1HH2 ARG 128 68.769 50.832 62.703 1009 H GLN 129 H GLN 129 62.721 55.873 56.470 1010 HA GLN 129 HA GLN 129 61.322 53.490 55.145 1011 1HB GLN 129 2HB GLN 129 59.990 56.230 55.240 1012 2HB GLN 129 1HB GLN 129 59.248 54.603 54.915 1013 1HG GLN 129 2HG GLN 129 60.127 53.971 57.265 1014 2HG GLN 129 1HG GLN 129 60.175 55.820 57.574 1015 1HE2 GLN 129 1HE2 GLN 129 56.672 55.921 58.107 1016 2HE2 GLN 129 2HE2 GLN 129 58.310 56.567 58.350 1017 H VAL 130 H VAL 130 60.359 54.258 52.936 1018 HA VAL 130 HA VAL 130 62.408 56.047 51.637 1019 HB VAL 130 HB VAL 130 62.054 54.156 49.581 1020 1HG1 VAL 130 2HG1 VAL 130 64.256 54.838 50.647 1021 2HG1 VAL 130 1HG1 VAL 130 63.974 53.558 51.926 1022 3HG1 VAL 130 3HG1 VAL 130 64.089 53.073 50.232 1023 1HG2 VAL 130 3HG2 VAL 130 60.505 52.724 50.972 1024 2HG2 VAL 130 2HG2 VAL 130 61.968 51.916 50.285 1025 3HG2 VAL 130 1HG2 VAL 130 62.008 52.370 52.013 1026 H PHE 131 H PHE 131 61.616 57.150 50.033 1027 HA PHE 131 HA PHE 131 58.703 56.757 49.343 1028 1HB PHE 131 2HB PHE 131 60.322 59.216 50.237 1029 2HB PHE 131 1HB PHE 131 58.798 59.376 49.207 1030 HD1 PHE 131 HD1 PHE 131 60.140 57.883 52.323 1031 HD2 PHE 131 HD2 PHE 131 56.653 59.144 50.172 1032 HE1 PHE 131 HE1 PHE 131 58.791 57.445 54.395 1033 HE2 PHE 131 HE2 PHE 131 55.310 58.711 52.233 1034 HZ PHE 131 HZ PHE 131 56.398 57.885 54.267 1035 H LYS 132 H LYS 132 57.992 58.158 47.575 1036 HA LYS 132 HA LYS 132 60.018 58.703 45.487 1037 1HB LYS 132 2HB LYS 132 59.573 56.246 45.006 1038 2HB LYS 132 1HB LYS 132 57.942 56.415 45.719 1039 1HG LYS 132 2HG LYS 132 58.094 56.066 43.172 1040 2HG LYS 132 1HG LYS 132 57.003 57.399 43.722 1041 1HD LYS 132 2HD LYS 132 58.547 59.100 43.122 1042 2HD LYS 132 1HD LYS 132 59.936 57.925 42.923 1043 1HE LYS 132 2HE LYS 132 57.843 57.062 41.150 1044 2HE LYS 132 1HE LYS 132 57.886 58.878 41.043 1045 1HZ LYS 132 2HZ LYS 132 60.359 58.493 40.761 1046 2HZ LYS 132 1HZ LYS 132 59.997 56.862 40.473 1047 3HZ LYS 132 3HZ LYS 132 59.432 58.041 39.468 1048 H LYS 133 H LYS 133 59.181 60.638 44.869 1049 HA LYS 133 HA LYS 133 56.491 61.616 45.612 1050 1HB LYS 133 2HB LYS 133 56.837 63.409 44.058 1051 2HB LYS 133 1HB LYS 133 58.471 62.899 44.790 1052 1HG LYS 133 2HG LYS 133 58.726 61.414 42.785 1053 2HG LYS 133 1HG LYS 133 57.199 62.210 42.077 1054 1HD LYS 133 2HD LYS 133 58.589 64.486 42.296 1055 2HD LYS 133 1HD LYS 133 59.992 63.335 42.420 1056 1HE LYS 133 2HE LYS 133 59.899 62.750 40.301 1057 2HE LYS 133 1HE LYS 133 58.029 62.684 40.279 1058 1HZ LYS 133 1HZ LYS 133 59.588 65.240 40.356 1059 2HZ LYS 133 3HZ LYS 133 59.171 64.552 38.909 1060 3HZ LYS 133 2HZ LYS 133 58.000 65.027 40.024 1061 H LYS 134 H LYS 134 54.675 61.164 45.070 1062 HA LYS 134 HA LYS 134 52.990 59.738 44.235 1063 1HB LYS 134 2HB LYS 134 52.497 60.563 41.707 1064 2HB LYS 134 1HB LYS 134 52.289 61.638 43.136 1065 1HG LYS 134 2HG LYS 134 55.056 61.895 42.061 1066 2HG LYS 134 1HG LYS 134 53.761 62.138 40.763 1067 1HD LYS 134 2HD LYS 134 53.573 63.400 43.509 1068 2HD LYS 134 1HD LYS 134 54.449 64.182 42.123 1069 1HE LYS 134 2HE LYS 134 52.017 63.169 41.061 1070 2HE LYS 134 1HE LYS 134 51.609 64.072 42.656 1071 1HZ LYS 134 2HZ LYS 134 53.361 65.492 40.816 1072 2HZ LYS 134 1HZ LYS 134 51.812 65.273 40.254 1073 3HZ LYS 134 3HZ LYS 134 52.117 66.019 41.724 No H/Q in entry = 1073
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