NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
20295 | 2ffw | 6920 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLN 87 H GLN 87 1.807 0.000 0.855 2 HA GLN 87 HA GLN 87 2.609 -0.944 -1.314 3 1HB GLN 87 2HB GLN 87 0.362 0.833 -2.183 4 2HB GLN 87 3HB GLN 87 1.713 0.552 -3.273 5 1HG GLN 87 2HG GLN 87 1.287 -1.778 -3.341 6 2HG GLN 87 3HG GLN 87 0.128 -1.669 -2.017 7 1HE2 GLN 87 1HE2 GLN 87 0.708 -0.390 -5.271 8 2HE2 GLN 87 2HE2 GLN 87 -0.949 -0.406 -5.760 9 H LYS 88 H LYS 88 4.544 -0.135 -0.622 10 HA LYS 88 HA LYS 88 5.341 2.402 -1.711 11 1HB LYS 88 2HB LYS 88 6.200 3.258 0.497 12 2HB LYS 88 3HB LYS 88 4.451 3.283 0.316 13 1HG LYS 88 2HG LYS 88 5.276 0.793 1.472 14 2HG LYS 88 3HG LYS 88 5.949 2.143 2.388 15 1HD LYS 88 2HD LYS 88 3.085 2.260 1.581 16 2HD LYS 88 3HD LYS 88 3.542 1.190 2.908 17 1HE LYS 88 2HE LYS 88 4.818 3.739 3.225 18 2HE LYS 88 3HE LYS 88 3.084 3.964 2.999 19 1HZ LYS 88 1HZ LYS 88 2.975 2.038 4.742 20 2HZ LYS 88 2HZ LYS 88 3.183 3.641 5.240 21 3HZ LYS 88 3HZ LYS 88 4.514 2.600 5.163 22 H ALA 89 H ALA 89 7.693 2.817 -1.310 23 HA ALA 89 HA ALA 89 9.132 0.253 -1.118 24 1HB ALA 89 1HB ALA 89 10.070 2.724 -2.560 25 2HB ALA 89 2HB ALA 89 10.751 1.099 -2.645 26 3HB ALA 89 3HB ALA 89 9.160 1.426 -3.333 27 H SER 90 H SER 90 11.204 0.237 -0.110 28 HA SER 90 HA SER 90 12.115 2.543 1.353 29 1HB SER 90 2HB SER 90 10.349 1.767 2.858 30 2HB SER 90 3HB SER 90 11.042 0.146 2.861 31 HG SER 90 HG SER 90 12.004 2.501 4.052 32 H VAL 91 H VAL 91 14.236 2.471 1.088 33 HA VAL 91 HA VAL 91 15.566 -0.151 0.967 34 HB VAL 91 HB VAL 91 17.381 0.944 -0.228 35 1HG1 VAL 91 1HG1 VAL 91 16.093 1.659 -2.274 36 2HG1 VAL 91 2HG1 VAL 91 15.678 0.069 -1.629 37 3HG1 VAL 91 3HG1 VAL 91 14.623 1.450 -1.323 38 1HG2 VAL 91 1HG2 VAL 91 16.164 3.319 0.824 39 2HG2 VAL 91 2HG2 VAL 91 17.739 3.119 0.057 40 3HG2 VAL 91 3HG2 VAL 91 16.313 3.443 -0.929 41 H SER 92 H SER 92 17.381 -0.571 2.196 42 HA SER 92 HA SER 92 17.667 1.091 4.570 43 1HB SER 92 2HB SER 92 18.441 -0.776 5.645 44 2HB SER 92 3HB SER 92 17.558 -1.578 4.346 45 HG SER 92 HG SER 92 20.228 -1.533 4.855 46 H GLY 93 H GLY 93 19.822 1.608 5.410 47 1HA GLY 93 2HA GLY 93 22.051 2.237 5.189 48 2HA GLY 93 3HA GLY 93 22.035 1.617 3.545 49 HA PRO 94 HA PRO 94 20.143 6.067 3.326 50 1HB PRO 94 2HB PRO 94 20.332 7.572 5.577 51 2HB PRO 94 3HB PRO 94 18.939 6.543 5.224 52 1HG PRO 94 2HG PRO 94 21.286 6.009 7.004 53 2HG PRO 94 3HG PRO 94 19.567 5.680 7.290 54 1HD PRO 94 2HD PRO 94 21.308 3.759 6.506 55 2HD PRO 94 3HD PRO 94 19.598 3.751 6.029 56 H ASN 95 H ASN 95 21.147 8.267 3.245 57 HA ASN 95 HA ASN 95 23.855 8.111 2.559 58 1HB ASN 95 2HB ASN 95 22.009 10.433 3.079 59 2HB ASN 95 3HB ASN 95 23.700 10.683 2.654 60 1HD2 ASN 95 1HD2 ASN 95 20.719 10.646 1.418 61 2HD2 ASN 95 2HD2 ASN 95 21.058 10.177 -0.210 62 H SER 96 H SER 96 25.696 9.146 3.516 63 HA SER 96 HA SER 96 25.570 10.014 6.262 64 1HB SER 96 2HB SER 96 26.864 7.388 5.519 65 2HB SER 96 3HB SER 96 27.268 8.267 6.993 66 HG SER 96 HG SER 96 25.647 6.746 7.406 67 HA PRO 97 HA PRO 97 28.942 11.816 3.598 68 1HB PRO 97 2HB PRO 97 28.266 14.404 4.068 69 2HB PRO 97 3HB PRO 97 27.551 13.445 2.766 70 1HG PRO 97 2HG PRO 97 26.451 14.076 5.478 71 2HG PRO 97 3HG PRO 97 25.627 14.077 3.908 72 1HD PRO 97 2HD PRO 97 25.409 12.029 5.666 73 2HD PRO 97 3HD PRO 97 25.354 11.789 3.908 74 H SER 98 H SER 98 30.819 11.739 4.654 75 HA SER 98 HA SER 98 31.103 12.155 7.433 76 1HB SER 98 2HB SER 98 33.223 12.119 5.271 77 2HB SER 98 3HB SER 98 33.528 11.991 7.003 78 HG SER 98 HG SER 98 33.406 9.957 5.796 79 H GLU 99 H GLU 99 30.502 14.138 8.160 80 HA GLU 99 HA GLU 99 31.741 16.498 6.927 81 1HB GLU 99 2HB GLU 99 30.043 17.805 8.115 82 2HB GLU 99 3HB GLU 99 29.305 16.570 7.104 83 1HG GLU 99 2HG GLU 99 29.833 15.828 9.910 84 2HG GLU 99 3HG GLU 99 28.579 17.035 9.633 85 H THR 100 H THR 100 33.081 14.601 8.766 86 HA THR 100 HA THR 100 33.372 15.963 11.281 87 HB THR 100 HB THR 100 33.667 13.571 11.263 88 HG1 THR 100 HG1 THR 100 34.973 14.539 12.779 89 1HG2 THR 100 1HG2 THR 100 36.145 13.153 10.017 90 2HG2 THR 100 2HG2 THR 100 35.196 14.117 8.885 91 3HG2 THR 100 3HG2 THR 100 34.567 12.580 9.480 92 H ARG 101 H ARG 101 35.273 16.981 12.056 93 HA ARG 101 HA ARG 101 37.185 17.849 10.003 94 1HB ARG 101 2HB ARG 101 37.078 20.134 10.725 95 2HB ARG 101 3HB ARG 101 35.440 19.603 10.365 96 1HG ARG 101 2HG ARG 101 35.279 19.111 12.887 97 2HG ARG 101 3HG ARG 101 36.702 20.146 13.020 98 1HD ARG 101 2HD ARG 101 34.991 21.567 11.372 99 2HD ARG 101 3HD ARG 101 33.921 20.851 12.577 100 HE ARG 101 HE ARG 101 35.776 22.975 12.984 101 1HH1 ARG 101 2HH1 ARG 101 34.275 20.240 14.530 102 2HH1 ARG 101 1HH1 ARG 101 34.436 20.889 16.128 103 1HH2 ARG 101 2HH2 ARG 101 35.994 23.840 15.083 104 2HH2 ARG 101 1HH2 ARG 101 35.413 22.938 16.442 105 H ARG 102 H ARG 102 39.119 18.953 11.036 106 HA ARG 102 HA ARG 102 39.719 17.798 13.673 107 1HB ARG 102 2HB ARG 102 42.041 17.346 12.841 108 2HB ARG 102 3HB ARG 102 40.795 16.340 12.112 109 1HG ARG 102 2HG ARG 102 41.403 16.995 10.090 110 2HG ARG 102 3HG ARG 102 41.143 18.685 10.526 111 1HD ARG 102 2HD ARG 102 43.354 18.857 10.128 112 2HD ARG 102 3HD ARG 102 43.491 18.222 11.767 113 HE ARG 102 HE ARG 102 43.355 16.138 9.828 114 1HH1 ARG 102 2HH1 ARG 102 45.489 18.475 11.278 115 2HH1 ARG 102 1HH1 ARG 102 46.922 17.551 10.971 116 1HH2 ARG 102 2HH2 ARG 102 45.234 14.912 9.418 117 2HH2 ARG 102 1HH2 ARG 102 46.776 15.525 9.912 118 H GLU 103 H GLU 103 42.133 18.734 14.213 119 HA GLU 103 HA GLU 103 42.514 21.468 13.449 120 1HB GLU 103 2HB GLU 103 40.624 21.144 15.389 121 2HB GLU 103 3HB GLU 103 42.078 21.332 16.358 122 1HG GLU 103 2HG GLU 103 41.023 23.256 14.301 123 2HG GLU 103 3HG GLU 103 41.025 23.469 16.051 124 H ARG 104 H ARG 104 44.646 21.240 13.131 125 HA ARG 104 HA ARG 104 46.259 20.225 15.379 126 1HB ARG 104 2HB ARG 104 46.187 18.809 13.247 127 2HB ARG 104 3HB ARG 104 47.106 20.103 12.491 128 1HG ARG 104 2HG ARG 104 48.940 19.771 13.977 129 2HG ARG 104 3HG ARG 104 48.003 18.649 14.966 130 1HD ARG 104 2HD ARG 104 48.553 18.134 12.058 131 2HD ARG 104 3HD ARG 104 49.689 17.657 13.320 132 HE ARG 104 HE ARG 104 47.172 16.673 14.012 133 1HH1 ARG 104 2HH1 ARG 104 49.590 16.219 11.549 134 2HH1 ARG 104 1HH1 ARG 104 49.177 14.561 11.265 135 1HH2 ARG 104 2HH2 ARG 104 46.618 14.490 13.647 136 2HH2 ARG 104 1HH2 ARG 104 47.486 13.578 12.459 137 H ALA 105 H ALA 105 48.219 21.274 15.820 138 HA ALA 105 HA ALA 105 48.978 23.615 14.299 139 1HB ALA 105 1HB ALA 105 47.244 23.897 16.521 140 2HB ALA 105 2HB ALA 105 48.820 24.543 16.980 141 3HB ALA 105 3HB ALA 105 47.996 25.161 15.548 142 H PHE 106 H PHE 106 50.989 24.583 15.092 143 HA PHE 106 HA PHE 106 52.510 23.115 17.063 144 1HB PHE 106 2HB PHE 106 52.920 22.760 14.150 145 2HB PHE 106 3HB PHE 106 54.373 22.983 15.118 146 HD1 PHE 106 HD1 PHE 106 54.362 21.517 17.360 147 HD2 PHE 106 HD2 PHE 106 52.227 20.610 13.792 148 HE1 PHE 106 HE1 PHE 106 54.298 19.143 18.006 149 HE2 PHE 106 HE2 PHE 106 52.158 18.236 14.432 150 HZ PHE 106 HZ PHE 106 53.193 17.499 16.541 151 H ASP 107 H ASP 107 52.281 25.320 17.916 152 HA ASP 107 HA ASP 107 54.029 27.290 16.623 153 1HB ASP 107 2HB ASP 107 51.554 27.481 18.025 154 2HB ASP 107 3HB ASP 107 52.771 28.358 18.948 155 H ALA 108 H ALA 108 55.296 28.691 18.201 156 HA ALA 108 HA ALA 108 57.159 27.083 19.565 157 1HB ALA 108 1HB ALA 108 56.672 30.049 19.556 158 2HB ALA 108 2HB ALA 108 57.982 29.303 20.472 159 3HB ALA 108 3HB ALA 108 57.930 29.142 18.717 160 H ASN 109 H ASN 109 57.792 27.953 21.942 161 HA ASN 109 HA ASN 109 55.648 27.014 23.619 162 1HB ASN 109 2HB ASN 109 58.527 27.722 24.029 163 2HB ASN 109 3HB ASN 109 57.465 27.625 25.431 164 1HD2 ASN 109 1HD2 ASN 109 59.734 25.959 24.685 165 2HD2 ASN 109 2HD2 ASN 109 59.131 24.342 24.596 166 H THR 110 H THR 110 54.055 28.344 24.173 167 HA THR 110 HA THR 110 54.754 31.017 25.171 168 HB THR 110 HB THR 110 53.895 31.348 22.914 169 HG1 THR 110 HG1 THR 110 52.297 32.824 23.484 170 1HG2 THR 110 1HG2 THR 110 51.329 30.056 23.833 171 2HG2 THR 110 2HG2 THR 110 52.551 29.219 22.877 172 3HG2 THR 110 3HG2 THR 110 51.729 30.631 22.215 173 H MET 111 H MET 111 53.333 31.872 26.745 174 HA MET 111 HA MET 111 52.094 29.861 28.384 175 1HB MET 111 2HB MET 111 52.193 32.864 28.723 176 2HB MET 111 3HB MET 111 51.664 31.714 29.943 177 1HG MET 111 2HG MET 111 54.400 31.527 28.754 178 2HG MET 111 3HG MET 111 54.054 32.661 30.058 179 1HE MET 111 1HE MET 111 55.901 29.032 30.817 180 2HE MET 111 2HE MET 111 56.061 30.383 29.695 181 3HE MET 111 3HE MET 111 56.237 30.651 31.430 182 H THR 112 H THR 112 50.099 29.151 28.071 183 HA THR 112 HA THR 112 48.085 31.026 27.012 184 HB THR 112 HB THR 112 46.973 28.670 26.381 185 HG1 THR 112 HG1 THR 112 48.523 27.238 26.856 186 1HG2 THR 112 1HG2 THR 112 48.669 29.097 24.215 187 2HG2 THR 112 2HG2 THR 112 48.528 30.677 24.986 188 3HG2 THR 112 3HG2 THR 112 47.079 29.816 24.467 189 H SER 113 H SER 113 48.346 27.973 28.842 190 HA SER 113 HA SER 113 46.751 29.015 30.988 191 1HB SER 113 2HB SER 113 45.570 27.110 28.993 192 2HB SER 113 3HB SER 113 45.068 27.035 30.682 193 HG SER 113 HG SER 113 44.643 29.031 28.778 194 H ALA 114 H ALA 114 47.352 25.789 29.587 195 HA ALA 114 HA ALA 114 48.997 25.133 31.923 196 1HB ALA 114 1HB ALA 114 47.623 22.785 31.469 197 2HB ALA 114 2HB ALA 114 47.340 23.919 32.791 198 3HB ALA 114 3HB ALA 114 46.380 24.027 31.315 199 H GLU 115 H GLU 115 50.845 25.128 30.660 200 HA GLU 115 HA GLU 115 51.027 22.901 28.746 201 1HB GLU 115 2HB GLU 115 52.581 25.443 28.358 202 2HB GLU 115 3HB GLU 115 52.244 24.170 27.193 203 1HG GLU 115 2HG GLU 115 49.736 25.061 27.857 204 2HG GLU 115 3HG GLU 115 50.699 26.537 27.879 205 H LYS 116 H LYS 116 53.246 25.294 30.183 206 HA LYS 116 HA LYS 116 55.185 25.067 31.349 207 1HB LYS 116 2HB LYS 116 53.437 23.075 32.370 208 2HB LYS 116 3HB LYS 116 55.035 22.353 32.244 209 1HG LYS 116 2HG LYS 116 55.960 24.223 33.547 210 2HG LYS 116 3HG LYS 116 54.332 24.885 33.716 211 1HD LYS 116 2HD LYS 116 54.595 22.064 34.487 212 2HD LYS 116 3HD LYS 116 55.515 23.190 35.489 213 1HE LYS 116 2HE LYS 116 52.909 24.263 35.001 214 2HE LYS 116 3HE LYS 116 52.755 22.611 35.597 215 1HZ LYS 116 1HZ LYS 116 54.707 23.977 37.100 216 2HZ LYS 116 2HZ LYS 116 53.247 23.305 37.626 217 3HZ LYS 116 3HZ LYS 116 53.291 24.902 37.070 218 H VAL 117 H VAL 117 57.027 23.167 31.713 219 HA VAL 117 HA VAL 117 58.093 22.799 29.086 220 HB VAL 117 HB VAL 117 59.480 23.275 31.120 221 1HG1 VAL 117 1HG1 VAL 117 60.087 21.415 32.578 222 2HG1 VAL 117 2HG1 VAL 117 58.355 21.742 32.660 223 3HG1 VAL 117 3HG1 VAL 117 58.951 20.368 31.728 224 1HG2 VAL 117 1HG2 VAL 117 60.238 22.166 28.894 225 2HG2 VAL 117 2HG2 VAL 117 61.339 22.193 30.272 226 3HG2 VAL 117 3HG2 VAL 117 60.439 20.725 29.891 227 H LEU 118 H LEU 118 58.734 20.787 28.136 228 HA LEU 118 HA LEU 118 56.750 18.709 28.539 229 1HB LEU 118 2HB LEU 118 58.686 19.446 26.431 230 2HB LEU 118 3HB LEU 118 58.308 17.732 26.583 231 HG LEU 118 HG LEU 118 55.946 19.457 26.513 232 1HD1 LEU 118 1HD1 LEU 118 57.400 20.740 25.018 233 2HD1 LEU 118 2HD1 LEU 118 56.086 19.959 24.141 234 3HD1 LEU 118 3HD1 LEU 118 57.713 19.282 24.077 235 1HD2 LEU 118 1HD2 LEU 118 56.439 17.353 24.506 236 2HD2 LEU 118 2HD2 LEU 118 55.023 17.656 25.513 237 3HD2 LEU 118 3HD2 LEU 118 56.428 16.832 26.191 238 H CYS 119 H CYS 119 57.171 16.505 29.117 239 HA CYS 119 HA CYS 119 59.268 16.193 30.935 240 1HB CYS 119 2HB CYS 119 57.149 14.940 31.068 241 2HB CYS 119 3HB CYS 119 57.550 14.076 29.597 242 H GLN 120 H GLN 120 61.340 15.912 30.464 243 HA GLN 120 HA GLN 120 62.324 15.487 27.840 244 1HB GLN 120 2HB GLN 120 63.465 16.700 29.791 245 2HB GLN 120 3HB GLN 120 63.925 15.101 30.361 246 1HG GLN 120 2HG GLN 120 64.834 14.849 27.909 247 2HG GLN 120 3HG GLN 120 64.858 16.610 27.978 248 1HE2 GLN 120 1HE2 GLN 120 66.481 13.771 28.756 249 2HE2 GLN 120 2HE2 GLN 120 67.718 14.449 29.753 250 H PHE 121 H PHE 121 61.913 13.395 30.649 251 HA PHE 121 HA PHE 121 63.275 11.153 29.585 252 1HB PHE 121 2HB PHE 121 62.142 11.797 32.019 253 2HB PHE 121 3HB PHE 121 61.089 10.517 31.423 254 HD1 PHE 121 HD1 PHE 121 63.256 10.710 33.763 255 HD2 PHE 121 HD2 PHE 121 63.117 8.920 29.904 256 HE1 PHE 121 HE1 PHE 121 64.899 9.029 34.488 257 HE2 PHE 121 HE2 PHE 121 64.760 7.235 30.623 258 HZ PHE 121 HZ PHE 121 65.652 7.288 32.918 259 H CYS 122 H CYS 122 60.030 12.464 29.081 260 HA CYS 122 HA CYS 122 58.805 10.096 28.267 261 1HB CYS 122 2HB CYS 122 58.235 12.998 28.065 262 2HB CYS 122 3HB CYS 122 57.490 12.007 26.826 263 H ASP 123 H ASP 123 58.281 9.522 26.044 264 HA ASP 123 HA ASP 123 60.009 10.547 23.937 265 1HB ASP 123 2HB ASP 123 60.644 8.171 25.348 266 2HB ASP 123 3HB ASP 123 60.074 7.688 23.753 267 H GLN 124 H GLN 124 57.117 10.468 24.576 268 HA GLN 124 HA GLN 124 55.848 8.603 22.848 269 1HB GLN 124 2HB GLN 124 54.987 11.052 24.330 270 2HB GLN 124 3HB GLN 124 53.932 10.396 23.085 271 1HG GLN 124 2HG GLN 124 53.653 8.371 24.235 272 2HG GLN 124 3HG GLN 124 55.007 8.703 25.313 273 1HE2 GLN 124 1HE2 GLN 124 54.182 8.861 27.279 274 2HE2 GLN 124 2HE2 GLN 124 52.833 9.840 27.732 275 H ASP 125 H ASP 125 56.753 12.012 22.513 276 HA ASP 125 HA ASP 125 56.992 13.358 20.695 277 1HB ASP 125 2HB ASP 125 58.466 11.421 20.004 278 2HB ASP 125 3HB ASP 125 57.103 10.818 19.064 279 HA PRO 126 HA PRO 126 55.927 14.927 21.025 280 1HB PRO 126 2HB PRO 126 53.743 15.983 22.243 281 2HB PRO 126 3HB PRO 126 54.242 16.433 20.608 282 1HG PRO 126 2HG PRO 126 52.125 14.504 21.480 283 2HG PRO 126 3HG PRO 126 52.071 15.716 20.187 284 1HD PRO 126 2HD PRO 126 52.511 13.089 19.703 285 2HD PRO 126 3HD PRO 126 53.225 14.375 18.709 286 H ALA 127 H ALA 127 56.402 15.131 23.240 287 HA ALA 127 HA ALA 127 55.965 12.738 24.774 288 1HB ALA 127 1HB ALA 127 58.009 13.371 25.406 289 2HB ALA 127 2HB ALA 127 57.752 15.033 24.875 290 3HB ALA 127 3HB ALA 127 57.196 14.521 26.468 291 H GLN 128 H GLN 128 55.627 13.281 27.295 292 HA GLN 128 HA GLN 128 52.983 14.532 27.413 293 1HB GLN 128 2HB GLN 128 53.738 12.124 28.319 294 2HB GLN 128 3HB GLN 128 54.089 13.078 29.754 295 1HG GLN 128 2HG GLN 128 51.766 13.921 29.711 296 2HG GLN 128 3HG GLN 128 51.438 12.850 28.349 297 1HE2 GLN 128 1HE2 GLN 128 49.946 11.582 29.351 298 2HE2 GLN 128 2HE2 GLN 128 50.315 10.531 30.672 299 H ASP 129 H ASP 129 52.526 16.265 28.667 300 HA ASP 129 HA ASP 129 54.473 18.103 29.343 301 1HB ASP 129 2HB ASP 129 51.744 17.792 30.614 302 2HB ASP 129 3HB ASP 129 52.741 19.243 30.664 303 H ALA 130 H ALA 130 55.735 18.500 31.076 304 HA ALA 130 HA ALA 130 55.870 16.435 33.124 305 1HB ALA 130 1HB ALA 130 57.720 18.407 31.993 306 2HB ALA 130 2HB ALA 130 57.874 18.168 33.734 307 3HB ALA 130 3HB ALA 130 58.030 16.795 32.639 308 H VAL 131 H VAL 131 54.431 16.713 34.724 309 HA VAL 131 HA VAL 131 53.905 19.397 35.754 310 HB VAL 131 HB VAL 131 52.143 18.280 37.115 311 1HG1 VAL 131 1HG1 VAL 131 50.599 18.103 35.355 312 2HG1 VAL 131 2HG1 VAL 131 51.831 19.219 34.763 313 3HG1 VAL 131 3HG1 VAL 131 51.826 17.540 34.221 314 1HG2 VAL 131 1HG2 VAL 131 52.181 15.824 35.535 315 2HG2 VAL 131 2HG2 VAL 131 53.558 15.984 36.626 316 3HG2 VAL 131 3HG2 VAL 131 51.915 16.056 37.262 317 H LYS 132 H LYS 132 56.419 17.770 36.214 318 HA LYS 132 HA LYS 132 56.537 18.240 39.091 319 1HB LYS 132 2HB LYS 132 57.449 15.639 37.848 320 2HB LYS 132 3HB LYS 132 57.590 16.088 39.543 321 1HG LYS 132 2HG LYS 132 54.972 15.796 38.088 322 2HG LYS 132 3HG LYS 132 55.728 14.521 39.047 323 1HD LYS 132 2HD LYS 132 55.556 17.044 40.483 324 2HD LYS 132 3HD LYS 132 53.975 16.447 39.974 325 1HE LYS 132 2HE LYS 132 55.910 14.571 41.255 326 2HE LYS 132 3HE LYS 132 55.011 15.704 42.263 327 1HZ LYS 132 1HZ LYS 132 53.009 14.728 41.725 328 2HZ LYS 132 2HZ LYS 132 54.032 13.383 41.804 329 3HZ LYS 132 3HZ LYS 132 53.594 14.025 40.301 330 H THR 133 H THR 133 58.792 18.201 39.905 331 HA THR 133 HA THR 133 60.928 18.381 37.977 332 HB THR 133 HB THR 133 60.628 20.868 39.592 333 HG1 THR 133 HG1 THR 133 59.331 20.523 37.080 334 1HG2 THR 133 1HG2 THR 133 61.580 21.764 37.367 335 2HG2 THR 133 2HG2 THR 133 61.859 20.067 36.974 336 3HG2 THR 133 3HG2 THR 133 62.630 20.783 38.389 337 H CYS 134 H CYS 134 62.301 16.975 39.076 338 HA CYS 134 HA CYS 134 62.515 17.289 41.936 339 1HB CYS 134 2HB CYS 134 62.387 15.028 40.979 340 2HB CYS 134 3HB CYS 134 63.845 15.315 40.050 341 H VAL 135 H VAL 135 63.781 18.908 42.577 342 HA VAL 135 HA VAL 135 65.720 20.240 41.068 343 HB VAL 135 HB VAL 135 66.508 21.176 43.244 344 1HG1 VAL 135 1HG1 VAL 135 64.061 21.531 41.933 345 2HG1 VAL 135 2HG1 VAL 135 63.685 21.532 43.657 346 3HG1 VAL 135 3HG1 VAL 135 64.874 22.664 43.013 347 1HG2 VAL 135 1HG2 VAL 135 65.120 20.597 45.255 348 2HG2 VAL 135 2HG2 VAL 135 64.500 19.219 44.345 349 3HG2 VAL 135 3HG2 VAL 135 66.220 19.327 44.718 350 H THR 136 H THR 136 66.022 17.593 43.390 351 HA THR 136 HA THR 136 68.827 17.521 43.524 352 HB THR 136 HB THR 136 66.799 15.316 43.912 353 HG1 THR 136 HG1 THR 136 67.433 15.757 46.159 354 1HG2 THR 136 1HG2 THR 136 68.677 14.179 45.150 355 2HG2 THR 136 2HG2 THR 136 69.774 15.343 44.406 356 3HG2 THR 136 3HG2 THR 136 68.856 14.226 43.397 357 H CYS 137 H CYS 137 66.515 16.124 41.164 358 HA CYS 137 HA CYS 137 68.625 14.622 39.918 359 1HB CYS 137 2HB CYS 137 65.677 14.970 39.369 360 2HB CYS 137 3HB CYS 137 66.728 14.205 38.194 361 H GLU 138 H GLU 138 67.187 17.726 39.831 362 HA GLU 138 HA GLU 138 67.569 19.608 38.611 363 1HB GLU 138 2HB GLU 138 69.993 18.484 38.807 364 2HB GLU 138 3HB GLU 138 69.791 18.388 37.063 365 1HG GLU 138 2HG GLU 138 69.303 20.836 37.065 366 2HG GLU 138 3HG GLU 138 69.741 20.861 38.772 367 H VAL 139 H VAL 139 65.766 17.594 37.638 368 HA VAL 139 HA VAL 139 65.600 18.479 34.876 369 HB VAL 139 HB VAL 139 65.671 15.542 35.581 370 1HG1 VAL 139 1HG1 VAL 139 63.967 15.920 33.929 371 2HG1 VAL 139 2HG1 VAL 139 65.056 16.929 32.975 372 3HG1 VAL 139 3HG1 VAL 139 65.370 15.201 33.141 373 1HG2 VAL 139 1HG2 VAL 139 67.592 15.485 34.032 374 2HG2 VAL 139 2HG2 VAL 139 67.506 17.242 33.893 375 3HG2 VAL 139 3HG2 VAL 139 67.891 16.498 35.446 376 H SER 140 H SER 140 63.521 18.504 34.072 377 HA SER 140 HA SER 140 61.423 18.144 36.064 378 1HB SER 140 2HB SER 140 60.012 19.276 34.241 379 2HB SER 140 3HB SER 140 61.275 20.248 34.997 380 HG SER 140 HG SER 140 61.154 19.168 32.418 381 H TYR 141 H TYR 141 59.986 16.537 36.033 382 HA TYR 141 HA TYR 141 59.762 14.905 33.592 383 1HB TYR 141 2HB TYR 141 59.768 13.860 36.431 384 2HB TYR 141 3HB TYR 141 59.602 12.895 34.968 385 HD1 TYR 141 HD1 TYR 141 61.604 13.350 33.210 386 HD2 TYR 141 HD2 TYR 141 61.841 13.864 37.427 387 HE1 TYR 141 HE1 TYR 141 64.048 13.094 33.098 388 HE2 TYR 141 HE2 TYR 141 64.285 13.611 37.327 389 HH TYR 141 HH TYR 141 65.914 12.652 34.389 390 H CYS 142 H CYS 142 57.706 13.318 33.837 391 HA CYS 142 HA CYS 142 55.547 15.121 34.607 392 1HB CYS 142 2HB CYS 142 54.130 13.850 33.114 393 2HB CYS 142 3HB CYS 142 55.580 14.337 32.260 394 H ASP 143 H ASP 143 53.630 12.987 34.725 395 HA ASP 143 HA ASP 143 54.052 12.109 37.437 396 1HB ASP 143 2HB ASP 143 51.801 12.373 35.608 397 2HB ASP 143 3HB ASP 143 51.746 10.862 36.512 398 H GLU 144 H GLU 144 53.083 10.316 34.505 399 HA GLU 144 HA GLU 144 53.458 7.765 35.353 400 1HB GLU 144 2HB GLU 144 53.874 9.066 32.692 401 2HB GLU 144 3HB GLU 144 54.316 7.376 32.895 402 1HG GLU 144 2HG GLU 144 51.608 8.340 33.709 403 2HG GLU 144 3HG GLU 144 51.964 7.978 32.022 404 H CYS 145 H CYS 145 56.068 9.681 33.670 405 HA CYS 145 HA CYS 145 58.054 7.851 33.989 406 1HB CYS 145 2HB CYS 145 58.125 10.872 33.908 407 2HB CYS 145 3HB CYS 145 59.593 9.924 34.024 408 H LEU 146 H LEU 146 57.231 10.582 36.128 409 HA LEU 146 HA LEU 146 59.013 10.169 38.181 410 1HB LEU 146 2HB LEU 146 57.586 12.117 38.066 411 2HB LEU 146 3HB LEU 146 56.158 11.122 38.341 412 HG LEU 146 HG LEU 146 57.528 10.557 40.579 413 1HD1 LEU 146 1HD1 LEU 146 59.041 12.614 39.474 414 2HD1 LEU 146 2HD1 LEU 146 59.115 12.009 41.128 415 3HD1 LEU 146 3HD1 LEU 146 58.081 13.383 40.738 416 1HD2 LEU 146 1HD2 LEU 146 56.211 12.573 41.556 417 2HD2 LEU 146 2HD2 LEU 146 55.332 11.233 40.820 418 3HD2 LEU 146 3HD2 LEU 146 55.582 12.727 39.915 419 H LYS 147 H LYS 147 56.137 8.376 37.407 420 HA LYS 147 HA LYS 147 55.844 7.062 39.915 421 1HB LYS 147 2HB LYS 147 54.204 7.304 37.852 422 2HB LYS 147 3HB LYS 147 54.942 5.781 37.372 423 1HG LYS 147 2HG LYS 147 54.356 4.973 39.730 424 2HG LYS 147 3HG LYS 147 53.299 6.385 39.802 425 1HD LYS 147 2HD LYS 147 52.996 4.872 37.333 426 2HD LYS 147 3HD LYS 147 52.642 3.912 38.771 427 1HE LYS 147 2HE LYS 147 50.597 4.900 38.153 428 2HE LYS 147 3HE LYS 147 51.181 5.845 39.522 429 1HZ LYS 147 1HZ LYS 147 52.240 7.176 37.456 430 2HZ LYS 147 2HZ LYS 147 50.762 7.568 38.177 431 3HZ LYS 147 3HZ LYS 147 50.793 6.634 36.768 432 H ALA 148 H ALA 148 57.504 6.259 36.900 433 HA ALA 148 HA ALA 148 58.362 3.681 37.864 434 1HB ALA 148 1HB ALA 148 59.793 4.769 35.561 435 2HB ALA 148 2HB ALA 148 58.897 3.259 35.733 436 3HB ALA 148 3HB ALA 148 58.039 4.757 35.371 437 H THR 149 H THR 149 59.996 6.747 37.070 438 HA THR 149 HA THR 149 62.535 5.924 38.023 439 HB THR 149 HB THR 149 61.528 8.761 37.750 440 HG1 THR 149 HG1 THR 149 61.320 8.020 35.730 441 1HG2 THR 149 1HG2 THR 149 63.834 7.966 38.887 442 2HG2 THR 149 2HG2 THR 149 63.675 9.463 37.968 443 3HG2 THR 149 3HG2 THR 149 64.337 8.021 37.198 444 H HIS 150 H HIS 150 59.956 7.900 39.460 445 HA HIS 150 HA HIS 150 61.304 7.623 42.065 446 1HB HIS 150 2HB HIS 150 59.425 9.772 41.068 447 2HB HIS 150 3HB HIS 150 59.973 9.640 42.737 448 HD2 HIS 150 HD2 HIS 150 61.065 12.291 41.998 449 HE1 HIS 150 HE1 HIS 150 64.444 10.515 40.148 450 HA PRO 151 HA PRO 151 57.402 5.107 42.235 451 1HB PRO 151 2HB PRO 151 58.551 2.975 43.462 452 2HB PRO 151 3HB PRO 151 58.531 3.177 41.707 453 1HG PRO 151 2HG PRO 151 60.724 3.770 43.656 454 2HG PRO 151 3HG PRO 151 60.821 2.989 42.067 455 1HD PRO 151 2HD PRO 151 61.466 5.591 42.454 456 2HD PRO 151 3HD PRO 151 60.760 4.998 40.937 457 H ASN 152 H ASN 152 56.776 6.778 43.775 458 HA ASN 152 HA ASN 152 57.497 6.175 46.560 459 1HB ASN 152 2HB ASN 152 56.807 8.408 47.120 460 2HB ASN 152 3HB ASN 152 57.859 8.509 45.711 461 1HD2 ASN 152 1HD2 ASN 152 57.166 9.674 44.071 462 2HD2 ASN 152 2HD2 ASN 152 55.529 10.143 43.779 463 H LYS 153 H LYS 153 55.942 5.760 48.096 464 HA LYS 153 HA LYS 153 53.307 5.033 47.036 465 1HB LYS 153 2HB LYS 153 53.074 3.683 49.083 466 2HB LYS 153 3HB LYS 153 54.509 3.245 48.166 467 1HG LYS 153 2HG LYS 153 55.929 3.973 49.772 468 2HG LYS 153 3HG LYS 153 54.851 5.268 50.296 469 1HD LYS 153 2HD LYS 153 54.714 3.841 52.091 470 2HD LYS 153 3HD LYS 153 53.359 3.270 51.114 471 1HE LYS 153 2HE LYS 153 54.334 1.288 50.707 472 2HE LYS 153 3HE LYS 153 55.925 2.011 50.472 473 1HZ LYS 153 1HZ LYS 153 55.250 2.233 53.178 474 2HZ LYS 153 2HZ LYS 153 56.492 1.321 52.481 475 3HZ LYS 153 3HZ LYS 153 54.963 0.633 52.709 476 H LYS 154 H LYS 154 54.284 7.777 47.866 477 HA LYS 154 HA LYS 154 53.405 9.634 48.843 478 1HB LYS 154 2HB LYS 154 51.127 7.823 48.505 479 2HB LYS 154 3HB LYS 154 50.903 8.993 49.798 480 1HG LYS 154 2HG LYS 154 50.469 10.601 48.342 481 2HG LYS 154 3HG LYS 154 51.978 10.293 47.479 482 1HD LYS 154 2HD LYS 154 50.832 8.412 46.302 483 2HD LYS 154 3HD LYS 154 49.324 8.920 47.065 484 1HE LYS 154 2HE LYS 154 49.686 11.182 46.031 485 2HE LYS 154 3HE LYS 154 51.022 10.477 45.123 486 1HZ LYS 154 1HZ LYS 154 49.247 10.305 43.678 487 2HZ LYS 154 2HZ LYS 154 48.137 9.922 44.894 488 3HZ LYS 154 3HZ LYS 154 49.268 8.770 44.389 489 HA PRO 155 HA PRO 155 51.729 10.928 50.176 490 1HB PRO 155 2HB PRO 155 52.636 12.941 51.755 491 2HB PRO 155 3HB PRO 155 51.265 11.916 52.197 492 1HG PRO 155 2HG PRO 155 54.119 11.748 53.084 493 2HG PRO 155 3HG PRO 155 52.638 11.575 54.043 494 1HD PRO 155 2HD PRO 155 54.078 9.446 53.191 495 2HD PRO 155 3HD PRO 155 52.313 9.391 53.381 496 H PHE 156 H PHE 156 55.090 11.079 51.329 497 HA PHE 156 HA PHE 156 56.045 11.746 48.710 498 1HB PHE 156 2HB PHE 156 55.211 13.919 50.101 499 2HB PHE 156 3HB PHE 156 56.883 13.820 50.642 500 HD1 PHE 156 HD1 PHE 156 58.332 12.948 48.314 501 HD2 PHE 156 HD2 PHE 156 55.050 15.644 48.591 502 HE1 PHE 156 HE1 PHE 156 59.068 14.051 46.242 503 HE2 PHE 156 HE2 PHE 156 55.780 16.751 46.518 504 HZ PHE 156 HZ PHE 156 57.791 15.954 45.340 505 H THR 157 H THR 157 56.573 9.605 50.366 506 HA THR 157 HA THR 157 59.121 10.103 51.682 507 HB THR 157 HB THR 157 57.543 8.617 52.806 508 HG1 THR 157 HG1 THR 157 59.280 7.626 53.472 509 1HG2 THR 157 1HG2 THR 157 57.635 6.228 51.416 510 2HG2 THR 157 2HG2 THR 157 57.368 7.431 50.154 511 3HG2 THR 157 3HG2 THR 157 56.254 7.319 51.516 512 H GLY 158 H GLY 158 59.358 10.641 49.021 513 1HA GLY 158 2HA GLY 158 60.978 8.359 48.077 514 2HA GLY 158 3HA GLY 158 59.949 9.269 46.981 515 H HIS 159 H HIS 159 60.715 11.091 46.056 516 HA HIS 159 HA HIS 159 63.449 11.886 46.794 517 1HB HIS 159 2HB HIS 159 62.366 11.208 44.318 518 2HB HIS 159 3HB HIS 159 62.481 12.965 44.274 519 HD2 HIS 159 HD2 HIS 159 65.400 12.841 46.111 520 HE1 HIS 159 HE1 HIS 159 66.775 11.081 42.504 521 H ARG 160 H ARG 160 63.659 14.330 45.661 522 HA ARG 160 HA ARG 160 61.817 15.929 47.298 523 1HB ARG 160 2HB ARG 160 64.632 16.349 46.352 524 2HB ARG 160 3HB ARG 160 63.642 17.727 46.814 525 1HG ARG 160 2HG ARG 160 63.346 16.807 49.035 526 2HG ARG 160 3HG ARG 160 64.263 15.370 48.580 527 1HD ARG 160 2HD ARG 160 66.264 16.461 48.635 528 2HD ARG 160 3HD ARG 160 65.555 18.009 48.177 529 HE ARG 160 HE ARG 160 65.916 16.982 50.842 530 1HH1 ARG 160 2HH1 ARG 160 64.143 19.201 48.829 531 2HH1 ARG 160 1HH1 ARG 160 63.723 20.257 50.138 532 1HH2 ARG 160 2HH2 ARG 160 65.370 18.364 52.573 533 2HH2 ARG 160 1HH2 ARG 160 64.422 19.780 52.266 534 H LEU 161 H LEU 161 61.442 18.201 46.394 535 HA LEU 161 HA LEU 161 61.276 18.288 43.487 536 1HB LEU 161 2HB LEU 161 59.084 17.534 45.057 537 2HB LEU 161 3HB LEU 161 58.786 19.210 44.601 538 HG LEU 161 HG LEU 161 59.437 18.213 42.198 539 1HD1 LEU 161 1HD1 LEU 161 59.237 15.912 43.786 540 2HD1 LEU 161 2HD1 LEU 161 59.345 16.005 42.028 541 3HD1 LEU 161 3HD1 LEU 161 57.767 15.965 42.813 542 1HD2 LEU 161 1HD2 LEU 161 56.887 17.778 41.991 543 2HD2 LEU 161 2HD2 LEU 161 57.462 19.404 42.362 544 3HD2 LEU 161 3HD2 LEU 161 56.828 18.377 43.649 545 H ILE 162 H ILE 162 59.765 20.513 43.137 546 HA ILE 162 HA ILE 162 61.497 22.611 43.587 547 HB ILE 162 HB ILE 162 58.497 22.783 43.275 548 1HG1 ILE 162 2HG1 ILE 162 59.626 21.562 41.449 549 2HG1 ILE 162 3HG1 ILE 162 58.963 23.096 40.898 550 1HG2 ILE 162 1HG2 ILE 162 58.822 24.948 43.724 551 2HG2 ILE 162 2HG2 ILE 162 60.573 24.806 43.578 552 3HG2 ILE 162 3HG2 ILE 162 59.584 25.028 42.136 553 1HD1 ILE 162 1HD1 ILE 162 61.644 22.132 40.761 554 2HD1 ILE 162 2HD1 ILE 162 60.946 23.597 40.069 555 3HD1 ILE 162 3HD1 ILE 162 61.597 23.619 41.708 556 H GLU 163 H GLU 163 62.063 23.739 45.321 557 HA GLU 163 HA GLU 163 61.205 23.235 47.896 558 1HB GLU 163 2HB GLU 163 62.753 25.376 46.578 559 2HB GLU 163 3HB GLU 163 62.043 25.806 48.128 560 1HG GLU 163 2HG GLU 163 63.135 23.380 48.686 561 2HG GLU 163 3HG GLU 163 64.275 24.023 47.506 562 HA PRO 164 HA PRO 164 57.407 25.326 48.558 563 1HB PRO 164 2HB PRO 164 57.726 26.348 51.053 564 2HB PRO 164 3HB PRO 164 57.509 24.622 50.743 565 1HG PRO 164 2HG PRO 164 60.031 26.151 51.256 566 2HG PRO 164 3HG PRO 164 59.528 24.576 51.896 567 1HD PRO 164 2HD PRO 164 61.269 24.823 49.837 568 2HD PRO 164 3HD PRO 164 60.142 23.459 49.975 Start of MODEL 2 1 1H GLN 87 H GLN 87 45.147 67.808 10.747 2 HA GLN 87 HA GLN 87 44.072 69.490 9.271 3 1HB GLN 87 2HB GLN 87 46.636 70.635 9.621 4 2HB GLN 87 3HB GLN 87 46.468 70.282 7.907 5 1HG GLN 87 2HG GLN 87 45.212 72.075 7.640 6 2HG GLN 87 3HG GLN 87 44.047 71.455 8.810 7 1HE2 GLN 87 1HE2 GLN 87 44.859 74.193 8.319 8 2HE2 GLN 87 2HE2 GLN 87 45.489 74.791 9.812 9 H LYS 88 H LYS 88 43.427 68.710 7.338 10 HA LYS 88 HA LYS 88 43.248 67.313 5.552 11 1HB LYS 88 2HB LYS 88 46.270 67.279 5.622 12 2HB LYS 88 3HB LYS 88 45.251 66.849 4.255 13 1HG LYS 88 2HG LYS 88 44.394 69.373 4.794 14 2HG LYS 88 3HG LYS 88 46.104 69.476 5.220 15 1HD LYS 88 2HD LYS 88 46.785 69.242 3.081 16 2HD LYS 88 3HD LYS 88 45.514 68.080 2.696 17 1HE LYS 88 2HE LYS 88 44.047 69.691 2.050 18 2HE LYS 88 3HE LYS 88 44.670 70.873 3.201 19 1HZ LYS 88 1HZ LYS 88 46.589 70.211 1.191 20 2HZ LYS 88 2HZ LYS 88 46.007 71.728 1.665 21 3HZ LYS 88 3HZ LYS 88 45.161 70.819 0.515 22 H ALA 89 H ALA 89 44.500 65.089 4.693 23 HA ALA 89 HA ALA 89 44.607 62.843 5.048 24 1HB ALA 89 1HB ALA 89 46.212 62.157 6.511 25 2HB ALA 89 2HB ALA 89 46.586 63.880 6.466 26 3HB ALA 89 3HB ALA 89 45.647 63.216 7.803 27 H SER 90 H SER 90 42.117 63.926 5.556 28 HA SER 90 HA SER 90 41.195 62.616 8.014 29 1HB SER 90 2HB SER 90 40.579 65.019 7.580 30 2HB SER 90 3HB SER 90 39.626 64.463 6.204 31 HG SER 90 HG SER 90 39.264 63.576 8.876 32 H VAL 91 H VAL 91 39.352 61.235 7.968 33 HA VAL 91 HA VAL 91 39.080 59.799 5.418 34 HB VAL 91 HB VAL 91 38.189 57.928 6.793 35 1HG1 VAL 91 1HG1 VAL 91 40.347 57.269 7.752 36 2HG1 VAL 91 2HG1 VAL 91 40.537 57.980 6.147 37 3HG1 VAL 91 3HG1 VAL 91 40.923 58.927 7.585 38 1HG2 VAL 91 1HG2 VAL 91 39.141 59.486 9.184 39 2HG2 VAL 91 2HG2 VAL 91 37.453 59.450 8.674 40 3HG2 VAL 91 3HG2 VAL 91 38.260 57.959 9.158 41 H SER 92 H SER 92 36.953 58.900 4.899 42 HA SER 92 HA SER 92 34.608 59.940 6.167 43 1HB SER 92 2HB SER 92 35.303 61.949 4.930 44 2HB SER 92 3HB SER 92 35.331 61.021 3.431 45 HG SER 92 HG SER 92 33.357 62.302 3.978 46 H GLY 93 H GLY 93 33.976 57.787 6.216 47 1HA GLY 93 2HA GLY 93 32.313 56.810 4.293 48 2HA GLY 93 3HA GLY 93 33.890 56.197 3.818 49 HA PRO 94 HA PRO 94 32.908 54.252 8.145 50 1HB PRO 94 2HB PRO 94 30.371 54.573 9.057 51 2HB PRO 94 3HB PRO 94 31.678 55.702 9.436 52 1HG PRO 94 2HG PRO 94 29.525 55.923 7.369 53 2HG PRO 94 3HG PRO 94 30.148 57.163 8.473 54 1HD PRO 94 2HD PRO 94 30.900 57.014 5.876 55 2HD PRO 94 3HD PRO 94 31.989 57.591 7.154 56 H ASN 95 H ASN 95 32.700 52.126 7.879 57 HA ASN 95 HA ASN 95 30.908 51.061 5.885 58 1HB ASN 95 2HB ASN 95 32.594 49.437 7.782 59 2HB ASN 95 3HB ASN 95 32.045 49.007 6.165 60 1HD2 ASN 95 1HD2 ASN 95 34.440 50.578 8.038 61 2HD2 ASN 95 2HD2 ASN 95 35.480 51.034 6.736 62 H SER 96 H SER 96 29.447 49.259 6.331 63 HA SER 96 HA SER 96 28.385 49.226 9.068 64 1HB SER 96 2HB SER 96 26.060 49.202 8.039 65 2HB SER 96 3HB SER 96 26.913 50.744 7.969 66 HG SER 96 HG SER 96 26.757 50.647 5.887 67 HA PRO 97 HA PRO 97 28.974 44.963 7.318 68 1HB PRO 97 2HB PRO 97 30.205 43.973 9.526 69 2HB PRO 97 3HB PRO 97 31.077 44.798 8.229 70 1HG PRO 97 2HG PRO 97 30.161 45.865 10.870 71 2HG PRO 97 3HG PRO 97 31.708 46.113 10.040 72 1HD PRO 97 2HD PRO 97 29.727 47.959 10.011 73 2HD PRO 97 3HD PRO 97 30.845 47.738 8.650 74 H SER 98 H SER 98 26.654 44.820 7.487 75 HA SER 98 HA SER 98 25.762 43.628 10.032 76 1HB SER 98 2HB SER 98 24.275 45.443 8.131 77 2HB SER 98 3HB SER 98 23.451 44.463 9.345 78 HG SER 98 HG SER 98 24.702 46.812 9.650 79 H GLU 99 H GLU 99 26.706 41.718 8.762 80 HA GLU 99 HA GLU 99 24.770 40.648 6.835 81 1HB GLU 99 2HB GLU 99 27.572 40.622 6.908 82 2HB GLU 99 3HB GLU 99 27.086 38.973 7.271 83 1HG GLU 99 2HG GLU 99 25.686 38.984 5.231 84 2HG GLU 99 3HG GLU 99 26.316 40.586 4.851 85 H THR 100 H THR 100 23.259 39.334 7.584 86 HA THR 100 HA THR 100 23.662 37.963 10.132 87 HB THR 100 HB THR 100 21.157 37.297 9.580 88 HG1 THR 100 HG1 THR 100 21.110 38.232 7.509 89 1HG2 THR 100 1HG2 THR 100 21.429 40.163 10.290 90 2HG2 THR 100 2HG2 THR 100 22.294 39.001 11.296 91 3HG2 THR 100 3HG2 THR 100 20.545 38.874 11.105 92 H ARG 101 H ARG 101 24.507 35.992 10.074 93 HA ARG 101 HA ARG 101 23.447 34.043 8.181 94 1HB ARG 101 2HB ARG 101 26.054 35.230 7.938 95 2HB ARG 101 3HB ARG 101 26.219 33.516 8.296 96 1HG ARG 101 2HG ARG 101 25.223 32.868 6.332 97 2HG ARG 101 3HG ARG 101 24.323 34.376 6.166 98 1HD ARG 101 2HD ARG 101 26.750 35.392 5.956 99 2HD ARG 101 3HD ARG 101 27.143 33.750 5.449 100 HE ARG 101 HE ARG 101 25.689 35.714 3.958 101 1HH1 ARG 101 2HH1 ARG 101 26.128 32.299 4.469 102 2HH1 ARG 101 1HH1 ARG 101 25.580 31.858 2.886 103 1HH2 ARG 101 2HH2 ARG 101 24.967 35.146 1.869 104 2HH2 ARG 101 1HH2 ARG 101 24.921 33.479 1.407 105 H ARG 102 H ARG 102 24.258 31.802 8.720 106 HA ARG 102 HA ARG 102 23.695 31.201 11.392 107 1HB ARG 102 2HB ARG 102 24.685 29.700 9.038 108 2HB ARG 102 3HB ARG 102 24.999 28.974 10.608 109 1HG ARG 102 2HG ARG 102 22.255 29.910 9.859 110 2HG ARG 102 3HG ARG 102 22.854 28.326 9.365 111 1HD ARG 102 2HD ARG 102 23.031 29.189 12.224 112 2HD ARG 102 3HD ARG 102 21.516 28.559 11.578 113 HE ARG 102 HE ARG 102 23.780 26.877 11.038 114 1HH1 ARG 102 2HH1 ARG 102 21.313 27.690 13.357 115 2HH1 ARG 102 1HH1 ARG 102 21.353 26.143 14.136 116 1HH2 ARG 102 2HH2 ARG 102 23.842 24.837 12.056 117 2HH2 ARG 102 1HH2 ARG 102 22.794 24.521 13.397 118 H GLU 103 H GLU 103 26.731 31.793 9.748 119 HA GLU 103 HA GLU 103 28.861 32.061 10.498 120 1HB GLU 103 2HB GLU 103 27.184 33.229 12.429 121 2HB GLU 103 3HB GLU 103 28.375 32.303 13.332 122 1HG GLU 103 2HG GLU 103 29.140 34.564 13.042 123 2HG GLU 103 3HG GLU 103 30.170 33.463 12.129 124 H ARG 104 H ARG 104 29.735 30.067 10.160 125 HA ARG 104 HA ARG 104 29.340 27.950 12.112 126 1HB ARG 104 2HB ARG 104 29.354 27.471 9.670 127 2HB ARG 104 3HB ARG 104 31.041 27.961 9.615 128 1HG ARG 104 2HG ARG 104 31.243 25.686 9.760 129 2HG ARG 104 3HG ARG 104 31.329 26.139 11.463 130 1HD ARG 104 2HD ARG 104 28.626 25.854 11.025 131 2HD ARG 104 3HD ARG 104 29.327 24.573 10.036 132 HE ARG 104 HE ARG 104 30.538 24.505 12.556 133 1HH1 ARG 104 2HH1 ARG 104 27.432 23.938 11.090 134 2HH1 ARG 104 1HH1 ARG 104 26.944 22.764 12.268 135 1HH2 ARG 104 2HH2 ARG 104 29.907 22.961 14.113 136 2HH2 ARG 104 1HH2 ARG 104 28.352 22.210 13.987 137 H ALA 105 H ALA 105 30.793 27.294 13.598 138 HA ALA 105 HA ALA 105 32.828 28.999 14.465 139 1HB ALA 105 1HB ALA 105 32.099 27.618 16.138 140 2HB ALA 105 2HB ALA 105 32.041 26.198 15.093 141 3HB ALA 105 3HB ALA 105 33.592 26.796 15.682 142 H PHE 106 H PHE 106 35.133 28.635 14.554 143 HA PHE 106 HA PHE 106 36.279 26.826 12.589 144 1HB PHE 106 2HB PHE 106 36.428 29.825 12.381 145 2HB PHE 106 3HB PHE 106 37.669 28.793 11.678 146 HD1 PHE 106 HD1 PHE 106 36.547 26.723 10.304 147 HD2 PHE 106 HD2 PHE 106 34.839 30.572 10.922 148 HE1 PHE 106 HE1 PHE 106 35.163 26.428 8.292 149 HE2 PHE 106 HE2 PHE 106 33.451 30.283 8.912 150 HZ PHE 106 HZ PHE 106 33.611 28.209 7.594 151 H ASP 107 H ASP 107 37.282 25.793 14.311 152 HA ASP 107 HA ASP 107 38.723 27.049 16.362 153 1HB ASP 107 2HB ASP 107 38.197 24.380 15.511 154 2HB ASP 107 3HB ASP 107 39.931 24.533 15.779 155 H ALA 108 H ALA 108 41.227 26.155 16.517 156 HA ALA 108 HA ALA 108 42.645 26.844 14.062 157 1HB ALA 108 1HB ALA 108 43.362 28.848 14.700 158 2HB ALA 108 2HB ALA 108 42.212 28.764 16.035 159 3HB ALA 108 3HB ALA 108 43.876 28.230 16.269 160 H ASN 109 H ASN 109 45.138 26.765 14.601 161 HA ASN 109 HA ASN 109 45.572 24.329 16.202 162 1HB ASN 109 2HB ASN 109 45.985 24.513 13.560 163 2HB ASN 109 3HB ASN 109 47.544 25.114 14.119 164 1HD2 ASN 109 1HD2 ASN 109 45.275 22.434 14.478 165 2HD2 ASN 109 2HD2 ASN 109 46.473 21.227 14.779 166 H THR 110 H THR 110 47.565 24.144 17.355 167 HA THR 110 HA THR 110 48.873 26.724 17.917 168 HB THR 110 HB THR 110 49.150 25.183 20.233 169 HG1 THR 110 HG1 THR 110 47.443 23.852 19.749 170 1HG2 THR 110 1HG2 THR 110 47.469 27.557 19.483 171 2HG2 THR 110 2HG2 THR 110 48.962 27.510 20.420 172 3HG2 THR 110 3HG2 THR 110 47.461 26.907 21.121 173 H MET 111 H MET 111 50.896 26.618 17.200 174 HA MET 111 HA MET 111 52.281 24.084 17.000 175 1HB MET 111 2HB MET 111 52.676 26.831 15.981 176 2HB MET 111 3HB MET 111 54.146 25.919 16.296 177 1HG MET 111 2HG MET 111 53.907 24.817 14.400 178 2HG MET 111 3HG MET 111 52.318 24.244 14.901 179 1HE MET 111 1HE MET 111 54.291 26.377 12.450 180 2HE MET 111 2HE MET 111 53.441 24.936 11.896 181 3HE MET 111 3HE MET 111 52.976 26.524 11.284 182 H THR 112 H THR 112 54.223 23.562 18.040 183 HA THR 112 HA THR 112 54.503 24.762 20.675 184 HB THR 112 HB THR 112 55.977 22.888 21.192 185 HG1 THR 112 HG1 THR 112 56.371 21.307 19.567 186 1HG2 THR 112 1HG2 THR 112 53.408 22.157 19.793 187 2HG2 THR 112 2HG2 THR 112 53.662 22.428 21.517 188 3HG2 THR 112 3HG2 THR 112 54.358 21.009 20.734 189 H SER 113 H SER 113 56.127 26.052 21.296 190 HA SER 113 HA SER 113 58.509 26.253 19.590 191 1HB SER 113 2HB SER 113 57.755 28.826 20.719 192 2HB SER 113 3HB SER 113 58.160 28.408 19.054 193 HG SER 113 HG SER 113 56.096 28.840 18.802 194 H ALA 114 H ALA 114 58.009 24.944 22.153 195 HA ALA 114 HA ALA 114 59.075 24.628 24.140 196 1HB ALA 114 1HB ALA 114 61.056 26.758 23.433 197 2HB ALA 114 2HB ALA 114 61.301 25.255 24.326 198 3HB ALA 114 3HB ALA 114 61.052 25.214 22.579 199 H GLU 115 H GLU 115 57.344 25.473 25.343 200 HA GLU 115 HA GLU 115 57.888 28.121 26.504 201 1HB GLU 115 2HB GLU 115 55.062 27.416 26.509 202 2HB GLU 115 3HB GLU 115 55.845 28.913 26.024 203 1HG GLU 115 2HG GLU 115 54.806 28.189 24.086 204 2HG GLU 115 3HG GLU 115 56.474 27.660 23.878 205 H LYS 116 H LYS 116 55.579 25.456 27.037 206 HA LYS 116 HA LYS 116 55.709 25.709 29.867 207 1HB LYS 116 2HB LYS 116 54.146 24.271 27.958 208 2HB LYS 116 3HB LYS 116 54.746 23.128 29.152 209 1HG LYS 116 2HG LYS 116 53.798 24.472 30.943 210 2HG LYS 116 3HG LYS 116 53.229 25.657 29.764 211 1HD LYS 116 2HD LYS 116 51.777 23.996 28.753 212 2HD LYS 116 3HD LYS 116 52.392 22.759 29.851 213 1HE LYS 116 2HE LYS 116 50.466 23.347 30.939 214 2HE LYS 116 3HE LYS 116 51.603 24.467 31.690 215 1HZ LYS 116 1HZ LYS 116 50.700 26.240 30.632 216 2HZ LYS 116 2HZ LYS 116 49.318 25.267 30.683 217 3HZ LYS 116 3HZ LYS 116 50.237 25.357 29.266 218 H VAL 117 H VAL 117 55.949 23.309 30.989 219 HA VAL 117 HA VAL 117 58.744 22.576 30.435 220 HB VAL 117 HB VAL 117 57.189 22.062 32.971 221 1HG1 VAL 117 1HG1 VAL 117 59.071 20.558 32.622 222 2HG1 VAL 117 2HG1 VAL 117 60.140 21.937 32.359 223 3HG1 VAL 117 3HG1 VAL 117 59.407 21.679 33.942 224 1HG2 VAL 117 1HG2 VAL 117 59.115 23.967 33.520 225 2HG2 VAL 117 2HG2 VAL 117 58.433 24.489 31.980 226 3HG2 VAL 117 3HG2 VAL 117 57.381 24.248 33.374 227 H LEU 118 H LEU 118 58.390 21.024 28.847 228 HA LEU 118 HA LEU 118 56.544 18.863 29.231 229 1HB LEU 118 2HB LEU 118 58.624 19.544 27.198 230 2HB LEU 118 3HB LEU 118 57.933 17.924 27.234 231 HG LEU 118 HG LEU 118 56.297 20.438 26.934 232 1HD1 LEU 118 1HD1 LEU 118 57.230 20.545 24.897 233 2HD1 LEU 118 2HD1 LEU 118 56.169 19.185 24.532 234 3HD1 LEU 118 3HD1 LEU 118 57.850 18.896 24.980 235 1HD2 LEU 118 1HD2 LEU 118 54.931 18.709 27.754 236 2HD2 LEU 118 2HD2 LEU 118 55.704 17.499 26.730 237 3HD2 LEU 118 3HD2 LEU 118 54.661 18.726 26.012 238 H CYS 119 H CYS 119 57.222 16.498 29.219 239 HA CYS 119 HA CYS 119 59.240 16.179 31.224 240 1HB CYS 119 2HB CYS 119 57.118 14.906 31.301 241 2HB CYS 119 3HB CYS 119 57.543 14.098 29.806 242 H GLN 120 H GLN 120 61.307 15.952 30.706 243 HA GLN 120 HA GLN 120 62.226 15.600 28.032 244 1HB GLN 120 2HB GLN 120 63.355 16.854 29.996 245 2HB GLN 120 3HB GLN 120 63.958 15.270 30.463 246 1HG GLN 120 2HG GLN 120 65.074 15.034 28.325 247 2HG GLN 120 3HG GLN 120 64.421 16.584 27.795 248 1HE2 GLN 120 1HE2 GLN 120 65.933 15.503 30.816 249 2HE2 GLN 120 2HE2 GLN 120 67.174 16.704 30.825 250 H PHE 121 H PHE 121 61.694 13.480 30.742 251 HA PHE 121 HA PHE 121 63.219 11.293 29.687 252 1HB PHE 121 2HB PHE 121 62.313 11.870 32.162 253 2HB PHE 121 3HB PHE 121 61.063 10.745 31.643 254 HD1 PHE 121 HD1 PHE 121 64.745 11.109 31.955 255 HD2 PHE 121 HD2 PHE 121 61.423 8.455 31.764 256 HE1 PHE 121 HE1 PHE 121 66.225 9.221 32.506 257 HE2 PHE 121 HE2 PHE 121 62.897 6.563 32.317 258 HZ PHE 121 HZ PHE 121 65.301 6.946 32.689 259 H CYS 122 H CYS 122 59.973 12.548 29.197 260 HA CYS 122 HA CYS 122 58.741 10.148 28.480 261 1HB CYS 122 2HB CYS 122 58.154 13.037 28.208 262 2HB CYS 122 3HB CYS 122 57.405 12.016 26.997 263 H ASP 123 H ASP 123 58.181 9.515 26.277 264 HA ASP 123 HA ASP 123 59.870 10.482 24.116 265 1HB ASP 123 2HB ASP 123 60.564 8.165 25.593 266 2HB ASP 123 3HB ASP 123 59.967 7.617 24.028 267 H GLN 124 H GLN 124 56.992 10.396 24.798 268 HA GLN 124 HA GLN 124 55.716 8.456 23.161 269 1HB GLN 124 2HB GLN 124 54.888 10.874 24.666 270 2HB GLN 124 3HB GLN 124 53.837 10.366 23.351 271 1HG GLN 124 2HG GLN 124 53.717 8.117 24.370 272 2HG GLN 124 3HG GLN 124 54.670 8.718 25.726 273 1HE2 GLN 124 1HE2 GLN 124 52.005 7.619 25.761 274 2HE2 GLN 124 2HE2 GLN 124 50.970 8.847 26.400 275 H ASP 125 H ASP 125 56.506 11.885 22.693 276 HA ASP 125 HA ASP 125 56.711 13.161 20.821 277 1HB ASP 125 2HB ASP 125 58.241 11.260 20.187 278 2HB ASP 125 3HB ASP 125 56.890 10.555 19.303 279 HA PRO 126 HA PRO 126 55.605 14.713 21.095 280 1HB PRO 126 2HB PRO 126 53.403 15.757 22.288 281 2HB PRO 126 3HB PRO 126 53.877 16.153 20.632 282 1HG PRO 126 2HG PRO 126 51.821 14.204 21.598 283 2HG PRO 126 3HG PRO 126 51.723 15.362 20.257 284 1HD PRO 126 2HD PRO 126 52.232 12.730 19.875 285 2HD PRO 126 3HD PRO 126 52.903 13.994 18.825 286 H ALA 127 H ALA 127 56.091 15.018 23.295 287 HA ALA 127 HA ALA 127 55.708 12.677 24.930 288 1HB ALA 127 1HB ALA 127 57.812 13.420 25.313 289 2HB ALA 127 2HB ALA 127 57.385 15.110 25.042 290 3HB ALA 127 3HB ALA 127 56.997 14.339 26.579 291 H GLN 128 H GLN 128 55.320 13.197 27.393 292 HA GLN 128 HA GLN 128 52.670 14.376 27.520 293 1HB GLN 128 2HB GLN 128 53.813 12.185 28.726 294 2HB GLN 128 3HB GLN 128 53.825 13.375 30.021 295 1HG GLN 128 2HG GLN 128 51.336 13.738 29.285 296 2HG GLN 128 3HG GLN 128 51.524 12.116 28.623 297 1HE2 GLN 128 1HE2 GLN 128 50.049 11.252 30.079 298 2HE2 GLN 128 2HE2 GLN 128 50.428 11.025 31.748 299 H ASP 129 H ASP 129 52.142 15.667 29.546 300 HA ASP 129 HA ASP 129 54.017 17.881 29.687 301 1HB ASP 129 2HB ASP 129 51.256 17.587 30.890 302 2HB ASP 129 3HB ASP 129 52.206 19.070 30.841 303 H ALA 130 H ALA 130 55.367 18.244 31.322 304 HA ALA 130 HA ALA 130 55.290 16.463 33.626 305 1HB ALA 130 1HB ALA 130 57.468 16.518 33.039 306 2HB ALA 130 2HB ALA 130 57.342 18.115 32.301 307 3HB ALA 130 3HB ALA 130 57.482 17.962 34.052 308 H VAL 131 H VAL 131 54.931 17.088 35.702 309 HA VAL 131 HA VAL 131 54.482 19.943 36.234 310 HB VAL 131 HB VAL 131 52.498 19.391 37.595 311 1HG1 VAL 131 1HG1 VAL 131 50.963 19.215 35.791 312 2HG1 VAL 131 2HG1 VAL 131 52.369 20.091 35.182 313 3HG1 VAL 131 3HG1 VAL 131 52.147 18.389 34.778 314 1HG2 VAL 131 1HG2 VAL 131 52.653 17.186 38.245 315 2HG2 VAL 131 2HG2 VAL 131 51.458 17.081 36.952 316 3HG2 VAL 131 3HG2 VAL 131 53.136 16.635 36.640 317 H LYS 132 H LYS 132 56.412 17.565 36.917 318 HA LYS 132 HA LYS 132 56.798 18.414 39.680 319 1HB LYS 132 2HB LYS 132 57.237 15.948 40.271 320 2HB LYS 132 3HB LYS 132 55.565 16.483 40.153 321 1HG LYS 132 2HG LYS 132 56.564 15.522 37.613 322 2HG LYS 132 3HG LYS 132 56.702 14.305 38.884 323 1HD LYS 132 2HD LYS 132 54.160 15.848 38.540 324 2HD LYS 132 3HD LYS 132 54.509 14.464 37.501 325 1HE LYS 132 2HE LYS 132 54.557 12.978 39.324 326 2HE LYS 132 3HE LYS 132 54.676 14.288 40.495 327 1HZ LYS 132 1HZ LYS 132 52.455 14.773 40.316 328 2HZ LYS 132 2HZ LYS 132 52.424 13.094 40.115 329 3HZ LYS 132 3HZ LYS 132 52.305 14.108 38.767 330 H THR 133 H THR 133 58.777 19.261 39.540 331 HA THR 133 HA THR 133 60.830 17.820 38.005 332 HB THR 133 HB THR 133 60.907 20.674 39.002 333 HG1 THR 133 HG1 THR 133 59.702 21.045 37.309 334 1HG2 THR 133 1HG2 THR 133 62.997 19.044 38.245 335 2HG2 THR 133 2HG2 THR 133 63.007 20.808 38.232 336 3HG2 THR 133 3HG2 THR 133 62.613 19.917 36.762 337 H CYS 134 H CYS 134 62.263 16.570 39.149 338 HA CYS 134 HA CYS 134 62.408 16.940 41.981 339 1HB CYS 134 2HB CYS 134 62.399 14.683 41.062 340 2HB CYS 134 3HB CYS 134 63.841 15.013 40.123 341 H VAL 135 H VAL 135 63.573 18.614 42.676 342 HA VAL 135 HA VAL 135 65.523 20.043 41.309 343 HB VAL 135 HB VAL 135 66.239 20.884 43.560 344 1HG1 VAL 135 1HG1 VAL 135 64.415 21.922 42.282 345 2HG1 VAL 135 2HG1 VAL 135 63.261 20.850 43.078 346 3HG1 VAL 135 3HG1 VAL 135 64.155 22.041 44.023 347 1HG2 VAL 135 1HG2 VAL 135 64.749 20.188 45.474 348 2HG2 VAL 135 2HG2 VAL 135 64.239 18.827 44.475 349 3HG2 VAL 135 3HG2 VAL 135 65.931 18.988 44.950 350 H THR 136 H THR 136 65.888 17.348 43.579 351 HA THR 136 HA THR 136 68.686 17.358 43.743 352 HB THR 136 HB THR 136 66.725 15.076 44.025 353 HG1 THR 136 HG1 THR 136 67.284 15.452 46.288 354 1HG2 THR 136 1HG2 THR 136 68.648 13.873 43.652 355 2HG2 THR 136 2HG2 THR 136 68.788 14.157 45.386 356 3HG2 THR 136 3HG2 THR 136 69.697 15.156 44.253 357 H CYS 137 H CYS 137 66.468 15.989 41.284 358 HA CYS 137 HA CYS 137 68.656 14.602 40.028 359 1HB CYS 137 2HB CYS 137 65.703 14.839 39.453 360 2HB CYS 137 3HB CYS 