NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
2634 | 1cb1 | 390 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Orig H atom name Start of MODEL 1 Raw file had 628 H/Q atoms Start of MODEL 1 1 1H SER -2 1H SER 1 1.687 17.869 5.302 2 2H SER -2 2H SER 1 0.921 17.033 4.146 3 3H SER -2 3H SER 1 1.302 18.655 3.889 4 HA SER -2 HA SER 1 -0.232 19.259 5.673 5 1HB SER -2 1HB SER 1 -1.308 18.936 3.457 6 2HB SER -2 2HB SER 1 -1.508 17.202 3.784 7 HG SER -2 HG SER 1 -3.372 18.605 4.239 8 H ALA -1 H ALA 2 -2.391 17.181 6.274 9 HA ALA -1 HA ALA 2 -1.427 16.067 8.702 10 1HB ALA -1 2HB ALA 2 -3.574 14.955 6.819 11 2HB ALA -1 3HB ALA 2 -3.329 14.474 8.511 12 3HB ALA -1 1HB ALA 2 -3.828 16.133 8.125 13 H GLN 0 H GLN 3 -1.690 14.669 5.449 14 HA GLN 0 HA GLN 3 0.455 12.680 5.999 15 1HB GLN 0 1HB GLN 3 -1.425 13.037 3.613 16 2HB GLN 0 2HB GLN 3 -0.176 11.793 3.753 17 1HG GLN 0 1HG GLN 3 -2.588 12.108 5.596 18 2HG GLN 0 2HG GLN 3 -2.429 10.924 4.295 19 1HE2 GLN 0 1HE2 GLN 3 -1.562 9.332 7.612 20 2HE2 GLN 0 2HE2 GLN 3 -2.946 10.279 7.078 21 H LYS 1 H LYS 4 2.416 12.886 4.799 22 HA LYS 1 HA LYS 4 2.918 15.678 3.931 23 1HB LYS 1 1HB LYS 4 4.762 13.456 4.800 24 2HB LYS 1 2HB LYS 4 5.229 15.070 4.246 25 1HG LYS 1 1HG LYS 4 5.330 14.950 6.640 26 2HG LYS 1 2HG LYS 4 4.134 16.140 6.142 27 1HD LYS 1 1HD LYS 4 2.319 14.713 6.843 28 2HD LYS 1 2HD LYS 4 3.385 13.296 6.978 29 1HE LYS 1 1HE LYS 4 4.559 14.436 8.875 30 2HE LYS 1 2HE LYS 4 3.460 15.818 8.696 31 1HZ LYS 1 1HZ LYS 4 1.635 14.283 9.116 32 2HZ LYS 1 2HZ LYS 4 2.712 13.067 9.386 33 3HZ LYS 1 3HZ LYS 4 2.697 14.377 10.385 34 H SER 2 H SER 5 3.204 16.133 1.870 35 HA SER 2 HA SER 5 3.064 14.081 -0.153 36 1HB SER 2 1HB SER 5 3.611 17.033 -0.606 37 2HB SER 2 2HB SER 5 2.684 15.922 -1.622 38 HG SER 2 HG SER 5 1.131 15.850 0.102 39 HA PRO 3 HA PRO 6 7.442 13.617 -0.822 40 1HB PRO 3 1HB PRO 6 7.657 13.498 -3.597 41 2HB PRO 3 2HB PRO 6 7.129 12.158 -2.543 42 1HG PRO 3 1HG PRO 6 5.391 14.088 -4.089 43 2HG PRO 3 2HG PRO 6 5.222 12.317 -3.950 44 1HD PRO 3 1HD PRO 6 3.721 13.982 -2.445 45 2HD PRO 3 2HD PRO 6 4.380 12.485 -1.729 46 H ALA 4 H ALA 7 5.922 15.954 -3.121 47 HA ALA 4 HA ALA 7 8.175 17.566 -3.495 48 1HB ALA 4 1HB ALA 7 6.139 17.718 -4.891 49 2HB ALA 4 2HB ALA 7 5.245 18.399 -3.511 50 3HB ALA 4 3HB ALA 7 6.585 19.307 -4.242 51 H GLU 5 H GLU 8 5.819 17.667 -1.069 52 HA GLU 5 HA GLU 8 6.547 20.110 0.268 53 1HB GLU 5 1HB GLU 8 4.378 18.946 0.609 54 2HB GLU 5 2HB GLU 8 5.213 17.633 1.455 55 1HG GLU 5 1HG GLU 8 5.961 19.279 3.184 56 2HG GLU 5 2HG GLU 8 4.994 20.518 2.367 57 H LEU 6 H LEU 9 7.293 16.670 1.067 58 HA LEU 6 HA LEU 9 9.223 17.340 3.035 59 1HB LEU 6 1HB LEU 9 8.850 14.814 1.389 60 2HB LEU 6 2HB LEU 9 9.991 14.929 2.738 61 HG LEU 6 HG LEU 9 7.005 15.458 3.010 62 1HD1 LEU 6 2HD1 LEU 9 8.618 12.951 3.604 63 2HD1 LEU 6 3HD1 LEU 9 6.930 13.195 4.071 64 3HD1 LEU 6 1HD1 LEU 9 7.356 13.143 2.356 65 1HD2 LEU 6 1HD2 LEU 9 9.216 15.017 5.079 66 2HD2 LEU 6 2HD2 LEU 9 8.299 16.519 4.827 67 3HD2 LEU 6 3HD2 LEU 9 7.485 15.093 5.447 68 H LYS 7 H LYS 10 9.544 16.906 -0.313 69 HA LYS 7 HA LYS 10 12.412 16.929 -0.457 70 1HB LYS 7 1HB LYS 10 10.882 16.292 -2.353 71 2HB LYS 7 2HB LYS 10 10.496 18.010 -2.551 72 1HG LYS 7 1HG LYS 10 12.985 18.435 -2.905 73 2HG LYS 7 2HG LYS 10 13.248 16.702 -2.768 74 1HD LYS 7 1HD LYS 10 13.216 17.277 -5.101 75 2HD LYS 7 2HD LYS 10 11.788 16.304 -4.738 76 1HE LYS 7 1HE LYS 10 11.264 18.178 -6.256 77 2HE LYS 7 2HE LYS 10 10.371 18.343 -4.745 78 1HZ LYS 7 2HZ LYS 10 12.851 19.762 -5.444 79 2HZ LYS 7 3HZ LYS 10 11.333 20.401 -5.445 80 3HZ LYS 7 1HZ LYS 10 12.030 19.938 -4.030 81 H SER 8 H SER 11 9.986 19.578 -0.791 82 HA SER 8 HA SER 11 11.798 21.724 -1.026 83 1HB SER 8 1HB SER 11 9.048 21.730 0.297 84 2HB SER 8 2HB SER 11 9.946 23.142 -0.283 85 HG SER 8 HG SER 11 8.978 20.966 -1.839 86 H ILE 9 H ILE 12 10.250 20.401 1.952 87 HA ILE 9 HA ILE 12 11.571 22.151 3.768 88 HB ILE 9 HB ILE 12 10.479 19.340 4.164 89 1HG1 ILE 9 1HG1 ILE 12 9.283 22.053 4.919 90 2HG1 ILE 9 2HG1 ILE 12 8.875 21.208 3.430 91 1HG2 ILE 9 1HG2 ILE 12 12.121 19.910 5.945 92 2HG2 ILE 9 2HG2 ILE 12 11.265 21.434 6.244 93 3HG2 ILE 9 3HG2 ILE 12 10.486 19.878 6.590 94 1HD1 ILE 9 1HD1 ILE 12 8.094 19.242 4.775 95 2HD1 ILE 9 2HD1 ILE 12 8.313 20.220 6.245 96 3HD1 ILE 9 3HD1 ILE 12 7.159 20.732 5.010 97 H PHE 10 H PHE 13 12.454 18.853 2.655 98 HA PHE 10 HA PHE 13 14.835 18.513 4.079 99 1HB PHE 10 1HB PHE 13 13.834 16.730 2.817 100 2HB PHE 10 2HB PHE 13 14.046 17.585 1.295 101 HD1 PHE 10 HD2 PHE 13 16.324 17.916 0.297 102 HD2 PHE 10 HD1 PHE 13 15.681 15.490 3.812 103 HE1 PHE 10 HE2 PHE 13 18.597 16.972 0.071 104 HE2 PHE 10 HE1 PHE 13 17.843 14.344 3.385 105 HZ PHE 10 HZ PHE 13 19.299 15.103 1.572 106 H GLU 11 H GLU 14 14.414 19.999 0.809 107 HA GLU 11 HA GLU 14 17.137 20.686 0.410 108 1HB GLU 11 1HB GLU 14 14.548 21.959 -0.569 109 2HB GLU 11 2HB GLU 14 16.150 22.480 -1.112 110 1HG GLU 11 1HG GLU 14 16.655 20.322 -2.054 111 2HG GLU 11 2HG GLU 14 15.213 19.587 -1.355 112 H LYS 12 H LYS 15 14.461 22.505 1.959 113 HA LYS 12 HA LYS 15 15.904 24.843 2.536 114 1HB LYS 12 1HB LYS 15 13.297 23.988 3.004 115 2HB LYS 12 2HB LYS 15 13.961 23.920 4.613 116 1HG LYS 12 1HG LYS 15 12.933 26.049 4.285 117 2HG LYS 12 2HG LYS 15 14.673 26.281 4.443 118 1HD LYS 12 1HD LYS 15 13.633 27.728 2.750 119 2HD LYS 12 2HD LYS 15 14.889 26.736 2.036 120 1HE LYS 12 1HE LYS 15 11.942 25.930 1.917 121 2HE LYS 12 2HE LYS 15 12.652 27.072 0.768 122 1HZ LYS 12 1HZ LYS 15 14.260 25.399 0.172 123 2HZ LYS 12 2HZ LYS 15 13.502 24.290 1.125 124 3HZ LYS 12 3HZ LYS 15 12.711 24.946 -0.152 125 OH TYR 13 OH TYR 16 12.854 21.174 10.523 126 H TYR 13 H TYR 16 15.711 21.783 4.341 127 HA TYR 13 HA TYR 16 17.260 22.723 6.617 128 1HB TYR 13 1HB TYR 16 16.386 19.998 5.595 129 2HB TYR 13 2HB TYR 16 17.590 20.169 6.870 130 HD1 TYR 13 HD1 TYR 16 14.427 22.193 6.385 131 HD2 TYR 13 HD2 TYR 16 16.522 19.247 8.799 132 HE1 TYR 13 HE1 TYR 16 12.728 22.364 8.139 133 HE2 TYR 13 HE2 TYR 16 15.088 19.706 10.588 134 HH TYR 13 HH TYR 16 12.120 21.750 10.300 135 H ALA 14 H ALA 17 18.038 20.454 3.943 136 HA ALA 14 HA ALA 17 20.734 20.109 4.530 137 1HB ALA 14 2HB ALA 17 19.305 20.026 1.833 138 2HB ALA 14 3HB ALA 17 20.935 19.389 2.150 139 3HB ALA 14 1HB ALA 17 19.543 18.681 2.986 140 H ALA 15 H ALA 18 19.216 22.746 2.608 141 HA ALA 15 HA ALA 18 21.691 23.839 1.720 142 1HB ALA 15 1HB ALA 18 19.583 24.356 0.689 143 2HB ALA 15 2HB ALA 18 19.014 25.195 2.161 144 3HB ALA 15 3HB ALA 18 20.382 25.850 1.224 145 H LYS 16 H LYS 19 20.530 23.740 4.976 146 HA LYS 16 HA LYS 19 21.743 26.204 5.881 147 1HB LYS 16 1HB LYS 19 21.172 23.603 7.361 148 2HB LYS 16 2HB LYS 19 21.659 25.128 8.102 149 1HG LYS 16 1HG LYS 19 19.609 26.229 7.451 150 2HG LYS 16 2HG LYS 19 19.136 24.886 6.417 151 1HD LYS 16 1HD LYS 19 17.873 24.817 8.513 152 2HD LYS 16 2HD LYS 19 18.878 23.381 8.300 153 1HE LYS 16 1HE LYS 19 18.910 24.198 10.632 154 2HE LYS 16 2HE LYS 19 20.522 24.201 9.914 155 1HZ LYS 16 2HZ LYS 19 18.762 26.541 10.180 156 2HZ LYS 16 3HZ LYS 19 20.068 26.201 11.129 157 3HZ LYS 16 1HZ LYS 19 20.278 26.547 9.532 158 H GLU 17 H GLU 20 22.887 22.915 5.165 159 HA GLU 17 HA GLU 20 25.560 23.522 6.285 160 1HB GLU 17 1HB GLU 20 26.052 21.137 5.878 161 2HB GLU 17 2HB GLU 20 24.797 21.475 7.077 162 1HG GLU 17 1HG GLU 20 23.051 20.949 5.549 163 2HG GLU 17 2HG GLU 20 24.205 20.810 4.191 164 H GLY 18 H GLY 21 27.425 22.762 4.903 165 1HA GLY 18 1HA GLY 21 27.763 24.413 2.730 166 2HA GLY 18 2HA GLY 21 28.698 22.939 3.019 167 H ASP 19 H ASP 22 26.769 20.960 2.605 168 HA ASP 19 HA ASP 22 26.483 21.154 -0.344 169 1HB ASP 19 1HB ASP 22 27.873 19.384 0.690 170 2HB ASP 19 2HB ASP 22 26.404 18.725 1.440 171 HA PRO 20 HA PRO 23 21.967 21.320 0.748 172 1HB PRO 20 1HB PRO 23 20.997 22.246 -1.581 173 2HB PRO 20 2HB PRO 23 21.963 23.277 -0.500 174 1HG PRO 20 1HG PRO 23 22.967 21.748 -2.910 175 2HG PRO 20 2HG PRO 23 23.184 23.488 -2.550 176 1HD PRO 20 1HD PRO 23 25.066 21.628 -1.936 177 2HD PRO 20 2HD PRO 23 24.772 23.020 -0.850 178 H ASN 21 H ASN 24 22.921 18.840 0.617 179 HA ASN 21 HA ASN 24 21.142 17.368 -1.260 180 1HB ASN 21 1HB ASN 24 23.225 17.400 -2.489 181 2HB ASN 21 2HB ASN 24 24.140 17.017 -1.023 182 1HD2 ASN 21 1HD2 ASN 24 22.093 13.937 -2.871 183 2HD2 ASN 21 2HD2 ASN 24 21.588 15.598 -3.167 184 H GLN 22 H GLN 25 22.632 17.597 1.924 185 HA GLN 22 HA GLN 25 21.203 15.107 2.682 186 1HB GLN 22 1HB GLN 25 23.832 16.048 3.884 187 2HB GLN 22 2HB GLN 25 23.043 14.549 4.191 188 1HG GLN 22 1HG GLN 25 24.393 13.523 2.701 189 2HG GLN 22 2HG GLN 25 23.582 14.408 1.398 190 1HE2 GLN 22 1HE2 GLN 25 26.535 15.963 0.455 191 2HE2 GLN 22 2HE2 GLN 25 25.080 15.097 0.013 192 H LEU 23 H LEU 26 20.982 14.983 5.105 193 HA LEU 23 HA LEU 26 21.435 17.595 6.252 194 1HB LEU 23 1HB LEU 26 19.470 16.311 7.919 195 2HB LEU 23 2HB LEU 26 19.428 17.883 7.117 196 HG LEU 23 HG LEU 26 18.415 16.884 5.169 197 1HD1 LEU 23 2HD1 LEU 26 18.279 14.434 7.059 198 2HD1 LEU 23 3HD1 LEU 26 17.278 14.565 5.609 199 3HD1 LEU 23 1HD1 LEU 26 19.038 14.440 5.463 200 1HD2 LEU 23 2HD2 LEU 26 17.087 17.981 6.854 201 2HD2 LEU 23 3HD2 LEU 26 16.207 16.643 6.118 202 3HD2 LEU 23 1HD2 LEU 26 16.897 16.463 7.747 203 H SER 24 H SER 27 22.586 17.628 8.142 204 HA SER 24 HA SER 27 24.033 15.244 8.928 205 1HB SER 24 1HB SER 27 24.838 16.900 10.710 206 2HB SER 24 2HB SER 27 24.977 17.527 9.061 207 HG SER 24 HG SER 27 23.981 19.120 10.181 208 H LYS 25 H LYS 28 23.968 14.613 11.323 209 HA LYS 25 HA LYS 28 21.580 13.525 12.133 210 1HB LYS 25 1HB LYS 28 22.491 13.303 14.344 211 2HB LYS 25 2HB LYS 28 23.499 12.721 13.004 212 1HG LYS 25 1HG LYS 28 24.730 14.989 13.186 213 2HG LYS 25 2HG LYS 28 23.831 15.182 14.706 214 1HD LYS 25 1HD LYS 28 25.825 14.182 15.438 215 2HD LYS 25 2HD LYS 28 24.700 12.813 15.282 216 1HE LYS 25 1HE LYS 28 25.702 12.294 13.030 217 2HE LYS 25 2HE LYS 28 26.807 13.665 13.223 218 1HZ LYS 25 1HZ LYS 28 27.722 12.569 15.133 219 2HZ LYS 25 2HZ LYS 28 26.684 11.299 14.955 220 3HZ LYS 25 3HZ LYS 28 27.820 11.603 13.802 221 H GLU 26 H GLU 29 22.884 16.575 13.303 222 HA GLU 26 HA GLU 29 20.828 17.346 15.054 223 1HB GLU 26 1HB GLU 29 23.091 18.489 14.675 224 2HB GLU 26 2HB GLU 29 22.389 19.224 13.230 225 1HG GLU 26 1HG GLU 29 20.491 19.897 15.126 226 2HG GLU 26 2HG GLU 29 21.932 19.813 16.127 227 H GLU 27 H GLU 30 21.148 18.064 11.533 228 HA GLU 27 HA GLU 30 18.693 19.536 11.351 229 1HB GLU 27 1HB GLU 30 20.400 18.151 9.267 230 2HB GLU 27 2HB GLU 30 19.009 19.202 8.909 231 1HG GLU 27 1HG GLU 30 20.095 21.107 9.967 232 2HG GLU 27 2HG GLU 30 21.451 20.103 10.498 233 H LEU 28 H LEU 31 19.500 16.087 10.672 234 HA LEU 28 HA LEU 31 16.919 15.399 9.707 235 1HB LEU 28 1HB LEU 31 17.812 13.372 9.402 236 2HB LEU 28 2HB LEU 31 19.311 14.166 9.890 237 HG LEU 28 HG LEU 31 18.865 13.349 12.251 238 1HD1 LEU 28 2HD1 LEU 31 16.938 11.487 10.758 239 2HD1 LEU 28 3HD1 LEU 31 17.532 11.251 12.413 240 3HD1 LEU 28 1HD1 LEU 31 16.460 12.592 12.052 241 1HD2 LEU 28 2HD2 LEU 31 20.488 12.415 10.513 242 2HD2 LEU 28 3HD2 LEU 31 19.971 11.389 11.852 243 3HD2 LEU 28 1HD2 LEU 31 19.266 11.162 10.229 244 H LYS 29 H LYS 32 18.314 15.245 12.959 245 HA LYS 29 HA LYS 32 16.113 14.207 14.370 246 1HB LYS 29 1HB LYS 32 18.221 14.535 15.496 247 2HB LYS 29 2HB LYS 32 18.214 16.266 15.159 248 1HG LYS 29 1HG LYS 32 17.661 15.882 17.477 249 2HG LYS 29 2HG LYS 32 16.288 16.620 16.642 250 1HD LYS 29 1HD LYS 32 15.143 14.440 16.515 251 2HD LYS 29 2HD LYS 32 16.584 13.607 17.138 252 1HE LYS 29 1HE LYS 32 16.362 14.791 19.293 253 2HE LYS 29 2HE LYS 32 14.972 15.698 18.674 254 1HZ LYS 29 1HZ LYS 32 13.809 13.628 18.430 255 2HZ LYS 29 2HZ LYS 32 15.102 12.783 19.007 256 3HZ LYS 29 3HZ LYS 32 14.301 13.838 19.989 257 H GLN 30 H GLN 33 16.903 17.664 13.675 258 HA GLN 30 HA GLN 33 14.548 18.690 14.793 259 1HB GLN 30 1HB GLN 33 16.371 19.715 12.585 260 2HB GLN 30 2HB GLN 33 14.953 20.645 13.109 261 1HG GLN 30 1HG GLN 33 15.739 20.828 15.344 262 2HG GLN 30 2HG GLN 33 16.974 19.586 15.099 263 1HE2 GLN 30 1HE2 GLN 33 19.341 21.671 13.445 264 2HE2 GLN 30 2HE2 GLN 33 18.695 20.034 13.573 265 H LEU 31 H LEU 34 15.180 17.631 11.380 266 HA LEU 31 HA LEU 34 12.636 18.193 10.434 267 1HB LEU 31 1HB LEU 34 14.534 17.434 8.989 268 2HB LEU 31 2HB LEU 34 14.327 15.803 9.620 269 HG LEU 31 HG LEU 34 12.089 15.628 8.656 270 1HD1 LEU 31 2HD1 LEU 34 12.580 18.489 7.723 271 2HD1 LEU 31 3HD1 LEU 34 11.318 17.432 7.049 272 3HD1 LEU 31 1HD1 LEU 34 11.241 17.921 8.741 273 1HD2 LEU 31 2HD2 LEU 34 14.138 15.111 7.286 274 2HD2 LEU 31 3HD2 LEU 34 12.706 15.569 6.334 275 3HD2 LEU 31 1HD2 LEU 34 14.009 16.744 6.586 276 H ILE 32 H ILE 35 13.680 15.336 12.002 277 HA ILE 32 HA ILE 35 11.200 13.916 11.940 278 HB ILE 32 HB ILE 35 13.402 13.739 14.020 279 1HG1 ILE 32 1HG1 ILE 35 13.988 13.011 11.682 280 2HG1 ILE 32 2HG1 ILE 35 14.161 11.784 12.935 281 1HG2 ILE 32 2HG2 ILE 35 10.897 12.049 13.736 282 2HG2 ILE 32 3HG2 ILE 35 12.339 11.531 14.630 283 3HG2 ILE 32 1HG2 ILE 35 11.446 12.963 15.151 284 1HD1 ILE 32 2HD1 ILE 35 11.836 11.974 10.970 285 2HD1 ILE 32 3HD1 ILE 35 13.208 10.864 10.880 286 3HD1 ILE 32 1HD1 ILE 35 12.064 10.711 12.211 287 H GLN 33 H GLN 36 12.450 16.034 14.311 288 HA GLN 33 HA GLN 36 10.228 16.082 16.090 289 1HB GLN 33 1HB GLN 36 12.149 18.360 15.488 290 2HB GLN 33 2HB GLN 36 10.913 18.393 16.740 291 1HG GLN 33 1HG GLN 36 11.934 16.473 17.876 292 2HG GLN 33 2HG GLN 36 13.157 16.341 16.607 293 1HE2 GLN 33 1HE2 GLN 36 13.357 19.526 19.245 294 2HE2 GLN 33 2HE2 GLN 36 11.805 18.764 18.941 295 H ALA 34 H ALA 37 10.851 18.073 13.183 296 HA ALA 34 HA ALA 37 8.476 19.645 13.385 297 1HB ALA 34 1HB ALA 37 10.454 20.300 12.073 298 2HB ALA 34 2HB ALA 37 10.139 18.984 10.923 299 3HB ALA 34 3HB ALA 37 8.974 20.310 11.089 300 H GLU 35 H GLU 38 9.140 16.635 11.499 301 HA GLU 35 HA GLU 38 6.472 16.683 10.331 302 1HB GLU 35 1HB GLU 38 8.483 14.402 10.409 303 2HB GLU 35 2HB GLU 38 7.051 14.518 9.384 304 1HG GLU 35 1HG GLU 38 9.555 16.235 9.232 305 2HG GLU 35 2HG GLU 38 8.977 15.073 8.046 306 H PHE 36 H PHE 39 7.911 14.908 13.093 307 HA PHE 36 HA PHE 39 5.329 14.477 14.216 308 1HB PHE 36 1HB PHE 39 5.555 11.941 14.293 309 2HB PHE 36 2HB PHE 39 4.778 12.780 12.958 310 HD1 PHE 36 HD1 PHE 39 8.509 12.564 12.923 311 HD2 PHE 36 HD2 PHE 39 4.789 10.712 11.731 312 HE1 PHE 36 HE1 PHE 39 9.744 10.899 11.596 313 HE2 PHE 36 HE2 PHE 39 6.044 9.048 10.418 314 HZ PHE 36 HZ PHE 39 8.530 9.097 10.389 315 HA PRO 37 HA PRO 40 8.796 14.824 17.066 316 1HB PRO 37 1HB PRO 40 7.540 16.041 19.198 317 2HB PRO 37 2HB PRO 40 8.062 16.867 17.708 318 1HG PRO 37 1HG PRO 40 5.318 15.773 18.329 319 2HG PRO 37 2HG PRO 40 5.736 17.396 17.698 320 1HD PRO 37 1HD PRO 40 4.933 15.406 16.070 321 2HD PRO 37 2HD PRO 40 6.258 16.485 15.525 322 H SER 38 H SER 41 8.654 12.459 16.929 323 HA SER 38 HA SER 41 8.826 10.455 17.864 324 1HB SER 38 1HB SER 41 10.047 11.966 19.585 325 2HB SER 38 2HB SER 41 8.654 11.636 20.638 326 HG SER 38 HG SER 41 10.302 10.081 20.925 327 H LEU 39 H LEU 42 5.998 11.739 17.606 328 HA LEU 39 HA LEU 42 4.446 10.145 19.528 329 1HB LEU 39 1HB LEU 42 2.482 11.050 18.329 330 2HB LEU 39 2HB LEU 42 3.579 12.237 19.022 331 HG LEU 39 HG LEU 42 4.524 12.700 16.739 332 1HD1 LEU 39 2HD1 LEU 42 2.224 10.908 15.831 333 2HD1 LEU 39 3HD1 LEU 42 3.095 12.037 14.783 334 3HD1 LEU 39 1HD1 LEU 42 3.955 10.667 15.488 335 1HD2 LEU 39 2HD2 LEU 42 2.803 14.105 17.775 336 2HD2 LEU 39 3HD2 LEU 42 2.586 14.014 16.020 337 3HD2 LEU 39 1HD2 LEU 42 1.531 13.069 17.091 338 H LEU 40 H LEU 43 6.282 8.616 18.023 339 HA LEU 40 HA LEU 43 4.932 7.280 15.822 340 1HB LEU 40 1HB LEU 43 7.522 6.654 17.276 341 2HB LEU 40 2HB LEU 43 6.987 6.006 15.717 342 HG LEU 40 HG LEU 43 7.642 8.934 16.304 343 1HD1 LEU 40 1HD1 LEU 43 9.620 7.437 16.338 344 2HD1 LEU 40 2HD1 LEU 43 9.190 6.850 14.719 345 3HD1 LEU 40 3HD1 LEU 43 9.645 8.548 14.958 346 1HD2 LEU 40 1HD2 LEU 43 6.931 7.539 13.687 347 2HD2 LEU 40 2HD2 LEU 43 5.982 8.804 14.503 348 3HD2 LEU 40 3HD2 LEU 43 7.568 9.189 13.832 349 H LYS 41 H LYS 44 3.067 6.865 17.356 350 HA LYS 41 HA LYS 44 3.335 4.747 19.334 351 1HB LYS 41 1HB LYS 44 0.821 5.762 17.959 352 2HB LYS 41 2HB LYS 44 0.922 4.843 19.464 353 1HG LYS 41 1HG LYS 44 1.827 7.715 18.978 354 2HG LYS 41 2HG LYS 44 0.471 7.144 19.947 355 1HD LYS 41 1HD LYS 44 2.115 5.995 21.494 356 2HD LYS 41 2HD LYS 44 3.437 6.690 20.538 357 1HE LYS 41 1HE LYS 44 3.108 8.071 22.482 358 2HE LYS 41 2HE LYS 44 2.606 8.985 21.052 359 1HZ LYS 41 2HZ LYS 44 0.812 7.565 22.901 360 2HZ LYS 41 3HZ LYS 44 1.068 9.192 22.869 361 3HZ LYS 41 1HZ LYS 44 0.338 8.450 21.594 362 H GLY 42 H GLY 45 4.646 3.471 17.727 363 1HA GLY 42 1HA GLY 45 3.671 1.027 17.177 364 2HA GLY 42 2HA GLY 45 3.192 1.886 15.706 365 HA PRO 43 HA PRO 46 7.442 1.406 14.336 366 1HB PRO 43 1HB PRO 46 7.767 3.403 12.532 367 2HB PRO 43 2HB PRO 46 6.531 2.138 12.300 368 1HG PRO 43 1HG PRO 46 6.112 4.900 13.490 369 2HG PRO 43 2HG PRO 46 5.195 4.136 12.159 370 1HD PRO 43 1HD PRO 46 4.332 4.061 14.756 371 2HD PRO 43 2HD PRO 46 4.073 2.688 13.641 372 NH1 ARG 44 NH2 ARG 47 7.745 7.185 20.608 373 NH2 ARG 44 NH1 ARG 47 9.598 7.398 19.239 374 H ARG 44 H ARG 47 7.684 2.063 16.782 375 HA ARG 44 HA ARG 47 8.322 4.509 17.742 376 1HB ARG 44 1HB ARG 47 8.950 1.700 18.500 377 2HB ARG 44 2HB ARG 47 9.985 2.892 19.274 378 1HG ARG 44 1HG ARG 47 6.985 3.308 19.232 379 2HG ARG 44 2HG ARG 47 7.714 2.214 20.405 380 1HD ARG 44 1HD ARG 47 7.346 4.639 21.154 381 2HD ARG 44 2HD ARG 47 8.903 3.889 21.503 382 HE ARG 44 HE ARG 47 9.825 5.007 19.473 383 1HH1 ARG 44 1HH2 ARG 47 7.129 6.621 21.169 384 2HH1 ARG 44 2HH2 ARG 47 7.528 8.171 20.463 385 1HH2 ARG 44 1HH1 ARG 47 10.305 6.947 18.668 386 2HH2 ARG 44 2HH1 ARG 47 9.573 8.414 19.333 387 H THR 45 H THR 48 10.501 2.825 15.571 388 HA THR 45 HA THR 48 12.982 3.693 16.303 389 HB THR 45 HB THR 48 11.667 3.284 13.617 No match found for entry HG1THR 45 390 1HG2 THR 45 2HG2 THR 48 14.464 4.308 14.284 391 2HG2 THR 45 3HG2 THR 48 14.144 3.155 12.921 392 3HG2 THR 45 1HG2 THR 48 13.356 4.714 12.991 393 H LEU 46 H LEU 49 13.383 5.691 17.022 394 HA LEU 46 HA LEU 49 12.745 8.044 15.306 395 1HB LEU 46 1HB LEU 49 12.645 7.947 17.918 396 2HB LEU 46 2HB LEU 49 14.400 8.134 17.844 397 HG LEU 46 HG LEU 49 12.313 10.004 16.604 398 1HD1 LEU 46 1HD1 LEU 49 12.320 9.960 19.090 399 2HD1 LEU 46 2HD1 LEU 49 14.044 10.386 19.078 400 3HD1 LEU 46 3HD1 LEU 49 12.834 11.520 18.431 401 1HD2 LEU 46 1HD2 LEU 49 15.349 10.273 16.825 402 2HD2 LEU 46 2HD2 LEU 49 14.370 10.271 15.339 403 3HD2 LEU 46 3HD2 LEU 49 14.256 11.623 16.459 404 H ASP 47 H ASP 50 15.434 6.096 16.663 405 HA ASP 47 HA ASP 50 17.230 7.276 14.686 406 1HB