137 66.799 14.169 38.261 361 H GLU 138 H GLU 138 67.139 17.655 40.055 362 HA GLU 138 HA GLU 138 67.441 19.588 38.894 363 1HB GLU 138 2HB GLU 138 69.825 18.191 37.670 364 2HB GLU 138 3HB GLU 138 69.538 19.925 37.723 365 1HG GLU 138 2HG GLU 138 69.753 18.309 40.234 366 2HG GLU 138 3HG GLU 138 71.184 18.909 39.397 367 H VAL 139 H VAL 139 65.700 17.607 37.830 368 HA VAL 139 HA VAL 139 65.590 18.541 35.080 369 HB VAL 139 HB VAL 139 65.642 15.590 35.729 370 1HG1 VAL 139 1HG1 VAL 139 65.430 15.305 33.272 371 2HG1 VAL 139 2HG1 VAL 139 64.000 16.013 34.024 372 3HG1 VAL 139 3HG1 VAL 139 65.128 17.037 33.134 373 1HG2 VAL 139 1HG2 VAL 139 67.871 16.396 35.695 374 2HG2 VAL 139 2HG2 VAL 139 67.594 15.634 34.129 375 3HG2 VAL 139 3HG2 VAL 139 67.565 17.391 34.272 376 H SER 140 H SER 140 63.528 18.538 34.214 377 HA SER 140 HA SER 140 61.388 18.207 36.157 378 1HB SER 140 2HB SER 140 59.992 19.317 34.393 379 2HB SER 140 3HB SER 140 61.374 20.278 34.917 380 HG SER 140 HG SER 140 61.507 18.577 32.665 381 H TYR 141 H TYR 141 59.973 16.582 36.167 382 HA TYR 141 HA TYR 141 59.773 14.874 33.780 383 1HB TYR 141 2HB TYR 141 59.911 13.905 36.642 384 2HB TYR 141 3HB TYR 141 59.674 12.891 35.223 385 HD1 TYR 141 HD1 TYR 141 62.025 13.817 37.539 386 HD2 TYR 141 HD2 TYR 141 61.583 13.450 33.323 387 HE1 TYR 141 HE1 TYR 141 64.461 13.579 37.311 388 HE2 TYR 141 HE2 TYR 141 64.019 13.210 33.083 389 HH TYR 141 HH TYR 141 66.160 13.275 35.920 390 H CYS 142 H CYS 142 57.767 13.245 34.085 391 HA CYS 142 HA CYS 142 55.583 14.984 34.937 392 1HB CYS 142 2HB CYS 142 54.160 13.752 33.428 393 2HB CYS 142 3HB CYS 142 55.591 14.272 32.559 394 H ASP 143 H ASP 143 53.708 12.833 35.051 395 HA ASP 143 HA ASP 143 54.243 11.848 37.705 396 1HB ASP 143 2HB ASP 143 51.979 12.656 36.730 397 2HB ASP 143 3HB ASP 143 51.879 11.042 36.033 398 H GLU 144 H GLU 144 53.174 10.176 34.737 399 HA GLU 144 HA GLU 144 53.574 7.594 35.445 400 1HB GLU 144 2HB GLU 144 53.725 9.065 32.893 401 2HB GLU 144 3HB GLU 144 54.526 7.500 32.898 402 1HG GLU 144 2HG GLU 144 51.724 7.793 33.902 403 2HG GLU 144 3HG GLU 144 52.063 7.639 32.179 404 H CYS 145 H CYS 145 56.157 9.578 33.798 405 HA CYS 145 HA CYS 145 58.145 7.732 34.012 406 1HB CYS 145 2HB CYS 145 58.234 10.755 34.050 407 2HB CYS 145 3HB CYS 145 59.693 9.786 34.072 408 H LEU 146 H LEU 146 57.355 10.382 36.262 409 HA LEU 146 HA LEU 146 59.178 9.907 38.264 410 1HB LEU 146 2HB LEU 146 57.728 11.846 38.240 411 2HB LEU 146 3HB LEU 146 56.319 10.826 38.522 412 HG LEU 146 HG LEU 146 57.737 10.205 40.706 413 1HD1 LEU 146 1HD1 LEU 146 59.425 12.012 39.747 414 2HD1 LEU 146 2HD1 LEU 146 59.144 11.813 41.476 415 3HD1 LEU 146 3HD1 LEU 146 58.334 13.107 40.594 416 1HD2 LEU 146 1HD2 LEU 146 55.395 11.320 40.289 417 2HD2 LEU 146 2HD2 LEU 146 56.245 12.784 40.784 418 3HD2 LEU 146 3HD2 LEU 146 56.166 11.398 41.874 419 H LYS 147 H LYS 147 56.312 8.112 37.472 420 HA LYS 147 HA LYS 147 56.072 6.709 39.937 421 1HB LYS 147 2HB LYS 147 54.350 7.011 38.001 422 2HB LYS 147 3HB LYS 147 55.133 5.594 37.316 423 1HG LYS 147 2HG LYS 147 54.682 4.446 39.526 424 2HG LYS 147 3HG LYS 147 53.639 5.817 39.910 425 1HD LYS 147 2HD LYS 147 52.103 4.393 38.985 426 2HD LYS 147 3HD LYS 147 52.620 5.266 37.540 427 1HE LYS 147 2HE LYS 147 54.143 3.478 36.963 428 2HE LYS 147 3HE LYS 147 53.760 2.628 38.460 429 1HZ LYS 147 1HZ LYS 147 51.710 3.260 36.418 430 2HZ LYS 147 2HZ LYS 147 51.594 2.174 37.709 431 3HZ LYS 147 3HZ LYS 147 52.600 1.822 36.397 432 H ALA 148 H ALA 148 57.679 6.029 36.864 433 HA ALA 148 HA ALA 148 58.576 3.426 37.717 434 1HB ALA 148 1HB ALA 148 58.170 3.629 35.405 435 2HB ALA 148 2HB ALA 148 59.132 5.103 35.286 436 3HB ALA 148 3HB ALA 148 59.924 3.553 35.575 437 H THR 149 H THR 149 60.163 6.540 37.021 438 HA THR 149 HA THR 149 62.729 5.702 37.892 439 HB THR 149 HB THR 149 61.672 8.530 37.712 440 HG1 THR 149 HG1 THR 149 61.541 7.926 35.661 441 1HG2 THR 149 1HG2 THR 149 63.720 9.217 38.268 442 2HG2 THR 149 2HG2 THR 149 64.456 8.153 37.069 443 3HG2 THR 149 3HG2 THR 149 64.106 7.548 38.688 444 H HIS 150 H HIS 150 60.158 7.597 39.447 445 HA HIS 150 HA HIS 150 61.555 7.235 42.016 446 1HB HIS 150 2HB HIS 150 59.643 9.405 41.137 447 2HB HIS 150 3HB HIS 150 60.227 9.216 42.787 448 HD2 HIS 150 HD2 HIS 150 61.251 11.920 42.046 449 HE1 HIS 150 HE1 HIS 150 64.663 10.205 40.199 450 HA PRO 151 HA PRO 151 57.667 4.691 42.154 451 1HB PRO 151 2HB PRO 151 58.849 2.514 43.265 452 2HB PRO 151 3HB PRO 151 58.792 2.790 41.520 453 1HG PRO 151 2HG PRO 151 61.022 3.310 43.447 454 2HG PRO 151 3HG PRO 151 61.089 2.598 41.824 455 1HD PRO 151 2HD PRO 151 61.733 5.183 42.310 456 2HD PRO 151 3HD PRO 151 60.998 4.652 40.783 457 H ASN 152 H ASN 152 56.523 5.562 43.787 458 HA ASN 152 HA ASN 152 57.312 4.896 46.514 459 1HB ASN 152 2HB ASN 152 57.540 7.537 45.415 460 2HB ASN 152 3HB ASN 152 56.290 7.534 46.655 461 1HD2 ASN 152 1HD2 ASN 152 57.229 5.706 48.429 462 2HD2 ASN 152 2HD2 ASN 152 58.714 6.258 49.118 463 H LYS 153 H LYS 153 55.416 6.044 47.977 464 HA LYS 153 HA LYS 153 52.927 4.964 46.840 465 1HB LYS 153 2HB LYS 153 54.056 5.082 49.596 466 2HB LYS 153 3HB LYS 153 52.307 5.149 49.421 467 1HG LYS 153 2HG LYS 153 52.800 3.056 47.843 468 2HG LYS 153 3HG LYS 153 54.182 2.919 48.932 469 1HD LYS 153 2HD LYS 153 52.369 3.251 50.790 470 2HD LYS 153 3HD LYS 153 51.263 2.706 49.528 471 1HE LYS 153 2HE LYS 153 53.744 1.136 50.003 472 2HE LYS 153 3HE LYS 153 52.441 1.009 51.183 473 1HZ LYS 153 1HZ LYS 153 51.735 0.749 48.361 474 2HZ LYS 153 2HZ LYS 153 51.085 -0.032 49.713 475 3HZ LYS 153 3HZ LYS 153 52.566 -0.541 49.073 476 H LYS 154 H LYS 154 54.303 7.797 46.885 477 HA LYS 154 HA LYS 154 53.588 9.954 46.792 478 1HB LYS 154 2HB LYS 154 51.663 10.149 45.672 479 2HB LYS 154 3HB LYS 154 51.451 8.416 45.881 480 1HG LYS 154 2HG LYS 154 50.302 8.918 48.055 481 2HG LYS 154 3HG LYS 154 50.343 10.622 47.595 482 1HD LYS 154 2HD LYS 154 48.251 9.963 46.856 483 2HD LYS 154 3HD LYS 154 49.232 9.790 45.400 484 1HE LYS 154 2HE LYS 154 47.901 7.834 45.562 485 2HE LYS 154 3HE LYS 154 49.538 7.372 46.027 486 1HZ LYS 154 1HZ LYS 154 48.213 8.176 48.338 487 2HZ LYS 154 2HZ LYS 154 48.720 6.616 47.923 488 3HZ LYS 154 3HZ LYS 154 47.162 7.136 47.512 489 HA PRO 155 HA PRO 155 51.903 11.799 46.909 490 1HB PRO 155 2HB PRO 155 52.692 14.185 47.937 491 2HB PRO 155 3HB PRO 155 51.066 13.531 48.166 492 1HG PRO 155 2HG PRO 155 53.408 13.482 50.030 493 2HG PRO 155 3HG PRO 155 51.703 13.821 50.384 494 1HD PRO 155 2HD PRO 155 52.845 11.416 50.880 495 2HD PRO 155 3HD PRO 155 51.138 11.587 50.422 496 H PHE 156 H PHE 156 54.689 12.277 49.083 497 HA PHE 156 HA PHE 156 56.545 11.676 46.982 498 1HB PHE 156 2HB PHE 156 56.000 14.495 47.763 499 2HB PHE 156 3HB PHE 156 57.683 14.038 47.511 500 HD1 PHE 156 HD1 PHE 156 54.864 15.340 45.968 501 HD2 PHE 156 HD2 PHE 156 58.051 12.605 45.283 502 HE1 PHE 156 HE1 PHE 156 54.565 15.606 43.540 503 HE2 PHE 156 HE2 PHE 156 57.758 12.867 42.854 504 HZ PHE 156 HZ PHE 156 56.014 14.369 41.980 505 H THR 157 H THR 157 56.633 10.144 48.924 506 HA THR 157 HA THR 157 58.248 11.196 51.122 507 HB THR 157 HB THR 157 56.341 9.777 51.725 508 HG1 THR 157 HG1 THR 157 57.546 8.345 53.068 509 1HG2 THR 157 1HG2 THR 157 55.875 7.799 50.770 510 2HG2 THR 157 2HG2 THR 157 57.556 7.267 50.843 511 3HG2 THR 157 3HG2 THR 157 57.011 8.292 49.516 512 H GLY 158 H GLY 158 59.536 11.116 48.634 513 1HA GLY 158 2HA GLY 158 61.636 9.151 49.235 514 2HA GLY 158 3HA GLY 158 60.974 9.216 47.608 515 H HIS 159 H HIS 159 61.729 10.707 46.199 516 HA HIS 159 HA HIS 159 64.141 12.073 46.847 517 1HB HIS 159 2HB HIS 159 62.712 11.365 44.483 518 2HB HIS 159 3HB HIS 159 63.038 13.095 44.424 519 HD2 HIS 159 HD2 HIS 159 66.076 12.813 45.870 520 HE1 HIS 159 HE1 HIS 159 66.889 10.553 42.373 521 H ARG 160 H ARG 160 64.146 14.491 45.742 522 HA ARG 160 HA ARG 160 62.287 16.004 47.440 523 1HB ARG 160 2HB ARG 160 65.046 16.166 47.162 524 2HB ARG 160 3HB ARG 160 64.449 17.537 46.235 525 1HG ARG 160 2HG ARG 160 63.029 18.051 48.319 526 2HG ARG 160 3HG ARG 160 64.136 16.957 49.151 527 1HD ARG 160 2HD ARG 160 65.225 19.157 47.450 528 2HD ARG 160 3HD ARG 160 64.627 19.523 49.067 529 HE ARG 160 HE ARG 160 67.038 18.107 48.386 530 1HH1 ARG 160 2HH1 ARG 160 64.627 18.663 50.834 531 2HH1 ARG 160 1HH1 ARG 160 65.664 18.206 52.144 532 1HH2 ARG 160 2HH2 ARG 160 68.414 17.503 50.101 533 2HH2 ARG 160 1HH2 ARG 160 67.819 17.547 51.726 534 H LEU 161 H LEU 161 61.881 18.307 46.507 535 HA LEU 161 HA LEU 161 61.506 18.279 43.613 536 1HB LEU 161 2HB LEU 161 59.438 17.594 45.334 537 2HB LEU 161 3HB LEU 161 59.136 19.285 44.942 538 HG LEU 161 HG LEU 161 59.713 17.919 42.520 539 1HD1 LEU 161 1HD1 LEU 161 59.079 15.825 43.100 540 2HD1 LEU 161 2HD1 LEU 161 57.474 16.492 42.806 541 3HD1 LEU 161 3HD1 LEU 161 58.093 16.375 44.454 542 1HD2 LEU 161 1HD2 LEU 161 57.178 18.475 42.235 543 2HD2 LEU 161 2HD2 LEU 161 58.363 19.776 42.351 544 3HD2 LEU 161 3HD2 LEU 161 57.396 19.336 43.759 545 H ILE 162 H ILE 162 60.013 20.519 43.284 546 HA ILE 162 HA ILE 162 61.876 22.587 43.695 547 HB ILE 162 HB ILE 162 58.938 22.915 43.086 548 1HG1 ILE 162 2HG1 ILE 162 59.969 21.348 41.511 549 2HG1 ILE 162 3HG1 ILE 162 59.605 22.875 40.717 550 1HG2 ILE 162 1HG2 ILE 162 59.737 25.038 43.557 551 2HG2 ILE 162 2HG2 ILE 162 61.331 24.697 42.884 552 3HG2 ILE 162 3HG2 ILE 162 59.952 24.929 41.810 553 1HD1 ILE 162 1HD1 ILE 162 62.112 21.512 40.996 554 2HD1 ILE 162 2HD1 ILE 162 61.693 22.904 39.997 555 3HD1 ILE 162 3HD1 ILE 162 62.212 23.141 41.665 556 H GLU 163 H GLU 163 61.885 24.352 45.078 557 HA GLU 163 HA GLU 163 60.957 23.893 47.709 558 1HB GLU 163 2HB GLU 163 62.325 26.137 46.297 559 2HB GLU 163 3HB GLU 163 61.586 26.467 47.857 560 1HG GLU 163 2HG GLU 163 63.297 24.072 47.710 561 2HG GLU 163 3HG GLU 163 64.110 25.628 47.555 562 HA PRO 164 HA PRO 164 56.951 25.674 47.815 563 1HB PRO 164 2HB PRO 164 56.947 26.968 50.201 564 2HB PRO 164 3HB PRO 164 56.906 25.207 50.063 565 1HG PRO 164 2HG PRO 164 59.231 27.008 50.618 566 2HG PRO 164 3HG PRO 164 58.804 25.466 51.381 567 1HD PRO 164 2HD PRO 164 60.704 25.666 49.462 568 2HD PRO 164 3HD PRO 164 59.687 24.224 49.652 Start of MODEL 3 1 1H GLN 87 H GLN 87 -1.637 57.927 62.433 2 HA GLN 87 HA GLN 87 0.257 59.472 62.507 3 1HB GLN 87 2HB GLN 87 0.445 58.181 65.135 4 2HB GLN 87 3HB GLN 87 1.995 58.382 64.328 5 1HG GLN 87 2HG GLN 87 1.731 60.729 64.207 6 2HG GLN 87 3HG GLN 87 0.035 60.630 64.681 7 1HE2 GLN 87 1HE2 GLN 87 -0.210 59.381 66.858 8 2HE2 GLN 87 2HE2 GLN 87 0.829 59.930 68.123 9 H LYS 88 H LYS 88 0.904 58.694 60.576 10 HA LYS 88 HA LYS 88 2.669 56.356 60.612 11 1HB LYS 88 2HB LYS 88 0.176 56.691 59.023 12 2HB LYS 88 3HB LYS 88 1.552 55.944 58.221 13 1HG LYS 88 2HG LYS 88 0.656 54.954 60.894 14 2HG LYS 88 3HG LYS 88 -0.189 54.458 59.425 15 1HD LYS 88 2HD LYS 88 1.772 53.467 58.528 16 2HD LYS 88 3HD LYS 88 2.792 54.203 59.767 17 1HE LYS 88 2HE LYS 88 2.303 52.617 61.287 18 2HE LYS 88 3HE LYS 88 0.615 52.518 60.792 19 1HZ LYS 88 1HZ LYS 88 2.922 51.009 59.842 20 2HZ LYS 88 2HZ LYS 88 1.754 51.415 58.688 21 3HZ LYS 88 3HZ LYS 88 1.318 50.515 60.053 22 H ALA 89 H ALA 89 4.173 56.282 58.843 23 HA ALA 89 HA ALA 89 4.357 58.523 57.040 24 1HB ALA 89 1HB ALA 89 5.682 59.826 58.249 25 2HB ALA 89 2HB ALA 89 5.701 58.644 59.559 26 3HB ALA 89 3HB ALA 89 6.894 58.545 58.264 27 H SER 90 H SER 90 6.619 58.385 55.880 28 HA SER 90 HA SER 90 6.898 55.594 55.055 29 1HB SER 90 2HB SER 90 7.684 58.212 53.779 30 2HB SER 90 3HB SER 90 8.249 56.663 53.158 31 HG SER 90 HG SER 90 6.393 56.460 52.223 32 H VAL 91 H VAL 91 9.091 54.796 54.525 33 HA VAL 91 HA VAL 91 11.086 55.827 56.437 34 HB VAL 91 HB VAL 91 11.979 53.490 56.519 35 1HG1 VAL 91 1HG1 VAL 91 9.157 53.976 57.459 36 2HG1 VAL 91 2HG1 VAL 91 10.164 52.631 57.996 37 3HG1 VAL 91 3HG1 VAL 91 10.649 54.290 58.345 38 1HG2 VAL 91 1HG2 VAL 91 9.557 52.159 55.763 39 2HG2 VAL 91 2HG2 VAL 91 10.165 53.105 54.406 40 3HG2 VAL 91 3HG2 VAL 91 11.200 51.901 55.175 41 H SER 92 H SER 92 13.365 55.068 55.835 42 HA SER 92 HA SER 92 13.947 56.065 53.222 43 1HB SER 92 2HB SER 92 16.093 54.653 54.684 44 2HB SER 92 3HB SER 92 16.085 56.265 53.969 45 HG SER 92 HG SER 92 15.008 57.035 55.764 46 H GLY 93 H GLY 93 15.742 54.761 51.950 47 1HA GLY 93 2HA GLY 93 14.860 51.954 51.731 48 2HA GLY 93 3HA GLY 93 14.985 52.974 50.306 49 HA PRO 94 HA PRO 94 19.028 50.701 51.226 50 1HB PRO 94 2HB PRO 94 19.013 49.092 49.039 51 2HB PRO 94 3HB PRO 94 18.290 48.623 50.583 52 1HG PRO 94 2HG PRO 94 16.970 49.708 48.124 53 2HG PRO 94 3HG PRO 94 16.449 48.384 49.183 54 1HD PRO 94 2HD PRO 94 15.396 50.873 49.336 55 2HD PRO 94 3HD PRO 94 15.568 49.821 50.754 56 H ASN 95 H ASN 95 20.877 51.530 50.437 57 HA ASN 95 HA ASN 95 20.787 53.522 48.398 58 1HB ASN 95 2HB ASN 95 23.007 52.292 50.019 59 2HB ASN 95 3HB ASN 95 23.345 53.439 48.727 60 1HD2 ASN 95 1HD2 ASN 95 23.108 55.559 49.101 61 2HD2 ASN 95 2HD2 ASN 95 22.523 56.236 50.579 62 H SER 96 H SER 96 20.867 53.205 46.284 63 HA SER 96 HA SER 96 21.193 50.726 45.054 64 1HB SER 96 2HB SER 96 21.128 53.550 44.121 65 2HB SER 96 3HB SER 96 21.763 52.346 43.001 66 HG SER 96 HG SER 96 19.654 52.250 42.601 67 HA PRO 97 HA PRO 97 25.504 50.020 44.653 68 1HB PRO 97 2HB PRO 97 25.703 49.018 42.139 69 2HB PRO 97 3HB PRO 97 24.987 48.115 43.479 70 1HG PRO 97 2HG PRO 97 23.636 49.665 41.302 71 2HG PRO 97 3HG PRO 97 23.216 48.077 41.972 72 1HD PRO 97 2HD PRO 97 21.923 50.347 42.684 73 2HD PRO 97 3HD PRO 97 22.158 48.990 43.805 74 H SER 98 H SER 98 27.445 50.458 43.243 75 HA SER 98 HA SER 98 27.260 53.195 42.231 76 1HB SER 98 2HB SER 98 29.512 51.473 43.216 77 2HB SER 98 3HB SER 98 29.855 52.884 42.214 78 HG SER 98 HG SER 98 29.727 53.081 44.656 79 H GLU 99 H GLU 99 29.255 50.402 41.273 80 HA GLU 99 HA GLU 99 28.205 50.216 38.656 81 1HB GLU 99 2HB GLU 99 30.236 52.235 39.086 82 2HB GLU 99 3HB GLU 99 30.791 51.017 37.946 83 1HG GLU 99 2HG GLU 99 28.475 51.392 36.829 84 2HG GLU 99 3HG GLU 99 28.497 52.910 37.725 85 H THR 100 H THR 100 29.801 48.930 37.205 86 HA THR 100 HA THR 100 31.113 46.917 38.912 87 HB THR 100 HB THR 100 30.754 45.674 36.485 88 HG1 THR 100 HG1 THR 100 28.492 46.109 36.030 89 1HG2 THR 100 1HG2 THR 100 28.679 45.601 38.663 90 2HG2 THR 100 2HG2 THR 100 30.288 44.909 38.877 91 3HG2 THR 100 3HG2 THR 100 29.220 44.288 37.619 92 H ARG 101 H ARG 101 33.124 46.118 38.335 93 HA ARG 101 HA ARG 101 34.651 47.843 36.540 94 1HB ARG 101 2HB ARG 101 35.517 45.767 38.559 95 2HB ARG 101 3HB ARG 101 36.627 46.680 37.546 96 1HG ARG 101 2HG ARG 101 35.262 48.710 38.629 97 2HG ARG 101 3HG ARG 101 35.094 47.522 39.922 98 1HD ARG 101 2HD ARG 101 37.755 47.338 39.195 99 2HD ARG 101 3HD ARG 101 37.412 49.065 39.096 100 HE ARG 101 HE ARG 101 37.280 49.123 41.376 101 1HH1 ARG 101 2HH1 ARG 101 36.977 45.821 40.313 102 2HH1 ARG 101 1HH1 ARG 101 37.019 45.163 41.915 103 1HH2 ARG 101 2HH2 ARG 101 37.338 48.269 43.491 104 2HH2 ARG 101 1HH2 ARG 101 37.224 46.557 43.722 105 H ARG 102 H ARG 102 35.921 47.057 34.846 106 HA ARG 102 HA ARG 102 35.403 44.278 34.029 107 1HB ARG 102 2HB ARG 102 34.456 46.616 32.743 108 2HB ARG 102 3HB ARG 102 35.732 45.957 31.727 109 1HG ARG 102 2HG ARG 102 34.511 44.173 31.125 110 2HG ARG 102 3HG ARG 102 33.803 43.985 32.730 111 1HD ARG 102 2HD ARG 102 32.056 45.383 32.274 112 2HD ARG 102 3HD ARG 102 32.985 46.342 31.121 113 HE ARG 102 HE ARG 102 32.492 43.689 30.182 114 1HH1 ARG 102 2HH1 ARG 102 31.098 46.861 30.524 115 2HH1 ARG 102 1HH1 ARG 102 30.000 46.665 29.198 116 1HH2 ARG 102 2HH2 ARG 102 31.052 43.419 28.433 117 2HH2 ARG 102 1HH2 ARG 102 29.973 44.706 28.010 118 H GLU 103 H GLU 103 36.972 43.477 32.404 119 HA GLU 103 HA GLU 103 39.485 44.879 32.172 120 1HB GLU 103 2HB GLU 103 39.103 43.094 34.335 121 2HB GLU 103 3HB GLU 103 40.149 42.277 33.182 122 1HG GLU 103 2HG GLU 103 41.691 44.149 33.219 123 2HG GLU 103 3HG GLU 103 40.631 45.019 34.325 124 H ARG 104 H ARG 104 41.113 43.493 30.962 125 HA ARG 104 HA ARG 104 40.308 41.213 29.522 126 1HB ARG 104 2HB ARG 104 39.238 43.637 28.517 127 2HB ARG 104 3HB ARG 104 40.501 43.130 27.402 128 1HG ARG 104 2HG ARG 104 39.420 40.920 27.233 129 2HG ARG 104 3HG ARG 104 38.124 41.503 28.281 130 1HD ARG 104 2HD ARG 104 38.836 43.018 25.805 131 2HD ARG 104 3HD ARG 104 37.843 41.565 25.688 132 HE ARG 104 HE ARG 104 36.678 43.102 27.647 133 1HH1 ARG 104 2HH1 ARG 104 37.454 43.480 24.275 134 2HH1 ARG 104 1HH1 ARG 104 36.136 44.558 23.958 135 1HH2 ARG 104 2HH2 ARG 104 34.939 44.521 27.243 136 2HH2 ARG 104 1HH2 ARG 104 34.705 45.150 25.647 137 H ALA 105 H ALA 105 41.963 40.380 28.240 138 HA ALA 105 HA ALA 105 44.379 41.991 27.901 139 1HB ALA 105 1HB ALA 105 44.384 39.308 29.278 140 2HB ALA 105 2HB ALA 105 45.807 40.263 28.860 141 3HB ALA 105 3HB ALA 105 44.660 40.867 30.054 142 H PHE 106 H PHE 106 43.505 38.546 27.603 143 HA PHE 106 HA PHE 106 43.754 37.072 25.884 144 1HB PHE 106 2HB PHE 106 42.822 39.544 24.426 145 2HB PHE 106 3HB PHE 106 43.034 37.993 23.619 146 HD1 PHE 106 HD1 PHE 106 41.820 35.973 24.810 147 HD2 PHE 106 HD2 PHE 106 40.748 40.068 25.253 148 HE1 PHE 106 HE1 PHE 106 39.555 35.302 25.501 149 HE2 PHE 106 HE2 PHE 106 38.483 39.404 25.946 150 HZ PHE 106 HZ PHE 106 37.885 37.018 26.073 151 H ASP 107 H ASP 107 46.124 37.297 26.490 152 HA ASP 107 HA ASP 107 47.685 38.449 24.280 153 1HB ASP 107 2HB ASP 107 49.633 38.108 25.890 154 2HB ASP 107 3HB ASP 107 48.454 39.340 26.333 155 H ALA 108 H ALA 108 49.866 37.148 24.026 156 HA ALA 108 HA ALA 108 50.885 35.270 23.242 157 1HB ALA 108 1HB ALA 108 49.302 33.231 24.511 158 2HB ALA 108 2HB ALA 108 50.982 33.687 24.797 159 3HB ALA 108 3HB ALA 108 49.684 34.521 25.653 160 H ASN 109 H ASN 109 50.544 33.315 21.899 161 HA ASN 109 HA ASN 109 48.011 32.579 20.916 162 1HB ASN 109 2HB ASN 109 48.444 35.000 19.985 163 2HB ASN 109 3HB ASN 109 49.481 34.158 18.838 164 1HD2 ASN 109 1HD2 ASN 109 46.360 35.137 19.540 165 2HD2 ASN 109 2HD2 ASN 109 45.523 34.217 18.341 166 H THR 110 H THR 110 49.683 30.835 21.646 167 HA THR 110 HA THR 110 50.837 28.964 21.054 168 HB THR 110 HB THR 110 50.695 29.455 18.139 169 HG1 THR 110 HG1 THR 110 48.368 28.775 18.335 170 1HG2 THR 110 1HG2 THR 110 49.520 27.079 18.575 171 2HG2 THR 110 2HG2 THR 110 50.472 27.212 20.055 172 3HG2 THR 110 3HG2 THR 110 51.268 27.287 18.484 173 H MET 111 H MET 111 52.882 28.232 20.151 174 HA MET 111 HA MET 111 54.613 29.984 18.745 175 1HB MET 111 2HB MET 111 54.415 30.533 21.482 176 2HB MET 111 3HB MET 111 55.918 29.637 21.306 177 1HG MET 111 2HG MET 111 55.745 31.591 19.235 178 2HG MET 111 3HG MET 111 55.438 32.359 20.790 179 1HE MET 111 1HE MET 111 56.792 30.894 22.784 180 2HE MET 111 2HE MET 111 58.553 30.991 22.795 181 3HE MET 111 3HE MET 111 57.589 32.468 22.826 182 H THR 112 H THR 112 57.007 29.136 19.052 183 HA THR 112 HA THR 112 56.843 26.243 18.676 184 HB THR 112 HB THR 112 59.116 26.435 17.726 185 HG1 THR 112 HG1 THR 112 58.777 29.243 18.084 186 1HG2 THR 112 1HG2 THR 112 57.046 28.323 16.604 187 2HG2 THR 112 2HG2 THR 112 57.274 26.623 16.194 188 3HG2 THR 112 3HG2 THR 112 58.494 27.813 15.738 189 H SER 113 H SER 113 59.204 25.251 19.274 190 HA SER 113 HA SER 113 60.433 24.388 20.984 191 1HB SER 113 2HB SER 113 61.729 25.901 22.159 192 2HB SER 113 3HB SER 113 61.168 26.921 20.835 193 HG SER 113 HG SER 113 60.504 28.148 22.414 194 H ALA 114 H ALA 114 57.490 24.430 21.193 195 HA ALA 114 HA ALA 114 55.880 23.780 22.664 196 1HB ALA 114 1HB ALA 114 57.760 23.310 24.892 197 2HB ALA 114 2HB ALA 114 56.505 22.266 24.222 198 3HB ALA 114 3HB ALA 114 58.063 22.406 23.407 199 H GLU 115 H GLU 115 55.114 24.181 25.065 200 HA GLU 115 HA GLU 115 55.720 26.988 25.726 201 1HB GLU 115 2HB GLU 115 53.046 25.724 26.248 202 2HB GLU 115 3HB GLU 115 53.458 27.430 26.160 203 1HG GLU 115 2HG GLU 115 54.106 26.520 23.654 204 2HG GLU 115 3HG GLU 115 52.664 25.587 24.057 205 H LYS 116 H LYS 116 53.932 24.295 27.232 206 HA LYS 116 HA LYS 116 54.801 25.034 29.854 207 1HB LYS 116 2HB LYS 116 52.694 23.605 28.890 208 2HB LYS 116 3HB LYS 116 53.739 22.310 29.461 209 1HG LYS 116 2HG LYS 116 53.801 23.310 31.675 210 2HG LYS 116 3HG LYS 116 52.796 24.647 31.112 211 1HD LYS 116 2HD LYS 116 51.846 21.827 30.809 212 2HD LYS 116 3HD LYS 116 51.702 22.645 32.366 213 1HE LYS 116 2HE LYS 116 50.772 24.498 30.519 214 2HE LYS 116 3HE LYS 116 50.129 22.956 29.953 215 1HZ LYS 116 1HZ LYS 116 48.571 23.893 31.458 216 2HZ LYS 116 2HZ LYS 116 49.757 24.180 32.629 217 3HZ LYS 116 3HZ LYS 116 49.304 22.593 32.256 218 H VAL 117 H VAL 117 55.754 23.277 31.321 219 HA VAL 117 HA VAL 117 58.326 22.586 30.292 220 HB VAL 117 HB VAL 117 57.026 21.813 32.908 221 1HG1 VAL 117 1HG1 VAL 117 59.564 21.655 33.522 222 2HG1 VAL 117 2HG1 VAL 117 58.751 20.298 32.741 223 3HG1 VAL 117 3HG1 VAL 117 59.760 21.388 31.790 224 1HG2 VAL 117 1HG2 VAL 117 58.410 24.233 31.956 225 2HG2 VAL 117 2HG2 VAL 117 57.218 24.038 33.242 226 3HG2 VAL 117 3HG2 VAL 117 58.910 23.638 33.539 227 H LEU 118 H LEU 118 58.149 21.092 28.656 228 HA LEU 118 HA LEU 118 56.549 18.752 28.816 229 1HB LEU 118 2HB LEU 118 58.489 19.914 26.959 230 2HB LEU 118 3HB LEU 118 58.486 18.152 26.980 231 HG LEU 118 HG LEU 118 55.894 19.599 26.679 232 1HD1 LEU 118 1HD1 LEU 118 57.594 20.605 25.096 233 2HD1 LEU 118 2HD1 LEU 118 56.157 19.903 24.357 234 3HD1 LEU 118 3HD1 LEU 118 57.682 19.018 24.334 235 1HD2 LEU 118 1HD2 LEU 118 56.203 17.076 26.948 236 2HD2 LEU 118 2HD2 LEU 118 56.860 17.106 25.312 237 3HD2 LEU 118 3HD2 LEU 118 55.203 17.635 25.607 238 H CYS 119 H CYS 119 57.165 16.520 29.158 239 HA CYS 119 HA CYS 119 59.189 16.273 31.128 240 1HB CYS 119 2HB CYS 119 57.090 14.950 31.162 241 2HB CYS 119 3HB CYS 119 57.596 14.111 29.710 242 H GLN 120 H GLN 120 61.275 16.075 30.676 243 HA GLN 120 HA GLN 120 62.283 15.712 28.039 244 1HB GLN 120 2HB GLN 120 63.486 16.023 30.755 245 2HB GLN 120 3HB GLN 120 64.501 15.432 29.446 246 1HG GLN 120 2HG GLN 120 63.163 17.645 28.400 247 2HG GLN 120 3HG GLN 120 63.641 18.109 30.032 248 1HE2 GLN 120 1HE2 GLN 120 65.991 16.774 30.344 249 2HE2 GLN 120 2HE2 GLN 120 67.162 17.368 29.222 250 H PHE 121 H PHE 121 61.825 13.613 30.807 251 HA PHE 121 HA PHE 121 63.369 11.441 29.787 252 1HB PHE 121 2HB PHE 121 62.419 12.008 32.232 253 2HB PHE 121 3HB PHE 121 61.158 10.904 31.697 254 HD1 PHE 121 HD1 PHE 121 64.887 11.087 31.579 255 HD2 PHE 121 HD2 PHE 121 61.427 8.721 32.318 256 HE1 PHE 121 HE1 PHE 121 66.322 9.175 32.159 257 HE2 PHE 121 HE2 PHE 121 62.857 6.806 32.902 258 HZ PHE 121 HZ PHE 121 65.308 7.031 32.823 259 H CYS 122 H CYS 122 60.115 12.630 29.192 260 HA CYS 122 HA CYS 122 58.956 10.196 28.458 261 1HB CYS 122 2HB CYS 122 58.309 13.071 28.163 262 2HB CYS 122 3HB CYS 122 57.619 12.031 26.933 263 H ASP 123 H ASP 123 58.470 9.543 26.244 264 HA ASP 123 HA ASP 123 60.153 10.555 24.107 265 1HB ASP 123 2HB ASP 123 60.959 8.304 25.634 266 2HB ASP 123 3HB ASP 123 60.439 7.706 24.060 267 H GLN 124 H GLN 124 57.271 10.277 24.759 268 HA GLN 124 HA GLN 124 56.158 8.240 23.121 269 1HB GLN 124 2HB GLN 124 55.054 10.739 24.376 270 2HB GLN 124 3HB GLN 124 54.073 9.750 23.302 271 1HG GLN 124 2HG GLN 124 54.023 7.968 24.770 272 2HG GLN 124 3HG GLN 124 55.467 8.503 25.628 273 1HE2 GLN 124 1HE2 GLN 124 54.202 8.159 27.551 274 2HE2 GLN 124 2HE2 GLN 124 53.108 9.385 28.087 275 H ASP 125 H ASP 125 56.661 11.724 22.642 276 HA ASP 125 HA ASP 125 56.823 12.993 20.759 277 1HB ASP 125 2HB ASP 125 58.479 11.189 20.150 278 2HB ASP 125 3HB ASP 125 57.184 10.397 19.257 279 HA PRO 126 HA PRO 126 55.623 14.474 21.002 280 1HB PRO 126 2HB PRO 126 53.349 15.391 22.168 281 2HB PRO 126 3HB PRO 126 53.811 15.798 20.510 282 1HG PRO 126 2HG PRO 126 51.874 13.733 21.484 283 2HG PRO 126 3HG PRO 126 51.713 14.867 20.130 284 1HD PRO 126 2HD PRO 126 52.392 12.268 19.783 285 2HD PRO 126 3HD PRO 126 52.988 13.561 18.723 286 H ALA 127 H ALA 127 55.988 14.892 23.233 287 HA ALA 127 HA ALA 127 55.775 12.533 24.885 288 1HB ALA 127 1HB ALA 127 56.976 14.150 26.543 289 2HB ALA 127 2HB ALA 127 57.844 13.505 25.149 290 3HB ALA 127 3HB ALA 127 57.198 15.146 25.104 291 H GLN 128 H GLN 128 55.406 13.210 27.378 292 HA GLN 128 HA GLN 128 52.705 14.364 27.429 293 1HB GLN 128 2HB GLN 128 53.395 11.942 28.285 294 2HB GLN 128 3HB GLN 128 53.798 12.839 29.743 295 1HG GLN 128 2HG GLN 128 51.385 13.835 29.380 296 2HG GLN 128 3HG GLN 128 51.155 12.330 28.493 297 1HE2 GLN 128 1HE2 GLN 128 49.821 13.092 30.880 298 2HE2 GLN 128 2HE2 GLN 128 50.245 11.948 32.103 299 H ASP 129 H ASP 129 52.243 16.118 28.627 300 HA ASP 129 HA ASP 129 54.197 17.898 29.440 301 1HB ASP 129 2HB ASP 129 51.461 17.766 30.705 302 2HB ASP 129 3HB ASP 129 52.463 19.189 30.430 303 H ALA 130 H ALA 130 55.326 18.272 31.272 304 HA ALA 130 HA ALA 130 55.207 16.209 33.336 305 1HB ALA 130 1HB ALA 130 57.274 17.971 32.263 306 2HB ALA 130 2HB ALA 130 57.294 17.840 34.023 307 3HB ALA 130 3HB ALA 130 57.415 16.388 33.029 308 H VAL 131 H VAL 131 54.545 16.555 35.379 309 HA VAL 131 HA VAL 131 53.838 19.317 36.135 310 HB VAL 131 HB VAL 131 52.006 18.394 37.493 311 1HG1 VAL 131 1HG1 VAL 131 52.146 18.455 34.631 312 2HG1 VAL 131 2HG1 VAL 131 51.008 17.211 35.150 313 3HG1 VAL 131 3HG1 VAL 131 50.802 18.878 35.691 314 1HG2 VAL 131 1HG2 VAL 131 51.315 16.037 37.120 315 2HG2 VAL 131 2HG2 VAL 131 52.826 15.772 36.249 316 3HG2 VAL 131 3HG2 VAL 131 52.857 16.193 37.961 317 H LYS 132 H LYS 132 56.287 17.639 36.625 318 HA LYS 132 HA LYS 132 56.398 18.103 39.510 319 1HB LYS 132 2HB LYS 132 57.292 15.532 38.193 320 2HB LYS 132 3HB LYS 132 57.551 15.955 39.880 321 1HG LYS 132 2HG LYS 132 54.805 15.798 38.681 322 2HG LYS 132 3HG LYS 132 55.625 14.388 39.356 323 1HD LYS 132 2HD LYS 132 55.470 15.154 41.502 324 2HD LYS 132 3HD LYS 132 55.511 16.850 41.015 325 1HE LYS 132 2HE LYS 132 53.214 16.632 40.153 326 2HE LYS 132 3HE LYS 132 53.181 14.958 40.705 327 1HZ LYS 132 1HZ LYS 132 53.877 16.989 42.679 328 2HZ LYS 132 2HZ LYS 132 52.967 15.574 42.857 329 3HZ LYS 132 3HZ LYS 132 52.266 16.949 42.164 330 H THR 133 H THR 133 58.663 18.059 40.328 331 HA THR 133 HA THR 133 60.788 18.342 38.399 332 HB THR 133 HB THR 133 60.434 20.758 40.113 333 HG1 THR 133 HG1 THR 133 59.084 21.698 38.593 334 1HG2 THR 133 1HG2 THR 133 62.393 20.056 38.463 335 2HG2 THR 133 2HG2 THR 133 61.897 21.738 38.655 336 3HG2 THR 133 3HG2 THR 133 61.322 20.800 37.276 337 H CYS 134 H CYS 134 62.201 16.927 39.428 338 HA CYS 134 HA CYS 134 62.412 17.102 42.297 339 1HB CYS 134 2HB CYS 134 62.357 14.894 41.198 340 2HB CYS 134 3HB CYS 134 63.826 15.280 40.323 341 H VAL 135 H VAL 135 63.738 18.560 43.141 342 HA VAL 135 HA VAL 135 65.606 20.093 41.681 343 HB VAL 135 HB VAL 135 66.352 20.939 43.888 344 1HG1 VAL 135 1HG1 VAL 135 63.443 20.816 43.196 345 2HG1 VAL 135 2HG1 VAL 135 63.992 21.700 44.621 346 3HG1 VAL 135 3HG1 VAL 135 64.576 22.155 43.020 347 1HG2 VAL 135 1HG2 VAL 135 64.460 18.837 44.931 348 2HG2 VAL 135 2HG2 VAL 135 66.195 18.956 45.226 349 3HG2 VAL 135 3HG2 VAL 135 65.100 20.163 45.901 350 H THR 136 H THR 136 65.923 17.236 43.710 351 HA THR 136 HA THR 136 68.752 17.240 43.868 352 HB THR 136 HB THR 136 68.592 15.206 44.935 353 HG1 THR 136 HG1 THR 136 67.809 13.832 43.433 354 1HG2 THR 136 1HG2 THR 136 66.916 16.988 45.821 355 2HG2 THR 136 2HG2 THR 136 66.829 15.339 46.439 356 3HG2 THR 136 3HG2 THR 136 65.688 15.881 45.210 357 H CYS 137 H CYS 137 66.431 15.966 41.454 358 HA CYS 137 HA CYS 137 68.541 14.547 40.108 359 1HB CYS 137 2HB CYS 137 65.588 14.910 39.578 360 2HB CYS 137 3HB CYS 137 66.648 14.179 38.390 361 H GLU 138 H GLU 138 67.046 17.631 40.192 362 HA GLU 138 HA GLU 138 67.398 19.583 39.076 363 1HB GLU 138 2HB GLU 138 69.846 18.389 39.134 364 2HB GLU 138 3HB GLU 138 69.610 18.586 37.403 365 1HG GLU 138 2HG GLU 138 69.180 20.986 37.766 366 2HG GLU 138 3HG GLU 138 69.517 20.761 39.482 367 H VAL 139 H VAL 139 65.644 17.559 37.997 368 HA VAL 139 HA VAL 139 65.426 18.607 35.296 369 HB VAL 139 HB VAL 139 65.599 15.636 35.817 370 1HG1 VAL 139 1HG1 VAL 139 64.900 17.175 33.322 371 2HG1 VAL 139 2HG1 VAL 139 65.318 15.461 33.342 372 3HG1 VAL 139 3HG1 VAL 139 63.883 16.030 34.197 373 1HG2 VAL 139 1HG2 VAL 139 67.402 17.580 34.401 374 2HG2 VAL 139 2HG2 VAL 139 67.797 16.481 35.723 375 3HG2 VAL 139 3HG2 VAL 139 67.471 15.841 34.111 376 H SER 140 H SER 140 63.343 18.605 34.503 377 HA SER 140 HA SER 140 61.272 18.065 36.481 378 1HB SER 140 2HB SER 140 61.276 20.252 35.355 379 2HB SER 140 3HB SER 140 61.100 19.451 33.793 380 HG SER 140 HG SER 140 59.079 18.717 34.437 381 H TYR 141 H TYR 141 59.893 16.411 36.376 382 HA TYR 141 HA TYR 141 59.723 14.891 33.859 383 1HB TYR 141 2HB TYR 141 59.730 13.716 36.647 384 2HB TYR 141 3HB TYR 141 59.620 12.819 35.137 385 HD1 TYR 141 HD1 TYR 141 61.636 13.467 33.435 386 HD2 TYR 141 HD2 TYR 141 61.783 13.702 37.680 387 HE1 TYR 141 HE1 TYR 141 64.088 13.300 33.353 388 HE2 TYR 141 HE2 TYR 141 64.236 13.536 37.610 389 HH TYR 141 HH TYR 141 65.951 12.922 34.601 390 H CYS 142 H CYS 142 57.712 13.237 34.016 391 HA CYS 142 HA CYS 142 55.496 14.940 34.847 392 1HB CYS 142 2HB CYS 142 54.127 13.699 33.287 393 2HB CYS 142 3HB CYS 142 55.571 14.260 32.468 394 H ASP 143 H ASP 143 53.641 12.750 34.857 395 HA ASP 143 HA ASP 143 54.058 11.772 37.531 396 1HB ASP 143 2HB ASP 143 51.825 11.804 35.579 397 2HB ASP 143 3HB ASP 143 51.815 10.500 36.764 398 H GLU 144 H GLU 144 53.204 10.064 34.515 399 HA GLU 144 HA GLU 144 53.661 7.496 35.267 400 1HB GLU 144 2HB GLU 144 54.408 8.749 32.620 401 2HB GLU 144 3HB GLU 144 54.267 7.020 32.906 402 1HG GLU 144 2HG GLU 144 51.861 8.091 33.802 403 2HG GLU 144 3HG GLU 144 52.224 8.960 32.312 404 H CYS 145 H CYS 145 56.222 9.575 33.706 405 HA CYS 145 HA CYS 145 58.270 7.809 33.985 406 1HB CYS 145 2HB CYS 145 58.236 10.832 34.034 407 2HB CYS 145 3HB CYS 145 59.733 9.925 34.116 408 H LEU 146 H LEU 146 57.310 10.419 36.215 409 HA LEU 146 HA LEU 146 59.077 9.991 38.280 410 1HB LEU 146 2HB LEU 146 57.578 11.888 38.216 411 2HB LEU 146 3HB LEU 146 56.185 10.829 38.432 412 HG LEU 146 HG LEU 146 57.522 10.226 40.668 413 1HD1 LEU 146 1HD1 LEU 146 58.478 12.931 39.827 414 2HD1 LEU 146 2HD1 LEU 146 59.380 11.596 40.545 415 3HD1 LEU 146 3HD1 LEU 146 58.273 12.546 41.535 416 1HD2 LEU 146 1HD2 LEU 146 55.506 12.308 40.006 417 2HD2 LEU 146 2HD2 LEU 146 56.171 12.277 41.639 418 3HD2 LEU 146 3HD2 LEU 146 55.350 10.855 40.994 419 H LYS 147 H LYS 147 56.286 8.122 37.386 420 HA LYS 147 HA LYS 147 56.002 6.701 39.836 421 1HB LYS 147 2HB LYS 147 54.577 6.889 37.456 422 2HB LYS 147 3HB LYS 147 55.152 5.226 37.473 423 1HG LYS 147 2HG LYS 147 54.149 4.898 39.675 424 2HG LYS 147 3HG LYS 147 53.572 6.567 39.660 425 1HD LYS 147 2HD LYS 147 52.319 6.012 37.557 426 2HD LYS 147 3HD LYS 147 52.756 4.322 37.820 427 1HE LYS 147 2HE LYS 147 51.542 4.242 39.863 428 2HE LYS 147 3HE LYS 147 51.315 5.991 39.870 429 1HZ LYS 147 1HZ LYS 147 49.495 5.783 38.644 430 2HZ LYS 147 2HZ LYS 147 49.592 4.107 38.848 431 3HZ LYS 147 3HZ LYS 147 50.286 4.834 37.487 432 H ALA 148 H ALA 148 57.745 6.082 36.824 433 HA ALA 148 HA ALA 148 58.685 3.504 37.703 434 1HB ALA 148 1HB ALA 148 59.845 3.390 35.617 435 2HB ALA 148 2HB ALA 148 58.245 4.067 35.313 436 3HB ALA 148 3HB ALA 148 59.657 5.124 35.357 437 H THR 149 H THR 149 60.207 6.662 37.065 438 HA THR 149 HA THR 149 62.762 5.899 38.028 439 HB THR 149 HB THR 149 61.647 8.704 37.849 440 HG1 THR 149 HG1 THR 149 61.983 8.601 35.745 441 1HG2 THR 149 1HG2 THR 149 63.842 8.219 39.100 442 2HG2 THR 149 2HG2 THR 149 63.865 9.460 37.847 443 3HG2 THR 149 3HG2 THR 149 64.508 7.853 37.509 444 H HIS 150 H HIS 150 60.081 7.710 39.496 445 HA HIS 150 HA HIS 150 61.396 7.384 42.112 446 1HB HIS 150 2HB HIS 150 59.441 9.491 41.175 447 2HB HIS 150 3HB HIS 150 59.983 9.318 42.842 448 HD2 HIS 150 HD2 HIS 150 60.985 12.029 42.252 449 HE1 HIS 150 HE1 HIS 150 64.418 10.486 40.294 450 HA PRO 151 HA PRO 151 57.596 4.709 42.110 451 1HB PRO 151 2HB PRO 151 58.812 2.574 43.267 452 2HB PRO 151 3HB PRO 151 58.810 2.849 41.521 453 1HG PRO 151 2HG PRO 151 60.947 3.445 43.530 454 2HG PRO 151 3HG PRO 151 61.099 2.737 41.912 455 1HD PRO 151 2HD PRO 151 61.634 5.343 42.418 456 2HD PRO 151 3HD PRO 151 60.976 4.786 40.866 457 H ASN 152 H ASN 152 56.364 5.544 43.697 458 HA ASN 152 HA ASN 152 56.531 4.637 46.329 459 1HB ASN 152 2HB ASN 152 58.189 6.943 45.779 460 2HB ASN 152 3HB ASN 152 56.945 7.339 46.962 461 1HD2 ASN 152 1HD2 ASN 152 56.655 5.077 48.375 462 2HD2 ASN 152 2HD2 ASN 152 58.127 4.665 49.180 463 H LYS 153 H LYS 153 55.237 6.425 47.810 464 HA LYS 153 HA LYS 153 53.033 7.523 46.231 465 1HB LYS 153 2HB LYS 153 52.660 5.591 48.529 466 2HB LYS 153 3HB LYS 153 51.367 6.482 47.736 467 1HG LYS 153 2HG LYS 153 51.881 5.336 45.631 468 2HG LYS 153 3HG LYS 153 53.151 4.423 46.451 469 1HD LYS 153 2HD LYS 153 51.012 3.970 48.076 470 2HD LYS 153 3HD LYS 153 50.237 4.069 46.494 471 1HE LYS 153 2HE LYS 153 52.302 2.498 45.856 472 2HE LYS 153 3HE LYS 153 52.151 2.074 47.561 473 1HZ LYS 153 1HZ LYS 153 50.662 1.079 45.474 474 2HZ LYS 153 2HZ LYS 153 49.611 2.121 46.291 475 3HZ LYS 153 3HZ LYS 153 50.366 0.857 47.124 476 H LYS 154 H LYS 154 54.029 9.525 46.865 477 HA LYS 154 HA LYS 154 54.143 11.420 48.117 478 1HB LYS 154 2HB LYS 154 51.802 9.990 49.140 479 2HB LYS 154 3HB LYS 154 52.519 11.081 50.318 480 1HG LYS 154 2HG LYS 154 51.565 12.814 49.332 481 2HG LYS 154 3HG LYS 154 52.362 12.420 47.808 482 1HD LYS 154 2HD LYS 154 50.408 10.577 47.787 483 2HD LYS 154 3HD LYS 154 49.611 11.843 48.724 484 1HE LYS 154 2HE LYS 154 51.017 12.529 46.178 485 2HE LYS 154 3HE LYS 154 49.405 11.816 46.126 486 1HZ LYS 154 1HZ LYS 154 50.230 14.467 46.955 487 2HZ LYS 154 2HZ LYS 154 49.062 13.742 47.940 488 3HZ LYS 154 3HZ LYS 154 48.766 13.947 46.287 489 HA PRO 155 HA PRO 155 53.720 12.855 50.118 490 1HB PRO 155 2HB PRO 155 55.659 14.599 50.871 491 2HB PRO 155 3HB PRO 155 54.616 13.765 52.028 492 1HG PRO 155 2HG PRO 155 57.413 13.110 51.185 493 2HG PRO 155 3HG PRO 155 56.702 13.097 52.809 494 1HD PRO 155 2HD PRO 155 57.066 10.840 51.361 495 2HD PRO 155 3HD PRO 155 55.717 11.037 52.499 496 H PHE 156 H PHE 156 57.135 12.438 49.213 497 HA PHE 156 HA PHE 156 56.530 13.776 46.658 498 1HB PHE 156 2HB PHE 156 58.889 14.052 48.482 499 2HB PHE 156 3HB PHE 156 59.107 14.274 46.750 500 HD1 PHE 156 HD1 PHE 156 56.931 15.739 45.788 501 HD2 PHE 156 HD2 PHE 156 58.793 16.040 49.603 502 HE1 PHE 156 HE1 PHE 156 56.143 18.062 45.986 503 HE2 PHE 156 HE2 PHE 156 58.008 18.362 49.807 504 HZ PHE 156 HZ PHE 156 56.680 19.376 47.998 505 H THR 157 H THR 157 56.107 11.111 46.834 506 HA THR 157 HA THR 157 56.686 9.056 46.020 507 HB THR 157 HB THR 157 57.642 9.025 43.815 508 HG1 THR 157 HG1 THR 157 58.388 11.293 43.091 509 1HG2 THR 157 1HG2 THR 157 56.320 11.630 43.536 510 2HG2 THR 157 2HG2 THR 157 55.406 10.448 44.472 511 3HG2 THR 157 3HG2 THR 157 55.911 10.069 42.826 512 H GLY 158 H GLY 158 58.391 10.069 48.128 513 1HA GLY 158 2HA GLY 158 60.181 9.023 49.216 514 2HA GLY 158 3HA GLY 158 60.647 8.285 47.690 515 H HIS 159 H HIS 159 60.960 10.425 46.039 516 HA HIS 159 HA HIS 159 63.449 11.507 46.990 517 1HB HIS 159 2HB HIS 159 62.364 10.938 44.486 518 2HB HIS 159 3HB HIS 159 62.464 12.695 44.528 519 HD2 HIS 159 HD2 HIS 159 65.391 12.451 46.373 520 HE1 HIS 159 HE1 HIS 159 66.767 10.978 42.640 521 H ARG 160 H ARG 160 63.587 14.011 45.922 522 HA ARG 160 HA ARG 160 61.790 15.505 47.696 523 1HB ARG 160 2HB ARG 160 64.548 15.618 47.334 524 2HB ARG 160 3HB ARG 160 63.946 17.044 46.499 525 1HG ARG 160 2HG ARG 160 63.393 18.081 48.406 526 2HG ARG 160 3HG ARG 160 62.773 16.604 49.146 527 1HD ARG 160 2HD ARG 160 65.301 15.946 49.246 528 2HD ARG 160 3HD ARG 160 65.555 17.686 49.098 529 HE ARG 160 HE ARG 160 64.643 16.275 51.406 530 1HH1 ARG 160 2HH1 ARG 160 64.438 19.304 49.701 531 2HH1 ARG 160 1HH1 ARG 160 64.060 20.226 51.118 532 1HH2 ARG 160 2HH2 ARG 160 64.146 17.478 53.279 533 2HH2 ARG 160 1HH2 ARG 160 63.896 19.187 53.153 534 H LEU 161 H LEU 161 61.896 18.005 46.664 535 HA LEU 161 HA LEU 161 61.411 18.142 43.871 536 1HB LEU 161 2HB LEU 161 59.268 17.185 45.400 537 2HB LEU 161 3HB LEU 161 58.881 18.866 45.036 538 HG LEU 161 HG LEU 161 59.794 17.457 42.678 539 1HD1 LEU 161 1HD1 LEU 161 58.057 15.872 42.423 540 2HD1 LEU 161 2HD1 LEU 161 57.249 16.411 43.894 541 3HD1 LEU 161 3HD1 LEU 161 58.789 15.558 43.997 542 1HD2 LEU 161 1HD2 LEU 161 57.564 19.205 43.550 543 2HD2 LEU 161 2HD2 LEU 161 57.304 18.208 42.119 544 3HD2 LEU 161 3HD2 LEU 161 58.647 19.350 42.165 545 H ILE 162 H ILE 162 59.784 20.301 43.655 546 HA ILE 162 HA ILE 162 61.407 22.457 44.231 547 HB ILE 162 HB ILE 162 58.401 22.520 43.945 548 1HG1 ILE 162 2HG1 ILE 162 59.477 21.398 42.053 549 2HG1 ILE 162 3HG1 ILE 162 58.851 22.970 41.567 550 1HG2 ILE 162 1HG2 ILE 162 59.039 24.841 42.970 551 2HG2 ILE 162 2HG2 ILE 162 58.942 24.629 44.718 552 3HG2 ILE 162 3HG2 ILE 162 60.513 24.634 43.917 553 1HD1 ILE 162 1HD1 ILE 162 60.965 22.750 40.560 554 2HD1 ILE 162 2HD1 ILE 162 61.184 23.861 41.912 555 3HD1 ILE 162 3HD1 ILE 162 61.704 22.182 42.057 556 H GLU 163 H GLU 163 61.799 23.684 45.966 557 HA GLU 163 HA GLU 163 61.112 22.949 48.537 558 1HB GLU 163 2HB GLU 163 62.231 25.391 47.285 559 2HB GLU 163 3HB GLU 163 61.567 25.580 48.901 560 1HG GLU 163 2HG GLU 163 63.018 23.559 49.520 561 2HG GLU 163 3HG GLU 163 63.856 23.876 48.001 562 HA PRO 164 HA PRO 164 57.060 24.397 49.387 563 1HB PRO 164 2HB PRO 164 57.298 25.356 51.915 564 2HB PRO 164 3HB PRO 164 57.338 23.631 51.535 565 1HG PRO 164 2HG PRO 164 59.609 25.511 52.052 566 2HG PRO 164 3HG PRO 164 59.376 23.852 52.633 567 1HD PRO 164 2HD PRO 164 60.992 24.449 50.544 568 2HD PRO 164 3HD PRO 164 60.093 22.922 50.650 Start of MODEL 4 1 1H GLN 87 H GLN 87 129.493 17.157 58.408 2 HA GLN 87 HA GLN 87 130.873 16.506 56.422 3 1HB GLN 87 2HB GLN 87 130.892 13.865 57.894 4 2HB GLN 87 3HB GLN 87 131.592 14.178 56.311 5 1HG GLN 87 2HG GLN 87 132.485 15.678 58.745 6 2HG GLN 87 3HG GLN 87 133.155 14.103 58.326 7 1HE2 GLN 87 1HE2 GLN 87 135.120 15.521 58.301 8 2HE2 GLN 87 2HE2 GLN 87 135.537 16.259 56.796 9 H LYS 88 H LYS 88 128.571 17.184 56.060 10 HA LYS 88 HA LYS 88 127.111 14.925 54.939 11 1HB LYS 88 2HB LYS 88 124.958 15.847 55.907 12 2HB LYS 88 3HB LYS 88 126.030 15.042 57.046 13 1HG LYS 88 2HG LYS 88 126.869 17.252 57.761 14 2HG LYS 88 3HG LYS 88 125.696 18.012 56.683 15 1HD LYS 88 2HD LYS 88 124.236 17.942 58.363 16 2HD LYS 88 3HD LYS 88 124.221 16.185 58.189 17 1HE LYS 88 2HE LYS 88 126.425 16.419 59.658 18 2HE LYS 88 3HE LYS 88 125.612 17.895 60.177 19 1HZ LYS 88 1HZ LYS 88 124.230 16.723 61.430 20 2HZ LYS 88 2HZ LYS 88 125.169 15.351 61.120 21 3HZ LYS 88 3HZ LYS 88 123.820 15.689 60.156 22 H ALA 89 H ALA 89 126.661 15.424 52.907 23 HA ALA 89 HA ALA 89 126.617 18.216 52.075 24 1HB ALA 89 1HB ALA 89 126.429 17.124 49.761 25 2HB ALA 89 2HB ALA 89 127.942 16.931 50.648 26 3HB ALA 89 3HB ALA 89 126.774 15.611 50.600 27 H SER 90 H SER 90 124.838 19.311 51.500 28 HA SER 90 HA SER 90 122.261 18.064 51.911 29 1HB SER 90 2HB SER 90 123.046 20.904 51.220 30 2HB SER 90 3HB SER 90 121.386 20.377 51.502 31 HG SER 90 HG SER 90 121.752 20.384 53.571 32 H VAL 91 H VAL 91 120.478 18.783 50.292 33 HA VAL 91 HA VAL 91 121.456 18.222 47.567 34 HB VAL 91 HB VAL 91 118.759 17.483 48.710 35 1HG1 VAL 91 1HG1 VAL 91 119.966 17.372 46.020 36 2HG1 VAL 91 2HG1 VAL 91 119.062 15.945 46.528 37 3HG1 VAL 91 3HG1 VAL 91 118.277 17.524 46.502 38 1HG2 VAL 91 1HG2 VAL 91 121.303 16.194 48.964 39 2HG2 VAL 91 2HG2 VAL 91 119.738 15.704 49.613 40 3HG2 VAL 91 3HG2 VAL 91 120.223 15.189 47.998 41 H SER 92 H SER 92 120.932 19.610 45.992 42 HA SER 92 HA SER 92 118.725 21.489 46.406 43 1HB SER 92 2HB SER 92 121.477 22.194 46.609 44 2HB SER 92 3HB SER 92 120.846 22.911 45.126 45 HG SER 92 HG SER 92 120.196 24.381 46.512 46 H GLY 93 H GLY 93 117.896 22.425 44.469 47 1HA GLY 93 2HA GLY 93 118.471 22.514 41.953 48 2HA GLY 93 3HA GLY 93 118.470 20.763 42.109 49 HA PRO 94 HA PRO 94 113.916 22.287 42.817 50 1HB PRO 94 2HB PRO 94 113.398 24.833 42.027 51 2HB PRO 94 3HB PRO 94 113.890 24.419 43.674 52 1HG PRO 94 2HG PRO 94 115.539 25.488 41.416 53 2HG PRO 94 3HG PRO 94 115.551 25.952 43.127 54 1HD PRO 94 2HD PRO 94 117.406 24.296 42.054 55 2HD PRO 94 3HD PRO 94 116.856 24.153 43.737 56 H ASN 95 H ASN 95 112.757 21.346 41.267 57 HA ASN 95 HA ASN 95 113.498 21.418 38.529 58 1HB ASN 95 2HB ASN 95 112.024 19.712 40.050 59 2HB ASN 95 3HB ASN 95 110.749 20.556 39.174 60 1HD2 ASN 95 1HD2 ASN 95 110.165 18.813 37.942 61 2HD2 ASN 95 2HD2 ASN 95 111.169 18.159 36.697 62 H SER 96 H SER 96 111.273 21.647 37.034 63 HA SER 96 HA SER 96 110.802 24.512 37.097 64 1HB SER 96 2HB SER 96 110.920 22.489 35.068 65 2HB SER 96 3HB SER 96 109.360 23.310 34.971 66 HG SER 96 HG SER 96 111.934 24.311 34.577 67 HA PRO 97 HA PRO 97 106.714 24.478 38.686 68 1HB PRO 97 2HB PRO 97 105.466 26.323 37.133 69 2HB PRO 97 3HB PRO 97 106.668 26.752 38.356 70 1HG PRO 97 2HG PRO 97 106.998 26.462 35.395 71 2HG PRO 97 3HG PRO 97 107.643 27.712 36.476 72 1HD PRO 97 2HD PRO 97 109.140 25.636 35.592 73 2HD PRO 97 3HD PRO 97 109.382 26.377 37.187 74 H SER 98 H SER 98 104.335 24.367 37.989 75 HA SER 98 HA SER 98 104.003 22.787 35.537 76 1HB SER 98 2HB SER 98 102.469 21.252 36.815 77 2HB SER 98 3HB SER 98 104.169 21.126 37.267 78 HG SER 98 HG SER 98 102.193 22.629 38.649 79 H GLU 99 H GLU 99 102.855 24.295 34.429 80 HA GLU 99 HA GLU 99 100.539 25.536 35.721 81 1HB GLU 99 2HB GLU 99 101.810 26.102 33.036 82 2HB GLU 99 3HB GLU 99 100.478 27.003 33.746 83 1HG GLU 99 2HG GLU 99 102.029 28.371 34.548 84 2HG GLU 99 3HG GLU 99 102.384 27.098 35.714 85 H THR 100 H THR 100 98.966 23.989 35.725 86 HA THR 100 HA THR 100 98.401 22.109 33.779 87 HB THR 100 HB THR 100 95.951 23.137 34.952 88 HG1 THR 100 HG1 THR 100 97.762 22.250 36.906 89 1HG2 THR 100 1HG2 THR 100 97.482 20.582 35.449 90 2HG2 THR 100 2HG2 THR 100 96.340 20.830 34.129 91 3HG2 THR 100 3HG2 THR 100 95.780 20.877 35.800 92 H ARG 101 H ARG 101 97.188 22.047 31.935 93 HA ARG 101 HA ARG 101 96.726 24.573 30.614 94 1HB ARG 101 2HB ARG 101 97.686 22.522 29.491 95 2HB ARG 101 3HB ARG 101 96.081 21.809 29.586 96 1HG ARG 101 2HG ARG 101 95.409 24.073 28.388 97 2HG ARG 101 3HG ARG 101 97.091 23.996 27.861 98 1HD ARG 101 2HD ARG 101 96.692 22.294 26.458 99 2HD ARG 101 3HD ARG 101 95.669 21.456 27.624 100 HE ARG 101 HE ARG 101 94.118 23.515 26.792 101 1HH1 ARG 101 2HH1 ARG 101 95.894 21.017 25.140 102 2HH1 ARG 101 1HH1 ARG 101 94.803 20.948 23.796 103 1HH2 ARG 101 2HH2 ARG 101 92.674 23.434 25.028 104 2HH2 ARG 101 1HH2 ARG 101 92.971 22.324 23.733 105 H ARG 102 H ARG 102 94.859 25.632 30.517 106 HA ARG 102 HA ARG 102 92.497 24.468 31.724 107 1HB ARG 102 2HB ARG 102 91.543 26.683 31.576 108 2HB ARG 102 3HB ARG 102 93.181 26.803 32.205 109 1HG ARG 102 2HG ARG 102 93.765 27.188 29.667 110 2HG ARG 102 3HG ARG 102 92.077 27.699 29.600 111 1HD ARG 102 2HD ARG 102 92.551 29.636 30.587 112 2HD ARG 102 3HD ARG 102 93.403 28.823 31.899 113 HE ARG 102 HE ARG 102 95.064 28.829 29.654 114 1HH1 ARG 102 2HH1 ARG 102 93.656 31.082 31.905 115 2HH1 ARG 102 1HH1 ARG 102 94.946 32.230 31.764 116 1HH2 ARG 102 2HH2 ARG 102 96.769 30.334 29.460 117 2HH2 ARG 102 1HH2 ARG 102 96.715 31.804 30.372 118 H GLU 103 H GLU 103 90.366 25.344 30.488 119 HA GLU 103 HA GLU 103 90.554 24.845 27.627 120 1HB GLU 103 2HB GLU 103 88.919 23.121 29.493 121 2HB GLU 103 3HB GLU 103 88.733 23.132 27.745 122 1HG GLU 103 2HG GLU 103 91.293 22.611 27.768 123 2HG GLU 103 3HG GLU 103 90.957 22.062 29.409 124 H ARG 104 H ARG 104 89.401 26.372 26.671 125 HA ARG 104 HA ARG 104 86.870 27.221 27.905 126 1HB ARG 104 2HB ARG 104 87.351 29.547 27.240 127 2HB ARG 104 3HB ARG 104 88.516 28.935 28.408 128 1HG ARG 104 2HG ARG 104 89.899 28.353 26.261 129 2HG ARG 104 3HG ARG 104 88.881 29.596 25.530 130 1HD ARG 104 2HD ARG 104 90.351 30.071 28.103 131 2HD ARG 104 3HD ARG 104 91.125 30.316 26.538 132 HE ARG 104 HE ARG 104 89.138 31.987 27.773 133 1HH1 ARG 104 2HH1 ARG 104 90.594 31.010 24.765 134 2HH1 ARG 104 1HH1 ARG 104 90.163 32.468 23.933 135 1HH2 ARG 104 2HH2 ARG 104 88.564 33.910 26.688 136 2HH2 ARG 104 1HH2 ARG 104 89.010 34.116 25.028 137 H ALA 105 H ALA 105 85.283 28.013 26.442 138 HA ALA 105 HA ALA 105 85.811 27.529 23.595 139 1HB ALA 105 1HB ALA 105 84.362 25.849 23.401 140 2HB ALA 105 2HB ALA 105 84.395 25.746 25.162 141 3HB ALA 105 3HB ALA 105 83.141 26.689 24.358 142 H PHE 106 H PHE 106 84.424 28.652 22.153 143 HA PHE 106 HA PHE 106 83.470 31.160 23.236 144 1HB PHE 106 2HB PHE 106 83.493 30.169 20.377 145 2HB PHE 106 3HB PHE 106 83.178 31.821 20.897 146 HD1 PHE 106 HD1 PHE 106 85.756 29.190 20.695 147 HD2 PHE 106 HD2 PHE 106 84.944 33.312 21.372 148 HE1 PHE 106 HE1 PHE 106 88.164 29.682 20.562 149 HE2 PHE 106 HE2 PHE 106 87.349 33.811 21.238 150 HZ PHE 106 HZ PHE 106 88.963 31.996 20.832 151 H ASP 107 H ASP 107 81.379 31.963 21.895 152 HA ASP 107 HA ASP 107 79.312 29.891 22.220 153 1HB ASP 107 2HB ASP 107 77.829 31.906 22.922 154 2HB ASP 107 3HB ASP 107 78.932 31.207 24.104 155 H ALA 108 H ALA 108 77.264 30.429 21.069 156 HA ALA 108 HA ALA 108 77.603 32.198 18.767 157 1HB ALA 108 1HB ALA 108 78.151 29.557 18.462 158 2HB ALA 108 2HB ALA 108 76.436 29.604 18.051 159 3HB ALA 108 3HB ALA 108 77.581 30.618 17.173 160 H ASN 109 H ASN 109 75.367 31.617 17.353 161 HA ASN 109 HA ASN 109 73.337 32.896 18.793 162 1HB ASN 109 2HB ASN 109 73.742 32.363 16.172 163 2HB ASN 109 3HB ASN 109 72.499 31.169 16.537 164 1HD2 ASN 109 1HD2 ASN 109 73.143 34.388 15.799 165 2HD2 ASN 109 2HD2 ASN 109 71.560 35.028 16.062 166 H THR 110 H THR 110 72.638 31.980 20.647 167 HA THR 110 HA THR 110 72.259 29.207 21.043 168 HB THR 110 HB THR 110 70.616 31.006 22.704 169 HG1 THR 110 HG1 THR 110 72.639 31.739 23.757 170 1HG2 THR 110 1HG2 THR 110 71.903 29.780 24.498 171 2HG2 THR 110 2HG2 THR 110 72.679 28.864 23.204 172 3HG2 THR 110 3HG2 THR 110 70.933 28.763 23.433 173 H MET 111 H MET 111 70.591 27.900 20.608 174 HA MET 111 HA MET 111 68.555 28.588 18.856 175 1HB MET 111 2HB MET 111 67.574 26.449 19.345 176 2HB MET 111 3HB MET 111 69.323 26.269 19.363 177 1HG MET 111 2HG MET 111 68.740 26.843 21.983 178 2HG MET 111 3HG MET 111 67.375 25.849 21.478 179 1HE MET 111 1HE MET 111 71.420 24.659 22.729 180 2HE MET 111 2HE MET 111 71.616 25.500 21.192 181 3HE MET 111 3HE MET 111 70.751 26.278 22.518 182 H THR 112 H THR 112 66.226 28.645 19.206 183 HA THR 112 HA THR 112 65.429 30.601 21.008 184 HB THR 112 HB THR 112 64.125 29.999 19.006 185 HG1 THR 112 HG1 THR 112 62.974 31.129 20.534 186 1HG2 THR 112 1HG2 THR 112 64.401 27.430 19.737 187 2HG2 THR 112 2HG2 THR 112 63.113 27.993 18.671 188 3HG2 THR 112 3HG2 THR 112 62.793 27.745 20.387 189 H SER 113 H SER 113 64.639 30.615 23.047 190 HA SER 113 HA SER 113 65.247 28.518 24.801 191 1HB SER 113 2HB SER 113 64.486 29.899 26.483 192 2HB SER 113 3HB SER 113 64.732 31.089 25.205 193 HG SER 113 HG SER 113 62.586 31.200 24.871 194 H ALA 114 H ALA 114 63.205 28.009 26.458 195 HA ALA 114 HA ALA 114 61.281 26.569 24.751 196 1HB ALA 114 1HB ALA 114 62.535 25.847 27.380 197 2HB ALA 114 2HB ALA 114 61.052 25.074 26.817 198 3HB ALA 114 3HB ALA 114 62.532 24.941 25.867 199 H GLU 115 H GLU 115 59.102 26.471 25.386 200 HA GLU 115 HA GLU 115 58.267 28.739 27.033 201 1HB GLU 115 2HB GLU 115 56.418 27.007 25.418 202 2HB GLU 115 3HB GLU 115 56.206 28.681 25.911 203 1HG GLU 115 2HG GLU 115 58.477 28.783 24.374 204 2HG GLU 115 3HG GLU 115 57.492 27.576 23.550 205 H LYS 116 H LYS 116 56.951 25.470 26.489 206 HA LYS 116 HA LYS 116 56.125 25.390 29.294 207 1HB LYS 116 2HB LYS 116 55.075 24.339 26.816 208 2HB LYS 116 3HB LYS 116 55.267 23.051 27.999 209 1HG LYS 116 2HG LYS 116 53.915 24.282 29.594 210 2HG LYS 116 3HG LYS 116 53.761 25.619 28.453 211 1HD LYS 116 2HD LYS 116 52.933 23.480 26.958 212 2HD LYS 116 3HD LYS 116 52.335 23.065 28.566 213 1HE LYS 116 2HE LYS 116 50.599 24.292 27.573 214 2HE LYS 116 3HE LYS 116 51.402 25.434 28.648 215 1HZ LYS 116 1HZ LYS 116 52.102 26.683 26.937 216 2HZ LYS 116 2HZ LYS 116 50.840 25.940 26.092 217 3HZ LYS 116 3HZ LYS 116 52.419 25.356 25.936 218 H VAL 117 H VAL 117 56.381 23.321 30.472 219 HA VAL 117 HA VAL 117 59.066 22.241 29.998 220 HB VAL 117 HB VAL 117 57.355 21.931 32.466 221 1HG1 VAL 117 1HG1 VAL 117 60.078 21.775 33.078 222 2HG1 VAL 117 2HG1 VAL 117 58.908 20.454 33.056 223 3HG1 VAL 117 3HG1 VAL 117 59.866 20.809 31.618 224 1HG2 VAL 117 1HG2 VAL 117 57.717 24.159 32.639 225 2HG2 VAL 117 2HG2 VAL 117 59.287 23.625 33.238 226 3HG2 VAL 117 3HG2 VAL 117 59.110 24.128 31.558 227 H LEU 118 H LEU 118 58.933 20.542 28.643 228 HA LEU 118 HA LEU 118 56.808 18.569 29.012 229 1HB LEU 118 2HB LEU 118 58.681 19.274 26.820 230 2HB LEU 118 3HB LEU 118 58.121 17.606 26.918 231 HG LEU 118 HG LEU 118 56.201 19.916 26.847 232 1HD1 LEU 118 1HD1 LEU 118 57.806 18.755 24.655 233 2HD1 LEU 118 2HD1 LEU 118 57.094 20.361 24.819 234 3HD1 LEU 118 3HD1 LEU 118 56.087 18.995 24.337 235 1HD2 LEU 118 1HD2 LEU 118 54.588 18.356 26.612 236 2HD2 LEU 118 2HD2 LEU 118 55.771 17.321 27.411 237 3HD2 LEU 118 3HD2 LEU 118 55.609 17.284 25.654 238 H CYS 119 H CYS 119 57.170 16.355 29.536 239 HA CYS 119 HA CYS 119 59.307 15.865 31.212 240 1HB CYS 119 2HB CYS 119 57.188 14.606 31.266 241 2HB CYS 119 3HB CYS 119 57.573 13.862 29.727 242 H GLN 120 H GLN 120 61.374 15.615 30.702 243 HA GLN 120 HA GLN 120 62.299 15.338 28.018 244 1HB GLN 120 2HB GLN 120 63.473 15.806 30.659 245 2HB GLN 120 3HB GLN 120 64.489 14.828 29.608 246 1HG GLN 120 2HG GLN 120 64.034 16.673 27.856 247 2HG GLN 120 3HG GLN 120 63.560 17.643 29.249 248 1HE2 GLN 120 1HE2 GLN 120 65.129 18.928 29.866 249 2HE2 GLN 120 2HE2 GLN 120 66.815 18.550 29.890 250 H PHE 121 H PHE 121 61.699 13.147 30.648 251 HA PHE 121 HA PHE 121 63.223 10.975 29.551 252 1HB PHE 121 2HB PHE 121 62.276 11.498 32.033 253 2HB PHE 121 3HB PHE 121 61.047 10.374 31.462 254 HD1 PHE 121 HD1 PHE 121 64.768 10.682 31.419 255 HD2 PHE 121 HD2 PHE 121 61.378 8.166 31.959 256 HE1 PHE 121 HE1 PHE 121 66.257 8.794 31.946 257 HE2 PHE 121 HE2 PHE 121 62.860 6.275 32.488 258 HZ PHE 121 HZ PHE 121 65.303 6.588 32.482 259 H CYS 122 H CYS 122 60.006 12.288 29.047 260 HA CYS 122 HA CYS 122 58.777 9.903 28.236 261 1HB CYS 122 2HB CYS 122 58.166 12.800 28.112 262 2HB CYS 122 3HB CYS 122 57.417 11.830 26.859 263 H ASP 123 H ASP 123 58.226 9.374 26.008 264 HA ASP 123 HA ASP 123 60.025 10.417 23.946 265 1HB ASP 123 2HB ASP 123 60.368 7.897 25.211 266 2HB ASP 123 3HB ASP 123 59.789 7.589 23.576 267 H GLN 124 H GLN 124 57.127 10.598 24.568 268 HA GLN 124 HA GLN 124 55.695 8.996 22.708 269 1HB GLN 124 2HB GLN 124 55.088 11.357 24.414 270 2HB GLN 124 3HB GLN 124 54.012 11.036 23.060 271 1HG GLN 124 2HG GLN 124 53.365 8.959 23.915 272 2HG GLN 124 3HG GLN 124 54.720 8.903 25.040 273 1HE2 GLN 124 1HE2 GLN 124 52.514 8.352 26.221 274 2HE2 GLN 124 2HE2 GLN 124 51.853 9.680 27.107 275 H ASP 125 H ASP 125 56.778 12.384 22.637 276 HA ASP 125 HA ASP 125 57.193 13.811 20.916 277 1HB ASP 125 2HB ASP 125 58.547 11.806 20.135 278 2HB ASP 125 3HB ASP 125 57.182 11.403 19.097 279 HA PRO 126 HA PRO 126 56.223 15.423 21.317 280 1HB PRO 126 2HB PRO 126 54.077 16.542 22.548 281 2HB PRO 126 3HB PRO 126 54.650 17.059 20.958 282 1HG PRO 126 2HG PRO 126 52.391 15.222 21.652 283 2HG PRO 126 3HG PRO 126 52.450 16.514 20.439 284 1HD PRO 126 2HD PRO 126 52.735 13.900 19.797 285 2HD PRO 126 3HD PRO 126 53.557 15.196 18.907 286 H ALA 127 H ALA 127 56.650 15.455 23.550 287 HA ALA 127 HA ALA 127 56.112 13.002 24.910 288 1HB ALA 127 1HB ALA 127 58.125 13.653 25.649 289 2HB ALA 127 2HB ALA 127 57.800 15.358 25.333 290 3HB ALA 127 3HB ALA 127 57.209 14.607 26.815 291 H GLN 128 H GLN 128 55.572 13.304 27.412 292 HA GLN 128 HA GLN 128 52.887 14.434 27.450 293 1HB GLN 128 2HB GLN 128 53.660 12.072 28.318 294 2HB GLN 128 3HB GLN 128 54.081 12.972 29.768 295 1HG GLN 128 2HG GLN 128 51.746 13.817 29.847 296 2HG GLN 128 3HG GLN 128 51.366 12.749 28.496 297 1HE2 GLN 128 1HE2 GLN 128 52.870 12.649 31.706 298 2HE2 GLN 128 2HE2 GLN 128 52.185 11.132 32.168 299 H ASP 129 H ASP 129 52.206 16.042 28.803 300 HA ASP 129 HA ASP 129 53.936 18.068 29.526 301 1HB ASP 129 2HB ASP 129 51.239 17.384 30.715 302 2HB ASP 129 3HB ASP 129 52.081 18.912 30.962 303 H ALA 130 H ALA 130 55.258 18.462 31.191 304 HA ALA 130 HA ALA 130 55.430 16.444 33.303 305 1HB ALA 130 1HB ALA 130 57.603 17.819 33.785 306 2HB ALA 130 2HB ALA 130 57.543 16.684 32.435 307 3HB ALA 130 3HB ALA 130 57.345 18.413 32.144 308 H VAL 131 H VAL 131 54.645 16.834 35.260 309 HA VAL 131 HA VAL 131 54.322 19.638 36.117 310 HB VAL 131 HB VAL 131 52.360 18.904 37.442 311 1HG1 VAL 131 1HG1 VAL 131 52.293 19.818 35.040 312 2HG1 VAL 131 2HG1 VAL 131 51.886 18.165 34.576 313 3HG1 VAL 131 3HG1 VAL 131 50.839 19.054 35.683 314 1HG2 VAL 131 1HG2 VAL 131 51.485 16.777 37.386 315 2HG2 VAL 131 2HG2 VAL 131 52.236 16.391 35.838 316 3HG2 VAL 131 3HG2 VAL 131 53.213 16.431 37.306 317 H LYS 132 H LYS 132 56.357 17.339 36.569 318 HA LYS 132 HA LYS 132 56.671 17.877 39.419 319 1HB LYS 132 2HB LYS 132 56.391 15.139 38.205 320 2HB LYS 132 3HB LYS 132 57.291 15.385 39.696 321 1HG LYS 132 2HG LYS 132 55.393 16.044 40.877 322 2HG LYS 132 3HG LYS 132 54.476 16.365 39.403 323 1HD LYS 132 2HD LYS 132 55.036 13.738 39.081 324 2HD LYS 132 3HD LYS 132 54.937 13.834 40.840 325 1HE LYS 132 2HE LYS 132 52.743 15.153 40.371 326 2HE LYS 132 3HE LYS 132 52.834 14.386 38.786 327 1HZ LYS 132 1HZ LYS 132 53.166 12.253 40.222 328 2HZ LYS 132 2HZ LYS 132 51.613 12.862 39.944 329 3HZ LYS 132 3HZ LYS 132 52.389 13.166 41.416 330 H THR 133 H THR 133 58.600 18.824 39.469 331 HA THR 133 HA THR 133 60.775 17.664 37.853 332 HB THR 133 HB THR 133 60.646 20.488 38.919 333 HG1 THR 133 HG1 THR 133 59.310 20.789 37.308 334 1HG2 THR 133 1HG2 THR 133 62.314 19.806 36.591 335 2HG2 THR 133 2HG2 THR 133 62.828 19.086 38.117 336 3HG2 THR 133 3HG2 THR 133 62.668 20.836 37.978 337 H CYS 134 H CYS 134 62.541 16.784 38.901 338 HA CYS 134 HA CYS 134 62.484 16.883 41.768 339 1HB CYS 134 2HB CYS 134 63.066 14.855 40.215 340 2HB CYS 134 3HB CYS 134 64.665 15.569 40.157 341 H VAL 135 H VAL 135 64.093 17.814 43.029 342 HA VAL 135 HA VAL 135 65.534 20.027 41.801 343 HB VAL 135 HB VAL 135 65.992 20.760 44.098 344 1HG1 VAL 135 1HG1 VAL 135 63.655 21.212 44.767 345 2HG1 VAL 135 2HG1 VAL 135 63.950 21.517 43.054 346 3HG1 VAL 135 3HG1 VAL 135 63.111 20.049 43.559 347 1HG2 VAL 135 1HG2 VAL 135 66.188 19.029 45.543 348 2HG2 VAL 135 2HG2 VAL 135 64.474 19.352 45.808 349 3HG2 VAL 135 3HG2 VAL 135 64.970 18.058 44.716 350 H THR 136 H THR 136 66.177 17.054 43.579 351 HA THR 136 HA THR 136 68.999 17.490 43.773 352 HB THR 136 HB THR 136 68.010 16.069 45.421 353 HG1 THR 136 HG1 THR 136 70.056 15.357 44.906 354 1HG2 THR 136 1HG2 THR 136 67.002 14.465 43.078 355 2HG2 THR 136 2HG2 THR 136 66.057 15.256 44.341 356 3HG2 THR 136 3HG2 THR 136 67.036 13.840 44.726 357 H CYS 137 H CYS 137 66.822 15.877 41.433 358 HA CYS 137 HA CYS 137 69.080 14.720 40.072 359 1HB CYS 137 2HB CYS 137 66.129 14.731 39.355 360 2HB CYS 137 3HB CYS 137 67.375 13.841 38.502 361 H GLU 138 H GLU 138 67.154 17.559 40.116 362 HA GLU 138 HA GLU 138 67.138 19.488 38.912 363 1HB GLU 138 2HB GLU 138 69.631 19.208 39.282 364 2HB GLU 138 3HB GLU 138 69.710 18.522 37.665 365 1HG GLU 138 2HG GLU 138 68.384 20.826 37.171 366 2HG GLU 138 3HG GLU 138 69.407 21.309 38.523 367 H VAL 139 H VAL 139 65.525 17.596 37.884 368 HA VAL 139 HA VAL 139 65.560 18.249 35.054 369 HB VAL 139 HB VAL 139 65.503 15.373 35.982 370 1HG1 VAL 139 1HG1 VAL 139 63.974 15.632 34.164 371 2HG1 VAL 139 2HG1 VAL 139 65.137 16.598 33.254 372 3HG1 VAL 139 3HG1 VAL 139 65.440 14.883 33.534 373 1HG2 VAL 139 1HG2 VAL 139 67.560 17.018 34.539 374 2HG2 VAL 139 2HG2 VAL 139 67.754 16.043 35.996 375 3HG2 VAL 139 3HG2 VAL 139 67.529 15.258 34.433 376 H SER 140 H SER 140 63.537 18.171 34.089 377 HA SER 140 HA SER 140 61.306 18.004 35.969 378 1HB SER 140 2HB SER 140 60.050 19.011 33.943 379 2HB SER 140 3HB SER 140 61.217 20.032 34.786 380 HG SER 140 HG SER 140 62.093 18.480 32.626 381 H TYR 141 H TYR 141 59.863 16.404 35.951 382 HA TYR 141 HA TYR 141 59.713 14.665 33.584 383 1HB TYR 141 2HB TYR 141 59.837 13.781 36.473 384 2HB TYR 141 3HB TYR 141 59.454 12.718 35.123 385 HD1 TYR 141 HD1 TYR 141 61.375 13.505 33.085 386 HD2 TYR 141 HD2 TYR 141 61.903 13.116 37.289 387 HE1 TYR 141 HE1 TYR 141 63.772 13.076 32.739 388 HE2 TYR 141 HE2 TYR 141 64.301 12.688 36.954 389 HH TYR 141 HH TYR 141 65.633 11.830 34.095 390 H CYS 142 H CYS 142 57.670 13.072 33.854 391 HA CYS 142 HA CYS 142 55.488 14.876 34.544 392 1HB CYS 142 2HB CYS 142 54.093 13.511 33.101 393 2HB CYS 142 3HB CYS 142 55.532 14.011 32.234 394 H ASP 143 H ASP 143 53.586 12.743 34.743 395 HA ASP 143 HA ASP 143 53.999 11.975 37.488 396 1HB ASP 143 2HB ASP 143 51.713 10.790 37.022 397 2HB ASP 143 3HB ASP 143 51.784 12.548 37.113 398 H GLU 144 H GLU 144 53.064 10.062 34.623 399 HA GLU 144 HA GLU 144 53.485 7.550 35.608 400 1HB GLU 144 2HB GLU 144 53.522 8.763 32.926 401 2HB GLU 144 3HB GLU 144 54.394 7.242 33.052 402 1HG GLU 144 2HG GLU 144 52.078 6.662 34.361 403 2HG GLU 144 3HG GLU 144 51.523 7.778 33.116 404 H CYS 145 H CYS 145 55.988 9.393 33.694 405 HA CYS 145 HA CYS 145 58.020 7.632 34.021 406 1HB CYS 145 2HB CYS 145 57.985 10.637 33.772 407 2HB CYS 145 3HB CYS 145 59.501 9.780 33.964 408 H LEU 146 H LEU 146 57.308 10.467 36.067 409 HA LEU 146 HA LEU 146 59.157 10.134 38.063 410 1HB LEU 146 2HB LEU 146 57.763 12.082 37.970 411 2HB LEU 146 3HB LEU 146 56.316 11.115 38.250 412 HG LEU 146 HG LEU 146 58.047 10.694 40.451 413 1HD1 LEU 146 1HD1 LEU 146 57.844 13.247 41.154 414 2HD1 LEU 146 2HD1 LEU 146 58.050 13.471 39.418 415 3HD1 LEU 146 3HD1 LEU 146 59.272 12.601 40.346 416 1HD2 LEU 146 1HD2 LEU 146 56.096 12.232 41.446 417 2HD2 LEU 146 2HD2 LEU 146 55.860 10.537 41.016 418 3HD2 LEU 146 3HD2 LEU 146 55.364 11.809 39.898 419 H LYS 147 H LYS 147 56.207 8.349 37.534 420 HA LYS 147 HA LYS 147 56.082 7.121 40.097 421 1HB LYS 147 2HB LYS 147 54.387 7.279 37.968 422 2HB LYS 147 3HB LYS 147 54.963 5.624 37.819 423 1HG LYS 147 2HG LYS 147 54.250 5.156 40.099 424 2HG LYS 147 3HG LYS 147 53.701 6.825 40.277 425 1HD LYS 147 2HD LYS 147 51.738 6.291 39.381 426 2HD LYS 147 3HD LYS 147 52.543 5.734 37.912 427 1HE LYS 147 2HE LYS 147 51.522 3.792 38.528 428 2HE LYS 147 3HE LYS 147 53.028 3.616 39.429 429 1HZ LYS 147 1HZ LYS 147 51.273 3.122 40.907 430 2HZ LYS 147 2HZ LYS 147 50.395 4.497 40.465 431 3HZ LYS 147 3HZ LYS 147 51.830 4.657 41.347 432 H ALA 148 H ALA 148 57.456 6.155 36.981 433 HA ALA 148 HA ALA 148 58.337 3.598 37.941 434 1HB ALA 148 1HB ALA 148 57.826 3.795 35.618 435 2HB ALA 148 2HB ALA 148 58.960 5.131 35.424 436 3HB ALA 148 3HB ALA 148 59.560 3.508 35.765 437 H THR 149 H THR 149 60.036 6.584 36.981 438 HA THR 149 HA THR 149 62.584 5.709 37.842 439 HB THR 149 HB THR 149 61.647 8.568 37.552 440 HG1 THR 149 HG1 THR 149 62.689 6.734 35.635 441 1HG2 THR 149 1HG2 THR 149 64.421 7.505 37.106 442 2HG2 THR 149 2HG2 THR 149 63.877 8.016 38.704 443 3HG2 THR 149 3HG2 THR 149 63.905 9.170 37.370 444 H HIS 150 H HIS 150 60.168 7.838 39.351 445 HA HIS 150 HA HIS 150 61.616 7.537 41.900 446 1HB HIS 150 2HB HIS 150 59.763 9.752 40.998 447 2HB HIS 150 3HB HIS 150 60.491 9.637 42.597 448 HD2 HIS 150 HD2 HIS 150 61.480 12.257 41.424 449 HE1 HIS 150 HE1 HIS 150 64.763 10.216 39.674 450 HA PRO 151 HA PRO 151 57.617 5.219 42.314 451 1HB PRO 151 2HB PRO 151 58.718 3.084 43.577 452 2HB PRO 151 3HB PRO 151 58.642 3.223 41.818 453 1HG PRO 151 2HG PRO 151 60.929 3.788 43.666 454 2HG PRO 151 3HG PRO 151 60.934 2.948 42.103 455 1HD PRO 151 2HD PRO 151 61.703 5.530 42.372 456 2HD PRO 151 3HD PRO 151 60.917 4.915 40.903 457 H ASN 152 H ASN 152 56.538 4.531 44.299 458 HA ASN 152 HA ASN 152 55.889 4.814 46.460 459 1HB ASN 152 2HB ASN 152 58.654 5.480 47.360 460 2HB ASN 152 3HB ASN 152 57.448 4.440 48.113 461 1HD2 ASN 152 1HD2 ASN 152 60.366 4.367 46.808 462 2HD2 ASN 152 2HD2 ASN 152 60.379 2.784 46.115 463 H LYS 153 H LYS 153 54.698 6.596 46.674 464 HA LYS 153 HA LYS 153 55.977 9.050 47.517 465 1HB LYS 153 2HB LYS 153 54.393 8.869 44.956 466 2HB LYS 153 3HB LYS 153 54.645 10.385 45.809 467 1HG LYS 153 2HG LYS 153 57.157 9.767 45.649 468 2HG LYS 153 3HG LYS 153 56.624 8.674 44.369 469 1HD LYS 153 2HD LYS 153 55.888 10.420 43.017 470 2HD LYS 153 3HD LYS 153 55.784 11.550 44.369 471 1HE LYS 153 2HE LYS 153 58.458 10.765 44.282 472 2HE LYS 153 3HE LYS 153 57.996 10.991 42.596 473 1HZ LYS 153 1HZ LYS 153 57.933 12.963 44.797 474 2HZ LYS 153 2HZ LYS 153 57.032 13.191 43.384 475 3HZ LYS 153 3HZ LYS 153 58.717 13.076 43.303 476 H LYS 154 H LYS 154 54.898 9.385 49.348 477 HA LYS 154 HA LYS 154 52.203 10.149 49.393 478 1HB LYS 154 2HB LYS 154 51.627 7.845 49.067 479 2HB LYS 154 3HB LYS 154 52.757 7.326 50.311 480 1HG LYS 154 2HG LYS 154 51.271 7.641 51.938 481 2HG LYS 154 3HG LYS 154 50.779 9.213 51.304 482 1HD LYS 154 2HD LYS 154 49.686 7.572 49.456 483 2HD LYS 154 3HD LYS 154 49.601 6.544 50.888 484 1HE LYS 154 2HE LYS 154 48.046 7.842 51.885 485 2HE LYS 154 3HE LYS 154 48.760 9.338 51.283 486 1HZ LYS 154 1HZ LYS 154 47.750 8.016 49.075 487 2HZ LYS 154 2HZ LYS 154 47.130 9.409 49.805 488 3HZ LYS 154 3HZ LYS 154 46.555 7.886 50.265 489 HA PRO 155 HA PRO 155 52.229 12.037 49.774 490 1HB PRO 155 2HB PRO 155 53.728 14.264 50.181 491 2HB PRO 155 3HB PRO 155 52.283 13.892 51.127 492 1HG PRO 155 2HG PRO 155 55.163 13.465 51.822 493 2HG PRO 155 3HG PRO 155 53.848 14.086 52.836 494 1HD PRO 155 2HD PRO 155 54.721 11.527 52.987 495 2HD PRO 155 3HD PRO 155 53.030 11.978 53.284 496 H PHE 156 H PHE 156 55.721 12.141 50.510 497 HA PHE 156 HA PHE 156 56.322 11.325 47.789 498 1HB PHE 156 2HB PHE 156 57.431 13.901 48.924 499 2HB PHE 156 3HB PHE 156 57.841 13.192 47.365 500 HD1 PHE 156 HD1 PHE 156 56.148 13.114 45.562 501 HD2 PHE 156 HD2 PHE 156 55.468 15.190 49.215 502 HE1 PHE 156 HE1 PHE 156 54.303 14.355 44.509 503 HE2 PHE 156 HE2 PHE 156 53.621 16.434 48.168 504 HZ PHE 156 HZ PHE 156 53.037 16.017 45.812 505 H THR 157 H THR 157 56.757 9.603 49.611 506 HA THR 157 HA THR 157 59.063 9.838 51.212 507 HB THR 157 HB THR 157 57.370 8.119 51.632 508 HG1 THR 157 HG1 THR 157 58.839 6.498 52.130 509 1HG2 THR 157 1HG2 THR 157 56.730 6.535 50.150 510 2HG2 THR 157 2HG2 THR 157 58.362 6.322 49.517 511 3HG2 THR 157 3HG2 THR 157 57.369 7.670 48.962 512 H GLY 158 H GLY 158 58.690 9.409 47.850 513 1HA GLY 158 2HA GLY 158 61.164 8.003 47.401 514 2HA GLY 158 3HA GLY 158 60.139 8.735 46.175 515 H HIS 159 H HIS 159 60.563 10.792 45.460 516 HA HIS 159 HA HIS 159 63.068 11.977 46.454 517 1HB HIS 159 2HB HIS 159 62.051 11.458 43.779 518 2HB HIS 159 3HB HIS 159 62.516 13.144 43.988 519 HD2 HIS 159 HD2 HIS 159 65.187 12.476 45.906 520 HE1 HIS 159 HE1 HIS 159 66.479 10.405 42.437 521 H ARG 160 H ARG 160 63.141 14.436 45.862 522 HA ARG 160 HA ARG 160 60.804 15.627 47.141 523 1HB ARG 160 2HB ARG 160 63.430 16.943 46.437 524 2HB ARG 160 3HB ARG 160 62.191 17.563 47.519 525 1HG ARG 160 2HG ARG 160 62.631 15.810 49.108 526 2HG ARG 160 3HG ARG 160 63.773 15.048 47.999 527 1HD ARG 160 2HD ARG 160 65.366 16.701 48.300 528 2HD ARG 160 3HD ARG 160 64.178 17.885 48.845 529 HE ARG 160 HE ARG 160 64.525 17.158 50.975 530 1HH1 ARG 160 2HH1 ARG 160 65.553 14.665 48.774 531 2HH1 ARG 160 1HH1 ARG 160 66.183 13.641 50.022 532 1HH2 ARG 160 2HH2 ARG 160 65.349 15.819 52.628 533 2HH2 ARG 160 1HH2 ARG 160 66.065 14.297 52.214 534 H LEU 161 H LEU 161 60.825 18.181 46.240 535 HA LEU 161 HA LEU 161 60.736 18.212 43.345 536 1HB LEU 161 2HB LEU 161 58.429 17.563 44.799 537 2HB LEU 161 3HB LEU 161 58.225 19.240 44.299 538 HG LEU 161 HG LEU 161 59.084 17.941 41.999 539 1HD1 LEU 161 1HD1 LEU 161 58.727 15.757 42.549 540 2HD1 LEU 161 2HD1 LEU 161 57.111 16.185 41.989 541 3HD1 LEU 161 3HD1 LEU 161 57.463 16.139 43.717 542 1HD2 LEU 161 1HD2 LEU 161 56.176 18.233 42.472 543 2HD2 LEU 161 2HD2 LEU 161 57.171 18.793 41.127 544 3HD2 LEU 161 3HD2 LEU 161 57.171 19.677 42.654 545 H ILE 162 H ILE 162 59.336 20.488 42.891 546 HA ILE 162 HA ILE 162 61.139 22.515 43.523 547 HB ILE 162 HB ILE 162 58.230 22.857 42.785 548 1HG1 ILE 162 2HG1 ILE 162 59.377 21.461 41.151 549 2HG1 ILE 162 3HG1 ILE 162 59.077 23.056 40.468 550 1HG2 ILE 162 1HG2 ILE 162 60.395 24.725 43.290 551 2HG2 ILE 162 2HG2 ILE 162 59.685 24.928 41.688 552 3HG2 ILE 162 3HG2 ILE 162 58.664 25.018 43.123 553 1HD1 ILE 162 1HD1 ILE 162 61.285 22.260 39.880 554 2HD1 ILE 162 2HD1 ILE 162 61.396 23.678 40.923 555 3HD1 ILE 162 3HD1 ILE 162 61.691 22.070 41.585 556 H GLU 163 H GLU 163 61.456 23.722 45.273 557 HA GLU 163 HA GLU 163 60.220 23.293 47.710 558 1HB GLU 163 2HB GLU 163 61.998 25.370 46.586 559 2HB GLU 163 3HB GLU 163 61.086 25.844 48.013 560 1HG GLU 163 2HG GLU 163 62.122 23.297 48.562 561 2HG GLU 163 3HG GLU 163 63.428 24.215 47.813 562 HA PRO 164 HA PRO 164 56.425 25.491 47.753 563 1HB PRO 164 2HB PRO 164 56.400 26.572 50.243 564 2HB PRO 164 3HB PRO 164 56.184 24.843 49.945 565 1HG PRO 164 2HG PRO 164 58.643 26.326 50.790 566 2HG PRO 164 3HG PRO 164 58.007 24.780 51.385 567 1HD PRO 164 2HD PRO 164 60.039 24.931 49.601 568 2HD PRO 164 3HD PRO 164 58.868 23.598 49.602 Start of MODEL 5 1 1H GLN 87 H GLN 87 57.299 -37.105 -19.429 2 HA GLN 87 HA GLN 87 59.457 -36.407 -19.238 3 1HB GLN 87 2HB GLN 87 58.728 -35.763 -22.054 4 2HB GLN 87 3HB GLN 87 60.246 -35.129 -21.432 5 1HG GLN 87 2HG GLN 87 60.505 -37.270 -22.611 6 2HG GLN 87 3HG GLN 87 61.028 -37.342 -20.929 7 1HE2 GLN 87 1HE2 GLN 87 58.503 -38.234 -23.182 8 2HE2 GLN 87 2HE2 GLN 87 57.836 -39.511 -22.227 9 H LYS 88 H LYS 88 59.195 -34.951 -17.554 10 HA LYS 88 HA LYS 88 59.443 -32.141 -18.335 11 1HB LYS 88 2HB LYS 88 57.907 -31.489 -16.476 12 2HB LYS 88 3HB LYS 88 57.110 -32.329 -17.800 13 1HG LYS 88 2HG LYS 88 56.930 -34.327 -16.544 14 2HG LYS 88 3HG LYS 88 58.013 -33.716 -15.291 15 1HD LYS 88 2HD LYS 88 55.981 -33.371 -14.285 16 2HD LYS 88 3HD LYS 88 56.193 -31.823 -15.107 17 1HE LYS 88 2HE LYS 88 54.134 -32.234 -15.909 18 2HE LYS 88 3HE LYS 88 54.984 -33.275 -17.049 19 1HZ LYS 88 1HZ LYS 88 53.083 -33.993 -15.114 20 2HZ LYS 88 2HZ LYS 88 54.545 -34.748 -14.724 21 3HZ LYS 88 3HZ LYS 88 53.853 -34.983 -16.250 22 H ALA 89 H ALA 89 60.936 -31.051 -17.187 23 HA ALA 89 HA ALA 89 61.783 -32.038 -14.579 24 1HB ALA 89 1HB ALA 89 63.487 -33.169 -15.493 25 2HB ALA 89 2HB ALA 89 63.359 -32.318 -17.032 26 3HB ALA 89 3HB ALA 89 64.225 -31.580 -15.686 27 H SER 90 H SER 90 62.876 -30.495 -13.318 28 HA SER 90 HA SER 90 63.710 -27.970 -14.246 29 1HB SER 90 2HB SER 90 61.947 -26.537 -13.771 30 2HB SER 90 3HB SER 90 61.091 -27.932 -14.426 31 HG SER 90 HG SER 90 60.767 -26.820 -12.066 32 H VAL 91 H VAL 91 64.270 -26.496 -12.468 33 HA VAL 91 HA VAL 91 64.977 -28.028 -10.072 34 HB VAL 91 HB VAL 91 66.596 -26.264 -9.604 35 1HG1 VAL 91 1HG1 VAL 91 68.092 -27.211 -10.964 36 2HG1 VAL 91 2HG1 VAL 91 66.736 -28.120 -11.633 37 3HG1 VAL 91 3HG1 VAL 91 67.269 -26.630 -12.411 38 1HG2 VAL 91 1HG2 VAL 91 65.448 -24.964 -12.069 39 2HG2 VAL 91 2HG2 VAL 91 65.454 -24.327 -10.424 40 3HG2 VAL 91 3HG2 VAL 91 66.969 -24.481 -11.316 41 H SER 92 H SER 92 64.836 -26.985 -7.968 42 HA SER 92 HA SER 92 63.080 -24.709 -7.677 43 1HB SER 92 2HB SER 92 62.226 -27.435 -6.675 44 2HB SER 92 3HB SER 92 61.424 -25.914 -6.286 45 HG SER 92 HG SER 92 61.336 -27.422 -8.589 46 H GLY 93 H GLY 93 62.539 -24.529 -5.162 47 1HA GLY 93 2HA GLY 93 63.364 -24.209 -3.043 48 2HA GLY 93 3HA GLY 93 64.389 -25.609 -3.317 49 HA PRO 94 HA PRO 94 66.867 -21.767 -4.916 50 1HB PRO 94 2HB PRO 94 65.845 -19.332 -4.287 51 2HB PRO 94 3HB PRO 94 65.451 -20.181 -5.786 52 1HG PRO 94 2HG PRO 94 63.880 -19.999 -3.244 53 2HG PRO 94 3HG PRO 94 63.314 -19.875 -4.920 54 1HD PRO 94 2HD PRO 94 63.054 -22.139 -3.458 55 2HD PRO 94 3HD PRO 94 63.299 -22.161 -5.215 56 H ASN 95 H ASN 95 68.162 -22.590 -3.205 57 HA ASN 95 HA ASN 95 67.914 -21.887 -0.505 58 1HB ASN 95 2HB ASN 95 69.716 -23.385 -2.097 59 2HB ASN 95 3HB ASN 95 70.680 -22.225 -1.188 60 1HD2 ASN 95 1HD2 ASN 95 71.539 -23.307 0.439 61 2HD2 ASN 95 2HD2 ASN 95 70.681 -24.327 1.538 62 H SER 96 H SER 96 67.824 -19.848 0.188 63 HA SER 96 HA SER 96 70.093 -18.120 -0.188 64 1HB SER 96 2HB SER 96 67.393 -17.230 -1.232 65 2HB SER 96 3HB SER 96 68.847 -16.236 -1.146 66 HG SER 96 HG SER 96 68.889 -16.993 -3.172 67 HA PRO 97 HA PRO 97 67.782 -17.793 3.844 68 1HB PRO 97 2HB PRO 97 69.958 -18.231 5.406 69 2HB PRO 97 3HB PRO 97 68.955 -19.539 4.768 70 1HG PRO 97 2HG PRO 97 71.569 -18.491 3.756 71 2HG PRO 97 3HG PRO 97 71.028 -20.171 3.927 72 1HD PRO 97 2HD PRO 97 71.006 -18.868 1.553 73 2HD PRO 97 3HD PRO 97 69.807 -20.109 1.972 74 H SER 98 H SER 98 67.487 -15.815 4.643 75 HA SER 98 HA SER 98 69.141 -13.630 3.940 76 1HB SER 98 2HB SER 98 67.600 -12.783 6.103 77 2HB SER 98 3HB SER 98 67.173 -12.650 4.397 78 HG SER 98 HG SER 98 65.586 -13.925 4.895 79 H GLU 99 H GLU 99 70.914 -12.854 4.874 80 HA GLU 99 HA GLU 99 71.540 -13.729 7.619 81 1HB GLU 99 2HB GLU 99 73.460 -13.145 5.358 82 2HB GLU 99 3HB GLU 99 73.923 -13.573 6.999 83 1HG GLU 99 2HG GLU 99 73.466 -15.759 6.708 84 2HG GLU 99 3HG GLU 99 72.099 -15.445 5.641 85 H THR 100 H THR 100 70.414 -11.825 8.366 86 HA THR 100 HA THR 100 72.100 -9.420 8.193 87 HB THR 100 HB THR 100 70.224 -8.874 6.835 88 HG1 THR 100 HG1 THR 100 70.116 -7.041 7.870 89 1HG2 THR 100 1HG2 THR 100 68.751 -10.449 8.831 90 2HG2 THR 100 2HG2 THR 100 68.432 -10.214 7.112 91 3HG2 THR 100 3HG2 THR 100 67.919 -8.996 8.280 92 H ARG 101 H ARG 101 72.025 -8.031 10.039 93 HA ARG 101 HA ARG 101 70.578 -8.774 12.391 94 1HB ARG 101 2HB ARG 101 73.241 -9.862 11.964 95 2HB ARG 101 3HB ARG 101 73.154 -8.899 13.433 96 1HG ARG 101 2HG ARG 101 71.015 -10.295 13.908 97 2HG ARG 101 3HG ARG 101 71.710 -11.412 12.730 98 1HD ARG 101 2HD ARG 101 73.281 -10.372 15.071 99 2HD ARG 101 3HD ARG 101 72.261 -11.806 15.191 100 HE ARG 101 HE ARG 101 74.116 -11.902 13.000 101 1HH1 ARG 101 2HH1 ARG 101 73.680 -12.503 16.402 102 2HH1 ARG 101 1HH1 ARG 101 74.947 -13.681 16.490 103 1HH2 ARG 101 2HH2 ARG 101 75.787 -13.451 13.103 104 2HH2 ARG 101 1HH2 ARG 101 76.147 -14.218 14.612 105 H ARG 102 H ARG 102 69.934 -6.624 12.370 106 HA ARG 102 HA ARG 102 71.833 -4.780 13.546 107 1HB ARG 102 2HB ARG 102 71.179 -4.671 10.752 108 2HB ARG 102 3HB ARG 102 70.551 -3.239 11.555 109 1HG ARG 102 2HG ARG 102 72.968 -3.200 12.613 110 2HG ARG 102 3HG ARG 102 73.356 -4.118 11.157 111 1HD ARG 102 2HD ARG 102 72.042 -2.239 9.938 112 2HD ARG 102 3HD ARG 102 72.323 -1.323 11.417 113 HE ARG 102 HE ARG 102 74.728 -2.479 10.424 114 1HH1 ARG 102 2HH1 ARG 102 72.502 0.159 9.963 115 2HH1 ARG 102 1HH1 ARG 102 73.689 1.210 9.264 116 1HH2 ARG 102 2HH2 ARG 102 76.299 -1.104 9.504 117 2HH2 ARG 102 1HH2 ARG 102 75.848 0.490 9.003 118 H GLU 103 H GLU 103 70.560 -4.696 15.365 119 HA GLU 103 HA GLU 103 67.886 -3.507 15.007 120 1HB GLU 103 2HB GLU 103 68.786 -5.792 16.622 121 2HB GLU 103 3HB GLU 103 67.790 -4.638 17.499 122 1HG GLU 103 2HG GLU 103 66.063 -5.776 16.684 123 2HG GLU 103 3HG GLU 103 66.398 -4.939 15.170 124 H ARG 104 H ARG 104 68.482 -1.382 15.253 125 HA ARG 104 HA ARG 104 69.557 -0.656 17.899 126 1HB ARG 104 2HB ARG 104 70.760 -0.174 15.429 127 2HB ARG 104 3HB ARG 104 70.020 1.361 15.864 128 1HG ARG 104 2HG ARG 104 71.262 1.500 17.871 129 2HG ARG 104 3HG ARG 104 71.794 -0.178 17.736 130 1HD ARG 104 2HD ARG 104 72.465 1.727 15.546 131 2HD ARG 104 3HD ARG 104 73.374 1.813 17.054 132 HE ARG 104 HE ARG 104 73.360 -0.846 16.305 133 1HH1 ARG 104 2HH1 ARG 104 74.493 2.173 14.993 134 2HH1 ARG 104 1HH1 ARG 104 75.810 1.454 14.129 135 1HH2 ARG 104 2HH2 ARG 104 75.092 -1.805 15.173 136 2HH2 ARG 104 1HH2 ARG 104 76.150 -0.810 14.232 137 H ALA 105 H ALA 105 67.691 -0.115 18.918 138 HA ALA 105 HA ALA 105 65.977 1.903 17.623 139 1HB ALA 105 1HB ALA 105 64.482 0.980 19.701 140 2HB ALA 105 2HB ALA 105 64.392 0.374 18.046 141 3HB ALA 105 3HB ALA 105 65.380 -0.467 19.241 142 H PHE 106 H PHE 106 67.080 3.735 18.284 143 HA PHE 106 HA PHE 106 66.898 4.312 21.160 144 1HB PHE 106 2HB PHE 106 69.042 5.470 21.100 145 2HB PHE 106 3HB PHE 106 69.248 3.797 20.592 146 HD1 PHE 106 HD1 PHE 106 69.580 3.271 18.195 147 HD2 PHE 106 HD2 PHE 106 69.528 7.272 19.646 148 HE1 PHE 106 HE1 PHE 106 70.663 4.032 16.121 149 HE2 PHE 106 HE2 PHE 106 70.611 8.040 17.574 150 HZ PHE 106 HZ PHE 106 71.180 6.420 15.809 151 H ASP 107 H ASP 107 67.200 6.750 21.539 152 HA ASP 107 HA ASP 107 65.929 8.276 19.368 153 1HB ASP 107 2HB ASP 107 64.495 9.405 20.962 154 2HB ASP 107 3HB ASP 107 64.262 7.665 21.105 155 H ALA 108 H ALA 108 66.170 10.649 19.631 156 HA ALA 108 HA ALA 108 68.721 11.309 20.954 157 1HB ALA 108 1HB ALA 108 68.352 13.182 18.930 158 2HB ALA 108 2HB ALA 108 69.488 11.833 18.933 159 3HB ALA 108 3HB ALA 108 67.892 11.639 18.208 160 H ASN 109 H ASN 109 68.893 13.286 21.999 161 HA ASN 109 HA ASN 109 66.397 14.394 22.929 162 1HB ASN 109 2HB ASN 109 69.151 15.425 23.593 163 2HB ASN 109 3HB ASN 109 67.681 15.547 24.554 164 1HD2 ASN 109 1HD2 ASN 109 70.522 13.881 24.103 165 2HD2 ASN 109 2HD2 ASN 109 70.164 12.480 25.049 166 H THR 110 H THR 110 69.270 15.657 21.249 167 HA THR 110 HA THR 110 69.585 17.484 19.926 168 HB THR 110 HB THR 110 66.832 17.949 19.127 169 HG1 THR 110 HG1 THR 110 67.850 15.299 18.846 170 1HG2 THR 110 1HG2 THR 110 69.291 16.940 17.694 171 2HG2 THR 110 2HG2 THR 110 68.719 18.607 17.767 172 3HG2 THR 110 3HG2 THR 110 67.781 17.389 16.902 173 H MET 111 H MET 111 68.469 19.766 19.379 174 HA MET 111 HA MET 111 68.263 21.084 21.933 175 1HB MET 111 2HB MET 111 68.559 21.931 19.099 176 2HB MET 111 3HB MET 111 67.849 23.089 20.215 177 1HG MET 111 2HG MET 111 70.032 23.661 20.418 178 2HG MET 111 3HG MET 111 69.936 22.436 21.681 179 1HE MET 111 1HE MET 111 72.077 21.571 22.007 180 2HE MET 111 2HE MET 111 73.251 21.044 20.800 181 3HE MET 111 3HE MET 111 72.917 22.763 21.014 182 H THR 112 H THR 112 66.462 21.678 22.950 183 HA THR 112 HA THR 112 63.897 21.069 21.756 184 HB THR 112 HB THR 112 63.047 21.936 24.029 185 HG1 THR 112 HG1 THR 112 64.511 22.471 25.493 186 1HG2 THR 112 1HG2 THR 112 62.889 19.696 24.118 187 2HG2 THR 112 2HG2 THR 112 64.367 19.776 25.076 188 3HG2 THR 112 3HG2 THR 112 64.456 19.464 23.343 189 H SER 113 H SER 113 62.845 22.488 20.545 190 HA SER 113 HA SER 113 63.352 25.353 20.929 191 1HB SER 113 2HB SER 113 62.066 25.474 18.683 192 2HB SER 113 3HB SER 113 63.706 24.824 18.669 193 HG SER 113 HG SER 113 62.868 23.094 17.850 194 H ALA 114 H ALA 114 62.006 25.375 22.855 195 HA ALA 114 HA ALA 114 59.402 26.318 22.332 196 1HB ALA 114 1HB ALA 114 58.699 24.162 24.000 197 2HB ALA 114 2HB ALA 114 58.173 24.472 22.345 198 3HB ALA 114 3HB ALA 114 59.602 23.484 22.645 199 H GLU 115 H GLU 115 58.172 26.720 24.403 200 HA GLU 115 HA GLU 115 60.096 27.347 26.537 201 1HB GLU 115 2HB GLU 115 59.247 29.407 26.323 202 2HB GLU 115 3HB GLU 115 57.939 28.834 25.298 203 1HG GLU 115 2HG GLU 115 56.578 28.325 27.183 204 2HG GLU 115 3HG GLU 115 57.916 28.614 28.295 205 H LYS 116 H LYS 116 57.071 25.772 25.812 206 HA LYS 116 HA LYS 116 56.008 25.421 28.348 207 1HB LYS 116 2HB LYS 116 55.655 24.255 25.732 208 2HB LYS 116 3HB LYS 116 55.548 23.011 26.972 209 1HG LYS 116 2HG LYS 116 53.715 24.023 27.999 210 2HG LYS 116 3HG LYS 116 54.004 25.568 27.197 211 1HD LYS 116 2HD LYS 116 53.369 23.116 25.598 212 2HD LYS 116 3HD LYS 116 52.078 24.051 26.359 213 1HE LYS 116 2HE LYS 116 53.891 25.817 25.014 214 2HE LYS 116 3HE LYS 116 53.369 24.550 23.906 215 1HZ LYS 116 1HZ LYS 116 51.783 26.225 23.694 216 2HZ LYS 116 2HZ LYS 116 51.705 26.513 25.359 217 3HZ LYS 116 3HZ LYS 116 51.039 25.098 24.714 218 H VAL 117 H VAL 117 55.996 23.500 29.719 219 HA VAL 117 HA VAL 117 58.701 22.462 30.053 220 HB VAL 117 HB VAL 117 56.297 22.203 31.865 221 1HG1 VAL 117 1HG1 VAL 117 57.468 20.741 33.054 222 2HG1 VAL 117 2HG1 VAL 117 58.736 20.777 31.828 223 3HG1 VAL 117 3HG1 VAL 117 58.799 21.889 33.196 224 1HG2 VAL 117 1HG2 VAL 117 57.936 23.782 33.232 225 2HG2 VAL 117 2HG2 VAL 117 58.448 24.233 31.607 226 3HG2 VAL 117 3HG2 VAL 117 56.762 24.423 32.084 227 H LEU 118 H LEU 118 58.847 20.894 28.451 228 HA LEU 118 HA LEU 118 56.881 18.742 28.413 229 1HB LEU 118 2HB LEU 118 58.778 19.867 26.550 230 2HB LEU 118 3HB LEU 118 58.954 18.115 26.653 231 HG LEU 118 HG LEU 118 56.331 19.488 26.089 232 1HD1 LEU 118 1HD1 LEU 118 57.847 20.067 24.310 233 2HD1 LEU 118 2HD1 LEU 118 56.720 18.838 23.736 234 3HD1 LEU 118 3HD1 LEU 118 58.372 18.390 24.161 235 1HD2 LEU 118 1HD2 LEU 118 56.682 16.826 25.054 236 2HD2 LEU 118 2HD2 LEU 118 55.446 17.452 26.145 237 3HD2 LEU 118 3HD2 LEU 118 56.976 16.860 26.793 238 H CYS 119 H CYS 119 57.304 16.548 28.960 239 HA CYS 119 HA CYS 119 59.295 16.216 30.917 240 1HB CYS 119 2HB CYS 119 57.137 14.991 30.912 241 2HB CYS 119 3HB CYS 119 57.644 14.106 29.487 242 H GLN 120 H GLN 120 61.382 15.941 30.517 243 HA GLN 120 HA GLN 120 62.446 15.480 27.921 244 1HB GLN 120 2HB GLN 120 63.542 16.789 29.792 245 2HB GLN 120 3HB GLN 120 63.933 15.245 30.537 246 1HG GLN 120 2HG GLN 120 65.545 14.759 29.023 247 2HG GLN 120 3HG GLN 120 64.726 15.609 27.712 248 1HE2 GLN 120 1HE2 GLN 120 66.860 15.910 30.438 249 2HE2 GLN 120 2HE2 GLN 120 67.443 17.492 30.066 250 H PHE 121 H PHE 121 61.789 13.448 30.693 251 HA PHE 121 HA PHE 121 63.276 11.194 29.762 252 1HB PHE 121 2HB PHE 121 62.252 11.851 32.165 253 2HB PHE 121 3HB PHE 121 60.987 10.765 31.600 254 HD1 PHE 121 HD1 PHE 121 64.664 10.981 32.082 255 HD2 PHE 121 HD2 PHE 121 61.238 8.470 31.818 256 HE1 PHE 121 HE1 PHE 121 66.032 9.050 32.756 257 HE2 PHE 121 HE2 PHE 121 62.599 6.535 32.493 258 HZ PHE 121 HZ PHE 121 65.000 6.824 32.963 259 H CYS 122 H CYS 122 60.068 12.495 29.092 260 HA CYS 122 HA CYS 122 58.834 10.115 28.344 261 1HB CYS 122 2HB CYS 122 58.336 13.011 27.965 262 2HB CYS 122 3HB CYS 122 57.629 11.973 26.741 263 H ASP 123 H ASP 123 58.389 9.434 26.131 264 HA ASP 123 HA ASP 123 60.270 10.289 24.071 265 1HB ASP 123 2HB ASP 123 60.666 7.930 25.604 266 2HB ASP 123 3HB ASP 123 60.172 7.430 23.989 267 H GLN 124 H GLN 124 57.338 10.385 24.571 268 HA GLN 124 HA GLN 124 56.062 8.538 22.829 269 1HB GLN 124 2HB GLN 124 55.272 11.016 24.272 270 2HB GLN 124 3HB GLN 124 54.269 10.513 22.918 271 1HG GLN 124 2HG GLN 124 53.915 8.347 23.961 272 2HG GLN 124 3HG GLN 124 54.956 8.815 25.307 273 1HE2 GLN 124 1HE2 GLN 124 52.640 8.021 26.108 274 2HE2 GLN 124 2HE2 GLN 124 51.577 9.320 26.518 275 H ASP 125 H ASP 125 57.024 11.940 22.462 276 HA ASP 125 HA ASP 125 57.447 13.211 20.623 277 1HB ASP 125 2HB ASP 125 58.891 11.207 20.067 278 2HB ASP 125 3HB ASP 125 57.565 10.628 19.062 279 HA PRO 126 HA PRO 126 56.419 14.822 20.846 280 1HB PRO 126 2HB PRO 126 54.209 15.982 21.911 281 2HB PRO 126 3HB PRO 126 54.811 16.367 20.294 282 1HG PRO 126 2HG PRO 126 52.586 14.532 21.102 283 2HG PRO 126 3HG PRO 126 52.643 15.706 19.773 284 1HD PRO 126 2HD PRO 126 53.022 13.053 19.389 285 2HD PRO 126 3HD PRO 126 53.831 14.286 18.400 286 H ALA 127 H ALA 127 56.754 15.101 23.087 287 HA ALA 127 HA ALA 127 56.166 12.762 24.659 288 1HB ALA 127 1HB ALA 127 57.983 15.048 24.831 289 2HB ALA 127 2HB ALA 127 57.359 14.502 26.389 290 3HB ALA 127 3HB ALA 127 58.212 13.373 25.334 291 H GLN 128 H GLN 128 55.688 13.369 27.133 292 HA GLN 128 HA GLN 128 53.107 14.759 27.063 293 1HB GLN 128 2HB GLN 128 53.727 12.298 28.040 294 2HB GLN 128 3HB GLN 128 53.864 13.275 29.495 295 1HG GLN 128 2HG GLN 128 51.546 14.199 28.769 296 2HG GLN 128 3HG GLN 128 51.473 12.727 27.803 297 1HE2 GLN 128 1HE2 GLN 128 49.839 11.782 28.954 298 2HE2 GLN 128 2HE2 GLN 128 50.023 11.223 30.577 299 H ASP 129 H ASP 129 52.637 16.467 28.372 300 HA ASP 129 HA ASP 129 54.644 18.192 29.187 301 1HB ASP 129 2HB ASP 129 51.738 18.021 29.514 302 2HB ASP 129 3HB ASP 129 52.541 18.874 30.829 303 H ALA 130 H ALA 130 55.739 18.566 31.056 304 HA ALA 130 HA ALA 130 55.640 16.441 33.058 305 1HB ALA 130 1HB ALA 130 57.689 18.233 32.027 306 2HB ALA 130 2HB ALA 130 57.693 18.120 33.788 307 3HB ALA 130 3HB ALA 130 57.847 16.660 32.810 308 H VAL 131 H VAL 131 54.348 16.728 34.745 309 HA VAL 131 HA VAL 131 53.802 19.449 35.696 310 HB VAL 131 HB VAL 131 51.977 18.355 37.026 311 1HG1 VAL 131 1HG1 VAL 131 50.534 18.685 35.328 312 2HG1 VAL 131 2HG1 VAL 131 51.978 19.216 34.464 313 3HG1 VAL 131 3HG1 VAL 131 51.379 17.570 34.254 314 1HG2 VAL 131 1HG2 VAL 131 51.308 16.095 36.482 315 2HG2 VAL 131 2HG2 VAL 131 52.640 15.946 35.334 316 3HG2 VAL 131 3HG2 VAL 131 52.974 16.095 37.059 317 H LYS 132 H LYS 132 56.258 17.791 36.244 318 HA LYS 132 HA LYS 132 56.275 18.234 39.128 319 1HB LYS 132 2HB LYS 132 57.189 15.631 37.888 320 2HB LYS 132 3HB LYS 132 57.300 16.063 39.590 321 1HG LYS 132 2HG LYS 132 54.708 15.828 38.078 322 2HG LYS 132 3HG LYS 132 55.425 14.530 39.036 323 1HD LYS 132 2HD LYS 132 55.308 16.990 40.543 324 2HD LYS 132 3HD LYS 132 53.712 16.544 39.933 325 1HE LYS 132 2HE LYS 132 55.387 14.423 41.172 326 2HE LYS 132 3HE LYS 132 54.642 15.617 42.234 327 1HZ LYS 132 1HZ LYS 132 53.042 13.991 42.124 328 2HZ LYS 132 2HZ LYS 132 53.355 13.616 40.505 329 3HZ LYS 132 3HZ LYS 132 52.523 15.034 40.898 330 H THR 133 H THR 133 58.534 18.053 40.015 331 HA THR 133 HA THR 133 60.726 18.259 38.172 332 HB THR 133 HB THR 133 60.643 20.723 39.760 333 HG1 THR 133 HG1 THR 133 59.150 21.684 38.173 334 1HG2 THR 133 1HG2 THR 133 61.970 21.457 38.103 335 2HG2 THR 133 2HG2 THR 133 60.875 20.880 36.848 336 3HG2 THR 133 3HG2 THR 133 62.025 19.771 37.591 337 H CYS 134 H CYS 134 62.077 16.860 39.292 338 HA CYS 134 HA CYS 134 62.177 17.133 42.167 339 1HB CYS 134 2HB CYS 134 62.051 14.880 41.221 340 2HB CYS 134 3HB CYS 134 63.516 15.151 40.297 341 H VAL 135 H VAL 135 63.490 18.650 42.929 342 HA VAL 135 HA VAL 135 65.473 20.015 41.497 343 HB VAL 135 HB VAL 135 66.232 20.862 43.717 344 1HG1 VAL 135 1HG1 VAL 135 63.969 21.872 44.322 345 2HG1 VAL 135 2HG1 VAL 135 64.553 22.131 42.676 346 3HG1 VAL 135 3HG1 VAL 135 63.317 20.913 42.993 347 1HG2 VAL 135 1HG2 VAL 135 64.772 20.228 45.675 348 2HG2 VAL 135 2HG2 VAL 135 64.198 18.872 44.704 349 3HG2 VAL 135 3HG2 VAL 135 65.904 18.989 45.134 350 H THR 136 H THR 136 65.697 17.305 43.760 351 HA THR 136 HA THR 136 68.496 17.176 43.921 352 HB THR 136 HB THR 136 66.414 15.010 44.238 353 HG1 THR 136 HG1 THR 136 66.479 16.760 45.793 354 1HG2 THR 136 1HG2 THR 136 68.376 13.915 45.545 355 2HG2 THR 136 2HG2 THR 136 69.394 14.928 44.522 356 3HG2 THR 136 3HG2 THR 136 68.309 13.746 43.792 357 H CYS 137 H CYS 137 66.198 15.933 41.475 358 HA CYS 137 HA CYS 137 68.288 14.398 40.226 359 1HB CYS 137 2HB CYS 137 65.359 14.837 39.644 360 2HB CYS 137 3HB CYS 137 66.409 14.088 38.457 361 H GLU 138 H GLU 138 66.909 17.536 40.192 362 HA GLU 138 HA GLU 138 67.352 19.442 39.032 363 1HB GLU 138 2HB GLU 138 69.760 18.137 39.177 364 2HB GLU 138 3HB GLU 138 69.579 18.374 37.444 365 1HG GLU 138 2HG GLU 138 70.243 20.468 37.652 366 2HG GLU 138 3HG GLU 138 68.884 20.802 38.725 367 H VAL 139 H VAL 139 65.561 17.462 37.952 368 HA VAL 139 HA VAL 139 65.477 18.431 35.214 369 HB VAL 139 HB VAL 139 65.505 15.473 35.829 370 1HG1 VAL 139 1HG1 VAL 139 65.004 16.949 33.248 371 2HG1 VAL 139 2HG1 VAL 139 65.287 15.211 33.371 372 3HG1 VAL 139 3HG1 VAL 139 63.866 15.930 34.128 373 1HG2 VAL 139 1HG2 VAL 139 67.415 17.206 34.264 374 2HG2 VAL 139 2HG2 VAL 139 67.737 16.413 35.807 375 3HG2 VAL 139 3HG2 VAL 139 67.484 15.446 34.354 376 H SER 140 H SER 140 63.423 18.471 34.341 377 HA SER 140 HA SER 140 61.266 18.073 36.265 378 1HB SER 140 2HB SER 140 60.159 19.740 35.190 379 2HB SER 140 3HB SER 140 61.755 20.117 34.544 380 HG SER 140 HG SER 140 60.917 19.741 32.665 381 H TYR 141 H TYR 141 59.827 16.472 36.152 382 HA TYR 141 HA TYR 141 59.671 14.904 33.664 383 1HB TYR 141 2HB TYR 141 59.572 13.787 36.473 384 2HB TYR 141 3HB TYR 141 59.462 12.862 34.979 385 HD1 TYR 141 HD1 TYR 141 61.603 13.752 37.550 386 HD2 TYR 141 HD2 TYR 141 61.534 13.370 33.313 387 HE1 TYR 141 HE1 TYR 141 64.050 13.495 37.540 388 HE2 TYR 141 HE2 TYR 141 63.979 13.111 33.291 389 HH TYR 141 HH TYR 141 65.756 12.221 35.546 390 H CYS 142 H CYS 142 57.600 13.324 33.803 391 HA CYS 142 HA CYS 142 55.426 15.121 34.541 392 1HB CYS 142 2HB CYS 142 54.053 13.892 32.975 393 2HB CYS 142 3HB CYS 142 55.536 14.382 32.180 394 H ASP 143 H ASP 143 53.498 12.991 34.549 395 HA ASP 143 HA ASP 143 53.823 12.058 37.256 396 1HB ASP 143 2HB ASP 143 51.649 12.840 35.964 397 2HB ASP 143 3HB ASP 143 51.574 11.137 35.520 398 H GLU 144 H GLU 144 52.953 10.330 34.255 399 HA GLU 144 HA GLU 144 53.288 7.760 35.064 400 1HB GLU 144 2HB GLU 144 54.015 9.014 32.419 401 2HB GLU 144 3HB GLU 144 54.046 7.277 32.688 402 1HG GLU 144 2HG GLU 144 51.761 7.119 32.846 403 2HG GLU 144 3HG GLU 144 51.571 8.804 33.330 404 H CYS 145 H CYS 145 55.962 9.695 33.507 405 HA CYS 145 HA CYS 145 57.929 7.853 33.859 406 1HB CYS 145 2HB CYS 145 58.018 10.876 33.848 407 2HB CYS 145 3HB CYS 145 59.476 9.912 33.984 408 H LEU 146 H LEU 146 57.043 10.545 36.022 409 HA LEU 146 HA LEU 146 58.752 10.081 38.127 410 1HB LEU 146 2HB LEU 146 57.339 12.039 38.004 411 2HB LEU 146 3HB LEU 146 55.897 11.046 38.207 412 HG LEU 146 HG LEU 146 57.185 10.428 40.480 413 1HD1 LEU 146 1HD1 LEU 146 59.073 11.907 39.977 414 2HD1 LEU 146 2HD1 LEU 146 58.203 12.419 41.422 415 3HD1 LEU 146 3HD1 LEU 146 57.970 13.282 39.902 416 1HD2 LEU 146 1HD2 LEU 146 55.332 12.706 39.851 417 2HD2 LEU 146 2HD2 LEU 146 55.820 12.328 41.503 418 3HD2 LEU 146 3HD2 LEU 146 54.949 11.130 40.545 419 H LYS 147 H LYS 147 55.891 8.322 37.224 420 HA LYS 147 HA LYS 147 55.508 6.960 39.690 421 1HB LYS 147 2HB LYS 147 54.137 7.159 37.278 422 2HB LYS 147 3HB LYS 147 54.632 5.474 37.348 423 1HG LYS 147 2HG LYS 147 53.613 5.334 39.611 424 2HG LYS 147 3HG LYS 147 52.999 6.974 39.383 425 1HD LYS 147 2HD LYS 147 51.971 6.038 37.206 426 2HD LYS 147 3HD LYS 147 52.250 4.456 37.937 427 1HE LYS 147 2HE LYS 147 50.023 5.093 38.471 428 2HE LYS 147 3HE LYS 147 50.979 5.266 39.942 429 1HZ LYS 147 1HZ LYS 147 50.707 7.482 39.961 430 2HZ LYS 147 2HZ LYS 147 49.349 7.151 39.010 431 3HZ LYS 147 3HZ LYS 147 50.796 7.635 38.280 432 H ALA 148 H ALA 148 57.273 6.211 36.723 433 HA ALA 148 HA ALA 148 58.084 3.609 37.662 434 1HB ALA 148 1HB ALA 148 59.408 4.989 35.372 435 2HB ALA 148 2HB ALA 148 59.018 3.282 35.583 436 3HB ALA 148 3HB ALA 148 57.740 4.440 35.213 437 H THR 149 H THR 149 59.756 6.687 37.006 438 HA THR 149 HA THR 149 62.256 5.831 38.028 439 HB THR 149 HB THR 149 61.278 8.683 37.820 440 HG1 THR 149 HG1 THR 149 61.441 8.468 35.725 441 1HG2 THR 149 1HG2 THR 149 63.691 7.572 38.758 442 2HG2 THR 149 2HG2 THR 149 63.340 9.269 38.425 443 3HG2 THR 149 3HG2 THR 149 64.038 8.250 37.166 444 H HIS 150 H HIS 150 59.642 7.794 39.425 445 HA HIS 150 HA HIS 150 60.894 7.440 42.068 446 1HB HIS 150 2HB HIS 150 59.058 9.612 41.046 447 2HB HIS 150 3HB HIS 150 59.508 9.431 42.739 448 HD2 HIS 150 HD2 HIS 150 60.654 12.090 42.194 449 HE1 HIS 150 HE1 HIS 150 64.107 10.392 40.406 450 HA PRO 151 HA PRO 151 57.040 4.872 42.085 451 1HB PRO 151 2HB PRO 151 58.159 2.798 43.432 452 2HB PRO 151 3HB PRO 151 58.247 2.961 41.675 453 1HG PRO 151 2HG PRO 151 60.294 3.653 43.747 454 2HG PRO 151 3HG PRO 151 60.513 2.842 42.185 455 1HD PRO 151 2HD PRO 151 61.068 5.466 42.554 456 2HD PRO 151 3HD PRO 151 60.476 4.822 41.008 457 H ASN 152 H ASN 152 56.049 3.760 44.077 458 HA ASN 152 HA ASN 152 55.218 3.917 46.188 459 1HB ASN 152 2HB ASN 152 58.026 4.040 46.475 460 2HB ASN 152 3HB ASN 152 57.360 5.266 47.549 461 1HD2 ASN 152 1HD2 ASN 152 58.706 2.823 48.252 462 2HD2 ASN 152 2HD2 ASN 152 57.592 1.893 49.191 463 H LYS 153 H LYS 153 55.363 5.761 48.175 464 HA LYS 153 HA LYS 153 55.315 8.453 47.269 465 1HB LYS 153 2HB LYS 153 52.843 8.796 47.621 466 2HB LYS 153 3HB LYS 153 53.274 7.904 46.168 467 1HG LYS 153 2HG LYS 153 52.753 5.801 47.326 468 2HG LYS 153 3HG LYS 153 52.271 6.724 48.752 469 1HD LYS 153 2HD LYS 153 50.284 7.270 47.863 470 2HD LYS 153 3HD LYS 153 50.983 7.607 46.278 471 1HE LYS 153 2HE LYS 153 51.080 5.187 45.834 472 2HE LYS 153 3HE LYS 153 50.326 4.883 47.399 473 1HZ LYS 153 1HZ LYS 153 48.673 4.808 45.681 474 2HZ LYS 153 2HZ LYS 153 49.115 6.338 45.110 475 3HZ LYS 153 3HZ LYS 153 48.399 6.178 46.635 476 H LYS 154 H LYS 154 54.363 9.925 48.975 477 HA LYS 154 HA LYS 154 54.275 10.658 51.127 478 1HB LYS 154 2HB LYS 154 53.885 7.792 51.977 479 2HB LYS 154 3HB LYS 154 53.351 9.249 52.806 480 1HG LYS 154 2HG LYS 154 52.125 9.410 50.334 481 2HG LYS 154 3HG LYS 154 52.036 7.696 50.747 482 1HD LYS 154 2HD LYS 154 50.152 8.402 51.808 483 2HD LYS 154 3HD LYS 154 51.313 8.716 53.101 484 1HE LYS 154 2HE LYS 154 51.391 11.008 51.544 485 2HE LYS 154 3HE LYS 154 49.684 10.567 51.569 486 1HZ LYS 154 1HZ LYS 154 49.503 11.086 53.723 487 2HZ LYS 154 2HZ LYS 154 50.927 11.968 53.493 488 3HZ LYS 154 3HZ LYS 154 50.997 10.406 54.135 489 HA PRO 155 HA PRO 155 55.028 11.942 52.325 490 1HB PRO 155 2HB PRO 155 57.074 13.715 52.122 491 2HB PRO 155 3HB PRO 155 56.643 12.913 53.638 492 1HG PRO 155 2HG PRO 155 58.815 12.242 51.692 493 2HG PRO 155 3HG PRO 155 58.873 12.278 53.464 494 1HD PRO 155 2HD PRO 155 58.615 9.976 52.062 495 2HD PRO 155 3HD PRO 155 57.884 10.206 53.664 496 H PHE 156 H PHE 156 57.822 11.738 50.111 497 HA PHE 156 HA PHE 156 56.057 12.577 47.921 498 1HB PHE 156 2HB PHE 156 58.579 13.887 48.833 499 2HB PHE 156 3HB PHE 156 58.246 13.832 47.105 