ASP 47 1HB ASP 50 18.002 7.708 16.969 407 2HB ASP 47 2HB ASP 50 17.699 6.033 17.443 408 H ASP 48 H ASP 51 16.213 4.025 15.465 409 HA ASP 48 HA ASP 51 18.262 2.657 14.149 410 1HB ASP 48 1HB ASP 51 16.780 1.220 15.067 411 2HB ASP 48 2HB ASP 51 15.363 2.166 14.668 412 H LEU 49 H LEU 52 15.569 4.449 12.625 413 HA LEU 49 HA LEU 52 16.260 3.716 9.951 414 1HB LEU 49 1HB LEU 52 14.623 5.252 9.216 415 2HB LEU 49 2HB LEU 52 14.036 4.333 10.592 416 HG LEU 49 HG LEU 52 14.507 6.403 12.050 417 1HD1 LEU 49 2HD1 LEU 52 15.024 7.564 9.303 418 2HD1 LEU 49 3HD1 LEU 52 14.252 8.550 10.563 419 3HD1 LEU 49 1HD1 LEU 52 15.857 7.916 10.831 420 1HD2 LEU 49 2HD2 LEU 52 12.242 5.675 11.227 421 2HD2 LEU 49 3HD2 LEU 52 12.386 7.429 11.363 422 3HD2 LEU 49 1HD2 LEU 52 12.493 6.651 9.768 423 H PHE 50 H PHE 53 17.342 6.276 12.127 424 HA PHE 50 HA PHE 53 18.606 7.869 10.075 425 1HB PHE 50 1HB PHE 53 18.298 8.971 12.166 426 2HB PHE 50 2HB PHE 53 18.965 7.634 13.075 427 HD1 PHE 50 HD2 PHE 53 20.742 9.010 10.080 428 HD2 PHE 50 HD1 PHE 53 20.400 9.065 14.380 429 HE1 PHE 50 HE2 PHE 53 22.981 9.996 10.255 430 HE2 PHE 50 HE1 PHE 53 22.717 9.908 14.550 431 HZ PHE 50 HZ PHE 53 24.045 10.315 12.483 432 H GLN 51 H GLN 54 19.805 5.445 12.460 433 HA GLN 51 HA GLN 54 22.375 5.321 11.340 434 1HB GLN 51 1HB GLN 54 20.826 3.212 12.912 435 2HB GLN 51 2HB GLN 54 22.556 3.091 12.542 436 1HG GLN 51 1HG GLN 54 21.273 5.362 14.142 437 2HG GLN 51 2HG GLN 54 22.159 3.993 14.813 438 1HE2 GLN 51 1HE2 GLN 54 24.243 7.106 13.134 439 2HE2 GLN 51 2HE2 GLN 54 22.491 7.086 13.072 440 H GLU 52 H GLU 55 19.602 3.239 10.457 441 HA GLU 52 HA GLU 55 20.972 1.665 8.563 442 1HB GLU 52 1HB GLU 55 18.132 2.751 8.608 443 2HB GLU 52 2HB GLU 55 18.701 1.598 7.393 444 1HG GLU 52 1HG GLU 55 19.226 -0.069 9.059 445 2HG GLU 52 2HG GLU 55 18.864 1.028 10.387 446 H LEU 53 H LEU 56 20.216 5.096 8.357 447 HA LEU 53 HA LEU 56 21.038 5.210 5.474 448 1HB LEU 53 1HB LEU 56 19.196 6.994 7.085 449 2HB LEU 53 2HB LEU 56 19.524 7.112 5.362 450 HG LEU 53 HG LEU 56 18.092 4.778 6.685 451 1HD1 LEU 53 1HD1 LEU 56 16.815 6.887 6.772 452 2HD1 LEU 53 2HD1 LEU 56 16.998 7.074 5.015 453 3HD1 LEU 53 3HD1 LEU 56 16.073 5.708 5.681 454 1HD2 LEU 53 2HD2 LEU 56 19.261 4.104 4.591 455 2HD2 LEU 53 3HD2 LEU 56 17.504 4.071 4.438 456 3HD2 LEU 53 1HD2 LEU 56 18.421 5.408 3.724 457 H ASP 54 H ASP 57 22.503 5.556 8.340 458 HA ASP 54 HA ASP 57 23.257 8.348 8.357 459 1HB ASP 54 1HB ASP 57 23.108 7.036 10.350 460 2HB ASP 54 2HB ASP 57 24.405 5.944 9.816 461 H LYS 55 H LYS 58 23.834 8.320 5.972 462 HA LYS 55 HA LYS 58 26.662 7.553 5.447 463 1HB LYS 55 1HB LYS 58 24.454 8.951 3.921 464 2HB LYS 55 2HB LYS 58 26.126 9.203 3.438 465 1HG LYS 55 1HG LYS 58 25.160 7.448 2.140 466 2HG LYS 55 2HG LYS 58 26.507 6.836 3.086 467 1HD LYS 55 1HD LYS 58 23.704 6.565 4.199 468 2HD LYS 55 2HD LYS 58 24.155 5.548 2.828 469 1HE LYS 55 1HE LYS 58 25.649 5.556 5.484 470 2HE LYS 55 2HE LYS 58 24.434 4.388 4.974 471 1HZ LYS 55 1HZ LYS 58 25.835 3.817 3.127 472 2HZ LYS 55 2HZ LYS 58 26.988 4.886 3.622 473 3HZ LYS 55 3HZ LYS 58 26.611 3.591 4.562 474 H ASN 56 H ASN 59 28.017 9.628 4.564 475 HA ASN 56 HA ASN 59 27.640 12.021 6.179 476 1HB ASN 56 1HB ASN 59 28.564 10.647 7.941 477 2HB ASN 56 2HB ASN 59 29.838 10.045 6.873 478 1HD2 ASN 56 1HD2 ASN 59 30.202 13.994 8.079 479 2HD2 ASN 56 2HD2 ASN 59 28.595 13.419 7.706 480 H GLY 57 H GLY 60 27.562 12.750 3.975 481 1HA GLY 57 1HA GLY 60 30.067 12.730 2.392 482 2HA GLY 57 2HA GLY 60 28.530 13.509 1.971 483 H ASP 58 H ASP 61 27.845 15.262 3.477 484 HA ASP 58 HA ASP 61 30.058 17.012 4.463 485 1HB ASP 58 1HB ASP 61 29.074 17.944 2.412 486 2HB ASP 58 2HB ASP 61 27.447 17.733 3.085 487 H GLY 59 H GLY 62 26.489 16.233 4.675 488 1HA GLY 59 1HA GLY 62 26.544 16.936 7.559 489 2HA GLY 59 2HA GLY 62 25.126 16.732 6.510 490 H GLU 60 H GLU 63 24.108 14.876 6.561 491 HA GLU 60 HA GLU 63 25.569 12.494 7.323 492 1HB GLU 60 1HB GLU 63 23.294 13.267 8.995 493 2HB GLU 60 2HB GLU 63 23.535 11.597 8.540 494 1HG GLU 60 1HG GLU 63 24.576 11.905 10.617 495 2HG GLU 60 2HG GLU 63 25.693 11.390 9.360 496 H VAL 61 H VAL 64 22.219 12.710 7.056 497 HA VAL 61 HA VAL 64 22.120 10.471 5.185 498 HB VAL 61 HB VAL 64 19.725 11.963 6.320 499 1HG1 VAL 61 2HG1 VAL 64 20.216 9.138 5.332 500 2HG1 VAL 61 3HG1 VAL 64 18.715 9.658 6.105 501 3HG1 VAL 61 1HG1 VAL 64 19.198 10.353 4.537 502 1HG2 VAL 61 1HG2 VAL 64 21.398 9.756 7.591 503 2HG2 VAL 61 2HG2 VAL 64 21.058 11.370 8.256 504 3HG2 VAL 61 3HG2 VAL 64 19.756 10.190 8.104 505 H SER 62 H SER 65 22.189 10.695 3.057 506 HA SER 62 HA SER 65 21.923 13.226 1.720 507 1HB SER 62 1HB SER 65 22.553 11.885 -0.237 508 2HB SER 62 2HB SER 65 23.530 11.352 1.141 509 HG SER 62 HG SER 65 22.689 9.452 0.446 510 H PHE 63 H PHE 66 20.517 13.582 -0.207 511 HA PHE 63 HA PHE 66 17.779 13.133 0.350 512 1HB PHE 63 1HB PHE 66 18.618 14.850 -1.225 513 2HB PHE 63 2HB PHE 66 19.042 13.586 -2.372 514 HD1 PHE 63 HD1 PHE 66 16.125 14.839 -0.334 515 HD2 PHE 63 HD2 PHE 66 17.392 12.864 -3.956 516 HE1 PHE 63 HE1 PHE 66 13.768 14.654 -1.062 517 HE2 PHE 63 HE2 PHE 66 15.034 12.709 -4.688 518 HZ PHE 63 HZ PHE 66 13.215 13.589 -3.243 519 H GLU 64 H GLU 67 20.106 11.375 -1.628 520 HA GLU 64 HA GLU 67 18.581 9.409 -2.859 521 1HB GLU 64 1HB GLU 67 21.352 8.970 -1.668 522 2HB GLU 64 2HB GLU 67 20.557 8.063 -2.948 523 1HG GLU 64 1HG GLU 67 21.931 9.432 -4.184 524 2HG GLU 64 2HG GLU 67 20.452 10.397 -4.198 525 H GLU 65 H GLU 68 20.218 9.122 0.349 526 HA GLU 65 HA GLU 68 18.863 6.621 0.936 527 1HB GLU 65 1HB GLU 68 20.704 8.480 2.502 528 2HB GLU 65 2HB GLU 68 19.856 7.149 3.268 529 1HG GLU 65 1HG GLU 68 22.009 6.377 2.633 530 2HG GLU 65 2HG GLU 68 20.795 5.520 1.695 531 H PHE 66 H PHE 69 18.410 9.951 2.015 532 HA PHE 66 HA PHE 69 16.482 9.789 3.956 533 1HB PHE 66 1HB PHE 69 17.489 11.882 3.343 534 2HB PHE 66 2HB PHE 69 16.854 11.744 1.704 535 HD1 PHE 66 HD1 PHE 69 15.551 11.902 5.227 536 HD2 PHE 66 HD2 PHE 69 15.021 13.033 1.101 537 HE1 PHE 66 HE1 PHE 69 13.570 13.260 5.846 538 HE2 PHE 66 HE2 PHE 69 13.136 14.503 1.746 539 HZ PHE 66 HZ PHE 69 12.397 14.617 4.114 540 H GLN 67 H GLN 70 15.902 9.482 0.415 541 HA GLN 67 HA GLN 70 13.113 9.642 0.469 542 1HB GLN 67 1HB GLN 70 15.022 8.092 -1.261 543 2HB GLN 67 2HB GLN 70 13.269 7.988 -1.519 544 1HG GLN 67 1HG GLN 70 13.024 10.283 -1.977 545 2HG GLN 67 2HG GLN 70 14.565 10.721 -1.238 546 1HE2 GLN 67 1HE2 GLN 70 16.575 9.924 -4.047 547 2HE2 GLN 67 2HE2 GLN 70 16.544 10.102 -2.286 548 H VAL 68 H VAL 71 15.127 6.907 1.597 549 HA VAL 68 HA VAL 71 12.938 5.041 1.877 550 HB VAL 68 HB VAL 71 15.604 5.223 3.346 551 1HG1 VAL 68 2HG1 VAL 71 13.633 2.912 3.068 552 2HG1 VAL 68 3HG1 VAL 71 15.272 2.781 3.735 553 3HG1 VAL 68 1HG1 VAL 71 14.063 3.758 4.571 554 1HG2 VAL 68 1HG2 VAL 71 14.790 3.642 0.865 555 2HG2 VAL 68 2HG2 VAL 71 15.918 5.013 0.896 556 3HG2 VAL 68 3HG2 VAL 71 16.344 3.507 1.711 557 H LEU 69 H LEU 72 14.279 7.620 3.914 558 HA LEU 69 HA LEU 72 12.794 7.017 6.295 559 1HB LEU 69 1HB LEU 72 14.870 8.429 6.067 560 2HB LEU 69 2HB LEU 72 13.911 9.731 5.364 561 HG LEU 69 HG LEU 72 13.299 8.541 8.035 562 1HD1 LEU 69 1HD1 LEU 72 15.649 9.471 7.986 563 2HD1 LEU 69 2HD1 LEU 72 15.000 11.007 7.384 564 3HD1 LEU 69 3HD1 LEU 72 14.595 10.452 9.014 565 1HD2 LEU 69 1HD2 LEU 72 12.473 11.134 6.692 566 2HD2 LEU 69 2HD2 LEU 72 11.432 9.822 7.295 567 3HD2 LEU 69 3HD2 LEU 72 12.305 10.839 8.435 568 H VAL 70 H VAL 73 12.469 9.436 3.781 569 HA VAL 70 HA VAL 73 10.059 10.676 4.193 570 HB VAL 70 HB VAL 73 11.249 9.696 1.592 571 1HG1 VAL 70 2HG1 VAL 73 8.792 11.417 1.905 572 2HG1 VAL 70 3HG1 VAL 73 9.778 11.354 0.433 573 3HG1 VAL 70 1HG1 VAL 73 8.948 9.904 0.997 574 1HG2 VAL 70 2HG2 VAL 73 12.474 11.422 2.888 575 2HG2 VAL 70 3HG2 VAL 73 11.896 12.025 1.325 576 3HG2 VAL 70 1HG2 VAL 73 11.036 12.464 2.818 577 H LYS 71 H LYS 74 10.377 7.540 2.446 578 HA LYS 71 HA LYS 74 7.717 7.037 1.883 579 1HB LYS 71 1HB LYS 74 9.825 5.039 2.801 580 2HB LYS 71 2HB LYS 74 8.295 4.627 2.022 581 1HG LYS 71 1HG LYS 74 9.589 6.608 0.370 582 2HG LYS 71 2HG LYS 74 10.800 5.409 0.851 583 1HD LYS 71 1HD LYS 74 9.367 3.580 0.016 584 2HD LYS 71 2HD LYS 74 8.108 4.752 -0.414 585 1HE LYS 71 1HE LYS 74 9.403 4.122 -2.402 586 2HE LYS 71 2HE LYS 74 9.635 5.838 -2.034 587 1HZ LYS 71 2HZ LYS 74 11.496 3.678 -1.320 588 2HZ LYS 71 3HZ LYS 74 11.681 4.727 -2.576 589 3HZ LYS 71 1HZ LYS 74 11.721 5.284 -1.028 590 H LYS 72 H LYS 75 9.264 6.691 5.097 591 HA LYS 72 HA LYS 75 6.853 5.420 6.226 592 1HB LYS 72 1HB LYS 75 9.543 6.186 7.385 593 2HB LYS 72 2HB LYS 75 8.295 5.263 8.234 594 1HG LYS 72 1HG LYS 75 8.575 3.351 6.893 595 2HG LYS 72 2HG LYS 75 9.277 4.242 5.543 596 1HD LYS 72 1HD LYS 75 11.021 2.987 6.562 597 2HD LYS 72 2HD LYS 75 11.302 4.722 6.784 598 1HE LYS 72 1HE LYS 75 10.510 4.573 9.128 599 2HE LYS 72 2HE LYS 75 10.042 2.878 8.890 600 1HZ LYS 72 2HZ LYS 75 12.776 3.927 8.737 601 2HZ LYS 72 3HZ LYS 75 12.133 3.081 9.998 602 3HZ LYS 72 1HZ LYS 75 12.335 2.352 8.535 603 H ILE 73 H ILE 76 7.836 8.692 5.705 604 HA ILE 73 HA ILE 76 7.065 9.816 8.222 605 HB ILE 73 HB ILE 76 6.987 11.018 5.434 606 1HG1 ILE 73 1HG1 ILE 76 9.261 10.386 6.274 607 2HG1 ILE 73 2HG1 ILE 76 9.023 12.104 5.928 608 1HG2 ILE 73 2HG2 ILE 76 6.484 12.272 8.154 609 2HG2 ILE 73 3HG2 ILE 76 6.980 13.213 6.730 610 3HG2 ILE 73 1HG2 ILE 76 5.465 12.307 6.712 611 1HD1 ILE 73 1HD1 ILE 76 8.704 12.484 8.427 612 2HD1 ILE 73 2HD1 ILE 76 9.193 10.785 8.650 613 3HD1 ILE 73 3HD1 ILE 76 10.298 11.959 7.912 614 H SER 74 H SER 77 5.226 9.683 5.147 615 HA SER 74 HA SER 77 2.700 10.213 6.484 616 1HB SER 74 1HB SER 77 3.393 9.335 3.637 617 2HB SER 74 2HB SER 77 1.791 9.889 4.166 618 HG SER 74 HG SER 77 3.355 11.564 3.267 619 H GLN 75 H GLN 78 1.078 8.764 6.995 620 HA GLN 75 HA GLN 78 1.182 5.969 6.386 621 1HB GLN 75 1HB GLN 78 1.650 5.203 8.748 622 2HB GLN 75 2HB GLN 78 3.046 5.766 7.823 623 1HG GLN 75 1HG GLN 78 2.869 7.993 8.893 624 2HG GLN 75 2HG GLN 78 1.482 7.420 9.820 625 1HE2 GLN 75 1HE2 GLN 78 5.303 6.219 10.863 626 2HE2 GLN 75 2HE2 GLN 78 5.041 6.909 9.275 No H/Q in entry = 627 Start of MODEL 2 Raw file had 628 H/Q atoms Start of MODEL 2 1 1H SER -2 2H SER 1 -0.775 17.457 -3.323 2 2H SER -2 3H SER 1 -1.252 16.072 -4.086 3 3H SER -2 1H SER 1 0.009 17.061 -4.679 4 HA SER -2 HA SER 1 -1.990 17.325 -5.978 5 1HB SER -2 1HB SER 1 -3.329 18.094 -3.351 6 2HB SER -2 2HB SER 1 -4.106 17.726 -4.915 7 HG SER -2 HG SER 1 -4.100 15.895 -3.484 8 H ALA -1 H ALA 2 -3.324 19.699 -6.000 9 HA ALA -1 HA ALA 2 -1.459 21.676 -6.510 10 1HB ALA -1 2HB ALA 2 -4.313 22.030 -5.476 11 2HB ALA -1 3HB ALA 2 -3.338 23.273 -6.288 12 3HB ALA -1 1HB ALA 2 -3.828 21.816 -7.173 13 H GLN 0 H GLN 3 -3.244 21.099 -3.482 14 HA GLN 0 HA GLN 3 -1.362 22.815 -1.938 15 1HB GLN 0 1HB GLN 3 -4.014 21.489 -1.209 16 2HB GLN 0 2HB GLN 3 -3.004 22.455 -0.117 17 1HG GLN 0 1HG GLN 3 -3.237 24.414 -1.628 18 2HG GLN 0 2HG GLN 3 -4.282 23.463 -2.702 19 1HE2 GLN 0 1HE2 GLN 3 -6.609 25.401 -0.633 20 2HE2 GLN 0 2HE2 GLN 3 -5.470 25.694 -1.936 21 H LYS 1 H LYS 4 0.275 21.751 -1.007 22 HA LYS 1 HA LYS 4 1.686 20.271 -0.227 23 1HB LYS 1 1HB LYS 4 -0.882 19.029 0.704 24 2HB LYS 1 2HB LYS 4 0.688 18.257 0.989 25 1HG LYS 1 1HG LYS 4 0.066 19.515 2.933 26 2HG LYS 1 2HG LYS 4 1.501 20.223 2.190 27 1HD LYS 1 1HD LYS 4 0.140 22.063 1.254 28 2HD LYS 1 2HD LYS 4 -1.349 21.266 1.808 29 1HE LYS 1 1HE LYS 4 -0.778 23.074 3.327 30 2HE LYS 1 2HE LYS 4 -0.563 21.535 4.173 31 1HZ LYS 1 2HZ LYS 4 1.573 23.137 2.937 32 2HZ LYS 1 3HZ LYS 4 1.251 23.040 4.551 33 3HZ LYS 1 1HZ LYS 4 1.798 21.719 3.733 34 H SER 2 H SER 5 3.035 18.981 -1.204 35 HA SER 2 HA SER 5 2.338 16.513 -2.515 36 1HB SER 2 1HB SER 5 3.283 18.944 -4.129 37 2HB SER 2 2HB SER 5 3.476 17.287 -4.702 38 HG SER 2 HG SER 5 1.136 18.766 -4.370 39 HA PRO 3 HA PRO 6 6.383 15.445 -1.108 40 1HB PRO 3 1HB PRO 6 7.122 14.932 -4.005 41 2HB PRO 3 2HB PRO 6 7.552 13.965 -2.562 42 1HG PRO 3 1HG PRO 6 5.452 13.189 -4.069 43 2HG PRO 3 2HG PRO 6 5.258 13.256 -2.292 44 1HD PRO 3 1HD PRO 6 4.364 15.268 -4.350 45 2HD PRO 3 2HD PRO 6 3.478 14.639 -2.929 46 H ALA 4 H ALA 7 6.390 17.581 -3.978 47 HA ALA 4 HA ALA 7 8.943 18.604 -3.836 48 1HB ALA 4 1HB ALA 7 7.337 19.116 -5.654 49 2HB ALA 4 2HB ALA 7 6.387 20.112 -4.524 50 3HB ALA 4 3HB ALA 7 8.031 20.604 -4.981 51 H GLU 5 H GLU 8 6.322 19.297 -1.798 52 HA GLU 5 HA GLU 8 7.367 21.672 -0.511 53 1HB GLU 5 1HB GLU 8 4.968 20.936 -0.486 54 2HB GLU 5 2HB GLU 8 5.401 19.624 0.627 55 1HG GLU 5 1HG GLU 8 6.171 21.294 2.292 56 2HG GLU 5 2HG GLU 8 5.799 22.605 1.160 57 H LEU 6 H LEU 9 7.307 18.205 0.382 58 HA LEU 6 HA LEU 9 8.942 18.449 2.688 59 1HB LEU 6 1HB LEU 9 8.634 16.033 0.863 60 2HB LEU 6 2HB LEU 9 9.247 16.013 2.518 61 HG LEU 6 HG LEU 9 6.397 16.738 1.679 62 1HD1 LEU 6 1HD1 LEU 9 6.952 14.345 1.424 63 2HD1 LEU 6 2HD1 LEU 9 7.518 14.290 3.108 64 3HD1 LEU 6 3HD1 LEU 9 5.807 14.607 2.751 65 1HD2 LEU 6 1HD2 LEU 9 7.670 16.513 4.448 66 2HD2 LEU 6 2HD2 LEU 9 6.972 17.977 3.718 67 3HD2 LEU 6 3HD2 LEU 9 5.926 16.620 4.139 68 H LYS 7 H LYS 10 9.644 17.898 -0.588 69 HA LYS 7 HA LYS 10 12.462 17.480 -0.390 70 1HB LYS 7 1HB LYS 10 11.095 17.041 -2.459 71 2HB LYS 7 2HB LYS 10 10.983 18.787 -2.705 72 1HG LYS 7 1HG LYS 10 12.688 17.991 -4.141 73 2HG LYS 7 2HG LYS 10 13.481 18.904 -2.857 74 1HD LYS 7 1HD LYS 10 14.111 16.764 -1.725 75 2HD LYS 7 2HD LYS 10 13.191 15.863 -2.943 76 1HE LYS 7 1HE LYS 10 15.531 15.733 -3.490 77 2HE LYS 7 2HE LYS 10 14.736 16.736 -4.712 78 1HZ LYS 7 2HZ LYS 10 16.271 17.714 -2.402 79 2HZ LYS 7 3HZ LYS 10 16.801 17.667 -3.961 80 3HZ LYS 7 1HZ LYS 10 15.559 18.667 -3.544 81 H SER 8 H SER 11 10.568 20.498 -0.952 82 HA SER 8 HA SER 11 12.752 22.292 -0.989 83 1HB SER 8 1HB SER 11 9.915 22.797 0.019 84 2HB SER 8 2HB SER 11 11.116 24.027 -0.407 85 HG SER 8 HG SER 11 10.015 22.064 -2.150 86 H ILE 9 H ILE 12 10.723 21.215 1.798 87 HA ILE 9 HA ILE 12 12.092 22.703 3.799 88 HB ILE 9 HB ILE 12 10.594 20.058 3.911 89 1HG1 ILE 9 1HG1 ILE 12 9.773 22.852 4.837 90 2HG1 ILE 9 2HG1 ILE 12 9.378 22.219 3.242 91 1HG2 ILE 9 1HG2 ILE 12 12.137 20.181 5.858 92 2HG2 ILE 9 2HG2 ILE 12 11.518 21.805 6.232 93 3HG2 ILE 9 3HG2 ILE 12 10.470 20.380 6.368 94 1HD1 ILE 9 1HD1 ILE 12 8.176 20.298 4.319 95 2HD1 ILE 9 2HD1 ILE 12 8.415 21.097 5.892 96 3HD1 ILE 9 3HD1 ILE 12 7.469 21.895 4.632 97 H PHE 10 H PHE 13 12.650 19.390 2.569 98 HA PHE 10 HA PHE 13 14.840 18.712 4.179 99 1HB PHE 10 1HB PHE 13 13.576 17.187 2.649 100 2HB PHE 10 2HB PHE 13 14.414 17.897 1.277 101 HD1 PHE 10 HD1 PHE 13 16.954 17.665 1.100 102 HD2 PHE 10 HD2 PHE 13 14.636 15.561 4.079 103 HE1 PHE 10 HE1 PHE 13 18.852 16.147 1.519 104 HE2 PHE 10 HE2 PHE 13 16.530 14.028 4.459 105 HZ PHE 10 HZ PHE 13 18.626 14.279 3.151 106 H GLU 11 H GLU 14 14.859 20.329 0.939 107 HA GLU 11 HA GLU 14 17.670 20.672 0.764 108 1HB GLU 11 1HB GLU 14 15.368 22.270 -0.415 109 2HB GLU 11 2HB GLU 14 17.073 22.608 -0.746 110 1HG GLU 11 1HG GLU 14 17.413 20.342 -1.626 111 2HG GLU 11 2HG GLU 14 15.733 19.922 -1.268 112 H LYS 12 H LYS 15 15.150 22.868 2.084 113 HA LYS 12 HA LYS 15 16.804 25.021 2.738 114 1HB LYS 12 1HB LYS 15 14.343 25.078 2.780 115 2HB LYS 12 2HB LYS 15 14.319 24.003 4.180 116 1HG LYS 12 1HG LYS 15 13.904 26.304 4.827 117 2HG LYS 12 2HG LYS 15 15.387 25.699 5.579 118 1HD LYS 12 1HD LYS 15 16.771 26.953 3.992 119 2HD LYS 12 2HD LYS 15 15.350 27.359 3.012 120 1HE LYS 12 1HE LYS 15 16.044 29.278 4.365 121 2HE LYS 12 2HE LYS 15 14.437 28.722 4.862 122 1HZ LYS 12 2HZ LYS 15 16.967 28.087 6.217 123 2HZ LYS 12 3HZ LYS 15 15.855 29.192 6.724 124 3HZ LYS 12 1HZ LYS 15 15.470 27.590 6.696 125 OH TYR 13 OH TYR 16 11.948 21.173 9.419 126 H TYR 13 H TYR 16 16.130 22.049 4.603 127 HA TYR 13 HA TYR 16 17.699 22.851 6.938 128 1HB TYR 13 1HB TYR 16 16.615 20.222 5.864 129 2HB TYR 13 2HB TYR 16 17.636 20.307 7.290 130 HD1 TYR 13 HD2 TYR 16 15.143 23.031 6.804 131 HD2 TYR 13 HD1 TYR 16 15.877 19.128 8.592 132 HE1 TYR 13 HE2 TYR 16 12.981 23.112 7.960 133 HE2 TYR 13 HE1 TYR 16 13.720 19.139 9.462 134 HH TYR 13 HH TYR 16 11.756 20.379 9.921 135 H ALA 14 H ALA 17 18.185 20.539 4.277 136 HA ALA 14 HA ALA 17 20.701 19.613 4.809 137 1HB ALA 14 2HB ALA 17 19.357 20.206 2.138 138 2HB ALA 14 3HB ALA 17 20.800 19.213 2.301 139 3HB ALA 14 1HB ALA 17 19.287 18.675 3.046 140 H ALA 15 H ALA 18 19.873 22.599 3.065 141 HA ALA 15 HA ALA 18 22.429 23.327 2.197 142 1HB ALA 15 1HB ALA 18 20.390 24.377 1.450 143 2HB ALA 15 2HB ALA 18 20.122 25.102 3.058 144 3HB ALA 15 3HB ALA 18 21.515 25.606 2.068 145 H LYS 16 H LYS 19 21.377 23.248 5.557 146 HA LYS 16 HA LYS 19 23.279 25.238 6.496 147 1HB LYS 16 1HB LYS 19 21.793 22.935 7.813 148 2HB LYS 16 2HB LYS 19 23.050 23.826 8.655 149 1HG LYS 16 1HG LYS 19 20.811 24.654 9.181 150 2HG LYS 16 2HG LYS 19 21.888 25.899 8.534 151 1HD LYS 16 1HD LYS 19 20.791 25.832 6.359 152 2HD LYS 16 2HD LYS 19 19.794 24.458 6.846 153 1HE LYS 16 1HE LYS 19 19.676 27.207 8.149 154 2HE LYS 16 2HE LYS 19 18.593 26.624 6.869 155 1HZ LYS 16 1HZ LYS 19 17.908 24.858 8.311 156 2HZ LYS 16 2HZ LYS 19 18.876 25.409 9.524 157 3HZ LYS 16 3HZ LYS 19 17.613 26.326 8.999 158 H GLU 17 H GLU 20 23.385 21.720 5.754 159 HA GLU 17 HA GLU 20 26.145 21.423 6.604 160 1HB GLU 17 1HB GLU 20 24.169 19.650 5.062 161 2HB GLU 17 2HB GLU 20 25.799 19.173 5.529 162 1HG GLU 17 1HG GLU 20 24.303 18.295 7.151 163 2HG GLU 17 2HG GLU 20 25.266 19.589 7.899 164 H GLY 18 H GLY 21 27.801 20.736 5.041 165 1HA GLY 18 1HA GLY 21 28.274 22.592 3.006 166 2HA GLY 18 2HA GLY 21 29.071 21.017 3.151 167 H ASP 19 H ASP 22 26.776 19.351 2.765 168 HA ASP 19 HA ASP 22 26.457 19.649 -0.159 169 1HB ASP 19 1HB ASP 22 27.442 17.598 0.640 170 2HB ASP 19 2HB ASP 22 26.035 17.278 1.664 171 HA PRO 20 HA PRO 23 22.230 20.992 1.124 172 1HB PRO 20 1HB PRO 23 21.299 21.816 -1.302 173 2HB PRO 20 2HB PRO 23 22.423 22.764 -0.290 174 1HG PRO 20 1HG PRO 23 23.130 20.929 -2.591 175 2HG PRO 20 2HG PRO 23 23.664 22.617 -2.337 176 1HD PRO 20 1HD PRO 23 25.209 20.538 -1.640 177 2HD PRO 20 2HD PRO 23 25.126 21.968 -0.564 178 H ASN 21 H ASN 24 23.224 18.225 -0.630 179 HA ASN 21 HA ASN 24 20.457 17.338 -1.197 180 1HB ASN 21 1HB ASN 24 22.345 17.099 -2.873 181 2HB ASN 21 2HB ASN 24 23.082 15.929 -1.762 182 1HD2 ASN 21 1HD2 ASN 24 21.352 13.556 -3.778 183 2HD2 ASN 21 2HD2 ASN 24 22.911 14.296 -3.432 184 H GLN 22 H GLN 25 22.266 17.455 1.602 185 HA GLN 22 HA GLN 25 20.913 15.022 2.632 186 1HB GLN 22 1HB GLN 25 23.580 15.770 3.797 187 2HB GLN 22 2HB GLN 25 22.820 14.207 3.714 188 1HG GLN 22 1HG GLN 25 23.456 14.130 1.205 189 2HG GLN 22 2HG GLN 25 24.371 15.613 1.511 190 1HE2 GLN 22 1HE2 GLN 25 25.673 11.997 3.026 191 2HE2 GLN 22 2HE2 GLN 25 24.062 12.141 2.373 192 H LEU 