500 HD1 PHE 156 HD1 PHE 156 57.415 15.362 50.265 501 HD2 PHE 156 HD2 PHE 156 56.195 14.908 46.213 502 HE1 PHE 156 HE1 PHE 156 55.948 17.323 50.492 503 HE2 PHE 156 HE2 PHE 156 54.727 16.870 46.432 504 HZ PHE 156 HZ PHE 156 54.601 18.081 48.573 505 H THR 157 H THR 157 56.434 10.031 48.082 506 HA THR 157 HA THR 157 57.285 8.146 47.120 507 HB THR 157 HB THR 157 57.701 8.224 44.818 508 HG1 THR 157 HG1 THR 157 59.433 9.634 44.719 509 1HG2 THR 157 1HG2 THR 157 56.088 10.709 45.412 510 2HG2 THR 157 2HG2 THR 157 55.461 9.061 45.377 511 3HG2 THR 157 3HG2 THR 157 56.077 9.802 43.900 512 H GLY 158 H GLY 158 59.054 9.741 48.887 513 1HA GLY 158 2HA GLY 158 61.162 9.086 49.714 514 2HA GLY 158 3HA GLY 158 61.542 8.405 48.139 515 H HIS 159 H HIS 159 61.172 10.456 46.425 516 HA HIS 159 HA HIS 159 63.418 12.159 47.066 517 1HB HIS 159 2HB HIS 159 62.082 11.252 44.667 518 2HB HIS 159 3HB HIS 159 62.311 12.998 44.629 519 HD2 HIS 159 HD2 HIS 159 65.326 12.800 46.197 520 HE1 HIS 159 HE1 HIS 159 66.349 10.755 42.623 521 H ARG 160 H ARG 160 63.127 14.543 46.180 522 HA ARG 160 HA ARG 160 60.771 15.636 47.566 523 1HB ARG 160 2HB ARG 160 63.352 17.089 46.991 524 2HB ARG 160 3HB ARG 160 62.057 17.588 48.070 525 1HG ARG 160 2HG ARG 160 62.572 15.782 49.587 526 2HG ARG 160 3HG ARG 160 63.799 15.168 48.478 527 1HD ARG 160 2HD ARG 160 65.155 17.107 48.794 528 2HD ARG 160 3HD ARG 160 63.876 17.923 49.691 529 HE ARG 160 HE ARG 160 64.567 16.830 51.570 530 1HH1 ARG 160 2HH1 ARG 160 65.789 15.140 48.783 531 2HH1 ARG 160 1HH1 ARG 160 66.744 14.031 49.711 532 1HH2 ARG 160 2HH2 ARG 160 65.819 15.377 52.803 533 2HH2 ARG 160 1HH2 ARG 160 66.760 14.167 51.998 534 H LEU 161 H LEU 161 60.768 18.198 46.669 535 HA LEU 161 HA LEU 161 60.793 18.198 43.766 536 1HB LEU 161 2HB LEU 161 58.446 17.571 45.155 537 2HB LEU 161 3HB LEU 161 58.260 19.250 44.653 538 HG LEU 161 HG LEU 161 59.191 17.878 42.391 539 1HD1 LEU 161 1HD1 LEU 161 58.584 15.781 43.520 540 2HD1 LEU 161 2HD1 LEU 161 57.583 16.090 42.101 541 3HD1 LEU 161 3HD1 LEU 161 56.937 16.378 43.717 542 1HD2 LEU 161 1HD2 LEU 161 57.391 18.851 41.412 543 2HD2 LEU 161 2HD2 LEU 161 57.383 19.764 42.921 544 3HD2 LEU 161 3HD2 LEU 161 56.293 18.392 42.714 545 H ILE 162 H ILE 162 59.415 20.476 43.243 546 HA ILE 162 HA ILE 162 61.195 22.508 43.791 547 HB ILE 162 HB ILE 162 58.240 22.797 43.230 548 1HG1 ILE 162 2HG1 ILE 162 59.477 21.490 41.531 549 2HG1 ILE 162 3HG1 ILE 162 58.903 23.028 40.896 550 1HG2 ILE 162 1HG2 ILE 162 60.290 24.742 43.781 551 2HG2 ILE 162 2HG2 ILE 162 59.649 24.953 42.153 552 3HG2 ILE 162 3HG2 ILE 162 58.559 24.975 43.538 553 1HD1 ILE 162 1HD1 ILE 162 61.168 23.960 41.261 554 2HD1 ILE 162 2HD1 ILE 162 61.707 22.351 41.739 555 3HD1 ILE 162 3HD1 ILE 162 61.120 22.632 40.101 556 H GLU 163 H GLU 163 61.626 23.745 45.499 557 HA GLU 163 HA GLU 163 60.607 23.315 48.029 558 1HB GLU 163 2HB GLU 163 62.188 25.473 46.748 559 2HB GLU 163 3HB GLU 163 61.431 25.862 48.287 560 1HG GLU 163 2HG GLU 163 62.561 23.429 48.801 561 2HG GLU 163 3HG GLU 163 63.724 24.159 47.697 562 HA PRO 164 HA PRO 164 56.768 25.405 48.379 563 1HB PRO 164 2HB PRO 164 56.923 26.507 50.855 564 2HB PRO 164 3HB PRO 164 56.730 24.771 50.587 565 1HG PRO 164 2HG PRO 164 59.210 26.328 51.212 566 2HG PRO 164 3HG PRO 164 58.671 24.771 51.868 567 1HD PRO 164 2HD PRO 164 60.541 24.964 49.918 568 2HD PRO 164 3HD PRO 164 59.411 23.597 50.027 Start of MODEL 6 1 1H GLN 87 H GLN 87 42.388 -19.910 -29.328 2 HA GLN 87 HA GLN 87 42.701 -20.608 -27.048 3 1HB GLN 87 2HB GLN 87 45.246 -20.237 -27.455 4 2HB GLN 87 3HB GLN 87 44.941 -18.628 -26.813 5 1HG GLN 87 2HG GLN 87 43.762 -20.076 -24.905 6 2HG GLN 87 3HG GLN 87 44.963 -21.245 -25.450 7 1HE2 GLN 87 1HE2 GLN 87 44.846 -17.745 -24.849 8 2HE2 GLN 87 2HE2 GLN 87 46.295 -17.686 -23.911 9 H LYS 88 H LYS 88 40.846 -19.706 -26.392 10 HA LYS 88 HA LYS 88 40.362 -16.882 -26.523 11 1HB LYS 88 2HB LYS 88 38.827 -19.222 -25.422 12 2HB LYS 88 3HB LYS 88 38.281 -17.571 -25.161 13 1HG LYS 88 2HG LYS 88 37.161 -17.848 -27.069 14 2HG LYS 88 3HG LYS 88 38.723 -17.592 -27.851 15 1HD LYS 88 2HD LYS 88 38.779 -20.269 -27.210 16 2HD LYS 88 3HD LYS 88 37.093 -20.004 -27.662 17 1HE LYS 88 2HE LYS 88 38.132 -18.739 -29.692 18 2HE LYS 88 3HE LYS 88 39.576 -19.672 -29.296 19 1HZ LYS 88 1HZ LYS 88 38.612 -21.608 -29.923 20 2HZ LYS 88 2HZ LYS 88 37.734 -20.572 -30.934 21 3HZ LYS 88 3HZ LYS 88 37.050 -21.125 -29.488 22 H ALA 89 H ALA 89 40.132 -15.433 -24.810 23 HA ALA 89 HA ALA 89 40.627 -16.213 -22.096 24 1HB ALA 89 1HB ALA 89 42.846 -16.077 -22.114 25 2HB ALA 89 2HB ALA 89 42.860 -15.426 -23.754 26 3HB ALA 89 3HB ALA 89 42.661 -14.342 -22.376 27 H SER 90 H SER 90 40.365 -14.471 -20.600 28 HA SER 90 HA SER 90 38.874 -12.222 -21.760 29 1HB SER 90 2HB SER 90 38.532 -12.237 -18.963 30 2HB SER 90 3HB SER 90 37.360 -12.725 -20.186 31 HG SER 90 HG SER 90 38.835 -14.256 -18.470 32 H VAL 91 H VAL 91 40.417 -10.715 -22.202 33 HA VAL 91 HA VAL 91 42.500 -10.084 -20.307 34 HB VAL 91 HB VAL 91 43.117 -8.301 -21.914 35 1HG1 VAL 91 1HG1 VAL 91 42.754 -11.118 -22.881 36 2HG1 VAL 91 2HG1 VAL 91 43.574 -9.900 -23.860 37 3HG1 VAL 91 3HG1 VAL 91 44.214 -10.336 -22.275 38 1HG2 VAL 91 1HG2 VAL 91 40.570 -8.227 -22.669 39 2HG2 VAL 91 2HG2 VAL 91 41.880 -7.727 -23.739 40 3HG2 VAL 91 3HG2 VAL 91 41.172 -9.334 -23.902 41 H SER 92 H SER 92 42.786 -8.066 -19.268 42 HA SER 92 HA SER 92 40.866 -5.991 -19.318 43 1HB SER 92 2HB SER 92 39.650 -7.900 -18.086 44 2HB SER 92 3HB SER 92 40.765 -7.579 -16.759 45 HG SER 92 HG SER 92 38.657 -6.424 -16.784 46 H GLY 93 H GLY 93 41.145 -4.638 -17.123 47 1HA GLY 93 2HA GLY 93 43.462 -4.745 -15.616 48 2HA GLY 93 3HA GLY 93 43.891 -3.879 -17.084 49 HA PRO 94 HA PRO 94 40.513 -1.215 -14.858 50 1HB PRO 94 2HB PRO 94 39.884 -1.948 -12.321 51 2HB PRO 94 3HB PRO 94 39.017 -2.551 -13.739 52 1HG PRO 94 2HG PRO 94 41.183 -3.864 -12.144 53 2HG PRO 94 3HG PRO 94 39.687 -4.565 -12.787 54 1HD PRO 94 2HD PRO 94 42.089 -4.897 -13.994 55 2HD PRO 94 3HD PRO 94 40.566 -4.815 -14.903 56 H ASN 95 H ASN 95 41.004 0.640 -13.743 57 HA ASN 95 HA ASN 95 43.109 0.584 -11.727 58 1HB ASN 95 2HB ASN 95 43.699 1.224 -14.384 59 2HB ASN 95 3HB ASN 95 43.584 2.778 -13.564 60 1HD2 ASN 95 1HD2 ASN 95 45.745 3.229 -13.655 61 2HD2 ASN 95 2HD2 ASN 95 46.933 2.357 -12.753 62 H SER 96 H SER 96 43.538 3.151 -11.230 63 HA SER 96 HA SER 96 40.998 4.577 -11.150 64 1HB SER 96 2HB SER 96 41.974 3.077 -8.925 65 2HB SER 96 3HB SER 96 42.091 4.792 -8.529 66 HG SER 96 HG SER 96 39.919 3.247 -8.596 67 HA PRO 97 HA PRO 97 43.480 8.177 -11.503 68 1HB PRO 97 2HB PRO 97 42.109 9.983 -10.010 69 2HB PRO 97 3HB PRO 97 41.534 9.397 -11.575 70 1HG PRO 97 2HG PRO 97 40.738 8.536 -8.820 71 2HG PRO 97 3HG PRO 97 39.716 8.836 -10.238 72 1HD PRO 97 2HD PRO 97 40.436 6.343 -9.460 73 2HD PRO 97 3HD PRO 97 40.179 6.776 -11.163 74 H SER 98 H SER 98 45.398 8.565 -10.613 75 HA SER 98 HA SER 98 45.682 8.364 -7.698 76 1HB SER 98 2HB SER 98 48.234 8.457 -8.558 77 2HB SER 98 3HB SER 98 47.316 6.957 -8.445 78 HG SER 98 HG SER 98 47.632 6.783 -10.505 79 H GLU 99 H GLU 99 45.524 10.262 -6.702 80 HA GLU 99 HA GLU 99 47.302 12.407 -7.385 81 1HB GLU 99 2HB GLU 99 45.349 12.727 -8.946 82 2HB GLU 99 3HB GLU 99 44.342 12.983 -7.529 83 1HG GLU 99 2HG GLU 99 45.007 15.088 -7.317 84 2HG GLU 99 3HG GLU 99 46.706 14.651 -7.487 85 H THR 100 H THR 100 48.052 12.134 -5.288 86 HA THR 100 HA THR 100 46.158 12.813 -3.136 87 HB THR 100 HB THR 100 47.971 11.834 -1.622 88 HG1 THR 100 HG1 THR 100 49.733 11.491 -2.805 89 1HG2 THR 100 1HG2 THR 100 46.941 9.684 -3.405 90 2HG2 THR 100 2HG2 THR 100 45.771 10.732 -2.602 91 3HG2 THR 100 3HG2 THR 100 46.921 9.797 -1.646 92 H ARG 101 H ARG 101 46.426 14.661 -2.057 93 HA ARG 101 HA ARG 101 49.048 15.924 -1.934 94 1HB ARG 101 2HB ARG 101 47.657 16.739 -3.978 95 2HB ARG 101 3HB ARG 101 46.713 17.610 -2.777 96 1HG ARG 101 2HG ARG 101 48.201 19.238 -3.229 97 2HG ARG 101 3HG ARG 101 49.169 18.370 -2.034 98 1HD ARG 101 2HD ARG 101 49.439 17.304 -4.735 99 2HD ARG 101 3HD ARG 101 49.942 18.988 -4.600 100 HE ARG 101 HE ARG 101 51.039 17.417 -2.504 101 1HH1 ARG 101 2HH1 ARG 101 51.384 18.152 -5.889 102 2HH1 ARG 101 1HH1 ARG 101 53.077 17.783 -5.931 103 1HH2 ARG 101 2HH2 ARG 101 53.267 16.928 -2.546 104 2HH2 ARG 101 1HH2 ARG 101 54.146 17.086 -4.028 105 H ARG 102 H ARG 102 49.138 15.736 0.260 106 HA ARG 102 HA ARG 102 47.563 17.591 1.791 107 1HB ARG 102 2HB ARG 102 46.511 15.050 1.559 108 2HB ARG 102 3HB ARG 102 47.402 14.969 3.073 109 1HG ARG 102 2HG ARG 102 45.677 17.333 2.685 110 2HG ARG 102 3HG ARG 102 44.865 15.782 2.904 111 1HD ARG 102 2HD ARG 102 46.411 15.474 4.922 112 2HD ARG 102 3HD ARG 102 46.744 17.199 4.768 113 HE ARG 102 HE ARG 102 44.688 17.632 5.665 114 1HH1 ARG 102 2HH1 ARG 102 44.765 14.330 4.563 115 2HH1 ARG 102 1HH1 ARG 102 43.222 13.931 5.240 116 1HH2 ARG 102 2HH2 ARG 102 42.655 17.118 6.562 117 2HH2 ARG 102 1HH2 ARG 102 42.021 15.517 6.377 118 H GLU 103 H GLU 103 49.291 18.580 2.658 119 HA GLU 103 HA GLU 103 51.473 16.978 3.758 120 1HB GLU 103 2HB GLU 103 51.785 19.062 2.273 121 2HB GLU 103 3HB GLU 103 51.358 19.983 3.708 122 1HG GLU 103 2HG GLU 103 53.747 19.862 3.504 123 2HG GLU 103 3HG GLU 103 53.226 18.938 4.913 124 H ARG 104 H ARG 104 51.710 16.602 5.864 125 HA ARG 104 HA ARG 104 50.554 18.417 7.825 126 1HB ARG 104 2HB ARG 104 49.476 16.525 9.044 127 2HB ARG 104 3HB ARG 104 48.727 16.894 7.496 128 1HG ARG 104 2HG ARG 104 49.662 14.985 6.476 129 2HG ARG 104 3HG ARG 104 50.770 14.718 7.823 130 1HD ARG 104 2HD ARG 104 47.765 14.540 8.002 131 2HD ARG 104 3HD ARG 104 48.842 13.158 7.803 132 HE ARG 104 HE ARG 104 49.792 14.394 10.023 133 1HH1 ARG 104 2HH1 ARG 104 46.654 13.239 9.056 134 2HH1 ARG 104 1HH1 ARG 104 46.143 12.882 10.673 135 1HH2 ARG 104 2HH2 ARG 104 49.132 13.928 12.156 136 2HH2 ARG 104 1HH2 ARG 104 47.553 13.276 12.436 137 H ALA 105 H ALA 105 51.457 18.214 9.911 138 HA ALA 105 HA ALA 105 53.286 16.209 10.667 139 1HB ALA 105 1HB ALA 105 54.440 17.750 8.793 140 2HB ALA 105 2HB ALA 105 54.863 18.665 10.241 141 3HB ALA 105 3HB ALA 105 55.333 16.970 10.098 142 H PHE 106 H PHE 106 54.540 16.852 12.653 143 HA PHE 106 HA PHE 106 52.922 18.731 14.232 144 1HB PHE 106 2HB PHE 106 54.642 16.411 15.134 145 2HB PHE 106 3HB PHE 106 53.753 17.485 16.209 146 HD1 PHE 106 HD1 PHE 106 51.193 17.644 15.792 147 HD2 PHE 106 HD2 PHE 106 53.654 14.465 14.396 148 HE1 PHE 106 HE1 PHE 106 49.211 16.201 15.596 149 HE2 PHE 106 HE2 PHE 106 51.676 13.016 14.197 150 HZ PHE 106 HZ PHE 106 49.450 13.884 14.797 151 H ASP 107 H ASP 107 54.650 20.069 12.754 152 HA ASP 107 HA ASP 107 56.696 20.902 14.683 153 1HB ASP 107 2HB ASP 107 57.227 19.621 12.193 154 2HB ASP 107 3HB ASP 107 57.741 21.301 12.062 155 H ALA 108 H ALA 108 56.005 22.868 15.240 156 HA ALA 108 HA ALA 108 56.051 25.010 13.396 157 1HB ALA 108 1HB ALA 108 53.479 25.502 14.029 158 2HB ALA 108 2HB ALA 108 53.987 24.702 12.541 159 3HB ALA 108 3HB ALA 108 53.443 23.742 13.916 160 H ASN 109 H ASN 109 55.615 27.083 14.409 161 HA ASN 109 HA ASN 109 56.393 27.069 17.184 162 1HB ASN 109 2HB ASN 109 56.082 29.145 15.059 163 2HB ASN 109 3HB ASN 109 56.073 29.663 16.743 164 1HD2 ASN 109 1HD2 ASN 109 58.018 30.453 14.939 165 2HD2 ASN 109 2HD2 ASN 109 59.532 29.766 15.409 166 H THR 110 H THR 110 54.914 26.732 18.705 167 HA THR 110 HA THR 110 52.167 27.640 18.298 168 HB THR 110 HB THR 110 53.044 26.157 20.746 169 HG1 THR 110 HG1 THR 110 52.833 24.204 19.574 170 1HG2 THR 110 1HG2 THR 110 50.625 27.062 19.881 171 2HG2 THR 110 2HG2 THR 110 50.849 25.711 20.995 172 3HG2 THR 110 3HG2 THR 110 50.615 25.407 19.273 173 H MET 111 H MET 111 51.219 29.239 19.443 174 HA MET 111 HA MET 111 52.837 31.122 20.802 175 1HB MET 111 2HB MET 111 50.049 30.885 19.985 176 2HB MET 111 3HB MET 111 50.225 31.697 21.534 177 1HG MET 111 2HG MET 111 51.726 32.484 19.052 178 2HG MET 111 3HG MET 111 50.196 33.202 19.551 179 1HE MET 111 1HE MET 111 49.893 34.024 22.077 180 2HE MET 111 2HE MET 111 50.996 35.303 22.588 181 3HE MET 111 3HE MET 111 50.175 35.416 21.030 182 H THR 112 H THR 112 53.679 30.840 22.753 183 HA THR 112 HA THR 112 52.594 28.977 24.643 184 HB THR 112 HB THR 112 54.395 30.007 26.165 185 HG1 THR 112 HG1 THR 112 56.042 31.005 24.577 186 1HG2 THR 112 1HG2 THR 112 54.928 27.930 25.266 187 2HG2 THR 112 2HG2 THR 112 56.241 28.950 24.679 188 3HG2 THR 112 3HG2 THR 112 54.904 28.530 23.608 189 H SER 113 H SER 113 51.172 29.345 26.217 190 HA SER 113 HA SER 113 50.521 32.145 26.869 191 1HB SER 113 2HB SER 113 48.576 29.980 27.489 192 2HB SER 113 3HB SER 113 48.287 31.633 26.946 193 HG SER 113 HG SER 113 48.004 30.760 25.062 194 H ALA 114 H ALA 114 50.201 28.913 28.351 195 HA ALA 114 HA ALA 114 51.696 29.725 30.671 196 1HB ALA 114 1HB ALA 114 48.716 29.354 30.846 197 2HB ALA 114 2HB ALA 114 49.783 29.223 32.245 198 3HB ALA 114 3HB ALA 114 49.676 30.743 31.357 199 H GLU 115 H GLU 115 51.639 27.613 28.588 200 HA GLU 115 HA GLU 115 50.866 25.171 29.858 201 1HB GLU 115 2HB GLU 115 51.925 25.996 27.289 202 2HB GLU 115 3HB GLU 115 52.730 24.547 27.872 203 1HG GLU 115 2HG GLU 115 50.411 23.599 28.274 204 2HG GLU 115 3HG GLU 115 49.811 24.958 27.324 205 H LYS 116 H LYS 116 52.210 23.532 30.675 206 HA LYS 116 HA LYS 116 54.528 24.523 32.079 207 1HB LYS 116 2HB LYS 116 52.655 22.389 32.407 208 2HB LYS 116 3HB LYS 116 54.277 21.709 32.386 209 1HG LYS 116 2HG LYS 116 54.928 22.870 34.281 210 2HG LYS 116 3HG LYS 116 53.654 24.078 34.101 211 1HD LYS 116 2HD LYS 116 52.376 21.576 34.358 212 2HD LYS 116 3HD LYS 116 53.631 21.638 35.598 213 1HE LYS 116 2HE LYS 116 52.711 23.525 36.606 214 2HE LYS 116 3HE LYS 116 51.784 23.957 35.170 215 1HZ LYS 116 1HZ LYS 116 50.492 21.854 35.581 216 2HZ LYS 116 2HZ LYS 116 50.251 23.095 36.705 217 3HZ LYS 116 3HZ LYS 116 51.238 21.778 37.097 218 H VAL 117 H VAL 117 56.387 22.728 32.220 219 HA VAL 117 HA VAL 117 57.618 22.748 29.635 220 HB VAL 117 HB VAL 117 58.866 23.039 31.789 221 1HG1 VAL 117 1HG1 VAL 117 57.559 20.946 32.735 222 2HG1 VAL 117 2HG1 VAL 117 58.963 20.085 32.102 223 3HG1 VAL 117 3HG1 VAL 117 59.175 21.359 33.304 224 1HG2 VAL 117 1HG2 VAL 117 60.821 22.162 30.927 225 2HG2 VAL 117 2HG2 VAL 117 60.030 20.700 30.337 226 3HG2 VAL 117 3HG2 VAL 117 59.796 22.231 29.493 227 H LEU 118 H LEU 118 58.415 20.900 28.492 228 HA LEU 118 HA LEU 118 56.540 18.679 28.563 229 1HB LEU 118 2HB LEU 118 58.247 19.937 26.586 230 2HB LEU 118 3HB LEU 118 58.401 18.181 26.565 231 HG LEU 118 HG LEU 118 55.698 19.466 26.466 232 1HD1 LEU 118 1HD1 LEU 118 55.770 19.627 24.106 233 2HD1 LEU 118 2HD1 LEU 118 57.350 18.850 24.029 234 3HD1 LEU 118 3HD1 LEU 118 57.197 20.470 24.710 235 1HD2 LEU 118 1HD2 LEU 118 55.066 17.346 26.329 236 2HD2 LEU 118 2HD2 LEU 118 56.749 16.819 26.373 237 3HD2 LEU 118 3HD2 LEU 118 55.978 17.181 24.828 238 H CYS 119 H CYS 119 56.968 16.634 29.362 239 HA CYS 119 HA CYS 119 59.169 16.208 30.943 240 1HB CYS 119 2HB CYS 119 57.039 14.907 31.007 241 2HB CYS 119 3HB CYS 119 57.517 14.085 29.535 242 H GLN 120 H GLN 120 61.211 16.224 30.280 243 HA GLN 120 HA GLN 120 62.061 15.831 27.610 244 1HB GLN 120 2HB GLN 120 63.179 17.069 29.670 245 2HB GLN 120 3HB GLN 120 63.975 15.514 29.875 246 1HG GLN 120 2HG GLN 120 64.488 15.803 27.317 247 2HG GLN 120 3HG GLN 120 64.239 17.509 27.689 248 1HE2 GLN 120 1HE2 GLN 120 65.903 14.690 29.067 249 2HE2 GLN 120 2HE2 GLN 120 67.359 15.531 29.465 250 H PHE 121 H PHE 121 61.913 13.737 30.427 251 HA PHE 121 HA PHE 121 63.436 11.609 29.334 252 1HB PHE 121 2HB PHE 121 62.727 12.076 31.802 253 2HB PHE 121 3HB PHE 121 61.276 11.176 31.372 254 HD1 PHE 121 HD1 PHE 121 64.985 10.878 31.093 255 HD2 PHE 121 HD2 PHE 121 61.267 8.916 31.754 256 HE1 PHE 121 HE1 PHE 121 66.178 8.768 31.513 257 HE2 PHE 121 HE2 PHE 121 62.454 6.802 32.176 258 HZ PHE 121 HZ PHE 121 64.912 6.727 32.056 259 H CYS 122 H CYS 122 60.024 12.579 29.057 260 HA CYS 122 HA CYS 122 58.952 10.161 28.298 261 1HB CYS 122 2HB CYS 122 58.219 13.006 28.021 262 2HB CYS 122 3HB CYS 122 57.542 11.971 26.780 263 H ASP 123 H ASP 123 58.385 9.481 26.101 264 HA ASP 123 HA ASP 123 60.108 10.446 23.948 265 1HB ASP 123 2HB ASP 123 60.652 8.069 25.405 266 2HB ASP 123 3HB ASP 123 60.083 7.589 23.809 267 H GLN 124 H GLN 124 57.208 10.449 24.617 268 HA GLN 124 HA GLN 124 55.886 8.604 22.907 269 1HB GLN 124 2HB GLN 124 55.125 10.976 24.506 270 2HB GLN 124 3HB GLN 124 54.077 10.589 23.148 271 1HG GLN 124 2HG GLN 124 53.820 8.305 24.036 272 2HG GLN 124 3HG GLN 124 54.799 8.765 25.429 273 1HE2 GLN 124 1HE2 GLN 124 52.181 10.382 23.666 274 2HE2 GLN 124 2HE2 GLN 124 51.172 10.629 25.046 275 H ASP 125 H ASP 125 56.682 12.055 22.573 276 HA ASP 125 HA ASP 125 56.956 13.382 20.745 277 1HB ASP 125 2HB ASP 125 57.788 10.734 19.883 278 2HB ASP 125 3HB ASP 125 57.133 11.676 18.546 279 HA PRO 126 HA PRO 126 55.867 14.938 21.044 280 1HB PRO 126 2HB PRO 126 53.659 15.972 22.235 281 2HB PRO 126 3HB PRO 126 54.163 16.413 20.599 282 1HG PRO 126 2HG PRO 126 52.069 14.461 21.475 283 2HG PRO 126 3HG PRO 126 52.006 15.658 20.168 284 1HD PRO 126 2HD PRO 126 52.491 13.034 19.715 285 2HD PRO 126 3HD PRO 126 53.191 14.320 18.714 286 H ALA 127 H ALA 127 56.300 15.189 23.270 287 HA ALA 127 HA ALA 127 55.880 12.801 24.825 288 1HB ALA 127 1HB ALA 127 57.959 13.488 25.339 289 2HB ALA 127 2HB ALA 127 57.602 15.179 24.985 290 3HB ALA 127 3HB ALA 127 57.126 14.483 26.534 291 H GLN 128 H GLN 128 55.194 12.947 27.129 292 HA GLN 128 HA GLN 128 52.688 14.392 27.281 293 1HB GLN 128 2HB GLN 128 53.438 11.929 28.148 294 2HB GLN 128 3HB GLN 128 53.603 12.859 29.631 295 1HG GLN 128 2HG GLN 128 51.221 13.720 29.026 296 2HG GLN 128 3HG GLN 128 51.162 12.268 28.028 297 1HE2 GLN 128 1HE2 GLN 128 49.464 11.512 29.367 298 2HE2 GLN 128 2HE2 GLN 128 49.799 10.816 30.912 299 H ASP 129 H ASP 129 52.250 16.118 28.534 300 HA ASP 129 HA ASP 129 54.243 17.827 29.409 301 1HB ASP 129 2HB ASP 129 51.351 17.607 30.256 302 2HB ASP 129 3HB ASP 129 52.404 18.925 30.761 303 H ALA 130 H ALA 130 55.082 18.365 31.436 304 HA ALA 130 HA ALA 130 54.920 16.196 33.420 305 1HB ALA 130 1HB ALA 130 57.138 16.204 33.033 306 2HB ALA 130 2HB ALA 130 57.136 17.861 32.426 307 3HB ALA 130 3HB ALA 130 57.124 17.558 34.164 308 H VAL 131 H VAL 131 55.111 16.825 35.695 309 HA VAL 131 HA VAL 131 54.342 19.567 36.330 310 HB VAL 131 HB VAL 131 52.444 18.918 37.686 311 1HG1 VAL 131 1HG1 VAL 131 50.881 18.322 35.940 312 2HG1 VAL 131 2HG1 VAL 131 52.086 19.439 35.299 313 3HG1 VAL 131 3HG1 VAL 131 52.193 17.717 34.931 314 1HG2 VAL 131 1HG2 VAL 131 51.852 16.303 36.892 315 2HG2 VAL 131 2HG2 VAL 131 53.556 16.283 37.348 316 3HG2 VAL 131 3HG2 VAL 131 52.342 16.848 38.496 317 H LYS 132 H LYS 132 56.551 17.472 36.796 318 HA LYS 132 HA LYS 132 56.861 18.073 39.646 319 1HB LYS 132 2HB LYS 132 57.235 15.344 38.402 320 2HB LYS 132 3HB LYS 132 57.754 15.774 40.027 321 1HG LYS 132 2HG LYS 132 54.993 16.464 39.658 322 2HG LYS 132 3HG LYS 132 55.268 14.773 39.235 323 1HD LYS 132 2HD LYS 132 55.004 14.459 41.456 324 2HD LYS 132 3HD LYS 132 56.703 14.932 41.512 325 1HE LYS 132 2HE LYS 132 55.881 16.371 43.071 326 2HE LYS 132 3HE LYS 132 55.630 17.355 41.631 327 1HZ LYS 132 1HZ LYS 132 53.709 17.034 43.306 328 2HZ LYS 132 2HZ LYS 132 53.505 15.537 42.545 329 3HZ LYS 132 3HZ LYS 132 53.378 16.966 41.648 330 H THR 133 H THR 133 58.751 19.020 39.994 331 HA THR 133 HA THR 133 60.961 18.476 38.120 332 HB THR 133 HB THR 133 61.200 20.974 39.612 333 HG1 THR 133 HG1 THR 133 58.909 20.947 39.301 334 1HG2 THR 133 1HG2 THR 133 62.174 19.881 37.275 335 2HG2 THR 133 2HG2 THR 133 62.347 21.563 37.778 336 3HG2 THR 133 3HG2 THR 133 61.030 21.094 36.704 337 H CYS 134 H CYS 134 62.448 17.137 39.107 338 HA CYS 134 HA CYS 134 62.759 17.393 41.971 339 1HB CYS 134 2HB CYS 134 62.537 15.145 40.950 340 2HB CYS 134 3HB CYS 134 64.011 15.412 40.040 341 H VAL 135 H VAL 135 64.176 18.844 42.666 342 HA VAL 135 HA VAL 135 66.065 20.184 41.056 343 HB VAL 135 HB VAL 135 66.942 21.110 43.184 344 1HG1 VAL 135 1HG1 VAL 135 65.312 22.596 42.938 345 2HG1 VAL 135 2HG1 VAL 135 64.342 21.398 42.079 346 3HG1 VAL 135 3HG1 VAL 135 64.214 21.546 43.833 347 1HG2 VAL 135 1HG2 VAL 135 64.973 19.183 44.408 348 2HG2 VAL 135 2HG2 VAL 135 66.722 19.218 44.641 349 3HG2 VAL 135 3HG2 VAL 135 65.721 20.523 45.278 350 H THR 136 H THR 136 66.327 17.456 43.268 351 HA THR 136 HA THR 136 69.149 17.311 43.321 352 HB THR 136 HB THR 136 68.926 15.324 44.476 353 HG1 THR 136 HG1 THR 136 67.969 13.906 43.158 354 1HG2 THR 136 1HG2 THR 136 67.264 15.652 46.063 355 2HG2 THR 136 2HG2 THR 136 66.094 16.216 44.870 356 3HG2 THR 136 3HG2 THR 136 67.428 17.259 45.360 357 H CYS 137 H CYS 137 66.678 15.946 41.093 358 HA CYS 137 HA CYS 137 68.665 14.376 39.751 359 1HB CYS 137 2HB CYS 137 65.725 14.893 39.278 360 2HB CYS 137 3HB CYS 137 66.705 14.037 38.103 361 H GLU 138 H GLU 138 67.421 17.558 39.733 362 HA GLU 138 HA GLU 138 67.873 19.421 38.508 363 1HB GLU 138 2HB GLU 138 70.202 17.891 38.386 364 2HB GLU 138 3HB GLU 138 69.883 18.340 36.717 365 1HG GLU 138 2HG GLU 138 69.825 20.392 38.890 366 2HG GLU 138 3HG GLU 138 71.348 19.877 38.167 367 H VAL 139 H VAL 139 65.982 17.355 37.585 368 HA VAL 139 HA VAL 139 65.610 18.394 34.899 369 HB VAL 139 HB VAL 139 65.863 15.431 35.432 370 1HG1 VAL 139 1HG1 VAL 139 63.990 15.706 33.993 371 2HG1 VAL 139 2HG1 VAL 139 64.834 16.913 33.020 372 3HG1 VAL 139 3HG1 VAL 139 65.352 15.227 32.980 373 1HG2 VAL 139 1HG2 VAL 139 67.432 17.355 33.725 374 2HG2 VAL 139 2HG2 VAL 139 68.011 16.417 35.103 375 3HG2 VAL 139 3HG2 VAL 139 67.570 15.601 33.603 376 H SER 140 H SER 140 63.485 18.408 34.238 377 HA SER 140 HA SER 140 61.534 17.809 36.329 378 1HB SER 140 2HB SER 140 61.700 20.056 35.042 379 2HB SER 140 3HB SER 140 60.898 19.188 33.732 380 HG SER 140 HG SER 140 59.804 19.007 36.296 381 H TYR 141 H TYR 141 60.132 16.176 36.215 382 HA TYR 141 HA TYR 141 59.809 14.791 33.635 383 1HB TYR 141 2HB TYR 141 59.870 13.457 36.346 384 2HB TYR 141 3HB TYR 141 59.767 12.663 34.780 385 HD1 TYR 141 HD1 TYR 141 61.985 14.640 36.985 386 HD2 TYR 141 HD2 TYR 141 61.717 12.184 33.521 387 HE1 TYR 141 HE1 TYR 141 64.439 14.497 36.904 388 HE2 TYR 141 HE2 TYR 141 64.170 12.033 33.430 389 HH TYR 141 HH TYR 141 66.089 12.659 34.348 390 H CYS 142 H CYS 142 57.779 13.154 33.820 391 HA CYS 142 HA CYS 142 55.636 14.844 34.859 392 1HB CYS 142 2HB CYS 142 54.177 13.813 33.257 393 2HB CYS 142 3HB CYS 142 55.625 14.331 32.417 394 H ASP 143 H ASP 143 53.666 13.310 35.405 395 HA ASP 143 HA ASP 143 54.248 11.928 37.746 396 1HB ASP 143 2HB ASP 143 51.903 10.914 37.372 397 2HB ASP 143 3HB ASP 143 52.035 12.663 37.536 398 H GLU 144 H GLU 144 53.385 10.576 34.562 399 HA GLU 144 HA GLU 144 53.539 7.899 35.116 400 1HB GLU 144 2HB GLU 144 54.096 9.524 32.682 401 2HB GLU 144 3HB GLU 144 54.573 7.833 32.664 402 1HG GLU 144 2HG GLU 144 51.801 8.680 33.423 403 2HG GLU 144 3HG GLU 144 52.276 8.435 31.744 404 H CYS 145 H CYS 145 56.327 9.738 33.648 405 HA CYS 145 HA CYS 145 58.168 7.758 34.020 406 1HB CYS 145 2HB CYS 145 58.577 10.765 34.052 407 2HB CYS 145 3HB CYS 145 59.876 9.595 33.941 408 H LEU 146 H LEU 146 57.333 10.493 36.135 409 HA LEU 146 HA LEU 146 59.057 10.111 38.235 410 1HB LEU 146 2HB LEU 146 57.484 11.991 38.019 411 2HB LEU 146 3HB LEU 146 56.156 10.909 38.431 412 HG LEU 146 HG LEU 146 57.529 10.534 40.626 413 1HD1 LEU 146 1HD1 LEU 146 58.352 13.347 40.334 414 2HD1 LEU 146 2HD1 LEU 146 59.308 12.168 39.436 415 3HD1 LEU 146 3HD1 LEU 146 59.132 12.013 41.185 416 1HD2 LEU 146 1HD2 LEU 146 56.441 12.739 41.491 417 2HD2 LEU 146 2HD2 LEU 146 55.422 11.426 40.901 418 3HD2 LEU 146 3HD2 LEU 146 55.757 12.815 39.867 419 H LYS 147 H LYS 147 56.274 8.222 37.363 420 HA LYS 147 HA LYS 147 55.949 6.878 39.848 421 1HB LYS 147 2HB LYS 147 54.442 7.051 37.618 422 2HB LYS 147 3HB LYS 147 55.183 5.479 37.350 423 1HG LYS 147 2HG LYS 147 54.418 5.018 39.801 424 2HG LYS 147 3HG LYS 147 53.297 6.346 39.488 425 1HD LYS 147 2HD LYS 147 52.210 5.185 37.784 426 2HD LYS 147 3HD LYS 147 53.555 4.064 37.559 427 1HE LYS 147 2HE LYS 147 52.475 2.627 38.866 428 2HE LYS 147 3HE LYS 147 52.757 3.729 40.212 429 1HZ LYS 147 1HZ LYS 147 50.614 4.828 39.022 430 2HZ LYS 147 2HZ LYS 147 50.538 3.763 40.333 431 3HZ LYS 147 3HZ LYS 147 50.324 3.182 38.758 432 H ALA 148 H ALA 148 57.701 6.118 36.867 433 HA ALA 148 HA ALA 148 58.653 3.595 37.883 434 1HB ALA 148 1HB ALA 148 59.261 3.165 35.770 435 2HB ALA 148 2HB ALA 148 58.311 4.599 35.372 436 3HB ALA 148 3HB ALA 148 60.058 4.728 35.578 437 H THR 149 H THR 149 60.167 6.717 37.070 438 HA THR 149 HA THR 149 62.730 6.024 38.049 439 HB THR 149 HB THR 149 61.581 8.807 37.779 440 HG1 THR 149 HG1 THR 149 62.698 8.637 35.674 441 1HG2 THR 149 1HG2 THR 149 63.986 8.001 38.852 442 2HG2 THR 149 2HG2 THR 149 63.639 9.597 38.188 443 3HG2 THR 149 3HG2 THR 149 64.402 8.369 37.179 444 H HIS 150 H HIS 150 60.054 7.877 39.477 445 HA HIS 150 HA HIS 150 61.396 7.647 42.090 446 1HB HIS 150 2HB HIS 150 59.429 9.711 41.083 447 2HB HIS 150 3HB HIS 150 59.957 9.594 42.760 448 HD2 HIS 150 HD2 HIS 150 60.988 12.268 42.172 449 HE1 HIS 150 HE1 HIS 150 64.384 10.713 40.162 450 HA PRO 151 HA PRO 151 57.626 4.940 42.233 451 1HB PRO 151 2HB PRO 151 58.869 2.878 43.487 452 2HB PRO 151 3HB PRO 151 58.861 3.069 41.730 453 1HG PRO 151 2HG PRO 151 60.994 3.787 43.704 454 2HG PRO 151 3HG PRO 151 61.152 3.004 42.121 455 1HD PRO 151 2HD PRO 151 61.656 5.637 42.502 456 2HD PRO 151 3HD PRO 151 61.002 5.000 40.979 457 H ASN 152 H ASN 152 56.523 4.092 44.139 458 HA ASN 152 HA ASN 152 55.756 4.232 46.276 459 1HB ASN 152 2HB ASN 152 58.404 5.142 47.314 460 2HB ASN 152 3HB ASN 152 57.270 3.982 47.999 461 1HD2 ASN 152 1HD2 ASN 152 60.238 4.163 46.899 462 2HD2 ASN 152 2HD2 ASN 152 60.422 2.617 46.151 463 H LYS 153 H LYS 153 54.394 5.856 46.608 464 HA LYS 153 HA LYS 153 55.345 8.387 47.575 465 1HB LYS 153 2HB LYS 153 54.146 9.723 45.833 466 2HB LYS 153 3HB LYS 153 55.575 8.885 45.242 467 1HG LYS 153 2HG LYS 153 53.959 7.049 44.492 468 2HG LYS 153 3HG LYS 153 52.690 8.248 44.747 469 1HD LYS 153 2HD LYS 153 53.203 8.520 42.501 470 2HD LYS 153 3HD LYS 153 54.178 9.775 43.271 471 1HE LYS 153 2HE LYS 153 55.534 8.648 41.647 472 2HE LYS 153 3HE LYS 153 56.104 8.204 43.255 473 1HZ LYS 153 1HZ LYS 153 55.965 6.297 41.749 474 2HZ LYS 153 2HZ LYS 153 54.302 6.547 41.573 475 3HZ LYS 153 3HZ LYS 153 54.938 6.117 43.080 476 H LYS 154 H LYS 154 54.071 8.599 49.290 477 HA LYS 154 HA LYS 154 51.297 9.020 49.074 478 1HB LYS 154 2HB LYS 154 51.672 6.406 48.890 479 2HB LYS 154 3HB LYS 154 51.795 6.527 50.641 480 1HG LYS 154 2HG LYS 154 49.595 7.135 50.892 481 2HG LYS 154 3HG LYS 154 49.478 7.790 49.257 482 1HD LYS 154 2HD LYS 154 49.016 5.768 48.336 483 2HD LYS 154 3HD LYS 154 50.030 4.893 49.487 484 1HE LYS 154 2HE LYS 154 47.945 4.214 50.159 485 2HE LYS 154 3HE LYS 154 48.173 5.624 51.191 486 1HZ LYS 154 1HZ LYS 154 46.935 6.071 48.588 487 2HZ LYS 154 2HZ LYS 154 46.620 6.809 50.076 488 3HZ LYS 154 3HZ LYS 154 46.003 5.268 49.750 489 HA PRO 155 HA PRO 155 51.040 10.904 49.388 490 1HB PRO 155 2HB PRO 155 52.188 13.323 49.843 491 2HB PRO 155 3HB PRO 155 50.727 12.781 50.676 492 1HG PRO 155 2HG PRO 155 53.566 12.764 51.625 493 2HG PRO 155 3HG PRO 155 52.096 13.223 52.504 494 1HD PRO 155 2HD PRO 155 53.286 10.811 52.816 495 2HD PRO 155 3HD PRO 155 51.529 11.035 52.954 496 H PHE 156 H PHE 156 54.422 11.132 50.434 497 HA PHE 156 HA PHE 156 55.284 10.640 47.700 498 1HB PHE 156 2HB PHE 156 56.013 13.120 49.256 499 2HB PHE 156 3HB PHE 156 56.981 12.529 47.910 500 HD1 PHE 156 HD1 PHE 156 54.414 14.701 48.821 501 HD2 PHE 156 HD2 PHE 156 55.578 12.036 45.713 502 HE1 PHE 156 HE1 PHE 156 52.948 15.899 47.250 503 HE2 PHE 156 HE2 PHE 156 54.115 13.231 44.136 504 HZ PHE 156 HZ PHE 156 52.798 15.166 44.903 505 H THR 157 H THR 157 56.853 11.794 50.683 506 HA THR 157 HA THR 157 58.808 11.059 51.662 507 HB THR 157 HB THR 157 57.072 9.796 52.837 508 HG1 THR 157 HG1 THR 157 59.268 9.389 53.382 509 1HG2 THR 157 1HG2 THR 157 55.983 8.564 51.143 510 2HG2 THR 157 2HG2 THR 157 56.783 7.357 52.151 511 3HG2 THR 157 3HG2 THR 157 57.489 7.823 50.603 512 H GLY 158 H GLY 158 59.199 11.121 48.918 513 1HA GLY 158 2HA GLY 158 60.863 8.712 48.519 514 2HA GLY 158 3HA GLY 158 59.950 9.442 47.206 515 H HIS 159 H HIS 159 60.715 11.280 46.203 516 HA HIS 159 HA HIS 159 63.492 11.977 46.871 517 1HB HIS 159 2HB HIS 159 62.382 11.214 44.459 518 2HB HIS 159 3HB HIS 159 62.473 12.967 44.315 519 HD2 HIS 159 HD2 HIS 159 65.439 12.851 46.156 520 HE1 HIS 159 HE1 HIS 159 66.745 11.132 42.504 521 H ARG 160 H ARG 160 63.891 14.346 45.768 522 HA ARG 160 HA ARG 160 62.281 16.114 47.423 523 1HB ARG 160 2HB ARG 160 64.949 16.051 46.887 524 2HB ARG 160 3HB ARG 160 64.408 17.277 45.748 525 1HG ARG 160 2HG ARG 160 63.778 18.735 47.401 526 2HG ARG 160 3HG ARG 160 63.520 17.450 48.584 527 1HD ARG 160 2HD ARG 160 66.260 17.442 47.783 528 2HD ARG 160 3HD ARG 160 65.802 19.084 48.234 529 HE ARG 160 HE ARG 160 66.172 16.879 49.988 530 1HH1 ARG 160 2HH1 ARG 160 64.260 19.749 49.503 531 2HH1 ARG 160 1HH1 ARG 160 63.927 19.968 51.189 532 1HH2 ARG 160 2HH2 ARG 160 65.740 17.159 52.210 533 2HH2 ARG 160 1HH2 ARG 160 64.770 18.495 52.728 534 H LEU 161 H LEU 161 62.235 18.472 46.199 535 HA LEU 161 HA LEU 161 61.501 18.422 43.461 536 1HB LEU 161 2HB LEU 161 59.518 17.523 45.214 537 2HB LEU 161 3HB LEU 161 59.068 19.178 44.812 538 HG LEU 161 HG LEU 161 59.673 18.060 42.358 539 1HD1 LEU 161 1HD1 LEU 161 58.034 16.035 42.517 540 2HD1 LEU 161 2HD1 LEU 161 58.553 16.002 44.202 541 3HD1 LEU 161 3HD1 LEU 161 59.740 15.831 42.909 542 1HD2 LEU 161 1HD2 LEU 161 57.411 18.414 41.877 543 2HD2 LEU 161 2HD2 LEU 161 57.771 19.570 43.159 544 3HD2 LEU 161 3HD2 LEU 161 56.912 18.076 43.534 545 H ILE 162 H ILE 162 59.815 20.541 43.257 546 HA ILE 162 HA ILE 162 61.437 22.752 43.544 547 HB ILE 162 HB ILE 162 58.416 22.724 43.527 548 1HG1 ILE 162 2HG1 ILE 162 59.453 21.564 41.602 549 2HG1 ILE 162 3HG1 ILE 162 58.613 23.034 41.120 550 1HG2 ILE 162 1HG2 ILE 162 59.157 25.027 42.301 551 2HG2 ILE 162 2HG2 ILE 162 58.698 24.902 43.998 552 3HG2 ILE 162 3HG2 ILE 162 60.402 24.886 43.542 553 1HD1 ILE 162 1HD1 ILE 162 60.681 22.880 39.927 554 2HD1 ILE 162 2HD1 ILE 162 60.793 24.204 41.088 555 3HD1 ILE 162 3HD1 ILE 162 61.581 22.663 41.427 556 H GLU 163 H GLU 163 61.985 24.070 45.161 557 HA GLU 163 HA GLU 163 61.529 23.490 47.826 558 1HB GLU 163 2HB GLU 163 62.499 25.890 46.354 559 2HB GLU 163 3HB GLU 163 62.071 26.090 48.048 560 1HG GLU 163 2HG GLU 163 63.742 23.757 47.555 561 2HG GLU 163 3HG GLU 163 64.502 25.277 47.086 562 HA PRO 164 HA PRO 164 57.580 25.042 48.937 563 1HB PRO 164 2HB PRO 164 58.046 26.147 51.373 564 2HB PRO 164 3HB PRO 164 58.039 24.401 51.095 565 1HG PRO 164 2HG PRO 164 60.363 26.277 51.296 566 2HG PRO 164 3HG PRO 164 60.167 24.660 51.996 567 1HD PRO 164 2HD PRO 164 61.598 25.108 49.742 568 2HD PRO 164 3HD PRO 164 60.699 23.603 50.017 Start of MODEL 7 1 1H GLN 87 H GLN 87 42.113 -23.293 -16.432 2 HA GLN 87 HA GLN 87 40.186 -22.133 -14.766 3 1HB GLN 87 2HB GLN 87 41.544 -24.587 -13.672 4 2HB GLN 87 3HB GLN 87 40.928 -23.323 -12.616 5 1HG GLN 87 2HG GLN 87 39.213 -24.703 -14.656 6 2HG GLN 87 3HG GLN 87 39.423 -25.312 -13.015 7 1HE2 GLN 87 1HE2 GLN 87 37.452 -23.557 -14.926 8 2HE2 GLN 87 2HE2 GLN 87 36.682 -22.567 -13.739 9 H LYS 88 H LYS 88 41.147 -20.240 -14.479 10 HA LYS 88 HA LYS 88 44.040 -20.064 -14.275 11 1HB LYS 88 2HB LYS 88 41.834 -18.235 -14.927 12 2HB LYS 88 3HB LYS 88 43.113 -17.504 -13.968 13 1HG LYS 88 2HG LYS 88 44.134 -17.137 -15.911 14 2HG LYS 88 3HG LYS 88 44.515 -18.861 -15.894 15 1HD LYS 88 2HD LYS 88 41.905 -18.684 -16.886 16 2HD LYS 88 3HD LYS 88 42.797 -17.380 -17.673 17 1HE LYS 88 2HE LYS 88 43.914 -20.159 -17.517 18 2HE LYS 88 3HE LYS 88 42.775 -19.705 -18.783 19 1HZ LYS 88 1HZ LYS 88 44.858 -17.784 -18.527 20 2HZ LYS 88 2HZ LYS 88 44.372 -18.661 -19.889 21 3HZ LYS 88 3HZ LYS 88 45.494 -19.326 -18.810 22 H ALA 89 H ALA 89 44.928 -18.475 -12.625 23 HA ALA 89 HA ALA 89 43.462 -18.380 -10.116 24 1HB ALA 89 1HB ALA 89 46.103 -19.348 -9.530 25 2HB ALA 89 2HB ALA 89 44.537 -20.006 -9.055 26 3HB ALA 89 3HB ALA 89 45.257 -20.471 -10.595 27 H SER 90 H SER 90 45.224 -17.489 -8.379 28 HA SER 90 HA SER 90 46.168 -14.997 -9.587 29 1HB SER 90 2HB SER 90 45.237 -15.811 -6.896 30 2HB SER 90 3HB SER 90 46.526 -14.608 -6.934 31 HG SER 90 HG SER 90 43.903 -14.447 -7.924 32 H VAL 91 H VAL 91 48.080 -15.767 -10.541 33 HA VAL 91 HA VAL 91 50.221 -16.381 -8.610 34 HB VAL 91 HB VAL 91 50.029 -17.441 -11.432 35 1HG1 VAL 91 1HG1 VAL 91 52.254 -17.071 -9.782 36 2HG1 VAL 91 2HG1 VAL 91 51.881 -18.793 -9.693 37 3HG1 VAL 91 3HG1 VAL 91 52.164 -18.031 -11.259 38 1HG2 VAL 91 1HG2 VAL 91 48.391 -18.569 -10.125 39 2HG2 VAL 91 2HG2 VAL 91 49.775 -19.653 -10.268 40 3HG2 VAL 91 3HG2 VAL 91 49.508 -18.757 -8.773 41 H SER 92 H SER 92 50.588 -14.072 -8.567 42 HA SER 92 HA SER 92 51.862 -13.031 -11.010 43 1HB SER 92 2HB SER 92 51.409 -10.800 -10.176 44 2HB SER 92 3HB SER 92 49.915 -11.737 -10.136 45 HG SER 92 HG SER 92 50.990 -10.444 -8.150 46 H GLY 93 H GLY 93 53.496 -11.152 -10.259 47 1HA GLY 93 2HA GLY 93 55.735 -12.477 -9.204 48 2HA GLY 93 3HA GLY 93 55.594 -10.740 -9.424 49 HA PRO 94 HA PRO 94 55.837 -11.803 -4.866 50 1HB PRO 94 2HB PRO 94 58.035 -10.298 -4.342 51 2HB PRO 94 3HB PRO 94 58.128 -11.985 -4.862 52 1HG PRO 94 2HG PRO 94 58.460 -9.485 -6.474 53 2HG PRO 94 3HG PRO 94 59.414 -10.980 -6.518 54 1HD PRO 94 2HD PRO 94 57.498 -10.421 -8.348 55 2HD PRO 94 3HD PRO 94 57.868 -12.077 -7.828 56 H ASN 95 H ASN 95 55.025 -10.507 -3.272 57 HA ASN 95 HA ASN 95 53.646 -8.181 -3.938 58 1HB ASN 95 2HB ASN 95 54.568 -9.147 -1.223 59 2HB ASN 95 3HB ASN 95 53.393 -7.861 -1.481 60 1HD2 ASN 95 1HD2 ASN 95 51.518 -8.501 -2.908 61 2HD2 ASN 95 2HD2 ASN 95 50.835 -10.062 -2.626 62 H SER 96 H SER 96 54.056 -6.017 -3.728 63 HA SER 96 HA SER 96 56.649 -5.083 -4.084 64 1HB SER 96 2HB SER 96 54.009 -3.920 -3.744 65 2HB SER 96 3HB SER 96 55.253 -2.929 -2.983 66 HG SER 96 HG SER 96 55.064 -3.746 -5.684 67 HA PRO 97 HA PRO 97 58.506 -4.732 -0.126 68 1HB PRO 97 2HB PRO 97 59.800 -2.352 -0.293 69 2HB PRO 97 3HB PRO 97 60.327 -3.795 -1.167 70 1HG PRO 97 2HG PRO 97 58.729 -1.463 -2.151 71 2HG PRO 97 3HG PRO 97 60.065 -2.318 -2.945 72 1HD PRO 97 2HD PRO 97 57.469 -2.769 -3.571 73 2HD PRO 97 3HD PRO 97 58.706 -4.039 -3.654 74 H SER 98 H SER 98 58.067 -4.012 1.902 75 HA SER 98 HA SER 98 55.746 -2.454 2.338 76 1HB SER 98 2HB SER 98 57.906 -3.401 4.231 77 2HB SER 98 3HB SER 98 56.436 -2.581 4.757 78 HG SER 98 HG SER 98 56.182 -4.836 4.847 79 H GLU 99 H GLU 99 55.715 -0.354 1.826 80 HA GLU 99 HA GLU 99 57.865 1.390 1.699 81 1HB GLU 99 2HB GLU 99 54.955 1.609 1.667 82 2HB GLU 99 3HB GLU 99 55.728 3.018 2.380 83 1HG GLU 99 2HG GLU 99 57.222 3.020 0.306 84 2HG GLU 99 3HG GLU 99 56.037 1.914 -0.386 85 H THR 100 H THR 100 59.223 1.912 3.272 86 HA THR 100 HA THR 100 58.295 2.005 6.038 87 HB THR 100 HB THR 100 60.649 2.139 6.660 88 HG1 THR 100 HG1 THR 100 61.205 2.064 3.865 89 1HG2 THR 100 1HG2 THR 100 60.210 0.030 4.542 90 2HG2 THR 100 2HG2 THR 100 59.659 -0.077 6.215 91 3HG2 THR 100 3HG2 THR 100 61.384 -0.034 5.856 92 H ARG 101 H ARG 101 59.791 3.795 7.279 93 HA ARG 101 HA ARG 101 59.290 6.354 5.907 94 1HB ARG 101 2HB ARG 101 57.963 5.406 8.169 95 2HB ARG 101 3HB ARG 101 59.149 6.541 8.801 96 1HG ARG 101 2HG ARG 101 57.986 8.294 8.087 97 2HG ARG 101 3HG ARG 101 57.773 7.595 6.480 98 1HD ARG 101 2HD ARG 101 56.161 6.775 8.890 99 2HD ARG 101 3HD ARG 101 55.652 8.024 7.755 100 HE ARG 101 HE ARG 101 56.295 5.501 6.522 101 1HH1 ARG 101 2HH1 ARG 101 53.811 7.418 8.031 102 2HH1 ARG 101 1HH1 ARG 101 52.509 6.565 7.271 103 1HH2 ARG 101 2HH2 ARG 101 54.589 4.371 5.515 104 2HH2 ARG 101 1HH2 ARG 101 52.953 4.831 5.841 105 H ARG 102 H ARG 102 60.466 8.194 7.152 106 HA ARG 102 HA ARG 102 63.232 7.703 6.972 107 1HB ARG 102 2HB ARG 102 61.497 9.976 7.662 108 2HB ARG 102 3HB ARG 102 63.082 10.016 8.421 109 1HG ARG 102 2HG ARG 102 64.061 10.634 6.529 110 2HG ARG 102 3HG ARG 102 63.279 9.339 5.622 111 1HD ARG 102 2HD ARG 102 61.719 11.761 6.414 112 2HD ARG 102 3HD ARG 102 62.798 11.829 5.022 113 HE ARG 102 HE ARG 102 61.143 9.562 4.816 114 1HH1 ARG 102 2HH1 ARG 102 61.004 13.035 4.613 115 2HH1 ARG 102 1HH1 ARG 102 59.665 13.047 3.513 116 1HH2 ARG 102 2HH2 ARG 102 59.380 9.566 3.368 117 2HH2 ARG 102 1HH2 ARG 102 58.742 11.074 2.806 118 H GLU 103 H GLU 103 64.702 7.059 8.423 119 HA GLU 103 HA GLU 103 63.967 5.890 10.851 120 1HB GLU 103 2HB GLU 103 66.586 6.706 9.647 121 2HB GLU 103 3HB GLU 103 66.532 6.143 11.312 122 1HG GLU 103 2HG GLU 103 65.048 4.297 9.802 123 2HG GLU 103 3HG GLU 103 66.520 4.631 8.890 124 H ARG 104 H ARG 104 63.246 6.863 12.617 125 HA ARG 104 HA ARG 104 63.303 9.576 13.157 126 1HB ARG 104 2HB ARG 104 63.195 7.321 15.170 127 2HB ARG 104 3HB ARG 104 62.704 8.985 15.461 128 1HG ARG 104 2HG ARG 104 60.712 8.692 14.494 129 2HG ARG 104 3HG ARG 104 61.389 7.750 13.163 130 1HD ARG 104 2HD ARG 104 60.861 6.722 15.949 131 2HD ARG 104 3HD ARG 104 59.837 6.435 14.544 132 HE ARG 104 HE ARG 104 62.437 5.586 13.942 133 1HH1 ARG 104 2HH1 ARG 104 59.768 4.731 16.007 134 2HH1 ARG 104 1HH1 ARG 104 60.170 3.046 16.048 135 1HH2 ARG 104 2HH2 ARG 104 62.975 3.370 13.986 136 2HH2 ARG 104 1HH2 ARG 104 61.994 2.273 14.897 137 H ALA 105 H ALA 105 64.418 10.735 14.899 138 HA ALA 105 HA ALA 105 67.092 9.699 15.519 139 1HB ALA 105 1HB ALA 105 68.238 11.379 14.538 140 2HB ALA 105 2HB ALA 105 66.815 11.444 13.497 141 3HB ALA 105 3HB ALA 105 66.973 12.569 14.846 142 H PHE 106 H PHE 106 68.198 11.543 16.988 143 HA PHE 106 HA PHE 106 66.837 11.494 19.425 144 1HB PHE 106 2HB PHE 106 69.188 13.073 18.418 145 2HB PHE 106 3HB PHE 106 68.548 13.344 20.036 146 HD1 PHE 106 HD1 PHE 106 68.726 11.630 21.749 147 HD2 PHE 106 HD2 PHE 106 70.358 11.050 17.861 148 HE1 PHE 106 HE1 PHE 106 70.049 9.735 22.591 149 HE2 PHE 106 HE2 PHE 106 71.683 9.152 18.697 150 HZ PHE 106 HZ PHE 106 71.529 8.492 21.064 151 H ASP 107 H ASP 107 66.160 13.374 20.730 152 HA ASP 107 HA ASP 107 64.259 14.948 19.279 153 1HB ASP 107 2HB ASP 107 64.676 14.167 21.988 154 2HB ASP 107 3HB ASP 107 64.569 15.924 21.940 155 H ALA 108 H ALA 108 64.110 17.384 20.049 156 HA ALA 108 HA ALA 108 66.762 18.632 19.919 157 1HB ALA 108 1HB ALA 108 65.823 18.477 17.622 158 2HB ALA 108 2HB ALA 108 64.471 19.478 18.153 159 3HB ALA 108 3HB ALA 108 66.110 20.130 18.164 160 H ASN 109 H ASN 109 66.290 21.197 19.977 161 HA ASN 109 HA ASN 109 65.129 21.641 22.551 162 1HB ASN 109 2HB ASN 109 66.519 23.336 20.517 163 2HB ASN 109 3HB ASN 109 65.603 24.126 21.797 164 1HD2 ASN 109 1HD2 ASN 109 68.359 24.389 21.465 165 2HD2 ASN 109 2HD2 ASN 109 69.147 23.674 22.826 166 H THR 110 H THR 110 63.135 22.284 23.055 167 HA THR 110 HA THR 110 61.384 23.206 20.869 168 HB THR 110 HB THR 110 60.164 22.011 23.300 169 HG1 THR 110 HG1 THR 110 61.716 20.593 21.415 170 1HG2 THR 110 1HG2 THR 110 58.628 22.745 21.680 171 2HG2 THR 110 2HG2 THR 110 58.719 21.000 21.442 172 3HG2 THR 110 3HG2 THR 110 59.582 22.085 20.353 173 H MET 111 H MET 111 59.906 24.861 21.305 174 HA MET 111 HA MET 111 60.781 26.875 23.057 175 1HB MET 111 2HB MET 111 59.293 27.025 20.934 176 2HB MET 111 3HB MET 111 57.958 26.728 22.040 177 1HG MET 111 2HG MET 111 58.068 28.784 22.943 178 2HG MET 111 3HG MET 111 59.827 28.849 22.847 179 1HE MET 111 1HE MET 111 57.724 31.769 21.059 180 2HE MET 111 2HE MET 111 56.563 30.457 20.855 181 3HE MET 111 3HE MET 111 57.345 30.706 22.416 182 H THR 112 H THR 112 59.498 27.865 24.809 183 HA THR 112 HA THR 112 57.635 26.167 26.225 184 HB THR 112 HB THR 112 59.151 26.528 28.363 185 HG1 THR 112 HG1 THR 112 61.401 26.052 27.551 186 1HG2 THR 112 1HG2 THR 112 59.915 24.274 28.159 187 2HG2 THR 112 2HG2 THR 112 59.832 24.343 26.398 188 3HG2 THR 112 3HG2 THR 112 58.350 24.368 27.354 189 H SER 113 H SER 113 59.771 28.997 26.578 190 HA SER 113 HA SER 113 59.425 31.048 27.523 191 1HB SER 113 2HB SER 113 57.000 31.929 26.909 192 2HB SER 113 3HB SER 113 58.235 31.724 25.667 193 HG SER 113 HG SER 113 56.655 30.592 24.800 194 H ALA 114 H ALA 114 56.020 30.433 27.847 195 HA ALA 114 HA ALA 114 56.252 29.744 30.664 196 1HB ALA 114 1HB ALA 114 55.769 31.739 31.508 197 2HB ALA 114 2HB ALA 114 55.932 32.420 29.888 198 3HB ALA 114 3HB ALA 114 54.354 31.886 30.466 199 H GLU 115 H GLU 115 55.175 28.581 28.136 200 HA GLU 115 HA GLU 115 52.309 28.592 28.449 201 1HB GLU 115 2HB GLU 115 53.842 26.613 26.789 202 2HB GLU 115 3HB GLU 115 52.225 27.250 26.526 203 1HG GLU 115 2HG GLU 115 53.790 29.502 26.425 204 2HG GLU 115 3HG GLU 115 54.805 28.278 25.663 205 H LYS 116 H LYS 116 54.623 25.880 28.415 206 HA LYS 116 HA LYS 116 53.619 24.839 30.901 207 1HB LYS 116 2HB LYS 116 52.298 24.067 28.537 208 2HB LYS 116 3HB LYS 116 53.310 22.703 28.991 209 1HG LYS 116 2HG LYS 116 52.281 23.091 31.355 210 2HG LYS 116 3HG LYS 116 51.021 23.931 30.450 211 1HD LYS 116 2HD LYS 116 50.871 21.850 29.007 212 2HD LYS 116 3HD LYS 116 51.873 21.053 30.222 213 1HE LYS 116 2HE LYS 116 50.212 21.512 31.929 214 2HE LYS 116 3HE LYS 116 49.230 22.403 30.768 215 1HZ LYS 116 1HZ LYS 116 49.606 19.520 31.059 216 2HZ LYS 116 2HZ LYS 116 49.399 20.121 29.491 217 3HZ LYS 116 3HZ LYS 116 48.212 20.395 30.665 218 H VAL 117 H VAL 117 54.542 22.433 31.102 219 HA VAL 117 HA VAL 117 57.363 22.609 30.277 220 HB VAL 117 HB VAL 117 56.287 20.967 32.565 221 1HG1 VAL 117 1HG1 VAL 117 58.717 21.257 33.303 222 2HG1 VAL 117 2HG1 VAL 117 58.405 20.171 31.946 223 3HG1 VAL 117 3HG1 VAL 117 59.026 21.797 31.653 224 1HG2 VAL 117 1HG2 VAL 117 57.620 23.072 33.707 225 2HG2 VAL 117 2HG2 VAL 117 56.745 23.846 32.386 226 3HG2 VAL 117 3HG2 VAL 117 55.868 22.909 33.596 227 H LEU 118 H LEU 118 58.466 20.658 29.705 228 HA LEU 118 HA LEU 118 56.672 18.527 28.743 229 1HB LEU 118 2HB LEU 118 58.686 20.112 27.355 230 2HB LEU 118 3HB LEU 118 58.914 18.377 27.153 231 HG LEU 118 HG LEU 118 56.271 19.694 26.600 232 1HD1 LEU 118 1HD1 LEU 118 57.626 20.896 25.142 233 2HD1 LEU 118 2HD1 LEU 118 57.075 19.536 24.165 234 3HD1 LEU 118 3HD1 LEU 118 58.699 19.526 24.852 235 1HD2 LEU 118 1HD2 LEU 118 56.913 17.498 24.918 236 2HD2 LEU 118 2HD2 LEU 118 55.644 17.619 26.137 237 3HD2 LEU 118 3HD2 LEU 118 57.245 17.032 26.586 238 H CYS 119 H CYS 119 57.340 16.333 28.987 239 HA CYS 119 HA CYS 119 59.333 16.009 31.023 240 1HB CYS 119 2HB CYS 119 57.221 14.737 31.104 241 2HB CYS 119 3HB CYS 119 57.621 13.950 29.591 242 H GLN 120 H GLN 120 61.404 15.770 30.522 243 HA GLN 120 HA GLN 120 62.352 15.448 27.860 244 1HB GLN 120 2HB GLN 120 63.420 16.434 30.173 245 2HB GLN 120 3HB GLN 120 64.254 14.891 30.034 246 1HG GLN 120 2HG GLN 120 65.370 15.502 28.142 247 2HG GLN 120 3HG GLN 120 64.115 16.630 27.632 248 1HE2 GLN 120 1HE2 GLN 120 67.172 16.618 28.363 249 2HE2 GLN 120 2HE2 GLN 120 67.343 18.107 29.221 250 H PHE 121 H PHE 121 61.887 13.286 30.580 251 HA PHE 121 HA PHE 121 63.346 11.099 29.477 252 1HB PHE 121 2HB PHE 121 62.234 11.673 31.939 253 2HB PHE 121 3HB PHE 121 61.206 10.378 31.334 254 HD1 PHE 121 HD1 PHE 121 63.257 8.867 29.755 255 HD2 PHE 121 HD2 PHE 121 63.395 10.578 33.650 256 HE1 PHE 121 HE1 PHE 121 64.952 7.211 30.419 257 HE2 PHE 121 HE2 PHE 121 65.091 8.927 34.320 258 HZ PHE 121 HZ PHE 121 65.872 7.241 32.704 259 H CYS 122 H CYS 122 60.106 12.384 28.983 260 HA CYS 122 HA CYS 122 58.898 9.997 28.166 261 1HB CYS 122 2HB CYS 122 58.274 12.888 28.033 262 2HB CYS 122 3HB CYS 122 57.542 11.919 26.770 263 H ASP 123 H ASP 123 58.353 9.460 25.935 264 HA ASP 123 HA ASP 123 60.136 10.509 23.867 265 1HB ASP 123 2HB ASP 123 60.554 8.018 25.162 266 2HB ASP 123 3HB ASP 123 59.973 7.668 23.536 267 H GLN 124 H GLN 124 57.236 10.621 24.488 268 HA GLN 124 HA GLN 124 55.845 8.957 22.652 269 1HB GLN 124 2HB GLN 124 55.189 11.260 24.388 270 2HB GLN 124 3HB GLN 124 54.150 11.035 22.987 271 1HG GLN 124 2HG GLN 124 53.680 8.749 23.699 272 2HG GLN 124 3HG GLN 124 54.722 8.973 25.103 273 1HE2 GLN 124 1HE2 GLN 124 51.954 10.509 23.501 274 2HE2 GLN 124 2HE2 GLN 124 51.109 10.898 24.956 275 H ASP 125 H ASP 125 57.011 12.300 22.511 276 HA ASP 125 HA ASP 125 57.368 13.721 20.771 277 1HB ASP 125 2HB ASP 125 58.750 11.812 19.965 278 2HB ASP 125 3HB ASP 125 57.350 11.210 19.082 279 HA PRO 126 HA PRO 126 56.417 15.344 21.176 280 1HB PRO 126 2HB PRO 126 54.302 16.493 22.432 281 2HB PRO 126 3HB PRO 126 54.853 16.991 20.828 282 1HG PRO 126 2HG PRO 126 52.589 15.181 21.576 283 2HG PRO 126 3HG PRO 126 52.640 16.461 20.351 284 1HD PRO 126 2HD PRO 126 52.891 13.838 19.728 285 2HD PRO 126 3HD PRO 126 53.709 15.120 18.811 286 H ALA 127 H ALA 127 56.887 15.386 23.398 287 HA ALA 127 HA ALA 127 