23 H LEU 26 20.613 15.123 4.971 193 HA LEU 23 HA LEU 26 21.509 17.628 6.047 194 1HB LEU 23 1HB LEU 26 19.494 17.489 7.700 195 2HB LEU 23 2HB LEU 26 19.358 18.255 6.112 196 HG LEU 23 HG LEU 26 18.360 16.458 5.215 197 1HD1 LEU 23 2HD1 LEU 26 18.668 15.052 7.917 198 2HD1 LEU 23 3HD1 LEU 26 17.567 14.433 6.669 199 3HD1 LEU 23 1HD1 LEU 26 19.304 14.473 6.369 200 1HD2 LEU 23 2HD2 LEU 26 16.888 18.009 6.343 201 2HD2 LEU 23 3HD2 LEU 26 16.199 16.384 6.456 202 3HD2 LEU 23 1HD2 LEU 26 17.020 17.093 7.863 203 H SER 24 H SER 27 21.884 17.781 8.352 204 HA SER 24 HA SER 27 23.511 15.565 9.219 205 1HB SER 24 1HB SER 27 23.907 17.137 11.161 206 2HB SER 24 2HB SER 27 24.270 17.816 9.571 207 HG SER 24 HG SER 27 22.902 19.338 10.162 208 H LYS 25 H LYS 28 23.318 14.685 11.441 209 HA LYS 25 HA LYS 28 20.945 13.375 12.002 210 1HB LYS 25 1HB LYS 28 23.178 12.857 12.917 211 2HB LYS 25 2HB LYS 28 23.061 14.283 13.974 212 1HG LYS 25 1HG LYS 28 21.192 13.287 15.187 213 2HG LYS 25 2HG LYS 28 21.067 11.977 14.005 214 1HD LYS 25 1HD LYS 28 22.109 11.230 16.072 215 2HD LYS 25 2HD LYS 28 23.200 11.030 14.705 216 1HE LYS 25 1HE LYS 28 23.355 13.503 16.490 217 2HE LYS 25 2HE LYS 28 24.101 11.973 16.979 218 1HZ LYS 25 1HZ LYS 28 25.397 11.980 15.004 219 2HZ LYS 25 2HZ LYS 28 24.738 13.402 14.503 220 3HZ LYS 25 3HZ LYS 28 25.651 13.358 15.868 221 H GLU 26 H GLU 29 22.051 16.485 13.379 222 HA GLU 26 HA GLU 29 19.860 16.927 15.137 223 1HB GLU 26 1HB GLU 29 21.684 18.912 13.685 224 2HB GLU 26 2HB GLU 29 20.547 19.321 14.969 225 1HG GLU 26 1HG GLU 29 22.739 19.130 15.942 226 2HG GLU 26 2HG GLU 29 21.730 17.810 16.541 227 H GLU 27 H GLU 30 20.439 18.123 11.790 228 HA GLU 27 HA GLU 30 17.906 19.384 11.517 229 1HB GLU 27 1HB GLU 30 19.942 18.318 9.577 230 2HB GLU 27 2HB GLU 30 18.473 19.160 9.036 231 1HG GLU 27 1HG GLU 30 20.621 20.317 10.883 232 2HG GLU 27 2HG GLU 30 20.487 20.626 9.148 233 H LEU 28 H LEU 31 18.882 15.961 10.913 234 HA LEU 28 HA LEU 31 16.441 15.270 9.608 235 1HB LEU 28 1HB LEU 31 17.355 13.273 9.332 236 2HB LEU 28 2HB LEU 31 18.805 14.016 9.985 237 HG LEU 28 HG LEU 31 18.177 13.081 12.246 238 1HD1 LEU 28 2HD1 LEU 31 16.192 11.520 10.510 239 2HD1 LEU 28 3HD1 LEU 31 16.753 10.961 12.092 240 3HD1 LEU 28 1HD1 LEU 31 15.807 12.433 11.982 241 1HD2 LEU 28 2HD2 LEU 31 19.860 12.101 10.604 242 2HD2 LEU 28 3HD2 LEU 31 19.157 10.981 11.784 243 3HD2 LEU 28 1HD2 LEU 31 18.567 10.999 10.110 244 H LYS 29 H LYS 32 17.558 14.946 12.980 245 HA LYS 29 HA LYS 32 15.251 13.951 14.212 246 1HB LYS 29 1HB LYS 32 17.299 14.234 15.459 247 2HB LYS 29 2HB LYS 32 17.314 15.961 15.177 248 1HG LYS 29 1HG LYS 32 16.626 15.591 17.434 249 2HG LYS 29 2HG LYS 32 15.301 16.314 16.528 250 1HD LYS 29 1HD LYS 32 14.563 14.499 18.072 251 2HD LYS 29 2HD LYS 32 14.136 14.162 16.396 252 1HE LYS 29 1HE LYS 32 14.994 12.175 17.657 253 2HE LYS 29 2HE LYS 32 15.903 12.514 16.181 254 1HZ LYS 29 1HZ LYS 32 17.561 13.576 17.558 255 2HZ LYS 29 2HZ LYS 32 16.705 13.211 18.922 256 3HZ LYS 29 3HZ LYS 32 17.324 12.001 17.980 257 H GLN 30 H GLN 33 16.143 17.368 13.601 258 HA GLN 30 HA GLN 33 13.810 18.518 14.601 259 1HB GLN 30 1HB GLN 33 15.632 19.403 12.325 260 2HB GLN 30 2HB GLN 33 14.341 20.429 12.959 261 1HG GLN 30 1HG GLN 33 15.385 20.741 15.027 262 2HG GLN 30 2HG GLN 33 16.327 19.255 14.910 263 1HE2 GLN 30 1HE2 GLN 33 17.770 22.252 12.476 264 2HE2 GLN 30 2HE2 GLN 33 16.046 21.894 12.453 265 H LEU 31 H LEU 34 14.532 17.494 11.160 266 HA LEU 31 HA LEU 34 12.014 17.966 10.116 267 1HB LEU 31 1HB LEU 34 14.211 17.013 9.008 268 2HB LEU 31 2HB LEU 34 13.505 15.442 9.336 269 HG LEU 31 HG LEU 34 11.920 17.589 7.865 270 1HD1 LEU 31 2HD1 LEU 34 13.908 15.644 6.642 271 2HD1 LEU 31 3HD1 LEU 34 12.764 16.663 5.740 272 3HD1 LEU 31 1HD1 LEU 34 14.050 17.421 6.689 273 1HD2 LEU 31 1HD2 LEU 34 11.890 14.534 7.785 274 2HD2 LEU 31 2HD2 LEU 34 10.658 15.554 8.533 275 3HD2 LEU 31 3HD2 LEU 34 10.875 15.607 6.790 276 H ILE 32 H ILE 35 12.962 15.138 11.798 277 HA ILE 32 HA ILE 35 10.497 13.732 11.576 278 HB ILE 32 HB ILE 35 12.067 13.586 14.167 279 1HG1 ILE 32 1HG1 ILE 35 13.772 13.262 12.641 280 2HG1 ILE 32 2HG1 ILE 35 13.321 11.672 13.198 281 1HG2 ILE 32 2HG2 ILE 35 10.341 11.579 12.678 282 2HG2 ILE 32 3HG2 ILE 35 11.237 11.264 14.172 283 3HG2 ILE 32 1HG2 ILE 35 9.915 12.436 14.169 284 1HD1 ILE 32 2HD1 ILE 35 12.407 12.848 10.521 285 2HD1 ILE 32 3HD1 ILE 35 13.796 11.794 10.763 286 3HD1 ILE 32 1HD1 ILE 35 12.170 11.189 11.125 287 H GLN 33 H GLN 36 11.529 15.731 14.137 288 HA GLN 33 HA GLN 36 9.016 15.779 15.520 289 1HB GLN 33 1HB GLN 36 11.317 17.744 15.753 290 2HB GLN 33 2HB GLN 36 9.944 17.629 16.867 291 1HG GLN 33 1HG GLN 36 12.010 15.448 16.316 292 2HG GLN 33 2HG GLN 36 11.856 16.399 17.789 293 1HE2 GLN 33 1HE2 GLN 36 8.940 14.581 18.942 294 2HE2 GLN 33 2HE2 GLN 36 9.660 16.179 18.959 295 H ALA 34 H ALA 37 10.164 17.860 12.935 296 HA ALA 34 HA ALA 37 7.995 19.779 13.271 297 1HB ALA 34 1HB ALA 37 10.162 20.423 12.320 298 2HB ALA 34 2HB ALA 37 9.920 19.302 10.962 299 3HB ALA 34 3HB ALA 37 8.846 20.702 11.159 300 H GLU 35 H GLU 38 8.689 17.161 10.909 301 HA GLU 35 HA GLU 38 6.101 17.605 9.582 302 1HB GLU 35 1HB GLU 38 8.348 15.688 8.922 303 2HB GLU 35 2HB GLU 38 6.981 16.131 7.880 304 1HG GLU 35 1HG GLU 38 9.265 17.951 8.789 305 2HG GLU 35 2HG GLU 38 8.994 17.305 7.173 306 H PHE 36 H PHE 39 7.580 14.991 11.590 307 HA PHE 36 HA PHE 39 4.915 13.755 11.826 308 1HB PHE 36 1HB PHE 39 5.833 11.535 11.098 309 2HB PHE 36 2HB PHE 39 5.456 12.697 9.854 310 HD1 PHE 36 HD2 PHE 39 7.168 13.658 8.433 311 HD2 PHE 36 HD1 PHE 39 8.126 10.725 11.433 312 HE1 PHE 36 HE2 PHE 39 9.375 13.298 7.369 313 HE2 PHE 36 HE1 PHE 39 10.255 10.246 10.266 314 HZ PHE 36 HZ PHE 39 10.927 11.583 8.285 315 HA PRO 37 HA PRO 40 7.839 13.915 15.451 316 1HB PRO 37 1HB PRO 40 5.838 14.671 17.313 317 2HB PRO 37 2HB PRO 40 6.968 15.755 16.474 318 1HG PRO 37 1HG PRO 40 4.150 15.042 15.702 319 2HG PRO 37 2HG PRO 40 4.937 16.650 15.656 320 1HD PRO 37 1HD PRO 40 4.621 15.212 13.426 321 2HD PRO 37 2HD PRO 40 6.164 16.063 13.681 322 H SER 38 H SER 41 8.359 11.939 15.917 323 HA SER 38 HA SER 41 8.345 9.847 16.722 324 1HB SER 38 1HB SER 41 7.655 11.084 18.780 325 2HB SER 38 2HB SER 41 5.956 10.757 18.383 326 HG SER 38 HG SER 41 6.593 8.502 18.346 327 H LEU 39 H LEU 42 6.369 10.529 14.350 328 HA LEU 39 HA LEU 42 4.381 8.362 14.685 329 1HB LEU 39 1HB LEU 42 4.891 10.003 12.217 330 2HB LEU 39 2HB LEU 42 3.460 9.067 12.623 331 HG LEU 39 HG LEU 42 4.357 11.627 13.995 332 1HD1 LEU 39 1HD1 LEU 42 3.344 11.870 11.731 333 2HD1 LEU 39 2HD1 LEU 42 1.913 10.988 12.298 334 3HD1 LEU 39 3HD1 LEU 42 2.331 12.559 13.013 335 1HD2 LEU 39 1HD2 LEU 42 1.964 9.825 14.579 336 2HD2 LEU 39 2HD2 LEU 42 3.316 10.174 15.681 337 3HD2 LEU 39 3HD2 LEU 42 2.198 11.462 15.227 338 H LEU 40 H LEU 43 6.729 7.367 15.063 339 HA LEU 40 HA LEU 43 7.322 5.565 12.751 340 1HB LEU 40 1HB LEU 43 9.287 6.854 14.700 341 2HB LEU 40 2HB LEU 43 9.711 5.653 13.473 342 HG LEU 40 HG LEU 43 8.565 8.422 12.837 343 1HD1 LEU 40 1HD1 LEU 43 10.749 8.588 13.932 344 2HD1 LEU 40 2HD1 LEU 43 11.440 7.430 12.772 345 3HD1 LEU 40 3HD1 LEU 43 10.868 9.016 12.220 346 1HD2 LEU 40 1HD2 LEU 43 9.903 6.312 11.071 347 2HD2 LEU 40 2HD2 LEU 43 8.178 6.723 11.050 348 3HD2 LEU 40 3HD2 LEU 43 9.373 7.922 10.548 349 H LYS 41 H LYS 44 5.451 4.778 14.245 350 HA LYS 41 HA LYS 44 4.596 3.253 15.594 351 1HB LYS 41 1HB LYS 44 7.396 2.145 15.365 352 2HB LYS 41 2HB LYS 44 6.094 1.315 16.210 353 1HG LYS 41 1HG LYS 44 6.146 0.333 14.105 354 2HG LYS 41 2HG LYS 44 4.713 1.350 14.140 355 1HD LYS 41 1HD LYS 44 5.823 1.417 11.989 356 2HD LYS 41 2HD LYS 44 5.866 3.026 12.700 357 1HE LYS 41 1HE LYS 44 8.250 2.684 13.338 358 2HE LYS 41 2HE LYS 44 8.168 1.006 12.780 359 1HZ LYS 41 2HZ LYS 44 7.761 3.336 11.037 360 2HZ LYS 41 3HZ LYS 44 9.182 2.518 11.214 361 3HZ LYS 41 1HZ LYS 44 7.867 1.743 10.598 362 H GLY 42 H GLY 45 6.559 5.562 16.901 363 1HA GLY 42 1HA GLY 45 5.583 6.005 19.230 364 2HA GLY 42 2HA GLY 45 6.422 4.509 19.680 365 HA PRO 43 HA PRO 46 9.379 8.147 19.910 366 1HB PRO 43 1HB PRO 46 9.732 8.392 22.580 367 2HB PRO 43 2HB PRO 46 8.280 9.023 21.760 368 1HG PRO 43 1HG PRO 46 8.551 6.354 23.180 369 2HG PRO 43 2HG PRO 46 7.300 7.605 23.444 370 1HD PRO 43 1HD PRO 46 6.893 5.476 21.780 371 2HD PRO 43 2HD PRO 46 6.236 7.094 21.391 372 NH1 ARG 44 NH1 ARG 47 7.593 2.018 19.577 373 NH2 ARG 44 NH2 ARG 47 6.567 1.301 21.521 374 H ARG 44 H ARG 47 10.264 6.011 18.833 375 HA ARG 44 HA ARG 47 12.498 4.990 20.563 376 1HB ARG 44 1HB ARG 47 10.864 3.314 18.617 377 2HB ARG 44 2HB ARG 47 12.278 2.796 19.564 378 1HG ARG 44 1HG ARG 47 10.945 3.396 21.660 379 2HG ARG 44 2HG ARG 47 9.561 3.692 20.599 380 1HD ARG 44 1HD ARG 47 10.130 1.220 19.708 381 2HD ARG 44 2HD ARG 47 10.957 1.095 21.255 382 HE ARG 44 HE ARG 47 8.926 1.009 22.340 383 1HH1 ARG 44 1HH1 ARG 47 8.436 2.230 19.066 384 2HH1 ARG 44 2HH1 ARG 47 6.692 2.187 19.134 385 1HH2 ARG 44 1HH2 ARG 47 6.628 0.953 22.467 386 2HH2 ARG 44 2HH2 ARG 47 5.661 1.446 21.101 387 H THR 45 H THR 48 12.018 4.024 17.160 388 HA THR 45 HA THR 48 14.652 4.831 16.573 389 HB THR 45 HB THR 48 12.544 4.045 14.545 No match found for entry HG1THR 45 390 1HG2 THR 45 1HG2 THR 48 15.036 4.597 13.978 391 2HG2 THR 45 2HG2 THR 48 15.412 3.130 14.925 392 3HG2 THR 45 3HG2 THR 48 14.410 2.989 13.487 393 H LEU 46 H LEU 49 13.764 7.282 17.296 394 HA LEU 46 HA LEU 49 12.829 8.774 14.952 395 1HB LEU 46 1HB LEU 49 14.104 9.591 17.602 396 2HB LEU 46 2HB LEU 49 13.826 10.735 16.278 397 HG LEU 46 HG LEU 49 11.434 10.327 16.291 398 1HD1 LEU 46 2HD1 LEU 49 11.946 8.454 18.639 399 2HD1 LEU 46 3HD1 LEU 49 10.362 9.085 18.134 400 3HD1 LEU 46 1HD1 LEU 49 11.250 8.014 17.057 401 1HD2 LEU 46 2HD2 LEU 49 12.389 12.103 17.709 402 2HD2 LEU 46 3HD2 LEU 49 10.934 11.407 18.443 403 3HD2 LEU 46 1HD2 LEU 49 12.539 10.954 19.058 404 H ASP 47 H ASP 50 15.961 7.682 16.206 405 HA ASP 47 HA ASP 50 16.987 7.891 13.656 406 1HB ASP 47 1HB ASP 50 18.812 9.317 13.992 407 2HB ASP 47 2HB ASP 50 17.299 10.220 14.245 408 H ASP 48 H ASP 51 17.492 6.106 13.703 409 HA ASP 48 HA ASP 51 19.910 4.927 14.806 410 1HB ASP 48 1HB ASP 51 18.683 4.210 16.684 411 2HB ASP 48 2HB ASP 51 17.217 3.908 15.763 412 H LEU 49 H LEU 52 16.784 3.955 13.170 413 HA LEU 49 HA LEU 52 18.117 2.376 11.236 414 1HB LEU 49 1HB LEU 52 16.189 2.302 9.976 415 2HB LEU 49 2HB LEU 52 15.646 2.443 11.632 416 HG LEU 49 HG LEU 52 15.374 5.018 11.062 417 1HD1 LEU 49 2HD1 LEU 52 15.424 3.720 8.280 418 2HD1 LEU 49 3HD1 LEU 52 14.715 5.300 8.617 419 3HD1 LEU 49 1HD1 LEU 52 16.442 5.068 8.811 420 1HD2 LEU 49 1HD2 LEU 52 13.575 2.880 9.838 421 2HD2 LEU 49 2HD2 LEU 52 13.489 3.479 11.504 422 3HD2 LEU 49 3HD2 LEU 52 13.104 4.560 10.166 423 H PHE 50 H PHE 53 17.630 5.802 11.566 424 HA PHE 50 HA PHE 53 18.438 7.092 9.325 425 1HB PHE 50 1HB PHE 53 18.477 8.730 10.885 426 2HB PHE 50 2HB PHE 53 18.480 7.552 12.144 427 HD1 PHE 50 HD1 PHE 53 20.830 9.461 9.977 428 HD2 PHE 50 HD2 PHE 53 20.385 7.075 13.537 429 HE1 PHE 50 HE1 PHE 53 23.121 10.028 10.640 430 HE2 PHE 50 HE2 PHE 53 22.690 7.625 14.189 431 HZ PHE 50 HZ PHE 53 24.094 9.062 12.733 432 H GLN 51 H GLN 54 20.582 5.261 11.530 433 HA GLN 51 HA GLN 54 23.039 5.979 10.486 434 1HB GLN 51 1HB GLN 54 22.463 4.749 12.639 435 2HB GLN 51 2HB GLN 54 22.217 3.288 11.667 436 1HG GLN 51 1HG GLN 54 24.560 3.258 10.990 437 2HG GLN 51 2HG GLN 54 24.832 4.856 11.705 438 1HE2 GLN 51 1HE2 GLN 54 24.079 2.008 14.578 439 2HE2 GLN 51 2HE2 GLN 54 22.922 2.238 13.282 440 H GLU 52 H GLU 55 20.736 3.561 9.279 441 HA GLU 52 HA GLU 55 22.550 2.309 7.399 442 1HB GLU 52 1HB GLU 55 19.503 2.467 7.395 443 2HB GLU 52 2HB GLU 55 20.500 1.333 6.480 444 1HG GLU 52 1HG GLU 55 21.300 0.291 8.559 445 2HG GLU 52 2HG GLU 55 20.401 1.459 9.539 446 H LEU 53 H LEU 56 20.487 5.158 7.437 447 HA LEU 53 HA LEU 56 20.588 5.587 4.549 448 1HB LEU 53 1HB LEU 56 19.396 7.360 6.673 449 2HB LEU 53 2HB LEU 56 19.057 7.345 4.938 450 HG LEU 53 HG LEU 56 18.370 5.143 6.901 451 1HD1 LEU 53 2HD1 LEU 56 16.640 7.139 5.378 452 2HD1 LEU 53 3HD1 LEU 56 16.033 5.820 6.395 453 3HD1 LEU 53 1HD1 LEU 56 16.961 7.147 7.125 454 1HD2 LEU 53 2HD2 LEU 56 18.837 4.145 4.686 455 2HD2 LEU 53 3HD2 LEU 56 17.123 4.081 5.088 456 3HD2 LEU 53 1HD2 LEU 56 17.704 5.292 3.936 457 H ASP 54 H ASP 57 22.291 6.535 7.388 458 HA ASP 54 HA ASP 57 23.629 8.948 6.476 459 1HB ASP 54 1HB ASP 57 23.284 8.233 8.870 460 2HB ASP 54 2HB ASP 57 24.332 6.845 8.581 461 H LYS 55 H LYS 58 23.967 7.984 4.300 462 HA LYS 55 HA LYS 58 25.803 6.082 3.546 463 1HB LYS 55 1HB LYS 58 24.398 7.541 2.086 464 2HB LYS 55 2HB LYS 58 25.518 8.885 2.379 465 1HG LYS 55 1HG LYS 58 27.349 7.567 1.327 466 2HG LYS 55 2HG LYS 58 26.221 6.223 1.061 467 1HD LYS 55 1HD LYS 58 24.789 7.725 -0.334 468 2HD LYS 55 2HD LYS 58 25.957 9.040 -0.109 469 1HE LYS 55 1HE LYS 58 26.527 6.349 -1.450 470 2HE LYS 55 2HE LYS 58 26.236 7.880 -2.289 471 1HZ LYS 55 1HZ LYS 58 28.183 8.768 -1.216 472 2HZ LYS 55 2HZ LYS 58 28.472 7.325 -0.472 473 3HZ LYS 55 3HZ LYS 58 28.548 7.435 -2.112 474 H ASN 56 H ASN 59 26.552 9.260 4.946 475 HA ASN 56 HA ASN 59 29.358 9.270 4.331 476 1HB ASN 56 1HB ASN 59 28.002 10.757 6.602 477 2HB ASN 56 2HB ASN 59 29.478 11.203 5.743 478 1HD2 ASN 56 1HD2 ASN 59 27.550 13.311 3.604 479 2HD2 ASN 56 2HD2 ASN 59 29.072 13.021 4.431 480 H GLY 57 H GLY 60 27.518 7.628 6.838 481 1HA GLY 57 1HA GLY 60 28.164 6.412 8.668 482 2HA GLY 57 2HA GLY 60 29.774 6.301 7.928 483 H ASP 58 H ASP 61 27.726 8.868 9.390 484 HA ASP 58 HA ASP 61 29.678 9.477 11.473 485 1HB ASP 58 1HB ASP 61 30.763 10.672 9.689 486 2HB ASP 58 2HB ASP 61 29.244 11.371 9.123 487 H GLY 59 H GLY 62 27.162 11.427 9.762 488 1HA GLY 59 1HA GLY 62 25.082 10.938 11.636 489 2HA GLY 59 2HA GLY 62 25.987 12.365 12.162 490 H GLU 60 H GLU 63 24.904 11.046 8.988 491 HA GLU 60 HA GLU 63 23.484 13.568 8.338 492 1HB GLU 60 1HB GLU 63 25.338 11.852 6.633 493 2HB GLU 60 2HB GLU 63 24.412 13.193 5.985 494 1HG GLU 60 1HG GLU 63 26.592 13.538 8.095 495 2HG GLU 60 2HG GLU 63 26.761 13.848 6.366 496 H VAL 61 H VAL 64 22.177 13.137 6.283 497 HA VAL 61 HA VAL 64 21.569 10.402 5.517 498 HB VAL 61 HB VAL 64 19.280 12.122 6.609 499 1HG1 VAL 61 2HG1 VAL 64 19.418 9.433 5.219 500 2HG1 VAL 61 3HG1 VAL 64 17.950 10.044 6.011 501 3HG1 VAL 61 1HG1 VAL 64 18.616 10.885 4.603 502 1HG2 VAL 61 1HG2 VAL 64 20.469 9.499 7.600 503 2HG2 VAL 61 2HG2 VAL 64 20.349 11.057 8.473 504 3HG2 VAL 61 3HG2 VAL 64 18.889 10.129 8.092 505 H SER 62 H SER 65 21.685 10.478 3.434 506 HA SER 62 HA SER 65 21.570 12.881 1.849 507 1HB SER 62 1HB SER 65 21.472 9.946 1.092 508 2HB SER 62 2HB SER 65 22.051 11.279 0.054 509 HG SER 62 HG SER 65 23.735 10.041 1.109 510 H PHE 63 H PHE 66 19.850 13.492 0.378 511 HA PHE 63 HA PHE 66 17.216 12.966 1.079 512 1HB PHE 63 1HB PHE 66 17.852 14.795 -0.435 513 2HB PHE 63 2HB PHE 66 18.266 13.639 -1.692 514 HD1 PHE 63 HD2 PHE 66 15.432 14.769 0.494 515 HD2 PHE 63 HD1 PHE 66 16.559 12.713 -3.127 516 HE1 PHE 63 HE2 PHE 66 13.042 14.364 -0.027 517 HE2 PHE 63 HE1 PHE 66 14.173 12.280 -3.621 518 HZ PHE 63 HZ PHE 66 12.411 13.077 -2.062 519 H GLU 64 H GLU 67 19.132 11.311 -1.424 520 HA GLU 64 HA GLU 67 17.250 9.626 -2.554 521 1HB GLU 64 1HB GLU 67 20.168 8.965 -1.899 522 2HB GLU 64 2HB GLU 67 19.116 8.055 -2.977 523 1HG GLU 64 1HG GLU 67 20.427 9.394 -4.395 524 2HG GLU 64 2HG GLU 67 18.818 10.123 -4.396 525 H GLU 65 H GLU 68 19.117 9.113 0.429 526 HA GLU 65 HA GLU 68 17.901 6.519 0.962 527 1HB GLU 65 1HB GLU 68 19.705 8.215 2.748 528 2HB GLU 65 2HB GLU 68 19.331 6.486 2.874 529 1HG GLU 65 1HG GLU 68 20.934 7.806 0.654 530 2HG GLU 65 2HG GLU 68 21.529 6.732 1.920 531 H PHE 66 H PHE 69 17.547 9.852 2.157 532 HA PHE 66 HA PHE 69 15.882 9.508 4.355 533 1HB PHE 66 1HB PHE 69 16.719 11.696 3.668 534 2HB PHE 66 2HB PHE 69 15.798 11.610 2.178 535 HD1 PHE 66 HD2 PHE 69 15.098 11.379 5.876 536 HD2 PHE 66 HD1 PHE 69 13.886 12.872 2.012 537 HE1 PHE 66 HE2 PHE 69 13.147 12.505 6.914 538 HE2 PHE 66 HE1 PHE 69 11.968 14.032 3.063 539 HZ PHE 66 HZ PHE 69 11.551 13.787 5.492 540 H GLN 67 H GLN 70 15.012 9.357 0.909 541 HA GLN 67 HA GLN 70 12.238 9.271 0.996 542 1HB GLN 67 1HB GLN 70 14.126 7.531 -0.630 543 2HB GLN 67 2HB GLN 70 12.395 7.695 -0.953 544 1HG GLN 67 1HG GLN 70 12.607 10.089 -1.357 545 2HG GLN 67 2HG GLN 70 14.325 10.060 -0.972 546 1HE2 GLN 67 1HE2 GLN 70 15.122 8.142 -4.021 547 2HE2 GLN 67 2HE2 GLN 70 15.435 7.995 -2.294 548 H VAL 68 H VAL 71 14.497 6.620 1.936 549 HA VAL 68 HA VAL 71 12.499 4.607 2.255 550 HB VAL 68 HB VAL 71 15.152 4.959 3.724 551 1HG1 VAL 68 2HG1 VAL 71 13.380 2.506 3.362 552 2HG1 VAL 68 3HG1 VAL 71 15.017 2.500 4.050 553 3HG1 VAL 68 1HG1 VAL 71 13.715 3.346 4.891 554 1HG2 VAL 68 1HG2 VAL 71 14.465 3.389 1.196 555 2HG2 VAL 68 2HG2 VAL 71 15.469 4.851 1.259 556 3HG2 VAL 68 3HG2 VAL 71 16.029 3.369 2.036 557 H LEU 69 H LEU 72 13.953 6.929 4.594 558 HA LEU 69 HA LEU 72 12.385 6.175 6.820 559 1HB LEU 69 1HB LEU 72 14.374 7.541 7.025 560 2HB LEU 69 2HB LEU 72 13.613 8.866 6.137 561 HG LEU 69 HG LEU 72 11.975 9.189 7.913 562 1HD1 LEU 69 2HD1 LEU 72 13.410 6.970 9.429 563 2HD1 LEU 69 3HD1 LEU 72 12.182 8.056 10.093 564 3HD1 LEU 69 1HD1 LEU 72 11.731 6.907 8.838 565 1HD2 LEU 69 1HD2 LEU 72 14.880 9.013 8.850 566 2HD2 LEU 69 2HD2 LEU 72 14.101 10.398 8.052 567 3HD2 LEU 69 3HD2 LEU 72 13.601 9.903 9.682 568 H VAL 70 H VAL 73 11.748 8.539 4.195 569 HA VAL 70 HA VAL 73 9.281 9.492 5.222 570 HB VAL 70 HB VAL 73 10.156 9.167 2.314 571 1HG1 VAL 70 2HG1 VAL 73 7.861 10.805 3.457 572 2HG1 VAL 70 3HG1 VAL 73 8.458 10.873 1.790 573 3HG1 VAL 70 1HG1 VAL 73 7.705 9.391 2.390 574 1HG2 VAL 70 2HG2 VAL 73 11.599 10.675 3.688 575 2HG2 VAL 70 3HG2 VAL 73 10.675 11.564 2.473 576 3HG2 VAL 70 1HG2 VAL 73 10.157 11.584 4.172 577 H LYS 71 H LYS 74 9.946 6.623 3.086 578 HA LYS 71 HA LYS 74 7.207 5.796 2.954 579 1HB LYS 71 1HB LYS 74 9.732 4.093 2.877 580 2HB LYS 71 2HB LYS 74 8.115 3.522 2.478 581 1HG LYS 71 1HG LYS 74 9.556 5.761 1.000 582 2HG LYS 71 2HG LYS 74 9.521 4.066 0.505 583 1HD LYS 71 1HD LYS 74 7.002 4.196 0.405 584 2HD LYS 71 2HD LYS 74 7.114 5.939 0.710 585 1HE LYS 71 1HE LYS 74 8.355 4.457 -1.654 586 2HE LYS 71 2HE LYS 74 6.890 5.449 -1.697 587 1HZ LYS 71 1HZ LYS 74 8.216 7.332 -1.055 588 2HZ LYS 71 2HZ LYS 74 9.583 6.413 -1.039 589 3HZ LYS 71 3HZ LYS 74 8.778 6.664 -2.453 590 H LYS 72 H LYS 75 9.717 5.203 5.437 591 HA LYS 72 HA LYS 75 8.087 3.384 6.926 592 1HB LYS 72 1HB LYS 75 10.415 5.072 7.899 593 2HB LYS 72 2HB LYS 75 9.672 3.755 8.788 594 1HG LYS 72 1HG LYS 75 11.288 3.563 6.237 595 2HG LYS 72 2HG LYS 75 11.693 2.935 7.819 596 1HD LYS 72 1HD LYS 75 9.514 1.969 5.921 597 2HD LYS 72 2HD LYS 75 