56.255 12.957 24.798 288 1HB ALA 127 1HB ALA 127 58.171 15.150 25.083 289 2HB ALA 127 2HB ALA 127 57.595 14.486 26.613 290 3HB ALA 127 3HB ALA 127 58.354 13.429 25.423 291 H GLN 128 H GLN 128 55.413 12.888 26.987 292 HA GLN 128 HA GLN 128 53.004 14.369 27.246 293 1HB GLN 128 2HB GLN 128 53.903 11.994 28.234 294 2HB GLN 128 3HB GLN 128 54.027 13.020 29.657 295 1HG GLN 128 2HG GLN 128 51.587 13.709 28.974 296 2HG GLN 128 3HG GLN 128 51.620 12.153 28.146 297 1HE2 GLN 128 1HE2 GLN 128 51.787 13.765 31.231 298 2HE2 GLN 128 2HE2 GLN 128 51.466 12.372 32.201 299 H ASP 129 H ASP 129 52.498 16.106 28.475 300 HA ASP 129 HA ASP 129 54.449 17.954 29.189 301 1HB ASP 129 2HB ASP 129 51.554 17.646 29.933 302 2HB ASP 129 3HB ASP 129 52.525 18.941 30.628 303 H ALA 130 H ALA 130 55.627 18.342 30.976 304 HA ALA 130 HA ALA 130 55.555 16.342 33.092 305 1HB ALA 130 1HB ALA 130 57.751 16.608 32.679 306 2HB ALA 130 2HB ALA 130 57.544 18.243 32.047 307 3HB ALA 130 3HB ALA 130 57.592 17.971 33.789 308 H VAL 131 H VAL 131 55.074 16.737 35.207 309 HA VAL 131 HA VAL 131 54.296 19.476 35.944 310 HB VAL 131 HB VAL 131 52.379 18.586 37.214 311 1HG1 VAL 131 1HG1 VAL 131 52.592 18.942 34.440 312 2HG1 VAL 131 2HG1 VAL 131 51.575 17.520 34.673 313 3HG1 VAL 131 3HG1 VAL 131 51.138 19.051 35.431 314 1HG2 VAL 131 1HG2 VAL 131 53.365 16.004 36.080 315 2HG2 VAL 131 2HG2 VAL 131 52.825 16.376 37.717 316 3HG2 VAL 131 3HG2 VAL 131 51.648 16.216 36.415 317 H LYS 132 H LYS 132 56.508 17.326 36.498 318 HA LYS 132 HA LYS 132 56.736 18.002 39.326 319 1HB LYS 132 2HB LYS 132 56.782 15.184 38.245 320 2HB LYS 132 3HB LYS 132 57.440 15.619 39.818 321 1HG LYS 132 2HG LYS 132 54.928 16.706 39.906 322 2HG LYS 132 3HG LYS 132 54.678 15.221 38.985 323 1HD LYS 132 2HD LYS 132 54.675 14.101 40.907 324 2HD LYS 132 3HD LYS 132 56.375 14.532 41.108 325 1HE LYS 132 2HE LYS 132 55.924 16.123 42.646 326 2HE LYS 132 3HE LYS 132 54.434 16.621 41.845 327 1HZ LYS 132 1HZ LYS 132 54.820 14.754 43.994 328 2HZ LYS 132 2HZ LYS 132 53.845 14.141 42.756 329 3HZ LYS 132 3HZ LYS 132 53.424 15.587 43.525 330 H THR 133 H THR 133 58.624 19.011 39.447 331 HA THR 133 HA THR 133 60.865 18.022 37.812 332 HB THR 133 HB THR 133 61.008 20.704 39.094 333 HG1 THR 133 HG1 THR 133 59.753 21.617 37.451 334 1HG2 THR 133 1HG2 THR 133 62.449 19.240 37.164 335 2HG2 THR 133 2HG2 THR 133 62.732 20.898 37.696 336 3HG2 THR 133 3HG2 THR 133 61.688 20.582 36.310 337 H CYS 134 H CYS 134 62.262 16.732 38.968 338 HA CYS 134 HA CYS 134 62.412 17.120 41.812 339 1HB CYS 134 2HB CYS 134 62.340 14.845 40.904 340 2HB CYS 134 3HB CYS 134 63.808 15.132 39.991 341 H VAL 135 H VAL 135 63.626 18.780 42.456 342 HA VAL 135 HA VAL 135 65.600 20.113 41.008 343 HB VAL 135 HB VAL 135 66.319 21.064 43.206 344 1HG1 VAL 135 1HG1 VAL 135 64.712 22.407 42.327 345 2HG1 VAL 135 2HG1 VAL 135 63.540 21.096 42.177 346 3HG1 VAL 135 3HG1 VAL 135 63.832 21.846 43.747 347 1HG2 VAL 135 1HG2 VAL 135 64.293 19.093 44.244 348 2HG2 VAL 135 2HG2 VAL 135 65.995 19.227 44.683 349 3HG2 VAL 135 3HG2 VAL 135 64.857 20.484 45.170 350 H THR 136 H THR 136 65.876 17.495 43.368 351 HA THR 136 HA THR 136 68.675 17.455 43.571 352 HB THR 136 HB THR 136 66.659 15.233 43.926 353 HG1 THR 136 HG1 THR 136 66.420 16.723 45.532 354 1HG2 THR 136 1HG2 THR 136 68.632 14.258 45.313 355 2HG2 THR 136 2HG2 THR 136 69.635 15.273 44.277 356 3HG2 THR 136 3HG2 THR 136 68.611 14.025 43.566 357 H CYS 137 H CYS 137 66.447 16.036 41.151 358 HA CYS 137 HA CYS 137 68.610 14.545 39.975 359 1HB CYS 137 2HB CYS 137 65.671 14.838 39.356 360 2HB CYS 137 3HB CYS 137 66.760 14.091 38.206 361 H GLU 138 H GLU 138 67.133 17.627 39.835 362 HA GLU 138 HA GLU 138 67.515 19.507 38.611 363 1HB GLU 138 2HB GLU 138 69.929 18.628 38.952 364 2HB GLU 138 3HB GLU 138 69.827 18.138 37.267 365 1HG GLU 138 2HG GLU 138 70.855 20.226 37.214 366 2HG GLU 138 3HG GLU 138 69.180 20.547 36.772 367 H VAL 139 H VAL 139 65.747 17.492 37.612 368 HA VAL 139 HA VAL 139 65.655 18.337 34.833 369 HB VAL 139 HB VAL 139 65.678 15.409 35.581 370 1HG1 VAL 139 1HG1 VAL 139 65.525 15.095 33.088 371 2HG1 VAL 139 2HG1 VAL 139 64.062 15.705 33.864 372 3HG1 VAL 139 3HG1 VAL 139 65.115 16.806 32.974 373 1HG2 VAL 139 1HG2 VAL 139 67.646 15.343 34.048 374 2HG2 VAL 139 2HG2 VAL 139 67.610 17.106 34.009 375 3HG2 VAL 139 3HG2 VAL 139 67.914 16.264 35.528 376 H SER 140 H SER 140 63.598 18.338 33.966 377 HA SER 140 HA SER 140 61.447 18.050 35.911 378 1HB SER 140 2HB SER 140 60.334 19.642 34.733 379 2HB SER 140 3HB SER 140 61.929 19.979 34.061 380 HG SER 140 HG SER 140 61.078 19.491 32.213 381 H TYR 141 H TYR 141 60.001 16.449 35.900 382 HA TYR 141 HA TYR 141 59.817 14.739 33.512 383 1HB TYR 141 2HB TYR 141 59.847 13.786 36.383 384 2HB TYR 141 3HB TYR 141 59.635 12.768 34.963 385 HD1 TYR 141 HD1 TYR 141 61.926 13.644 37.350 386 HD2 TYR 141 HD2 TYR 141 61.617 13.293 33.121 387 HE1 TYR 141 HE1 TYR 141 64.364 13.354 37.202 388 HE2 TYR 141 HE2 TYR 141 64.054 13.001 32.962 389 HH TYR 141 HH TYR 141 65.996 12.294 35.578 390 H CYS 142 H CYS 142 57.769 13.150 33.784 391 HA CYS 142 HA CYS 142 55.597 14.954 34.522 392 1HB CYS 142 2HB CYS 142 54.192 13.677 33.026 393 2HB CYS 142 3HB CYS 142 55.648 14.159 32.177 394 H ASP 143 H ASP 143 53.684 12.826 34.647 395 HA ASP 143 HA ASP 143 54.108 11.948 37.360 396 1HB ASP 143 2HB ASP 143 51.871 12.504 35.766 397 2HB ASP 143 3HB ASP 143 51.791 10.773 36.084 398 H GLU 144 H GLU 144 53.129 10.162 34.427 399 HA GLU 144 HA GLU 144 53.487 7.608 35.269 400 1HB GLU 144 2HB GLU 144 54.285 8.701 32.565 401 2HB GLU 144 3HB GLU 144 54.008 7.004 32.932 402 1HG GLU 144 2HG GLU 144 51.835 8.940 33.515 403 2HG GLU 144 3HG GLU 144 52.149 8.509 31.836 404 H CYS 145 H CYS 145 56.116 9.498 33.585 405 HA CYS 145 HA CYS 145 58.087 7.657 33.920 406 1HB CYS 145 2HB CYS 145 58.184 10.678 33.830 407 2HB CYS 145 3HB CYS 145 59.643 9.714 33.944 408 H LEU 146 H LEU 146 57.276 10.404 36.044 409 HA LEU 146 HA LEU 146 59.050 9.994 38.103 410 1HB LEU 146 2HB LEU 146 57.635 11.946 37.986 411 2HB LEU 146 3HB LEU 146 56.198 10.958 38.242 412 HG LEU 146 HG LEU 146 57.584 10.390 40.491 413 1HD1 LEU 146 1HD1 LEU 146 58.630 12.936 39.438 414 2HD1 LEU 146 2HD1 LEU 146 59.362 11.774 40.544 415 3HD1 LEU 146 3HD1 LEU 146 58.168 12.929 41.140 416 1HD2 LEU 146 1HD2 LEU 146 55.494 12.370 39.776 417 2HD2 LEU 146 2HD2 LEU 146 56.198 12.469 41.390 418 3HD2 LEU 146 3HD2 LEU 146 55.417 10.979 40.858 419 H LYS 147 H LYS 147 56.167 8.207 37.335 420 HA LYS 147 HA LYS 147 55.870 6.904 39.846 421 1HB LYS 147 2HB LYS 147 54.229 7.141 37.788 422 2HB LYS 147 3HB LYS 147 54.967 5.621 37.302 423 1HG LYS 147 2HG LYS 147 54.398 4.914 39.758 424 2HG LYS 147 3HG LYS 147 53.218 6.222 39.633 425 1HD LYS 147 2HD LYS 147 51.979 4.430 38.890 426 2HD LYS 147 3HD LYS 147 52.615 5.057 37.368 427 1HE LYS 147 2HE LYS 147 52.981 2.755 37.230 428 2HE LYS 147 3HE LYS 147 54.545 3.407 37.718 429 1HZ LYS 147 1HZ LYS 147 53.223 1.398 38.961 430 2HZ LYS 147 2HZ LYS 147 52.848 2.729 39.935 431 3HZ LYS 147 3HZ LYS 147 54.464 2.321 39.648 432 H ALA 148 H ALA 148 57.533 6.086 36.837 433 HA ALA 148 HA ALA 148 58.380 3.508 37.807 434 1HB ALA 148 1HB ALA 148 58.611 3.129 35.636 435 2HB ALA 148 2HB ALA 148 58.274 4.826 35.291 436 3HB ALA 148 3HB ALA 148 59.932 4.297 35.574 437 H THR 149 H THR 149 60.026 6.569 37.021 438 HA THR 149 HA THR 149 62.560 5.741 37.981 439 HB THR 149 HB THR 149 61.531 8.567 37.669 440 HG1 THR 149 HG1 THR 149 63.051 7.044 35.808 441 1HG2 THR 149 1HG2 THR 149 64.341 8.114 37.145 442 2HG2 THR 149 2HG2 THR 149 63.907 7.644 38.789 443 3HG2 THR 149 3HG2 THR 149 63.572 9.279 38.222 444 H HIS 150 H HIS 150 59.986 7.730 39.412 445 HA HIS 150 HA HIS 150 61.324 7.442 42.021 446 1HB HIS 150 2HB HIS 150 59.451 9.595 41.021 447 2HB HIS 150 3HB HIS 150 59.991 9.459 42.692 448 HD2 HIS 150 HD2 HIS 150 61.076 12.118 41.930 449 HE1 HIS 150 HE1 HIS 150 64.485 10.329 40.148 450 HA PRO 151 HA PRO 151 57.435 4.917 42.195 451 1HB PRO 151 2HB PRO 151 58.583 2.815 43.475 452 2HB PRO 151 3HB PRO 151 58.586 2.987 41.716 453 1HG PRO 151 2HG PRO 151 60.746 3.630 43.686 454 2HG PRO 151 3HG PRO 151 60.872 2.823 42.111 455 1HD PRO 151 2HD PRO 151 61.492 5.436 42.463 456 2HD PRO 151 3HD PRO 151 60.812 4.812 40.947 457 H ASN 152 H ASN 152 56.252 5.922 43.727 458 HA ASN 152 HA ASN 152 56.657 5.229 46.476 459 1HB ASN 152 2HB ASN 152 57.085 7.367 47.402 460 2HB ASN 152 3HB ASN 152 58.223 7.204 46.068 461 1HD2 ASN 152 1HD2 ASN 152 58.003 8.486 44.267 462 2HD2 ASN 152 2HD2 ASN 152 56.935 9.842 44.207 463 H LYS 153 H LYS 153 55.022 6.690 47.846 464 HA LYS 153 HA LYS 153 52.521 6.847 46.293 465 1HB LYS 153 2HB LYS 153 53.050 5.685 49.013 466 2HB LYS 153 3HB LYS 153 51.445 6.249 48.572 467 1HG LYS 153 2HG LYS 153 52.722 4.448 46.631 468 2HG LYS 153 3HG LYS 153 52.326 3.731 48.195 469 1HD LYS 153 2HD LYS 153 50.147 3.696 47.716 470 2HD LYS 153 3HD LYS 153 50.165 5.384 47.198 471 1HE LYS 153 2HE LYS 153 50.537 4.846 45.001 472 2HE LYS 153 3HE LYS 153 51.351 3.332 45.396 473 1HZ LYS 153 1HZ LYS 153 48.568 3.423 46.157 474 2HZ LYS 153 2HZ LYS 153 49.435 2.208 45.361 475 3HZ LYS 153 3HZ LYS 153 48.829 3.523 44.488 476 H LYS 154 H LYS 154 53.305 7.673 49.653 477 HA LYS 154 HA LYS 154 53.517 10.441 49.334 478 1HB LYS 154 2HB LYS 154 50.790 9.412 49.303 479 2HB LYS 154 3HB LYS 154 51.048 10.575 50.597 480 1HG LYS 154 2HG LYS 154 52.214 11.884 48.559 481 2HG LYS 154 3HG LYS 154 50.990 10.965 47.679 482 1HD LYS 154 2HD LYS 154 49.293 11.835 49.300 483 2HD LYS 154 3HD LYS 154 50.550 12.879 49.968 484 1HE LYS 154 2HE LYS 154 49.677 14.336 48.463 485 2HE LYS 154 3HE LYS 154 50.814 13.517 47.393 486 1HZ LYS 154 1HZ LYS 154 48.425 13.803 46.600 487 2HZ LYS 154 2HZ LYS 154 48.032 12.567 47.686 488 3HZ LYS 154 3HZ LYS 154 49.123 12.272 46.427 489 HA PRO 155 HA PRO 155 52.501 12.242 50.724 490 1HB PRO 155 2HB PRO 155 54.167 13.929 52.046 491 2HB PRO 155 3HB PRO 155 52.610 13.409 52.701 492 1HG PRO 155 2HG PRO 155 55.357 12.385 53.305 493 2HG PRO 155 3HG PRO 155 54.021 12.728 54.419 494 1HD PRO 155 2HD PRO 155 54.621 10.221 53.591 495 2HD PRO 155 3HD PRO 155 52.962 10.733 53.963 496 H PHE 156 H PHE 156 55.885 11.507 51.571 497 HA PHE 156 HA PHE 156 56.693 11.612 48.824 498 1HB PHE 156 2HB PHE 156 57.168 13.930 50.624 499 2HB PHE 156 3HB PHE 156 58.501 13.436 49.585 500 HD1 PHE 156 HD1 PHE 156 55.875 15.625 49.809 501 HD2 PHE 156 HD2 PHE 156 57.615 12.872 47.070 502 HE1 PHE 156 HE1 PHE 156 54.864 16.856 47.934 503 HE2 PHE 156 HE2 PHE 156 56.608 14.099 45.190 504 HZ PHE 156 HZ PHE 156 55.231 16.094 45.621 505 H THR 157 H THR 157 57.063 9.433 49.917 506 HA THR 157 HA THR 157 59.470 9.313 51.550 507 HB THR 157 HB THR 157 57.613 7.852 52.170 508 HG1 THR 157 HG1 THR 157 59.735 6.288 51.088 509 1HG2 THR 157 1HG2 THR 157 56.370 6.880 50.598 510 2HG2 THR 157 2HG2 THR 157 57.733 5.835 50.199 511 3HG2 THR 157 3HG2 THR 157 57.516 7.365 49.350 512 H GLY 158 H GLY 158 60.069 10.341 49.091 513 1HA GLY 158 2HA GLY 158 61.838 8.270 48.049 514 2HA GLY 158 3HA GLY 158 60.684 8.952 46.912 515 H HIS 159 H HIS 159 61.025 10.969 46.066 516 HA HIS 159 HA HIS 159 63.610 12.202 46.748 517 1HB HIS 159 2HB HIS 159 62.368 11.528 44.228 518 2HB HIS 159 3HB HIS 159 62.719 13.252 44.298 519 HD2 HIS 159 HD2 HIS 159 65.620 12.937 45.925 520 HE1 HIS 159 HE1 HIS 159 66.701 10.692 42.491 521 H ARG 160 H ARG 160 63.490 14.652 45.816 522 HA ARG 160 HA ARG 160 61.293 15.879 47.331 523 1HB ARG 160 2HB ARG 160 63.995 16.974 46.531 524 2HB ARG 160 3HB ARG 160 62.757 17.898 47.370 525 1HG ARG 160 2HG ARG 160 63.524 17.160 49.305 526 2HG ARG 160 3HG ARG 160 63.157 15.503 48.820 527 1HD ARG 160 2HD ARG 160 65.441 15.879 47.460 528 2HD ARG 160 3HD ARG 160 65.726 16.963 48.819 529 HE ARG 160 HE ARG 160 64.826 14.334 49.574 530 1HH1 ARG 160 2HH1 ARG 160 67.577 16.340 48.848 531 2HH1 ARG 160 1HH1 ARG 160 68.692 15.359 49.739 532 1HH2 ARG 160 2HH2 ARG 160 66.284 13.035 50.752 533 2HH2 ARG 160 1HH2 ARG 160 67.956 13.479 50.822 534 H LEU 161 H LEU 161 61.103 18.347 46.409 535 HA LEU 161 HA LEU 161 60.963 18.371 43.512 536 1HB LEU 161 2HB LEU 161 58.734 17.592 45.010 537 2HB LEU 161 3HB LEU 161 58.424 19.263 44.542 538 HG LEU 161 HG LEU 161 59.175 18.261 42.165 539 1HD1 LEU 161 1HD1 LEU 161 58.187 16.055 41.867 540 2HD1 LEU 161 2HD1 LEU 161 57.824 15.973 43.590 541 3HD1 LEU 161 3HD1 LEU 161 59.501 16.004 43.043 542 1HD2 LEU 161 1HD2 LEU 161 56.486 18.341 43.495 543 2HD2 LEU 161 2HD2 LEU 161 56.670 17.874 41.805 544 3HD2 LEU 161 3HD2 LEU 161 57.183 19.475 42.338 545 H ILE 162 H ILE 162 59.430 20.568 43.090 546 HA ILE 162 HA ILE 162 61.115 22.697 43.575 547 HB ILE 162 HB ILE 162 58.125 22.849 43.180 548 1HG1 ILE 162 2HG1 ILE 162 59.210 21.568 41.403 549 2HG1 ILE 162 3HG1 ILE 162 58.679 23.132 40.793 550 1HG2 ILE 162 1HG2 ILE 162 60.319 24.883 43.036 551 2HG2 ILE 162 2HG2 ILE 162 58.837 25.078 42.101 552 3HG2 ILE 162 3HG2 ILE 162 58.763 24.979 43.861 553 1HD1 ILE 162 1HD1 ILE 162 61.289 23.547 41.660 554 2HD1 ILE 162 2HD1 ILE 162 61.311 21.981 40.848 555 3HD1 ILE 162 3HD1 ILE 162 60.722 23.407 39.996 556 H GLU 163 H GLU 163 61.648 23.762 45.355 557 HA GLU 163 HA GLU 163 61.636 24.549 47.491 558 1HB GLU 163 2HB GLU 163 58.828 24.983 46.556 559 2HB GLU 163 3HB GLU 163 59.224 25.304 48.239 560 1HG GLU 163 2HG GLU 163 61.235 26.610 46.983 561 2HG GLU 163 3HG GLU 163 59.929 26.791 45.813 562 HA PRO 164 HA PRO 164 60.238 20.435 49.136 563 1HB PRO 164 2HB PRO 164 62.635 19.800 50.240 564 2HB PRO 164 3HB PRO 164 62.228 19.444 48.558 565 1HG PRO 164 2HG PRO 164 63.834 21.707 49.679 566 2HG PRO 164 3HG PRO 164 64.155 20.709 48.250 567 1HD PRO 164 2HD PRO 164 63.083 23.191 48.083 568 2HD PRO 164 3HD PRO 164 62.683 21.899 46.933 Start of MODEL 8 1 1H GLN 87 H GLN 87 52.278 40.824 68.582 2 HA GLN 87 HA GLN 87 53.915 38.677 68.527 3 1HB GLN 87 2HB GLN 87 51.750 38.244 70.443 4 2HB GLN 87 3HB GLN 87 51.855 36.978 69.226 5 1HG GLN 87 2HG GLN 87 53.822 36.196 70.004 6 2HG GLN 87 3HG GLN 87 54.394 37.794 70.481 7 1HE2 GLN 87 1HE2 GLN 87 53.690 38.665 72.473 8 2HE2 GLN 87 2HE2 GLN 87 53.134 37.637 73.745 9 H LYS 88 H LYS 88 53.774 37.801 66.554 10 HA LYS 88 HA LYS 88 53.033 37.381 64.445 11 1HB LYS 88 2HB LYS 88 51.146 36.308 66.214 12 2HB LYS 88 3HB LYS 88 50.199 37.152 64.995 13 1HG LYS 88 2HG LYS 88 51.693 35.894 63.302 14 2HG LYS 88 3HG LYS 88 52.063 34.840 64.669 15 1HD LYS 88 2HD LYS 88 50.107 33.795 64.470 16 2HD LYS 88 3HD LYS 88 49.229 35.325 64.499 17 1HE LYS 88 2HE LYS 88 48.767 34.136 62.438 18 2HE LYS 88 3HE LYS 88 49.678 35.607 62.099 19 1HZ LYS 88 1HZ LYS 88 51.179 34.375 61.068 20 2HZ LYS 88 2HZ LYS 88 50.337 32.958 61.446 21 3HZ LYS 88 3HZ LYS 88 51.515 33.551 62.507 22 H ALA 89 H ALA 89 50.943 37.989 62.929 23 HA ALA 89 HA ALA 89 49.922 40.628 63.376 24 1HB ALA 89 1HB ALA 89 52.404 40.830 62.580 25 2HB ALA 89 2HB ALA 89 51.713 40.487 60.994 26 3HB ALA 89 3HB ALA 89 51.164 41.891 61.910 27 H SER 90 H SER 90 48.086 40.912 62.253 28 HA SER 90 HA SER 90 47.436 38.905 60.205 29 1HB SER 90 2HB SER 90 45.072 39.449 60.688 30 2HB SER 90 3HB SER 90 45.930 38.908 62.131 31 HG SER 90 HG SER 90 45.136 41.523 61.423 32 H VAL 91 H VAL 91 48.741 40.263 58.713 33 HA VAL 91 HA VAL 91 47.663 42.824 57.940 34 HB VAL 91 HB VAL 91 49.737 41.159 56.507 35 1HG1 VAL 91 1HG1 VAL 91 48.811 42.880 55.098 36 2HG1 VAL 91 2HG1 VAL 91 49.036 44.088 56.365 37 3HG1 VAL 91 3HG1 VAL 91 50.437 43.349 55.590 38 1HG2 VAL 91 1HG2 VAL 91 50.395 41.598 58.828 39 2HG2 VAL 91 2HG2 VAL 91 51.407 42.483 57.686 40 3HG2 VAL 91 3HG2 VAL 91 50.135 43.324 58.572 41 H SER 92 H SER 92 46.215 43.228 56.389 42 HA SER 92 HA SER 92 45.752 41.345 54.238 43 1HB SER 92 2HB SER 92 43.724 41.875 56.398 44 2HB SER 92 3HB SER 92 43.221 41.419 54.771 45 HG SER 92 HG SER 92 44.233 39.481 54.996 46 H GLY 93 H GLY 93 44.542 42.230 52.501 47 1HA GLY 93 2HA GLY 93 44.100 45.145 52.698 48 2HA GLY 93 3HA GLY 93 44.902 44.420 51.312 49 HA PRO 94 HA PRO 94 40.264 43.024 51.126 50 1HB PRO 94 2HB PRO 94 38.560 44.318 52.797 51 2HB PRO 94 3HB PRO 94 39.384 42.817 53.237 52 1HG PRO 94 2HG PRO 94 40.083 45.639 53.949 53 2HG PRO 94 3HG PRO 94 40.093 44.192 54.973 54 1HD PRO 94 2HD PRO 94 42.348 45.222 53.886 55 2HD PRO 94 3HD PRO 94 42.134 43.483 54.169 56 H ASN 95 H ASN 95 40.342 44.104 49.160 57 HA ASN 95 HA ASN 95 38.802 46.568 49.049 58 1HB ASN 95 2HB ASN 95 41.647 46.563 48.802 59 2HB ASN 95 3HB ASN 95 40.958 46.936 47.225 60 1HD2 ASN 95 1HD2 ASN 95 40.832 47.836 50.634 61 2HD2 ASN 95 2HD2 ASN 95 40.439 49.497 50.364 62 H SER 96 H SER 96 37.902 46.994 46.984 63 HA SER 96 HA SER 96 37.718 44.592 45.316 64 1HB SER 96 2HB SER 96 35.878 46.751 46.056 65 2HB SER 96 3HB SER 96 35.843 46.360 44.336 66 HG SER 96 HG SER 96 34.387 45.089 45.625 67 HA PRO 97 HA PRO 97 39.828 46.300 41.870 68 1HB PRO 97 2HB PRO 97 38.331 45.435 39.778 69 2HB PRO 97 3HB PRO 97 39.353 44.359 40.737 70 1HG PRO 97 2HG PRO 97 36.401 44.823 40.913 71 2HG PRO 97 3HG PRO 97 37.299 43.296 40.985 72 1HD PRO 97 2HD PRO 97 36.370 44.546 43.200 73 2HD PRO 97 3HD PRO 97 37.866 43.589 43.200 74 H SER 98 H SER 98 39.935 48.254 40.948 75 HA SER 98 HA SER 98 37.580 49.939 40.929 76 1HB SER 98 2HB SER 98 39.123 51.752 40.391 77 2HB SER 98 3HB SER 98 39.759 50.804 41.737 78 HG SER 98 HG SER 98 40.832 51.251 39.293 79 H GLU 99 H GLU 99 36.402 50.481 39.202 80 HA GLU 99 HA GLU 99 37.448 49.794 36.535 81 1HB GLU 99 2HB GLU 99 35.011 49.325 35.939 82 2HB GLU 99 3HB GLU 99 35.829 48.133 36.939 83 1HG GLU 99 2HG GLU 99 34.473 50.194 38.486 84 2HG GLU 99 3HG GLU 99 33.390 49.261 37.454 85 H THR 100 H THR 100 37.900 51.713 35.649 86 HA THR 100 HA THR 100 35.752 53.721 35.581 87 HB THR 100 HB THR 100 38.636 54.558 35.695 88 HG1 THR 100 HG1 THR 100 38.593 53.783 37.682 89 1HG2 THR 100 1HG2 THR 100 36.703 56.078 34.968 90 2HG2 THR 100 2HG2 THR 100 37.788 56.684 36.219 91 3HG2 THR 100 3HG2 THR 100 36.207 56.040 36.659 92 H ARG 101 H ARG 101 38.770 52.574 34.112 93 HA ARG 101 HA ARG 101 38.350 54.034 31.677 94 1HB ARG 101 2HB ARG 101 40.505 52.729 32.880 95 2HB ARG 101 3HB ARG 101 40.166 51.784 31.437 96 1HG ARG 101 2HG ARG 101 41.190 53.289 30.184 97 2HG ARG 101 3HG ARG 101 40.090 54.546 30.753 98 1HD ARG 101 2HD ARG 101 42.301 53.710 32.551 99 2HD ARG 101 3HD ARG 101 42.712 54.681 31.138 100 HE ARG 101 HE ARG 101 40.577 55.934 32.393 101 1HH1 ARG 101 2HH1 ARG 101 43.884 55.113 33.108 102 2HH1 ARG 101 1HH1 ARG 101 44.123 56.455 34.177 103 1HH2 ARG 101 2HH2 ARG 101 40.879 57.706 33.798 104 2HH2 ARG 101 1HH2 ARG 101 42.413 57.929 34.569 105 H ARG 102 H ARG 102 37.628 53.288 29.714 106 HA ARG 102 HA ARG 102 35.819 51.066 29.787 107 1HB ARG 102 2HB ARG 102 35.283 51.676 27.492 108 2HB ARG 102 3HB ARG 102 35.316 53.110 28.510 109 1HG ARG 102 2HG ARG 102 37.902 52.913 27.535 110 2HG ARG 102 3HG ARG 102 36.880 52.469 26.167 111 1HD ARG 102 2HD ARG 102 36.241 54.880 27.820 112 2HD ARG 102 3HD ARG 102 37.475 54.963 26.563 113 HE ARG 102 HE ARG 102 35.275 53.845 25.357 114 1HH1 ARG 102 2HH1 ARG 102 35.986 56.814 27.031 115 2HH1 ARG 102 1HH1 ARG 102 34.827 57.745 26.143 116 1HH2 ARG 102 2HH2 ARG 102 33.746 55.062 24.180 117 2HH2 ARG 102 1HH2 ARG 102 33.553 56.748 24.521 118 H GLU 103 H GLU 103 35.842 49.371 28.076 119 HA GLU 103 HA GLU 103 38.292 47.946 28.154 120 1HB GLU 103 2HB GLU 103 35.630 47.334 27.613 121 2HB GLU 103 3HB GLU 103 36.457 47.033 26.091 122 1HG GLU 103 2HG GLU 103 38.141 45.715 27.541 123 2HG GLU 103 3HG GLU 103 36.854 45.722 28.745 124 H ARG 104 H ARG 104 40.029 48.376 26.980 125 HA ARG 104 HA ARG 104 39.678 49.533 24.297 126 1HB ARG 104 2HB ARG 104 40.953 50.937 25.847 127 2HB ARG 104 3HB ARG 104 42.076 49.615 26.135 128 1HG ARG 104 2HG ARG 104 42.037 49.960 23.365 129 2HG ARG 104 3HG ARG 104 42.068 51.587 24.048 130 1HD ARG 104 2HD ARG 104 43.932 49.410 24.959 131 2HD ARG 104 3HD ARG 104 44.314 50.481 23.610 132 HE ARG 104 HE ARG 104 43.573 51.926 25.957 133 1HH1 ARG 104 2HH1 ARG 104 46.194 50.237 24.409 134 2HH1 ARG 104 1HH1 ARG 104 47.429 51.124 25.240 135 1HH2 ARG 104 2HH2 ARG 104 45.190 53.102 27.056 136 2HH2 ARG 104 1HH2 ARG 104 46.857 52.753 26.745 137 H ALA 105 H ALA 105 42.024 47.457 26.010 138 HA ALA 105 HA ALA 105 42.997 46.242 23.646 139 1HB ALA 105 1HB ALA 105 44.108 44.659 25.157 140 2HB ALA 105 2HB ALA 105 44.332 46.331 25.671 141 3HB ALA 105 3HB ALA 105 43.170 45.301 26.505 142 H PHE 106 H PHE 106 41.861 44.948 22.365 143 HA PHE 106 HA PHE 106 40.577 42.604 23.406 144 1HB PHE 106 2HB PHE 106 38.773 44.195 23.782 145 2HB PHE 106 3HB PHE 106 38.886 44.756 22.117 146 HD1 PHE 106 HD1 PHE 106 37.552 43.804 20.485 147 HD2 PHE 106 HD2 PHE 106 38.211 41.701 24.127 148 HE1 PHE 106 HE1 PHE 106 35.903 42.110 19.803 149 HE2 PHE 106 HE2 PHE 106 36.565 40.004 23.450 150 HZ PHE 106 HZ PHE 106 35.409 40.206 21.285 151 H ASP 107 H ASP 107 40.023 44.565 20.487 152 HA ASP 107 HA ASP 107 40.476 44.182 18.287 153 1HB ASP 107 2HB ASP 107 42.626 42.895 19.674 154 2HB ASP 107 3HB ASP 107 42.156 41.895 18.302 155 H ALA 108 H ALA 108 40.826 40.863 19.509 156 HA ALA 108 HA ALA 108 38.209 40.024 18.887 157 1HB ALA 108 1HB ALA 108 40.227 39.830 16.708 158 2HB ALA 108 2HB ALA 108 39.064 38.519 16.906 159 3HB ALA 108 3HB ALA 108 38.498 40.164 16.622 160 H ASN 109 H ASN 109 41.336 38.464 18.197 161 HA ASN 109 HA ASN 109 40.878 36.688 20.495 162 1HB ASN 109 2HB ASN 109 41.306 35.970 17.636 163 2HB ASN 109 3HB ASN 109 42.081 34.959 18.852 164 1HD2 ASN 109 1HD2 ASN 109 39.657 34.802 16.930 165 2HD2 ASN 109 2HD2 ASN 109 38.430 34.096 17.921 166 H THR 110 H THR 110 42.402 38.284 21.433 167 HA THR 110 HA THR 110 45.013 38.685 20.565 168 HB THR 110 HB THR 110 45.174 38.622 23.363 169 HG1 THR 110 HG1 THR 110 43.164 38.755 23.997 170 1HG2 THR 110 1HG2 THR 110 45.894 40.347 21.563 171 2HG2 THR 110 2HG2 THR 110 45.458 40.923 23.171 172 3HG2 THR 110 3HG2 THR 110 44.304 41.055 21.844 173 H MET 111 H MET 111 46.896 37.579 20.735 174 HA MET 111 HA MET 111 46.710 34.806 21.639 175 1HB MET 111 2HB MET 111 48.436 36.291 19.729 176 2HB MET 111 3HB MET 111 49.154 34.916 20.554 177 1HG MET 111 2HG MET 111 47.257 33.524 19.756 178 2HG MET 111 3HG MET 111 46.700 34.907 18.818 179 1HE MET 111 1HE MET 111 47.358 33.180 16.061 180 2HE MET 111 2HE MET 111 48.215 31.857 16.851 181 3HE MET 111 3HE MET 111 46.772 32.545 17.599 182 H THR 112 H THR 112 48.128 33.901 23.128 183 HA THR 112 HA THR 112 49.819 35.785 24.631 184 HB THR 112 HB THR 112 49.169 34.679 26.735 185 HG1 THR 112 HG1 THR 112 47.154 33.372 26.543 186 1HG2 THR 112 1HG2 THR 112 46.853 35.581 26.866 187 2HG2 THR 112 2HG2 THR 112 46.885 35.815 25.118 188 3HG2 THR 112 3HG2 THR 112 48.003 36.707 26.149 189 H SER 113 H SER 113 51.819 35.104 24.146 190 HA SER 113 HA SER 113 52.531 32.452 23.523 191 1HB SER 113 2HB SER 113 53.774 34.887 23.331 192 2HB SER 113 3HB SER 113 54.687 34.120 24.630 193 HG SER 113 HG SER 113 54.156 32.902 22.122 194 H ALA 114 H ALA 114 52.036 30.927 25.015 195 HA ALA 114 HA ALA 114 53.263 31.222 27.680 196 1HB ALA 114 1HB ALA 114 51.161 31.072 28.432 197 2HB ALA 114 2HB ALA 114 50.554 30.446 26.898 198 3HB ALA 114 3HB ALA 114 51.310 29.354 28.059 199 H GLU 115 H GLU 115 54.969 29.934 27.868 200 HA GLU 115 HA GLU 115 55.184 27.532 26.245 201 1HB GLU 115 2HB GLU 115 57.041 29.293 27.688 202 2HB GLU 115 3HB GLU 115 57.441 27.585 27.792 203 1HG GLU 115 2HG GLU 115 57.447 27.425 25.363 204 2HG GLU 115 3HG GLU 115 57.016 29.130 25.244 205 H LYS 116 H LYS 116 55.378 25.454 27.042 206 HA LYS 116 HA LYS 116 54.531 25.105 29.842 207 1HB LYS 116 2HB LYS 116 53.788 23.751 27.321 208 2HB LYS 116 3HB LYS 116 54.009 22.698 28.712 209 1HG LYS 116 2HG LYS 116 52.227 23.591 29.847 210 2HG LYS 116 3HG LYS 116 52.322 25.136 28.998 211 1HD LYS 116 2HD LYS 116 51.744 23.557 26.923 212 2HD LYS 116 3HD LYS 116 50.996 22.604 28.207 213 1HE LYS 116 2HE LYS 116 49.715 24.574 28.907 214 2HE LYS 116 3HE LYS 116 50.457 25.514 27.613 215 1HZ LYS 116 1HZ LYS 116 49.122 23.038 26.848 216 2HZ LYS 116 2HZ LYS 116 49.192 24.523 26.043 217 3HZ LYS 116 3HZ LYS 116 48.128 24.315 27.341 218 H VAL 117 H VAL 117 55.186 22.828 30.675 219 HA VAL 117 HA VAL 117 58.060 22.505 30.127 220 HB VAL 117 HB VAL 117 56.480 21.778 32.597 221 1HG1 VAL 117 1HG1 VAL 117 59.424 21.479 32.012 222 2HG1 VAL 117 2HG1 VAL 117 58.664 21.224 33.585 223 3HG1 VAL 117 3HG1 VAL 117 58.259 20.173 32.228 224 1HG2 VAL 117 1HG2 VAL 117 57.817 24.183 31.752 225 2HG2 VAL 117 2HG2 VAL 117 56.831 23.894 33.185 226 3HG2 VAL 117 3HG2 VAL 117 58.557 23.539 33.217 227 H LEU 118 H LEU 118 57.858 21.069 28.390 228 HA LEU 118 HA LEU 118 56.299 18.683 28.550 229 1HB LEU 118 2HB LEU 118 57.867 20.052 26.594 230 2HB LEU 118 3HB LEU 118 58.366 18.363 26.649 231 HG LEU 118 HG LEU 118 55.471 19.088 26.397 232 1HD1 LEU 118 1HD1 LEU 118 57.299 20.026 24.598 233 2HD1 LEU 118 2HD1 LEU 118 55.608 19.672 24.244 234 3HD1 LEU 118 3HD1 LEU 118 56.851 18.470 23.898 235 1HD2 LEU 118 1HD2 LEU 118 56.071 16.859 24.884 236 2HD2 LEU 118 2HD2 LEU 118 55.361 16.864 26.499 237 3HD2 LEU 118 3HD2 LEU 118 57.106 16.690 26.303 238 H CYS 119 H CYS 119 56.841 16.610 29.252 239 HA CYS 119 HA CYS 119 58.976 16.335 30.979 240 1HB CYS 119 2HB CYS 119 56.928 14.909 30.952 241 2HB CYS 119 3HB CYS 119 57.515 14.121 29.501 242 H GLN 120 H GLN 120 61.045 16.451 30.419 243 HA GLN 120 HA GLN 120 62.020 16.077 27.775 244 1HB GLN 120 2HB GLN 120 63.272 16.605 30.440 245 2HB GLN 120 3HB GLN 120 64.293 16.121 29.093 246 1HG GLN 120 2HG GLN 120 63.278 18.021 27.791 247 2HG GLN 120 3HG GLN 120 62.552 18.559 29.305 248 1HE2 GLN 120 1HE2 GLN 120 63.700 20.481 29.306 249 2HE2 GLN 120 2HE2 GLN 120 65.393 20.548 29.642 250 H PHE 121 H PHE 121 61.697 14.021 30.558 251 HA PHE 121 HA PHE 121 63.509 12.000 29.637 252 1HB PHE 121 2HB PHE 121 62.878 12.391 32.049 253 2HB PHE 121 3HB PHE 121 61.305 11.693 31.679 254 HD1 PHE 121 HD1 PHE 121 64.751 11.035 32.464 255 HD2 PHE 121 HD2 PHE 121 61.176 9.312 30.923 256 HE1 PHE 121 HE1 PHE 121 65.658 8.786 32.883 257 HE2 PHE 121 HE2 PHE 121 62.077 7.061 31.339 258 HZ PHE 121 HZ PHE 121 64.321 6.796 32.321 259 H CYS 122 H CYS 122 60.092 12.764 29.118 260 HA CYS 122 HA CYS 122 59.201 10.235 28.439 261 1HB CYS 122 2HB CYS 122 58.293 13.013 28.028 262 2HB CYS 122 3HB CYS 122 57.741 11.893 26.800 263 H ASP 123 H ASP 123 58.780 9.443 26.249 264 HA ASP 123 HA ASP 123 60.533 10.448 24.138 265 1HB ASP 123 2HB ASP 123 61.136 8.143 25.695 266 2HB ASP 123 3HB ASP 123 60.687 7.596 24.082 267 H GLN 124 H GLN 124 57.607 10.282 24.692 268 HA GLN 124 HA GLN 124 56.481 8.316 22.976 269 1HB GLN 124 2HB GLN 124 55.500 10.676 24.474 270 2HB GLN 124 3HB GLN 124 54.536 10.176 23.090 271 1HG GLN 124 2HG GLN 124 53.970 8.161 24.035 272 2HG GLN 124 3HG GLN 124 55.377 8.141 25.095 273 1HE2 GLN 124 1HE2 GLN 124 54.942 8.464 27.145 274 2HE2 GLN 124 2HE2 GLN 124 53.619 9.375 27.781 275 H ASP 125 H ASP 125 57.044 11.809 22.587 276 HA ASP 125 HA ASP 125 57.307 13.108 20.739 277 1HB ASP 125 2HB ASP 125 58.893 11.086 20.224 278 2HB ASP 125 3HB ASP 125 57.673 10.682 19.018 279 HA PRO 126 HA PRO 126 56.100 14.591 20.930 280 1HB PRO 126 2HB PRO 126 53.767 15.496 21.983 281 2HB PRO 126 3HB PRO 126 54.318 15.924 20.358 282 1HG PRO 126 2HG PRO 126 52.329 13.850 21.200 283 2HG PRO 126 3HG PRO 126 52.243 15.002 19.853 284 1HD PRO 126 2HD PRO 126 52.936 12.406 19.511 285 2HD PRO 126 3HD PRO 126 53.591 13.710 18.500 286 H ALA 127 H ALA 127 56.366 14.965 23.175 287 HA ALA 127 HA ALA 127 55.991 12.589 24.789 288 1HB ALA 127 1HB ALA 127 58.102 13.428 25.137 289 2HB ALA 127 2HB ALA 127 57.565 15.107 25.069 290 3HB ALA 127 3HB ALA 127 57.229 14.130 26.499 291 H GLN 128 H GLN 128 55.570 13.255 27.270 292 HA GLN 128 HA GLN 128 52.892 14.425 27.247 293 1HB GLN 128 2HB GLN 128 53.960 12.184 28.496 294 2HB GLN 128 3HB GLN 128 53.796 13.355 29.798 295 1HG GLN 128 2HG GLN 128 51.426 13.675 29.130 296 2HG GLN 128 3HG GLN 128 51.627 12.370 27.962 297 1HE2 GLN 128 1HE2 GLN 128 52.138 13.063 31.402 298 2HE2 GLN 128 2HE2 GLN 128 51.627 11.513 31.966 299 H ASP 129 H ASP 129 52.282 15.689 29.258 300 HA ASP 129 HA ASP 129 54.135 17.886 29.518 301 1HB ASP 129 2HB ASP 129 51.303 17.468 29.880 302 2HB ASP 129 3HB ASP 129 51.985 18.273 31.290 303 H ALA 130 H ALA 130 55.189 18.557 31.356 304 HA ALA 130 HA ALA 130 55.614 16.500 33.370 305 1HB ALA 130 1HB ALA 130 57.058 19.056 33.604 306 2HB ALA 130 2HB ALA 130 57.655 17.398 33.694 307 3HB ALA 130 3HB ALA 130 57.351 18.142 32.124 308 H VAL 131 H VAL 131 55.128 16.683 35.514 309 HA VAL 131 HA VAL 131 53.796 19.150 36.408 310 HB VAL 131 HB VAL 131 52.158 17.804 37.668 311 1HG1 VAL 131 1HG1 VAL 131 51.267 18.616 35.687 312 2HG1 VAL 131 2HG1 VAL 131 52.302 17.596 34.685 313 3HG1 VAL 131 3HG1 VAL 131 50.951 16.886 35.569 314 1HG2 VAL 131 1HG2 VAL 131 52.476 15.358 36.153 315 2HG2 VAL 131 2HG2 VAL 131 53.893 15.701 37.146 316 3HG2 VAL 131 3HG2 VAL 131 52.299 15.591 37.892 317 H LYS 132 H LYS 132 56.367 17.272 36.825 318 HA LYS 132 HA LYS 132 56.630 18.015 39.633 319 1HB LYS 132 2HB LYS 132 56.614 15.230 38.582 320 2HB LYS 132 3HB LYS 132 57.780 15.619 39.840 321 1HG LYS 132 2HG LYS 132 56.095 15.016 41.197 322 2HG LYS 132 3HG LYS 132 55.565 16.678 40.929 323 1HD LYS 132 2HD LYS 132 53.949 16.031 39.362 324 2HD LYS 132 3HD LYS 132 54.688 14.445 39.125 325 1HE LYS 132 2HE LYS 132 53.094 13.721 40.526 326 2HE LYS 132 3HE LYS 132 54.121 14.397 41.790 327 1HZ LYS 132 1HZ LYS 132 52.825 16.543 41.340 328 2HZ LYS 132 2HZ LYS 132 52.056 15.316 42.213 329 3HZ LYS 132 3HZ LYS 132 51.690 15.546 40.577 330 H THR 133 H THR 133 58.583 18.833 40.058 331 HA THR 133 HA THR 133 60.757 18.293 38.141 332 HB THR 133 HB THR 133 60.703 20.850 39.683 333 HG1 THR 133 HG1 THR 133 58.625 20.708 38.706 334 1HG2 THR 133 1HG2 THR 133 61.468 21.271 37.042 335 2HG2 THR 133 2HG2 THR 133 62.138 19.691 37.448 336 3HG2 THR 133 3HG2 THR 133 62.538 21.099 38.432 337 H CYS 134 H CYS 134 62.271 16.980 39.116 338 HA CYS 134 HA CYS 134 62.593 17.238 41.979 339 1HB CYS 134 2HB CYS 134 62.398 14.987 41.002 340 2HB CYS 134 3HB CYS 134 63.819 15.272 40.017 341 H VAL 135 H VAL 135 63.887 18.860 42.559 342 HA VAL 135 HA VAL 135 65.774 20.179 40.978 343 HB VAL 135 HB VAL 135 66.667 21.091 43.125 344 1HG1 VAL 135 1HG1 VAL 135 64.465 21.779 41.837 345 2HG1 VAL 135 2HG1 VAL 135 63.706 21.250 43.341 346 3HG1 VAL 135 3HG1 VAL 135 64.915 22.536 43.365 347 1HG2 VAL 135 1HG2 VAL 135 66.423 19.250 44.606 348 2HG2 VAL 135 2HG2 VAL 135 65.341 20.516 45.186 349 3HG2 VAL 135 3HG2 VAL 135 64.691 19.142 44.291 350 H THR 136 H THR 136 66.166 17.533 43.293 351 HA THR 136 HA THR 136 68.968 17.432 43.297 352 HB THR 136 HB THR 136 66.948 15.231 43.750 353 HG1 THR 136 HG1 THR 136 66.925 15.978 45.736 354 1HG2 THR 136 1HG2 THR 136 69.939 15.255 44.114 355 2HG2 THR 136 2HG2 THR 136 68.969 14.126 43.168 356 3HG2 THR 136 3HG2 THR 136 68.881 14.105 44.929 357 H CYS 137 H CYS 137 66.548 16.048 41.036 358 HA CYS 137 HA CYS 137 68.588 14.540 39.692 359 1HB CYS 137 2HB CYS 137 65.626 14.933 39.268 360 2HB CYS 137 3HB CYS 137 66.615 14.178 38.035 361 H GLU 138 H GLU 138 67.241 17.675 39.707 362 HA GLU 138 HA GLU 138 67.618 19.563 38.493 363 1HB GLU 138 2HB GLU 138 70.010 18.418 38.568 364 2HB GLU 138 3HB GLU 138 69.720 18.235 36.844 365 1HG GLU 138 2HG GLU 138 69.376 20.648 36.649 366 2HG GLU 138 3HG GLU 138 69.688 20.827 38.374 367 H VAL 139 H VAL 139 65.769 17.490 37.570 368 HA VAL 139 HA VAL 139 65.394 18.502 34.873 369 HB VAL 139 HB VAL 139 65.593 15.537 35.420 370 1HG1 VAL 139 1HG1 VAL 139 65.173 15.321 32.977 371 2HG1 VAL 139 2HG1 VAL 139 63.792 15.938 33.886 372 3HG1 VAL 139 3HG1 VAL 139 64.786 17.042 32.936 373 1HG2 VAL 139 1HG2 VAL 139 67.426 15.614 33.771 374 2HG2 VAL 139 2HG2 VAL 139 67.284 17.372 33.725 375 3HG2 VAL 139 3HG2 VAL 139 67.775 16.566 35.214 376 H SER 140 H SER 140 63.266 18.460 34.185 377 HA SER 140 HA SER 140 61.315 17.899 36.290 378 1HB SER 140 2HB SER 140 59.757 19.216 34.859 379 2HB SER 140 3HB SER 140 61.201 20.120 35.317 380 HG SER 140 HG SER 140 61.522 20.383 33.268 381 H TYR 141 H TYR 141 59.926 16.252 36.202 382 HA TYR 141 HA TYR 141 59.664 14.792 33.656 383 1HB TYR 141 2HB TYR 141 59.533 13.551 36.406 384 2HB TYR 141 3HB TYR 141 59.571 12.716 34.858 385 HD1 TYR 141 HD1 TYR 141 61.715 13.388 33.371 386 HD2 TYR 141 HD2 TYR 141 61.491 13.588 37.616 387 HE1 TYR 141 HE1 TYR 141 64.167 13.253 33.501 388 HE2 TYR 141 HE2 TYR 141 63.942 13.455 37.757 389 HH TYR 141 HH TYR 141 65.851 12.357 35.603 390 H CYS 142 H CYS 142 57.599 13.200 33.802 391 HA CYS 142 HA CYS 142 55.437 14.974 34.627 392 1HB CYS 142 2HB CYS 142 54.031 13.752 33.068 393 2HB CYS 142 3HB CYS 142 55.475 14.319 32.253 394 H ASP 143 H ASP 143 53.524 12.816 34.600 395 HA ASP 143 HA ASP 143 53.890 11.829 37.283 396 1HB ASP 143 2HB ASP 143 51.618 10.680 36.679 397 2HB ASP 143 3HB ASP 143 51.679 12.423 36.917 398 H GLU 144 H GLU 144 53.008 10.153 34.257 399 HA GLU 144 HA GLU 144 53.448 7.572 35.059 400 1HB GLU 144 2HB GLU 144 53.234 7.002 32.869 401 2HB GLU 144 3HB GLU 144 52.727 8.679 32.731 402 1HG GLU 144 2HG GLU 144 55.040 9.286 32.112 403 2HG GLU 144 3HG GLU 144 55.466 7.576 32.152 404 H CYS 145 H CYS 145 55.881 10.036 34.181 405 HA CYS 145 HA CYS 145 57.981 8.117 34.037 406 1HB CYS 145 2HB CYS 145 57.770 11.097 33.865 407 2HB CYS 145 3HB CYS 145 59.330 10.414 34.282 408 H LEU 146 H LEU 146 57.115 10.767 36.262 409 HA LEU 146 HA LEU 146 58.931 10.317 38.281 410 1HB LEU 146 2HB LEU 146 57.410 12.247 38.154 411 2HB LEU 146 3HB LEU 146 56.064 11.201 38.600 412 HG LEU 146 HG LEU 146 57.596 10.758 40.718 413 1HD1 LEU 146 1HD1 LEU 146 58.572 13.040 41.342 414 2HD1 LEU 146 2HD1 LEU 146 58.534 13.383 39.612 415 3HD1 LEU 146 3HD1 LEU 146 59.489 12.031 40.223 416 1HD2 LEU 146 1HD2 LEU 146 55.595 11.540 41.374 417 2HD2 LEU 146 2HD2 LEU 146 55.515 12.724 40.069 418 3HD2 LEU 146 3HD2 LEU 146 56.446 13.078 41.525 419 H LYS 147 H LYS 147 56.108 8.488 37.459 420 HA LYS 147 HA LYS 147 55.813 7.132 39.948 421 1HB LYS 147 2HB LYS 147 54.556 7.102 37.338 422 2HB LYS 147 3HB LYS 147 54.788 5.468 37.945 423 1HG LYS 147 2HG LYS 147 53.694 6.250 40.087 424 2HG LYS 147 3HG LYS 147 53.244 7.714 39.207 425 1HD LYS 147 2HD LYS 147 52.414 5.825 37.465 426 2HD LYS 147 3HD LYS 147 52.192 4.967 38.990 427 1HE LYS 147 2HE LYS 147 50.262 6.048 39.218 428 2HE LYS 147 3HE LYS 147 51.196 7.524 39.457 429 1HZ LYS 147 1HZ LYS 147 49.492 6.856 37.324 430 2HZ LYS 147 2HZ LYS 147 51.057 7.056 36.716 431 3HZ LYS 147 3HZ LYS 147 50.326 8.304 37.593 432 H ALA 148 H ALA 148 57.266 6.204 36.834 433 HA ALA 148 HA ALA 148 58.240 3.703 37.807 434 1HB ALA 148 1HB ALA 148 59.286 3.454 35.687 435 2HB ALA 148 2HB ALA 148 57.727 4.231 35.409 436 3HB ALA 148 3HB ALA 148 59.207 5.189 35.374 437 H THR 149 H THR 149 59.810 6.806 37.041 438 HA THR 149 HA THR 149 62.391 6.005 37.893 439 HB THR 149 HB THR 149 61.309 8.824 37.734 440 HG1 THR 149 HG1 THR 149 61.091 8.122 35.697 441 1HG2 THR 149 1HG2 THR 149 63.409 9.566 38.056 442 2HG2 THR 149 2HG2 THR 149 64.114 8.283 37.072 443 3HG2 THR 149 3HG2 THR 149 63.698 7.974 38.757 444 H HIS 150 H HIS 150 59.865 7.962 39.461 445 HA HIS 150 HA HIS 150 61.261 7.556 42.023 446 1HB HIS 150 2HB HIS 150 59.394 9.777 41.170 447 2HB HIS 150 3HB HIS 150 60.023 9.580 42.803 448 HD2 HIS 150 HD2 HIS 150 61.094 12.252 42.019 449 HE1 HIS 150 HE1 HIS 150 64.401 10.442 40.073 450 HA PRO 151 HA PRO 151 57.305 5.125 42.194 451 1HB PRO 151 2HB PRO 151 58.430 2.926 43.320 452 2HB PRO 151 3HB PRO 151 58.376 3.190 41.574 453 1HG PRO 151 2HG PRO 151 60.625 3.665 43.493 454 2HG PRO 151 3HG PRO 151 60.668 2.938 41.876 455 1HD PRO 151 2HD PRO 151 61.383 5.508 42.339 456 2HD PRO 151 3HD PRO 151 60.631 4.986 40.819 457 H ASN 152 H ASN 152 56.604 6.623 43.801 458 HA ASN 152 HA ASN 152 57.312 5.833 46.550 459 1HB ASN 152 2HB ASN 152 56.925 8.113 47.267 460 2HB ASN 152 3HB ASN 152 58.087 8.120 45.943 461 1HD2 ASN 152 1HD2 ASN 152 57.448 8.880 43.913 462 2HD2 ASN 152 2HD2 ASN 152 56.051 9.879 43.720 463 H LYS 153 H LYS 153 55.622 5.931 48.126 464 HA LYS 153 HA LYS 153 52.996 5.368 46.962 465 1HB LYS 153 2HB LYS 153 54.292 4.715 49.593 466 2HB LYS 153 3HB LYS 153 52.547 4.612 49.403 467 1HG LYS 153 2HG LYS 153 52.749 2.935 47.727 468 2HG LYS 153 3HG LYS 153 54.497 3.160 47.633 469 1HD LYS 153 2HD LYS 153 53.588 2.557 50.330 470 2HD LYS 153 3HD LYS 153 53.171 1.290 49.174 471 1HE LYS 153 2HE LYS 153 55.685 1.688 48.419 472 2HE LYS 153 3HE LYS 153 55.833 2.241 50.087 473 1HZ LYS 153 1HZ LYS 153 55.438 0.171 50.907 474 2HZ LYS 153 2HZ LYS 153 56.168 -0.265 49.445 475 3HZ LYS 153 3HZ LYS 153 54.483 -0.310 49.595 476 H LYS 154 H LYS 154 54.284 8.085 47.548 477 HA LYS 154 HA LYS 154 53.573 10.153 48.174 478 1HB LYS 154 2HB LYS 154 51.105 8.608 47.791 479 2HB LYS 154 3HB LYS 154 50.920 9.994 48.859 480 1HG LYS 154 2HG LYS 154 52.247 11.183 46.879 481 2HG LYS 154 3HG LYS 154 51.474 9.891 45.956 482 1HD LYS 154 2HD LYS 154 49.318 10.622 46.533 483 2HD LYS 154 3HD LYS 154 49.920 11.625 47.855 484 1HE LYS 154 2HE LYS 154 50.144 13.370 46.496 485 2HE LYS 154 3HE LYS 154 51.125 12.428 45.375 486 1HZ LYS 154 1HZ LYS 154 48.688 13.425 44.823 487 2HZ LYS 154 2HZ LYS 154 48.306 11.836 45.261 488 3HZ LYS 154 3HZ LYS 154 49.403 12.128 44.006 489 HA PRO 155 HA PRO 155 51.959 11.816 49.116 490 1HB PRO 155 2HB PRO 155 52.958 13.894 50.548 491 2HB PRO 155 3HB PRO 155 51.416 13.120 50.928 492 1HG PRO 155 2HG PRO 155 54.100 12.715 52.189 493 2HG PRO 155 3HG PRO 155 52.511 12.862 52.963 494 1HD PRO 155 2HD PRO 155 53.721 10.472 52.564 495 2HD PRO 155 3HD PRO 155 51.956 10.667 52.529 496 H PHE 156 H PHE 156 55.148 11.827 50.707 497 HA PHE 156 HA PHE 156 56.477 11.976 48.154 498 1HB PHE 156 2HB PHE 156 56.362 14.324 50.013 499 2HB PHE 156 3HB PHE 156 57.814 14.044 49.056 500 HD1 PHE 156 HD1 PHE 156 54.993 15.926 49.137 501 HD2 PHE 156 HD2 PHE 156 57.075 13.328 46.484 502 HE1 PHE 156 HE1 PHE 156 53.936 17.043 47.216 503 HE2 PHE 156 HE2 PHE 156 56.020 14.441 44.560 504 HZ PHE 156 HZ PHE 156 54.450 16.302 44.925 505 H THR 157 H THR 157 56.658 9.916 49.791 506 HA THR 157 HA THR 157 58.983 10.255 51.527 507 HB THR 157 HB THR 157 57.059 8.959 52.379 508 HG1 THR 157 HG1 THR 157 58.538 7.911 53.456 509 1HG2 THR 157 1HG2 THR 157 56.632 7.978 50.001 510 2HG2 THR 157 2HG2 THR 157 56.288 6.994 51.424 511 3HG2 THR 157 3HG2 THR 157 57.774 6.734 50.510 512 H GLY 158 H GLY 158 59.438 10.554 48.745 513 1HA GLY 158 2HA GLY 158 61.161 8.202 48.270 514 2HA GLY 158 3HA GLY 158 60.229 8.930 46.971 515 H HIS 159 H HIS 159 60.874 10.910 46.101 516 HA HIS 159 HA HIS 159 63.647 11.645 46.751 517 1HB HIS 159 2HB HIS 159 62.509 10.990 44.314 518 2HB HIS 159 3HB HIS 159 62.563 12.750 44.273 519 HD2 HIS 159 HD2 HIS 159 65.558 12.628 46.043 520 HE1 HIS 159 HE1 HIS 159 66.844 11.085 42.306 521 H ARG 160 H ARG 160 63.871 14.099 45.658 522 HA ARG 160 HA ARG 160 62.122 15.708 47.379 523 1HB ARG 160 2HB ARG 160 64.880 15.688 47.083 524 2HB ARG 160 3HB ARG 160 64.375 17.106 46.174 525 1HG ARG 160 2HG ARG 160 63.157 17.912 48.156 526 2HG ARG 160 3HG ARG 160 63.752 16.517 49.060 527 1HD ARG 160 2HD ARG 160 66.021 17.636 47.900 528 2HD ARG 160 3HD ARG 160 65.065 19.017 48.436 529 HE ARG 160 HE ARG 160 65.518 18.442 50.604 530 1HH1 ARG 160 2HH1 ARG 160 66.258 15.745 48.530 531 2HH1 ARG 160 1HH1 ARG 160 66.996 14.812 49.790 532 1HH2 ARG 160 2HH2 ARG 160 66.488 17.223 52.270 533 2HH2 ARG 160 1HH2 ARG 160 67.125 15.653 51.917 534 H LEU 161 H LEU 161 61.721 17.986 46.525 535 HA LEU 161 HA LEU 161 61.430 18.111 43.626 536 1HB LEU 161 2HB LEU 161 59.299 17.406 45.317 537 2HB LEU 161 3HB LEU 161 59.014 19.078 44.838 538 HG LEU 161 HG LEU 161 59.532 18.034 42.431 539 1HD1 LEU 161 1HD1 LEU 161 57.903 15.796 43.383 540 2HD1 LEU 161 2HD1 LEU 161 59.579 15.760 43.929 541 3HD1 LEU 161 3HD1 LEU 161 59.215 15.830 42.205 542 1HD2 LEU 161 1HD2 LEU 161 57.572 19.282 42.813 543 2HD2 LEU 161 2HD2 LEU 161 56.948 18.102 43.967 544 3HD2 LEU 161 3HD2 LEU 161 57.022 17.703 42.251 545 H ILE 162 H ILE 162 59.956 20.367 43.362 546 HA ILE 162 HA ILE 162 61.750 22.425 43.755 547 HB ILE 162 HB ILE 162 58.744 22.650 43.558 548 1HG1 ILE 162 2HG1 ILE 162 59.811 21.444 41.677 549 2HG1 ILE 162 3HG1 ILE 162 59.120 22.983 41.176 550 1HG2 ILE 162 1HG2 ILE 162 60.942 24.678 43.408 551 2HG2 ILE 162 2HG2 ILE 162 59.419 24.927 42.556 552 3HG2 ILE 162 3HG2 ILE 162 59.427 24.741 44.309 553 1HD1 ILE 162 1HD1 ILE 162 61.780 22.036 40.878 554 2HD1 ILE 162 2HD1 ILE 162 61.067 23.543 40.302 555 3HD1 ILE 162 3HD1 ILE 162 61.801 23.470 41.904 556 H GLU 163 H GLU 163 62.388 23.568 45.457 557 HA GLU 163 HA GLU 163 61.652 23.049 48.067 558 1HB GLU 163 2HB GLU 163 63.116 25.227 46.696 559 2HB GLU 163 3HB GLU 163 62.518 25.592 48.308 560 1HG GLU 163 2HG GLU 163 63.661 23.497 49.091 561 2HG GLU 163 3HG GLU 163 64.416 23.408 47.501 562 HA PRO 164 HA PRO 164 57.895 25.147 48.917 563 1HB PRO 164 2HB PRO 164 58.333 26.155 51.399 564 2HB PRO 164 3HB PRO 164 58.097 24.431 51.092 565 1HG PRO 164 2HG PRO 164 60.644 25.950 51.494 566 2HG PRO 164 3HG PRO 164 60.166 24.373 52.148 567 1HD PRO 164 2HD PRO 164 61.811 24.626 50.012 568 2HD PRO 164 3HD PRO 164 60.687 23.264 50.196 Start of MODEL 9 1 1H GLN 87 H GLN 87 35.914 -21.547 -14.083 2 HA GLN 87 HA GLN 87 36.394 -20.695 -16.549 3 1HB GLN 87 2HB GLN 87 33.621 -19.725 -15.839 4 2HB GLN 87 3HB GLN 87 34.571 -19.155 -17.205 5 1HG GLN 87 2HG GLN 87 34.479 -21.290 -18.258 6 2HG GLN 87 3HG GLN 87 33.752 -22.022 -16.829 7 1HE2 GLN 87 1HE2 GLN 87 31.838 -22.673 -17.604 8 2HE2 GLN 87 2HE2 GLN 87 30.651 -21.630 -18.302 9 H LYS 88 H LYS 88 38.047 -19.922 -15.131 10 HA LYS 88 HA LYS 88 37.368 -17.452 -13.684 11 1HB LYS 88 2HB LYS 88 39.376 -17.784 -12.386 12 2HB LYS 88 3HB LYS 88 38.427 -19.266 -12.360 13 1HG LYS 88 2HG LYS 88 40.305 -19.286 -14.545 14 2HG LYS 88 3HG LYS 88 41.119 -18.997 -13.006 15 1HD LYS 88 2HD LYS 88 39.109 -21.205 -13.359 16 2HD LYS 88 3HD LYS 88 40.819 -21.426 -13.738 17 1HE LYS 88 2HE LYS 88 41.410 -21.505 -11.572 18 2HE LYS 88 3HE LYS 88 40.309 -20.203 -11.124 19 1HZ LYS 88 1HZ LYS 88 39.885 -23.078 -11.110 20 2HZ LYS 88 2HZ LYS 88 38.574 -22.142 -11.627 21 3HZ LYS 88 3HZ LYS 88 39.245 -21.883 -10.097 22 H ALA 89 H ALA 89 38.826 -15.645 -13.838 23 HA ALA 89 HA ALA 89 40.824 -15.605 -15.913 24 1HB ALA 89 1HB ALA 89 39.162 -13.440 -16.637 25 2HB ALA 89 2HB ALA 89 39.577 -14.864 -17.591 26 3HB ALA 89 3HB ALA 89 38.144 -14.879 -16.564 27 H SER 90 H SER 90 41.861 -13.447 -16.091 28 HA SER 90 HA SER 90 41.349 -11.511 -14.027 29 1HB SER 90 2HB SER 90 43.300 -13.626 -13.590 30 2HB SER 90 3HB SER 90 44.037 -12.027 -13.507 31 HG SER 90 HG SER 90 43.280 -12.441 -11.487 32 H VAL 91 H VAL 91 42.921 -9.695 -14.120 33 HA VAL 91 HA VAL 91 44.113 -9.450 -16.806 34 HB VAL 91 HB VAL 91 43.610 -6.981 -16.606 35 1HG1 VAL 91 1HG1 VAL 91 41.056 -8.534 -16.614 36 2HG1 VAL 91 2HG1 VAL 91 41.566 -7.209 -17.662 37 3HG1 VAL 91 3HG1 VAL 91 42.267 -8.816 -17.864 38 1HG2 VAL 91 1HG2 VAL 91 42.445 -6.113 -14.890 39 2HG2 VAL 91 2HG2 VAL 91 41.375 -7.510 -14.777 40 3HG2 VAL 91 3HG2 VAL 91 42.972 -7.559 -14.029 41 H SER 92 H SER 92 46.080 -8.422 -16.979 42 HA SER 92 HA SER 92 47.406 -7.746 -14.434 43 1HB SER 92 2HB SER 92 48.293 -9.827 -15.412 44 2HB SER 92 3HB SER 92 48.658 -8.968 -16.908 45 HG SER 92 HG SER 92 50.464 -8.417 -16.015 46 H GLY 93 H GLY 93 46.182 -5.671 -15.381 47 1HA GLY 93 2HA GLY 93 48.299 -4.104 -16.705 48 2HA GLY 93 3HA GLY 93 46.637 -3.996 -17.268 49 HA PRO 94 HA PRO 94 46.715 -2.038 -12.837 50 1HB PRO 94 2HB PRO 94 49.169 -1.585 -11.769 51 2HB PRO 94 3HB PRO 94 48.268 -3.083 -11.505 52 1HG PRO 94 2HG PRO 94 50.490 -2.523 -13.431 53 2HG PRO 94 3HG PRO 94 50.233 -3.944 -12.402 54 1HD PRO 94 2HD PRO 94 49.614 -3.923 -15.038 55 2HD PRO 94 3HD PRO 94 48.697 -4.871 -13.850 56 H ASN 95 H ASN 95 46.891 0.176 -12.287 57 HA ASN 95 HA ASN 95 47.198 1.960 -14.379 58 1HB ASN 95 2HB ASN 95 46.554 2.101 -11.608 59 2HB ASN 95 3HB ASN 95 47.756 3.344 -11.946 60 1HD2 ASN 95 1HD2 ASN 95 47.129 4.075 -14.489 61 2HD2 ASN 95 2HD2 ASN 95 45.554 4.785 -14.528 62 H SER 96 H SER 96 48.870 2.947 -15.318 63 HA SER 96 HA SER 96 51.528 2.196 -14.727 64 1HB SER 96 2HB SER 96 52.012 3.164 -16.711 65 2HB SER 96 3HB SER 96 50.266 3.330 -16.884 66 HG SER 96 HG SER 96 50.391 5.421 -16.257 67 HA PRO 97 HA PRO 97 52.907 5.126 -11.770 68 1HB PRO 97 2HB PRO 97 55.405 5.721 -12.652 69 2HB PRO 97 3HB PRO 97 54.988 4.163 -11.926 70 1HG PRO 97 2HG PRO 97 55.254 4.895 -14.817 71 2HG PRO 97 3HG PRO 97 55.826 3.445 -13.972 72 1HD PRO 97 2HD PRO 97 53.563 3.465 -15.459 73 2HD PRO 97 3HD PRO 97 53.751 2.443 -14.019 