11.009 1.133 6.324 598 1HE LYS 72 1HE LYS 75 8.716 1.664 8.279 599 2HE LYS 72 2HE LYS 75 9.097 0.124 7.508 600 1HZ LYS 72 1HZ LYS 75 11.192 0.141 8.646 601 2HZ LYS 72 2HZ LYS 75 10.837 1.585 9.362 602 3HZ LYS 72 3HZ LYS 75 9.934 0.249 9.710 603 H ILE 73 H ILE 76 7.702 6.825 6.703 604 HA ILE 73 HA ILE 76 6.879 7.530 9.280 605 HB ILE 73 HB ILE 76 5.592 8.443 6.687 606 1HG1 ILE 73 1HG1 ILE 76 7.872 9.807 8.209 607 2HG1 ILE 73 2HG1 ILE 76 8.101 8.791 6.846 608 1HG2 ILE 73 1HG2 ILE 76 4.249 8.981 8.733 609 2HG2 ILE 73 2HG2 ILE 76 5.685 9.721 9.460 610 3HG2 ILE 73 3HG2 ILE 76 4.918 10.436 8.028 611 1HD1 ILE 73 1HD1 ILE 76 6.618 10.301 5.479 612 2HD1 ILE 73 2HD1 ILE 76 6.489 11.385 6.879 613 3HD1 ILE 73 3HD1 ILE 76 8.053 11.123 6.126 614 H SER 74 H SER 77 5.705 6.115 10.469 615 HA SER 74 HA SER 77 4.171 4.515 11.042 616 1HB SER 74 1HB SER 77 2.352 6.647 9.834 617 2HB SER 74 2HB SER 77 1.820 5.361 10.933 618 HG SER 74 HG SER 77 3.953 7.113 11.596 619 H GLN 75 H GLN 78 5.410 3.877 8.711 620 HA GLN 75 HA GLN 78 4.767 3.079 6.462 621 1HB GLN 75 1HB GLN 78 5.269 0.613 6.994 622 2HB GLN 75 2HB GLN 78 6.458 1.853 7.394 623 1HG GLN 75 1HG GLN 78 5.819 1.917 9.693 624 2HG GLN 75 2HG GLN 78 4.427 0.866 9.418 625 1HE2 GLN 75 1HE2 GLN 78 6.430 -2.141 9.143 626 2HE2 GLN 75 2HE2 GLN 78 4.973 -1.383 8.519 No H/Q in entry = 627 Start of MODEL 3 Raw file had 628 H/Q atoms Start of MODEL 3 1 1H SER -2 1H SER 1 1.302 9.444 9.423 2 2H SER -2 2H SER 1 1.774 8.618 8.072 3 3H SER -2 3H SER 1 2.869 8.914 9.267 4 HA SER -2 HA SER 1 2.944 11.132 8.977 5 1HB SER -2 1HB SER 1 2.989 9.848 6.212 6 2HB SER -2 2HB SER 1 3.947 11.238 6.754 7 HG SER -2 HG SER 1 5.072 9.173 6.855 8 H ALA -1 H ALA 2 2.103 13.123 8.129 9 HA ALA -1 HA ALA 2 -0.775 12.937 7.440 10 1HB ALA -1 1HB ALA 2 0.018 14.356 9.333 11 2HB ALA -1 2HB ALA 2 0.892 15.372 8.169 12 3HB ALA -1 3HB ALA 2 -0.880 15.246 8.097 13 H GLN 0 H GLN 3 -0.164 15.815 6.220 14 HA GLN 0 HA GLN 3 -0.425 15.026 3.535 15 1HB GLN 0 1HB GLN 3 -1.109 17.220 4.562 16 2HB GLN 0 2HB GLN 3 0.599 17.700 4.586 17 1HG GLN 0 1HG GLN 3 0.660 17.447 2.088 18 2HG GLN 0 2HG GLN 3 -1.035 16.946 2.115 19 1HE2 GLN 0 1HE2 GLN 3 -0.079 20.917 2.697 20 2HE2 GLN 0 2HE2 GLN 3 1.170 19.695 2.906 21 H LYS 1 H LYS 4 1.035 14.475 1.994 22 HA LYS 1 HA LYS 4 3.891 15.176 2.181 23 1HB LYS 1 1HB LYS 4 2.716 12.371 1.874 24 2HB LYS 1 2HB LYS 4 4.385 12.768 1.493 25 1HG LYS 1 1HG LYS 4 3.071 12.980 4.236 26 2HG LYS 1 2HG LYS 4 4.121 11.679 3.699 27 1HD LYS 1 1HD LYS 4 4.899 14.601 4.151 28 2HD LYS 1 2HD LYS 4 5.349 13.216 5.132 29 1HE LYS 1 1HE LYS 4 6.262 13.773 2.281 30 2HE LYS 1 2HE LYS 4 7.228 13.885 3.753 31 1HZ LYS 1 1HZ LYS 4 6.887 11.521 4.063 32 2HZ LYS 1 2HZ LYS 4 6.064 11.429 2.638 33 3HZ LYS 1 3HZ LYS 4 7.655 11.855 2.647 34 H SER 2 H SER 5 4.771 15.344 0.079 35 HA SER 2 HA SER 5 3.482 14.429 -2.277 36 1HB SER 2 1HB SER 5 3.108 17.336 -1.452 37 2HB SER 2 2HB SER 5 3.222 16.902 -3.166 38 HG SER 2 HG SER 5 1.431 15.578 -1.431 39 HA PRO 3 HA PRO 6 7.689 14.714 -3.476 40 1HB PRO 3 1HB PRO 6 6.811 16.006 -6.079 41 2HB PRO 3 2HB PRO 6 7.969 14.678 -5.813 42 1HG PRO 3 1HG PRO 6 5.429 14.133 -6.585 43 2HG PRO 3 2HG PRO 6 6.190 13.160 -5.291 44 1HD PRO 3 1HD PRO 6 4.247 15.465 -4.985 45 2HD PRO 3 2HD PRO 6 4.259 13.863 -4.194 46 H ALA 4 H ALA 7 6.342 17.734 -4.980 47 HA ALA 4 HA ALA 7 8.612 19.288 -4.466 48 1HB ALA 4 1HB ALA 7 6.827 19.915 -6.075 49 2HB ALA 4 2HB ALA 7 5.717 20.215 -4.717 50 3HB ALA 4 3HB ALA 7 7.158 21.231 -4.931 51 H GLU 5 H GLU 8 6.023 18.587 -2.407 52 HA GLU 5 HA GLU 8 6.474 20.617 -0.399 53 1HB GLU 5 1HB GLU 8 4.344 19.415 -0.591 54 2HB GLU 5 2HB GLU 8 5.136 17.897 -0.140 55 1HG GLU 5 1HG GLU 8 5.668 18.830 2.095 56 2HG GLU 5 2HG GLU 8 4.890 20.356 1.634 57 H LEU 6 H LEU 9 7.241 17.070 -0.320 58 HA LEU 6 HA LEU 9 8.939 17.412 1.926 59 1HB LEU 6 1HB LEU 9 9.569 15.118 1.736 60 2HB LEU 6 2HB LEU 9 7.850 15.321 1.421 61 HG LEU 6 HG LEU 9 8.626 15.338 -1.127 62 1HD1 LEU 6 1HD1 LEU 9 11.093 15.191 -0.649 63 2HD1 LEU 6 2HD1 LEU 9 10.803 13.671 0.210 64 3HD1 LEU 6 3HD1 LEU 9 10.494 13.785 -1.532 65 1HD2 LEU 6 1HD2 LEU 9 8.412 12.873 0.613 66 2HD2 LEU 6 2HD2 LEU 9 7.072 13.741 -0.165 67 3HD2 LEU 6 3HD2 LEU 9 8.259 12.882 -1.160 68 H LYS 7 H LYS 10 9.539 17.574 -1.395 69 HA LYS 7 HA LYS 10 12.406 17.670 -1.430 70 1HB LYS 7 1HB LYS 10 10.203 18.703 -3.195 71 2HB LYS 7 2HB LYS 10 11.806 19.218 -3.570 72 1HG LYS 7 1HG LYS 10 12.584 16.863 -3.697 73 2HG LYS 7 2HG LYS 10 10.958 16.299 -3.267 74 1HD LYS 7 1HD LYS 10 10.056 17.394 -5.323 75 2HD LYS 7 2HD LYS 10 11.697 17.921 -5.749 76 1HE LYS 7 1HE LYS 10 12.431 15.544 -5.851 77 2HE LYS 7 2HE LYS 10 10.794 15.017 -5.413 78 1HZ LYS 7 1HZ LYS 10 10.000 16.034 -7.423 79 2HZ LYS 7 2HZ LYS 10 11.524 16.518 -7.828 80 3HZ LYS 7 3HZ LYS 10 11.161 14.912 -7.756 81 H SER 8 H SER 11 10.030 20.396 -1.387 82 HA SER 8 HA SER 11 11.896 22.450 -0.976 83 1HB SER 8 1HB SER 11 9.009 22.281 -0.005 84 2HB SER 8 2HB SER 11 10.002 23.750 -0.062 85 HG SER 8 HG SER 11 9.183 22.132 -2.241 86 H ILE 9 H ILE 12 10.064 20.570 1.520 87 HA ILE 9 HA ILE 12 11.177 21.934 3.756 88 HB ILE 9 HB ILE 12 10.123 19.097 3.464 89 1HG1 ILE 9 1HG1 ILE 12 8.812 21.550 4.728 90 2HG1 ILE 9 2HG1 ILE 12 8.572 21.114 3.038 91 1HG2 ILE 9 2HG2 ILE 12 10.757 20.670 6.006 92 2HG2 ILE 9 3HG2 ILE 12 9.910 19.110 5.952 93 3HG2 ILE 9 1HG2 ILE 12 11.589 19.206 5.447 94 1HD1 ILE 9 1HD1 ILE 12 7.704 18.879 3.736 95 2HD1 ILE 9 2HD1 ILE 12 7.771 19.419 5.430 96 3HD1 ILE 9 3HD1 ILE 12 6.722 20.253 4.276 97 H PHE 10 H PHE 13 12.203 18.845 2.247 98 HA PHE 10 HA PHE 13 14.445 18.306 3.820 99 1HB PHE 10 1HB PHE 13 13.471 16.743 2.208 100 2HB PHE 10 2HB PHE 13 13.961 17.764 0.860 101 HD1 PHE 10 HD2 PHE 13 16.416 18.055 0.317 102 HD2 PHE 10 HD1 PHE 13 15.048 15.251 3.300 103 HE1 PHE 10 HE2 PHE 13 18.673 17.123 0.496 104 HE2 PHE 10 HE1 PHE 13 17.245 14.126 3.240 105 HZ PHE 10 HZ PHE 13 19.091 15.093 1.901 106 H GLU 11 H GLU 14 14.345 20.084 0.698 107 HA GLU 11 HA GLU 14 17.081 20.788 0.607 108 1HB GLU 11 1HB GLU 14 14.597 22.074 -0.586 109 2HB GLU 11 2HB GLU 14 16.243 22.614 -0.952 110 1HG GLU 11 1HG GLU 14 16.852 20.483 -1.900 111 2HG GLU 11 2HG GLU 14 15.361 19.718 -1.345 112 H LYS 12 H LYS 15 14.276 22.620 1.960 113 HA LYS 12 HA LYS 15 15.708 24.920 2.666 114 1HB LYS 12 1HB LYS 15 13.260 24.784 2.686 115 2HB LYS 12 2HB LYS 15 13.304 23.637 4.031 116 1HG LYS 12 1HG LYS 15 12.701 25.866 4.791 117 2HG LYS 12 2HG LYS 15 14.225 25.349 5.522 118 1HD LYS 12 1HD LYS 15 15.498 26.772 3.942 119 2HD LYS 12 2HD LYS 15 14.008 27.158 3.062 120 1HE LYS 12 1HE LYS 15 14.638 29.013 4.513 121 2HE LYS 12 2HE LYS 15 13.120 28.304 5.087 122 1HZ LYS 12 2HZ LYS 15 15.793 27.752 6.186 123 2HZ LYS 12 3HZ LYS 15 14.668 28.753 6.859 124 3HZ LYS 12 1HZ LYS 15 14.373 27.136 6.751 125 OH TYR 13 OH TYR 16 12.639 21.426 10.919 126 H TYR 13 H TYR 16 15.308 21.831 4.441 127 HA TYR 13 HA TYR 16 16.752 22.775 6.784 128 1HB TYR 13 1HB TYR 16 15.762 20.111 5.778 129 2HB TYR 13 2HB TYR 16 17.078 20.137 6.945 130 HD1 TYR 13 HD2 TYR 16 13.756 21.879 6.527 131 HD2 TYR 13 HD1 TYR 16 16.472 19.804 9.191 132 HE1 TYR 13 HE2 TYR 16 12.181 22.167 8.402 133 HE2 TYR 13 HE1 TYR 16 15.020 20.259 11.038 134 HH TYR 13 HH TYR 16 11.807 21.831 10.670 135 H ALA 14 H ALA 17 17.634 20.446 4.207 136 HA ALA 14 HA ALA 17 20.292 20.094 4.923 137 1HB ALA 14 2HB ALA 17 18.927 19.886 2.216 138 2HB ALA 14 3HB ALA 17 20.590 19.357 2.547 139 3HB ALA 14 1HB ALA 17 19.245 18.605 3.427 140 H ALA 15 H ALA 18 18.939 22.751 2.951 141 HA ALA 15 HA ALA 18 21.327 23.777 1.907 142 1HB ALA 15 2HB ALA 18 18.861 25.266 2.886 143 2HB ALA 15 3HB ALA 18 20.141 25.952 1.857 144 3HB ALA 15 1HB ALA 18 19.151 24.609 1.255 145 H LYS 16 H LYS 19 20.140 23.948 5.287 146 HA LYS 16 HA LYS 19 21.864 26.051 6.151 147 1HB LYS 16 1HB LYS 19 20.827 23.643 7.695 148 2HB LYS 16 2HB LYS 19 21.571 25.083 8.393 149 1HG LYS 16 1HG LYS 19 19.818 26.505 7.349 150 2HG LYS 16 2HG LYS 19 18.944 25.068 6.812 151 1HD LYS 16 1HD LYS 19 19.690 25.375 9.748 152 2HD LYS 16 2HD LYS 19 18.358 26.322 9.088 153 1HE LYS 16 1HE LYS 19 17.556 24.245 10.134 154 2HE LYS 16 2HE LYS 19 17.132 24.353 8.422 155 1HZ LYS 16 2HZ LYS 19 19.402 22.829 9.498 156 2HZ LYS 16 3HZ LYS 19 17.943 22.184 9.075 157 3HZ LYS 16 1HZ LYS 19 18.907 22.866 7.925 158 H GLU 17 H GLU 20 22.511 22.698 5.353 159 HA GLU 17 HA GLU 20 25.098 22.527 6.696 160 1HB GLU 17 1HB GLU 20 23.977 20.863 4.440 161 2HB GLU 17 2HB GLU 20 25.186 20.363 5.626 162 1HG GLU 17 1HG GLU 20 22.213 20.876 6.232 163 2HG GLU 17 2HG GLU 20 22.982 19.315 5.987 164 H GLY 18 H GLY 21 24.008 24.172 3.960 165 1HA GLY 18 1HA GLY 21 25.340 25.419 2.495 166 2HA GLY 18 2HA GLY 21 26.727 24.343 2.761 167 H ASP 19 H ASP 22 25.908 21.883 2.321 168 HA ASP 19 HA ASP 22 25.312 21.769 -0.534 169 1HB ASP 19 1HB ASP 22 26.946 20.234 0.330 170 2HB ASP 19 2HB ASP 22 25.822 19.636 1.565 171 HA PRO 20 HA PRO 23 20.890 21.268 0.655 172 1HB PRO 20 1HB PRO 23 19.692 21.788 -1.696 173 2HB PRO 20 2HB PRO 23 20.543 23.068 -0.791 174 1HG PRO 20 1HG PRO 23 21.650 21.412 -3.084 175 2HG PRO 20 2HG PRO 23 21.631 23.192 -2.938 176 1HD PRO 20 1HD PRO 23 23.792 21.674 -2.214 177 2HD PRO 20 2HD PRO 23 23.345 23.169 -1.339 178 H ASN 21 H ASN 24 22.178 18.950 0.773 179 HA ASN 21 HA ASN 24 20.441 17.159 -0.738 180 1HB ASN 21 1HB ASN 24 22.910 17.745 -1.929 181 2HB ASN 21 2HB ASN 24 23.176 16.183 -1.150 182 1HD2 ASN 21 1HD2 ASN 24 20.180 16.571 -4.014 183 2HD2 ASN 21 2HD2 ASN 24 20.575 17.920 -2.941 184 H GLN 22 H GLN 25 21.826 17.767 2.208 185 HA GLN 22 HA GLN 25 21.012 15.111 3.110 186 1HB GLN 22 1HB GLN 25 23.553 16.184 4.303 187 2HB GLN 22 2HB GLN 25 23.029 14.528 4.163 188 1HG GLN 22 1HG GLN 25 23.747 14.503 1.736 189 2HG GLN 22 2HG GLN 25 24.253 16.194 1.905 190 1HE2 GLN 22 1HE2 GLN 25 26.558 13.221 3.584 191 2HE2 GLN 22 2HE2 GLN 25 24.906 12.872 3.069 192 H LEU 23 H LEU 26 20.814 15.020 5.400 193 HA LEU 23 HA LEU 26 21.251 17.590 6.678 194 1HB LEU 23 1HB LEU 26 19.362 15.338 7.692 195 2HB LEU 23 2HB LEU 26 19.511 16.961 8.348 196 HG LEU 23 HG LEU 26 18.744 17.613 5.878 197 1HD1 LEU 23 2HD1 LEU 26 17.470 14.869 6.334 198 2HD1 LEU 23 3HD1 LEU 26 16.952 16.052 5.122 199 3HD1 LEU 23 1HD1 LEU 26 18.557 15.309 5.002 200 1HD2 LEU 23 2HD2 LEU 26 17.611 18.160 8.058 201 2HD2 LEU 23 3HD2 LEU 26 16.480 17.845 6.730 202 3HD2 LEU 23 1HD2 LEU 26 16.767 16.602 7.965 203 H SER 24 H SER 27 22.662 17.515 8.525 204 HA SER 24 HA SER 27 23.951 14.922 9.007 205 1HB SER 24 1HB SER 27 24.352 17.527 10.528 206 2HB SER 24 2HB SER 27 25.396 16.097 10.515 207 HG SER 24 HG SER 27 24.846 17.880 8.385 208 H LYS 25 H LYS 28 24.029 14.137 11.335 209 HA LYS 25 HA LYS 28 21.674 13.259 12.286 210 1HB LYS 25 1HB LYS 28 23.968 12.648 13.061 211 2HB LYS 25 2HB LYS 28 23.962 14.073 14.116 212 1HG LYS 25 1HG LYS 28 21.955 13.158 15.295 213 2HG LYS 25 2HG LYS 28 21.956 11.765 14.191 214 1HD LYS 25 1HD LYS 28 24.204 11.118 14.992 215 2HD LYS 25 2HD LYS 28 24.227 12.512 16.091 216 1HE LYS 25 1HE LYS 28 22.264 11.624 17.299 217 2HE LYS 25 2HE LYS 28 22.147 10.271 16.159 218 1HZ LYS 25 1HZ LYS 28 24.295 9.544 16.894 219 2HZ LYS 25 2HZ LYS 28 24.402 10.794 17.964 220 3HZ LYS 25 3HZ LYS 28 23.245 9.635 18.159 221 H GLU 26 H GLU 29 23.046 16.397 13.394 222 HA GLU 26 HA GLU 29 20.999 16.966 15.297 223 1HB GLU 26 1HB GLU 29 22.798 18.866 13.714 224 2HB GLU 26 2HB GLU 29 21.768 19.314 15.070 225 1HG GLU 26 1HG GLU 29 23.998 19.052 15.902 226 2HG GLU 26 2HG GLU 29 23.013 17.736 16.547 227 H GLU 27 H GLU 30 21.401 18.231 11.957 228 HA GLU 27 HA GLU 30 18.925 19.604 11.864 229 1HB GLU 27 1HB GLU 30 20.713 18.503 9.656 230 2HB GLU 27 2HB GLU 30 19.265 19.476 9.371 231 1HG GLU 27 1HG GLU 30 21.116 20.983 9.316 232 2HG GLU 27 2HG GLU 30 20.203 21.301 10.793 233 H LEU 28 H LEU 31 19.743 16.190 11.117 234 HA LEU 28 HA LEU 31 17.153 15.645 10.000 235 1HB LEU 28 1HB LEU 31 17.973 13.645 9.552 236 2HB LEU 28 2HB LEU 31 19.508 14.293 10.123 237 HG LEU 28 HG LEU 31 19.085 13.273 12.365 238 1HD1 LEU 28 2HD1 LEU 31 16.690 12.049 10.898 239 2HD1 LEU 28 3HD1 LEU 31 17.464 11.250 12.275 240 3HD1 LEU 28 1HD1 LEU 31 16.690 12.791 12.517 241 1HD2 LEU 28 2HD2 LEU 31 20.442 12.231 10.555 242 2HD2 LEU 28 3HD2 LEU 31 19.617 11.061 11.614 243 3HD2 LEU 28 1HD2 LEU 31 18.945 11.425 10.009 244 H LYS 29 H LYS 32 18.552 15.122 13.263 245 HA LYS 29 HA LYS 32 16.308 14.111 14.586 246 1HB LYS 29 1HB LYS 32 18.291 14.232 15.847 247 2HB LYS 29 2HB LYS 32 18.601 15.901 15.411 248 1HG LYS 29 1HG LYS 32 18.082 15.826 17.710 249 2HG LYS 29 2HG LYS 32 16.799 16.708 16.869 250 1HD LYS 29 1HD LYS 32 15.314 14.760 17.027 251 2HD LYS 29 2HD LYS 32 16.634 13.739 17.618 252 1HE LYS 29 1HE LYS 32 15.097 14.464 19.436 253 2HE LYS 29 2HE LYS 32 16.768 14.979 19.703 254 1HZ LYS 29 2HZ LYS 32 14.653 16.688 18.591 255 2HZ LYS 29 3HZ LYS 32 15.170 16.707 20.156 256 3HZ LYS 29 1HZ LYS 32 16.195 17.144 18.944 257 H GLN 30 H GLN 33 17.155 17.529 14.015 258 HA GLN 30 HA GLN 33 14.856 18.669 15.151 259 1HB GLN 30 1HB GLN 33 16.593 19.609 12.835 260 2HB GLN 30 2HB GLN 33 15.338 20.608 13.577 261 1HG GLN 30 1HG GLN 33 16.492 20.739 15.647 262 2HG GLN 30 2HG GLN 33 17.528 19.363 15.281 263 1HE2 GLN 30 1HE2 GLN 33 18.418 22.869 13.283 264 2HE2 GLN 30 2HE2 GLN 33 16.732 22.441 13.530 265 H LEU 31 H LEU 34 15.418 17.864 11.617 266 HA LEU 31 HA LEU 34 12.890 18.426 10.711 267 1HB LEU 31 1HB LEU 34 14.822 17.759 9.258 268 2HB LEU 31 2HB LEU 34 14.655 16.110 9.834 269 HG LEU 31 HG LEU 34 12.420 15.908 8.846 270 1HD1 LEU 31 2HD1 LEU 34 12.910 18.728 7.780 271 2HD1 LEU 31 3HD1 LEU 34 11.614 17.635 7.252 272 3HD1 LEU 31 1HD1 LEU 34 11.618 18.244 8.904 273 1HD2 LEU 31 2HD2 LEU 34 14.469 15.330 7.540 274 2HD2 LEU 31 3HD2 LEU 34 13.084 15.803 6.538 275 3HD2 LEU 31 1HD2 LEU 34 14.406 16.949 6.804 276 H ILE 32 H ILE 35 13.934 15.423 11.927 277 HA ILE 32 HA ILE 35 11.572 13.897 11.663 278 HB ILE 32 HB ILE 35 13.725 13.635 13.780 279 1HG1 ILE 32 1HG1 ILE 35 14.546 13.319 11.461 280 2HG1 ILE 32 2HG1 ILE 35 14.649 11.870 12.458 281 1HG2 ILE 32 2HG2 ILE 35 11.604 11.585 13.044 282 2HG2 ILE 32 3HG2 ILE 35 13.015 11.254 14.027 283 3HG2 ILE 32 1HG2 ILE 35 11.803 12.367 14.620 284 1HD1 ILE 32 2HD1 ILE 35 12.552 12.412 10.309 285 2HD1 ILE 32 3HD1 ILE 35 14.008 11.420 10.159 286 3HD1 ILE 32 1HD1 ILE 35 12.718 10.907 11.252 287 H GLN 33 H GLN 36 12.619 15.503 14.513 288 HA GLN 33 HA GLN 36 10.069 15.209 15.847 289 1HB GLN 33 1HB GLN 36 12.289 17.224 16.406 290 2HB GLN 33 2HB GLN 36 10.884 16.954 17.451 291 1HG GLN 33 1HG GLN 36 13.001 14.865 16.774 292 2HG GLN 33 2HG GLN 36 12.847 15.759 18.291 293 1HE2 GLN 33 1HE2 GLN 36 10.344 12.572 17.492 294 2HE2 GLN 33 2HE2 GLN 36 11.370 13.277 16.262 295 H ALA 34 H ALA 37 11.191 17.750 13.641 296 HA ALA 34 HA ALA 37 9.045 19.552 14.192 297 1HB ALA 34 1HB ALA 37 11.080 20.201 12.963 298 2HB ALA 34 2HB ALA 37 10.588 19.180 11.594 299 3HB ALA 34 3HB ALA 37 9.602 20.578 12.055 300 H GLU 35 H GLU 38 9.312 16.754 11.968 301 HA GLU 35 HA GLU 38 6.574 17.196 10.941 302 1HB GLU 35 1HB GLU 38 8.523 14.907 10.452 303 2HB GLU 35 2HB GLU 38 7.005 15.220 9.574 304 1HG GLU 35 1HG GLU 38 7.879 17.384 8.791 305 2HG GLU 35 2HG GLU 38 9.448 16.994 9.511 306 H PHE 36 H PHE 39 6.095 14.230 10.869 307 HA PHE 36 HA PHE 39 4.636 14.155 13.181 308 1HB PHE 36 1HB PHE 39 4.678 11.577 11.733 309 2HB PHE 36 2HB PHE 39 3.300 12.560 12.181 310 HD1 PHE 36 HD2 PHE 39 2.816 14.678 10.776 311 HD2 PHE 36 HD1 PHE 39 5.716 11.728 9.555 312 HE1 PHE 36 HE2 PHE 39 3.152 15.878 8.635 313 HE2 PHE 36 HE1 PHE 39 6.060 12.954 7.443 314 HZ PHE 36 HZ PHE 39 4.742 15.006 6.953 315 HA PRO 37 HA PRO 40 7.750 10.573 14.608 316 1HB PRO 37 1HB PRO 40 9.811 12.512 14.091 317 2HB PRO 37 2HB PRO 40 9.938 10.713 14.146 318 1HG PRO 37 1HG PRO 40 9.796 11.976 11.710 319 2HG PRO 37 2HG PRO 40 8.744 10.561 12.019 320 1HD PRO 37 1HD PRO 40 8.014 13.513 12.376 321 2HD PRO 37 2HD PRO 40 7.051 12.256 11.555 322 H SER 38 H SER 41 6.982 13.747 15.400 323 HA SER 38 HA SER 41 8.477 14.408 17.685 324 1HB SER 38 1HB SER 41 5.956 15.449 18.129 325 2HB SER 38 2HB SER 41 7.202 16.207 17.141 326 HG SER 38 HG SER 41 6.159 15.659 15.340 327 H LEU 39 H LEU 42 5.764 12.219 17.182 328 HA LEU 39 HA LEU 42 5.151 11.743 19.935 329 1HB LEU 39 1HB LEU 42 3.918 9.785 19.128 330 2HB LEU 39 2HB LEU 42 3.566 11.276 18.264 331 HG LEU 39 HG LEU 42 5.099 10.464 16.383 332 1HD1 LEU 39 2HD1 LEU 42 4.929 7.880 17.986 333 2HD1 LEU 39 3HD1 LEU 42 5.296 7.943 16.251 334 3HD1 LEU 39 1HD1 LEU 42 6.397 8.695 17.392 335 1HD2 LEU 39 2HD2 LEU 42 2.638 10.413 16.286 336 2HD2 LEU 39 3HD2 LEU 42 3.348 9.023 15.452 337 3HD2 LEU 39 1HD2 LEU 42 2.638 8.817 17.068 338 H LEU 40 H LEU 43 7.945 10.858 18.210 339 HA LEU 40 HA LEU 43 9.684 9.663 18.532 340 1HB LEU 40 1HB LEU 43 8.719 9.799 21.357 341 2HB LEU 40 2HB LEU 43 10.236 8.972 20.974 342 HG LEU 40 HG LEU 43 9.673 11.859 20.164 343 1HD1 LEU 40 1HD1 LEU 43 9.546 11.662 22.615 344 2HD1 LEU 40 2HD1 LEU 43 11.109 10.817 22.642 345 3HD1 LEU 40 3HD1 LEU 43 11.018 12.515 22.125 346 1HD2 LEU 40 1HD2 LEU 43 12.258 10.243 20.409 347 2HD2 LEU 40 2HD2 LEU 43 11.524 10.812 18.894 348 3HD2 LEU 40 3HD2 LEU 43 12.164 11.977 20.053 349 H LYS 41 H LYS 44 7.163 7.980 20.075 350 HA LYS 41 HA LYS 44 8.301 5.344 19.656 351 1HB LYS 41 1HB LYS 44 6.788 5.893 21.531 352 2HB LYS 41 2HB LYS 44 5.463 6.166 20.397 353 1HG LYS 41 1HG LYS 44 5.311 4.000 21.533 354 2HG LYS 41 2HG LYS 44 5.433 3.799 19.788 355 1HD LYS 41 1HD LYS 44 7.813 3.164 19.984 356 2HD LYS 41 2HD LYS 44 7.795 3.558 21.714 357 1HE LYS 41 1HE LYS 44 7.653 1.141 21.388 358 2HE LYS 41 2HE LYS 44 6.147 1.735 22.106 359 1HZ LYS 41 2HZ LYS 44 6.571 1.145 19.255 360 2HZ LYS 41 3HZ LYS 44 5.767 0.185 20.327 361 3HZ LYS 41 1HZ LYS 44 5.160 1.664 19.930 362 H GLY 42 H GLY 45 8.719 6.101 17.317 363 1HA GLY 42 1HA GLY 45 6.485 5.814 15.431 364 2HA GLY 42 2HA GLY 45 8.202 6.077 15.065 365 HA PRO 43 HA PRO 46 7.028 1.528 14.418 366 1HB PRO 43 1HB PRO 46 7.351 1.405 11.684 367 2HB PRO 43 2HB PRO 46 5.814 1.816 12.495 368 1HG PRO 43 1HG PRO 46 7.819 3.712 11.275 369 2HG PRO 43 2HG PRO 46 6.042 3.749 11.154 370 1HD PRO 43 1HD PRO 46 7.474 5.302 12.915 371 2HD PRO 43 2HD PRO 46 5.839 4.703 13.310 372 NH1 ARG 44 NH2 ARG 47 11.614 4.046 6.774 373 NH2 ARG 44 NH1 ARG 47 9.507 5.008 6.820 374 H ARG 44 H ARG 47 9.514 3.750 13.284 375 HA ARG 44 HA ARG 47 11.646 1.757 13.772 376 1HB ARG 44 1HB ARG 47 12.886 3.279 12.005 377 2HB ARG 44 2HB ARG 47 11.940 1.857 11.541 378 1HG ARG 44 1HG ARG 47 10.022 3.214 11.013 379 2HG ARG 44 2HG ARG 47 10.871 4.701 11.512 380 1HD ARG 44 1HD ARG 47 12.478 4.345 9.642 381 2HD ARG 44 2HD ARG 47 11.690 2.799 9.270 382 HE ARG 44 HE ARG 47 9.793 4.971 9.272 383 1HH1 ARG 44 1HH2 ARG 47 12.421 3.688 7.263 384 2HH1 ARG 44 2HH2 ARG 47 11.636 4.135 5.759 385 1HH2 ARG 44 1HH1 ARG 47 8.686 5.323 7.332 386 2HH2 ARG 44 2HH1 ARG 47 9.427 4.979 5.804 387 H THR 45 H THR 48 13.183 2.606 15.284 388 HA THR 45 HA THR 48 12.509 4.868 16.650 389 HB THR 45 HB THR 48 14.755 2.916 16.823 No match found for entry HG1THR 45 390 1HG2 THR 45 2HG2 THR 48 14.615 5.479 18.443 391 2HG2 THR 45 3HG2 THR 48 15.587 4.046 18.820 392 3HG2 THR 45 1HG2 THR 48 15.951 4.976 17.375 393 H LEU 46 H LEU 49 13.587 6.740 17.003 394 HA LEU 46 HA LEU 49 14.241 8.262 14.680 395 1HB LEU 46 1HB LEU 49 13.528 9.214 16.830 396 2HB LEU 46 2HB LEU 49 15.087 8.845 17.566 397 HG LEU 46 HG LEU 49 14.966 10.509 15.027 398 1HD1 LEU 46 1HD1 LEU 49 13.287 11.489 16.580 399 2HD1 LEU 46 2HD1 LEU 49 14.533 11.604 17.838 400 3HD1 LEU 46 3HD1 LEU 49 14.680 12.547 16.336 401 1HD2 LEU 46 1HD2 LEU 49 16.822 10.563 17.453 402 2HD2 LEU 46 2HD2 LEU 49 17.226 9.911 15.852 403 3HD2 LEU 46 3HD2 LEU 49 16.930 11.636 16.045 404 H ASP 47 H ASP 50 16.350 6.874 17.194 405 HA ASP 47 HA ASP 50 18.757 7.336 15.889 406 1HB ASP 47 1HB ASP 50 18.646 6.813 18.276 407 2HB ASP 47 2HB ASP 50 18.166 5.146 17.904 408 H ASP 48 H ASP 51 16.505 4.690 15.637 409 HA ASP 48 HA ASP 51 18.074 2.791 14.220 410 1HB ASP 48 1HB ASP 51 16.158 2.036 15.358 411 2HB ASP 48 2HB ASP 51 15.098 3.278 14.711 412 H LEU 49 H LEU 52 15.481 4.978 12.962 413 HA LEU 49 HA LEU 52 16.127 4.513 10.265 414 1HB LEU 49 1HB LEU 52 14.702 6.358 9.698 415 2HB LEU 49 2HB LEU 52 14.009 5.341 10.957 416 HG LEU 49 HG LEU 52 15.042 7.182 12.572 417 1HD1 LEU 49 1HD1 LEU 52 16.017 8.559 10.661 418 2HD1 LEU 49 2HD1 LEU 52 14.356 8.825 10.114 419 3HD1 LEU 49 3HD1 LEU 52 14.879 9.427 11.698 420 1HD2 LEU 49 1HD2 LEU 52 12.447 7.482 11.026 421 2HD2 LEU 49 2HD2 LEU 52 12.695 6.539 12.506 422 3HD2 LEU 49 3HD2 LEU 52 12.835 8.303 12.552 423 H PHE 50 H PHE 53 17.272 7.044 12.553 424 HA PHE 50 HA PHE 53 18.875 8.582 10.872 425 1HB PHE 50 1HB PHE 53 18.806 9.205 13.211 426 2HB PHE 50 2HB PHE 53 19.186 7.587 13.685 427 HD1 PHE 50 HD2 PHE 53 21.138 9.588 11.184 428 HD2 PHE 50 HD1 PHE 53 21.078 7.574 14.994 429 HE1 PHE 50 HE2 PHE 53 23.544 9.831 11.337 430 HE2 PHE 50 HE1 PHE 53 23.531 7.740 15.103 431 HZ PHE 50 HZ PHE 53 24.791 8.854 13.271 432 H GLN 51 H GLN 54 19.883 5.581 12.627 433 HA GLN 51 HA GLN 54 22.349 5.567 11.274 434 1HB GLN 51 1HB GLN 54 21.869 4.560 13.508 435 2HB GLN 51 2HB GLN 54 20.979 3.240 12.748 436 1HG GLN 51 1HG GLN 54 23.864 3.813 11.931 437 2HG GLN 51 2HG GLN 54 23.532 3.042 13.479 438 1HE2 GLN 51 1HE2 GLN 54 22.971 0.838 10.068 439 2HE2 GLN 51 2HE2 GLN 54 23.125 2.584 9.928 440 H GLU 52 H GLU 55 19.332 3.735 10.553 441 HA GLU 52 HA GLU 55 20.522 2.107 8.572 442 1HB GLU 52 1HB GLU 55 18.472 1.366 8.018 443 2HB GLU 52 2HB GLU 55 18.098 2.040 9.602 444 1HG GLU 52 1HG GLU 55 17.295 4.134 8.358 445 2HG GLU 52 2HG GLU 55 17.513 3.243 6.851 446 H LEU 53 H LEU 56 19.330 5.434 8.443 447 HA LEU 53 HA LEU 56 19.706 5.765 5.595 448 1HB LEU 53 1HB LEU 56 19.466 7.717 7.903 449 2HB LEU 53 2HB LEU 56 19.534 8.171 6.195 450 HG LEU 53 HG LEU 56 17.431 6.208 7.187 451 1HD1 LEU 53 1HD1 LEU 56 17.383 8.424 8.544 452 2HD1 LEU 53 2HD1 LEU 56 16.873 9.176 7.015 453 3HD1 LEU 53 3HD1 LEU 56 15.905 7.884 7.744 454 1HD2 LEU 53 1HD2 LEU 56 17.591 8.187 4.901 455 2HD2 LEU 53 2HD2 LEU 56 17.715 6.420 4.771 456 3HD2 LEU 53 3HD2 LEU 56 16.181 7.173 5.260 457 H ASP 54 H ASP 57 21.608 6.769 8.454 458 HA ASP 54 HA ASP 57 23.928 7.828 7.018 459 1HB ASP 54 1HB ASP 57 23.132 8.514 9.291 460 2HB ASP 54 2HB ASP 57 23.459 6.887 9.883 461 H LYS 55 H LYS 58 23.792 5.784 5.617 462 HA LYS 55 HA LYS 58 24.525 3.247 6.194 463 1HB LYS 55 1HB LYS 58 24.026 4.212 3.968 464 2HB LYS 55 2HB LYS 58 25.633 4.956 3.928 465 1HG LYS 55 1HG LYS 58 26.666 2.675 4.013 466 2HG LYS 55 2HG LYS 58 25.041 1.963 4.049 467 1HD LYS 55 1HD LYS 58 24.536 2.995 1.850 468 2HD LYS 55 2HD LYS 58 26.139 3.758 1.831 469 1HE LYS 55 1HE LYS 58 27.208 1.505 1.873 470 2HE LYS 55 2HE LYS 58 25.602 0.749 1.869 471 1HZ LYS 55 1HZ LYS 58 25.198 1.781 -0.248 472 2HZ LYS 55 2HZ LYS 58 26.689 2.480 -0.240 473 3HZ LYS 55 3HZ LYS 58 26.550 0.841 -0.309 474 H ASN 56 H ASN 59 26.891 5.941 5.941 475 HA ASN 56 HA ASN 59 29.130 4.126 6.491 476 1HB ASN 56 1HB ASN 59 30.554 5.974 6.110 477 2HB ASN 56 2HB ASN 59 29.311 5.964 4.852 478 1HD2 ASN 56 1HD2 ASN 59 29.655 9.496 5.835 479 2HD2 ASN 56 2HD2 ASN 59 30.578 8.270 4.984 480 H GLY 57 H GLY 60 26.901 5.475 8.593 481 1HA GLY 57 1HA GLY 60 26.902 5.708 10.858 482 2HA GLY 57 2HA GLY 60 28.449 4.869 10.891 483 H ASP 58 H ASP 61 28.412 7.819 8.980 484 HA ASP 58 HA ASP 61 30.347 9.014 10.820 485 1HB ASP 58 1HB ASP 61 30.654 9.182 8.409 486 2HB ASP 58 2HB ASP 61 29.099 10.019 8.238 487 H GLY 59 H GLY 62 27.044 9.692 9.777 488 1HA GLY 59 1HA GLY 62 25.567 10.590 11.648 489 2HA GLY 59 2HA GLY 62 26.752 11.879 11.824 490 H GLU 60 H GLU 63 25.736 10.425 8.748 491 HA GLU 60 HA GLU 63 24.798 13.049 7.684 492 1HB GLU 60 1HB GLU 63 25.947 10.492 6.449 493 2HB GLU 60 2HB GLU 63 25.465 11.934 5.539 494 1HG GLU 60 1HG GLU 63 27.148 13.324 6.740 495 2HG GLU 60 2HG GLU 63 27.706 11.893 7.618 496 H VAL 61 H VAL 64 22.719 13.046 6.696 497 HA VAL 61 HA VAL 64 21.588 10.436 5.864 498 HB VAL 61 HB VAL 64 20.274 12.346 7.828 499 1HG1 VAL 61 2HG1 VAL 64 19.007 10.190 6.118 500 2HG1 VAL 61 3HG1 VAL 64 18.306 10.819 7.621 501 3HG1 VAL 61 1HG1 VAL 64 18.533 11.896 6.226 502 1HG2 VAL 61 1HG2 VAL 64 21.127 9.413 7.757 503 2HG2 VAL 61 2HG2 VAL 64 21.538 10.655 8.954 504 3HG2 VAL 61 3HG2 VAL 64 19.923 9.940 8.897 505 H SER 62 H SER 65 22.181 10.839 3.925 506 HA SER 62 HA SER 65 21.806 13.255 2.454 507 1HB SER 62 1HB SER 65 22.406 10.461 1.529 508 2HB SER 62 2HB SER 65 22.822 11.977 0.689 509 HG SER 62 HG SER 65 24.533 10.934 1.964 510 H PHE 63 H PHE 66 20.570 13.463 0.472 511 HA PHE 63 HA PHE 66 17.856 12.897 0.693 512 1HB PHE 63 1HB PHE 66 18.811 14.652 -0.756 513 2HB PHE 63 2HB PHE 66 19.430 13.428 -1.855 514 HD1 PHE 63 HD1 PHE 66 16.262 14.706 -0.281 515 HD2 PHE 63 HD2 PHE 66 17.993 12.502 -3.561 516 HE1 PHE 63 HE1 PHE 66 14.030 14.507 -1.325 517 HE2 PHE 63 HE2 PHE 66 15.749 12.268 -4.580 518 HZ PHE 63 HZ PHE 66 13.762 13.270 -3.469 519 H GLU 64 H GLU 67 20.235 11.089 -1.387 520 HA GLU 64 HA GLU 67 18.311 9.357 -2.457 521 1HB GLU 64 1HB GLU 67 20.087 7.969 -3.169 522 2HB GLU 64 2HB GLU 67 20.527 9.652 -3.431 523 1HG GLU 64 1HG GLU 67 21.521 7.922 -1.116 524 2HG GLU 64 2HG GLU 67 22.371 8.149 -2.641 525 H GLU 65 H GLU 68 19.949 9.257 0.653 526 HA GLU 65 HA GLU 68 19.125 6.554 1.332 527 1HB GLU 65 1HB GLU 68 20.099 8.816 3.136 528 2HB GLU 65 2HB GLU 68 20.050 7.102 3.544 529 1HG GLU 65 1HG GLU 68 21.719 6.542 1.906 530 2HG GLU 65 2HG GLU 68 21.741 8.176 1.242 531 H PHE 66 H PHE 69 18.145 9.853 2.223 532 HA PHE 66 HA PHE 69 16.031 9.579 3.915 533 1HB PHE 66 1HB PHE 69 17.053 11.684 3.119 534 2HB PHE 66 2HB PHE 69 16.202 11.508 1.591 535 HD1 PHE 66 HD2 PHE 69 15.568 11.839 5.269 536 HD2 PHE 66 HD1 PHE 69 14.167 12.586 1.257 537 HE1 PHE 66 HE2 PHE 69 13.722 13.237 6.165 538 HE2 PHE 66 HE1 PHE 69 12.340 13.992 2.162 539 HZ PHE 66 HZ PHE 69 12.087 14.287 4.618 540 H GLN 67 H GLN 70 15.908 8.944 0.427 541 HA GLN 67 HA GLN 70 13.194 8.801 -0.081 542 1HB GLN 67 1HB GLN 70 15.360 6.847 -0.950 543 2HB GLN 67 2HB GLN 70 13.747 6.958 -1.672 544 1HG GLN 67 1HG GLN 70 14.162 9.306 -2.324 545 2HG GLN 67 2HG GLN 70 15.792 9.223 -1.648 546 1HE2 GLN 67 1HE2 GLN 70 16.983 6.928 -4.222 547 2HE2 GLN 67 2HE2 GLN 70 17.067 7.131 -2.472 548 H VAL 68 H VAL 71 15.143 6.249 1.626 549 HA VAL 68 HA VAL 71 12.889 4.462 1.747 550 HB VAL 68 HB VAL 71 15.365 3.870 1.917 551 1HG1 VAL 68 1HG1 VAL 71 15.862 5.379 3.861 552 2HG1 VAL 68 2HG1 VAL 71 14.898 4.318 4.902 553 3HG1 VAL 68 3HG1 VAL 71 16.358 3.699 4.111 554 1HG2 VAL 68 2HG2 VAL 71 13.542 2.231 2.131 555 2HG2 VAL 68 3HG2 VAL 71 14.889 1.853 3.217 556 3HG2 VAL 68 1HG2 VAL 71 13.412 2.583 3.869 557 H LEU 69 H LEU 72 13.795 7.224 3.671 558 HA LEU 69 HA LEU 72 12.125 6.499 5.956 559 1HB LEU 69 1HB LEU 72 14.112 7.849 6.302 560 2HB LEU 69 2HB LEU 72 13.537 9.079 5.174 561 HG LEU 69 HG LEU 72 11.633 9.583 6.641 562 1HD1 LEU 69 2HD1 LEU 72 12.930 7.571 8.525 563 2HD1 LEU 69 3HD1 LEU 72 11.678 8.740 9.000 564 3HD1 LEU 69 1HD1 LEU 72 11.301 7.470 7.833 565 1HD2 LEU 69 2HD2 LEU 72 13.727 10.841 6.761 566 2HD2 LEU 69 3HD2 LEU 72 12.879 10.774 8.308 567 3HD2 LEU 69 1HD2 LEU 72 14.319 9.760 8.031 568 H VAL 70 H VAL 73 12.031 8.799 3.213 569 HA VAL 70 HA VAL 73 9.535 9.988 3.589 570 HB VAL 70 HB VAL 73 11.017 9.090 1.072 571 1HG1 VAL 70 2HG1 VAL 73 8.420 10.648 1.173 572 2HG1 VAL 70 3HG1 VAL 73 9.527 10.648 -0.217 573 3HG1 VAL 70 1HG1 VAL 73 8.752 9.145 0.293 574 1HG2 VAL 70 2HG2 VAL 73 11.984 10.890 2.501 575 2HG2 VAL 70 3HG2 VAL 73 11.565 11.444 0.871 576 3HG2 VAL 70 1HG2 VAL 73 10.513 11.850 2.248 577 H LYS 71 H LYS 74 10.170 6.762 2.206 578 HA LYS 71 HA LYS 74 7.432 6.128 1.631 579 1HB LYS 71 1HB LYS 74 9.814 4.371 2.348 580 2HB LYS 71 2HB LYS 74 8.275 3.751 1.750 581 1HG LYS 71 1HG LYS 74 10.012 5.721 0.192 582 2HG LYS 71 2HG LYS 74 10.134 3.966 0.062 583 1HD LYS 71 1HD LYS 74 7.772 3.837 -0.699 584 2HD LYS 71 2HD LYS 74 7.612 5.594 -0.531 585 1HE LYS 71 1HE LYS 74 7.987 5.047 -2.861 586 2HE LYS 71 2HE LYS 74 9.376 5.946 -2.231 587 1HZ LYS 71 2HZ LYS 74 9.236 3.026 -2.562 588 2HZ LYS 71 3HZ LYS 74 10.018 4.073 -3.567 589 3HZ LYS 71 1HZ LYS 74 10.541 3.875 -2.019 590 H LYS 72 H LYS 75 6.183 6.847 3.315 591 HA LYS 72 HA LYS 75 5.010 6.901 5.187 592 1HB LYS 72 1HB LYS 75 5.932 4.035 5.357 593 2HB LYS 72 2HB LYS 75 4.699 4.766 6.388 594 1HG LYS 72 1HG LYS 75 3.427 3.703 4.781 595 2HG LYS 72 2HG LYS 75 3.422 5.394 4.283 596 1HD LYS 72 1HD LYS 75 3.595 3.881 2.385 597 2HD LYS 72 2HD LYS 75 5.038 4.881 2.474 598 1HE LYS 72 1HE LYS 75 6.310 2.979 3.460 599 2HE LYS 72 2HE LYS 75 4.826 2.014 3.526 600 1HZ LYS 72 2HZ LYS 75 6.107 3.031 1.089 601 2HZ LYS 72 3HZ LYS 75 6.173 1.481 1.647 602 3HZ LYS 72 1HZ LYS 75 4.736 2.115 1.147 603 H ILE 73 H ILE 76 6.901 8.397 5.613 604 HA ILE 73 HA ILE 76 8.990 8.175 7.286 605 HB ILE 73 HB ILE 76 6.908 10.351 7.169 606 1HG1 ILE 73 1HG1 ILE 76 9.627 10.011 5.982 607 2HG1 ILE 73 2HG1 ILE 76 8.048 10.070 5.191 608 1HG2 ILE 73 1HG2 ILE 76 8.018 10.442 9.454 609 2HG2 ILE 73 2HG2 ILE 76 9.592 10.453 8.634 610 3HG2 ILE 73 3HG2 ILE 76 8.452 11.803 8.448 611 1HD1 ILE 73 1HD1 ILE 76 7.819 12.455 5.966 612 2HD1 ILE 73 2HD1 ILE 76 9.497 12.370 6.560 613 3HD1 ILE 73 3HD1 ILE 76 9.161 12.172 4.842 614 H SER 74 H SER 77 5.721 8.637 8.884 615 HA SER 74 HA SER 77 6.390 6.556 10.727 616 1HB SER 74 1HB SER 77 7.942 8.288 11.673 617 2HB SER 74 2HB SER 77 6.564 9.403 11.838 618 HG SER 74 HG SER 77 7.091 8.224 13.775 619 H GLN 75 H GLN 78 4.729 5.893 11.958 620 HA GLN 75 HA GLN 78 2.366 7.212 12.603 621 1HB GLN 75 1HB GLN 78 0.829 5.926 11.016 622 2HB GLN 75 2HB GLN 78 1.616 7.385 10.443 623 1HG GLN 75 1HG GLN 78 3.433 5.907 9.426 624 2HG GLN 75 2HG GLN 78 2.443 4.522 9.881 625 1HE2 GLN 75 1HE2 GLN 78 0.365 4.939 6.993 626 2HE2 GLN 75 2HE2 GLN 78 0.852 3.915 8.328 No H/Q in entry = 627 Start of MODEL 4 Raw file had 628 H/Q atoms Start of MODEL 4 1 1H SER -2 2H SER 1 -4.401 20.057 1.901 2 2H SER -2 3H SER 1 -5.991 20.534 1.875 3 3H SER -2 1H SER 1 -4.972 20.994 3.144 4 HA SER -2 HA SER 1 -6.305 19.318 3.975 5 1HB SER -2 1HB SER 1 -5.856 17.704 1.438 6 2HB SER -2 2HB SER 1 -7.197 17.599 2.608 7 HG SER -2 HG SER 1 -7.804 18.824 0.747 8 H ALA -1 H ALA 2 -5.583 16.618 4.135 9 HA ALA -1 HA ALA 2 -2.781 16.773 5.032 10 1HB ALA -1 2HB ALA 2 -4.832 14.521 5.119 11 2HB ALA -1 3HB ALA 2 -3.239 14.525 5.904 12 3HB ALA -1 1HB ALA 2 -4.483 15.676 6.426 13 H GLN 0 H GLN 3 -2.376 17.287 2.578 14 HA GLN 0 HA GLN 3 -2.074 14.762 1.009 15 1HB GLN 0 1HB GLN 3 -2.084 15.958 -0.960 16 2HB GLN 0 2HB GLN 3 -3.420 16.592 -0.004 17 1HG GLN 0 1HG GLN 3 -0.723 17.951 -0.508 18 2HG GLN 0 2HG GLN 3 -2.267 18.343 -1.253 19 1HE2 GLN 0 1HE2 GLN 3 -1.437 19.694 2.529 20 2HE2 GLN 0 2HE2 GLN 3 -0.387 18.521 1.736 21 H LYS 1 H LYS 4 -0.118 14.026 0.352 22 HA LYS 1 HA LYS 4 2.334 15.481 1.256 23 1HB LYS 1 1HB LYS 4 1.919 12.503 0.789 24 2HB LYS 1 2HB LYS 4 3.351 13.274 1.462 25 1HG LYS 1 1HG LYS 4 0.579 13.062 2.729 26 2HG LYS 1 2HG LYS 4 2.029 12.189 3.205 27 1HD LYS 1 1HD LYS 4 1.572 15.198 3.487 28 2HD LYS 1 2HD LYS 4 1.541 13.990 4.774 29 1HE LYS 1 1HE LYS 4 3.954 13.447 4.286 30 2HE LYS 1 2HE LYS 4 3.970 14.776 3.107 31 1HZ LYS 1 1HZ LYS 4 3.405 16.272 4.875 32 2HZ LYS 1 2HZ LYS 4 3.405 15.042 5.972 33 3HZ LYS 1 3HZ LYS 4 4.802 15.469 5.212 34 H SER 2 H SER 5 4.127 15.446 -0.261 35 HA SER 2 HA SER 5 3.684 14.313 -2.913 36 1HB SER 2 1HB SER 5 3.953 17.324 -2.585 37 2HB SER 2 2HB SER 5 3.908 16.423 -4.111 38 HG SER 2 HG SER 5 1.782 15.637 -2.849 39 HA PRO 3 HA PRO 6 8.058 13.736 -2.118 40 1HB PRO 3 1HB PRO 6 8.187 13.885 -5.148 41 2HB PRO 3 2HB PRO 6 9.043 12.768 -4.047 42 1HG PRO 3 1HG PRO 6 6.796 11.943 -5.316 43 2HG PRO 3 2HG PRO 6 7.011 11.583 -3.576 44 1HD PRO 3 1HD PRO 6 5.338 13.768 -4.835 45 2HD PRO 3 2HD PRO 6 4.970 12.668 -3.468 46 H ALA 4 H ALA 7 7.290 16.058 -4.782 47 HA ALA 4 HA ALA 7 9.613 17.588 -4.569 48 1HB ALA 4 1HB ALA 7 8.035 17.740 -6.471 49 2HB ALA 4 2HB ALA 7 6.833 18.506 -5.407 50 3HB ALA 4 3HB ALA 7 8.355 19.342 -5.778 51 H GLU 5 H GLU 8 6.690 17.879 -2.862 52 HA GLU 5 HA GLU 8 7.311 20.351 -1.493 53 1HB GLU 5 1HB GLU 8 4.979 19.532 -1.744 54 2HB GLU 5 2HB GLU 8 5.330 18.180 -0.649 55 1HG GLU 5 1HG GLU 8 4.161 19.971 0.527 56 2HG GLU 5 2HG GLU 8 5.783 19.767 1.187 57 H LEU 6 H LEU 9 7.446 16.890 -0.524 58 HA LEU 6 HA LEU 9 8.689 17.379 1.978 59 1HB LEU 6 1HB LEU 9 8.796 14.947 0.162 60 2HB LEU 6 2HB LEU 9 9.463 14.965 1.797 61 HG LEU 6 HG LEU 9 6.524 15.484 1.135 62 1HD1 LEU 6 1HD1 LEU 9 7.258 13.144 0.677 63 2HD1 LEU 6 2HD1 LEU 9 7.869 13.043 2.348 64 3HD1 LEU 6 3HD1 LEU 9 6.132 13.245 2.043 65 1HD2 LEU 6 1HD2 LEU 9 8.050 15.202 3.769 66 2HD2 LEU 6 2HD2 LEU 9 7.060 16.582 3.238 67 3HD2 LEU 6 3HD2 LEU 9 6.294 15.047 3.642 68 H LYS 7 H LYS 10 10.017 17.042 -1.124 69 HA LYS 7 HA LYS 10 12.791 17.044 -0.367 70 1HB LYS 7 1HB LYS 10 11.876 16.385 -2.642 71 2HB LYS 7 2HB LYS 10 11.719 18.115 -3.001 72 1HG LYS 7 1HG LYS 10 14.163 18.381 -2.482 73 2HG LYS 7 2HG LYS 10 14.276 16.630 -2.225 74 1HD LYS 7 1HD LYS 10 13.491 16.252 -4.564 75 2HD LYS 7 2HD LYS 10 13.457 18.005 -4.829 76 1HE LYS 7 1HE LYS 10 15.925 16.348 -4.098 77 2HE LYS 7 2HE LYS 10 15.534 16.968 -5.712 78 1HZ LYS 7 1HZ LYS 10 15.660 19.190 -4.814 79 2HZ LYS 7 2HZ LYS 10 16.080 18.604 -3.335 80 3HZ LYS 7 3HZ LYS 10 17.083 18.380 -4.622 81 H SER 8 H SER 11 10.576 19.691 -1.413 82 HA SER 8 HA SER 11 12.371 21.843 -1.107 83 1HB SER 8 1HB SER 11 9.361 21.849 -0.578 84 2HB SER 8 2HB SER 11 10.386 23.255 -0.896 85 HG SER 8 HG SER 11 9.925 21.073 -2.672 86 H ILE 9 H ILE 12 10.147 20.371 1.296 87 HA ILE 9 HA ILE 12 10.850 22.062 3.481 88 HB ILE 9 HB ILE 12 9.713 19.250 3.301 89 1HG1 ILE 9 1HG1 ILE 12 8.402 21.859 4.180 90 2HG1 ILE 9 2HG1 ILE 12 8.421 21.333 2.496 91 1HG2 ILE 9 2HG2 ILE 12 10.261 20.943 5.770 92 2HG2 ILE 9 3HG2 ILE 12 9.069 19.634 5.747 93 3HG2 ILE 9 1HG2 ILE 12 10.754 19.261 5.435 94 1HD1 ILE 9 1HD1 ILE 12 7.272 19.222 3.128 95 2HD1 ILE 9 2HD1 ILE 12 7.108 19.825 4.791 96 3HD1 ILE 9 3HD1 ILE 12 6.326 20.685 3.461 97 H PHE 10 H PHE 13 12.053 18.792 2.626 98 HA PHE 10 HA PHE 13 14.037 18.417 4.524 99 1HB PHE 10 1HB PHE 13 13.364 16.716 2.987 100 2HB PHE 10 2HB PHE 13 13.843 17.664 1.598 101 HD1 PHE 10 HD1 PHE 13 16.277 18.120 1.092 102 HD2 PHE 10 HD2 PHE 13 14.917 15.152 3.920 103 HE1 PHE 10 HE1 PHE 13 18.410 16.943 0.881 104 HE2 PHE 10 HE2 PHE 13 17.043 13.918 3.624 105 HZ PHE 10 HZ PHE 13 18.759 14.763 2.067 106 H GLU 11 H GLU 14 14.376 20.128 1.384 107 HA GLU 11 HA GLU 14 17.089 20.779 1.508 108 1HB GLU 11 1HB GLU 14 14.758 22.177 0.201 109 2HB GLU 11 2HB GLU 14 16.415 22.781 0.086 110 1HG GLU 11 1HG GLU 14 17.205 20.723 -0.910 111 2HG GLU 11 2HG GLU 14 15.642 19.938 -0.692 112 H LYS 12 H LYS 15 14.356 22.417 3.156 113 HA LYS 12 HA LYS 15 15.640 24.796 3.803 114 1HB LYS 12 1HB LYS 15 13.224 24.250 4.188 115 2HB LYS 12 2HB LYS 15 13.698 23.245 5.565 116 1HG LYS 12 1HG LYS 15 12.872 25.356 6.320 117 2HG LYS 12 2HG LYS 15 14.573 25.193 6.762 118 1HD LYS 12 1HD LYS 15 15.258 26.683 4.947 119 2HD LYS 12 2HD LYS 15 13.607 26.740 4.304 120 1HE LYS 12 1HE LYS 15 14.470 27.771 7.053 121 2HE LYS 12 2HE LYS 15 14.265 28.772 5.607 122 1HZ LYS 12 1HZ LYS 15 11.968 28.113 5.547 123 2HZ LYS 12 2HZ LYS 15 12.149 27.222 6.923 124 3HZ LYS 12 3HZ LYS 15 12.342 28.855 6.969 125 OH TYR 13 OH TYR 16 11.252 20.569 8.832 126 H TYR 13 H TYR 16 15.791 21.679 5.539 127 HA TYR 13 HA TYR 16 17.644 22.811 7.551 128 1HB TYR 13 1HB TYR 16 17.083 19.898 7.463 129 2HB TYR 13 2HB TYR 16 17.365 20.961 8.827 130 HD1 TYR 13 HD2 TYR 16 14.910 19.952 6.237 131 HD2 TYR 13 HD1 TYR 16 15.504 21.224 10.274 132 HE1 TYR 13 HE2 TYR 16 12.531 19.743 6.649 133 HE2 TYR 13 HE1 TYR 16 13.066 21.308 10.623 134 HH TYR 13 HH TYR 16 10.990 20.863 9.707 135 H ALA 14 H ALA 17 17.637 20.351 4.920 136 HA ALA 14 HA ALA 17 20.241 19.417 5.192 137 1HB ALA 14 2HB ALA 17 18.568 19.823 2.671 138 2HB ALA 14 3HB ALA 17 20.001 18.822 2.685 139 3HB ALA 14 1HB ALA 17 18.628 18.362 3.671 140 H ALA 15 H ALA 18 19.138 22.316 3.444 141 HA ALA 15 HA ALA 18 21.557 23.098 2.276 142 1HB ALA 15 2HB ALA 18 19.302 24.815 3.367 143 2HB ALA 15 3HB ALA 18 20.579 25.361 2.260 144 3HB ALA 15 1HB ALA 18 19.427 24.123 1.730 145 H LYS 16 H LYS 19 20.593 23.297 5.708 146 HA LYS 16 HA LYS 19 22.525 25.373 6.343 147 1HB LYS 16 1HB LYS 19 21.122 23.522 8.296 148 2HB LYS 16 2HB LYS 19 21.869 25.093 8.600 149 1HG LYS 16 1HG LYS 19 20.132 26.070 6.967 150 2HG LYS 16 2HG LYS 19 19.339 24.483 7.038 151 1HD LYS 16 1HD LYS 19 19.378 24.752 9.614 152 2HD LYS 16 2HD LYS 19 19.793 26.447 9.314 153 1HE LYS 16 1HE LYS 19 17.249 24.944 8.568 154 2HE LYS 16 2HE LYS 19 17.416 26.355 9.620 155 1HZ LYS 16 1HZ LYS 19 18.117 27.574 7.609 156 2HZ LYS 16 2HZ LYS 19 17.750 26.230 6.712 157 3HZ LYS 16 3HZ LYS 19 16.566 27.013 7.540 158 H GLU 17 H GLU 20 22.283 21.885 7.260 159 HA GLU 17 HA GLU 20 25.250 21.712 7.155 160 1HB GLU 17 1HB GLU 20 23.610 20.750 9.517 161 2HB GLU 17 2HB GLU 20 25.337 20.503 9.244 162 1HG GLU 17 1HG GLU 20 23.970 23.213 9.667 163 2HG GLU 17 2HG GLU 20 24.855 22.305 10.892 164 H GLY 18 H GLY 21 25.790 20.117 5.960 165 1HA GLY 18 1HA GLY 21 25.741 17.608 5.754 166 2HA GLY 18 2HA GLY 21 23.982 17.744 5.562 167 H