74 H SER 98 H SER 98 52.275 7.165 -11.515 75 HA SER 98 HA SER 98 52.301 8.981 -13.801 76 1HB SER 98 2HB SER 98 50.503 8.553 -11.684 77 2HB SER 98 3HB SER 98 51.216 10.137 -11.384 78 HG SER 98 HG SER 98 49.424 9.387 -13.272 79 H GLU 99 H GLU 99 53.003 11.221 -13.502 80 HA GLU 99 HA GLU 99 55.361 11.353 -11.746 81 1HB GLU 99 2HB GLU 99 54.780 12.385 -14.472 82 2HB GLU 99 3HB GLU 99 55.798 13.380 -13.440 83 1HG GLU 99 2HG GLU 99 57.540 11.977 -13.580 84 2HG GLU 99 3HG GLU 99 56.523 10.539 -13.525 85 H THR 100 H THR 100 55.595 12.983 -10.306 86 HA THR 100 HA THR 100 53.476 15.030 -10.225 87 HB THR 100 HB THR 100 53.070 13.457 -8.429 88 HG1 THR 100 HG1 THR 100 52.636 15.120 -7.205 89 1HG2 THR 100 1HG2 THR 100 55.364 12.556 -8.261 90 2HG2 THR 100 2HG2 THR 100 54.707 13.014 -6.689 91 3HG2 THR 100 3HG2 THR 100 55.877 14.059 -7.494 92 H ARG 101 H ARG 101 54.058 17.079 -9.382 93 HA ARG 101 HA ARG 101 56.756 17.842 -10.009 94 1HB ARG 101 2HB ARG 101 54.221 19.227 -9.363 95 2HB ARG 101 3HB ARG 101 55.696 20.083 -8.934 96 1HG ARG 101 2HG ARG 101 55.901 20.758 -11.028 97 2HG ARG 101 3HG ARG 101 56.037 19.078 -11.553 98 1HD ARG 101 2HD ARG 101 53.465 19.056 -11.418 99 2HD ARG 101 3HD ARG 101 53.597 20.815 -11.398 100 HE ARG 101 HE ARG 101 55.081 20.130 -13.542 101 1HH1 ARG 101 2HH1 ARG 101 51.858 19.294 -12.526 102 2HH1 ARG 101 1HH1 ARG 101 51.258 19.102 -14.141 103 1HH2 ARG 101 2HH2 ARG 101 54.304 19.882 -15.672 104 2HH2 ARG 101 1HH2 ARG 101 52.650 19.437 -15.929 105 H ARG 102 H ARG 102 58.104 19.123 -8.538 106 HA ARG 102 HA ARG 102 57.952 18.056 -5.803 107 1HB ARG 102 2HB ARG 102 60.182 18.708 -7.642 108 2HB ARG 102 3HB ARG 102 60.446 19.068 -5.940 109 1HG ARG 102 2HG ARG 102 59.649 16.650 -5.535 110 2HG ARG 102 3HG ARG 102 59.973 16.425 -7.256 111 1HD ARG 102 2HD ARG 102 62.023 15.867 -6.461 112 2HD ARG 102 3HD ARG 102 62.256 17.612 -6.562 113 HE ARG 102 HE ARG 102 61.221 17.037 -4.039 114 1HH1 ARG 102 2HH1 ARG 102 64.102 16.422 -5.895 115 2HH1 ARG 102 1HH1 ARG 102 65.135 16.334 -4.507 116 1HH2 ARG 102 2HH2 ARG 102 62.570 16.924 -2.203 117 2HH2 ARG 102 1HH2 ARG 102 64.262 16.618 -2.408 118 H GLU 103 H GLU 103 58.511 19.443 -4.027 119 HA GLU 103 HA GLU 103 58.819 22.251 -4.342 120 1HB GLU 103 2HB GLU 103 56.348 21.815 -4.896 121 2HB GLU 103 3HB GLU 103 56.156 21.450 -3.187 122 1HG GLU 103 2HG GLU 103 57.550 23.949 -3.586 123 2HG GLU 103 3HG GLU 103 55.983 23.938 -4.394 124 H ARG 104 H ARG 104 59.568 23.168 -2.495 125 HA ARG 104 HA ARG 104 59.313 21.646 0.005 126 1HB ARG 104 2HB ARG 104 61.652 21.979 0.522 127 2HB ARG 104 3HB ARG 104 61.513 21.167 -1.032 128 1HG ARG 104 2HG ARG 104 61.984 23.216 -2.202 129 2HG ARG 104 3HG ARG 104 61.980 24.120 -0.686 130 1HD ARG 104 2HD ARG 104 64.147 23.702 -0.451 131 2HD ARG 104 3HD ARG 104 63.792 21.977 -0.375 132 HE ARG 104 HE ARG 104 63.814 22.693 -3.058 133 1HH1 ARG 104 2HH1 ARG 104 66.035 22.581 -0.379 134 2HH1 ARG 104 1HH1 ARG 104 67.425 22.305 -1.373 135 1HH2 ARG 104 2HH2 ARG 104 65.638 22.330 -4.379 136 2HH2 ARG 104 1HH2 ARG 104 67.199 22.163 -3.649 137 H ALA 105 H ALA 105 59.033 22.850 1.821 138 HA ALA 105 HA ALA 105 58.752 25.743 1.429 139 1HB ALA 105 1HB ALA 105 57.023 25.712 2.869 140 2HB ALA 105 2HB ALA 105 56.989 23.990 2.483 141 3HB ALA 105 3HB ALA 105 57.801 24.551 3.944 142 H PHE 106 H PHE 106 59.248 27.091 3.415 143 HA PHE 106 HA PHE 106 61.850 26.241 4.489 144 1HB PHE 106 2HB PHE 106 61.708 28.345 3.084 145 2HB PHE 106 3HB PHE 106 60.766 29.058 4.389 146 HD1 PHE 106 HD1 PHE 106 63.993 27.260 3.867 147 HD2 PHE 106 HD2 PHE 106 61.878 30.299 5.966 148 HE1 PHE 106 HE1 PHE 106 66.075 27.922 5.000 149 HE2 PHE 106 HE2 PHE 106 63.956 30.967 7.101 150 HZ PHE 106 HZ PHE 106 66.058 29.778 6.619 151 H ASP 107 H ASP 107 62.100 25.926 6.608 152 HA ASP 107 HA ASP 107 59.871 26.670 8.379 153 1HB ASP 107 2HB ASP 107 61.293 24.225 8.027 154 2HB ASP 107 3HB ASP 107 61.636 24.825 9.647 155 H ALA 108 H ALA 108 60.209 28.203 9.840 156 HA ALA 108 HA ALA 108 62.906 29.208 10.258 157 1HB ALA 108 1HB ALA 108 60.881 30.677 9.808 158 2HB ALA 108 2HB ALA 108 60.392 30.324 11.466 159 3HB ALA 108 3HB ALA 108 61.921 31.146 11.154 160 H ASN 109 H ASN 109 63.576 29.812 12.491 161 HA ASN 109 HA ASN 109 62.740 27.736 14.409 162 1HB ASN 109 2HB ASN 109 65.051 27.441 13.592 163 2HB ASN 109 3HB ASN 109 65.451 29.060 14.159 164 1HD2 ASN 109 1HD2 ASN 109 65.626 29.447 16.365 165 2HD2 ASN 109 2HD2 ASN 109 65.790 28.165 17.511 166 H THR 110 H THR 110 61.237 28.870 15.565 167 HA THR 110 HA THR 110 61.749 31.550 16.494 168 HB THR 110 HB THR 110 59.602 31.048 17.874 169 HG1 THR 110 HG1 THR 110 59.158 29.076 15.916 170 1HG2 THR 110 1HG2 THR 110 58.233 31.221 15.677 171 2HG2 THR 110 2HG2 THR 110 59.811 31.315 14.896 172 3HG2 THR 110 3HG2 THR 110 59.346 32.522 16.094 173 H MET 111 H MET 111 61.526 32.093 18.833 174 HA MET 111 HA MET 111 62.585 30.005 20.601 175 1HB MET 111 2HB MET 111 64.408 31.534 19.690 176 2HB MET 111 3HB MET 111 63.657 32.822 20.624 177 1HG MET 111 2HG MET 111 64.407 32.022 22.593 178 2HG MET 111 3HG MET 111 64.260 30.339 22.090 179 1HE MET 111 1HE MET 111 67.409 33.401 21.504 180 2HE MET 111 2HE MET 111 67.045 32.856 19.866 181 3HE MET 111 3HE MET 111 65.755 33.474 20.897 182 H THR 112 H THR 112 60.134 30.223 20.986 183 HA THR 112 HA THR 112 59.158 32.487 22.398 184 HB THR 112 HB THR 112 57.233 31.076 22.981 185 HG1 THR 112 HG1 THR 112 58.981 29.047 22.115 186 1HG2 THR 112 1HG2 THR 112 56.485 30.562 20.706 187 2HG2 THR 112 2HG2 THR 112 58.144 30.703 20.125 188 3HG2 THR 112 3HG2 THR 112 57.311 32.118 20.766 189 H SER 113 H SER 113 58.029 31.916 24.653 190 HA SER 113 HA SER 113 60.233 31.087 26.407 191 1HB SER 113 2HB SER 113 59.714 33.154 27.221 192 2HB SER 113 3HB SER 113 58.059 33.093 26.615 193 HG SER 113 HG SER 113 57.444 32.434 28.504 194 H ALA 114 H ALA 114 56.958 30.370 25.508 195 HA ALA 114 HA ALA 114 55.571 28.635 26.009 196 1HB ALA 114 1HB ALA 114 56.830 26.823 25.719 197 2HB ALA 114 2HB ALA 114 58.242 27.600 26.437 198 3HB ALA 114 3HB ALA 114 57.052 26.807 27.470 199 H GLU 115 H GLU 115 54.661 27.341 27.907 200 HA GLU 115 HA GLU 115 54.620 29.110 30.245 201 1HB GLU 115 2HB GLU 115 52.680 26.870 29.750 202 2HB GLU 115 3HB GLU 115 52.458 28.325 30.710 203 1HG GLU 115 2HG GLU 115 52.921 29.322 28.197 204 2HG GLU 115 3HG GLU 115 51.986 27.862 27.879 205 H LYS 116 H LYS 116 54.163 25.607 29.757 206 HA LYS 116 HA LYS 116 55.718 25.154 32.212 207 1HB LYS 116 2HB LYS 116 53.231 24.126 31.319 208 2HB LYS 116 3HB LYS 116 54.375 22.790 31.301 209 1HG LYS 116 2HG LYS 116 54.959 23.327 33.651 210 2HG LYS 116 3HG LYS 116 53.687 24.551 33.644 211 1HD LYS 116 2HD LYS 116 52.897 21.853 32.742 212 2HD LYS 116 3HD LYS 116 53.312 22.007 34.450 213 1HE LYS 116 2HE LYS 116 51.610 24.167 33.486 214 2HE LYS 116 3HE LYS 116 50.868 22.577 33.316 215 1HZ LYS 116 1HZ LYS 116 51.095 22.175 35.619 216 2HZ LYS 116 2HZ LYS 116 50.448 23.732 35.477 217 3HZ LYS 116 3HZ LYS 116 52.087 23.528 35.845 218 H VAL 117 H VAL 117 56.789 22.877 32.181 219 HA VAL 117 HA VAL 117 58.396 22.742 29.728 220 HB VAL 117 HB VAL 117 59.560 23.105 31.919 221 1HG1 VAL 117 1HG1 VAL 117 59.585 21.547 33.606 222 2HG1 VAL 117 2HG1 VAL 117 57.927 21.380 33.027 223 3HG1 VAL 117 3HG1 VAL 117 59.156 20.216 32.531 224 1HG2 VAL 117 1HG2 VAL 117 60.517 20.481 30.918 225 2HG2 VAL 117 2HG2 VAL 117 60.411 21.807 29.760 226 3HG2 VAL 117 3HG2 VAL 117 61.407 21.976 31.206 227 H LEU 118 H LEU 118 58.973 20.681 28.848 228 HA LEU 118 HA LEU 118 56.829 18.716 29.153 229 1HB LEU 118 2HB LEU 118 58.792 19.378 27.014 230 2HB LEU 118 3HB LEU 118 58.141 17.741 27.087 231 HG LEU 118 HG LEU 118 56.130 19.888 27.163 232 1HD1 LEU 118 1HD1 LEU 118 56.270 20.440 24.840 233 2HD1 LEU 118 2HD1 LEU 118 57.628 19.339 24.609 234 3HD1 LEU 118 3HD1 LEU 118 57.828 20.793 25.586 235 1HD2 LEU 118 1HD2 LEU 118 54.847 18.210 26.478 236 2HD2 LEU 118 2HD2 LEU 118 56.246 17.149 26.648 237 3HD2 LEU 118 3HD2 LEU 118 55.891 17.901 25.091 238 H CYS 119 H CYS 119 57.255 16.405 29.420 239 HA CYS 119 HA CYS 119 59.362 15.949 31.225 240 1HB CYS 119 2HB CYS 119 57.216 14.732 31.309 241 2HB CYS 119 3HB CYS 119 57.585 13.954 29.783 242 H GLN 120 H GLN 120 61.418 15.665 30.691 243 HA GLN 120 HA GLN 120 62.313 15.353 28.005 244 1HB GLN 120 2HB GLN 120 63.564 15.657 30.668 245 2HB GLN 120 3HB GLN 120 64.536 14.835 29.453 246 1HG GLN 120 2HG GLN 120 64.146 16.780 27.940 247 2HG GLN 120 3HG GLN 120 63.375 17.604 29.294 248 1HE2 GLN 120 1HE2 GLN 120 66.320 15.668 28.836 249 2HE2 GLN 120 2HE2 GLN 120 67.384 16.802 29.588 250 H PHE 121 H PHE 121 61.740 13.175 30.666 251 HA PHE 121 HA PHE 121 63.176 10.968 29.538 252 1HB PHE 121 2HB PHE 121 62.267 11.512 32.031 253 2HB PHE 121 3HB PHE 121 61.010 10.412 31.473 254 HD1 PHE 121 HD1 PHE 121 64.698 10.727 31.796 255 HD2 PHE 121 HD2 PHE 121 61.342 8.119 31.561 256 HE1 PHE 121 HE1 PHE 121 66.155 8.813 32.308 257 HE2 PHE 121 HE2 PHE 121 62.794 6.200 32.074 258 HZ PHE 121 HZ PHE 121 65.203 6.546 32.449 259 H CYS 122 H CYS 122 59.964 12.340 29.109 260 HA CYS 122 HA CYS 122 58.676 9.992 28.301 261 1HB CYS 122 2HB CYS 122 58.134 12.904 28.177 262 2HB CYS 122 3HB CYS 122 57.344 11.947 26.940 263 H ASP 123 H ASP 123 58.086 9.473 26.081 264 HA ASP 123 HA ASP 123 59.802 10.511 23.964 265 1HB ASP 123 2HB ASP 123 60.342 8.056 25.282 266 2HB ASP 123 3HB ASP 123 59.733 7.664 23.677 267 H GLN 124 H GLN 124 56.916 10.526 24.671 268 HA GLN 124 HA GLN 124 55.537 8.787 22.897 269 1HB GLN 124 2HB GLN 124 54.844 11.093 24.618 270 2HB GLN 124 3HB GLN 124 53.772 10.798 23.257 271 1HG GLN 124 2HG GLN 124 53.392 8.525 24.023 272 2HG GLN 124 3HG GLN 124 54.505 8.781 25.366 273 1HE2 GLN 124 1HE2 GLN 124 51.618 10.248 23.918 274 2HE2 GLN 124 2HE2 GLN 124 50.845 10.619 25.419 275 H ASP 125 H ASP 125 56.475 12.207 22.697 276 HA ASP 125 HA ASP 125 56.748 13.610 20.928 277 1HB ASP 125 2HB ASP 125 58.164 11.677 20.128 278 2HB ASP 125 3HB ASP 125 56.770 11.134 19.197 279 HA PRO 126 HA PRO 126 55.730 15.191 21.339 280 1HB PRO 126 2HB PRO 126 53.596 16.251 22.638 281 2HB PRO 126 3HB PRO 126 54.079 16.754 21.014 282 1HG PRO 126 2HG PRO 126 51.927 14.846 21.844 283 2HG PRO 126 3HG PRO 126 51.882 16.111 20.604 284 1HD PRO 126 2HD PRO 126 52.246 13.495 20.005 285 2HD PRO 126 3HD PRO 126 52.976 14.803 19.052 286 H ALA 127 H ALA 127 56.243 15.296 23.554 287 HA ALA 127 HA ALA 127 55.777 12.852 24.997 288 1HB ALA 127 1HB ALA 127 57.456 15.280 25.422 289 2HB ALA 127 2HB ALA 127 57.141 14.198 26.780 290 3HB ALA 127 3HB ALA 127 57.929 13.583 25.327 291 H GLN 128 H GLN 128 55.144 12.897 27.325 292 HA GLN 128 HA GLN 128 52.621 14.238 27.594 293 1HB GLN 128 2HB GLN 128 53.361 11.879 28.454 294 2HB GLN 128 3HB GLN 128 53.954 12.778 29.844 295 1HG GLN 128 2HG GLN 128 51.625 13.768 30.010 296 2HG GLN 128 3HG GLN 128 51.134 12.531 28.854 297 1HE2 GLN 128 1HE2 GLN 128 49.923 12.554 31.240 298 2HE2 GLN 128 2HE2 GLN 128 50.454 11.233 32.218 299 H ASP 129 H ASP 129 52.113 15.988 28.788 300 HA ASP 129 HA ASP 129 53.990 17.904 29.444 301 1HB ASP 129 2HB ASP 129 51.248 17.506 30.663 302 2HB ASP 129 3HB ASP 129 52.201 18.985 30.769 303 H ALA 130 H ALA 130 55.296 18.297 31.127 304 HA ALA 130 HA ALA 130 55.404 16.315 33.260 305 1HB ALA 130 1HB ALA 130 57.450 18.057 33.760 306 2HB ALA 130 2HB ALA 130 57.571 16.597 32.777 307 3HB ALA 130 3HB ALA 130 57.293 18.158 32.005 308 H VAL 131 H VAL 131 54.726 16.655 35.279 309 HA VAL 131 HA VAL 131 54.049 19.414 36.072 310 HB VAL 131 HB VAL 131 52.326 18.340 37.585 311 1HG1 VAL 131 1HG1 VAL 131 51.811 17.879 34.656 312 2HG1 VAL 131 2HG1 VAL 131 50.650 18.326 35.908 313 3HG1 VAL 131 3HG1 VAL 131 51.873 19.484 35.382 314 1HG2 VAL 131 1HG2 VAL 131 53.415 16.033 37.256 315 2HG2 VAL 131 2HG2 VAL 131 51.654 16.125 37.283 316 3HG2 VAL 131 3HG2 VAL 131 52.505 15.977 35.746 317 H LYS 132 H LYS 132 56.492 17.662 36.482 318 HA LYS 132 HA LYS 132 56.752 18.213 39.335 319 1HB LYS 132 2HB LYS 132 56.981 15.509 38.070 320 2HB LYS 132 3HB LYS 132 58.002 15.906 39.445 321 1HG LYS 132 2HG LYS 132 56.330 15.269 40.750 322 2HG LYS 132 3HG LYS 132 55.457 16.706 40.216 323 1HD LYS 132 2HD LYS 132 54.925 15.079 38.153 324 2HD LYS 132 3HD LYS 132 55.126 13.872 39.427 325 1HE LYS 132 2HE LYS 132 53.434 16.257 39.982 326 2HE LYS 132 3HE LYS 132 52.785 14.995 38.936 327 1HZ LYS 132 1HZ LYS 132 53.881 14.501 41.649 328 2HZ LYS 132 2HZ LYS 132 53.071 13.393 40.662 329 3HZ LYS 132 3HZ LYS 132 52.236 14.710 41.316 330 H THR 133 H THR 133 59.011 18.151 40.064 331 HA THR 133 HA THR 133 61.090 18.105 38.063 332 HB THR 133 HB THR 133 60.909 20.691 39.552 333 HG1 THR 133 HG1 THR 133 58.953 20.777 38.566 334 1HG2 THR 133 1HG2 THR 133 62.401 19.545 37.307 335 2HG2 THR 133 2HG2 THR 133 62.836 20.854 38.405 336 3HG2 THR 133 3HG2 THR 133 61.803 21.178 37.012 337 H CYS 134 H CYS 134 62.756 17.017 39.044 338 HA CYS 134 HA CYS 134 62.877 17.090 41.920 339 1HB CYS 134 2HB CYS 134 63.236 15.036 40.308 340 2HB CYS 134 3HB CYS 134 64.877 15.643 40.204 341 H VAL 135 H VAL 135 64.528 18.033 43.062 342 HA VAL 135 HA VAL 135 66.061 20.091 41.700 343 HB VAL 135 HB VAL 135 66.672 20.857 43.953 344 1HG1 VAL 135 1HG1 VAL 135 64.147 21.088 44.752 345 2HG1 VAL 135 2HG1 VAL 135 64.775 21.963 43.354 346 3HG1 VAL 135 3HG1 VAL 135 63.849 20.480 43.123 347 1HG2 VAL 135 1HG2 VAL 135 65.097 18.448 44.847 348 2HG2 VAL 135 2HG2 VAL 135 66.802 18.785 45.146 349 3HG2 VAL 135 3HG2 VAL 135 65.560 19.776 45.911 350 H THR 136 H THR 136 66.606 17.139 43.543 351 HA THR 136 HA THR 136 69.451 17.401 43.622 352 HB THR 136 HB THR 136 68.434 16.053 45.316 353 HG1 THR 136 HG1 THR 136 69.583 14.059 44.952 354 1HG2 THR 136 1HG2 THR 136 66.404 15.352 44.285 355 2HG2 THR 136 2HG2 THR 136 67.302 13.888 44.688 356 3HG2 THR 136 3HG2 THR 136 67.272 14.475 43.025 357 H CYS 137 H CYS 137 67.107 15.883 41.377 358 HA CYS 137 HA CYS 137 69.255 14.601 39.950 359 1HB CYS 137 2HB CYS 137 66.284 14.746 39.343 360 2HB CYS 137 3HB CYS 137 67.452 13.789 38.455 361 H GLU 138 H GLU 138 67.454 17.525 40.019 362 HA GLU 138 HA GLU 138 67.488 19.440 38.793 363 1HB GLU 138 2HB GLU 138 70.000 18.959 39.062 364 2HB GLU 138 3HB GLU 138 69.941 18.397 37.397 365 1HG GLU 138 2HG GLU 138 68.951 20.657 36.821 366 2HG GLU 138 3HG GLU 138 69.421 21.159 38.444 367 H VAL 139 H VAL 139 65.790 17.538 37.845 368 HA VAL 139 HA VAL 139 65.707 18.203 35.021 369 HB VAL 139 HB VAL 139 65.671 15.323 35.936 370 1HG1 VAL 139 1HG1 VAL 139 65.453 14.811 33.528 371 2HG1 VAL 139 2HG1 VAL 139 64.056 15.674 34.173 372 3HG1 VAL 139 3HG1 VAL 139 65.255 16.533 33.204 373 1HG2 VAL 139 1HG2 VAL 139 67.926 16.172 35.851 374 2HG2 VAL 139 2HG2 VAL 139 67.658 15.110 34.468 375 3HG2 VAL 139 3HG2 VAL 139 67.646 16.860 34.252 376 H SER 140 H SER 140 63.644 18.148 34.146 377 HA SER 140 HA SER 140 61.495 17.944 36.122 378 1HB SER 140 2HB SER 140 62.042 19.823 34.147 379 2HB SER 140 3HB SER 140 60.707 18.887 33.479 380 HG SER 140 HG SER 140 59.483 19.383 35.269 381 H TYR 141 H TYR 141 60.034 16.360 36.095 382 HA TYR 141 HA TYR 141 59.790 14.712 33.669 383 1HB TYR 141 2HB TYR 141 59.948 13.728 36.524 384 2HB TYR 141 3HB TYR 141 59.541 12.719 35.140 385 HD1 TYR 141 HD1 TYR 141 61.434 13.489 33.106 386 HD2 TYR 141 HD2 TYR 141 62.030 13.085 37.300 387 HE1 TYR 141 HE1 TYR 141 63.822 13.050 32.718 388 HE2 TYR 141 HE2 TYR 141 64.420 12.647 36.923 389 HH TYR 141 HH TYR 141 65.838 12.840 33.691 390 H CYS 142 H CYS 142 57.728 13.138 33.943 391 HA CYS 142 HA CYS 142 55.589 14.959 34.718 392 1HB CYS 142 2HB CYS 142 54.143 13.637 33.284 393 2HB CYS 142 3HB CYS 142 55.569 14.132 32.394 394 H ASP 143 H ASP 143 53.670 12.822 34.904 395 HA ASP 143 HA ASP 143 54.116 12.019 37.634 396 1HB ASP 143 2HB ASP 143 51.897 12.760 36.931 397 2HB ASP 143 3HB ASP 143 51.816 11.454 35.752 398 H GLU 144 H GLU 144 53.094 10.130 34.783 399 HA GLU 144 HA GLU 144 53.540 7.613 35.729 400 1HB GLU 144 2HB GLU 144 53.523 8.850 33.057 401 2HB GLU 144 3HB GLU 144 54.386 7.320 33.152 402 1HG GLU 144 2HG GLU 144 52.015 6.887 34.539 403 2HG GLU 144 3HG GLU 144 51.553 7.839 33.129 404 H CYS 145 H CYS 145 56.005 9.487 33.798 405 HA CYS 145 HA CYS 145 58.039 7.711 34.048 406 1HB CYS 145 2HB CYS 145 58.003 10.718 33.838 407 2HB CYS 145 3HB CYS 145 59.522 9.860 33.994 408 H LEU 146 H LEU 146 57.349 10.502 36.159 409 HA LEU 146 HA LEU 146 59.250 10.146 38.108 410 1HB LEU 146 2HB LEU 146 57.856 12.093 38.080 411 2HB LEU 146 3HB LEU 146 56.413 11.122 38.363 412 HG LEU 146 HG LEU 146 58.086 10.608 40.544 413 1HD1 LEU 146 1HD1 LEU 146 58.536 12.845 41.430 414 2HD1 LEU 146 2HD1 LEU 146 58.010 13.553 39.903 415 3HD1 LEU 146 3HD1 LEU 146 59.447 12.533 39.952 416 1HD2 LEU 146 1HD2 LEU 146 55.514 11.922 39.985 417 2HD2 LEU 146 2HD2 LEU 146 56.279 12.369 41.510 418 3HD2 LEU 146 3HD2 LEU 146 55.924 10.676 41.163 419 H LYS 147 H LYS 147 56.309 8.348 37.595 420 HA LYS 147 HA LYS 147 56.218 7.088 40.143 421 1HB LYS 147 2HB LYS 147 54.460 7.282 38.119 422 2HB LYS 147 3HB LYS 147 55.100 5.678 37.783 423 1HG LYS 147 2HG LYS 147 54.583 5.099 40.182 424 2HG LYS 147 3HG LYS 147 53.700 6.626 40.267 425 1HD LYS 147 2HD LYS 147 53.151 4.459 38.242 426 2HD LYS 147 3HD LYS 147 52.271 4.644 39.761 427 1HE LYS 147 2HE LYS 147 52.112 7.158 38.740 428 2HE LYS 147 3HE LYS 147 52.092 6.188 37.269 429 1HZ LYS 147 1HZ LYS 147 50.368 5.206 39.363 430 2HZ LYS 147 2HZ LYS 147 50.056 5.417 37.714 431 3HZ LYS 147 3HZ LYS 147 49.933 6.731 38.773 432 H ALA 148 H ALA 148 57.630 6.220 37.025 433 HA ALA 148 HA ALA 148 58.538 3.649 37.954 434 1HB ALA 148 1HB ALA 148 59.723 4.830 35.516 435 2HB ALA 148 2HB ALA 148 59.076 3.213 35.798 436 3HB ALA 148 3HB ALA 148 57.979 4.562 35.503 437 H THR 149 H THR 149 60.157 6.672 36.977 438 HA THR 149 HA THR 149 62.741 5.836 37.778 439 HB THR 149 HB THR 149 61.758 8.683 37.521 440 HG1 THR 149 HG1 THR 149 62.450 6.739 35.613 441 1HG2 THR 149 1HG2 THR 149 64.023 8.168 38.600 442 2HG2 THR 149 2HG2 THR 149 64.009 9.303 37.251 443 3HG2 THR 149 3HG2 THR 149 64.526 7.637 36.997 444 H HIS 150 H HIS 150 60.298 7.885 39.347 445 HA HIS 150 HA HIS 150 61.817 7.636 41.859 446 1HB HIS 150 2HB HIS 150 59.879 9.787 40.984 447 2HB HIS 150 3HB HIS 150 60.608 9.691 42.583 448 HD2 HIS 150 HD2 HIS 150 61.553 12.336 41.508 449 HE1 HIS 150 HE1 HIS 150 64.832 10.431 39.608 450 HA PRO 151 HA PRO 151 57.906 5.180 42.356 451 1HB PRO 151 2HB PRO 151 59.110 3.069 43.565 452 2HB PRO 151 3HB PRO 151 58.978 3.223 41.809 453 1HG PRO 151 2HG PRO 151 61.299 3.842 43.596 454 2HG PRO 151 3HG PRO 151 61.285 3.018 42.026 455 1HD PRO 151 2HD PRO 151 61.981 5.619 42.299 456 2HD PRO 151 3HD PRO 151 61.172 4.995 40.848 457 H ASN 152 H ASN 152 56.808 6.090 43.985 458 HA ASN 152 HA ASN 152 57.809 5.716 46.708 459 1HB ASN 152 2HB ASN 152 56.865 8.112 47.157 460 2HB ASN 152 3HB ASN 152 58.486 7.928 46.491 461 1HD2 ASN 152 1HD2 ASN 152 58.919 9.252 44.898 462 2HD2 ASN 152 2HD2 ASN 152 57.787 9.891 43.760 463 H LYS 153 H LYS 153 56.149 5.861 48.339 464 HA LYS 153 HA LYS 153 53.612 4.856 47.368 465 1HB LYS 153 2HB LYS 153 53.137 4.310 49.658 466 2HB LYS 153 3HB LYS 153 54.799 3.844 49.319 467 1HG LYS 153 2HG LYS 153 55.640 5.767 50.477 468 2HG LYS 153 3HG LYS 153 54.007 6.407 50.683 469 1HD LYS 153 2HD LYS 153 53.781 5.263 52.576 470 2HD LYS 153 3HD LYS 153 54.081 3.751 51.715 471 1HE LYS 153 2HE LYS 153 55.813 3.678 53.192 472 2HE LYS 153 3HE LYS 153 56.590 4.580 51.892 473 1HZ LYS 153 1HZ LYS 153 55.350 5.729 54.332 474 2HZ LYS 153 2HZ LYS 153 55.994 6.638 53.060 475 3HZ LYS 153 3HZ LYS 153 57.004 5.649 53.988 476 H LYS 154 H LYS 154 54.907 7.860 48.187 477 HA LYS 154 HA LYS 154 54.017 9.941 48.417 478 1HB LYS 154 2HB LYS 154 51.928 8.420 46.977 479 2HB LYS 154 3HB LYS 154 51.395 9.909 47.748 480 1HG LYS 154 2HG LYS 154 53.783 10.541 46.426 481 2HG LYS 154 3HG LYS 154 52.851 9.544 45.308 482 1HD LYS 154 2HD LYS 154 50.875 11.090 45.979 483 2HD LYS 154 3HD LYS 154 52.145 12.183 46.536 484 1HE LYS 154 2HE LYS 154 52.946 12.549 44.412 485 2HE LYS 154 3HE LYS 154 52.350 11.006 43.805 486 1HZ LYS 154 1HZ LYS 154 50.439 13.081 44.641 487 2HZ LYS 154 2HZ LYS 154 50.239 11.834 43.516 488 3HZ LYS 154 3HZ LYS 154 51.176 13.188 43.122 489 HA PRO 155 HA PRO 155 52.100 11.596 48.445 490 1HB PRO 155 2HB PRO 155 52.274 13.706 50.146 491 2HB PRO 155 3HB PRO 155 50.746 12.901 49.766 492 1HG PRO 155 2HG PRO 155 52.524 12.563 52.151 493 2HG PRO 155 3HG PRO 155 50.756 12.681 52.081 494 1HD PRO 155 2HD PRO 155 52.049 10.315 52.339 495 2HD PRO 155 3HD PRO 155 50.507 10.471 51.473 496 H PHE 156 H PHE 156 53.884 12.201 47.399 497 HA PHE 156 HA PHE 156 56.168 12.249 46.999 498 1HB PHE 156 2HB PHE 156 55.684 14.450 49.015 499 2HB PHE 156 3HB PHE 156 57.149 14.308 48.049 500 HD1 PHE 156 HD1 PHE 156 56.240 13.637 45.420 501 HD2 PHE 156 HD2 PHE 156 54.478 16.256 48.275 502 HE1 PHE 156 HE1 PHE 156 55.161 14.891 43.598 503 HE2 PHE 156 HE2 PHE 156 53.395 17.514 46.459 504 HZ PHE 156 HZ PHE 156 53.735 16.831 44.117 505 H THR 157 H THR 157 56.185 10.090 48.313 506 HA THR 157 HA THR 157 57.802 10.376 50.743 507 HB THR 157 HB THR 157 57.302 8.057 51.216 508 HG1 THR 157 HG1 THR 157 57.265 7.265 49.066 509 1HG2 THR 157 1HG2 THR 157 54.752 8.182 51.216 510 2HG2 THR 157 2HG2 THR 157 54.942 9.747 50.424 511 3HG2 THR 157 3HG2 THR 157 55.614 9.485 52.033 512 H GLY 158 H GLY 158 58.651 10.598 47.802 513 1HA GLY 158 2HA GLY 158 60.827 8.602 47.960 514 2HA GLY 158 3HA GLY 158 60.096 9.097 46.441 515 H HIS 159 H HIS 159 60.843 10.879 45.409 516 HA HIS 159 HA HIS 159 63.259 12.083 46.490 517 1HB HIS 159 2HB HIS 159 62.157 11.606 43.848 518 2HB HIS 159 3HB HIS 159 62.710 13.269 44.021 519 HD2 HIS 159 HD2 HIS 159 65.370 12.412 45.930 520 HE1 HIS 159 HE1 HIS 159 66.508 10.381 42.384 521 H ARG 160 H ARG 160 63.500 14.527 45.877 522 HA ARG 160 HA ARG 160 61.348 15.898 47.267 523 1HB ARG 160 2HB ARG 160 64.017 16.931 46.294 524 2HB ARG 160 3HB ARG 160 62.888 17.812 47.314 525 1HG ARG 160 2HG ARG 160 63.346 16.525 49.167 526 2HG ARG 160 3HG ARG 160 63.914 15.157 48.206 527 1HD ARG 160 2HD ARG 160 65.851 16.072 49.162 528 2HD ARG 160 3HD ARG 160 65.842 16.662 47.501 529 HE ARG 160 HE ARG 160 64.561 18.569 49.068 530 1HH1 ARG 160 2HH1 ARG 160 67.727 17.157 48.745 531 2HH1 ARG 160 1HH1 ARG 160 68.559 18.575 49.292 532 1HH2 ARG 160 2HH2 ARG 160 65.644 20.442 49.788 533 2HH2 ARG 160 1HH2 ARG 160 67.372 20.443 49.885 534 H LEU 161 H LEU 161 61.301 18.384 46.309 535 HA LEU 161 HA LEU 161 61.072 18.445 43.440 536 1HB LEU 161 2HB LEU 161 58.847 17.616 44.926 537 2HB LEU 161 3HB LEU 161 58.523 19.289 44.477 538 HG LEU 161 HG LEU 161 59.443 17.995 42.148 539 1HD1 LEU 161 1HD1 LEU 161 58.115 16.087 41.888 540 2HD1 LEU 161 2HD1 LEU 161 57.162 16.443 43.329 541 3HD1 LEU 161 3HD1 LEU 161 58.836 15.910 43.489 542 1HD2 LEU 161 1HD2 LEU 161 56.866 19.131 43.142 543 2HD2 LEU 161 2HD2 LEU 161 56.918 18.303 41.585 544 3HD2 LEU 161 3HD2 LEU 161 57.934 19.718 41.867 545 H ILE 162 H ILE 162 59.522 20.637 43.066 546 HA ILE 162 HA ILE 162 61.187 22.768 43.616 547 HB ILE 162 HB ILE 162 58.199 22.915 43.201 548 1HG1 ILE 162 2HG1 ILE 162 59.299 21.655 41.414 549 2HG1 ILE 162 3HG1 ILE 162 58.755 23.221 40.822 550 1HG2 ILE 162 1HG2 ILE 162 60.345 24.933 43.364 551 2HG2 ILE 162 2HG2 ILE 162 59.176 25.140 42.061 552 3HG2 ILE 162 3HG2 ILE 162 58.627 25.069 43.734 553 1HD1 ILE 162 1HD1 ILE 162 61.563 22.425 41.537 554 2HD1 ILE 162 2HD1 ILE 162 60.922 22.773 39.932 555 3HD1 ILE 162 3HD1 ILE 162 61.069 24.065 41.122 556 H GLU 163 H GLU 163 61.474 24.153 45.267 557 HA GLU 163 HA GLU 163 61.428 24.941 47.406 558 1HB GLU 163 2HB GLU 163 58.547 24.828 46.609 559 2HB GLU 163 3HB GLU 163 58.963 25.263 48.261 560 1HG GLU 163 2HG GLU 163 60.593 26.937 47.036 561 2HG GLU 163 3HG GLU 163 59.422 26.744 45.732 562 HA PRO 164 HA PRO 164 60.887 20.670 49.153 563 1HB PRO 164 2HB PRO 164 63.408 20.506 50.150 564 2HB PRO 164 3HB PRO 164 62.998 20.051 48.491 565 1HG PRO 164 2HG PRO 164 64.207 22.591 49.514 566 2HG PRO 164 3HG PRO 164 64.642 21.642 48.081 567 1HD PRO 164 2HD PRO 164 63.127 23.881 47.941 568 2HD PRO 164 3HD PRO 164 62.920 22.518 46.824 Start of MODEL 10 1 1H GLN 87 H GLN 87 -14.393 37.883 36.753 2 HA GLN 87 HA GLN 87 -12.090 38.713 38.075 3 1HB GLN 87 2HB GLN 87 -13.110 36.011 38.946 4 2HB GLN 87 3HB GLN 87 -11.423 36.486 39.098 5 1HG GLN 87 2HG GLN 87 -12.181 38.433 40.465 6 2HG GLN 87 3HG GLN 87 -13.802 37.744 40.437 7 1HE2 GLN 87 1HE2 GLN 87 -11.324 38.115 42.383 8 2HE2 GLN 87 2HE2 GLN 87 -11.378 36.647 43.292 9 H LYS 88 H LYS 88 -12.783 38.542 35.456 10 HA LYS 88 HA LYS 88 -11.527 36.174 34.318 11 1HB LYS 88 2HB LYS 88 -13.223 38.385 33.300 12 2HB LYS 88 3HB LYS 88 -12.075 37.687 32.164 13 1HG LYS 88 2HG LYS 88 -13.739 36.251 31.738 14 2HG LYS 88 3HG LYS 88 -13.176 35.447 33.204 15 1HD LYS 88 2HD LYS 88 -14.898 37.495 34.053 16 2HD LYS 88 3HD LYS 88 -15.696 36.725 32.680 17 1HE LYS 88 2HE LYS 88 -15.932 34.733 33.758 18 2HE LYS 88 3HE LYS 88 -14.466 34.951 34.712 19 1HZ LYS 88 1HZ LYS 88 -16.283 36.918 35.487 20 2HZ LYS 88 2HZ LYS 88 -15.722 35.606 36.393 21 3HZ LYS 88 3HZ LYS 88 -17.124 35.450 35.461 22 H ALA 89 H ALA 89 -9.815 36.349 32.734 23 HA ALA 89 HA ALA 89 -8.337 38.681 32.252 24 1HB ALA 89 1HB ALA 89 -6.844 38.875 33.904 25 2HB ALA 89 2HB ALA 89 -7.967 37.889 34.842 26 3HB ALA 89 3HB ALA 89 -6.604 37.131 34.019 27 H SER 90 H SER 90 -6.672 38.336 30.800 28 HA SER 90 HA SER 90 -6.180 35.530 30.045 29 1HB SER 90 2HB SER 90 -7.637 37.143 28.501 30 2HB SER 90 3HB SER 90 -6.039 37.658 27.960 31 HG SER 90 HG SER 90 -7.272 35.673 27.007 32 H VAL 91 H VAL 91 -4.167 35.130 30.721 33 HA VAL 91 HA VAL 91 -2.093 37.167 30.281 34 HB VAL 91 HB VAL 91 -2.022 34.722 32.055 35 1HG1 VAL 91 1HG1 VAL 91 0.002 36.819 31.385 36 2HG1 VAL 91 2HG1 VAL 91 0.021 36.037 32.968 37 3HG1 VAL 91 3HG1 VAL 91 0.198 35.071 31.502 38 1HG2 VAL 91 1HG2 VAL 91 -3.387 36.103 33.250 39 2HG2 VAL 91 2HG2 VAL 91 -1.823 36.725 33.777 40 3HG2 VAL 91 3HG2 VAL 91 -2.731 37.568 32.520 41 H SER 92 H SER 92 -1.807 36.713 28.057 42 HA SER 92 HA SER 92 -0.603 34.090 27.470 43 1HB SER 92 2HB SER 92 -1.130 34.636 25.074 44 2HB SER 92 3HB SER 92 -2.550 34.456 26.103 45 HG SER 92 HG SER 92 -2.800 36.654 26.136 46 H GLY 93 H GLY 93 1.488 33.996 26.951 47 1HA GLY 93 2HA GLY 93 2.921 35.841 25.435 48 2HA GLY 93 3HA GLY 93 3.146 36.286 27.120 49 HA PRO 94 HA PRO 94 5.025 31.850 26.627 50 1HB PRO 94 2HB PRO 94 5.267 30.919 24.089 51 2HB PRO 94 3HB PRO 94 3.840 30.623 25.088 52 1HG PRO 94 2HG PRO 94 4.258 32.667 22.941 53 2HG PRO 94 3HG PRO 94 2.845 31.642 23.251 54 1HD PRO 94 2HD PRO 94 2.959 34.238 24.014 55 2HD PRO 94 3HD PRO 94 2.065 33.011 24.935 56 H ASN 95 H ASN 95 7.079 30.957 25.364 57 HA ASN 95 HA ASN 95 8.664 33.022 24.111 58 1HB ASN 95 2HB ASN 95 8.764 33.029 26.815 59 2HB ASN 95 3HB ASN 95 10.032 31.858 26.465 60 1HD2 ASN 95 1HD2 ASN 95 8.922 35.124 25.765 61 2HD2 ASN 95 2HD2 ASN 95 10.487 35.781 25.441 62 H SER 96 H SER 96 9.224 31.833 22.386 63 HA SER 96 HA SER 96 10.679 29.326 22.888 64 1HB SER 96 2HB SER 96 8.322 28.951 22.014 65 2HB SER 96 3HB SER 96 8.846 29.728 20.521 66 HG SER 96 HG SER 96 9.070 27.467 20.396 67 HA PRO 97 HA PRO 97 13.130 32.339 20.309 68 1HB PRO 97 2HB PRO 97 15.388 32.163 21.805 69 2HB PRO 97 3HB PRO 97 14.088 33.306 22.160 70 1HG PRO 97 2HG PRO 97 14.668 30.648 23.410 71 2HG PRO 97 3HG PRO 97 14.195 32.171 24.187 72 1HD PRO 97 2HD PRO 97 12.435 30.168 23.715 73 2HD PRO 97 3HD PRO 97 11.964 31.879 23.686 74 H SER 98 H SER 98 13.947 31.450 18.530 75 HA SER 98 HA SER 98 14.815 28.723 18.455 76 1HB SER 98 2HB SER 98 13.727 29.465 16.496 77 2HB SER 98 3HB SER 98 14.698 30.934 16.411 78 HG SER 98 HG SER 98 15.542 29.555 14.917 79 H GLU 99 H GLU 99 16.659 28.349 19.578 80 HA GLU 99 HA GLU 99 18.890 30.109 19.606 81 1HB GLU 99 2HB GLU 99 18.097 27.794 20.989 82 2HB GLU 99 3HB GLU 99 19.617 27.382 20.207 83 1HG GLU 99 2HG GLU 99 20.696 28.414 21.831 84 2HG GLU 99 3HG GLU 99 19.967 29.935 21.322 85 H THR 100 H THR 100 20.968 29.783 18.689 86 HA THR 100 HA THR 100 21.235 27.833 16.545 87 HB THR 100 HB THR 100 22.182 30.278 15.443 88 HG1 THR 100 HG1 THR 100 19.401 30.448 15.934 89 1HG2 THR 100 1HG2 THR 100 19.766 28.647 14.657 90 2HG2 THR 100 2HG2 THR 100 21.429 28.225 14.249 91 3HG2 THR 100 3HG2 THR 100 20.716 29.710 13.619 92 H ARG 101 H ARG 101 23.063 26.880 17.197 93 HA ARG 101 HA ARG 101 25.202 28.410 18.412 94 1HB ARG 101 2HB ARG 101 25.054 25.469 17.727 95 2HB ARG 101 3HB ARG 101 26.301 26.236 18.700 96 1HG ARG 101 2HG ARG 101 24.392 26.962 20.240 97 2HG ARG 101 3HG ARG 101 23.421 25.768 19.375 98 1HD ARG 101 2HD ARG 101 24.211 24.279 20.836 99 2HD ARG 101 3HD ARG 101 25.737 24.396 19.963 100 HE ARG 101 HE ARG 101 25.679 26.451 21.843 101 1HH1 ARG 101 2HH1 ARG 101 25.746 22.970 21.766 102 2HH1 ARG 101 1HH1 ARG 101 26.583 22.824 23.275 103 1HH2 ARG 101 2HH2 ARG 101 26.782 26.270 23.831 104 2HH2 ARG 101 1HH2 ARG 101 27.170 24.701 24.450 105 H ARG 102 H ARG 102 27.502 27.831 17.647 106 HA ARG 102 HA ARG 102 27.585 27.958 14.704 107 1HB ARG 102 2HB ARG 102 28.576 29.815 16.662 108 2HB ARG 102 3HB ARG 102 29.921 29.160 15.737 109 1HG ARG 102 2HG ARG 102 28.357 29.715 13.697 110 2HG ARG 102 3HG ARG 102 27.647 30.851 14.846 111 1HD ARG 102 2HD ARG 102 30.366 31.209 15.169 112 2HD ARG 102 3HD ARG 102 30.186 30.962 13.432 113 HE ARG 102 HE ARG 102 28.240 32.785 14.194 114 1HH1 ARG 102 2HH1 ARG 102 31.716 32.584 14.149 115 2HH1 ARG 102 1HH1 ARG 102 31.943 34.289 13.953 116 1HH2 ARG 102 2HH2 ARG 102 28.526 35.033 13.935 117 2HH2 ARG 102 1HH2 ARG 102 30.127 35.682 13.832 118 H GLU 103 H GLU 103 29.368 26.982 13.666 119 HA GLU 103 HA GLU 103 30.562 24.814 15.234 120 1HB GLU 103 2HB GLU 103 30.302 25.215 12.250 121 2HB GLU 103 3HB GLU 103 31.133 23.856 12.994 122 1HG GLU 103 2HG GLU 103 28.268 24.479 13.610 123 2HG GLU 103 3HG GLU 103 28.733 23.505 12.217 124 H ARG 104 H ARG 104 32.815 24.145 14.250 125 HA ARG 104 HA ARG 104 35.036 24.611 14.092 126 1HB ARG 104 2HB ARG 104 33.740 26.421 12.333 127 2HB ARG 104 3HB ARG 104 35.008 27.316 13.158 128 1HG ARG 104 2HG ARG 104 36.322 26.520 11.536 129 2HG ARG 104 3HG ARG 104 36.321 25.037 12.494 130 1HD ARG 104 2HD ARG 104 34.066 25.402 10.619 131 2HD ARG 104 3HD ARG 104 35.649 25.124 9.896 132 HE ARG 104 HE ARG 104 34.021 23.204 11.211 133 1HH1 ARG 104 2HH1 ARG 104 37.334 24.141 10.694 134 2HH1 ARG 104 1HH1 ARG 104 37.957 22.539 10.915 135 1HH2 ARG 104 2HH2 ARG 104 34.830 21.092 11.504 136 2HH2 ARG 104 1HH2 ARG 104 36.532 20.806 11.375 137 H ALA 105 H ALA 105 36.746 26.327 14.764 138 HA ALA 105 HA ALA 105 35.997 28.238 16.743 139 1HB ALA 105 1HB ALA 105 35.660 26.641 18.337 140 2HB ALA 105 2HB ALA 105 36.800 25.511 17.607 141 3HB ALA 105 3HB ALA 105 37.395 26.889 18.533 142 H PHE 106 H PHE 106 38.621 26.064 15.717 143 HA PHE 106 HA PHE 106 40.790 26.455 15.158 144 1HB PHE 106 2HB PHE 106 39.349 28.796 14.306 145 2HB PHE 106 3HB PHE 106 40.956 29.256 14.858 146 HD1 PHE 106 HD1 PHE 106 39.233 26.807 12.650 147 HD2 PHE 106 HD2 PHE 106 42.750 29.076 13.418 148 HE1 PHE 106 HE1 PHE 106 40.175 26.066 10.501 149 HE2 PHE 106 HE2 PHE 106 43.699 28.339 11.270 150 HZ PHE 106 HZ PHE 106 42.410 26.834 9.808 151 H ASP 107 H ASP 107 42.804 27.497 15.911 152 HA ASP 107 HA ASP 107 42.588 28.118 18.765 153 1HB ASP 107 2HB ASP 107 44.385 26.543 17.211 154 2HB ASP 107 3HB ASP 107 45.305 27.857 17.942 155 H ALA 108 H ALA 108 42.713 30.157 19.400 156 HA ALA 108 HA ALA 108 44.120 32.088 17.676 157 1HB ALA 108 1HB ALA 108 41.924 32.822 17.748 158 2HB ALA 108 2HB ALA 108 41.716 32.354 19.436 159 3HB ALA 108 3HB ALA 108 42.688 33.767 19.026 160 H ASN 109 H ASN 109 45.319 30.360 19.741 161 HA ASN 109 HA ASN 109 46.407 32.486 21.463 162 1HB ASN 109 2HB ASN 109 45.787 29.625 22.227 163 2HB ASN 109 3HB ASN 109 46.721 30.734 23.228 164 1HD2 ASN 109 1HD2 ASN 109 45.547 32.933 23.495 165 2HD2 ASN 109 2HD2 ASN 109 43.885 32.817 23.950 166 H THR 110 H THR 110 48.383 32.872 20.698 167 HA THR 110 HA THR 110 49.964 31.215 19.154 168 HB THR 110 HB THR 110 51.914 32.616 20.010 169 HG1 THR 110 HG1 THR 110 49.931 34.235 21.206 170 1HG2 THR 110 1HG2 THR 110 49.441 33.875 18.839 171 2HG2 THR 110 2HG2 THR 110 50.868 33.282 17.989 172 3HG2 THR 110 3HG2 THR 110 50.973 34.733 18.985 173 H MET 111 H MET 111 50.614 29.224 19.657 174 HA MET 111 HA MET 111 51.930 28.813 22.252 175 1HB MET 111 2HB MET 111 50.961 26.468 22.211 176 2HB MET 111 3HB MET 111 49.832 27.767 22.568 177 1HG MET 111 2HG MET 111 48.583 27.313 20.788 178 2HG MET 111 3HG MET 111 49.988 27.187 19.731 179 1HE MET 111 1HE MET 111 49.889 23.940 18.600 180 2HE MET 111 2HE MET 111 50.620 25.544 18.661 181 3HE MET 111 3HE MET 111 51.325 24.216 19.585 182 H THR 112 H THR 112 54.002 28.714 21.572 183 HA THR 112 HA THR 112 54.638 26.843 19.388 184 HB THR 112 HB THR 112 56.707 28.070 19.041 185 HG1 THR 112 HG1 THR 112 57.253 29.811 20.312 186 1HG2 THR 112 1HG2 THR 112 55.706 30.342 18.454 187 2HG2 THR 112 2HG2 THR 112 54.194 29.723 19.120 188 3HG2 THR 112 3HG2 THR 112 54.941 28.926 17.735 189 H SER 113 H SER 113 54.171 26.031 22.116 190 HA SER 113 HA SER 113 55.066 24.715 23.741 191 1HB SER 113 2HB SER 113 57.390 24.170 21.907 192 2HB SER 113 3HB SER 113 56.617 23.081 23.060 193 HG SER 113 HG SER 113 56.144 23.098 20.566 194 H ALA 114 H ALA 114 55.888 27.556 23.520 195 HA ALA 114 HA ALA 114 58.474 27.402 24.928 196 1HB ALA 114 1HB ALA 114 59.201 29.171 23.785 197 2HB ALA 114 2HB ALA 114 57.819 28.918 22.717 198 3HB ALA 114 3HB ALA 114 57.703 30.062 24.054 199 H GLU 115 H GLU 115 55.821 26.982 26.096 200 HA GLU 115 HA GLU 115 55.911 29.147 28.084 201 1HB GLU 115 2HB GLU 115 53.317 27.846 27.305 202 2HB GLU 115 3HB GLU 115 53.576 29.360 28.162 203 1HG GLU 115 2HG GLU 115 54.800 29.814 25.750 204 2HG GLU 115 3HG GLU 115 53.408 28.829 25.307 205 H LYS 116 H LYS 116 54.118 26.099 27.625 206 HA LYS 116 HA LYS 116 54.292 25.404 30.378 207 1HB LYS 116 2HB LYS 116 53.030 24.365 27.991 208 2HB LYS 116 3HB LYS 116 53.751 23.063 28.929 209 1HG LYS 116 2HG LYS 116 52.429 23.535 30.806 210 2HG LYS 116 3HG LYS 116 51.969 25.122 30.188 211 1HD LYS 116 2HD LYS 116 50.546 24.183 28.556 212 2HD LYS 116 3HD LYS 116 51.230 22.571 28.776 213 1HE LYS 116 2HE LYS 116 49.029 22.736 29.810 214 2HE LYS 116 3HE LYS 116 50.279 22.474 31.026 215 1HZ LYS 116 1HZ LYS 116 48.842 24.140 31.848 216 2HZ LYS 116 2HZ LYS 116 48.875 25.007 30.395 217 3HZ LYS 116 3HZ LYS 116 50.256 24.938 31.369 218 H VAL 117 H VAL 117 55.023 22.922 30.739 219 HA VAL 117 HA VAL 117 57.855 22.859 29.937 220 HB VAL 117 HB VAL 117 56.631 21.395 32.272 221 1HG1 VAL 117 1HG1 VAL 117 58.658 20.383 31.876 222 2HG1 VAL 117 2HG1 VAL 117 59.398 21.860 31.258 223 3HG1 VAL 117 3HG1 VAL 117 59.133 21.663 32.991 224 1HG2 VAL 117 1HG2 VAL 117 57.829 24.152 32.144 225 2HG2 VAL 117 2HG2 VAL 117 56.244 23.680 32.756 226 3HG2 VAL 117 3HG2 VAL 117 57.701 23.232 33.642 227 H LEU 118 H LEU 118 58.829 20.820 29.455 228 HA LEU 118 HA LEU 118 56.911 18.765 28.574 229 1HB LEU 118 2HB LEU 118 59.115 20.102 27.144 230 2HB LEU 118 3HB LEU 118 59.006 18.356 26.924 231 HG LEU 118 HG LEU 118 56.715 20.241 26.403 232 1HD1 LEU 118 1HD1 LEU 118 57.260 20.090 24.053 233 2HD1 LEU 118 2HD1 LEU 118 58.662 19.083 24.414 234 3HD1 LEU 118 3HD1 LEU 118 58.626 20.765 24.941 235 1HD2 LEU 118 1HD2 LEU 118 57.041 17.371 26.435 236 2HD2 LEU 118 2HD2 LEU 118 56.522 17.943 24.849 237 3HD2 LEU 118 3HD2 LEU 118 55.573 18.338 26.282 238 H CYS 119 H CYS 119 57.542 16.523 28.770 239 HA CYS 119 HA CYS 119 59.490 16.171 30.861 240 1HB CYS 119 2HB CYS 119 57.302 15.002 30.935 241 2HB CYS 119 3HB CYS 119 57.722 14.127 29.475 242 H GLN 120 H GLN 120 61.550 15.892 30.341 243 HA GLN 120 HA GLN 120 62.455 15.389 27.685 244 1HB GLN 120 2HB GLN 120 63.599 16.224 30.182 245 2HB GLN 120 3HB GLN 120 64.573 14.927 29.501 246 1HG GLN 120 2HG GLN 120 65.517 16.889 28.667 247 2HG GLN 120 3HG GLN 120 64.549 16.255 27.337 248 1HE2 GLN 120 1HE2 GLN 120 64.143 18.369 30.162 249 2HE2 GLN 120 2HE2 GLN 120 63.227 19.580 29.337 250 H PHE 121 H PHE 121 61.804 13.411 30.461 251 HA PHE 121 HA PHE 121 63.296 11.137 29.528 252 1HB PHE 121 2HB PHE 121 62.396 11.856 31.971 253 2HB PHE 121 3HB PHE 121 61.119 10.739 31.498 254 HD1 PHE 121 HD1 PHE 121 61.582 8.383 31.171 255 HD2 PHE 121 HD2 PHE 121 64.643 11.087 32.369 256 HE1 PHE 121 HE1 PHE 121 63.003 6.482 31.818 257 HE2 PHE 121 HE2 PHE 121 66.069 9.190 33.017 258 HZ PHE 121 HZ PHE 121 65.251 6.884 32.741 259 H CYS 122 H CYS 122 60.078 12.454 28.982 260 HA CYS 122 HA CYS 122 58.775 10.068 28.377 261 1HB CYS 122 2HB CYS 122 58.292 12.955 27.956 262 2HB CYS 122 3HB CYS 122 57.530 11.911 26.773 263 H ASP 123 H ASP 123 58.202 9.338 26.205 264 HA ASP 123 HA ASP 123 60.054 10.066 24.060 265 1HB ASP 123 2HB ASP 123 60.299 7.692 25.598 266 2HB ASP 123 3HB ASP 123 59.710 7.225 24.005 267 H GLN 124 H GLN 124 57.163 10.424 24.636 268 HA GLN 124 HA GLN 124 55.678 8.681 22.954 269 1HB GLN 124 2HB GLN 124 55.161 11.182 24.449 270 2HB GLN 124 3HB GLN 124 54.113 10.878 23.070 271 1HG GLN 124 2HG GLN 124 53.340 8.840 23.991 272 2HG GLN 124 3HG GLN 124 54.582 8.858 25.242 273 1HE2 GLN 124 1HE2 GLN 124 53.649 9.161 27.129 274 2HE2 GLN 124 2HE2 GLN 124 52.414 10.316 27.481 275 H ASP 125 H ASP 125 56.900 11.992 22.520 276 HA ASP 125 HA ASP 125 57.376 13.205 20.655 277 1HB ASP 125 2HB ASP 125 58.608 11.023 20.113 278 2HB ASP 125 3HB ASP 125 57.244 10.650 19.063 279 HA PRO 126 HA PRO 126 56.476 14.892 20.878 280 1HB PRO 126 2HB PRO 126 54.382 16.227 21.973 281 2HB PRO 126 3HB PRO 126 54.975 16.545 20.339 282 1HG PRO 126 2HG PRO 126 52.639 14.893 21.218 283 2HG PRO 126 3HG PRO 126 52.753 16.043 19.873 284 1HD PRO 126 2HD PRO 126 52.925 13.364 19.517 285 2HD PRO 126 3HD PRO 126 53.801 14.522 18.495 286 H ALA 127 H ALA 127 56.903 15.146 23.097 287 HA ALA 127 HA ALA 127 56.176 12.884 24.715 288 1HB ALA 127 1HB ALA 127 58.263 13.352 25.364 289 2HB ALA 127 2HB ALA 127 58.161 15.023 24.809 290 3HB ALA 127 3HB ALA 127 57.521 14.579 26.391 291 H GLN 128 H GLN 128 55.250 13.027 26.850 292 HA GLN 128 HA GLN 128 52.939 14.711 26.911 293 1HB GLN 128 2HB GLN 128 53.315 12.288 27.861 294 2HB GLN 128 3HB GLN 128 53.855 13.153 29.294 295 1HG GLN 128 2HG GLN 128 51.618 14.432 29.065 296 2HG GLN 128 3HG GLN 128 51.145 13.073 28.048 297 1HE2 GLN 128 1HE2 GLN 128 49.569 13.189 30.010 298 2HE2 GLN 128 2HE2 GLN 128 49.960 12.123 31.312 299 H ASP 129 H ASP 129 52.546 16.512 28.086 300 HA ASP 129 HA ASP 129 54.585 18.205 28.858 301 1HB ASP 129 2HB ASP 129 51.745 18.137 29.900 302 2HB ASP 129 3HB ASP 129 52.853 19.496 30.064 303 H ALA 130 H ALA 130 55.781 18.511 30.648 304 HA ALA 130 HA ALA 130 55.507 16.548 32.795 305 1HB ALA 130 1HB ALA 130 57.755 17.894 33.427 306 2HB ALA 130 2HB ALA 130 57.714 16.507 32.338 307 3HB ALA 130 3HB ALA 130 57.718 18.144 31.682 308 H VAL 131 H VAL 131 54.651 17.041 34.702 309 HA VAL 131 HA VAL 131 54.329 19.888 35.396 310 HB VAL 131 HB VAL 131 52.451 19.097 36.871 311 1HG1 VAL 131 1HG1 VAL 131 51.366 19.979 35.134 312 2HG1 VAL 131 2HG1 VAL 131 52.516 19.308 33.976 313 3HG1 VAL 131 3HG1 VAL 131 51.165 18.328 34.549 314 1HG2 VAL 131 1HG2 VAL 131 53.321 16.684 36.793 315 2HG2 VAL 131 2HG2 VAL 131 51.577 16.935 36.709 316 3HG2 VAL 131 3HG2 VAL 131 52.488 16.577 35.242 317 H LYS 132 H LYS 132 56.616 18.047 35.960 318 HA LYS 132 HA LYS 132 56.783 18.615 38.816 319 1HB LYS 132 2HB LYS 132 56.630 15.930 37.642 320 2HB LYS 132 3HB LYS 132 58.011 16.160 38.707 321 1HG LYS 132 2HG LYS 132 56.610 15.634 40.355 322 2HG LYS 132 3HG LYS 132 55.962 17.263 40.152 323 1HD LYS 132 2HD LYS 132 54.298 16.394 38.572 324 2HD LYS 132 3HD LYS 132 54.941 14.765 38.800 325 1HE LYS 132 2HE LYS 132 54.204 14.674 41.031 326 2HE LYS 132 3HE LYS 132 53.947 16.417 41.105 327 1HZ LYS 132 1HZ LYS 132 52.401 14.962 39.114 328 2HZ LYS 132 2HZ LYS 132 51.947 16.255 40.105 329 3HZ LYS 132 3HZ LYS 132 51.985 14.684 40.731 330 H THR 133 H THR 133 59.014 18.417 39.640 331 HA THR 133 HA THR 133 61.171 18.252 37.744 332 HB THR 133 HB THR 133 61.213 20.868 39.124 333 HG1 THR 133 HG1 THR 133 59.647 20.537 36.770 334 1HG2 THR 133 1HG2 THR 133 62.799 21.257 37.603 335 2HG2 THR 133 2HG2 THR 133 61.710 20.849 36.278 336 3HG2 THR 133 3HG2 THR 133 62.627 19.580 37.090 337 H CYS 134 H CYS 134 62.511 16.913 38.931 338 HA CYS 134 HA CYS 134 62.638 17.329 41.780 339 1HB CYS 134 2HB CYS 134 62.504 15.040 40.951 340 2HB CYS 134 3HB CYS 134 63.948 15.261 39.985 341 H VAL 135 H VAL 135 63.963 18.861 42.488 342 HA VAL 135 HA VAL 135 65.942 20.175 41.010 343 HB VAL 135 HB VAL 135 66.728 21.068 43.206 344 1HG1 VAL 135 1HG1 VAL 135 64.320 21.507 41.868 345 2HG1 VAL 135 2HG1 VAL 135 63.897 21.459 43.581 346 3HG1 VAL 135 3HG1 VAL 135 65.121 22.592 43.005 347 1HG2 VAL 135 1HG2 VAL 135 65.272 20.490 45.187 348 2HG2 VAL 135 2HG2 VAL 135 64.695 19.111 44.252 349 3HG2 VAL 135 3HG2 VAL 135 66.403 19.237 44.673 350 H THR 136 H THR 136 66.184 17.527 43.346 351 HA THR 136 HA THR 136 68.984 17.388 43.471 352 HB THR 136 HB THR 136 66.895 15.248 43.885 353 HG1 THR 136 HG1 THR 136 68.390 16.950 45.603 354 1HG2 THR 136 1HG2 THR 136 68.918 14.221 45.210 355 2HG2 THR 136 2HG2 THR 136 69.873 15.137 44.045 356 3HG2 THR 136 3HG2 THR 136 68.731 13.916 43.484 357 H CYS 137 H CYS 137 66.648 16.099 41.089 358 HA CYS 137 HA CYS 137 68.712 14.511 39.859 359 1HB CYS 137 2HB CYS 137 65.778 14.950 39.308 360 2HB CYS 137 3HB CYS 137 66.805 14.167 38.123 361 H GLU 138 H GLU 138 67.334 17.652 39.745 362 HA GLU 138 HA GLU 138 67.773 19.522 38.524 363 1HB GLU 138 2HB GLU 138 70.167 18.472 38.829 364 2HB GLU 138 3HB GLU 138 70.026 18.160 37.105 365 1HG GLU 138 2HG GLU 138 69.289 20.754 37.195 366 2HG GLU 138 3HG GLU 138 70.421 20.688 38.545 367 H VAL 139 H VAL 139 65.933 17.583 37.528 368 HA VAL 139 HA VAL 139 65.876 18.422 34.745 369 HB VAL 139 HB VAL 139 65.771 15.497 35.500 370 1HG1 VAL 139 1HG1 VAL 139 64.174 15.905 33.770 371 2HG1 VAL 139 2HG1 VAL 139 65.323 16.895 32.868 372 3HG1 VAL 139 3HG1 VAL 139 65.591 15.159 33.032 373 1HG2 VAL 139 1HG2 VAL 139 68.038 16.133 35.458 374 2HG2 VAL 139 2HG2 VAL 139 67.730 15.407 33.880 375 3HG2 VAL 139 3HG2 VAL 139 67.808 17.161 34.044 376 H SER 140 H SER 140 63.818 18.477 33.864 377 HA SER 140 HA SER 140 61.657 18.295 35.814 378 1HB SER 140 2HB SER 140 60.529 19.851 34.555 379 2HB SER 140 3HB SER 140 62.177 20.242 34.065 380 HG SER 140 HG SER 140 61.619 19.730 32.118 381 H TYR 141 H TYR 141 60.154 16.750 35.814 382 HA TYR 141 HA TYR 141 59.898 15.037 33.434 383 1HB TYR 141 2HB TYR 141 59.878 14.087 36.306 384 2HB TYR 141 3HB TYR 141 59.660 13.079 34.880 385 HD1 TYR 141 HD1 TYR 141 61.671 13.457 33.081 386 HD2 TYR 141 HD2 TYR 141 61.951 13.980 37.294 387 HE1 TYR 141 HE1 TYR 141 64.101 13.100 32.958 388 HE2 TYR 141 HE2 TYR 141 64.382 13.626 37.182 389 HH TYR 141 HH TYR 141 65.975 12.328 35.455 390 H CYS 142 H CYS 142 57.793 13.520 33.734 391 HA CYS 142 HA CYS 142 55.691 15.419 34.431 392 1HB CYS 142 2HB CYS 142 54.236 14.144 32.982 393 2HB CYS 142 3HB CYS 142 55.707 14.539 32.115 394 H ASP 143 H ASP 143 53.696 13.387 34.649 395 HA ASP 143 HA ASP 143 54.108 12.579 37.383 396 1HB ASP 143 2HB ASP 143 51.889 13.237 35.858 397 2HB ASP 143 3HB ASP 143 51.730 11.496 36.080 398 H GLU 144 H GLU 144 53.025 10.743 34.518 399 HA GLU 144 HA GLU 144 53.279 8.204 35.440 400 1HB GLU 144 2HB GLU 144 54.088 9.191 32.699 401 2HB GLU 144 3HB GLU 144 53.780 7.511 33.113 402 1HG GLU 144 2HG GLU 144 51.734 9.695 33.395 403 2HG GLU 144 3HG GLU 144 51.905 8.688 31.959 404 H CYS 145 H CYS 145 55.977 9.921 33.681 405 HA CYS 145 HA CYS 145 57.868 8.009 34.060 406 1HB CYS 145 2HB CYS 145 58.087 11.018 33.875 407 2HB CYS 145 3HB CYS 145 59.509 10.006 34.032 408 H LEU 146 H LEU 146 57.190 10.845 36.112 409 HA LEU 146 HA LEU 146 58.957 10.404 38.175 410 1HB LEU 146 2HB LEU 146 57.627 12.421 37.986 411 2HB LEU 146 3HB LEU 146 56.156 11.510 38.321 412 HG LEU 146 HG LEU 146 57.542 10.969 40.560 413 1HD1 LEU 146 1HD1 LEU 146 59.420 12.416 39.750 414 2HD1 LEU 146 2HD1 LEU 146 58.763 12.859 41.325 415 3HD1 LEU 146 3HD1 LEU 146 58.333 13.796 39.895 416 1HD2 LEU 146 1HD2 LEU 146 55.381 11.740 40.811 417 2HD2 LEU 146 2HD2 LEU 146 55.669 13.184 39.839 418 3HD2 LEU 146 3HD2 LEU 146 56.323 13.075 41.474 419 H LYS 147 H LYS 147 55.988 8.744 37.462 420 HA LYS 147 HA LYS 147 55.652 7.524 40.017 421 1HB LYS 147 2HB LYS 147 54.047 7.798 37.866 422 2HB LYS 147 3HB LYS 147 54.597 6.147 37.617 423 1HG LYS 147 2HG LYS 147 53.781 5.508 39.803 424 2HG LYS 147 3HG LYS 147 53.302 7.175 40.134 425 1HD LYS 147 2HD LYS 147 51.641 7.113 38.417 426 2HD LYS 147 3HD LYS 