ASP 19 H ASP 22 24.094 20.217 4.111 168 HA ASP 19 HA ASP 22 24.826 21.199 2.140 169 1HB ASP 19 1HB ASP 22 25.186 18.390 0.971 170 2HB ASP 19 2HB ASP 22 25.320 19.888 0.078 171 HA PRO 20 HA PRO 23 20.590 21.305 1.198 172 1HB PRO 20 1HB PRO 23 21.095 21.470 -1.738 173 2HB PRO 20 2HB PRO 23 20.103 22.517 -0.662 174 1HG PRO 20 1HG PRO 23 22.583 23.304 -1.522 175 2HG PRO 20 2HG PRO 23 21.962 23.698 0.100 176 1HD PRO 20 1HD PRO 23 23.939 21.583 -0.688 177 2HD PRO 20 2HD PRO 23 23.879 22.609 0.775 178 H ASN 21 H ASN 24 22.361 18.736 -0.419 179 HA ASN 21 HA ASN 24 19.841 17.303 -0.988 180 1HB ASN 21 1HB ASN 24 21.215 15.842 -2.342 181 2HB ASN 21 2HB ASN 24 21.650 17.508 -2.744 182 1HD2 ASN 21 1HD2 ASN 24 24.569 15.060 -1.521 183 2HD2 ASN 21 2HD2 ASN 24 23.018 14.518 -2.136 184 H GLN 22 H GLN 25 21.630 17.571 1.815 185 HA GLN 22 HA GLN 25 20.838 14.831 2.560 186 1HB GLN 22 1HB GLN 25 23.336 15.961 3.789 187 2HB GLN 22 2HB GLN 25 22.868 14.298 3.603 188 1HG GLN 22 1HG GLN 25 23.337 14.553 1.053 189 2HG GLN 22 2HG GLN 25 24.131 16.083 1.457 190 1HE2 GLN 22 1HE2 GLN 25 26.967 14.435 3.017 191 2HE2 GLN 22 2HE2 GLN 25 26.042 15.937 2.987 192 H LEU 23 H LEU 26 20.649 14.359 4.741 193 HA LEU 23 HA LEU 26 20.740 16.804 6.329 194 1HB LEU 23 1HB LEU 26 18.902 14.339 6.576 195 2HB LEU 23 2HB LEU 26 18.983 15.560 7.847 196 HG LEU 23 HG LEU 26 18.067 16.252 5.025 197 1HD1 LEU 23 2HD1 LEU 26 16.427 15.455 7.467 198 2HD1 LEU 23 3HD1 LEU 26 15.794 16.090 5.938 199 3HD1 LEU 23 1HD1 LEU 26 16.592 14.505 5.982 200 1HD2 LEU 23 2HD2 LEU 26 18.832 18.114 6.515 201 2HD2 LEU 23 3HD2 LEU 26 17.111 18.166 6.076 202 3HD2 LEU 23 1HD2 LEU 26 17.603 17.607 7.696 203 H SER 24 H SER 27 21.983 16.971 7.939 204 HA SER 24 HA SER 27 23.571 14.672 8.805 205 1HB SER 24 1HB SER 27 23.487 17.510 9.950 206 2HB SER 24 2HB SER 27 24.775 16.302 10.134 207 HG SER 24 HG SER 27 23.978 17.701 7.797 208 H LYS 25 H LYS 28 23.498 14.105 11.222 209 HA LYS 25 HA LYS 28 21.019 13.424 12.121 210 1HB LYS 25 1HB LYS 28 23.369 12.791 13.027 211 2HB LYS 25 2HB LYS 28 23.199 14.184 14.089 212 1HG LYS 25 1HG LYS 28 20.998 13.149 14.930 213 2HG LYS 25 2HG LYS 28 21.300 11.800 13.835 214 1HD LYS 25 1HD LYS 28 22.097 10.880 15.739 215 2HD LYS 25 2HD LYS 28 23.596 11.580 15.134 216 1HE LYS 25 1HE LYS 28 21.729 12.757 17.263 217 2HE LYS 25 2HE LYS 28 23.294 11.985 17.550 218 1HZ LYS 25 1HZ LYS 28 24.315 13.748 16.281 219 2HZ LYS 25 2HZ LYS 28 22.852 14.486 16.089 220 3HZ LYS 25 3HZ LYS 28 23.503 14.329 17.593 221 H GLU 26 H GLU 29 22.676 16.471 13.057 222 HA GLU 26 HA GLU 29 20.720 17.379 14.891 223 1HB GLU 26 1HB GLU 29 22.536 19.001 13.046 224 2HB GLU 26 2HB GLU 29 21.664 19.627 14.451 225 1HG GLU 26 1HG GLU 29 22.911 18.110 15.947 226 2HG GLU 26 2HG GLU 29 23.800 17.439 14.570 227 H GLU 27 H GLU 30 20.992 17.960 11.367 228 HA GLU 27 HA GLU 30 18.671 19.667 11.220 229 1HB GLU 27 1HB GLU 30 20.123 18.089 9.046 230 2HB GLU 27 2HB GLU 30 18.959 19.384 8.789 231 1HG GLU 27 1HG GLU 30 21.698 19.627 10.071 232 2HG GLU 27 2HG GLU 30 21.139 20.342 8.554 233 H LEU 28 H LEU 31 19.203 16.193 10.612 234 HA LEU 28 HA LEU 31 16.531 15.713 9.758 235 1HB LEU 28 1HB LEU 31 17.225 13.605 9.473 236 2HB LEU 28 2HB LEU 31 18.810 14.267 9.876 237 HG LEU 28 HG LEU 31 18.460 13.529 12.257 238 1HD1 LEU 28 2HD1 LEU 31 16.124 12.021 10.975 239 2HD1 LEU 28 3HD1 LEU 31 16.931 11.497 12.465 240 3HD1 LEU 28 1HD1 LEU 31 16.064 13.019 12.444 241 1HD2 LEU 28 2HD2 LEU 31 19.822 12.421 10.468 242 2HD2 LEU 28 3HD2 LEU 31 19.229 11.409 11.796 243 3HD2 LEU 28 1HD2 LEU 31 18.441 11.340 10.188 244 H LYS 29 H LYS 32 18.073 15.448 12.967 245 HA LYS 29 HA LYS 32 15.876 14.628 14.474 246 1HB LYS 29 1HB LYS 32 18.131 14.898 15.462 247 2HB LYS 29 2HB LYS 32 18.072 16.628 15.184 248 1HG LYS 29 1HG LYS 32 17.635 16.171 17.514 249 2HG LYS 29 2HG LYS 32 16.247 16.936 16.743 250 1HD LYS 29 1HD LYS 32 15.570 15.169 18.287 251 2HD LYS 29 2HD LYS 32 15.065 14.737 16.659 252 1HE LYS 29 1HE LYS 32 17.666 13.681 17.861 253 2HE LYS 29 2HE LYS 32 16.108 12.938 18.236 254 1HZ LYS 29 1HZ LYS 32 15.751 12.538 15.931 255 2HZ LYS 29 2HZ LYS 32 17.206 13.198 15.537 256 3HZ LYS 29 3HZ LYS 32 17.145 11.829 16.442 257 H GLN 30 H GLN 33 16.841 18.020 13.728 258 HA GLN 30 HA GLN 33 14.656 19.217 14.962 259 1HB GLN 30 1HB GLN 33 16.316 20.044 12.543 260 2HB GLN 30 2HB GLN 33 15.040 21.093 13.175 261 1HG GLN 30 1HG GLN 33 16.108 21.377 15.270 262 2HG GLN 30 2HG GLN 33 17.228 20.037 14.994 263 1HE2 GLN 30 1HE2 GLN 33 19.494 21.823 12.903 264 2HE2 GLN 30 2HE2 GLN 33 18.849 20.249 13.368 265 H LEU 31 H LEU 34 14.987 18.225 11.495 266 HA LEU 31 HA LEU 34 12.423 18.797 10.600 267 1HB LEU 31 1HB LEU 34 14.320 17.983 9.225 268 2HB LEU 31 2HB LEU 34 14.074 16.355 9.830 269 HG LEU 31 HG LEU 34 11.916 17.863 8.319 270 1HD1 LEU 31 1HD1 LEU 34 14.043 17.576 6.969 271 2HD1 LEU 31 2HD1 LEU 34 13.897 15.828 7.237 272 3HD1 LEU 31 3HD1 LEU 34 12.652 16.698 6.317 273 1HD2 LEU 31 1HD2 LEU 34 12.353 14.918 8.998 274 2HD2 LEU 31 2HD2 LEU 34 10.943 15.916 9.429 275 3HD2 LEU 31 3HD2 LEU 34 11.217 15.466 7.758 276 H ILE 32 H ILE 35 13.395 15.847 12.007 277 HA ILE 32 HA ILE 35 10.886 14.531 12.052 278 HB ILE 32 HB ILE 35 13.177 14.197 14.023 279 1HG1 ILE 32 1HG1 ILE 35 13.944 13.597 11.824 280 2HG1 ILE 32 2HG1 ILE 35 13.705 12.139 12.768 281 1HG2 ILE 32 2HG2 ILE 35 10.666 12.547 13.634 282 2HG2 ILE 32 3HG2 ILE 35 12.128 11.924 14.428 283 3HG2 ILE 32 1HG2 ILE 35 11.272 13.304 15.118 284 1HD1 ILE 32 1HD1 ILE 35 11.522 11.827 11.510 285 2HD1 ILE 32 2HD1 ILE 35 11.963 13.245 10.535 286 3HD1 ILE 32 3HD1 ILE 35 12.989 11.810 10.514 287 H GLN 33 H GLN 36 12.342 16.310 14.572 288 HA GLN 33 HA GLN 36 10.207 16.226 16.464 289 1HB GLN 33 1HB GLN 36 12.398 18.291 16.040 290 2HB GLN 33 2HB GLN 36 11.253 18.361 17.390 291 1HG GLN 33 1HG GLN 36 11.943 16.173 18.191 292 2HG GLN 33 2HG GLN 36 13.060 15.977 16.836 293 1HE2 GLN 33 1HE2 GLN 36 14.641 17.496 20.058 294 2HE2 GLN 33 2HE2 GLN 36 13.372 16.290 19.950 295 H ALA 34 H ALA 37 10.888 18.605 13.886 296 HA ALA 34 HA ALA 37 8.723 20.357 14.575 297 1HB ALA 34 1HB ALA 37 10.694 21.088 13.311 298 2HB ALA 34 2HB ALA 37 10.250 20.022 11.960 299 3HB ALA 34 3HB ALA 37 9.203 21.391 12.394 300 H GLU 35 H GLU 38 9.033 17.796 12.053 301 HA GLU 35 HA GLU 38 6.274 18.306 11.179 302 1HB GLU 35 1HB GLU 38 8.331 16.318 10.177 303 2HB GLU 35 2HB GLU 38 6.738 16.661 9.478 304 1HG GLU 35 1HG GLU 38 7.470 19.077 9.197 305 2HG GLU 35 2HG GLU 38 9.112 18.549 9.609 306 H PHE 36 H PHE 39 7.975 15.440 12.681 307 HA PHE 36 HA PHE 39 5.387 14.436 13.599 308 1HB PHE 36 1HB PHE 39 5.754 12.266 12.124 309 2HB PHE 36 2HB PHE 39 4.820 13.652 11.625 310 HD1 PHE 36 HD2 PHE 39 8.542 12.903 11.512 311 HD2 PHE 36 HD1 PHE 39 4.990 14.069 9.355 312 HE1 PHE 36 HE2 PHE 39 9.914 13.461 9.532 313 HE2 PHE 36 HE1 PHE 39 6.378 14.622 7.384 314 HZ PHE 36 HZ PHE 39 8.849 14.426 7.508 315 HA PRO 37 HA PRO 40 8.999 12.818 15.942 316 1HB PRO 37 1HB PRO 40 8.013 13.348 18.493 317 2HB PRO 37 2HB PRO 40 9.020 14.480 17.549 318 1HG PRO 37 1HG PRO 40 5.998 14.412 17.743 319 2HG PRO 37 2HG PRO 40 7.076 15.833 17.888 320 1HD PRO 37 1HD PRO 40 5.816 15.300 15.568 321 2HD PRO 37 2HD PRO 40 7.523 15.821 15.541 322 H SER 38 H SER 41 5.633 12.572 16.036 323 HA SER 38 HA SER 41 5.221 10.108 17.443 324 1HB SER 38 1HB SER 41 2.914 10.505 16.215 325 2HB SER 38 2HB SER 41 3.459 11.634 17.467 326 HG SER 38 HG SER 41 2.787 12.719 15.535 327 H LEU 39 H LEU 42 6.965 10.319 14.671 328 HA LEU 39 HA LEU 42 5.611 8.558 12.901 329 1HB LEU 39 1HB LEU 42 7.707 8.309 11.762 330 2HB LEU 39 2HB LEU 42 7.437 9.980 12.237 331 HG LEU 39 HG LEU 42 8.984 9.430 14.294 332 1HD1 LEU 39 2HD1 LEU 42 9.789 7.202 12.349 333 2HD1 LEU 39 3HD1 LEU 42 10.768 7.765 13.714 334 3HD1 LEU 39 1HD1 LEU 42 9.236 6.963 14.014 335 1HD2 LEU 39 2HD2 LEU 42 9.531 10.928 12.418 336 2HD2 LEU 39 3HD2 LEU 42 10.949 9.994 12.932 337 3HD2 LEU 39 1HD2 LEU 42 10.072 9.544 11.452 338 H LEU 40 H LEU 43 6.964 7.868 15.956 339 HA LEU 40 HA LEU 43 7.858 5.166 15.547 340 1HB LEU 40 1HB LEU 43 6.918 6.575 18.073 341 2HB LEU 40 2HB LEU 43 7.921 5.120 18.006 342 HG LEU 40 HG LEU 43 8.802 7.856 16.949 343 1HD1 LEU 40 2HD1 LEU 43 9.402 6.480 19.597 344 2HD1 LEU 40 3HD1 LEU 43 10.155 7.976 19.005 345 3HD1 LEU 40 1HD1 LEU 43 8.421 7.944 19.369 346 1HD2 LEU 40 2HD2 LEU 43 9.991 5.866 15.953 347 2HD2 LEU 40 3HD2 LEU 43 11.026 6.885 16.961 348 3HD2 LEU 40 1HD2 LEU 43 10.409 5.349 17.599 349 H LYS 41 H LYS 44 5.481 5.111 14.235 350 HA LYS 41 HA LYS 44 3.283 4.205 15.945 351 1HB LYS 41 1HB LYS 44 3.645 4.254 12.921 352 2HB LYS 41 2HB LYS 44 2.140 3.878 13.784 353 1HG LYS 41 1HG LYS 44 2.166 6.131 14.826 354 2HG LYS 41 2HG LYS 44 3.668 6.515 13.969 355 1HD LYS 41 1HD LYS 44 2.542 6.265 11.792 356 2HD LYS 41 2HD LYS 44 1.044 5.778 12.602 357 1HE LYS 41 1HE LYS 44 0.929 8.137 11.934 358 2HE LYS 41 2HE LYS 44 0.879 7.990 13.698 359 1HZ LYS 41 2HZ LYS 44 3.267 8.652 12.117 360 2HZ LYS 41 3HZ LYS 44 2.341 9.730 12.951 361 3HZ LYS 41 1HZ LYS 44 3.189 8.577 13.765 362 H GLY 42 H GLY 45 5.027 2.684 16.858 363 1HA GLY 42 1HA GLY 45 4.848 0.297 17.252 364 2HA GLY 42 2HA GLY 45 4.854 -0.021 15.522 365 HA PRO 43 HA PRO 46 9.277 -0.283 15.449 366 1HB PRO 43 1HB PRO 46 9.439 2.027 13.500 367 2HB PRO 43 2HB PRO 46 10.202 0.415 13.398 368 1HG PRO 43 1HG PRO 46 7.977 0.965 11.951 369 2HG PRO 43 2HG PRO 46 8.090 -0.593 12.828 370 1HD PRO 43 1HD PRO 46 6.683 1.945 13.715 371 2HD PRO 43 2HD PRO 46 6.064 0.267 13.677 372 NH1 ARG 44 NH2 ARG 47 7.619 0.791 22.106 373 NH2 ARG 44 NH1 ARG 47 6.839 -0.068 20.099 374 H ARG 44 H ARG 47 10.164 0.366 17.393 375 HA ARG 44 HA ARG 47 10.060 3.115 18.279 376 1HB ARG 44 1HB ARG 47 10.123 0.670 19.548 377 2HB ARG 44 2HB ARG 47 11.780 1.155 19.752 378 1HG ARG 44 1HG ARG 47 10.452 1.842 21.648 379 2HG ARG 44 2HG ARG 47 11.035 3.287 20.814 380 1HD ARG 44 1HD ARG 47 8.565 3.286 21.618 381 2HD ARG 44 2HD ARG 47 8.861 3.805 19.977 382 HE ARG 44 HE ARG 47 7.866 1.921 19.096 383 1HH1 ARG 44 1HH2 ARG 47 8.134 1.503 22.602 384 2HH1 ARG 44 2HH2 ARG 47 7.226 0.015 22.616 385 1HH2 ARG 44 1HH1 ARG 47 6.846 -0.009 19.082 386 2HH2 ARG 44 2HH1 ARG 47 6.419 -0.860 20.557 387 H THR 45 H THR 48 11.284 3.436 15.964 388 HA THR 45 HA THR 48 14.211 3.783 16.536 389 HB THR 45 HB THR 48 12.693 2.957 14.057 No match found for entry HG1THR 45 390 1HG2 THR 45 2HG2 THR 48 15.376 4.362 14.324 391 2HG2 THR 45 3HG2 THR 48 15.029 3.158 13.026 392 3HG2 THR 45 1HG2 THR 48 14.069 4.633 13.194 393 H LEU 46 H LEU 49 14.207 5.905 17.220 394 HA LEU 46 HA LEU 49 12.949 7.941 15.444 395 1HB LEU 46 1HB LEU 49 12.898 8.074 18.034 396 2HB LEU 46 2HB LEU 49 14.622 8.431 17.915 397 HG LEU 46 HG LEU 49 13.943 10.375 16.313 398 1HD1 LEU 46 2HD1 LEU 49 11.214 9.721 17.537 399 2HD1 LEU 46 3HD1 LEU 49 11.613 11.223 16.694 400 3HD1 LEU 46 1HD1 LEU 49 11.615 9.694 15.807 401 1HD2 LEU 46 2HD2 LEU 49 14.691 10.706 18.633 402 2HD2 LEU 46 3HD2 LEU 49 13.409 11.849 18.202 403 3HD2 LEU 46 1HD2 LEU 49 13.034 10.438 19.216 404 H ASP 47 H ASP 50 15.974 6.296 16.139 405 HA ASP 47 HA ASP 50 17.294 7.887 14.059 406 1HB ASP 47 1HB ASP 50 17.606 8.878 16.476 407 2HB ASP 47 2HB ASP 50 18.511 7.401 16.837 408 H ASP 48 H ASP 51 17.041 4.761 15.505 409 HA ASP 48 HA ASP 51 19.529 3.672 14.703 410 1HB ASP 48 1HB ASP 51 17.932 2.348 15.958 411 2HB ASP 48 2HB ASP 51 16.718 2.464 14.688 412 H LEU 49 H LEU 52 16.613 4.310 12.714 413 HA LEU 49 HA LEU 52 17.754 3.241 10.329 414 1HB LEU 49 1HB LEU 52 15.928 4.196 9.113 415 2HB LEU 49 2HB LEU 52 15.408 3.367 10.570 416 HG LEU 49 HG LEU 52 15.323 5.780 11.634 417 1HD1 LEU 49 2HD1 LEU 52 15.057 6.448 8.664 418 2HD1 LEU 49 3HD1 LEU 52 14.672 7.526 10.018 419 3HD1 LEU 49 1HD1 LEU 52 16.340 7.054 9.722 420 1HD2 LEU 49 2HD2 LEU 52 13.367 4.248 11.097 421 2HD2 LEU 49 3HD2 LEU 52 12.997 5.968 10.908 422 3HD2 LEU 49 1HD2 LEU 52 13.319 4.957 9.480 423 H PHE 50 H PHE 53 18.025 6.403 11.886 424 HA PHE 50 HA PHE 53 18.958 7.917 9.670 425 1HB PHE 50 1HB PHE 53 18.718 9.315 11.461 426 2HB PHE 50 2HB PHE 53 19.062 8.143 12.618 427 HD1 PHE 50 HD2 PHE 53 20.876 10.395 10.284 428 HD2 PHE 50 HD1 PHE 53 21.232 7.654 13.571 429 HE1 PHE 50 HE2 PHE 53 23.024 11.424 10.903 430 HE2 PHE 50 HE1 PHE 53 23.479 8.529 14.063 431 HZ PHE 50 HZ PHE 53 24.389 10.434 12.761 432 H GLN 51 H GLN 54 20.674 5.889 12.033 433 HA GLN 51 HA GLN 54 23.239 6.244 10.890 434 1HB GLN 51 1HB GLN 54 22.817 5.391 13.192 435 2HB GLN 51 2HB GLN 54 22.086 3.922 12.541 436 1HG GLN 51 1HG GLN 54 24.291 3.307 11.514 437 2HG GLN 51 2HG GLN 54 24.985 4.809 12.145 438 1HE2 GLN 51 1HE2 GLN 54 23.964 1.839 14.856 439 2HE2 GLN 51 2HE2 GLN 54 22.992 2.038 13.407 440 H GLU 52 H GLU 55 20.808 3.643 10.460 441 HA GLU 52 HA GLU 55 22.209 2.091 8.587 442 1HB GLU 52 1HB GLU 55 20.080 1.518 9.732 443 2HB GLU 52 2HB GLU 55 19.208 2.623 8.664 444 1HG GLU 52 1HG GLU 55 20.885 0.309 7.595 445 2HG GLU 52 2HG GLU 55 19.213 0.092 8.126 446 H LEU 53 H LEU 56 20.307 5.059 8.074 447 HA LEU 53 HA LEU 56 20.731 5.041 5.163 448 1HB LEU 53 1HB LEU 56 19.335 6.992 6.986 449 2HB LEU 53 2HB LEU 56 19.354 7.046 5.219 450 HG LEU 53 HG LEU 56 18.156 4.758 6.828 451 1HD1 LEU 53 1HD1 LEU 56 16.926 6.897 7.072 452 2HD1 LEU 53 2HD1 LEU 56 16.812 7.026 5.306 453 3HD1 LEU 53 3HD1 LEU 56 16.001 5.693 6.157 454 1HD2 LEU 53 1HD2 LEU 56 18.013 5.309 3.845 455 2HD2 LEU 53 2HD2 LEU 56 18.925 3.991 4.610 456 3HD2 LEU 53 3HD2 LEU 56 17.176 4.030 4.742 457 H ASP 54 H ASP 57 23.019 5.641 7.390 458 HA ASP 54 HA ASP 57 24.055 8.212 6.439 459 1HB ASP 54 1HB ASP 57 24.892 7.307 8.536 460 2HB ASP 54 2HB ASP 57 25.359 5.791 7.747 461 H LYS 55 H LYS 58 24.253 8.422 4.286 462 HA LYS 55 HA LYS 58 24.690 6.549 2.349 463 1HB LYS 55 1HB LYS 58 24.215 8.974 2.116 464 2HB LYS 55 2HB LYS 58 25.910 9.340 2.439 465 1HG LYS 55 1HG LYS 58 25.665 9.471 0.115 466 2HG LYS 55 2HG LYS 58 26.463 7.904 0.354 467 1HD LYS 55 1HD LYS 58 24.233 6.772 0.149 468 2HD LYS 55 2HD LYS 58 23.468 8.351 -0.089 469 1HE LYS 55 1HE LYS 58 25.576 7.106 -1.910 470 2HE LYS 55 2HE LYS 58 23.831 7.123 -2.209 471 1HZ LYS 55 1HZ LYS 58 23.904 9.507 -2.276 472 2HZ LYS 55 2HZ LYS 58 25.527 9.507 -1.984 473 3HZ LYS 55 3HZ LYS 58 24.943 8.864 -3.380 474 H ASN 56 H ASN 59 27.345 8.215 4.174 475 HA ASN 56 HA ASN 59 29.000 5.877 3.938 476 1HB ASN 56 1HB ASN 59 30.776 6.649 2.547 477 2HB ASN 56 2HB ASN 59 29.296 6.709 1.600 478 1HD2 ASN 56 1HD2 ASN 59 29.240 10.347 1.538 479 2HD2 ASN 56 2HD2 ASN 59 28.158 8.968 1.633 480 H GLY 57 H GLY 60 29.170 9.453 4.519 481 1HA GLY 57 1HA GLY 60 31.586 9.513 5.846 482 2HA GLY 57 2HA GLY 60 30.261 10.641 6.103 483 H ASP 58 H ASP 61 28.485 9.756 7.633 484 HA ASP 58 HA ASP 61 29.284 7.928 9.734 485 1HB ASP 58 1HB ASP 61 30.776 9.716 10.425 486 2HB ASP 58 2HB ASP 61 29.501 10.931 10.246 487 H GLY 59 H GLY 62 27.401 10.911 9.149 488 1HA GLY 59 1HA GLY 62 24.853 9.476 9.749 489 2HA GLY 59 2HA GLY 62 25.326 10.922 10.676 490 H GLU 60 H GLU 63 25.679 10.058 7.234 491 HA GLU 60 HA GLU 63 24.562 12.696 6.405 492 1HB GLU 60 1HB GLU 63 26.083 10.443 5.009 493 2HB GLU 60 2HB GLU 63 25.504 11.903 4.189 494 1HG GLU 60 1HG GLU 63 26.890 13.302 5.766 495 2HG GLU 60 2HG GLU 63 27.626 11.803 6.369 496 H VAL 61 H VAL 64 22.235 12.254 6.581 497 HA VAL 61 HA VAL 64 21.268 9.928 4.957 498 HB VAL 61 HB VAL 64 19.728 11.847 6.735 499 1HG1 VAL 61 2HG1 VAL 64 19.030 9.159 5.498 500 2HG1 VAL 61 3HG1 VAL 64 18.020 10.036 6.655 501 3HG1 VAL 61 1HG1 VAL 64 18.317 10.720 5.039 502 1HG2 VAL 61 1HG2 VAL 64 20.846 9.057 7.274 503 2HG2 VAL 61 2HG2 VAL 64 21.335 10.559 8.079 504 3HG2 VAL 61 3HG2 VAL 64 19.701 9.918 8.322 505 H SER 62 H SER 65 22.151 10.672 3.077 506 HA SER 62 HA SER 65 21.544 13.049 1.720 507 1HB SER 62 1HB SER 65 21.785 10.301 0.536 508 2HB SER 62 2HB SER 65 22.285 11.847 -0.203 509 HG SER 62 HG SER 65 23.916 11.941 1.447 510 H PHE 63 H PHE 66 19.795 13.494 0.162 511 HA PHE 63 HA PHE 66 17.232 12.755 0.885 512 1HB PHE 63 1HB PHE 66 17.832 14.620 -0.652 513 2HB PHE 63 2HB PHE 66 18.089 13.450 -1.943 514 HD1 PHE 63 HD2 PHE 66 15.538 14.703 0.515 515 HD2 PHE 63 HD1 PHE 66 16.189 12.649 -3.224 516 HE1 PHE 63 HE2 PHE 66 13.096 14.653 0.114 517 HE2 PHE 63 HE1 PHE 66 13.748 12.638 -3.634 518 HZ PHE 63 HZ PHE 66 12.195 13.651 -1.975 519 H GLU 64 H GLU 67 19.289 11.250 -1.552 520 HA GLU 64 HA GLU 67 17.685 9.306 -2.663 521 1HB GLU 64 1HB GLU 67 20.559 8.745 -1.804 522 2HB GLU 64 2HB GLU 67 19.646 8.046 -3.136 523 1HG GLU 64 1HG GLU 67 20.960 9.546 -4.278 524 2HG GLU 64 2HG GLU 67 19.529 10.548 -4.022 525 H GLU 65 H GLU 68 19.381 9.156 0.486 526 HA GLU 65 HA GLU 68 18.439 6.450 1.069 527 1HB GLU 65 1HB GLU 68 19.855 8.415 2.940 528 2HB GLU 65 2HB GLU 68 19.728 6.656 3.070 529 1HG GLU 65 1HG GLU 68 21.323 8.218 1.034 530 2HG GLU 65 2HG GLU 68 21.932 7.191 2.327 531 H PHE 66 H PHE 69 17.778 9.780 2.101 532 HA PHE 66 HA PHE 69 15.939 9.446 4.131 533 1HB PHE 66 1HB PHE 69 16.878 11.600 3.209 534 2HB PHE 66 2HB PHE 69 15.704 11.479 1.897 535 HD1 PHE 66 HD1 PHE 69 15.853 11.558 5.660 536 HD2 PHE 66 HD2 PHE 69 13.676 12.610 2.086 537 HE1 PHE 66 HE1 PHE 69 14.238 12.861 7.018 538 HE2 PHE 66 HE2 PHE 69 12.028 13.849 3.460 539 HZ PHE 66 HZ PHE 69 12.297 13.967 5.927 540 H GLN 67 H GLN 70 15.379 9.078 0.638 541 HA GLN 67 HA GLN 70 12.654 8.903 0.382 542 1HB GLN 67 1HB GLN 70 14.745 7.031 -0.764 543 2HB GLN 67 2HB GLN 70 13.053 7.052 -1.276 544 1HG GLN 67 1HG GLN 70 13.221 9.406 -1.957 545 2HG GLN 67 2HG GLN 70 14.923 9.444 -1.496 546 1HE2 GLN 67 1HE2 GLN 70 15.887 7.159 -4.207 547 2HE2 GLN 67 2HE2 GLN 70 16.150 7.310 -2.472 548 H VAL 68 H VAL 71 14.771 6.403 1.864 549 HA VAL 68 HA VAL 71 12.818 4.357 2.115 550 HB VAL 68 HB VAL 71 15.247 4.981 3.835 551 1HG1 VAL 68 2HG1 VAL 71 13.594 2.428 3.596 552 2HG1 VAL 68 3HG1 VAL 71 15.165 2.544 4.410 553 3HG1 VAL 68 1HG1 VAL 71 13.782 3.433 5.050 554 1HG2 VAL 68 1HG2 VAL 71 14.882 3.096 1.456 555 2HG2 VAL 68 2HG2 VAL 71 15.823 4.600 1.442 556 3HG2 VAL 68 3HG2 VAL 71 16.352 3.243 2.438 557 H LEU 69 H LEU 72 13.584 7.167 4.196 558 HA LEU 69 HA LEU 72 11.706 6.355 6.257 559 1HB LEU 69 1HB LEU 72 13.662 7.731 6.816 560 2HB LEU 69 2HB LEU 72 13.094 9.018 5.744 561 HG LEU 69 HG LEU 72 11.082 9.341 7.147 562 1HD1 LEU 69 2HD1 LEU 72 12.324 7.189 8.907 563 2HD1 LEU 69 3HD1 LEU 72 11.023 8.279 9.425 564 3HD1 LEU 69 1HD1 LEU 72 10.730 7.127 8.122 565 1HD2 LEU 69 2HD2 LEU 72 13.120 10.643 7.567 566 2HD2 LEU 69 3HD2 LEU 72 12.189 10.346 9.044 567 3HD2 LEU 69 1HD2 LEU 72 13.675 9.418 8.730 568 H VAL 70 H VAL 73 11.790 8.709 3.558 569 HA VAL 70 HA VAL 73 9.319 9.978 3.803 570 HB VAL 70 HB VAL 73 10.689 9.044 1.271 571 1HG1 VAL 70 2HG1 VAL 73 8.370 10.954 1.607 572 2HG1 VAL 70 3HG1 VAL 73 9.356 10.819 0.138 573 3HG1 VAL 70 1HG1 VAL 73 8.386 9.445 0.673 574 1HG2 VAL 70 2HG2 VAL 73 11.952 10.672 2.720 575 2HG2 VAL 70 3HG2 VAL 73 11.488 11.363 1.159 576 3HG2 VAL 70 1HG2 VAL 73 10.572 11.777 2.624 577 H LYS 71 H LYS 74 9.959 6.805 2.266 578 HA LYS 71 HA LYS 74 7.394 6.177 1.428 579 1HB LYS 71 1HB LYS 74 9.467 4.865 0.988 580 2HB LYS 71 2HB LYS 74 9.475 4.333 2.665 581 1HG LYS 71 1HG LYS 74 8.617 2.585 1.185 582 2HG LYS 71 2HG LYS 74 7.409 3.079 2.362 583 1HD LYS 71 1HD LYS 74 6.428 2.719 0.135 584 2HD LYS 71 2HD LYS 74 6.181 4.365 0.700 585 1HE LYS 71 1HE LYS 74 6.782 4.284 -1.698 586 2HE LYS 71 2HE LYS 74 7.991 5.183 -0.778 587 1HZ LYS 71 2HZ LYS 74 8.226 2.378 -1.626 588 2HZ LYS 71 3HZ LYS 74 8.979 3.665 -2.327 589 3HZ LYS 71 1HZ LYS 74 9.362 3.227 -0.787 590 H LYS 72 H LYS 75 8.661 6.061 4.751 591 HA LYS 72 HA LYS 75 6.276 4.712 5.806 592 1HB LYS 72 1HB LYS 75 8.515 5.989 7.401 593 2HB LYS 72 2HB LYS 75 7.405 4.710 7.886 594 1HG LYS 72 1HG LYS 75 9.669 4.522 5.856 595 2HG LYS 72 2HG LYS 75 9.650 3.847 7.479 596 1HD LYS 72 1HD LYS 75 7.788 2.338 6.873 597 2HD LYS 72 2HD LYS 75 7.772 2.979 5.222 598 1HE LYS 72 1HE LYS 75 10.177 1.614 6.522 599 2HE LYS 72 2HE LYS 75 9.022 0.819 5.442 600 1HZ LYS 72 2HZ LYS 75 10.707 3.116 4.694 601 2HZ LYS 72 3HZ LYS 75 10.967 1.542 4.283 602 3HZ LYS 72 1HZ LYS 75 9.636 2.331 3.722 603 H ILE 73 H ILE 76 7.875 7.930 6.160 604 HA ILE 73 HA ILE 76 5.772 8.976 7.803 605 HB ILE 73 HB ILE 76 6.716 11.240 7.180 606 1HG1 ILE 73 1HG1 ILE 76 8.960 9.786 5.914 607 2HG1 ILE 73 2HG1 ILE 76 7.594 10.475 4.984 608 1HG2 ILE 73 1HG2 ILE 76 7.375 9.968 9.215 609 2HG2 ILE 73 2HG2 ILE 76 8.616 9.111 8.278 610 3HG2 ILE 73 3HG2 ILE 76 8.755 10.855 8.565 611 1HD1 ILE 73 1HD1 ILE 76 8.105 12.701 5.878 612 2HD1 ILE 73 2HD1 ILE 76 9.492 12.033 6.783 613 3HD1 ILE 73 3HD1 ILE 76 9.493 12.021 5.017 614 H SER 74 H SER 77 5.954 8.703 4.299 615 HA SER 74 HA SER 77 3.822 10.631 3.826 616 1HB SER 74 1HB SER 77 4.928 8.462 2.001 617 2HB SER 74 2HB SER 77 3.918 9.842 1.528 618 HG SER 74 HG SER 77 6.536 9.875 2.607 619 H GLN 75 H GLN 78 2.673 9.362 5.726 620 HA GLN 75 HA GLN 78 0.849 8.202 6.404 621 1HB GLN 75 1HB GLN 78 -0.050 8.694 3.535 622 2HB GLN 75 2HB GLN 78 -1.100 8.310 4.910 623 1HG GLN 75 1HG GLN 78 -0.420 10.378 6.051 624 2HG GLN 75 2HG GLN 78 0.721 10.761 4.748 625 1HE2 GLN 75 1HE2 GLN 78 -2.163 12.853 3.983 626 2HE2 GLN 75 2HE2 GLN 78 -0.879 12.770 5.182 No H/Q in entry = 627 Start of MODEL 5 Raw file had 628 H/Q atoms Start of MODEL 5 1 1H SER -2 2H SER 1 -6.481 14.729 1.474 2 2H SER -2 3H SER 1 -7.930 13.909 1.722 3 3H SER -2 1H SER 1 -7.912 15.574 1.469 4 HA SER -2 HA SER 1 -8.088 15.481 3.708 5 1HB SER -2 1HB SER 1 -6.346 13.000 3.863 6 2HB SER -2 2HB SER 1 -7.699 13.492 4.909 7 HG SER -2 HG SER 1 -8.357 11.861 3.414 8 H ALA -1 H ALA 2 -6.382 15.920 5.546 9 HA ALA -1 HA ALA 2 -4.208 17.428 4.482 10 1HB ALA -1 1HB ALA 2 -5.274 17.935 6.649 11 2HB ALA -1 2HB ALA 2 -4.687 16.391 7.311 12 3HB ALA -1 3HB ALA 2 -3.533 17.658 6.846 13 H GLN 0 H GLN 3 -1.981 16.951 4.366 14 HA GLN 0 HA GLN 3 -0.697 14.630 5.345 15 1HB GLN 0 1HB GLN 3 -0.261 13.563 3.084 16 2HB GLN 0 2HB GLN 3 -1.897 13.372 3.683 17 1HG GLN 0 1HG GLN 3 -2.271 13.813 1.485 18 2HG GLN 0 2HG GLN 3 -2.515 15.413 2.154 19 1HE2 GLN 0 1HE2 GLN 3 0.400 16.775 0.452 20 2HE2 GLN 0 2HE2 GLN 3 -0.553 16.983 1.909 21 H LYS 1 H LYS 4 1.580 14.591 4.301 22 HA LYS 1 HA LYS 4 2.403 17.365 3.587 23 1HB LYS 1 1HB LYS 4 4.117 14.972 4.312 24 2HB LYS 1 2HB LYS 4 4.628 16.646 4.029 25 1HG LYS 1 1HG LYS 4 2.824 15.719 6.325 26 2HG LYS 1 2HG LYS 4 4.573 15.960 6.421 27 1HD LYS 1 1HD LYS 4 4.291 18.366 5.840 28 2HD LYS 1 2HD LYS 4 2.537 18.139 5.772 29 1HE LYS 1 1HE LYS 4 3.179 19.101 7.925 30 2HE LYS 1 2HE LYS 4 2.503 17.481 8.163 31 1HZ LYS 1 2HZ LYS 4 5.366 18.147 8.098 32 2HZ LYS 1 3HZ LYS 4 4.491 17.859 9.462 33 3HZ LYS 1 1HZ LYS 4 4.734 16.651 8.377 34 H SER 2 H SER 5 2.757 17.710 1.449 35 HA SER 2 HA SER 5 2.375 15.520 -0.405 36 1HB SER 2 1HB SER 5 3.236 18.370 -0.999 37 2HB SER 2 2HB SER 5 2.522 17.210 -2.138 38 HG SER 2 HG SER 5 0.972 18.674 -1.197 39 HA PRO 3 HA PRO 6 6.573 14.146 -1.003 40 1HB PRO 3 1HB PRO 6 6.061 14.474 -3.976 41 2HB PRO 3 2HB PRO 6 6.832 13.113 -3.117 42 1HG PRO 3 1HG PRO 6 4.242 12.919 -3.892 43 2HG PRO 3 2HG PRO 6 4.717 12.382 -2.253 44 1HD PRO 3 1HD PRO 6 3.408 14.994 -3.043 45 2HD PRO 3 2HD PRO 6 3.038 13.887 -1.686 46 H ALA 4 H ALA 7 5.669 16.712 -3.372 47 HA ALA 4 HA ALA 7 8.242 17.828 -3.583 48 1HB ALA 4 1HB ALA 7 6.431 18.241 -5.229 49 2HB ALA 4 2HB ALA 7 5.540 19.175 -4.003 50 3HB ALA 4 3HB ALA 7 7.099 19.768 -4.617 51 H GLU 5 H GLU 8 5.801 18.336 -1.305 52 HA GLU 5 HA GLU 8 6.822 20.763 -0.070 53 1HB GLU 5 1HB GLU 8 4.467 20.031 0.169 54 2HB GLU 5 2HB GLU 8 5.008 18.615 1.089 55 1HG GLU 5 1HG GLU 8 5.962 20.149 2.815 56 2HG GLU 5 2HG GLU 8 5.192 21.499 1.961 57 H LEU 6 H LEU 9 6.936 17.268 0.792 58 HA LEU 6 HA LEU 9 8.765 17.531 2.926 59 1HB LEU 6 1HB LEU 9 8.311 15.209 1.012 60 2HB LEU 6 2HB LEU 9 9.303 15.097 2.468 61 HG LEU 6 HG LEU 9 6.328 15.782 2.466 62 1HD1 LEU 6 1HD1 LEU 9 6.779 13.470 1.705 63 2HD1 LEU 6 2HD1 LEU 9 7.757 13.186 3.164 64 3HD1 LEU 6 3HD1 LEU 9 6.013 13.495 3.302 65 1HD2 LEU 6 1HD2 LEU 9 8.327 15.220 4.710 66 2HD2 LEU 6 2HD2 LEU 9 7.373 16.701 4.463 67 3HD2 LEU 6 3HD2 LEU 9 6.570 15.203 4.929 68 H LYS 7 H LYS 10 9.309 17.075 -0.409 69 HA LYS 7 HA LYS 10 12.167 16.912 -0.381 70 1HB LYS 7 1HB LYS 10 10.831 16.354 -2.369 71 2HB LYS 7 2HB LYS 10 10.388 18.053 -2.569 72 1HG LYS 7 1HG LYS 10 12.698 18.701 -2.934 73 2HG LYS 7 2HG LYS 10 13.277 17.062 -2.626 74 1HD LYS 7 1HD LYS 10 11.284 17.741 -4.838 75 2HD LYS 7 2HD LYS 10 13.025 17.888 -5.084 76 1HE LYS 7 1HE LYS 10 11.672 15.282 -4.237 77 2HE LYS 7 2HE LYS 10 12.051 15.725 -5.907 78 1HZ LYS 7 1HZ LYS 10 14.351 15.870 -5.307 79 2HZ LYS 7 2HZ LYS 10 14.018 15.437 -3.752 80 3HZ LYS 7 3HZ LYS 10 13.751 14.372 -4.971 81 H SER 8 H SER 11 10.050 19.787 -0.919 82 HA SER 8 HA SER 11 12.083 21.722 -1.035 83 1HB SER 8 1HB SER 11 9.250 22.029 0.056 84 2HB SER 8 2HB SER 11 10.339 23.346 -0.415 85 HG SER 8 HG SER 11 9.317 21.294 -2.097 86 H ILE 9 H ILE 12 10.174 20.701 1.871 87 HA ILE 9 HA ILE 12 11.584 22.376 3.679 88 HB ILE 9 HB ILE 12 10.236 19.715 4.268 89 1HG1 ILE 9 1HG1 ILE 12 9.158 22.546 4.682 90 2HG1 ILE 9 2HG1 ILE 12 8.796 21.616 3.234 91 1HG2 ILE 9 1HG2 ILE 12 11.826 20.425 6.051 92 2HG2 ILE 9 2HG2 ILE 12 11.026 22.000 6.131 93 3HG2 ILE 9 3HG2 ILE 12 10.163 20.525 6.605 94 1HD1 ILE 9 1HD1 ILE 12 7.795 19.811 4.617 95 2HD1 ILE 9 2HD1 ILE 12 8.028 20.818 6.065 96 3HD1 ILE 9 3HD1 ILE 12 6.965 21.373 4.767 97 H PHE 10 H PHE 13 12.118 18.919 2.814 98 HA PHE 10 HA PHE 13 14.356 18.363 4.347 99 1HB PHE 10 1HB PHE 13 13.291 16.647 3.091 100 2HB PHE 10 2HB PHE 13 13.591 17.454 1.561 101 HD1 PHE 10 HD2 PHE 13 15.170 15.495 4.273 102 HD2 PHE 10 HD1 PHE 13 15.699 17.291 0.393 103 HE1 PHE 10 HE2 PHE 13 17.323 14.281 4.000 104 HE2 PHE 10 HE1 PHE 13 17.780 15.992 0.079 105 HZ PHE 10 HZ PHE 13 18.585 14.470 1.878 106 H GLU 11 H GLU 14 14.383 19.852 1.041 107 HA GLU 11 HA GLU 14 17.207 20.181 0.909 108 1HB GLU 11 1HB GLU 14 14.930 21.742 -0.370 109 2HB GLU 11 2HB GLU 14 16.641 21.993 -0.761 110 1HG GLU 11 1HG GLU 14 16.901 19.730 -1.557 111 2HG GLU 11 2HG GLU 14 15.278 19.279 -1.028 112 H LYS 12 H LYS 15 14.661 22.506 1.979 113 HA LYS 12 HA LYS 15 16.463 24.596 2.697 114 1HB LYS 12 1HB LYS 15 13.709 23.892 3.785 115 2HB LYS 12 2HB LYS 15 14.554 25.400 4.135 116 1HG LYS 12 1HG LYS 15 13.802 24.483 1.324 117 2HG LYS 12 2HG LYS 15 12.826 25.556 2.334 118 1HD LYS 12 1HD LYS 15 14.779 27.148 2.457 119 2HD LYS 12 2HD LYS 15 15.641 26.133 1.290 120 1HE LYS 12 1HE LYS 15 12.962 27.516 0.810 121 2HE LYS 12 2HE LYS 15 14.535 28.050 0.198 122 1HZ LYS 12 1HZ LYS 15 14.694 25.996 -1.018 123 2HZ LYS 12 2HZ LYS 15 13.215 25.514 -0.474 124 3HZ LYS 12 3HZ LYS 15 13.343 26.835 -1.447 125 OH TYR 13 OH TYR 16 14.186 21.327 12.023 126 H TYR 13 H TYR 16 15.481 21.706 4.451 127 HA TYR 13 HA TYR 16 16.573 22.544 6.998 128 1HB TYR 13 1HB TYR 16 14.935 20.435 6.026 129 2HB TYR 13 2HB TYR 16 16.383 19.632 6.536 130 HD1 TYR 13 HD2 TYR 16 13.611 21.878 7.547 131 HD2 TYR 13 HD1 TYR 16 16.756 19.273 8.954 132 HE1 TYR 13 HE2 TYR 16 12.874 22.181 9.884 133 HE2 TYR 13 HE1 TYR 16 16.352 19.936 11.177 134 HH TYR 13 HH TYR 16 13.685 20.574 12.361 135 H ALA 14 H ALA 17 17.596 20.270 4.457 136 HA ALA 14 HA ALA 17 20.134 19.502 5.374 137 1HB ALA 14 2HB ALA 17 18.959 19.847 2.589 138 2HB ALA 14 3HB ALA 17 20.578 19.210 2.914 139 3HB ALA 14 1HB ALA 17 19.158 18.361 3.562 140 H ALA 15 H ALA 18 19.087 22.487 3.700 141 HA ALA 15 HA ALA 18 21.559 23.563 2.976 142 1HB ALA 15 1HB ALA 18 19.275 24.515 2.446 143 2HB ALA 15 2HB ALA 18 19.234 25.164 4.103 144 3HB ALA 15 3HB ALA 18 20.478 25.710 2.972 145 H LYS 16 H LYS 19 20.397 23.062 6.265 146 HA LYS 16 HA LYS 19 22.015 25.058 7.548 147 1HB LYS 16 1HB LYS 19 21.017 22.347 8.504 148 2HB LYS 16 2HB LYS 19 21.777 23.567 9.537 149 1HG LYS 16 1HG LYS 19 19.973 25.159 9.137 150 2HG LYS 16 2HG LYS 19 19.276 24.135 7.882 151 1HD LYS 16 1HD LYS 19 17.904 23.790 9.759 152 2HD LYS 16 2HD LYS 19 18.897 22.337 9.610 153 1HE LYS 16 1HE LYS 19 20.428 23.287 11.401 154 2HE LYS 16 2HE LYS 19 19.313 24.657 11.567 155 1HZ LYS 16 1HZ LYS 19 17.601 23.049 12.148 156 2HZ LYS 16 2HZ LYS 19 18.702 21.824 12.012 157 3HZ LYS 16 3HZ LYS 19 18.882 22.958 13.185 158 H GLU 17 H GLU 20 22.685 21.909 6.129 159 HA GLU 17 HA GLU 20 25.483 21.834 7.084 160 1HB GLU 17 1HB GLU 20 23.915 19.878 5.333 161 2HB GLU 17 2HB GLU 20 25.504 19.619 6.068 162 1HG GLU 17 1HG GLU 20 24.440 19.845 8.340 163 2HG GLU 17 2HG GLU 20 22.857 19.974 7.553 164 H GLY 18 H GLY 21 27.135 21.406 5.292 165 1HA GLY 18 1HA GLY 21 26.966 23.506 3.325 166 2HA GLY 18 2HA GLY 21 28.274 22.346 3.543 167 H ASP 19 H ASP 22 24.832 21.760 2.694 168 HA ASP 19 HA ASP 22 25.091 21.449 -0.074 169 1HB ASP 19 1HB ASP 22 26.531 19.515 0.263 170 2HB ASP 19 2HB ASP 22 25.392 18.821 1.423 171 HA PRO 20 HA PRO 23 20.819 21.396 1.632 172 1HB PRO 20 1HB PRO 23 19.504 22.744 -0.314 173 2HB PRO 20 2HB PRO 23 20.682 23.550 0.748 174 1HG PRO 20 1HG PRO 23 21.218 22.419 -2.009 175 2HG PRO 20 2HG PRO 23 21.554 24.079 -1.429 176 1HD PRO 20 1HD PRO 23 23.453 22.132 -1.412 177 2HD PRO 20 2HD PRO 23 23.366 23.330 -0.084 178 H ASN 21 H ASN 24 21.795 18.987 0.705 179 HA ASN 21 HA ASN 24 19.425 17.847 -0.671 180 1HB ASN 21 1HB ASN 24 22.291 17.376 -1.605 181 2HB ASN 21 2HB ASN 24 20.869 16.497 -2.160 182 1HD2 ASN 21 1HD2 ASN 24 21.659 20.149 -3.757 183 2HD2 ASN 21 2HD2 ASN 24 22.667 19.499 -2.463 184 H GLN 22 H GLN 25 21.448 17.750 2.004 185 HA GLN 22 HA GLN 25 20.738 14.957 2.546 186 1HB GLN 22 1HB GLN 25 23.294 15.694 3.750 187 2HB GLN 22 2HB GLN 25 22.928 14.247 2.814 188 1HG GLN 22 1HG GLN 25 23.344 15.522 0.673 189 2HG GLN 22 2HG GLN 25 23.734 16.955 1.647 190 1HE2 GLN 22 1HE2 GLN 25 26.495 13.907 1.321 191 2HE2 GLN 22 2HE2 GLN 25 24.795 13.607 0.937 192 H LEU 23 H LEU 26 20.534 14.427 4.681 193 HA LEU 23 HA LEU 26 21.216 16.594 6.482 194 1HB LEU 23 1HB LEU 26 18.764 14.727 6.468 195 2HB LEU 23 2HB LEU 26 19.206 15.534 7.974 196 HG LEU 23 HG LEU 26 18.720 17.099 5.451 197 1HD1 LEU 23 1HD1 LEU 26 16.715 15.690 6.007 198 2HD1 LEU 23 2HD1 LEU 26 16.667 16.457 7.603 199 3HD1 LEU 23 3HD1 LEU 26 16.411 17.427 6.131 200 1HD2 LEU 23 2HD2 LEU 26 19.907 18.159 7.434 201 2HD2 LEU 23 3HD2 LEU 26 18.366 18.928 7.061 202 3HD2 LEU 23 1HD2 LEU 26 18.448 17.772 8.389 203 H SER 24 H SER 27 22.198 15.947 8.447 204 HA SER 24 HA SER 27 23.425 13.285 8.717 205 1HB SER 24 1HB SER 27 24.351 14.344 10.764 206 2HB SER 24 2HB SER 27 24.595 15.392 9.372 207 HG SER 24 HG SER 27 23.073 16.735 10.055 208 H LYS 25 H LYS 28 23.305 12.485 11.130 209 HA LYS 25 HA LYS 28 20.792 11.354 11.693 210 1HB LYS 25 1HB LYS 28 23.067 11.989 13.642 211 2HB LYS 25 2HB LYS 28 21.795 10.784 13.870 212 1HG LYS 25 1HG LYS 28 22.682 9.454 12.020 213 2HG LYS 25 2HG LYS 28 23.902 10.683 11.648 214 1HD LYS 25 1HD LYS 28 24.950 10.452 13.833 215 2HD LYS 25 2HD LYS 28 23.732 9.280 14.332 216 1HE LYS 25 1HE LYS 28 24.505 7.826 12.342 217 2HE LYS 25 2HE LYS 28 25.837 8.972 12.135 218 1HZ LYS 25 2HZ LYS 28 25.256 7.439 14.573 219 2HZ LYS 25 3HZ LYS 28 26.436 7.083 13.473 220 3HZ LYS 25 1HZ LYS 28 26.528 8.468 14.363 221 H GLU 26 H GLU 29 22.469 13.993 13.429 222 HA GLU 26 HA GLU 29 20.294 14.706 15.067 223 1HB GLU 26 1HB GLU 29 21.573 16.602 15.764 224 2HB GLU 26 2HB GLU 29 22.578 15.146 15.685 225 1HG GLU 26 1HG GLU 29 23.315 15.902 13.382 226 2HG GLU 26 2HG GLU 29 22.448 17.419 13.686 227 H GLU 27 H GLU 30 21.328 16.063 11.883 228 HA GLU 27 HA GLU 30 19.280 18.110 12.065 229 1HB GLU 27 1HB GLU 30 20.803 17.179 9.634 230 2HB GLU 27 2HB GLU 30 19.791 18.630 9.785 231 1HG GLU 27 1HG GLU 30 22.310 18.191 11.422 232 2HG GLU 27 2HG GLU 30 22.131 19.256 10.022 233 H LEU 28 H LEU 31 19.293 14.752 10.789 234 HA LEU 28 HA LEU 31 16.688 14.956 9.616 235 1HB LEU 28 1HB LEU 31 18.291 12.643 10.762 236 2HB LEU 28 2HB LEU 31 16.569 12.453 10.454 237 HG LEU 28 HG LEU 31 18.597 13.128 8.319 238 1HD1 LEU 28 2HD1 LEU 31 17.027 10.605 9.031 239 2HD1 LEU 28 3HD1 LEU 31 17.987 10.837 7.580 240 3HD1 LEU 28 1HD1 LEU 31 18.788 10.832 9.171 241 1HD2 LEU 28 1HD2 LEU 31 15.595 12.523 8.172 242 2HD2 LEU 28 2HD2 LEU 31 16.361 14.052 7.708 243 3HD2 LEU 28 3HD2 LEU 31 16.689 12.600 6.776 244 H LYS 29 H LYS 32 17.738 13.985 12.961 245 HA LYS 29 HA LYS 32 15.080 13.776 13.987 246 1HB LYS 29 1HB LYS 32 16.317 12.907 15.496 247 2HB LYS 29 2HB LYS 32 17.662 14.007 15.281 248 1HG LYS 29 1HG LYS 32 15.023 15.122 16.410 249 2HG LYS 29 2HG LYS 32 16.090 14.169 17.477 250 1HD LYS 29 1HD LYS 32 17.369 16.085 15.699 251 2HD LYS 29 2HD LYS 32 16.224 16.853 16.799 252 1HE LYS 29 1HE LYS 32 18.523 16.861 17.782 253 2HE LYS 29 2HE LYS 32 17.400 15.906 18.763 254 1HZ LYS 29 1HZ LYS 32 18.273 13.933 17.716 255 2HZ LYS 29 2HZ LYS 32 19.316 14.830 16.814 256 3HZ LYS 29 3HZ LYS 32 19.477 14.784 18.453 257 H GLN 30 H GLN 33 17.010 16.739 13.615 258 HA GLN 30 HA GLN 33 14.959 18.165 14.845 259 1HB GLN 30 1HB GLN 33 17.176 18.986 12.926 260 2HB GLN 30 2HB GLN 33 16.048 20.220 13.538 261 1HG GLN 30 1HG GLN 33 16.721 19.899 15.771 262 2HG GLN 30 2HG GLN 33 17.497 18.352 15.393 263 1HE2 GLN 30 1HE2 GLN 33 20.557 19.670 14.260 264 2HE2 GLN 30 2HE2 GLN 33 19.491 18.260 14.390 265 H LEU 31 H LEU 34 15.520 17.400 11.376 266 HA LEU 31 HA LEU 34 13.341 18.773 10.236 267 1HB LEU 31 1HB LEU 34 14.950 17.529 8.831 268 2HB LEU 31 2HB LEU 34 14.378 16.014 9.511 269 HG LEU 31 HG LEU 34 12.082 16.493 8.561 270 1HD1 LEU 31 2HD1 LEU 34 13.632 18.624 7.031 271 2HD1 LEU 31 3HD1 LEU 34 11.994 18.073 6.656 272 3HD1 LEU 31 1HD1 LEU 34 12.304 18.932 8.174 273 1HD2 LEU 31 2HD2 LEU 34 13.680 14.915 7.542 274 2HD2 LEU 31 3HD2 LEU 34 12.639 15.726 6.358 275 3HD2 LEU 31 1HD2 LEU 34 14.323 16.241 6.548 276 H ILE 32 H ILE 35 13.390 15.631 11.577 277 HA ILE 32 HA ILE 35 10.588 15.145 11.317 278 HB ILE 32 HB ILE 35 12.453 13.838 13.316 279 1HG1 ILE 32 1HG1 ILE 35 13.330 13.338 11.162 280 2HG1 ILE 32 2HG1 ILE 35 12.412 11.940 11.692 281 1HG2 ILE 32 2HG2 ILE 35 9.669 13.052 12.353 282 2HG2 ILE 32 3HG2 ILE 35 10.749 11.979 13.258 283 3HG2 ILE 32 1HG2 ILE 35 10.153 13.460 14.007 284 1HD1 ILE 32 1HD1 ILE 35 10.516 12.668 10.215 285 2HD1 ILE 32 2HD1 ILE 35 11.541 13.996 9.617 286 3HD1 ILE 32 3HD1 ILE 35 12.013 12.320 9.341 287 H GLN 33 H GLN 36 12.306 16.380 14.013 288 HA GLN 33 HA GLN 36 9.966 16.607 15.661 289 1HB GLN 33 1HB GLN 36 11.155 17.515 17.299 290 2HB GLN 33 2HB GLN 36 12.471 16.787 16.380 291 1HG GLN 33 1HG GLN 36 12.905 19.065 15.371 292 2HG GLN 33 2HG GLN 36 11.645 19.733 16.409 293 1HE2 GLN 33 1HE2 GLN 36 13.577 19.375 19.432 294 2HE2 GLN 33 2HE2 GLN 36 11.928 19.327 18.830 295 H ALA 34 H ALA 37 11.335 18.793 13.213 296 HA ALA 34 HA ALA 37 9.492 20.956 13.802 297 1HB ALA 34 2HB ALA 37 11.127 20.348 11.307 298 2HB ALA 34 3HB ALA 37 10.251 21.856 11.638 299 3HB ALA 34 1HB ALA 37 11.602 21.375 12.681 300 H GLU 35 H GLU 38 9.511 18.282 11.400 301 HA GLU 35 HA GLU 38 7.015 19.144 10.172 302 1HB GLU 35 1HB GLU 38 8.716 16.638 9.915 303 2HB GLU 35 2HB GLU 38 7.245 16.926 8.979 304 1HG GLU 35 1HG GLU 38 8.254 19.042 8.096 305 2HG GLU 35 2HG GLU 38 9.767 18.637 8.921 306 H PHE 36 H PHE 39 7.867 16.301 12.194 307 HA PHE 36 HA PHE 39 5.247 16.128 13.393 308 1HB PHE 36 1HB PHE 39 4.941 13.718 12.370 309 2HB PHE 36 2HB PHE 39 4.295 15.181 11.652 310 HD1 PHE 36 HD1 PHE 39 7.907 14.230 11.203 311 HD2 PHE 36 HD2 PHE 39 3.932 14.088 9.538 312 HE1 PHE 36 HE1 PHE 39 8.860 13.955 8.937 313 HE2 PHE 36 HE2 PHE 39 4.897 13.646 7.304 314 HZ PHE 36 HZ PHE 39 7.365 13.677 6.981 315 HA PRO 37 HA PRO 40 8.724 14.589 15.915 316 1HB PRO 37 1HB PRO 40 6.555 14.949 17.991 317 2HB PRO 37 2HB PRO 40 8.300 15.316 18.139 318 1HG PRO 37 1HG PRO 40 6.464 17.283 17.645 319 2HG PRO 37 2HG PRO 40 8.069 17.285 16.879 320 1HD PRO 37 1HD PRO 40 5.419 16.499 15.694 321 2HD PRO 37 2HD PRO 40 6.817 17.306 14.914 322 H SER 38 H SER 41 5.472 13.664 16.030 323 HA SER 38 HA SER 41 5.166 11.408 17.454 324 1HB SER 38 1HB SER 41 3.867 11.729 14.743 325 2HB SER 38 2HB SER 41 3.152 11.173 16.270 326 HG SER 38 HG SER 41 2.565 13.348 15.849 327 H LEU 39 H LEU 42 7.196 11.412 14.648 328 HA LEU 39 HA LEU 42 6.676 8.634 13.887 329 1HB LEU 39 1HB LEU 42 8.822 10.571 12.979 330 2HB LEU 39 2HB LEU 42 8.471 8.992 12.266 331 HG LEU 39 HG LEU 42 6.600 11.403 12.295 332 1HD1 LEU 39 1HD1 LEU 42 8.527 11.530 10.743 333 2HD1 LEU 39 2HD1 LEU 42 8.059 9.965 10.044 334 3HD1 LEU 39 3HD1 LEU 42 6.985 11.375 9.884 335 1HD2 LEU 39 1HD2 LEU 42 6.196 8.590 11.181 336 2HD2 LEU 39 2HD2 LEU 42 5.195 9.412 12.404 337 3HD2 LEU 39 3HD2 LEU 42 5.209 9.996 10.740 338 H LEU 40 H LEU 43 7.133 8.615 16.445 339 HA LEU 40 HA LEU 43 9.915 7.818 17.056 340 1HB LEU 40 1HB LEU 43 7.349 7.457 18.657 341 2HB LEU 40 2HB LEU 43 8.995 7.198 19.247 342 HG LEU 40 HG LEU 43 7.796 9.856 18.331 343 1HD1 LEU 40 1HD1 LEU 43 6.912 9.050 20.474 344 2HD1 LEU 40 2HD1 LEU 43 8.561 8.815 21.086 345 3HD1 LEU 40 3HD1 LEU 43 7.970 10.452 20.722 346 1HD2 LEU 40 1HD2 LEU 43 10.565 9.261 19.459 347 2HD2 LEU 40 2HD2 LEU 43 10.188 9.889 17.838 348 3HD2 LEU 40 3HD2 LEU 43 9.864 10.880 19.260 349 H LYS 41 H LYS 44 10.004 6.397 15.196 350 HA LYS 41 HA LYS 44 8.319 4.072 14.968 351 1HB LYS 41 1HB LYS 44 11.040 4.541 13.698 352 2HB LYS 41 2HB LYS 44 9.790 3.386 13.196 353 1HG LYS 41 1HG LYS 44 8.233 5.416 12.888 354 2HG LYS 41 2HG LYS 44 9.679 6.421 13.108 355 1HD LYS 41 1HD LYS 