147 52.224 5.552 37.834 427 1HE LYS 147 2HE LYS 147 50.852 4.508 39.232 428 2HE LYS 147 3HE LYS 147 51.627 5.301 40.601 429 1HZ LYS 147 1HZ LYS 147 49.994 7.210 39.500 430 2HZ LYS 147 2HZ LYS 147 49.707 6.336 40.920 431 3HZ LYS 147 3HZ LYS 147 49.072 5.793 39.448 432 H ALA 148 H ALA 148 57.236 6.580 37.010 433 HA ALA 148 HA ALA 148 57.912 3.952 37.977 434 1HB ALA 148 1HB ALA 148 58.339 5.482 35.476 435 2HB ALA 148 2HB ALA 148 59.473 4.180 35.836 436 3HB ALA 148 3HB ALA 148 57.747 3.838 35.715 437 H THR 149 H THR 149 59.742 6.919 37.240 438 HA THR 149 HA THR 149 62.211 5.907 38.225 439 HB THR 149 HB THR 149 61.430 8.807 37.891 440 HG1 THR 149 HG1 THR 149 61.249 8.165 35.863 441 1HG2 THR 149 1HG2 THR 149 63.583 9.336 38.257 442 2HG2 THR 149 2HG2 THR 149 64.174 7.957 37.330 443 3HG2 THR 149 3HG2 THR 149 63.692 7.747 39.013 444 H HIS 150 H HIS 150 59.779 8.119 39.578 445 HA HIS 150 HA HIS 150 61.051 7.779 42.213 446 1HB HIS 150 2HB HIS 150 59.368 10.047 41.139 447 2HB HIS 150 3HB HIS 150 59.860 9.904 42.824 448 HD2 HIS 150 HD2 HIS 150 61.163 12.455 42.044 449 HE1 HIS 150 HE1 HIS 150 64.460 10.377 40.368 450 HA PRO 151 HA PRO 151 56.999 5.543 42.398 451 1HB PRO 151 2HB PRO 151 57.970 3.432 43.802 452 2HB PRO 151 3HB PRO 151 58.033 3.523 42.038 453 1HG PRO 151 2HG PRO 151 60.176 4.115 44.043 454 2HG PRO 151 3HG PRO 151 60.292 3.232 42.510 455 1HD PRO 151 2HD PRO 151 61.072 5.811 42.767 456 2HD PRO 151 3HD PRO 151 60.395 5.165 41.259 457 H ASN 152 H ASN 152 56.419 7.347 43.805 458 HA ASN 152 HA ASN 152 57.235 7.696 46.430 459 1HB ASN 152 2HB ASN 152 54.834 8.642 46.723 460 2HB ASN 152 3HB ASN 152 55.916 9.423 45.573 461 1HD2 ASN 152 1HD2 ASN 152 55.038 9.884 43.703 462 2HD2 ASN 152 2HD2 ASN 152 53.728 9.046 42.951 463 H LYS 153 H LYS 153 55.586 7.424 48.334 464 HA LYS 153 HA LYS 153 54.510 4.685 48.284 465 1HB LYS 153 2HB LYS 153 56.336 5.963 50.294 466 2HB LYS 153 3HB LYS 153 55.241 4.676 50.782 467 1HG LYS 153 2HG LYS 153 57.023 4.265 48.429 468 2HG LYS 153 3HG LYS 153 57.683 4.131 50.060 469 1HD LYS 153 2HD LYS 153 55.182 2.711 49.844 470 2HD LYS 153 3HD LYS 153 56.323 2.163 48.612 471 1HE LYS 153 2HE LYS 153 57.253 2.494 51.428 472 2HE LYS 153 3HE LYS 153 56.301 1.075 50.996 473 1HZ LYS 153 1HZ LYS 153 58.297 0.238 50.463 474 2HZ LYS 153 2HZ LYS 153 59.027 1.754 50.298 475 3HZ LYS 153 3HZ LYS 153 58.109 1.118 49.029 476 H LYS 154 H LYS 154 54.652 7.104 50.868 477 HA LYS 154 HA LYS 154 52.108 8.184 50.612 478 1HB LYS 154 2HB LYS 154 52.030 5.480 51.496 479 2HB LYS 154 3HB LYS 154 51.582 6.500 52.857 480 1HG LYS 154 2HG LYS 154 49.702 7.317 51.800 481 2HG LYS 154 3HG LYS 154 50.319 6.943 50.189 482 1HD LYS 154 2HD LYS 154 50.075 4.534 50.697 483 2HD LYS 154 3HD LYS 154 49.366 4.961 52.257 484 1HE LYS 154 2HE LYS 154 47.590 6.203 51.050 485 2HE LYS 154 3HE LYS 154 48.269 5.630 49.528 486 1HZ LYS 154 1HZ LYS 154 46.718 4.192 51.526 487 2HZ LYS 154 2HZ LYS 154 47.978 3.329 50.800 488 3HZ LYS 154 3HZ LYS 154 46.757 4.005 49.845 489 HA PRO 155 HA PRO 155 51.667 10.001 50.819 490 1HB PRO 155 2HB PRO 155 52.899 12.411 50.621 491 2HB PRO 155 3HB PRO 155 51.624 12.078 51.798 492 1HG PRO 155 2HG PRO 155 54.593 12.105 52.179 493 2HG PRO 155 3HG PRO 155 53.325 12.767 53.227 494 1HD PRO 155 2HD PRO 155 54.533 10.395 53.722 495 2HD PRO 155 3HD PRO 155 52.839 10.712 54.150 496 H PHE 156 H PHE 156 55.170 10.646 51.060 497 HA PHE 156 HA PHE 156 55.504 9.512 48.380 498 1HB PHE 156 2HB PHE 156 56.269 12.271 49.263 499 2HB PHE 156 3HB PHE 156 57.245 11.444 48.054 500 HD1 PHE 156 HD1 PHE 156 53.701 12.321 48.795 501 HD2 PHE 156 HD2 PHE 156 56.679 11.646 45.830 502 HE1 PHE 156 HE1 PHE 156 52.116 13.019 47.048 503 HE2 PHE 156 HE2 PHE 156 55.100 12.345 44.079 504 HZ PHE 156 HZ PHE 156 52.814 13.033 44.686 505 H THR 157 H THR 157 57.322 10.974 51.077 506 HA THR 157 HA THR 157 59.424 10.465 51.880 507 HB THR 157 HB THR 157 57.948 9.016 53.187 508 HG1 THR 157 HG1 THR 157 59.614 7.321 53.582 509 1HG2 THR 157 1HG2 THR 157 56.862 7.670 51.581 510 2HG2 THR 157 2HG2 THR 157 57.873 6.561 52.506 511 3HG2 THR 157 3HG2 THR 157 58.389 7.101 50.909 512 H GLY 158 H GLY 158 59.576 10.572 49.116 513 1HA GLY 158 2HA GLY 158 61.423 8.338 48.538 514 2HA GLY 158 3HA GLY 158 60.366 9.028 47.316 515 H HIS 159 H HIS 159 60.929 10.922 46.303 516 HA HIS 159 HA HIS 159 63.642 11.900 46.895 517 1HB HIS 159 2HB HIS 159 62.652 10.910 44.525 518 2HB HIS 159 3HB HIS 159 62.504 12.651 44.301 519 HD2 HIS 159 HD2 HIS 159 65.476 12.919 46.183 520 HE1 HIS 159 HE1 HIS 159 66.975 11.408 42.512 521 H ARG 160 H ARG 160 63.765 14.251 45.668 522 HA ARG 160 HA ARG 160 61.909 15.886 47.221 523 1HB ARG 160 2HB ARG 160 64.648 16.077 46.641 524 2HB ARG 160 3HB ARG 160 63.888 17.391 45.752 525 1HG ARG 160 2HG ARG 160 63.218 18.474 47.648 526 2HG ARG 160 3HG ARG 160 63.135 16.989 48.599 527 1HD ARG 160 2HD ARG 160 65.567 16.879 48.662 528 2HD ARG 160 3HD ARG 160 65.672 18.329 47.665 529 HE ARG 160 HE ARG 160 64.163 18.803 50.026 530 1HH1 ARG 160 2HH1 ARG 160 67.413 18.441 48.833 531 2HH1 ARG 160 1HH1 ARG 160 68.119 19.413 50.082 532 1HH2 ARG 160 2HH2 ARG 160 65.080 20.083 51.676 533 2HH2 ARG 160 1HH2 ARG 160 66.791 20.345 51.699 534 H LEU 161 H LEU 161 61.456 18.110 46.060 535 HA LEU 161 HA LEU 161 60.959 17.892 43.227 536 1HB LEU 161 2HB LEU 161 58.970 17.056 45.036 537 2HB LEU 161 3HB LEU 161 58.456 18.624 44.415 538 HG LEU 161 HG LEU 161 59.066 17.450 42.098 539 1HD1 LEU 161 1HD1 LEU 161 57.783 15.077 43.097 540 2HD1 LEU 161 2HD1 LEU 161 59.333 15.333 43.898 541 3HD1 LEU 161 3HD1 LEU 161 59.254 15.239 42.138 542 1HD2 LEU 161 1HD2 LEU 161 56.519 16.502 42.498 543 2HD2 LEU 161 2HD2 LEU 161 56.944 18.134 41.982 544 3HD2 LEU 161 3HD2 LEU 161 56.649 17.796 43.689 545 H ILE 162 H ILE 162 59.180 19.903 42.842 546 HA ILE 162 HA ILE 162 60.683 22.208 43.010 547 HB ILE 162 HB ILE 162 57.698 21.863 42.802 548 1HG1 ILE 162 2HG1 ILE 162 58.402 22.863 40.455 549 2HG1 ILE 162 3HG1 ILE 162 59.976 22.212 40.900 550 1HG2 ILE 162 1HG2 ILE 162 59.337 24.361 42.904 551 2HG2 ILE 162 2HG2 ILE 162 57.864 24.303 41.938 552 3HG2 ILE 162 3HG2 ILE 162 57.791 24.004 43.674 553 1HD1 ILE 162 1HD1 ILE 162 57.590 20.454 41.115 554 2HD1 ILE 162 2HD1 ILE 162 58.269 20.793 39.523 555 3HD1 ILE 162 3HD1 ILE 162 59.270 20.045 40.768 556 H GLU 163 H GLU 163 61.295 23.441 44.650 557 HA GLU 163 HA GLU 163 60.629 23.060 47.300 558 1HB GLU 163 2HB GLU 163 61.908 25.240 45.756 559 2HB GLU 163 3HB GLU 163 61.309 25.668 47.352 560 1HG GLU 163 2HG GLU 163 62.643 23.318 47.818 561 2HG GLU 163 3HG GLU 163 63.631 24.094 46.583 562 HA PRO 164 HA PRO 164 56.740 24.932 48.072 563 1HB PRO 164 2HB PRO 164 57.134 26.141 50.470 564 2HB PRO 164 3HB PRO 164 57.021 24.386 50.285 565 1HG PRO 164 2HG PRO 164 59.455 26.111 50.537 566 2HG PRO 164 3HG PRO 164 59.104 24.553 51.306 567 1HD PRO 164 2HD PRO 164 60.696 24.776 49.128 568 2HD PRO 164 3HD PRO 164 59.679 23.352 49.425 Start of MODEL 11 1 1H GLN 87 H GLN 87 -12.096 20.456 2.993 2 HA GLN 87 HA GLN 87 -11.483 18.010 2.566 3 1HB GLN 87 2HB GLN 87 -13.785 18.496 0.682 4 2HB GLN 87 3HB GLN 87 -12.619 17.203 0.432 5 1HG GLN 87 2HG GLN 87 -14.057 17.446 3.038 6 2HG GLN 87 3HG GLN 87 -14.846 16.706 1.646 7 1HE2 GLN 87 1HE2 GLN 87 -12.989 16.129 4.313 8 2HE2 GLN 87 2HE2 GLN 87 -12.338 14.589 3.877 9 H LYS 88 H LYS 88 -10.220 20.382 2.278 10 HA LYS 88 HA LYS 88 -9.693 21.008 -0.472 11 1HB LYS 88 2HB LYS 88 -8.136 22.613 0.353 12 2HB LYS 88 3HB LYS 88 -9.521 22.641 1.436 13 1HG LYS 88 2HG LYS 88 -7.740 20.756 2.504 14 2HG LYS 88 3HG LYS 88 -6.765 22.148 2.028 15 1HD LYS 88 2HD LYS 88 -7.374 22.843 4.108 16 2HD LYS 88 3HD LYS 88 -8.764 23.450 3.206 17 1HE LYS 88 2HE LYS 88 -10.144 21.722 3.936 18 2HE LYS 88 3HE LYS 88 -8.782 20.693 4.376 19 1HZ LYS 88 1HZ LYS 88 -8.283 22.230 6.194 20 2HZ LYS 88 2HZ LYS 88 -9.835 21.571 6.341 21 3HZ LYS 88 3HZ LYS 88 -9.640 23.159 5.791 22 H ALA 89 H ALA 89 -7.652 20.761 -1.541 23 HA ALA 89 HA ALA 89 -5.796 18.802 -0.438 24 1HB ALA 89 1HB ALA 89 -7.555 17.535 -1.685 25 2HB ALA 89 2HB ALA 89 -7.031 18.366 -3.150 26 3HB ALA 89 3HB ALA 89 -5.914 17.305 -2.291 27 H SER 90 H SER 90 -3.730 19.138 -1.065 28 HA SER 90 HA SER 90 -3.038 20.509 -3.483 29 1HB SER 90 2HB SER 90 -3.201 21.997 -0.926 30 2HB SER 90 3HB SER 90 -1.742 22.261 -1.882 31 HG SER 90 HG SER 90 -4.220 22.340 -3.178 32 H VAL 91 H VAL 91 -0.904 20.230 -4.026 33 HA VAL 91 HA VAL 91 0.519 18.189 -2.622 34 HB VAL 91 HB VAL 91 2.229 18.427 -4.331 35 1HG1 VAL 91 1HG1 VAL 91 -0.551 18.626 -5.486 36 2HG1 VAL 91 2HG1 VAL 91 0.866 17.976 -6.314 37 3HG1 VAL 91 3HG1 VAL 91 0.223 17.158 -4.890 38 1HG2 VAL 91 1HG2 VAL 91 0.708 20.906 -5.113 39 2HG2 VAL 91 2HG2 VAL 91 2.376 20.804 -4.550 40 3HG2 VAL 91 3HG2 VAL 91 1.935 20.144 -6.124 41 H SER 92 H SER 92 2.619 18.342 -1.702 42 HA SER 92 HA SER 92 3.463 21.044 -0.916 43 1HB SER 92 2HB SER 92 4.008 20.056 1.369 44 2HB SER 92 3HB SER 92 2.297 20.289 1.015 45 HG SER 92 HG SER 92 3.694 17.979 1.464 46 H GLY 93 H GLY 93 5.698 20.904 0.203 47 1HA GLY 93 2HA GLY 93 7.344 18.802 -1.036 48 2HA GLY 93 3HA GLY 93 7.753 20.490 -1.302 49 HA PRO 94 HA PRO 94 8.476 19.682 3.412 50 1HB PRO 94 2HB PRO 94 8.297 17.103 4.246 51 2HB PRO 94 3HB PRO 94 6.919 18.210 4.242 52 1HG PRO 94 2HG PRO 94 7.659 16.100 2.253 53 2HG PRO 94 3HG PRO 94 6.066 16.496 2.923 54 1HD PRO 94 2HD PRO 94 6.862 17.326 0.472 55 2HD PRO 94 3HD PRO 94 5.769 18.280 1.495 56 H ASN 95 H ASN 95 10.529 19.514 4.159 57 HA ASN 95 HA ASN 95 12.308 17.520 2.945 58 1HB ASN 95 2HB ASN 95 12.425 20.400 2.599 59 2HB ASN 95 3HB ASN 95 13.909 19.778 3.316 60 1HD2 ASN 95 1HD2 ASN 95 11.668 18.390 0.950 61 2HD2 ASN 95 2HD2 ASN 95 12.849 18.158 -0.289 62 H SER 96 H SER 96 12.912 16.293 4.606 63 HA SER 96 HA SER 96 12.949 17.142 7.300 64 1HB SER 96 2HB SER 96 13.791 14.707 5.815 65 2HB SER 96 3HB SER 96 14.486 14.948 7.417 66 HG SER 96 HG SER 96 11.991 14.163 6.732 67 HA PRO 97 HA PRO 97 16.900 18.957 7.870 68 1HB PRO 97 2HB PRO 97 17.663 17.962 10.278 69 2HB PRO 97 3HB PRO 97 16.379 19.164 10.098 70 1HG PRO 97 2HG PRO 97 16.161 16.200 10.457 71 2HG PRO 97 3HG PRO 97 15.214 17.493 11.218 72 1HD PRO 97 2HD PRO 97 14.291 16.053 9.118 73 2HD PRO 97 3HD PRO 97 13.856 17.756 9.374 74 H SER 98 H SER 98 19.076 18.617 7.558 75 HA SER 98 HA SER 98 20.074 15.864 7.580 76 1HB SER 98 2HB SER 98 20.924 15.952 5.370 77 2HB SER 98 3HB SER 98 19.273 16.561 5.249 78 HG SER 98 HG SER 98 20.333 18.105 4.222 79 H GLU 99 H GLU 99 22.517 15.870 7.140 80 HA GLU 99 HA GLU 99 23.700 18.143 8.594 81 1HB GLU 99 2HB GLU 99 24.768 15.321 8.429 82 2HB GLU 99 3HB GLU 99 25.384 16.625 9.435 83 1HG GLU 99 2HG GLU 99 22.968 16.608 10.426 84 2HG GLU 99 3HG GLU 99 22.929 14.974 9.765 85 H THR 100 H THR 100 23.874 19.226 6.505 86 HA THR 100 HA THR 100 26.019 18.157 4.799 87 HB THR 100 HB THR 100 24.253 20.467 4.035 88 HG1 THR 100 HG1 THR 100 23.647 17.812 3.285 89 1HG2 THR 100 1HG2 THR 100 25.333 18.373 2.195 90 2HG2 THR 100 2HG2 THR 100 26.406 19.637 2.796 91 3HG2 THR 100 3HG2 THR 100 24.965 20.068 1.876 92 H ARG 101 H ARG 101 26.734 19.325 7.240 93 HA ARG 101 HA ARG 101 28.626 21.246 6.377 94 1HB ARG 101 2HB ARG 101 26.067 22.236 7.415 95 2HB ARG 101 3HB ARG 101 27.471 22.891 8.247 96 1HG ARG 101 2HG ARG 101 28.285 23.229 5.728 97 2HG ARG 101 3HG ARG 101 26.540 23.306 5.476 98 1HD ARG 101 2HD ARG 101 26.609 24.943 7.507 99 2HD ARG 101 3HD ARG 101 28.311 25.103 7.078 100 HE ARG 101 HE ARG 101 26.686 25.448 4.791 101 1HH1 ARG 101 2HH1 ARG 101 27.654 27.052 7.725 102 2HH1 ARG 101 1HH1 ARG 101 27.432 28.646 7.081 103 1HH2 ARG 101 2HH2 ARG 101 26.389 27.540 3.932 104 2HH2 ARG 101 1HH2 ARG 101 26.711 28.922 4.924 105 H ARG 102 H ARG 102 30.335 21.110 7.687 106 HA ARG 102 HA ARG 102 29.921 20.338 10.490 107 1HB ARG 102 2HB ARG 102 30.517 18.325 9.159 108 2HB ARG 102 3HB ARG 102 32.009 19.120 8.675 109 1HG ARG 102 2HG ARG 102 32.788 17.876 10.406 110 2HG ARG 102 3HG ARG 102 32.327 19.333 11.287 111 1HD ARG 102 2HD ARG 102 30.693 18.279 12.401 112 2HD ARG 102 3HD ARG 102 30.144 17.420 10.963 113 HE ARG 102 HE ARG 102 31.887 16.426 12.997 114 1HH1 ARG 102 2HH1 ARG 102 31.097 16.215 9.613 115 2HH1 ARG 102 1HH1 ARG 102 31.705 14.601 9.438 116 1HH2 ARG 102 2HH2 ARG 102 32.689 14.302 12.780 117 2HH2 ARG 102 1HH2 ARG 102 32.609 13.515 11.241 118 H GLU 103 H GLU 103 30.415 22.387 11.224 119 HA GLU 103 HA GLU 103 32.889 23.659 10.397 120 1HB GLU 103 2HB GLU 103 30.570 24.463 12.116 121 2HB GLU 103 3HB GLU 103 32.084 25.349 12.224 122 1HG GLU 103 2HG GLU 103 31.367 25.022 9.477 123 2HG GLU 103 3HG GLU 103 30.002 25.688 10.372 124 H ARG 104 H ARG 104 34.723 23.819 11.582 125 HA ARG 104 HA ARG 104 34.744 22.467 14.201 126 1HB ARG 104 2HB ARG 104 36.771 22.443 11.975 127 2HB ARG 104 3HB ARG 104 37.203 22.016 13.625 128 1HG ARG 104 2HG ARG 104 36.498 19.951 13.277 129 2HG ARG 104 3HG ARG 104 34.876 20.557 12.937 130 1HD ARG 104 2HD ARG 104 35.389 20.807 10.610 131 2HD ARG 104 3HD ARG 104 37.089 20.439 10.897 132 HE ARG 104 HE ARG 104 35.654 18.251 11.788 133 1HH1 ARG 104 2HH1 ARG 104 36.146 19.943 8.786 134 2HH1 ARG 104 1HH1 ARG 104 35.916 18.535 7.804 135 1HH2 ARG 104 2HH2 ARG 104 35.348 16.390 10.506 136 2HH2 ARG 104 1HH2 ARG 104 35.462 16.515 8.782 137 H ALA 105 H ALA 105 34.913 23.957 15.740 138 HA ALA 105 HA ALA 105 36.659 26.281 15.270 139 1HB ALA 105 1HB ALA 105 34.357 25.981 17.195 140 2HB ALA 105 2HB ALA 105 35.367 27.417 17.022 141 3HB ALA 105 3HB ALA 105 34.346 26.891 15.684 142 H PHE 106 H PHE 106 38.320 26.717 16.631 143 HA PHE 106 HA PHE 106 39.963 26.325 18.156 144 1HB PHE 106 2HB PHE 106 37.524 25.513 19.734 145 2HB PHE 106 3HB PHE 106 39.137 25.531 20.438 146 HD1 PHE 106 HD1 PHE 106 40.157 27.548 21.117 147 HD2 PHE 106 HD2 PHE 106 36.518 27.632 18.911 148 HE1 PHE 106 HE1 PHE 106 39.916 29.946 21.613 149 HE2 PHE 106 HE2 PHE 106 36.272 30.029 19.402 150 HZ PHE 106 HZ PHE 106 37.973 31.190 20.754 151 H ASP 107 H ASP 107 39.306 24.227 16.241 152 HA ASP 107 HA ASP 107 40.774 22.078 17.513 153 1HB ASP 107 2HB ASP 107 37.938 21.931 17.253 154 2HB ASP 107 3HB ASP 107 38.648 20.786 16.120 155 H ALA 108 H ALA 108 42.278 21.422 16.136 156 HA ALA 108 HA ALA 108 43.455 21.080 14.217 157 1HB ALA 108 1HB ALA 108 42.135 20.236 12.262 158 2HB ALA 108 2HB ALA 108 41.869 19.362 13.770 159 3HB ALA 108 3HB ALA 108 40.674 20.528 13.204 160 H ASN 109 H ASN 109 44.291 23.136 13.926 161 HA ASN 109 HA ASN 109 43.407 24.513 11.573 162 1HB ASN 109 2HB ASN 109 42.408 25.396 14.106 163 2HB ASN 109 3HB ASN 109 43.514 26.616 13.480 164 1HD2 ASN 109 1HD2 ASN 109 42.342 28.162 12.609 165 2HD2 ASN 109 2HD2 ASN 109 41.021 27.943 11.517 166 H THR 110 H THR 110 44.822 26.417 11.097 167 HA THR 110 HA THR 110 47.553 25.703 11.573 168 HB THR 110 HB THR 110 47.970 27.917 10.304 169 HG1 THR 110 HG1 THR 110 45.873 28.251 8.996 170 1HG2 THR 110 1HG2 THR 110 46.526 25.556 9.112 171 2HG2 THR 110 2HG2 THR 110 48.263 25.850 9.170 172 3HG2 THR 110 3HG2 THR 110 47.235 26.841 8.137 173 H MET 111 H MET 111 47.517 25.927 13.926 174 HA MET 111 HA MET 111 48.364 28.598 14.702 175 1HB MET 111 2HB MET 111 45.810 27.453 15.475 176 2HB MET 111 3HB MET 111 46.805 27.815 16.879 177 1HG MET 111 2HG MET 111 46.771 30.065 16.502 178 2HG MET 111 3HG MET 111 46.545 29.883 14.764 179 1HE MET 111 1HE MET 111 43.906 29.433 13.655 180 2HE MET 111 2HE MET 111 43.088 30.845 14.326 181 3HE MET 111 3HE MET 111 44.794 30.940 13.885 182 H THR 112 H THR 112 48.923 28.440 17.228 183 HA THR 112 HA THR 112 50.840 26.258 17.400 184 HB THR 112 HB THR 112 51.683 28.471 17.906 185 HG1 THR 112 HG1 THR 112 52.582 27.980 19.941 186 1HG2 THR 112 1HG2 THR 112 50.317 29.961 18.854 187 2HG2 THR 112 2HG2 THR 112 50.576 29.126 20.386 188 3HG2 THR 112 3HG2 THR 112 49.202 28.695 19.367 189 H SER 113 H SER 113 51.086 24.988 19.338 190 HA SER 113 HA SER 113 48.543 24.610 20.783 191 1HB SER 113 2HB SER 113 49.359 22.197 21.038 192 2HB SER 113 3HB SER 113 48.821 22.684 19.431 193 HG SER 113 HG SER 113 50.858 22.665 18.720 194 H ALA 114 H ALA 114 50.431 26.419 21.708 195 HA ALA 114 HA ALA 114 51.611 27.007 23.565 196 1HB ALA 114 1HB ALA 114 49.595 25.161 24.404 197 2HB ALA 114 2HB ALA 114 51.038 24.948 25.395 198 3HB ALA 114 3HB ALA 114 50.279 26.534 25.273 199 H GLU 115 H GLU 115 53.086 25.908 25.415 200 HA GLU 115 HA GLU 115 54.775 23.888 24.100 201 1HB GLU 115 2HB GLU 115 55.955 26.110 25.743 202 2HB GLU 115 3HB GLU 115 56.753 25.053 24.585 203 1HG GLU 115 2HG GLU 115 54.884 26.337 23.043 204 2HG GLU 115 3HG GLU 115 55.388 27.590 24.175 205 H LYS 116 H LYS 116 54.747 25.648 27.201 206 HA LYS 116 HA LYS 116 54.786 24.933 29.360 207 1HB LYS 116 2HB LYS 116 52.987 23.173 27.985 208 2HB LYS 116 3HB LYS 116 53.873 22.255 29.196 209 1HG LYS 116 2HG LYS 116 53.206 23.939 30.888 210 2HG LYS 116 3HG LYS 116 52.218 24.727 29.656 211 1HD LYS 116 2HD LYS 116 50.564 23.270 29.972 212 2HD LYS 116 3HD LYS 116 51.659 21.906 29.738 213 1HE LYS 116 2HE LYS 116 52.339 22.052 32.082 214 2HE LYS 116 3HE LYS 116 51.259 23.426 32.314 215 1HZ LYS 116 1HZ LYS 116 49.382 22.012 31.821 216 2HZ LYS 116 2HZ LYS 116 50.281 21.346 33.090 217 3HZ LYS 116 3HZ LYS 116 50.401 20.692 31.535 218 H VAL 117 H VAL 117 55.638 23.094 30.815 219 HA VAL 117 HA VAL 117 58.299 22.486 29.928 220 HB VAL 117 HB VAL 117 56.877 21.683 32.470 221 1HG1 VAL 117 1HG1 VAL 117 59.525 21.063 31.390 222 2HG1 VAL 117 2HG1 VAL 117 59.549 21.722 33.028 223 3HG1 VAL 117 3HG1 VAL 117 58.607 20.272 32.672 224 1HG2 VAL 117 1HG2 VAL 117 56.988 23.981 32.614 225 2HG2 VAL 117 2HG2 VAL 117 58.523 23.511 33.344 226 3HG2 VAL 117 3HG2 VAL 117 58.477 24.076 31.675 227 H LEU 118 H LEU 118 58.266 20.986 28.300 228 HA LEU 118 HA LEU 118 56.669 18.634 28.349 229 1HB LEU 118 2HB LEU 118 58.699 19.825 26.618 230 2HB LEU 118 3HB LEU 118 58.738 18.064 26.644 231 HG LEU 118 HG LEU 118 56.106 19.367 26.208 232 1HD1 LEU 118 1HD1 LEU 118 56.501 19.761 23.887 233 2HD1 LEU 118 2HD1 LEU 118 58.145 19.133 24.003 234 3HD1 LEU 118 3HD1 LEU 118 57.720 20.647 24.802 235 1HD2 LEU 118 1HD2 LEU 118 56.462 16.899 26.350 236 2HD2 LEU 118 2HD2 LEU 118 57.431 17.007 24.880 237 3HD2 LEU 118 3HD2 LEU 118 55.721 17.443 24.844 238 H CYS 119 H CYS 119 57.304 16.395 28.684 239 HA CYS 119 HA CYS 119 59.275 16.191 30.749 240 1HB CYS 119 2HB CYS 119 57.135 14.951 30.862 241 2HB CYS 119 3HB CYS 119 57.584 14.036 29.437 242 H GLN 120 H GLN 120 61.350 15.944 30.274 243 HA GLN 120 HA GLN 120 62.356 15.457 27.677 244 1HB GLN 120 2HB GLN 120 63.476 15.888 30.368 245 2HB GLN 120 3HB GLN 120 64.487 14.935 29.292 246 1HG GLN 120 2HG GLN 120 65.143 16.747 28.212 247 2HG GLN 120 3HG GLN 120 63.474 17.225 27.902 248 1HE2 GLN 120 1HE2 GLN 120 62.978 19.148 28.643 249 2HE2 GLN 120 2HE2 GLN 120 63.657 19.919 30.031 250 H PHE 121 H PHE 121 62.055 13.407 30.550 251 HA PHE 121 HA PHE 121 63.369 11.150 29.515 252 1HB PHE 121 2HB PHE 121 62.205 11.821 31.923 253 2HB PHE 121 3HB PHE 121 61.153 10.541 31.328 254 HD1 PHE 121 HD1 PHE 121 63.198 8.921 29.850 255 HD2 PHE 121 HD2 PHE 121 63.282 10.741 33.698 256 HE1 PHE 121 HE1 PHE 121 64.821 7.235 30.609 257 HE2 PHE 121 HE2 PHE 121 64.905 9.058 34.462 258 HZ PHE 121 HZ PHE 121 65.677 7.302 32.917 259 H CYS 122 H CYS 122 60.087 12.412 29.016 260 HA CYS 122 HA CYS 122 58.905 10.039 28.182 261 1HB CYS 122 2HB CYS 122 58.309 12.935 27.961 262 2HB CYS 122 3HB CYS 122 57.583 11.930 26.721 263 H ASP 123 H ASP 123 58.402 9.453 25.956 264 HA ASP 123 HA ASP 123 60.208 10.452 23.889 265 1HB ASP 123 2HB ASP 123 60.644 8.008 25.265 266 2HB ASP 123 3HB ASP 123 60.097 7.603 23.640 267 H GLN 124 H GLN 124 57.297 10.535 24.468 268 HA GLN 124 HA GLN 124 55.961 8.793 22.663 269 1HB GLN 124 2HB GLN 124 55.239 11.157 24.300 270 2HB GLN 124 3HB GLN 124 54.213 10.826 22.909 271 1HG GLN 124 2HG GLN 124 53.861 8.538 23.747 272 2HG GLN 124 3HG GLN 124 54.824 8.936 25.169 273 1HE2 GLN 124 1HE2 GLN 124 51.897 9.751 23.401 274 2HE2 GLN 124 2HE2 GLN 124 51.024 10.362 24.760 275 H ASP 125 H ASP 125 56.994 12.183 22.448 276 HA ASP 125 HA ASP 125 57.362 13.556 20.671 277 1HB ASP 125 2HB ASP 125 58.780 11.582 19.974 278 2HB ASP 125 3HB ASP 125 57.423 11.051 18.982 279 HA PRO 126 HA PRO 126 56.350 15.158 21.008 280 1HB PRO 126 2HB PRO 126 54.174 16.272 22.187 281 2HB PRO 126 3HB PRO 126 54.740 16.740 20.580 282 1HG PRO 126 2HG PRO 126 52.522 14.878 21.337 283 2HG PRO 126 3HG PRO 126 52.556 16.124 20.076 284 1HD PRO 126 2HD PRO 126 52.906 13.494 19.537 285 2HD PRO 126 3HD PRO 126 53.701 14.774 18.599 286 H ALA 127 H ALA 127 56.778 15.275 23.235 287 HA ALA 127 HA ALA 127 56.190 12.869 24.694 288 1HB ALA 127 1HB ALA 127 58.254 13.410 25.365 289 2HB ALA 127 2HB ALA 127 58.050 15.108 24.932 290 3HB ALA 127 3HB ALA 127 57.450 14.514 26.481 291 H GLN 128 H GLN 128 55.343 12.866 26.898 292 HA GLN 128 HA GLN 128 52.892 14.324 27.062 293 1HB GLN 128 2HB GLN 128 53.551 11.934 27.965 294 2HB GLN 128 3HB GLN 128 54.009 12.839 29.402 295 1HG GLN 128 2HG GLN 128 51.622 13.871 29.149 296 2HG GLN 128 3HG GLN 128 51.316 12.413 28.207 297 1HE2 GLN 128 1HE2 GLN 128 52.534 13.535 31.325 298 2HE2 GLN 128 2HE2 GLN 128 52.000 12.163 32.228 299 H ASP 129 H ASP 129 52.438 16.153 28.120 300 HA ASP 129 HA ASP 129 54.426 17.886 29.017 301 1HB ASP 129 2HB ASP 129 51.492 17.888 29.761 302 2HB ASP 129 3HB ASP 129 52.598 19.248 29.931 303 H ALA 130 H ALA 130 55.508 18.095 30.868 304 HA ALA 130 HA ALA 130 54.920 16.255 33.043 305 1HB ALA 130 1HB ALA 130 57.163 16.165 32.812 306 2HB ALA 130 2HB ALA 130 57.271 17.800 32.158 307 3HB ALA 130 3HB ALA 130 57.108 17.556 33.896 308 H VAL 131 H VAL 131 54.947 17.008 35.286 309 HA VAL 131 HA VAL 131 54.154 19.803 35.659 310 HB VAL 131 HB VAL 131 52.255 19.182 37.065 311 1HG1 VAL 131 1HG1 VAL 131 52.088 17.899 34.339 312 2HG1 VAL 131 2HG1 VAL 131 50.732 18.474 35.313 313 3HG1 VAL 131 3HG1 VAL 131 51.907 19.621 34.668 314 1HG2 VAL 131 1HG2 VAL 131 53.417 16.555 36.821 315 2HG2 VAL 131 2HG2 VAL 131 52.194 17.141 37.949 316 3HG2 VAL 131 3HG2 VAL 131 51.714 16.535 36.364 317 H LYS 132 H LYS 132 56.452 17.932 36.351 318 HA LYS 132 HA LYS 132 56.651 18.769 39.145 319 1HB LYS 132 2HB LYS 132 56.665 15.967 38.155 320 2HB LYS 132 3HB LYS 132 57.842 16.382 39.393 321 1HG LYS 132 2HG LYS 132 56.257 16.014 40.894 322 2HG LYS 132 3HG LYS 132 55.453 17.470 40.306 323 1HD LYS 132 2HD LYS 132 54.303 16.053 38.599 324 2HD LYS 132 3HD LYS 132 54.999 14.634 39.386 325 1HE LYS 132 2HE LYS 132 53.785 16.249 41.383 326 2HE LYS 132 3HE LYS 132 52.636 16.064 40.060 327 1HZ LYS 132 1HZ LYS 132 52.849 13.688 40.209 328 2HZ LYS 132 2HZ LYS 132 52.453 14.301 41.736 329 3HZ LYS 132 3HZ LYS 132 54.040 13.819 41.404 330 H THR 133 H THR 133 58.870 18.712 39.960 331 HA THR 133 HA THR 133 60.989 18.460 37.987 332 HB THR 133 HB THR 133 60.965 21.044 39.482 333 HG1 THR 133 HG1 THR 133 59.679 22.000 37.937 334 1HG2 THR 133 1HG2 THR 133 61.792 21.309 36.803 335 2HG2 THR 133 2HG2 THR 133 62.481 19.796 37.391 336 3HG2 THR 133 3HG2 THR 133 62.801 21.304 38.248 337 H CYS 134 H CYS 134 62.387 17.091 39.059 338 HA CYS 134 HA CYS 134 62.618 17.405 41.923 339 1HB CYS 134 2HB CYS 134 62.383 15.144 41.021 340 2HB CYS 134 3HB CYS 134 63.812 15.353 40.031 341 H VAL 135 H VAL 135 64.044 18.834 42.645 342 HA VAL 135 HA VAL 135 65.991 20.144 41.102 343 HB VAL 135 HB VAL 135 66.882 20.972 43.277 344 1HG1 VAL 135 1HG1 VAL 135 63.927 21.103 42.740 345 2HG1 VAL 135 2HG1 VAL 135 64.712 22.076 43.986 346 3HG1 VAL 135 3HG1 VAL 135 65.173 22.268 42.294 347 1HG2 VAL 135 1HG2 VAL 135 65.493 20.385 45.307 348 2HG2 VAL 135 2HG2 VAL 135 64.857 19.033 44.370 349 3HG2 VAL 135 3HG2 VAL 135 66.582 19.125 44.725 350 H THR 136 H THR 136 66.239 17.443 43.378 351 HA THR 136 HA THR 136 69.034 17.215 43.393 352 HB THR 136 HB THR 136 66.898 15.128 43.837 353 HG1 THR 136 HG1 THR 136 67.513 15.492 46.035 354 1HG2 THR 136 1HG2 THR 136 68.629 13.703 43.421 355 2HG2 THR 136 2HG2 THR 136 69.008 14.089 45.099 356 3HG2 THR 136 3HG2 THR 136 69.857 14.912 43.791 357 H CYS 137 H CYS 137 66.572 16.038 41.078 358 HA CYS 137 HA CYS 137 68.542 14.423 39.737 359 1HB CYS 137 2HB CYS 137 65.604 14.962 39.292 360 2HB CYS 137 3HB CYS 137 66.569 14.155 38.073 361 H GLU 138 H GLU 138 67.275 17.606 39.750 362 HA GLU 138 HA GLU 138 67.721 19.488 38.552 363 1HB GLU 138 2HB GLU 138 69.903 17.921 37.179 364 2HB GLU 138 3HB GLU 138 69.801 19.664 37.388 365 1HG GLU 138 2HG GLU 138 69.980 19.289 39.855 366 2HG GLU 138 3HG GLU 138 70.309 17.593 39.507 367 H VAL 139 H VAL 139 65.861 17.467 37.563 368 HA VAL 139 HA VAL 139 65.607 18.480 34.853 369 HB VAL 139 HB VAL 139 65.728 15.513 35.406 370 1HG1 VAL 139 1HG1 VAL 139 65.379 15.294 32.958 371 2HG1 VAL 139 2HG1 VAL 139 63.986 15.964 33.809 372 3HG1 VAL 139 3HG1 VAL 139 65.051 17.026 32.887 373 1HG2 VAL 139 1HG2 VAL 139 67.554 17.410 33.959 374 2HG2 VAL 139 2HG2 VAL 139 67.943 16.286 35.261 375 3HG2 VAL 139 3HG2 VAL 139 67.570 15.673 33.651 376 H SER 140 H SER 140 63.504 18.464 34.082 377 HA SER 140 HA SER 140 61.467 17.996 36.120 378 1HB SER 140 2HB SER 140 60.028 19.392 34.807 379 2HB SER 140 3HB SER 140 61.608 20.174 34.846 380 HG SER 140 HG SER 140 60.326 18.846 32.732 381 H TYR 141 H TYR 141 60.063 16.361 36.055 382 HA TYR 141 HA TYR 141 59.800 14.840 33.548 383 1HB TYR 141 2HB TYR 141 59.880 13.664 36.333 384 2HB TYR 141 3HB TYR 141 59.715 12.768 34.827 385 HD1 TYR 141 HD1 TYR 141 61.964 13.626 37.305 386 HD2 TYR 141 HD2 TYR 141 61.685 13.398 33.066 387 HE1 TYR 141 HE1 TYR 141 64.411 13.431 37.160 388 HE2 TYR 141 HE2 TYR 141 64.132 13.201 32.910 389 HH TYR 141 HH TYR 141 66.017 12.477 34.348 390 H CYS 142 H CYS 142 57.775 13.209 33.772 391 HA CYS 142 HA CYS 142 55.615 14.919 34.746 392 1HB CYS 142 2HB CYS 142 54.178 13.878 33.135 393 2HB CYS 142 3HB CYS 142 55.642 14.374 32.307 394 H ASP 143 H ASP 143 53.648 13.420 35.320 395 HA ASP 143 HA ASP 143 54.226 12.039 37.665 396 1HB ASP 143 2HB ASP 143 51.873 12.559 36.034 397 2HB ASP 143 3HB ASP 143 51.808 10.970 36.793 398 H GLU 144 H GLU 144 53.382 10.711 34.468 399 HA GLU 144 HA GLU 144 53.460 8.027 35.018 400 1HB GLU 144 2HB GLU 144 53.920 9.683 32.629 401 2HB GLU 144 3HB GLU 144 54.654 8.087 32.563 402 1HG GLU 144 2HG GLU 144 52.056 7.701 33.537 403 2HG GLU 144 3HG GLU 144 51.917 8.848 32.206 404 H CYS 145 H CYS 145 56.315 9.797 33.598 405 HA CYS 145 HA CYS 145 58.099 7.770 34.020 406 1HB CYS 145 2HB CYS 145 58.605 10.764 34.032 407 2HB CYS 145 3HB CYS 145 59.856 9.542 33.914 408 H LEU 146 H LEU 146 57.277 10.546 36.084 409 HA LEU 146 HA LEU 146 58.967 10.167 38.214 410 1HB LEU 146 2HB LEU 146 57.426 12.069 37.944 411 2HB LEU 146 3HB LEU 146 56.077 11.013 38.359 412 HG LEU 146 HG LEU 146 57.451 10.656 40.571 413 1HD1 LEU 146 1HD1 LEU 146 59.369 12.011 39.674 414 2HD1 LEU 146 2HD1 LEU 146 58.762 12.510 41.252 415 3HD1 LEU 146 3HD1 LEU 146 58.332 13.431 39.811 416 1HD2 LEU 146 1HD2 LEU 146 55.365 12.428 39.732 417 2HD2 LEU 146 2HD2 LEU 146 56.337 13.206 40.982 418 3HD2 LEU 146 3HD2 LEU 146 55.595 11.636 41.291 419 H LYS 147 H LYS 147 56.177 8.304 37.318 420 HA LYS 147 HA LYS 147 55.796 7.001 39.821 421 1HB LYS 147 2HB LYS 147 54.173 7.197 37.812 422 2HB LYS 147 3HB LYS 147 55.039 5.809 37.167 423 1HG LYS 147 2HG LYS 147 54.500 4.584 39.267 424 2HG LYS 147 3HG LYS 147 53.492 5.953 39.744 425 1HD LYS 147 2HD LYS 147 52.730 5.306 37.122 426 2HD LYS 147 3HD LYS 147 52.884 3.768 37.977 427 1HE LYS 147 2HE LYS 147 51.560 5.125 39.841 428 2HE LYS 147 3HE LYS 147 51.007 6.024 38.429 429 1HZ LYS 147 1HZ LYS 147 50.400 3.311 39.251 430 2HZ LYS 147 2HZ LYS 147 50.685 3.513 37.597 431 3HZ LYS 147 3HZ LYS 147 49.470 4.409 38.360 432 H ALA 148 H ALA 148 57.565 6.181 36.867 433 HA ALA 148 HA ALA 148 58.454 3.646 37.909 434 1HB ALA 148 1HB ALA 148 59.423 3.273 35.840 435 2HB ALA 148 2HB ALA 148 58.065 4.324 35.438 436 3HB ALA 148 3HB ALA 148 59.694 4.991 35.542 437 H THR 149 H THR 149 60.041 6.737 37.114 438 HA THR 149 HA THR 149 62.572 5.992 38.142 439 HB THR 149 HB THR 149 61.506 8.804 37.849 440 HG1 THR 149 HG1 THR 149 61.787 8.601 35.749 441 1HG2 THR 149 1HG2 THR 149 64.345 7.937 37.453 442 2HG2 THR 149 2HG2 THR 149 63.731 8.244 39.078 443 3HG2 THR 149 3HG2 THR 149 63.711 9.528 37.869 444 H HIS 150 H HIS 150 59.915 7.921 39.502 445 HA HIS 150 HA HIS 150 61.197 7.678 42.144 446 1HB HIS 150 2HB HIS 150 59.302 9.785 41.090 447 2HB HIS 150 3HB HIS 150 59.812 9.670 42.772 448 HD2 HIS 150 HD2 HIS 150 60.918 12.311 42.167 449 HE1 HIS 150 HE1 HIS 150 64.289 10.647 40.201 450 HA PRO 151 HA PRO 151 57.356 5.073 42.236 451 1HB PRO 151 2HB PRO 151 58.516 2.998 43.547 452 2HB PRO 151 3HB PRO 151 58.555 3.166 41.787 453 1HG PRO 151 2HG PRO 151 60.658 3.856 43.802 454 2HG PRO 151 3HG PRO 151 60.834 3.048 42.233 455 1HD PRO 151 2HD PRO 151 61.395 5.672 42.592 456 2HD PRO 151 3HD PRO 151 60.761 5.031 41.062 457 H ASN 152 H ASN 152 56.772 3.661 44.399 458 HA ASN 152 HA ASN 152 56.090 3.753 46.568 459 1HB ASN 152 2HB ASN 152 58.795 4.655 46.597 460 2HB ASN 152 3HB ASN 152 57.879 5.647 47.727 461 1HD2 ASN 152 1HD2 ASN 152 57.880 2.228 46.763 462 2HD2 ASN 152 2HD2 ASN 152 57.951 1.601 48.372 463 H LYS 153 H LYS 153 54.960 5.107 48.082 464 HA LYS 153 HA LYS 153 54.617 7.910 47.409 465 1HB LYS 153 2HB LYS 153 52.180 7.731 47.169 466 2HB LYS 153 3HB LYS 153 53.019 6.826 45.916 467 1HG LYS 153 2HG LYS 153 52.689 4.893 47.765 468 2HG LYS 153 3HG LYS 153 51.264 5.887 48.079 469 1HD LYS 153 2HD LYS 153 50.787 5.792 45.609 470 2HD LYS 153 3HD LYS 153 52.072 4.589 45.482 471 1HE LYS 153 2HE LYS 153 50.518 3.056 45.931 472 2HE LYS 153 3HE LYS 153 50.504 3.682 47.578 473 1HZ LYS 153 1HZ LYS 153 48.589 4.839 47.222 474 2HZ LYS 153 2HZ LYS 153 48.320 3.539 46.174 475 3HZ LYS 153 3HZ LYS 153 48.854 5.024 45.561 476 H LYS 154 H LYS 154 53.602 9.125 49.054 477 HA LYS 154 HA LYS 154 53.040 9.677 51.190 478 1HB LYS 154 2HB LYS 154 51.854 7.083 50.769 479 2HB LYS 154 3HB LYS 154 52.390 7.239 52.437 480 1HG LYS 154 2HG LYS 154 50.208 8.013 52.496 481 2HG LYS 154 3HG LYS 154 51.160 9.496 52.402 482 1HD LYS 154 2HD LYS 154 50.690 9.749 50.083 483 2HD LYS 154 3HD LYS 154 49.996 8.129 49.984 484 1HE LYS 154 2HE LYS 154 48.079 9.367 50.108 485 2HE LYS 154 3HE LYS 154 48.369 9.091 51.825 486 1HZ LYS 154 1HZ LYS 154 47.896 11.480 50.874 487 2HZ LYS 154 2HZ LYS 154 49.565 11.464 50.604 488 3HZ LYS 154 3HZ LYS 154 48.959 11.244 52.168 489 HA PRO 155 HA PRO 155 52.906 10.161 53.276 490 1HB PRO 155 2HB PRO 155 54.452 12.050 54.462 491 2HB PRO 155 3HB PRO 155 53.895 10.599 55.303 492 1HG PRO 155 2HG PRO 155 56.550 11.152 54.036 493 2HG PRO 155 3HG PRO 155 56.192 10.377 55.590 494 1HD PRO 155 2HD PRO 155 56.825 8.964 53.368 495 2HD PRO 155 3HD PRO 155 55.716 8.346 54.610 496 H PHE 156 H PHE 156 55.590 10.388 51.232 497 HA PHE 156 HA PHE 156 54.434 12.751 49.932 498 1HB PHE 156 2HB PHE 156 56.384 13.507 51.228 499 2HB PHE 156 3HB PHE 156 57.391 12.318 50.407 500 HD1 PHE 156 HD1 PHE 156 58.916 13.543 49.174 501 HD2 PHE 156 HD2 PHE 156 54.795 14.599 49.034 502 HE1 PHE 156 HE1 PHE 156 59.399 15.177 47.399 503 HE2 PHE 156 HE2 PHE 156 55.270 16.236 47.260 504 HZ PHE 156 HZ PHE 156 57.574 16.526 46.439 505 H THR 157 H THR 157 57.298 10.740 49.308 506 HA THR 157 HA THR 157 56.219 9.109 47.326 507 HB THR 157 HB THR 157 57.650 10.544 45.470 508 HG1 THR 157 HG1 THR 157 57.721 12.523 46.230 509 1HG2 THR 157 1HG2 THR 157 55.753 10.002 44.433 510 2HG2 THR 157 2HG2 THR 157 54.985 11.387 45.206 511 3HG2 THR 157 3HG2 THR 157 54.919 9.802 45.973 512 H GLY 158 H GLY 158 58.987 10.888 48.525 513 1HA GLY 158 2HA GLY 158 60.762 9.193 49.254 514 2HA GLY 158 3HA GLY 158 60.767 8.750 47.553 515 H HIS 159 H HIS 159 61.091 10.704 46.044 516 HA HIS 159 HA HIS 159 63.563 11.953 46.832 517 1HB HIS 159 2HB HIS 159 62.403 11.194 44.406 518 2HB HIS 159 3HB HIS 159 62.447 12.953 44.349 519 HD2 HIS 159 HD2 HIS 159 65.437 12.998 46.043 520 HE1 HIS 159 HE1 HIS 159 66.740 11.194 42.431 521 H ARG 160 H ARG 160 63.615 14.391 45.731 522 HA ARG 160 HA ARG 160 61.790 15.897 47.454 523 1HB ARG 160 2HB ARG 160 64.522 16.122 46.935 524 2HB ARG 160 3HB ARG 160 63.799 17.478 46.078 525 1HG ARG 160 2HG ARG 160 62.836 18.335 48.073 526 2HG ARG 160 3HG ARG 160 63.244 16.870 48.970 527 1HD ARG 160 2HD ARG 160 65.405 17.484 49.251 528 2HD ARG 160 3HD ARG 160 65.493 18.279 47.679 529 HE ARG 160 HE ARG 160 63.828 19.758 49.409 530 1HH1 ARG 160 2HH1 ARG 160 67.178 18.967 48.883 531 2HH1 ARG 160 1HH1 ARG 160 67.770 20.435 49.586 532 1HH2 ARG 160 2HH2 ARG 160 64.596 21.695 50.337 533 2HH2 ARG 160 1HH2 ARG 160 66.302 21.986 50.413 534 H LEU 161 H LEU 161 61.759 18.344 46.262 535 HA LEU 161 HA LEU 161 61.071 18.231 43.495 536 1HB LEU 161 2HB LEU 161 59.066 17.470 45.303 537 2HB LEU 161 3HB LEU 161 58.663 19.110 44.798 538 HG LEU 161 HG LEU 161 59.113 18.039 42.393 539 1HD1 LEU 161 1HD1 LEU 161 59.477 15.839 42.590 540 2HD1 LEU 161 2HD1 LEU 161 57.732 15.735 42.829 541 3HD1 LEU 161 3HD1 LEU 161 58.812 15.771 44.222 542 1HD2 LEU 161 1HD2 LEU 161 56.740 17.844 42.150 543 2HD2 LEU 161 2HD2 LEU 161 57.070 19.187 43.245 544 3HD2 LEU 161 3HD2 LEU 161 56.527 17.637 43.888 545 H ILE 162 H ILE 162 59.444 20.388 43.226 546 HA ILE 162 HA ILE 162 61.134 22.560 43.439 547 HB ILE 162 HB ILE 162 58.128 22.462 43.265 548 1HG1 ILE 162 2HG1 ILE 162 58.882 23.472 40.937 549 2HG1 ILE 162 3HG1 ILE 162 60.403 22.681 41.338 550 1HG2 ILE 162 1HG2 ILE 162 59.938 24.772 43.615 551 2HG2 ILE 162 2HG2 ILE 162 58.674 24.932 42.397 552 3HG2 ILE 162 3HG2 ILE 162 58.245 24.576 44.070 553 1HD1 ILE 162 1HD1 ILE 162 58.694 21.405 39.925 554 2HD1 ILE 162 2HD1 ILE 162 59.453 20.564 41.278 555 3HD1 ILE 162 3HD1 ILE 162 57.812 21.191 41.436 556 H GLU 163 H GLU 163 61.752 23.863 45.037 557 HA GLU 163 HA GLU 163 61.217 23.401 47.709 558 1HB GLU 163 2HB GLU 163 62.353 25.689 46.179 559 2HB GLU 163 3HB GLU 163 61.911 25.969 47.857 560 1HG GLU 163 2HG GLU 163 63.304 23.870 48.358 561 2HG GLU 163 3HG GLU 163 63.969 24.106 46.742 562 HA PRO 164 HA PRO 164 57.352 25.222 48.699 563 1HB PRO 164 2HB PRO 164 57.845 26.378 51.106 564 2HB PRO 164 3HB PRO 164 57.737 24.627 50.885 565 1HG PRO 164 2HG PRO 164 60.166 26.367 51.067 566 2HG PRO 164 3HG PRO 164 59.862 24.788 51.815 567 1HD PRO 164 2HD PRO 164 61.354 25.075 49.572 568 2HD PRO 164 3HD PRO 164 60.362 23.636 49.882 Start of MODEL 12 1 1H GLN 87 H GLN 87 -14.840 36.055 7.946 2 HA GLN 87 HA GLN 87 -16.005 37.848 8.914 3 1HB GLN 87 2HB GLN 87 -17.210 35.347 10.110 4 2HB GLN 87 3HB GLN 87 -18.016 36.907 10.001 5 1HG GLN 87 2HG GLN 87 -17.024 36.083 7.427 6 2HG GLN 87 3HG GLN 87 -18.060 34.845 8.134 7 1HE2 GLN 87 1HE2 GLN 87 -18.064 38.396 8.111 8 2HE2 GLN 87 2HE2 GLN 87 -19.695 38.561 7.566 9 H LYS 88 H LYS 88 -15.939 39.273 10.540 10 HA LYS 88 HA LYS 88 -15.347 40.237 12.515 11 1HB LYS 88 2HB LYS 88 -16.366 37.568 13.481 12 2HB LYS 88 3HB LYS 88 -15.878 38.849 14.581 13 1HG LYS 88 2HG LYS 88 -17.567 40.327 13.582 14 2HG LYS 88 3HG LYS 88 -18.077 39.006 12.529 15 1HD LYS 88 2HD LYS 88 -18.004 38.586 15.486 16 2HD LYS 88 3HD LYS 88 -19.347 39.479 14.769 17 1HE LYS 88 2HE LYS 88 -19.525 37.486 13.150 18 2HE LYS 88 3HE LYS 88 -18.522 36.630 14.318 19 1HZ LYS 88 1HZ LYS 88 -20.209 36.456 15.759 20 2HZ LYS 88 2HZ LYS 88 -21.196 36.745 14.416 21 3HZ LYS 88 3HZ LYS 88 -20.788 38.016 15.456 22 H ALA 89 H ALA 89 -13.162 39.488 11.206 23 HA ALA 89 HA ALA 89 -11.341 38.780 13.357 24 1HB ALA 89 1HB ALA 89 -10.146 37.144 11.835 25 2HB ALA 89 2HB ALA 89 -11.680 36.603 12.519 26 3HB ALA 89 3HB ALA 89 -11.606 37.151 10.844 27 H SER 90 H SER 90 -9.499 39.920 13.249 28 HA SER 90 HA SER 90 -8.156 40.693 10.918 29 1HB SER 90 2HB SER 90 -10.314 42.504 11.800 30 2HB SER 90 3HB SER 90 -8.763 43.285 11.492 31 HG SER 90 HG SER 90 -10.235 41.647 9.701 32 H VAL 91 H VAL 91 -6.522 39.905 12.338 33 HA VAL 91 HA VAL 91 -5.495 41.993 14.123 34 HB VAL 91 HB VAL 91 -4.748 40.171 15.716 35 1HG1 VAL 91 1HG1 VAL 91 -6.829 40.168 16.934 36 2HG1 VAL 91 2HG1 VAL 91 -6.611 41.740 16.163 37 3HG1 VAL 91 3HG1 VAL 91 -7.728 40.564 15.469 38 1HG2 VAL 91 1HG2 VAL 91 -5.598 38.033 15.619 39 2HG2 VAL 91 2HG2 VAL 91 -6.985 38.512 14.641 40 3HG2 VAL 91 3HG2 VAL 91 -5.387 38.393 13.906 41 H SER 92 H SER 92 -3.221 41.932 14.449 42 HA SER 92 HA SER 92 -1.778 41.005 12.155 43 1HB SER 92 2HB SER 92 -0.090 41.870 14.355 44 2HB SER 92 3HB SER 92 -0.301 42.587 12.757 45 HG SER 92 HG SER 92 -2.005 43.768 13.513 46 H GLY 93 H GLY 93 0.652 40.199 13.039 47 1HA GLY 93 2HA GLY 93 0.016 37.574 14.204 48 2HA GLY 93 3HA GLY 93 1.410 37.932 13.196 49 HA PRO 94 HA PRO 94 2.694 37.868 17.681 50 1HB PRO 94 2HB PRO 94 4.727 36.100 17.343 51 2HB PRO 94 3HB PRO 94 3.064 35.600 17.673 52 1HG PRO 94 2HG PRO 94 4.524 35.715 15.063 53 2HG PRO 94 3HG PRO 94 3.445 34.454 15.687 54 1HD PRO 94 2HD PRO 94 2.632 36.311 13.891 55 2HD PRO 94 3HD PRO 94 1.542 35.623 15.112 56 H ASN 95 H ASN 95 4.332 39.091 18.501 57 HA ASN 95 HA ASN 95 5.984 40.523 16.595 58 1HB ASN 95 2HB ASN 95 4.745 41.235 18.964 59 2HB ASN 95 3HB ASN 95 6.443 41.117 19.419 60 1HD2 ASN 95 1HD2 ASN 95 4.252 43.267 18.615 61 2HD2 ASN 95 2HD2 ASN 95 5.202 44.410 17.733 62 H SER 96 H SER 96 7.762 39.484 15.940 63 HA SER 96 HA SER 96 9.714 38.692 17.945 64 1HB SER 96 2HB SER 96 8.514 36.783 15.942 65 2HB SER 96 3HB SER 96 10.104 36.511 16.652 66 HG SER 96 HG SER 96 8.431 35.469 17.827 67 HA PRO 97 HA PRO 97 11.399 40.835 14.160 68 1HB PRO 97 2HB PRO 97 12.730 42.758 15.538 69 2HB PRO 97 3HB PRO 97 11.039 42.922 15.051 70 1HG PRO 97 2HG PRO 97 12.179 42.130 17.703 71 2HG PRO 97 3HG PRO 97 10.831 43.227 17.347 72 1HD PRO 97 2HD PRO 97 10.454 40.667 18.145 73 2HD PRO 97 3HD PRO 97 9.339 41.497 17.040 74 H SER 98 H SER 98 12.740 39.030 13.799 75 HA SER 98 HA SER 98 15.008 38.515 15.495 76 1HB SER 98 2HB SER 98 13.739 37.248 13.165 77 2HB SER 98 3HB SER 98 15.497 37.112 13.189 78 HG SER 98 HG SER 98 15.020 35.478 14.456 79 H GLU 99 H GLU 99 17.234 38.463 14.633 80 HA GLU 99 HA GLU 99 17.830 40.217 12.410 81 1HB GLU 99 2HB GLU 99 19.288 41.698 13.773 82 2HB GLU 99 3HB GLU 99 17.580 41.861 14.155 83 1HG GLU 99 2HG GLU 99 17.844 40.557 16.151 84 2HG GLU 99 3HG GLU 99 19.519 40.195 15.740 85 H THR 100 H THR 100 19.849 39.877 11.547 86 HA THR 100 HA THR 100 21.252 37.526 12.550 87 HB THR 100 HB THR 100 20.734 37.537 10.177 88 HG1 THR 100 HG1 THR 100 23.052 37.457 9.427 89 1HG2 THR 100 1HG2 THR 100 22.592 39.530 9.265 90 2HG2 THR 100 2HG2 THR 100 21.396 40.265 10.333 91 3HG2 THR 100 3HG2 THR 100 20.873 39.364 8.909 92 H ARG 101 H ARG 101 23.369 37.500 13.205 93 HA ARG 101 HA ARG 101 24.688 40.122 13.469 94 1HB ARG 101 2HB ARG 101 25.737 39.179 15.554 95 2HB ARG 101 3HB ARG 101 24.005 39.464 15.655 96 1HG ARG 101 2HG ARG 101 24.726 36.770 14.774 97 2HG ARG 101 3HG ARG 101 25.262 37.175 16.405 98 1HD ARG 101 2HD ARG 101 22.888 37.999 16.807 99 2HD ARG 101 3HD ARG 101 22.467 37.185 15.300 100 HE ARG 101 HE ARG 101 22.536 35.197 16.417 101 1HH1 ARG 101 2HH1 ARG 101 24.313 37.568 18.248 102 2HH1 ARG 101 1HH1 ARG 101 24.577 36.516 19.599 103 1HH2 ARG 101 2HH2 ARG 101 22.878 33.804 18.191 104 2HH2 ARG 101 1HH2 ARG 101 23.761 34.376 19.565 105 H ARG 102 H ARG 102 27.106 39.883 13.836 106 HA ARG 102 HA ARG 102 28.201 37.615 12.322 107 1HB ARG 102 2HB ARG 102 28.115 40.351 11.480 108 2HB ARG 102 3HB ARG 102 29.790 39.895 11.759 109 1HG ARG 102 2HG ARG 102 29.268 37.836 10.327 110 2HG ARG 102 3HG ARG 102 27.824 38.720 9.831 111 1HD ARG 102 2HD ARG 102 30.466 40.092 9.707 112 2HD ARG 102 3HD ARG 102 30.070 38.899 8.470 113 HE ARG 102 HE ARG 102 28.000 40.842 8.871 114 1HH1 ARG 102 2HH1 ARG 102 31.000 40.176 7.236 115 2HH1 ARG 102 1HH1 ARG 102 30.696 41.292 5.947 116 1HH2 ARG 102 2HH2 ARG 102 27.588 42.315 7.179 117 2HH2 ARG 102 1HH2 ARG 102 28.755 42.509 5.915 118 H GLU 103 H GLU 103 30.204 36.893 12.966 119 HA GLU 103 HA GLU 103 31.508 38.321 15.177 120 1HB GLU 103 2HB GLU 103 30.548 35.485 15.130 121 2HB GLU 103 3HB GLU 103 31.980 35.898 16.063 122 1HG GLU 103 2HG GLU 103 30.493 37.736 17.097 123 2HG GLU 103 3HG GLU 103 29.154 36.786 16.456 124 H ARG 104 H ARG 104 33.739 38.064 15.323 125 HA ARG 104 HA ARG 104 34.989 37.046 12.877 126 1HB ARG 104 2HB ARG 104 35.703 39.115 14.896 127 2HB ARG 104 3HB ARG 104 37.020 38.282 14.081 128 1HG ARG 104 2HG ARG 104 36.708 40.116 12.734 129 2HG ARG 104 3HG ARG 104 35.726 38.899 11.917 130 1HD ARG 104 2HD ARG 104 33.732 39.766 13.065 131 2HD ARG 104 3HD ARG 104 34.727 41.003 13.833 132 HE ARG 104 HE ARG 104 33.697 41.038 11.173 133 1HH1 ARG 104 2HH1 ARG 104 36.357 42.073 13.165 134 2HH1 ARG 104 1HH1 ARG 104 36.757 43.424 12.156 135 1HH2 ARG 104 2HH2 ARG 104 34.214 42.813 9.836 136 2HH2 ARG 104 1HH2 ARG 104 35.537 43.844 10.264 137 H ALA 105 H ALA 105 36.733 35.620 12.916 138 HA ALA 105 HA ALA 105 37.278 34.308 15.494 139 1HB ALA 105 1HB ALA 105 37.076 32.157 14.584 140 2HB ALA 105 2HB ALA 105 35.674 33.036 13.975 141 3HB ALA 105 3HB ALA 105 37.066 32.763 12.928 142 H PHE 106 H PHE 106 39.357 33.520 15.790 143 HA PHE 106 HA PHE 106 41.327 34.510 13.847 144 1HB PHE 106 2HB PHE 106 42.938 34.324 15.769 145 2HB PHE 106 3HB PHE 106 41.647 35.495 16.008 146 HD1 PHE 106 HD1 PHE 106 40.123 35.289 17.792 147 HD2 PHE 106 HD2 PHE 106 42.814 32.112 16.909 148 HE1 PHE 106 HE1 PHE 106 39.518 34.193 19.910 149 HE2 PHE 106 HE2 PHE 106 42.214 31.011 19.026 150 HZ PHE 106 HZ PHE 106 40.563 32.050 20.529 151 H ASP 107 H ASP 107 43.512 33.154 14.211 152 HA ASP 107 HA ASP 107 42.937 30.294 14.298 153 1HB ASP 107 2HB ASP 107 43.246 31.732 11.856 154 2HB ASP 107 3HB ASP 107 44.665 30.710 12.069 155 H ALA 108 H ALA 108 45.237 29.186 13.618 156 HA ALA 108 HA ALA 108 47.563 30.549 14.526 157 1HB ALA 108 1HB ALA 108 47.676 28.678 16.486 158 2HB ALA 108 2HB ALA 108 47.163 30.349 16.727 159 3HB ALA 108 3HB ALA 108 45.959 29.082 16.497 160 H ASN 109 H ASN 109 49.423 29.430 14.051 161 HA ASN 109 HA ASN 109 49.299 26.607 13.398 162 1HB ASN 109 2HB ASN 109 50.118 28.634 11.304 163 2HB ASN 109 3HB ASN 109 50.148 26.882 11.125 164 1HD2 ASN 109 1HD2 ASN 109 48.281 25.791 10.701 165 2HD2 ASN 109 2HD2 ASN 109 46.782 26.573 10.348 166 H THR 110 H THR 110 50.644 27.956 15.441 167 HA THR 110 HA THR 110 53.443 27.532 14.630 168 HB THR 110 HB THR 110 54.060 29.273 16.366 169 HG1 THR 110 HG1 THR 110 51.984 29.370 17.380 170 1HG2 THR 110 1HG2 THR 110 54.396 30.549 14.573 171 2HG2 THR 110 2HG2 THR 110 52.686 30.983 14.541 172 3HG2 THR 110 3HG2 THR 110 53.252 29.560 13.667 173 H MET 111 H MET 111 54.480 26.059 15.806 174 HA MET 111 HA MET 111 53.222 25.119 18.282 175 1HB MET 111 2HB MET 111 54.411 23.069 17.982 176 2HB MET 111 3HB MET 111 53.711 23.497 16.427 177 1HG MET 111 2HG MET 111 55.885 24.396 15.718 178 2HG MET 111 3HG MET 111 56.574 23.896 17.260 179 1HE MET 111 1HE MET 111 58.087 22.540 17.131 180 2HE MET 111 2HE MET 111 57.723 20.815 17.144 181 3HE MET 111 3HE MET 111 58.481 21.546 15.728 182 H THR 112 H THR 112 56.037 26.705 17.058 183 HA THR 112 HA THR 112 57.941 27.497 18.031 184 HB THR 112 HB THR 112 57.691 28.650 20.067 185 HG1 THR 112 HG1 THR 112 55.794 28.041 21.450 186 1HG2 THR 112 1HG2 THR 112 55.666 29.855 19.821 187 2HG2 THR 112 2HG2 THR 112 54.845 28.471 19.098 188 3HG2 THR 112 3HG2 THR 112 56.106 29.315 18.201 189 H SER 113 H SER 113 59.151 27.266 20.432 190 HA SER 113 HA SER 113 60.392 24.786 20.338 191 1HB SER 113 2HB SER 113 60.189 26.807 22.575 192 2HB SER 113 3HB SER 113 61.202 25.367 22.678 193 HG SER 113 HG SER 113 62.297 26.114 20.804 194 H ALA 114 H ALA 114 58.164 25.894 22.899 195 HA ALA 114 HA ALA 114 56.563 23.601 22.915 196 1HB ALA 114 1HB ALA 114 59.092 23.289 24.276 197 2HB ALA 114 2HB ALA 114 57.732 23.061 25.375 198 3HB ALA 114 3HB ALA 114 57.854 22.088 23.909 199 H GLU 115 H GLU 115 57.984 26.241 24.735 200 HA GLU 115 HA GLU 115 57.024 27.844 26.044 201 1HB GLU 115 2HB GLU 115 54.328 26.581 25.630 202 2HB GLU 115 3HB GLU 115 54.717 28.271 25.924 203 1HG GLU 115 2HG GLU 115 56.034 27.731 23.573 204 2HG GLU 115 3HG GLU 115 54.543 26.802 23.425 205 H LYS 116 H LYS 116 54.901 25.038 26.610 206 HA LYS 116 HA LYS 116 55.097 25.347 29.453 207 1HB LYS 116 2HB LYS 116 53.393 23.989 27.631 208 2HB LYS 116 3HB LYS 116 54.045 22.785 28.734 209 1HG LYS 116 2HG LYS 116 53.284 24.150 30.636 210 2HG LYS 116 3HG LYS 116 52.571 25.297 29.499 211 1HD LYS 116 2HD LYS 116 51.331 23.217 28.568 212 2HD LYS 116 3HD LYS 116 51.749 22.483 30.117 213 1HE LYS 116 2HE LYS 116 50.750 24.659 31.122 214 2HE LYS 116 3HE LYS 116 49.979 24.829 29.544 215 1HZ LYS 116 1HZ LYS 116 49.692 22.195 30.623 216 2HZ LYS 116 2HZ LYS 116 48.509 23.254 30.038 217 3HZ LYS 116 3HZ LYS 116 49.032 23.372 31.643 218 H VAL 117 H VAL 117 55.736 23.545 30.892 219 HA VAL 117 HA VAL 117 58.378 22.661 30.249 220 HB VAL 117 HB VAL 117 56.684 21.825 32.604 221 1HG1 VAL 117 1HG1 VAL 117 59.495 22.080 33.111 222 2HG1 VAL 117 2HG1 VAL 117 58.451 20.668 33.288 223 3HG1 VAL 117 3HG1 VAL 117 59.225 21.005 31.740 224 1HG2 VAL 117 1HG2 VAL 117 57.771 23.656 33.824 225 2HG2 VAL 117 2HG2 VAL 117 58.547 24.185 32.330 226 3HG2 VAL 117 3HG2 VAL 117 56.791 24.254 32.485 227 H LEU 118 H LEU 118 58.659 21.058 28.830 228 HA LEU 118 HA LEU 118 56.770 18.849 28.704 229 1HB LEU 118 2HB LEU 118 58.590 20.119 26.895 230 2HB LEU 118 3HB LEU 118 58.949 18.395 26.974 231 HG LEU 118 HG LEU 118 56.234 19.546 26.339 232 1HD1 LEU 118 1HD1 LEU 118 57.023 18.392 24.055 233 2HD1 LEU 118 2HD1 LEU 118 58.584 18.952 24.652 234 3HD1 LEU 118 3HD1 LEU 118 57.270 20.103 24.410 235 1HD2 LEU 118 1HD2 LEU 118 57.286 16.844 26.801 236 2HD2 LEU 118 2HD2 LEU 118 56.306 17.023 25.345 237 3HD2 LEU 118 3HD2 LEU 118 55.637 17.459 26.918 238 H CYS 119 H CYS 119 57.392 16.570 28.899 239 HA CYS 119 HA CYS 119 59.350 16.250 30.957 240 1HB CYS 119 2HB CYS 119 57.193 15.010 30.958 241 2HB CYS 119 3HB CYS 119 57.693 14.153 29.515 242 H GLN 120 H GLN 120 61.429 16.045 30.479 243 HA GLN 120 HA GLN 120 62.415 15.606 27.844 244 1HB GLN 120 2HB GLN 120 63.718 15.824 30.546 245 2HB GLN 120 3HB GLN 120 64.652 15.425 29.110 246 1HG GLN 120 2HG GLN 120 62.982 17.718 28.632 247 2HG GLN 120 3HG GLN 120 63.993 17.960 30.055 248 1HE2 GLN 120 1HE2 GLN 120 66.325 17.329 29.735 249 2HE2 GLN 120 2HE2 GLN 120 67.055 17.786 28.238 250 H PHE 121 H PHE 121 61.791 13.564 30.590 251 HA PHE 121 HA PHE 121 63.351 11.348 29.647 252 1HB PHE 121 2HB PHE 121 62.374 11.997 32.078 253 2HB PHE 121 3HB PHE 121 61.139 10.857 31.555 254 HD1 PHE 121 HD1 PHE 121 64.754 11.263 32.185 255 HD2 PHE 121 HD2 PHE 121 61.549 8.539 31.531 256 HE1 PHE 121 HE1 PHE 121 66.216 9.394 32.835 257 HE2 PHE 121 HE2 PHE 121 63.006 6.665 32.181 258 HZ PHE 121 HZ PHE 121 65.342 7.090 32.834 259 H CYS 122 H CYS 122 60.097 12.571 29.069 260 HA CYS 122 HA CYS 122 58.872 10.175 28.391 261 1HB CYS 122 2HB CYS 122 58.349 13.055 27.959 262 2HB CYS 122 3HB CYS 122 57.635 11.995 26.760 263 H ASP 123 H ASP 123 58.381 9.440 26.202 264 HA ASP 123 HA ASP 123 60.175 10.260 24.064 265 1HB ASP 123 2HB ASP 123 60.738 7.995 25.678 266 2HB ASP 123 3HB ASP 123 60.209 7.399 24.107 267 H GLN 124 H GLN 124 57.264 10.253 24.652 268 HA GLN 124 HA GLN 124 56.016 8.272 23.042 269 1HB GLN 124 2HB GLN 124 55.171 10.761 24.420 270 2HB GLN 124 3HB GLN 124 54.157 10.206 23.094 271 1HG GLN 124 2HG GLN 124 53.680 8.171 24.172 272 2HG GLN 124 3HG GLN 124 54.973 8.402 25.348 273 1HE2 GLN 124 1HE2 GLN 124 52.505 7.775 26.234 274 2HE2 GLN 124 2HE2 GLN 124 51.774 9.135 27.009 275 H ASP 125 H ASP 125 56.813 11.691 22.482 276 HA ASP 125 HA ASP 125 57.120 12.887 20.572 277 1HB ASP 125 2HB ASP 125 58.641 10.924 20.070 278 2HB ASP 125 3HB ASP 125 57.316 10.241 19.131 279 HA PRO 126 HA PRO 126 56.022 14.458 20.749 280 1HB PRO 126 2HB PRO 126 53.788 15.564 21.824 281 2HB PRO 126 3HB PRO 126 54.326 15.896 20.173 282 1HG PRO 126 2HG PRO 126 52.216 14.001 21.135 283 2HG PRO 126 3HG PRO 126 52.178 15.110 19.751 284 1HD PRO 126 2HD PRO 126 52.674 12.462 19.483 285 2HD PRO 126 3HD PRO 126 53.394 13.682 18.413 286 H ALA 127 H ALA 127 56.416 14.852 22.959 287 HA ALA 127 HA ALA 127 55.982 12.573 24.660 288 1HB ALA 127 1HB ALA 127 58.096 13.444 24.957 289 2HB ALA 127 2HB ALA 127 57.532 15.115 24.889 290 3HB ALA 127 3HB ALA 127 57.226 14.138 26.326 291 H GLN 128 H GLN 128 55.465 13.152 27.077 292 HA GLN 128 HA GLN 128 52.854 14.469 27.034 293 1HB GLN 128 2HB GLN 128 53.625 12.077 28.096 294 2HB GLN 128 3HB GLN 128 53.715 13.123 29.506 295 1HG GLN 128 2HG GLN 128 51.346 13.882 28.780 296 2HG GLN 128 3HG GLN 128 51.346 12.386 27.847 297 1HE2 GLN 128 1HE2 GLN 128 49.548 12.891 29.903 298 2HE2 GLN 128 2HE2 GLN 128 49.860 11.795 31.199 299 H ASP 129 H ASP 129 52.321 16.176 28.333 300 HA ASP 129 HA ASP 129 54.331 17.982 29.068 301 1HB ASP 129 2HB ASP 129 51.400 17.814 29.359 302 2HB ASP 129 3HB ASP 129 52.210 18.820 30.557 303 H ALA 130 H ALA 130 55.447 18.336 30.900 304 HA ALA 130 HA ALA 130 55.199 16.364 33.028 305 1HB ALA 130 1HB ALA 130 57.421 16.538 32.674 306 2HB ALA 130 2HB ALA 130 57.308 18.193 32.074 307 3HB ALA 130 3HB ALA 130 57.275 17.881 33.810 308 H VAL 131 H VAL 131 54.621 16.795 35.106 309 HA VAL 131 HA VAL 131 53.823 19.564 35.729 310 HB VAL 131 HB VAL 131 52.010 18.600 37.147 311 1HG1 VAL 131 1HG1 VAL 131 51.756 19.421 34.742 312 2HG1 VAL 131 2HG1 VAL 131 51.668 17.714 34.299 313 3HG1 VAL 131 3HG1 VAL 131 50.469 18.407 35.392 314 1HG2 VAL 131 1HG2 VAL 131 51.976 16.061 35.692 315 2HG2 VAL 131 2HG2 VAL 131 53.324 16.229 36.817 316 3HG2 VAL 131 3HG2 VAL 131 51.667 16.397 37.396 317 H LYS 132 H LYS 132 56.265 17.873 36.326 318 HA LYS 132 HA LYS 132 56.374 18.532 39.166 319 1HB LYS 132 2HB LYS 132 57.213 15.820 38.124 320 2HB LYS 132 3HB LYS 132 57.315 16.379 39.788 321 1HG LYS 132 2HG LYS 132 54.731 16.093 38.274 322 2HG LYS 132 3HG LYS 132 55.414 14.840 39.314 323 1HD LYS 132 2HD LYS 132 55.138 16.135 41.247 324 2HD LYS 132 3HD LYS 132 54.936 17.626 40.325 325 1HE LYS 132 2HE LYS 132 52.911 15.893 39.452 326 2HE LYS 132 3HE LYS 132 52.953 15.742 41.207 327 1HZ LYS 132 1HZ LYS 132 51.911 17.841 39.650 328 2HZ LYS 132 2HZ LYS 132 53.165 18.448 40.608 329 3HZ LYS 132 3HZ LYS 132 51.861 17.647 41.329 330 H THR 133 H THR 133 58.667 18.290 40.002 331 HA THR 133 HA THR 133 60.794 18.333 38.071 332 HB THR 133 HB THR 133 60.464 20.897 39.602 333 HG1 THR 133 HG1 THR 133 58.734 21.167 38.369 334 1HG2 THR 133 1HG2 THR 133 61.861 21.747 37.718 335 2HG2 THR 133 2HG2 THR 133 61.963 20.096 37.106 336 3HG2 THR 133 3HG2 THR 133 62.651 20.499 38.679 337 H CYS 134 H CYS 134 62.106 16.904 39.208 338 HA CYS 134 HA CYS 134 62.276 17.153 42.051 339 1HB CYS 134 2HB CYS 134 62.326 14.947 40.933 340 2HB CYS 134 3HB CYS 134 63.830 15.375 40.140 341 H VAL 135 H VAL 135 63.407 18.814 42.824 342 HA VAL 135 HA VAL 135 65.349 20.307 41.457 343 HB VAL 135 HB VAL 135 64.064 20.443 43.968 344 1HG1 VAL 135 1HG1 VAL 135 65.874 21.067 45.470 345 2HG1 VAL 135 2HG1 VAL 135 66.063 19.396 44.933 346 3HG1 VAL 135 3HG1 VAL 135 67.061 20.668 44.228 347 1HG2 VAL 135 1HG2 VAL 135 66.059 22.423 42.904 348 2HG2 VAL 135 2HG2 VAL 135 64.473 22.196 42.167 349 3HG2 VAL 135 3HG2 VAL 135 64.598 22.732 43.842 350 H THR 136 H THR 136 65.592 17.455 43.456 351 HA THR 136 HA THR 136 68.408 17.587 43.876 352 HB THR 136 HB THR 136 66.474 15.275 44.080 353 HG1 THR 136 HG1 THR 136 67.534 17.182 45.862 354 1HG2 THR 136 1HG2 THR 136 68.470 14.146 43.772 355 2HG2 THR 136 2HG2 THR 136 68.450 14.359 45.522 356 3HG2 THR 136 3HG2 THR 136 69.429 15.425 44.515 357 H CYS 137 H CYS 137 66.307 16.153 41.347 358 HA CYS 137 HA CYS 137 68.572 14.812 40.180 359 1HB CYS 137 2HB CYS 137 65.642 14.990 39.455 360 2HB CYS 137 3HB CYS 137 66.816 14.277 38.367 361 H GLU 138 H GLU 138 66.974 17.825 40.123 362 HA GLU 138 HA GLU 138 67.291 19.761 38.970 363 1HB GLU 138 2HB GLU 138 69.743 18.904 39.276 364 2HB GLU 138 3HB GLU 138 69.649 18.575 37.552 365 1HG GLU 138 2HG GLU 138 69.765 20.744 36.998 366 2HG GLU 138 3HG GLU 138 68.755 21.253 38.351 367 H VAL 139 H VAL 139 65.578 17.767 37.895 368 HA VAL 139 HA VAL 139 65.502 18.679 35.137 369 HB VAL 139 HB VAL 139 65.533 15.732 35.803 370 1HG1 VAL 139 1HG1 VAL 139 65.052 17.202 33.219 371 2HG1 VAL 139 2HG1 VAL 139 65.438 15.483 33.308 372 3HG1 VAL 139 3HG1 VAL 139 63.961 16.095 34.052 373 1HG2 VAL 139 1HG2 VAL 139 67.768 16.516 35.836 374 2HG2 VAL 139 2HG2 VAL 139 67.533 15.760 34.259 375 3HG2 VAL 139 3HG2 VAL 139 67.513 17.518 34.407 376 H SER 140 H SER 140 63.452 18.632 34.226 377 HA SER 140 HA SER 140 61.286 18.268 36.150 378 1HB SER 140 2HB SER 140 59.939 19.599 34.666 379 2HB SER 140 3HB SER 140 61.507 20.391 34.816 380 HG SER 140 HG SER 140 60.620 18.751 32.675 381 H TYR 141 H TYR 141 59.869 16.645 36.064 382 HA TYR 141 HA TYR 141 59.725 15.033 33.604 383 1HB TYR 141 2HB TYR 141 59.730 13.947 36.428 384 2HB TYR 141 3HB TYR 141 59.590 12.999 34.952 385 HD1 TYR 141 HD1 TYR 141 61.795 13.941 37.439 386 HD2 TYR 141 HD2 TYR 141 61.595 13.552 33.207 387 HE1 TYR 141 HE1 TYR 141 64.244 13.733 37.348 388 HE2 TYR 141 HE2 TYR 141 64.043 13.341 33.105 389 HH TYR 141 HH TYR 141 65.917 12.516 35.418 390 H CYS 142 H CYS 142 57.703 13.395 33.811 391 HA CYS 142 HA CYS 142 55.497 15.141 34.579 392 1HB CYS 142 2HB CYS 142 54.122 13.861 33.056 393 2HB CYS 142 3HB CYS 142 55.574 14.382 32.223 394 H ASP 143 H ASP 143 53.617 12.985 34.668 395 HA ASP 143 HA ASP 143 54.046 12.072 37.367 396 1HB ASP 143 2HB ASP 143 51.807 12.627 35.785 397 2HB ASP 143 3HB ASP 143 51.751 10.887 36.051 398 H GLU 144 H GLU 144 53.097 10.312 34.409 399 HA GLU 144 HA GLU 144 53.499 7.753 35.216 400 1HB GLU 144 2HB GLU 144 53.988 9.070 32.563 401 2HB GLU 144 3HB GLU 144 54.303 7.354 32.779 402 1HG GLU 144 2HG GLU 144 51.784 7.671 33.840 403 2HG GLU 144 3HG GLU 144 51.788 8.762 32.455 404 H CYS 145 H CYS 145 56.092 9.715 33.559 405 HA CYS 145 HA CYS 145 58.096 7.904 33.857 406 1HB CYS 145 2HB CYS 145 58.128 10.925 33.811 407 2HB CYS 145 3HB CYS 145 59.610 10.000 33.936 408 H LEU 146 H LEU 146 57.245 10.595 36.036 409 HA LEU 146 HA LEU 146 59.027 10.167 38.086 410 1HB LEU 146 2HB LEU 146 57.583 12.104 37.996 411 2HB LEU 146 3HB LEU 146 56.164 11.092 38.256 412 HG LEU 146 HG LEU 146 57.557 10.511 40.484 413 1HD1 LEU 146 1HD1 LEU 146 58.297 12.854 41.288 414 2HD1 LEU 146 2HD1 LEU 146 58.456 13.213 39.569 415 3HD1 LEU 146 3HD1 LEU 146 59.395 11.904 40.287 416 1HD2 LEU 146 1HD2 LEU 146 56.202 12.618 41.398 417 2HD2 LEU 146 2HD2 LEU 146 55.411 11.122 40.900 418 3HD2 LEU 146 3HD2 LEU 146 55.470 12.498 39.797 419 H LYS 147 H LYS 147 56.164 8.363 37.283 420 HA LYS 147 HA LYS 147 55.890 7.008 39.772 421 1HB LYS 147 2HB LYS 147 54.279 7.267 37.644 422 2HB LYS 147 3HB LYS 147 54.972 5.695 37.269 423 1HG LYS 147 2HG LYS 147 54.322 5.074 39.681 424 2HG LYS 147 3HG LYS 147 53.285 6.499 39.603 425 1HD LYS 147 2HD LYS 147 53.018 4.839 37.241 426 2HD LYS 147 3HD LYS 147 52.661 3.942 38.719 427 1HE LYS 147 2HE LYS 147 50.599 4.828 38.282 428 2HE LYS 147 3HE LYS 147 51.273 6.105 39.294 429 1HZ LYS 147 1HZ LYS 147 51.750 6.311 36.428 430 2HZ LYS 147 2HZ LYS 147 51.428 7.524 37.560 431 3HZ LYS 147 3HZ LYS 147 50.164 6.580 36.951 432 H ALA 148 H ALA 148 57.549 6.278 36.740 433 HA ALA 148 HA ALA 148 58.414 3.680 37.638 434 1HB ALA 148 1HB ALA 148 57.972 4.484 35.211 435 2HB ALA 148 2HB ALA 148 59.620 5.107 35.304 436 3HB ALA 148 3HB ALA 148 59.314 3.384 35.529 437 H THR 149 H THR 149 60.038 6.773 36.938 438 HA THR 149 HA THR 149 62.576 5.929 37.886 439 HB THR 149 HB THR 149 61.557 8.765 37.641 440 HG1 THR 149 HG1 THR 149 61.802 8.541 35.550 441 1HG2 THR 149 1HG2 THR 149 64.371 8.193 37.090 442 2HG2 THR 149 2HG2 THR 149 63.899 7.866 38.758 443 3HG2 THR 149 3HG2 THR 149 63.645 9.469 38.068 444 H HIS 150 H HIS 150 59.990 7.883 39.341 445 HA HIS 150 HA HIS 150 61.318 7.555 41.950 446 1HB HIS 150 2HB HIS 150 59.433 9.717 40.995 447 2HB HIS 150 3HB HIS 150 60.000 9.560 42.655 448 HD2 HIS 150 HD2 HIS 150 61.045 12.242 41.875 449 HE1 HIS 150 HE1 HIS 150 64.463 10.478 40.085 450 HA PRO 151 HA PRO 151 57.425 5.026 42.056 451 1HB PRO 151 2HB PRO 151 58.568 2.893 43.286 452 2HB PRO 151 3HB PRO 151 58.572 3.106 41.530 453 1HG PRO 151 2HG PRO 151 60.734 3.698 43.516 454 2HG PRO 151 3HG PRO 151 60.857 2.929 41.923 455 1HD PRO 151 2HD PRO 151 61.483 5.531 42.337 456 2HD PRO 151 3HD PRO 151 60.802 4.945 40.806 457 H ASN 152 H ASN 152 56.137 4.545 43.857 458 HA ASN 152 HA ASN 152 55.347 4.720 45.985 459 1HB ASN 152 2HB ASN 152 58.079 3.933 46.289 460 2HB ASN 152 3HB ASN 152 57.693 5.104 47.547 461 1HD2 ASN 152 1HD2 ASN 152 58.229 2.225 47.702 462 2HD2 ASN 152 2HD2 ASN 152 56.852 1.535 48.484 463 H LYS 153 H LYS 153 54.578 6.380 47.191 464 HA LYS 153 HA LYS 153 55.958 8.694 47.925 465 1HB LYS 153 2HB LYS 153 54.748 10.305 46.359 466 2HB LYS 153 3HB LYS 153 56.093 9.398 45.679 467 1HG LYS 153 2HG LYS 153 53.644 7.944 45.326 468 2HG LYS 153 3HG LYS 153 53.482 9.585 44.697 469 1HD LYS 153 2HD LYS 153 54.914 9.205 43.003 470 2HD LYS 153 3HD LYS 153 56.011 8.261 44.014 471 1HE LYS 153 2HE LYS 153 55.075 6.855 42.283 472 2HE LYS 153 3HE LYS 153 54.467 6.347 43.858 473 1HZ LYS 153 1HZ LYS 153 53.040 7.415 41.592 474 2HZ LYS 153 2HZ LYS 153 52.607 8.125 43.065 475 3HZ LYS 153 3HZ LYS 153 52.483 6.450 42.865 476 H LYS 154 H LYS 154 54.902 9.152 49.730 477 HA LYS 154 HA LYS 154 52.216 9.980 49.792 478 1HB LYS 154 2HB LYS 154 52.128 7.365 49.558 479 2HB LYS 154 3HB LYS 154 52.512 7.396 51.275 480 1HG LYS 154 2HG LYS 154 50.504 9.078 51.376 481 2HG LYS 154 3HG LYS 154 50.049 8.288 49.864 482 1HD LYS 154 2HD LYS 154 50.812 6.325 51.820 483 2HD LYS 154 3HD LYS 154 49.570 7.391 52.481 484 1HE LYS 154 2HE LYS 154 48.535 6.952 50.045 485 2HE LYS 154 3HE LYS 154 49.428 5.446 50.256 486 1HZ LYS 154 1HZ LYS 154 48.086 5.943 52.638 487 2HZ LYS 154 2HZ LYS 154 47.773 4.722 51.510 488 3HZ LYS 154 3HZ LYS 154 46.968 6.205 51.395 489 HA PRO 155 HA PRO 155 52.272 11.877 50.129 490 1HB PRO 155 2HB PRO 155 53.807 14.092 50.463 491 2HB PRO 155 3HB PRO 155 52.372 13.760 51.441 492 1HG PRO 155 2HG PRO 155 55.258 13.309 52.098 493 2HG PRO 155 3HG PRO 155 53.968 13.971 53.120 494 1HD PRO 155 2HD PRO 155 54.809 11.404 53.313 495 2HD PRO 155 3HD PRO 155 53.129 11.884 53.627 496 H PHE 156 H PHE 156 55.777 11.945 50.809 497 HA PHE 156 HA PHE 156 56.323 11.061 48.098 498 1HB PHE 156 2HB PHE 156 57.074 13.772 49.146 499 2HB PHE 156 3HB PHE 156 58.091 12.969 47.954 500 HD1 PHE 156 HD1 PHE 156 57.024 12.256 45.764 501 HD2 PHE 156 HD2 PHE 156 55.165 14.937 48.498 502 HE1 PHE 156 HE1 PHE 156 55.558 13.070 43.963 503 HE2 PHE 156 HE2 PHE 156 53.695 15.753 46.702 504 HZ PHE 156 HZ PHE 156 53.889 14.821 44.432 505 H THR 157 H THR 157 56.770 9.374 49.947 506 HA THR 157 HA THR 157 59.101 9.619 51.510 507 HB THR 157 HB THR 157 58.932 7.284 51.940 508 HG1 THR 157 HG1 THR 157 58.752 6.395 49.914 509 1HG2 THR 157 1HG2 THR 157 56.784 7.140 52.801 510 2HG2 THR 157 2HG2 THR 157 56.062 7.951 51.411 511 3HG2 THR 157 3HG2 THR 157 56.980 8.880 52.596 512 H GLY 158 H GLY 158 58.661 9.072 48.161 513 1HA GLY 158 2HA GLY 158 61.094 7.632 47.689 514 2HA GLY 158 3HA GLY 158 60.086 8.403 46.474 515 H HIS 159 H HIS 159 60.531 10.492 45.816 516 HA HIS 159 HA HIS 159 63.122 11.545 46.736 517 1HB HIS 159 2HB HIS 159 62.193 10.959 44.142 518 2HB HIS 159 3HB HIS 159 62.227 12.716 44.258 519 HD2 HIS 159 HD2 HIS 159 65.042 12.598 46.224 520 HE1 HIS 159 HE1 HIS 159 66.696 11.150 42.596 521 H ARG 160 H ARG 160 63.124 14.065 45.879 522 HA ARG 160 HA ARG 160 60.878 15.289 47.336 523 1HB ARG 160 2HB ARG 160 63.564 15.522 47.838 524 2HB ARG 160 3HB ARG 160 63.252 16.950 46.862 525 1HG ARG 160 2HG ARG 160 61.821 17.870 48.421 526 2HG ARG 160 3HG ARG 160 61.472 16.310 49.170 527 1HD ARG 160 2HD ARG 160 64.231 16.685 49.453 528 2HD ARG 160 3HD ARG 160 63.500 18.247 49.825 529 HE ARG 160 HE ARG 160 62.149 16.122 51.149 530 1HH1 ARG 160 2HH1 ARG 160 65.008 18.104 51.269 531 2HH1 ARG 160 1HH1 ARG 160 65.204 17.946 52.983 532 1HH2 ARG 160 2HH2 ARG 160 62.396 15.908 53.406 533 2HH2 ARG 160 1HH2 ARG 160 63.718 16.696 54.197 534 H LEU 161 H LEU 161 61.135 17.894 46.582 535 HA LEU 161 HA LEU 161 61.085 18.004 43.671 536 1HB LEU 161 2HB LEU 161 58.735 17.711 45.166 537 2HB LEU 161 3HB LEU 161 58.796 19.411 44.707 538 HG LEU 161 HG LEU 161 59.310 18.303 42.322 539 1HD1 LEU 161 1HD1 LEU 161 59.133 16.061 42.576 540 2HD1 LEU 161 2HD1 LEU 161 57.421 16.416 42.348 541 3HD1 LEU 161 3HD1 LEU 161 58.065 16.190 43.973 542 1HD2 LEU 161 1HD2 LEU 161 57.582 19.921 42.699 543 2HD2 LEU 161 2HD2 LEU 161 56.614 18.750 43.596 544 3HD2 LEU 161 3HD2 LEU 161 56.876 18.537 41.865 545 H ILE 162 H ILE 162 60.064 20.487 43.280 546 HA ILE 162 HA ILE 162 62.166 22.196 43.789 547 HB ILE 162 HB ILE 162 59.279 23.005 43.430 548 1HG1 ILE 162 2HG1 ILE 162 60.002 21.541 41.623 549 2HG1 ILE 162 3HG1 ILE 162 59.875 23.195 41.034 550 1HG2 ILE 162 1HG2 ILE 162 60.939 24.878 42.230 551 2HG2 ILE 162 2HG2 ILE 162 60.050 25.069 43.741 552 3HG2 ILE 162 3HG2 ILE 162 61.723 24.513 43.766 553 1HD1 ILE 162 1HD1 ILE 162 61.850 22.485 40.099 554 2HD1 ILE 162 2HD1 ILE 162 62.411 23.299 41.561 555 3HD1 ILE 162 3HD1 ILE 162 62.305 21.539 41.517 556 H GLU 163 H GLU 163 62.799 23.467 45.432 557 HA GLU 163 HA GLU 163 61.984 23.053 48.035 558 1HB GLU 163 2HB GLU 163 63.621 25.064 46.637 559 2HB GLU 163 3HB GLU 163 62.951 25.596 48.174 560 1HG GLU 163 2HG GLU 163 63.900 23.182 48.886 561 2HG GLU 163 3HG GLU 163 65.034 23.600 47.602 562 HA PRO 164 HA PRO 164 58.316 25.347 48.757 563 1HB PRO 164 2HB PRO 164 58.753 26.394 51.223 564 2HB PRO 164 3HB PRO 164 58.439 24.675 50.950 565 1HG PRO 164 2HG PRO 164 61.049 26.081 51.371 566 2HG PRO 164 3HG PRO 164 60.483 24.545 52.051 567 1HD PRO 164 2HD PRO 164 62.179 24.668 49.945 568 2HD PRO 164 3HD PRO 164 60.987 23.366 50.136 Start of MODEL 13 1 1H GLN 87 H GLN 87 41.343 -29.306 -10.390 2 HA GLN 87 HA GLN 87 42.581 -27.392 -11.383 3 1HB GLN 87 2HB GLN 87 39.820 -26.865 -10.289 4 2HB GLN 87 3HB GLN 87 40.641 -25.758 -11.380 5 1HG GLN 87 2HG GLN 87 39.538 -26.918 -12.951 6 2HG GLN 87 3HG GLN 87 40.890 -28.036 -12.774 7 1HE2 GLN 87 1HE2 GLN 87 38.113 -28.503 -13.598 8 2HE2 GLN 87 2HE2 GLN 87 37.499 -29.704 -12.518 9 H LYS 88 H LYS 88 43.870 -27.543 -8.980 10 HA LYS 88 HA LYS 88 43.493 -24.929 -7.702 11 1HB LYS 88 2HB LYS 88 44.670 -27.523 -6.841 12 2HB LYS 88 3HB LYS 88 45.353 -26.054 -6.157 13 1HG LYS 88 2HG LYS 88 43.572 -25.683 -4.855 14 2HG LYS 88 3HG LYS 88 42.427 -26.160 -6.112 15 1HD LYS 88 2HD LYS 88 42.836 -28.500 -5.641 16 2HD LYS 88 3HD LYS 88 44.077 -28.074 -4.460 17 1HE LYS 88 2HE LYS 88 42.525 -27.275 -2.931 18 2HE LYS 88 3HE LYS 88 41.289 -27.029 -4.164 19 1HZ LYS 88 1HZ LYS 88 42.211 -29.616 -3.044 20 2HZ LYS 88 2HZ LYS 88 41.188 -29.488 -4.385 21 3HZ LYS 88 3HZ LYS 88 40.681 -28.913 -2.877 22 H ALA 89 H ALA 89 44.824 -23.303 -8.143 23 HA ALA 89 HA ALA 89 47.587 -23.833 -8.903 24 1HB ALA 89 1HB ALA 89 46.034 -23.691 -10.970 25 2HB ALA 89 2HB ALA 89 46.022 -21.960 -10.633 26 3HB ALA 89 3HB ALA 89 47.547 -22.781 -10.966 27 H SER 90 H SER 90 48.521 -21.428 -9.505 28 HA SER 90 HA SER 90 47.489 -19.302 -7.915 29 1HB SER 90 2HB SER 90 49.056 -21.206 -6.531 30 2HB SER 90 3HB SER 90 50.073 -19.780 -6.743 31 HG SER 90 HG SER 90 48.984 -19.209 -5.002 32 H VAL 91 H VAL 91 48.370 -17.376 -8.498 33 HA VAL 91 HA VAL 91 50.560 -17.486 -10.462 34 HB VAL 91 HB VAL 91 49.731 -15.259 -11.220 35 1HG1 VAL 91 1HG1 VAL 91 48.039 -17.720 -11.361 36 2HG1 VAL 91 2HG1 VAL 91 47.508 -16.235 -12.152 37 3HG1 VAL 91 3HG1 VAL 91 49.043 -16.977 -12.606 38 1HG2 VAL 91 1HG2 VAL 91 47.078 -15.393 -10.226 39 2HG2 VAL 91 2HG2 VAL 91 48.176 -15.466 -8.848 40 3HG2 VAL 91 3HG2 VAL 91 48.277 -14.122 -9.986 41 H SER 92 H SER 92 51.800 -15.322 -10.563 42 HA SER 92 HA SER 92 52.364 -14.385 -7.828 43 1HB SER 92 2HB SER 92 54.064 -15.974 -9.268 44 2HB SER 92 3HB SER 92 54.644 -14.363 -9.689 45 HG SER 92 HG SER 92 55.648 -15.196 -7.798 46 H GLY 93 H GLY 93 52.377 -12.241 -7.565 47 1HA GLY 93 2HA GLY 93 52.774 -10.534 -9.930 48 2HA GLY 93 3HA GLY 93 51.349 -10.305 -8.926 49 HA PRO 94 HA PRO 94 55.185 -9.058 -6.235 50 1HB PRO 94 2HB PRO 94 57.528 -8.756 -7.573 51 2HB PRO 94 3HB PRO 94 57.037 -10.282 -6.828 52 1HG PRO 94 2HG PRO 94 56.848 -9.425 -9.690 53 2HG PRO 94 3HG PRO 94 57.356 -10.986 -9.022 54 1HD PRO 94 2HD PRO 94 54.878 -10.572 -10.031 55 2HD PRO 94 3HD PRO 94 55.187 -11.693 -8.690 56 H ASN 95 H ASN 95 56.673 -7.032 -6.236 57 HA ASN 95 HA ASN 95 55.645 -5.053 -8.157 58 1HB ASN 95 2HB ASN 95 54.673 -5.050 -5.715 59 2HB ASN 95 3HB ASN 95 56.201 -4.265 -5.322 60 1HD2 ASN 95 1HD2 ASN 95 54.885 -2.453 -4.711 61 2HD2 ASN 95 2HD2 ASN 95 54.324 -1.353 -5.919 62 H SER 96 H SER 96 57.102 -3.626 -8.956 63 HA SER 96 HA SER 96 59.854 -3.806 -7.915 64 1HB SER 96 2HB SER 96 59.533 -4.831 -10.175 65 2HB SER 96 3HB SER 96 59.039 -3.248 -10.777 66 HG SER 96 HG SER 96 61.284 -3.719 -11.116 67 HA PRO 97 HA PRO 97 58.354 0.579 -7.500 68 1HB PRO 97 2HB PRO 97 59.260 0.901 -4.961 69 2HB PRO 97 3HB PRO 97 57.667 0.233 -5.335 70 1HG PRO 97 2HG PRO 97 60.200 -1.195 -4.621 71 2HG PRO 97 3HG PRO 97 58.546 -1.503 -4.061 72 1HD PRO 97 2HD PRO 97 59.727 -2.979 -6.000 73 2HD PRO 97 3HD PRO 97 57.980 -2.661 -5.972 74 H SER 98 H SER 98 59.624 2.212 -8.134 75 HA SER 98 HA SER 98 62.302 1.927 -8.776 76 1HB SER 98 2HB SER 98 61.592 4.684 -8.108 77 2HB SER 98 3HB SER 98 62.066 3.989 -9.658 78 HG SER 98 HG SER 98 60.046 4.026 -10.194 79 H GLU 99 H GLU 99 64.216 2.338 -7.776 80 HA GLU 99 HA GLU 99 64.206 2.391 -4.903 81 1HB GLU 99 2HB GLU 99 66.685 2.310 -5.152 82 2HB GLU 99 3HB GLU 99 65.847 1.019 -6.001 83 1HG GLU 99 2HG GLU 99 66.144 3.218 -7.777 84 2HG GLU 99 3HG GLU 99 67.703 2.887 -7.023 85 H THR 100 H THR 100 65.352 3.938 -3.600 86 HA THR 100 HA THR 100 66.237 6.431 -4.641 87 HB THR 100 HB THR 100 63.829 6.802 -4.942 88 HG1 THR 100 HG1 THR 100 64.635 8.351 -2.711 89 1HG2 THR 100 1HG2 THR 100 63.250 6.967 -2.068 90 2HG2 THR 100 2HG2 THR 100 63.495 5.329 -2.674 91 3HG2 THR 100 3HG2 THR 100 62.257 6.359 -3.391 92 H ARG 101 H ARG 101 66.923 7.916 -2.956 93 HA ARG 101 HA ARG 101 67.060 6.740 -0.272 94 1HB ARG 101 2HB ARG 101 69.469 7.503 -0.165 95 2HB ARG 101 3HB ARG 101 69.154 6.113 -1.196 96 1HG ARG 101 2HG ARG 101 69.099 7.686 -3.145 97 2HG ARG 101 3HG ARG 101 69.657 8.951 -2.049 98 1HD ARG 101 2HD ARG 101 71.679 7.739 -1.590 99 2HD ARG 101 3HD ARG 101 71.099 6.344 -2.500 100 HE ARG 101 HE ARG 101 71.110 8.513 -4.236 101 1HH1 ARG 101 2HH1 ARG 101 73.399 6.634 -2.405 102 2HH1 ARG 101 1HH1 ARG 101 74.699 6.886 -3.523 103 1HH2 ARG 101 2HH2 ARG 101 72.814 8.852 -5.715 104 2HH2 ARG 101 1HH2 ARG 101 74.364 8.149 -5.405 105 H ARG 102 H ARG 102 67.924 8.364 1.343 106 HA ARG 102 HA ARG 102 67.840 11.136 0.758 107 1HB ARG 102 2HB ARG 102 65.764 11.643 2.081 108 2HB ARG 102 3HB ARG 102 65.479 10.878 0.523 109 1HG ARG 102 2HG ARG 102 65.732 8.832 2.473 110 2HG ARG 102 3HG ARG 102 64.612 10.050 3.087 111 1HD ARG 102 2HD ARG 102 64.354 9.089 0.271 112 2HD ARG 102 3HD ARG 102 63.747 8.089 1.590 113 HE ARG 102 HE ARG 102 62.692 10.562 2.063 114 1HH1 ARG 102 2HH1 ARG 102 62.659 8.338 -0.615 115 2HH1 ARG 102 1HH1 ARG 102 61.101 8.843 -1.183 116 1HH2 ARG 102 2HH2 ARG 102 60.641 11.235 1.325 117 2HH2 ARG 102 1HH2 ARG 102 59.955 10.490 -0.080 118 H GLU 103 H GLU 103 68.061 12.469 2.699 119 HA GLU 103 HA GLU 103 69.440 10.980 4.803 120 1HB GLU 103 2HB GLU 103 69.370 13.968 4.362 121 2HB GLU 103 3HB GLU 103 70.459 13.080 5.419 122 1HG GLU 103 2HG GLU 103 71.871 13.301 3.691 123 2HG GLU 103 3HG GLU 103 71.021 11.878 3.092 124 H ARG 104 H ARG 104 69.224 11.920 7.060 125 HA ARG 104 HA ARG 104 66.802 13.250 7.767 126 1HB ARG 104 2HB ARG 104 66.807 10.339 7.619 127 2HB ARG 104 3HB ARG 104 66.382 10.926 9.221 128 1HG ARG 104 2HG ARG 104 65.039 12.258 6.962 129 2HG ARG 104 3HG ARG 104 64.607 10.570 7.244 130 1HD ARG 104 2HD ARG 104 63.169 11.361 8.760 131 2HD ARG 104 3HD ARG 104 64.586 11.628 9.774 132 HE ARG 104 HE ARG 104 64.076 13.823 8.017 133 1HH1 ARG 104 2HH1 ARG 104 63.146 12.355 11.034 134 2HH1 ARG 104 1HH1 ARG 104 62.590 13.839 11.734 135 1HH2 ARG 104 2HH2 ARG 104 63.347 15.782 8.928 136 2HH2 ARG 104 1HH2 ARG 104 62.704 15.787 10.536 137 H ALA 105 H ALA 105 66.823 13.968 9.875 138 HA ALA 105 HA ALA 105 69.233 13.281 11.427 139 1HB ALA 105 1HB ALA 105 67.748 15.879 11.157 140 2HB ALA 105 2HB ALA 105 68.890 15.573 12.466 141 3HB ALA 105 3HB ALA 105 69.438 15.537 10.790 142 H PHE 106 H PHE 106 69.048 12.850 13.599 143 HA PHE 106 HA PHE 106 66.361 12.906 14.776 144 1HB PHE 106 2HB PHE 106 68.138 10.538 14.403 145 2HB PHE 106 3HB PHE 106 67.175 10.633 15.873 146 HD1 PHE 106 HD1 PHE 106 64.878 10.144 15.854 147 HD2 PHE 106 HD2 PHE 106 66.984 10.588 12.182 148 HE1 PHE 106 HE1 PHE 106 62.930 9.266 14.635 149 HE2 PHE 106 HE2 PHE 106 65.039 9.711 10.957 150 HZ PHE 106 HZ PHE 106 63.008 9.050 12.182 151 H ASP 107 H ASP 107 67.357 14.835 15.762 152 HA ASP 107 HA ASP 107 68.674 14.096 18.264 153 1HB ASP 107 2HB ASP 107 70.020 15.397 16.114 154 2HB ASP 107 3HB ASP 107 69.824 16.564 17.418 155 H ALA 108 H ALA 108 68.339 15.572 19.970 156 HA ALA 108 HA ALA 108 66.828 17.979 19.575 157 1HB ALA 108 1HB ALA 108 65.143 16.658 21.364 158 2HB ALA 108 2HB ALA 108 64.783 17.118 19.699 159 3HB ALA 108 3HB ALA 108 65.419 15.511 20.052 160 H ASN 109 H ASN 109 67.998 19.232 20.885 161 HA ASN 109 HA ASN 109 68.166 18.507 23.709 162 1HB ASN 109 2HB ASN 109 70.309 17.874 22.373 163 2HB ASN 109 3HB ASN 109 70.616 19.608 22.364 164 1HD2 ASN 109 1HD2 ASN 109 72.165 17.534 23.616 165 2HD2 ASN 109 2HD2 ASN 109 72.200 17.888 25.306 166 H THR 110 H THR 110 66.417 20.187 23.489 167 HA THR 110 HA THR 110 67.599 22.818 23.976 168 HB THR 110 HB THR 110 65.582 23.810 22.699 169 HG1 THR 110 HG1 THR 110 65.665 21.146 21.725 170 1HG2 THR 110 1HG2 THR 110 67.077 24.364 21.124 171 2HG2 THR 110 2HG2 THR 110 67.296 22.686 20.626 172 3HG2 THR 110 3HG2 THR 110 68.203 23.325 21.997 173 H MET 111 H MET 111 66.447 24.114 25.402 174 HA MET 111 HA MET 111 64.336 22.712 26.883 175 1HB MET 111 2HB MET 111 66.291 24.867 27.644 176 2HB MET 111 3HB MET 111 64.864 24.544 28.619 177 1HG MET 111 2HG MET 111 65.791 22.762 29.557 178 2HG MET 111 3HG MET 111 66.312 22.119 28.001 179 1HE MET 111 1HE MET 111 68.750 23.805 26.801 180 2HE MET 111 2HE MET 111 69.881 22.791 27.697 181 3HE MET 111 3HE MET 111 68.376 22.105 27.083 182 H THR 112 H THR 112 63.497 23.808 24.521 183 HA THR 112 HA THR 112 61.395 25.503 25.362 184 HB THR 112 HB THR 112 62.935 27.311 25.404 185 HG1 THR 112 HG1 THR 112 61.537 28.441 24.303 186 1HG2 THR 112 1HG2 THR 112 64.048 25.991 22.991 187 2HG2 THR 112 2HG2 THR 112 64.875 26.787 24.330 188 3HG2 THR 112 3HG2 THR 112 64.131 27.751 23.056 189 H SER 113 H SER 113 60.620 23.503 24.239 190 HA SER 113 HA SER 113 60.678 23.750 21.314 191 1HB SER 113 2HB SER 113 61.286 21.555 22.434 192 2HB SER 113 3HB SER 113 59.595 21.428 22.915 193 HG SER 113 HG SER 113 59.009 21.147 20.856 194 H ALA 114 H ALA 114 58.376 23.117 23.957 195 HA ALA 114 HA ALA 114 56.277 24.346 22.290 196 1HB ALA 114 1HB ALA 114 55.149 22.668 24.311 197 2HB ALA 114 2HB ALA 114 55.002 22.552 22.557 198 3HB ALA 114 3HB ALA 114 56.340 21.754 23.386 199 H GLU 115 H GLU 115 58.141 25.514 24.315 200 HA GLU 115 HA GLU 115 58.016 27.196 25.851 201 1HB GLU 115 2HB GLU 115 55.022 26.939 25.902 202 2HB GLU 115 3HB GLU 115 56.008 28.366 26.190 203 1HG GLU 115 2HG GLU 115 56.656 27.677 23.611 204 2HG GLU 115 3HG GLU 115 54.935 27.305 23.708 205 H LYS 116 H LYS 116 55.186 25.198 26.688 206 HA LYS 116 HA LYS 116 55.597 25.221 29.438 207 1HB LYS 116 2HB LYS 116 53.822 23.957 27.607 208 2HB LYS 116 3HB LYS 116 54.423 22.723 28.705 209 1HG LYS 116 2HG LYS 116 53.651 23.959 30.610 210 2HG LYS 116 3HG LYS 116 53.200 25.327 29.592 211 1HD LYS 116 2HD LYS 116 51.887 23.132 28.480 212 2HD LYS 116 3HD LYS 116 51.712 22.933 30.225 213 1HE LYS 116 2HE LYS 116 49.951 24.309 29.946 214 2HE LYS 116 3HE LYS 116 51.183 25.569 29.975 215 1HZ LYS 116 1HZ LYS 116 49.456 25.474 28.057 216 2HZ LYS 116 2HZ LYS 116 50.493 24.301 27.418 217 3HZ LYS 116 3HZ LYS 116 51.068 25.863 27.720 218 H VAL 117 H VAL 117 56.419 23.650 30.887 219 HA VAL 117 HA VAL 117 58.903 22.528 30.102 220 HB VAL 117 HB VAL 117 57.318 21.978 32.615 221 1HG1 VAL 117 1HG1 VAL 117 58.915 20.392 32.809 222 2HG1 VAL 117 2HG1 VAL 117 59.997 21.188 31.665 223 3HG1 VAL 117 3HG1 VAL 117 59.901 21.757 33.333 224 1HG2 VAL 117 1HG2 VAL 117 59.194 23.678 33.431 225 2HG2 VAL 117 2HG2 VAL 117 59.036 24.244 31.767 226 3HG2 VAL 117 3HG2 VAL 117 57.627 24.223 32.829 227 H LEU 118 H LEU 118 58.727 20.975 28.543 228 HA LEU 118 HA LEU 118 56.817 18.828 28.762 229 1HB LEU 118 2HB LEU 118 58.604 19.888 26.755 230 2HB LEU 118 3HB LEU 118 58.722 18.132 26.846 231 HG LEU 118 HG LEU 118 56.024 19.391 26.651 232 1HD1 LEU 118 1HD1 LEU 118 56.154 19.462 24.245 233 2HD1 LEU 118 2HD1 LEU 118 57.830 18.917 24.284 234 3HD1 LEU 118 3HD1 LEU 118 57.403 20.501 24.931 235 1HD2 LEU 118 1HD2 LEU 118 57.163 16.773 26.531 236 2HD2 LEU 118 2HD2 LEU 118 56.377 17.137 24.993 237 3HD2 LEU 118 3HD2 LEU 118 55.464 17.249 26.499 238 H CYS 119 H CYS 119 57.204 16.624 29.290 239 HA CYS 119 HA CYS 119 59.280 16.206 31.112 240 1HB CYS 119 2HB CYS 119 57.110 14.995 31.137 241 2HB CYS 119 3HB CYS 119 57.578 14.139 29.681 242 H GLN 120 H GLN 120 61.351 15.921 30.636 243 HA GLN 120 HA GLN 120 62.316 15.526 27.988 244 1HB GLN 120 2HB GLN 120 63.500 15.907 30.674 245 2HB GLN 120 3HB GLN 120 64.503 15.063 29.501 246 1HG GLN 120 2HG GLN 120 63.372 17.339 28.234 247 2HG GLN 120 3HG GLN 120 64.064 17.841 29.776 248 1HE2 GLN 120 1HE2 GLN 120 66.294 17.254 30.191 249 2HE2 GLN 120 2HE2 GLN 120 67.397 17.139 28.866 250 H PHE 121 H PHE 121 61.751 13.435 30.734 251 HA PHE 121 HA PHE 121 63.194 11.199 29.694 252 1HB PHE 121 2HB PHE 121 62.261 11.811 32.152 253 2HB PHE 121 3HB PHE 121 60.991 10.717 31.615 254 HD1 PHE 121 HD1 PHE 121 64.655 10.997 32.085 255 HD2 PHE 121 HD2 PHE 121 61.307 8.404 31.656 256 HE1 PHE 121 HE1 PHE 121 66.074 9.073 32.669 257 HE2 PHE 121 HE2 PHE 121 62.720 6.477 32.240 258 HZ PHE 121 HZ PHE 121 65.106 6.810 32.749 259 H CYS 122 H CYS 122 59.992 12.542 29.149 260 HA CYS 122 HA CYS 122 58.698 10.181 28.425 261 1HB CYS 122 2HB CYS 122 58.217 13.086 28.113 262 2HB CYS 122 3HB CYS 122 57.462 12.082 26.892 263 H ASP 123 H ASP 123 58.157 9.546 26.216 264 HA ASP 123 HA ASP 123 59.942 10.418 24.088 265 1HB ASP 123 2HB ASP 123 60.465 8.071 25.593 266 2HB ASP 123 3HB ASP 123 59.895 7.556 24.009 267 H GLN 124 H GLN 124 57.042 10.473 24.709 268 HA GLN 124 HA GLN 124 55.715 8.598 23.036 269 1HB GLN 124 2HB GLN 124 54.971 11.023 24.559 270 2HB GLN 124 3HB GLN 124 53.938 10.625 23.194 271 1HG GLN 124 2HG GLN 124 53.459 8.463 24.107 272 2HG GLN 124 3HG GLN 124 54.630 8.705 25.403 273 1HE2 GLN 124 1HE2 GLN 124 54.108 10.013 27.130 274 2HE2 GLN 124 2HE2 GLN 124 52.499 10.562 27.433 275 H ASP 125 H ASP 125 56.796 11.937 22.585 276 HA ASP 125 HA ASP 125 57.108 13.204 20.723 277 1HB ASP 125 2HB ASP 125 58.519 11.296 20.041 278 2HB ASP 125 3HB ASP 125 57.115 10.533 19.300 279 HA PRO 126 HA PRO 126 56.146 14.847 21.001 280 1HB PRO 126 2HB PRO 126 54.040 16.079 22.192 281 2HB PRO 126 3HB PRO 126 54.556 16.440 20.540 282 1HG PRO 126 2HG PRO 126 52.328 14.679 21.487 283 2HG PRO 126 3HG PRO 126 52.341 15.847 20.153 284 1HD PRO 126 2HD PRO 126 52.613 13.182 19.758 285 2HD PRO 126 3HD PRO 126 53.399 14.387 18.717 286 H ALA 127 H ALA 127 56.591 15.150 23.231 287 HA ALA 127 HA ALA 127 56.046 12.824 24.841 288 1HB ALA 127 1HB ALA 127 58.164 13.416 25.327 289 2HB ALA 127 2HB ALA 127 57.887 15.118 24.954 290 3HB ALA 127 3HB ALA 127 57.384 14.465 26.512 291 H GLN 128 H GLN 128 55.338 13.028 27.117 292 HA GLN 128 HA GLN 128 52.895 14.543 27.244 293 1HB GLN 128 2HB GLN 128 53.853 12.185 28.411 294 2HB GLN 128 3HB GLN 128 53.658 13.311 29.749 295 1HG GLN 128 2HG GLN 128 51.328 13.754 28.737 296 2HG GLN 128 3HG GLN 128 51.595 12.242 27.871 297 1HE2 GLN 128 1HE2 GLN 128 50.598 13.671 30.755 298 2HE2 GLN 128 2HE2 GLN 128 50.459 12.238 31.710 299 H ASP 129 H ASP 129 52.341 16.047 28.897 300 HA ASP 129 HA ASP 129 54.381 17.952 29.424 301 1HB ASP 129 2HB ASP 129 51.505 17.699 30.279 302 2HB ASP 129 3HB ASP 129 52.531 19.003 30.873 303 H ALA 130 H ALA 130 55.643 18.243 31.161 304 HA ALA 130 HA ALA 130 55.524 16.251 33.281 305 1HB ALA 130 1HB ALA 130 57.708 16.448 32.614 306 2HB ALA 130 2HB ALA 130 57.577 18.182 32.315 307 3HB ALA 130 3HB ALA 130 57.681 17.577 33.969 308 H VAL 131 H VAL 131 54.376 16.641 35.048 309 HA VAL 131 HA VAL 131 53.962 19.426 35.895 310 HB VAL 131 HB VAL 131 52.066 18.591 37.209 311 1HG1 VAL 131 1HG1 VAL 131 51.948 19.222 34.718 312 2HG1 VAL 131 2HG1 VAL 131 51.746 17.492 34.439 313 3HG1 VAL 131 3HG1 VAL 131 50.579 18.369 35.430 314 1HG2 VAL 131 1HG2 VAL 131 51.297 16.247 36.831 315 2HG2 VAL 131 2HG2 VAL 131 52.843 15.920 36.046 316 3HG2 VAL 131 3HG2 VAL 131 52.797 16.375 37.749 317 H LYS 132 H LYS 132 56.354 17.725 36.433 318 HA LYS 132 HA LYS 132 56.432 18.184 39.314 319 1HB LYS 132 2HB LYS 132 57.125 15.542 38.018 320 2HB LYS 132 3HB LYS 132 57.538 15.970 39.673 321 1HG LYS 132 2HG LYS 132 54.714 15.951 38.648 322 2HG LYS 132 3HG LYS 132 55.490 14.542 39.378 323 1HD LYS 132 2HD LYS 132 55.969 15.992 41.384 324 2HD LYS 132 3HD LYS 132 54.919 17.210 40.657 325 1HE LYS 132 2HE LYS 132 53.121 15.454 40.573 326 2HE LYS 132 3HE LYS 132 54.179 14.425 41.537 327 1HZ LYS 132 1HZ LYS 132 53.706 15.558 43.384 328 2HZ LYS 132 2HZ LYS 132 52.387 16.185 42.530 329 3HZ LYS 132 3HZ LYS 132 53.829 17.065 42.625 330 H THR 133 H THR 133 58.636 18.176 40.175 331 HA THR 133 HA THR 133 60.820 18.275 38.276 332 HB THR 133 HB THR 133 60.735 20.722 39.917 333 HG1 THR 133 HG1 THR 133 59.172 21.724 38.718 334 1HG2 THR 133 1HG2 THR 133 62.473 20.889 38.479 335 2HG2 THR 133 2HG2 THR 133 61.236 21.483 37.371 336 3HG2 THR 133 3HG2 THR 133 61.744 19.795 37.305 337 H CYS 134 H CYS 134 62.117 16.789 39.368 338 HA CYS 134 HA CYS 134 62.303 17.026 42.232 339 1HB CYS 134 2HB CYS 134 62.153 14.799 41.192 340 2HB CYS 134 3HB CYS 134 63.641 15.089 40.314 341 H VAL 135 H VAL 135 63.571 18.625 42.926 342 HA VAL 135 HA VAL 135 65.568 19.955 41.499 343 HB VAL 135 HB VAL 135 66.327 20.818 43.716 344 1HG1 VAL 135 1HG1 VAL 135 64.639 22.309 43.748 345 2HG1 VAL 135 2HG1 VAL 135 64.110 21.441 42.307 346 3HG1 VAL 135 3HG1 VAL 135 63.398 21.063 43.876 347 1HG2 VAL 135 1HG2 VAL 135 64.264 18.867 44.717 348 2HG2 VAL 135 2HG2 VAL 135 65.975 18.941 45.137 349 3HG2 VAL 135 3HG2 VAL 135 64.877 20.211 45.679 350 H THR 136 H THR 136 65.781 17.248 43.763 351 HA THR 136 HA THR 136 68.579 17.123 43.950 352 HB THR 136 HB THR 136 66.515 14.932 44.225 353 HG1 THR 136 HG1 THR 136 66.790 15.348 46.431 354 1HG2 THR 136 1HG2 THR 136 69.480 14.926 44.748 355 2HG2 THR 136 2HG2 THR 136 68.538 13.796 43.775 356 3HG2 THR 136 3HG2 THR 136 68.379 13.795 45.532 357 H CYS 137 H CYS 137 66.293 15.799 41.518 358 HA CYS 137 HA CYS 137 68.405 14.306 40.271 359 1HB CYS 137 2HB CYS 137 65.478 14.724 39.665 360 2HB CYS 137 3HB CYS 137 66.542 13.972 38.494 361 H GLU 138 H GLU 138 67.042 17.441 40.246 362 HA GLU 138 HA GLU 138 67.490 19.349 39.089 363 1HB GLU 138 2HB GLU 138 69.754 17.874 37.753 364 2HB GLU 138 3HB GLU 138 69.608 19.603 38.040 365 1HG GLU 138 2HG GLU 138 69.752 19.162 40.472 366 2HG GLU 138 3HG GLU 138 70.038 17.461 40.108 367 H VAL 139 H VAL 139 65.674 17.372 38.022 368 HA VAL 139 HA VAL 139 65.554 18.363 35.293 369 HB VAL 139 HB VAL 139 65.576 15.400 35.881 370 1HG1 VAL 139 1HG1 VAL 139 65.015 16.929 33.348 371 2HG1 VAL 139 2HG1 VAL 139 65.380 15.203 33.391 372 3HG1 VAL 139 3HG1 VAL 139 63.939 15.822 34.200 373 1HG2 VAL 139 1HG2 VAL 139 67.530 15.412 34.328 374 2HG2 VAL 139 2HG2 VAL 139 67.499 17.175 34.386 375 3HG2 VAL 139 3HG2 VAL 139 67.815 16.250 35.854 376 H SER 140 H SER 140 63.486 18.390 34.438 377 HA SER 140 HA SER 140 61.356 17.996 36.393 378 1HB SER 140 2HB SER 140 60.139 19.061 34.180 379 2HB SER 140 3HB SER 140 60.819 20.006 35.506 380 HG SER 140 HG SER 140 61.665 19.767 32.924 381 H TYR 141 H TYR 141 59.916 16.394 36.297 382 HA TYR 141 HA TYR 141 59.701 14.848 33.802 383 1HB TYR 141 2HB TYR 141 59.731 13.694 36.598 384 2HB TYR 141 3HB TYR 141 59.553 12.785 35.101 385 HD1 TYR 141 HD1 TYR 141 61.538 13.314 33.342 386 HD2 TYR 141 HD2 TYR 141 61.813 13.662 37.574 387 HE1 TYR 141 HE1 TYR 141 63.980 13.068 33.197 388 HE2 TYR 141 HE2 TYR 141 64.257 13.418 37.441 389 HH TYR 141 HH TYR 141 65.907 12.329 35.750 390 H CYS 142 H CYS 142 57.653 13.246 33.991 391 HA CYS 142 HA CYS 142 55.491 15.004 34.851 392 1HB CYS 142 2HB CYS 142 54.070 13.795 33.310 393 2HB CYS 142 3HB CYS 142 55.512 14.330 32.471 394 H ASP 143 H ASP 143 53.586 12.852 34.876 395 HA ASP 143 HA ASP 143 54.024 11.855 37.544 396 1HB ASP 143 2HB ASP 143 51.748 11.880 35.614 397 2HB ASP 143 3HB ASP 143 51.729 10.682 36.906 398 H GLU 144 H GLU 144 53.043 10.189 34.543 399 HA GLU 144 HA GLU 144 53.443 7.606 35.275 400 1HB GLU 144 2HB GLU 144 54.133 8.862 32.614 401 2HB GLU 144 3HB GLU 144 53.992 7.131 32.890 402 1HG GLU 144 2HG GLU 144 51.623 8.232 33.870 403 2HG GLU 144 3HG GLU 144 51.945 9.075 32.356 404 H CYS 145 H CYS 145 56.020 9.620 33.655 405 HA CYS 145 HA CYS 145 58.023 7.792 33.865 406 1HB CYS 145 2HB CYS 145 58.063 10.814 33.916 407 2HB CYS 145 3HB CYS 145 59.544 9.880 33.990 408 H LEU 146 H LEU 146 57.205 10.414 36.139 409 HA LEU 146 HA LEU 146 59.012 9.921 38.150 410 1HB LEU 146 2HB LEU 146 57.565 11.858 38.144 411 2HB LEU 146 3HB LEU 146 56.151 10.836 38.387 412 HG LEU 146 HG LEU 146 57.585 10.188 40.577 413 1HD1 LEU 146 1HD1 LEU 146 58.021 13.100 40.625 414 2HD1 LEU 146 2HD1 LEU 146 59.137 12.168 39.628 415 3HD1 LEU 146 3HD1 LEU 146 58.965 11.795 41.343 416 1HD2 LEU 146 1HD2 LEU 146 55.400 12.042 39.953 417 2HD2 LEU 146 2HD2 LEU 146 56.205 12.343 41.493 418 3HD2 LEU 146 3HD2 LEU 146 55.496 10.762 41.162 419 H LYS 147 H LYS 147 56.133 8.147 37.335 420 HA LYS 147 HA LYS 147 55.853 6.721 39.770 421 1HB LYS 147 2HB LYS 147 54.254 6.995 37.669 422 2HB LYS 147 3HB LYS 147 55.024 5.493 37.180 423 1HG LYS 147 2HG LYS 147 54.387 4.590 39.463 424 2HG LYS 147 3HG LYS 147 53.364 6.021 39.624 425 1HD LYS 147 2HD LYS 147 51.891 5.317 38.025 426 2HD LYS 147 3HD LYS 147 53.119 4.408 37.139 427 1HE LYS 147 2HE LYS 147 52.808 2.535 38.370 428 2HE LYS 147 3HE LYS 147 52.487 3.434 39.852 429 1HZ LYS 147 1HZ LYS 147 50.284 4.015 38.827 430 2HZ LYS 147 2HZ LYS 147 50.481 2.391 39.255 431 3HZ LYS 147 3HZ LYS 147 50.609 2.859 37.635 432 H ALA 148 H ALA 148 57.564 6.046 36.749 433 HA ALA 148 HA ALA 148 58.483 3.469 37.665 434 1HB ALA 148 1HB ALA 148 58.026 3.854 35.295 435 2HB ALA 148 2HB ALA 148 59.303 5.070 35.245 436 3HB ALA 148 3HB ALA 148 59.705 3.382 35.558 437 H THR 149 H THR 149 60.006 6.612 36.968 438 HA THR 149 HA THR 149 62.592 5.869 37.825 439 HB THR 149 HB THR 149 61.435 8.661 37.817 440 HG1 THR 149 HG1 THR 149 61.790 8.706 35.686 441 1HG2 THR 149 1HG2 THR 149 63.784 7.954 38.845 442 2HG2 THR 149 2HG2 THR 149 63.573 9.457 37.947 443 3HG2 THR 149 3HG2 THR 149 64.264 8.043 37.152 444 H HIS 150 H HIS 150 59.947 7.571 39.476 445 HA HIS 150 HA HIS 150 61.385 7.181 42.017 446 1HB HIS 150 2HB HIS 150 59.307 9.246 41.268 447 2HB HIS 150 3HB HIS 150 59.967 9.041 42.888 448 HD2 HIS 150 HD2 HIS 150 60.766 11.837 42.211 449 HE1 HIS 150 HE1 HIS 150 64.219 10.437 40.180 450 HA PRO 151 HA PRO 151 57.697 4.365 42.099 451 1HB PRO 151 2HB PRO 151 59.035 2.265 43.180 452 2HB PRO 151 3HB PRO 151 58.969 2.568 41.441 453 1HG PRO 151 2HG PRO 151 61.140 3.222 43.396 454 2HG PRO 151 3HG PRO 151 61.272 2.547 41.761 455 1HD PRO 151 2HD PRO 151 61.713 5.164 42.298 456 2HD PRO 151 3HD PRO 151 61.030 4.608 40.757 457 H ASN 152 H ASN 152 56.568 5.328 43.732 458 HA ASN 152 HA ASN 152 56.713 4.304 46.322 459 1HB ASN 152 2HB ASN 152 58.535 6.486 45.840 460 2HB ASN 152 3HB ASN 152 57.322 6.965 47.024 461 1HD2 ASN 152 1HD2 ASN 152 60.303 5.920 46.870 462 2HD2 ASN 152 2HD2 ASN 152 60.388 4.905 48.265 463 H LYS 153 H LYS 153 55.570 6.124 47.895 464 HA LYS 153 HA LYS 153 53.518 7.593 46.480 465 1HB LYS 153 2HB LYS 153 51.705 6.388 47.823 466 2HB LYS 153 3HB LYS 153 52.379 5.536 46.439 467 1HG LYS 153 2HG LYS 153 53.349 3.941 47.715 468 2HG LYS 153 3HG LYS 153 53.673 5.050 49.050 469 1HD LYS 153 2HD LYS 153 51.569 4.786 49.955 470 2HD LYS 153 3HD LYS 153 50.850 4.317 48.413 471 1HE LYS 153 2HE LYS 153 51.291 2.146 48.745 472 2HE LYS 153 3HE LYS 153 52.916 2.477 49.343 473 1HZ LYS 153 1HZ LYS 153 50.380 2.396 50.846 474 2HZ LYS 153 2HZ LYS 153 51.709 3.249 51.449 475 3HZ LYS 153 3HZ LYS 153 51.830 1.586 51.166 476 H LYS 154 H LYS 154 54.152 9.442 47.513 477 HA LYS 154 HA LYS 154 54.227 11.019 49.150 478 1HB LYS 154 2HB LYS 154 52.150 9.146 50.019 479 2HB LYS 154 3HB LYS 154 52.890 10.029 51.348 480 1HG LYS 154 2HG LYS 154 51.697 11.826 50.865 481 2HG LYS 154 3HG LYS 154 52.329 11.845 49.217 482 1HD LYS 154 2HD LYS 154 50.564 10.547 48.400 483 2HD LYS 154 3HD LYS 154 50.115 9.982 50.011 484 1HE LYS 154 2HE LYS 154 49.948 12.887 49.298 485 2HE LYS 154 3HE LYS 154 48.654 11.775 48.857 486 1HZ LYS 154 1HZ LYS 154 49.640 12.361 51.593 487 2HZ LYS 154 2HZ LYS 154 48.519 11.147 51.231 488 3HZ LYS 154 3HZ LYS 154 48.131 12.769 50.945 489 HA PRO 155 HA PRO 155 53.905 11.934 51.448 490 1HB PRO 155 2HB PRO 155 55.756 13.676 52.401 491 2HB PRO 155 3HB PRO 155 54.923 12.503 53.427 492 1HG PRO 155 2HG PRO 155 57.656 12.355 52.216 493 2HG PRO 155 3HG PRO 155 57.132 11.916 53.853 494 1HD PRO 155 2HD PRO 155 57.529 10.075 51.906 495 2HD PRO 155 3HD PRO 155 56.303 9.875 53.175 496 H PHE 156 H PHE 156 56.755 11.435 49.621 497 HA PHE 156 HA PHE 156 55.882 13.275 47.599 498 1HB PHE 156 2HB PHE 156 57.573 14.337 49.522 499 2HB PHE 156 3HB PHE 156 58.664 13.910 48.208 500 HD1 PHE 156 HD1 PHE 156 57.513 16.660 49.428 501 HD2 PHE 156 HD2 PHE 156 56.895 14.397 45.877 502 HE1 PHE 156 HE1 PHE 156 56.870 18.715 48.236 503 HE2 PHE 156 HE2 PHE 156 56.251 16.448 44.678 504 HZ PHE 156 HZ PHE 156 56.240 18.610 45.858 505 H THR 157 H THR 157 56.172 10.536 47.562 506 HA THR 157 HA THR 157 57.077 8.817 46.374 507 HB THR 157 HB THR 157 57.730 9.237 44.178 508 HG1 THR 157 HG1 THR 157 58.430 11.923 44.606 509 1HG2 THR 157 1HG2 THR 157 56.415 11.877 44.514 510 2HG2 THR 157 2HG2 THR 157 55.529 10.455 45.063 511 3HG2 THR 157 3HG2 THR 157 56.058 10.571 43.386 512 H GLY 158 H GLY 158 58.690 10.236 48.515 513 1HA GLY 158 2HA GLY 158 60.674 9.545 49.533 514 2HA GLY 158 3HA GLY 158 61.137 8.749 48.037 515 H HIS 159 H HIS 159 61.089 10.745 46.207 516 HA HIS 159 HA HIS 159 63.452 12.227 46.915 517 1HB HIS 159 2HB HIS 159 62.070 11.478 44.484 518 2HB HIS 159 3HB HIS 159 62.513 13.182 44.454 519 HD2 HIS 159 HD2 HIS 159 65.458 12.782 45.985 520 HE1 HIS 159 HE1 HIS 159 66.277 10.332 42.620 521 H ARG 160 H ARG 160 63.489 14.622 46.096 522 HA ARG 160 HA ARG 160 61.388 15.998 47.587 523 1HB ARG 160 2HB ARG 160 64.141 16.354 47.417 524 2HB ARG 160 3HB ARG 160 63.481 17.688 46.478 525 1HG ARG 160 2HG ARG 160 62.658 18.729 48.290 526 2HG ARG 160 3HG ARG 160 62.180 17.220 49.070 527 1HD ARG 160 2HD ARG 160 64.630 16.816 49.517 528 2HD ARG 160 3HD ARG 160 64.917 18.471 48.981 529 HE ARG 160 HE ARG 160 64.178 19.190 51.012 530 1HH1 ARG 160 2HH1 ARG 160 62.954 15.978 50.464 531 2HH1 ARG 160 1HH1 ARG 160 62.244 15.838 52.039 532 1HH2 ARG 160 2HH2 ARG 160 63.249 19.019 53.088 533 2HH2 ARG 160 1HH2 ARG 160 62.412 17.570 53.530 534 H LEU 161 H LEU 161 61.376 18.475 46.460 535 HA LEU 161 HA LEU 161 60.989 18.383 43.626 536 1HB LEU 161 2HB LEU 161 58.835 17.562 45.220 537 2HB LEU 161 3HB LEU 161 58.450 19.204 44.705 538 HG LEU 161 HG LEU 161 59.237 18.051 42.357 539 1HD1 LEU 161 1HD1 LEU 161 59.003 15.847 42.345 540 2HD1 LEU 161 2HD1 LEU 161 57.402 15.962 43.074 541 3HD1 LEU 161 3HD1 LEU 161 58.834 15.898 44.100 542 1HD2 LEU 161 1HD2 LEU 161 57.291 19.459 42.660 543 2HD2 LEU 161 2HD2 LEU 161 56.472 18.180 43.558 544 3HD2 LEU 161 3HD2 LEU 161 56.829 17.966 41.844 545 H ILE 162 H ILE 162 59.361 20.514 43.212 546 HA ILE 162 HA ILE 162 60.977 22.714 43.601 547 HB ILE 162 HB ILE 162 57.973 22.706 43.283 548 1HG1 ILE 162 2HG1 ILE 162 59.206 21.518 41.491 549 2HG1 ILE 162 3HG1 ILE 162 58.414 22.977 40.907 550 1HG2 ILE 162 1HG2 ILE 162 60.019 24.893 43.023 551 2HG2 ILE 162 2HG2 ILE 162 58.422 24.990 42.283 552 3HG2 ILE 162 3HG2 ILE 162 58.575 24.861 44.034 553 1HD1 ILE 162 1HD1 ILE 162 60.552 24.162 41.011 554 2HD1 ILE 162 2HD1 ILE 162 61.336 22.681 41.561 555 3HD1 ILE 162 3HD1 ILE 162 60.622 22.756 39.950 556 H GLU 163 H GLU 163 61.559 23.776 45.365 557 HA GLU 163 HA GLU 163 60.621 23.336 47.924 558 1HB GLU 163 2HB GLU 163 62.307 25.349 46.614 559 2HB GLU 163 3HB GLU 163 61.509 25.928 48.069 560 1HG GLU 163 2HG GLU 163 62.561 23.362 48.630 561 2HG GLU 163 3HG GLU 163 63.821 24.301 47.832 562 HA PRO 164 HA PRO 164 57.841 27.269 47.619 563 1HB PRO 164 2HB PRO 164 57.549 28.413 45.174 564 2HB PRO 164 3HB PRO 164 58.836 28.866 46.298 565 1HG PRO 164 2HG PRO 164 58.945 27.031 43.935 566 2HG PRO 164 3HG PRO 164 60.108 28.268 44.446 567 1HD PRO 164 2HD PRO 164 60.474 25.630 44.940 568 2HD PRO 164 3HD PRO 164 61.057 26.897 46.038
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