44 10.748 5.119 11.193 356 2HD LYS 41 2HD LYS 44 9.132 4.434 10.892 357 1HE LYS 41 1HE LYS 44 8.242 6.810 10.755 358 2HE LYS 41 2HE LYS 44 9.912 7.393 10.896 359 1HZ LYS 41 1HZ LYS 44 10.393 6.090 8.903 360 2HZ LYS 41 2HZ LYS 44 8.787 5.753 8.736 361 3HZ LYS 41 3HZ LYS 44 9.317 7.308 8.645 362 H GLY 42 H GLY 45 8.581 3.541 17.360 363 1HA GLY 42 1HA GLY 45 9.301 1.127 17.984 364 2HA GLY 42 2HA GLY 45 10.934 1.823 17.962 365 HA PRO 43 HA PRO 46 9.250 2.291 22.299 366 1HB PRO 43 1HB PRO 46 12.255 2.342 22.668 367 2HB PRO 43 2HB PRO 46 11.017 1.596 23.719 368 1HG PRO 43 1HG PRO 46 12.457 0.036 22.036 369 2HG PRO 43 2HG PRO 46 10.687 -0.198 22.147 370 1HD PRO 43 1HD PRO 46 12.228 1.342 20.038 371 2HD PRO 43 2HD PRO 46 10.908 0.154 19.827 372 NH1 ARG 44 NH1 ARG 47 8.697 9.036 24.042 373 NH2 ARG 44 NH2 ARG 47 8.320 6.738 24.037 374 H ARG 44 H ARG 47 11.817 3.954 20.527 375 HA ARG 44 HA ARG 47 10.737 6.557 21.111 376 1HB ARG 44 1HB ARG 47 12.381 5.869 23.091 377 2HB ARG 44 2HB ARG 47 13.656 6.087 21.919 378 1HG ARG 44 1HG ARG 47 13.311 8.044 23.349 379 2HG ARG 44 2HG ARG 47 13.097 8.444 21.643 380 1HD ARG 44 1HD ARG 47 11.436 9.356 23.494 381 2HD ARG 44 2HD ARG 47 10.843 8.893 21.892 382 HE ARG 44 HE ARG 47 10.583 6.558 23.280 383 1HH1 ARG 44 1HH1 ARG 47 9.325 9.806 23.870 384 2HH1 ARG 44 2HH1 ARG 47 7.759 9.218 24.364 385 1HH2 ARG 44 1HH2 ARG 47 8.674 5.822 23.758 386 2HH2 ARG 44 2HH2 ARG 47 7.372 6.840 24.366 387 H THR 45 H THR 48 13.797 4.939 20.004 388 HA THR 45 HA THR 48 14.960 5.069 18.233 389 HB THR 45 HB THR 48 12.315 5.369 16.757 No match found for entry HG1THR 45 390 1HG2 THR 45 1HG2 THR 48 14.516 5.633 15.448 391 2HG2 THR 45 2HG2 THR 48 14.949 4.052 16.163 392 3HG2 THR 45 3HG2 THR 48 13.571 4.173 15.036 393 H LEU 46 H LEU 49 12.652 7.234 17.087 394 HA LEU 46 HA LEU 49 12.695 8.987 15.751 395 1HB LEU 46 1HB LEU 49 12.794 10.060 17.981 396 2HB LEU 46 2HB LEU 49 14.557 10.158 17.857 397 HG LEU 46 HG LEU 49 14.374 11.665 15.912 398 1HD1 LEU 46 2HD1 LEU 49 11.362 11.284 16.231 399 2HD1 LEU 46 3HD1 LEU 49 12.107 12.617 15.336 400 3HD1 LEU 46 1HD1 LEU 49 12.348 10.959 14.784 401 1HD2 LEU 46 2HD2 LEU 49 14.333 12.602 18.204 402 2HD2 LEU 46 3HD2 LEU 49 13.363 13.591 17.093 403 3HD2 LEU 46 1HD2 LEU 49 12.561 12.489 18.225 404 H ASP 47 H ASP 50 16.186 8.669 16.692 405 HA ASP 47 HA ASP 50 16.760 8.332 13.879 406 1HB ASP 47 1HB ASP 50 18.468 9.790 13.733 407 2HB ASP 47 2HB ASP 50 16.958 10.688 14.071 408 H ASP 48 H ASP 51 17.056 6.525 14.381 409 HA ASP 48 HA ASP 51 19.702 5.566 15.350 410 1HB ASP 48 1HB ASP 51 18.280 5.162 17.307 411 2HB ASP 48 2HB ASP 51 17.116 4.278 16.310 412 H LEU 49 H LEU 52 16.620 4.122 13.962 413 HA LEU 49 HA LEU 52 18.164 2.469 12.218 414 1HB LEU 49 1HB LEU 52 16.193 2.012 10.996 415 2HB LEU 49 2HB LEU 52 15.812 2.087 12.709 416 HG LEU 49 HG LEU 52 15.100 4.605 12.106 417 1HD1 LEU 49 1HD1 LEU 52 15.781 4.407 9.658 418 2HD1 LEU 49 2HD1 LEU 52 14.643 3.067 9.493 419 3HD1 LEU 49 3HD1 LEU 52 14.046 4.694 9.857 420 1HD2 LEU 49 2HD2 LEU 52 13.627 2.863 13.052 421 2HD2 LEU 49 3HD2 LEU 52 12.803 3.780 11.783 422 3HD2 LEU 49 1HD2 LEU 52 13.422 2.151 11.441 423 H PHE 50 H PHE 53 17.093 5.791 12.075 424 HA PHE 50 HA PHE 53 17.756 6.758 9.542 425 1HB PHE 50 1HB PHE 53 18.107 7.796 12.351 426 2HB PHE 50 2HB PHE 53 18.454 8.808 11.015 427 HD1 PHE 50 HD2 PHE 53 15.500 6.535 10.692 428 HD2 PHE 50 HD1 PHE 53 16.916 10.493 11.679 429 HE1 PHE 50 HE2 PHE 53 13.187 7.319 10.893 430 HE2 PHE 50 HE1 PHE 53 14.603 11.315 11.631 431 HZ PHE 50 HZ PHE 53 12.713 9.718 11.272 432 H GLN 51 H GLN 54 19.953 5.853 12.262 433 HA GLN 51 HA GLN 54 22.275 7.054 11.172 434 1HB GLN 51 1HB GLN 54 21.994 4.680 13.101 435 2HB GLN 51 2HB GLN 54 23.494 5.535 12.732 436 1HG GLN 51 1HG GLN 54 22.413 7.639 13.561 437 2HG GLN 51 2HG GLN 54 21.006 6.720 14.042 438 1HE2 GLN 51 1HE2 GLN 54 22.831 4.999 16.723 439 2HE2 GLN 51 2HE2 GLN 54 21.607 4.644 15.530 440 H GLU 52 H GLU 55 20.650 3.984 10.437 441 HA GLU 52 HA GLU 55 22.883 2.820 9.018 442 1HB GLU 52 1HB GLU 55 19.894 2.351 8.624 443 2HB GLU 52 2HB GLU 55 21.213 1.310 8.087 444 1HG GLU 52 1HG GLU 55 21.858 0.852 10.420 445 2HG GLU 52 2HG GLU 55 20.597 1.937 11.021 446 H LEU 53 H LEU 56 20.330 5.147 8.267 447 HA LEU 53 HA LEU 56 20.781 5.115 5.395 448 1HB LEU 53 1HB LEU 56 19.258 7.141 7.058 449 2HB LEU 53 2HB LEU 56 19.178 6.897 5.317 450 HG LEU 53 HG LEU 56 18.269 4.880 7.403 451 1HD1 LEU 53 1HD1 LEU 56 16.833 6.907 7.248 452 2HD1 LEU 53 2HD1 LEU 56 16.677 6.655 5.498 453 3HD1 LEU 53 3HD1 LEU 56 16.005 5.466 6.634 454 1HD2 LEU 53 1HD2 LEU 56 18.092 4.836 4.354 455 2HD2 LEU 53 2HD2 LEU 56 19.002 3.703 5.382 456 3HD2 LEU 53 3HD2 LEU 56 17.237 3.720 5.439 457 H ASP 54 H ASP 57 22.021 6.883 8.148 458 HA ASP 54 HA ASP 57 23.231 9.220 6.903 459 1HB ASP 54 1HB ASP 57 22.682 8.829 9.315 460 2HB ASP 54 2HB ASP 57 24.063 7.723 9.405 461 H LYS 55 H LYS 58 23.903 7.734 4.926 462 HA LYS 55 HA LYS 58 26.216 6.019 5.323 463 1HB LYS 55 1HB LYS 58 24.684 7.023 2.949 464 2HB LYS 55 2HB LYS 58 26.242 6.155 2.774 465 1HG LYS 55 1HG LYS 58 25.364 4.202 3.865 466 2HG LYS 55 2HG LYS 58 23.902 5.050 4.378 467 1HD LYS 55 1HD LYS 58 23.594 3.461 2.475 468 2HD LYS 55 2HD LYS 58 22.993 5.082 2.175 469 1HE LYS 55 1HE LYS 58 25.762 4.252 1.222 470 2HE LYS 55 2HE LYS 58 24.307 3.848 0.301 471 1HZ LYS 55 1HZ LYS 58 23.755 6.143 0.161 472 2HZ LYS 55 2HZ LYS 58 25.094 6.587 1.004 473 3HZ LYS 55 3HZ LYS 58 25.251 5.867 -0.466 474 H ASN 56 H ASN 59 28.241 6.555 5.398 475 HA ASN 56 HA ASN 59 29.097 9.305 5.286 476 1HB ASN 56 1HB ASN 59 30.098 7.668 6.828 477 2HB ASN 56 2HB ASN 59 30.729 6.742 5.455 478 1HD2 ASN 56 1HD2 ASN 59 32.425 10.435 6.285 479 2HD2 ASN 56 2HD2 ASN 59 30.731 10.179 6.664 480 H GLY 57 H GLY 60 29.001 6.725 2.908 481 1HA GLY 57 1HA GLY 60 30.987 7.467 1.088 482 2HA GLY 57 2HA GLY 60 29.417 6.768 0.640 483 H ASP 58 H ASP 61 27.622 8.686 1.348 484 HA ASP 58 HA ASP 61 28.192 10.917 -0.526 485 1HB ASP 58 1HB ASP 61 25.818 11.389 -0.365 486 2HB ASP 58 2HB ASP 61 26.090 9.701 -0.815 487 H GLY 59 H GLY 62 27.722 10.223 2.931 488 1HA GLY 59 1HA GLY 62 29.110 11.899 4.247 489 2HA GLY 59 2HA GLY 62 27.987 13.115 3.621 490 H GLU 60 H GLU 63 25.575 12.050 3.710 491 HA GLU 60 HA GLU 63 24.989 11.127 6.530 492 1HB GLU 60 1HB GLU 63 23.719 13.553 5.355 493 2HB GLU 60 2HB GLU 63 23.567 12.612 6.872 494 1HG GLU 60 1HG GLU 63 24.808 14.668 7.308 495 2HG GLU 60 2HG GLU 63 25.921 13.294 7.470 496 H VAL 61 H VAL 64 22.180 12.256 5.615 497 HA VAL 61 HA VAL 64 21.321 9.961 3.947 498 HB VAL 61 HB VAL 64 19.636 11.771 5.786 499 1HG1 VAL 61 1HG1 VAL 64 18.464 10.512 3.998 500 2HG1 VAL 61 2HG1 VAL 64 19.184 9.005 4.611 501 3HG1 VAL 61 3HG1 VAL 64 18.029 9.896 5.600 502 1HG2 VAL 61 1HG2 VAL 64 21.116 9.232 6.323 503 2HG2 VAL 61 2HG2 VAL 64 21.150 10.699 7.315 504 3HG2 VAL 61 3HG2 VAL 64 19.732 9.629 7.308 505 H SER 62 H SER 65 22.023 10.870 2.083 506 HA SER 62 HA SER 65 21.226 13.502 1.181 507 1HB SER 62 1HB SER 65 22.187 11.055 -0.287 508 2HB SER 62 2HB SER 65 22.002 12.678 -1.000 509 HG SER 62 HG SER 65 23.698 11.916 1.146 510 H PHE 63 H PHE 66 19.651 13.733 -0.732 511 HA PHE 63 HA PHE 66 17.118 12.857 -0.177 512 1HB PHE 63 1HB PHE 66 17.695 14.538 -1.914 513 2HB PHE 63 2HB PHE 66 18.090 13.222 -3.018 514 HD1 PHE 63 HD1 PHE 66 15.365 14.762 -0.970 515 HD2 PHE 63 HD2 PHE 66 16.302 11.876 -4.038 516 HE1 PHE 63 HE1 PHE 66 12.957 14.241 -1.220 517 HE2 PHE 63 HE2 PHE 66 13.901 11.335 -4.256 518 HZ PHE 63 HZ PHE 66 12.222 12.500 -2.837 519 H GLU 64 H GLU 67 19.498 11.184 -2.144 520 HA GLU 64 HA GLU 67 18.125 9.018 -3.191 521 1HB GLU 64 1HB GLU 67 21.007 9.252 -2.220 522 2HB GLU 64 2HB GLU 67 20.373 7.877 -3.121 523 1HG GLU 64 1HG GLU 67 21.495 9.334 -4.669 524 2HG GLU 64 2HG GLU 67 19.764 9.341 -5.018 525 H GLU 65 H GLU 68 19.333 9.423 0.132 526 HA GLU 65 HA GLU 68 18.495 6.657 0.863 527 1HB GLU 65 1HB GLU 68 19.968 8.806 2.453 528 2HB GLU 65 2HB GLU 68 19.500 7.210 3.040 529 1HG GLU 65 1HG GLU 68 21.709 6.936 2.509 530 2HG GLU 65 2HG GLU 68 20.880 6.220 1.115 531 H PHE 66 H PHE 69 17.888 10.091 1.644 532 HA PHE 66 HA PHE 69 15.978 9.872 3.636 533 1HB PHE 66 1HB PHE 69 16.942 12.015 2.871 534 2HB PHE 66 2HB PHE 69 16.086 11.827 1.342 535 HD1 PHE 66 HD1 PHE 69 15.169 11.739 5.003 536 HD2 PHE 66 HD2 PHE 69 14.241 13.209 1.057 537 HE1 PHE 66 HE1 PHE 69 13.201 12.949 5.910 538 HE2 PHE 66 HE2 PHE 69 12.305 14.448 1.975 539 HZ PHE 66 HZ PHE 69 11.772 14.313 4.398 540 H GLN 67 H GLN 70 15.427 9.633 0.087 541 HA GLN 67 HA GLN 70 12.650 9.587 0.115 542 1HB GLN 67 1HB GLN 70 12.734 8.349 -1.965 543 2HB GLN 67 2HB GLN 70 13.939 9.645 -1.918 544 1HG GLN 67 1HG GLN 70 15.674 7.959 -1.301 545 2HG GLN 67 2HG GLN 70 14.477 6.670 -1.509 546 1HE2 GLN 67 1HE2 GLN 70 16.475 7.066 -4.671 547 2HE2 GLN 67 2HE2 GLN 70 16.907 6.818 -2.976 548 H VAL 68 H VAL 71 14.851 6.965 1.180 549 HA VAL 68 HA VAL 71 12.832 4.922 1.280 550 HB VAL 68 HB VAL 71 15.377 5.203 2.942 551 1HG1 VAL 68 2HG1 VAL 71 13.640 2.783 2.301 552 2HG1 VAL 68 3HG1 VAL 71 15.212 2.736 3.127 553 3HG1 VAL 68 1HG1 VAL 71 13.839 3.541 3.895 554 1HG2 VAL 68 1HG2 VAL 71 14.881 3.793 0.277 555 2HG2 VAL 68 2HG2 VAL 71 15.901 5.227 0.512 556 3HG2 VAL 68 3HG2 VAL 71 16.370 3.688 1.237 557 H LEU 69 H LEU 72 14.034 7.365 3.614 558 HA LEU 69 HA LEU 72 12.394 6.559 5.794 559 1HB LEU 69 1HB LEU 72 14.339 8.003 6.080 560 2HB LEU 69 2HB LEU 72 13.565 9.291 5.153 561 HG LEU 69 HG LEU 72 11.845 9.570 6.836 562 1HD1 LEU 69 2HD1 LEU 72 13.239 7.326 8.346 563 2HD1 LEU 69 3HD1 LEU 72 11.984 8.401 9.019 564 3HD1 LEU 69 1HD1 LEU 72 11.584 7.312 7.695 565 1HD2 LEU 69 2HD2 LEU 72 14.003 10.789 7.049 566 2HD2 LEU 69 3HD2 LEU 72 13.276 10.469 8.630 567 3HD2 LEU 69 1HD2 LEU 72 14.639 9.481 8.069 568 H VAL 70 H VAL 73 11.937 8.958 3.190 569 HA VAL 70 HA VAL 73 9.384 9.907 3.867 570 HB VAL 70 HB VAL 73 10.612 9.535 1.130 571 1HG1 VAL 70 2HG1 VAL 73 8.130 11.074 1.975 572 2HG1 VAL 70 3HG1 VAL 73 8.971 11.289 0.426 573 3HG1 VAL 70 1HG1 VAL 73 8.213 9.740 0.806 574 1HG2 VAL 70 2HG2 VAL 73 11.840 11.068 2.695 575 2HG2 VAL 70 3HG2 VAL 73 11.106 11.931 1.338 576 3HG2 VAL 70 1HG2 VAL 73 10.340 11.979 2.939 577 H LYS 71 H LYS 74 10.213 7.125 1.728 578 HA LYS 71 HA LYS 74 7.642 6.371 1.002 579 1HB LYS 71 1HB LYS 74 10.156 4.740 1.444 580 2HB LYS 71 2HB LYS 74 8.675 3.998 0.845 581 1HG LYS 71 1HG LYS 74 9.896 6.422 -0.519 582 2HG LYS 71 2HG LYS 74 10.409 4.768 -0.885 583 1HD LYS 71 1HD LYS 74 8.039 4.183 -1.452 584 2HD LYS 71 2HD LYS 74 7.571 5.870 -1.202 585 1HE LYS 71 1HE LYS 74 9.596 4.857 -3.254 586 2HE LYS 71 2HE LYS 74 7.935 5.369 -3.590 587 1HZ LYS 71 1HZ LYS 74 8.516 7.555 -2.805 588 2HZ LYS 71 2HZ LYS 74 10.072 7.083 -2.534 589 3HZ LYS 71 3HZ LYS 74 9.473 7.100 -4.066 590 H LYS 72 H LYS 75 9.297 5.469 4.066 591 HA LYS 72 HA LYS 75 6.699 4.209 4.897 592 1HB LYS 72 1HB LYS 75 8.000 2.870 6.504 593 2HB LYS 72 2HB LYS 75 8.175 2.506 4.797 594 1HG LYS 72 1HG LYS 75 10.267 2.252 5.861 595 2HG LYS 72 2HG LYS 75 10.370 3.577 4.708 596 1HD LYS 72 1HD LYS 75 10.219 5.222 6.522 597 2HD LYS 72 2HD LYS 75 9.938 3.941 7.716 598 1HE LYS 72 1HE LYS 75 12.470 4.210 6.023 599 2HE LYS 72 2HE LYS 75 12.303 4.820 7.681 600 1HZ LYS 72 1HZ LYS 75 11.883 2.583 8.399 601 2HZ LYS 72 2HZ LYS 75 12.076 2.013 6.865 602 3HZ LYS 72 3HZ LYS 75 13.346 2.705 7.649 603 H ILE 73 H ILE 76 6.947 7.035 5.010 604 HA ILE 73 HA ILE 76 7.387 7.846 7.727 605 HB ILE 73 HB ILE 76 5.722 8.970 5.463 606 1HG1 ILE 73 1HG1 ILE 76 8.229 9.078 5.470 607 2HG1 ILE 73 2HG1 ILE 76 7.390 10.622 5.270 608 1HG2 ILE 73 2HG2 ILE 76 5.920 10.051 8.292 609 2HG2 ILE 73 3HG2 ILE 76 5.491 11.055 6.888 610 3HG2 ILE 73 1HG2 ILE 76 4.457 9.707 7.354 611 1HD1 ILE 73 2HD1 ILE 76 8.763 9.604 7.802 612 2HD1 ILE 73 3HD1 ILE 76 9.363 10.838 6.690 613 3HD1 ILE 73 1HD1 ILE 76 7.913 11.162 7.645 614 H SER 74 H SER 77 6.475 6.735 9.307 615 HA SER 74 HA SER 77 3.976 5.358 9.181 616 1HB SER 74 1HB SER 77 5.468 6.094 11.719 617 2HB SER 74 2HB SER 77 4.562 4.622 11.335 618 HG SER 74 HG SER 77 6.323 4.505 9.556 619 H GLN 75 H GLN 78 2.903 7.454 8.344 620 HA GLN 75 HA GLN 78 1.377 9.095 8.611 621 1HB GLN 75 1HB GLN 78 0.724 7.787 11.290 622 2HB GLN 75 2HB GLN 78 -0.348 8.731 10.246 623 1HG GLN 75 1HG GLN 78 0.852 5.975 9.688 624 2HG GLN 75 2HG GLN 78 -0.840 6.352 10.012 625 1HE2 GLN 75 1HE2 GLN 78 -1.372 7.785 6.705 626 2HE2 GLN 75 2HE2 GLN 78 -1.817 8.065 8.379 No H/Q in entry = 627 Start of MODEL 6 Raw file had 628 H/Q atoms Start of MODEL 6 1 1H SER -2 2H SER 1 -5.844 16.839 0.138 2 2H SER -2 3H SER 1 -6.457 16.391 -1.359 3 3H SER -2 1H SER 1 -7.062 15.712 0.057 4 HA SER -2 HA SER 1 -5.675 14.097 -0.658 5 1HB SER -2 1HB SER 1 -3.662 16.097 -1.729 6 2HB SER -2 2HB SER 1 -4.069 14.473 -2.329 7 HG SER -2 HG SER 1 -5.050 16.104 -3.631 8 H ALA -1 H ALA 2 -3.402 13.340 0.158 9 HA ALA -1 HA ALA 2 -2.979 14.065 2.832 10 1HB ALA -1 2HB ALA 2 -1.020 12.859 0.824 11 2HB ALA -1 3HB ALA 2 -0.819 12.864 2.586 12 3HB ALA -1 1HB ALA 2 -2.160 11.961 1.854 13 H GLN 0 H GLN 3 -2.067 15.861 3.725 14 HA GLN 0 HA GLN 3 -1.095 18.013 2.113 15 1HB GLN 0 1HB GLN 3 -0.802 17.577 5.110 16 2HB GLN 0 2HB GLN 3 -0.584 19.106 4.247 17 1HG GLN 0 1HG GLN 3 -3.206 17.531 4.476 18 2HG GLN 0 2HG GLN 3 -2.768 18.989 5.356 19 1HE2 GLN 0 1HE2 GLN 3 -4.053 19.334 1.490 20 2HE2 GLN 0 2HE2 GLN 3 -3.728 17.723 2.121 21 H LYS 1 H LYS 4 0.547 16.077 4.401 22 HA LYS 1 HA LYS 4 3.210 16.736 3.493 23 1HB LYS 1 1HB LYS 4 2.313 14.203 4.950 24 2HB LYS 1 2HB LYS 4 3.982 14.695 4.621 25 1HG LYS 1 1HG LYS 4 1.997 16.131 6.442 26 2HG LYS 1 2HG LYS 4 3.442 15.219 6.903 27 1HD LYS 1 1HD LYS 4 4.662 16.976 5.285 28 2HD LYS 1 2HD LYS 4 3.228 17.957 5.635 29 1HE LYS 1 1HE LYS 4 5.216 16.767 7.607 30 2HE LYS 1 2HE LYS 4 5.091 18.473 7.159 31 1HZ LYS 1 2HZ LYS 4 2.991 16.946 8.535 32 2HZ LYS 1 3HZ LYS 4 4.062 17.966 9.262 33 3HZ LYS 1 1HZ LYS 4 2.960 18.558 8.181 34 H SER 2 H SER 5 4.138 16.180 1.649 35 HA SER 2 HA SER 5 3.362 13.770 0.169 36 1HB SER 2 1HB SER 5 3.043 15.383 -1.859 37 2HB SER 2 2HB SER 5 1.742 15.275 -0.658 38 HG SER 2 HG SER 5 2.334 17.186 0.225 39 HA PRO 3 HA PRO 6 7.612 13.490 -0.772 40 1HB PRO 3 1HB PRO 6 6.805 13.567 -3.701 41 2HB PRO 3 2HB PRO 6 8.026 12.531 -2.908 42 1HG PRO 3 1HG PRO 6 5.550 11.559 -3.373 43 2HG PRO 3 2HG PRO 6 6.316 11.286 -1.777 44 1HD PRO 3 1HD PRO 6 4.205 13.317 -2.508 45 2HD PRO 3 2HD PRO 6 4.354 12.288 -1.053 46 H ALA 4 H ALA 7 6.174 15.716 -3.252 47 HA ALA 4 HA ALA 7 8.439 17.259 -3.662 48 1HB ALA 4 1HB ALA 7 6.417 17.374 -5.079 49 2HB ALA 4 2HB ALA 7 5.530 18.161 -3.754 50 3HB ALA 4 3HB ALA 7 6.896 18.992 -4.530 51 H GLU 5 H GLU 8 5.978 17.770 -1.364 52 HA GLU 5 HA GLU 8 6.932 20.235 -0.244 53 1HB GLU 5 1HB GLU 8 4.607 19.211 0.107 54 2HB GLU 5 2HB GLU 8 5.357 18.114 1.275 55 1HG GLU 5 1HG GLU 8 6.266 20.273 2.421 56 2HG GLU 5 2HG GLU 8 5.113 21.143 1.403 57 H LEU 6 H LEU 9 7.263 16.842 0.869 58 HA LEU 6 HA LEU 9 9.037 17.393 2.996 59 1HB LEU 6 1HB LEU 9 8.678 14.877 1.336 60 2HB LEU 6 2HB LEU 9 9.597 14.930 2.844 61 HG LEU 6 HG LEU 9 6.638 15.693 2.677 62 1HD1 LEU 6 1HD1 LEU 9 6.983 13.322 2.020 63 2HD1 LEU 6 2HD1 LEU 9 7.877 13.053 3.537 64 3HD1 LEU 6 3HD1 LEU 9 6.153 13.478 3.578 65 1HD2 LEU 6 1HD2 LEU 9 8.468 15.025 5.014 66 2HD2 LEU 6 2HD2 LEU 9 7.769 16.620 4.659 67 3HD2 LEU 6 3HD2 LEU 9 6.717 15.283 5.131 68 H LYS 7 H LYS 10 9.647 16.812 -0.287 69 HA LYS 7 HA LYS 10 12.504 16.653 -0.141 70 1HB LYS 7 1HB LYS 10 10.915 15.968 -2.070 71 2HB LYS 7 2HB LYS 10 11.047 17.634 -2.633 72 1HG LYS 7 1HG LYS 10 13.492 15.932 -2.000 73 2HG LYS 7 2HG LYS 10 12.617 15.719 -3.518 74 1HD LYS 7 1HD LYS 10 13.140 17.918 -4.270 75 2HD LYS 7 2HD LYS 10 13.665 18.439 -2.667 76 1HE LYS 7 1HE LYS 10 15.573 17.964 -4.233 77 2HE LYS 7 2HE LYS 10 15.627 17.033 -2.726 78 1HZ LYS 7 2HZ LYS 10 14.634 16.020 -5.295 79 2HZ LYS 7 3HZ LYS 10 16.117 15.705 -4.644 80 3HZ LYS 7 1HZ LYS 10 14.760 15.163 -3.890 81 H SER 8 H SER 11 10.256 19.363 -0.850 82 HA SER 8 HA SER 11 12.206 21.394 -1.173 83 1HB SER 8 1HB SER 11 9.403 21.673 0.006 84 2HB SER 8 2HB SER 11 10.403 22.962 -0.682 85 HG SER 8 HG SER 11 9.412 20.670 -2.062 86 H ILE 9 H ILE 12 10.431 20.356 1.790 87 HA ILE 9 HA ILE 12 11.745 22.149 3.575 88 HB ILE 9 HB ILE 12 10.523 19.412 4.101 89 1HG1 ILE 9 1HG1 ILE 12 9.274 22.111 4.736 90 2HG1 ILE 9 2HG1 ILE 12 9.056 21.401 3.140 91 1HG2 ILE 9 2HG2 ILE 12 11.292 21.683 6.000 92 2HG2 ILE 9 3HG2 ILE 12 10.362 20.253 6.470 93 3HG2 ILE 9 1HG2 ILE 12 12.036 20.077 5.937 94 1HD1 ILE 9 2HD1 ILE 12 8.276 19.995 5.726 95 2HD1 ILE 9 3HD1 ILE 12 7.184 20.850 4.630 96 3HD1 ILE 9 1HD1 ILE 12 8.038 19.396 4.077 97 H PHE 10 H PHE 13 12.491 18.767 2.637 98 HA PHE 10 HA PHE 13 14.757 18.320 4.207 99 1HB PHE 10 1HB PHE 13 13.732 16.574 2.908 100 2HB PHE 10 2HB PHE 13 14.087 17.385 1.394 101 HD1 PHE 10 HD2 PHE 13 16.440 17.577 0.531 102 HD2 PHE 10 HD1 PHE 13 15.399 15.200 3.975 103 HE1 PHE 10 HE2 PHE 13 18.639 16.467 0.438 104 HE2 PHE 10 HE1 PHE 13 17.577 14.029 3.822 105 HZ PHE 10 HZ PHE 13 19.123 14.559 1.982 106 H GLU 11 H GLU 14 14.644 19.755 0.882 107 HA GLU 11 HA GLU 14 17.416 20.328 0.700 108 1HB GLU 11 1HB GLU 14 14.992 21.686 -0.540 109 2HB GLU 11 2HB GLU 14 16.663 22.119 -0.930 110 1HG GLU 11 1HG GLU 14 17.148 19.851 -1.694 111 2HG GLU 11 2HG GLU 14 15.522 19.312 -1.263 112 H LYS 12 H LYS 15 14.708 22.373 1.902 113 HA LYS 12 HA LYS 15 16.205 24.661 2.465 114 1HB LYS 12 1HB LYS 15 13.716 24.491 2.521 115 2HB LYS 12 2HB LYS 15 13.821 23.576 4.020 116 1HG LYS 12 1HG LYS 15 13.242 25.896 4.465 117 2HG LYS 12 2HG LYS 15 14.768 25.457 5.217 118 1HD LYS 12 1HD LYS 15 14.820 27.721 4.225 119 2HD LYS 12 2HD LYS 15 16.053 26.667 3.549 120 1HE LYS 12 1HE LYS 15 14.956 28.057 1.817 121 2HE LYS 12 2HE LYS 15 14.705 26.339 1.500 122 1HZ LYS 12 2HZ LYS 15 12.769 28.141 2.783 123 2HZ LYS 12 3HZ LYS 15 12.708 27.608 1.224 124 3HZ LYS 12 1HZ LYS 15 12.530 26.540 2.465 125 OH TYR 13 OH TYR 16 12.430 21.364 10.391 126 H TYR 13 H TYR 16 15.768 21.738 4.486 127 HA TYR 13 HA TYR 16 17.289 22.815 6.743 128 1HB TYR 13 1HB TYR 16 16.373 20.049 5.905 129 2HB TYR 13 2HB TYR 16 17.515 20.310 7.239 130 HD1 TYR 13 HD2 TYR 16 14.434 22.315 6.432 131 HD2 TYR 13 HD1 TYR 16 16.248 19.412 9.134 132 HE1 TYR 13 HE2 TYR 16 12.591 22.550 8.014 133 HE2 TYR 13 HE1 TYR 16 14.609 19.848 10.707 134 HH TYR 13 HH TYR 16 11.644 21.727 9.964 135 H ALA 14 H ALA 17 17.977 20.367 4.230 136 HA ALA 14 HA ALA 17 20.593 19.767 4.834 137 1HB ALA 14 1HB ALA 17 19.180 18.513 3.220 138 2HB ALA 14 2HB ALA 17 19.220 19.888 2.098 139 3HB ALA 14 3HB ALA 17 20.686 18.965 2.435 140 H ALA 15 H ALA 18 19.400 22.574 3.019 141 HA ALA 15 HA ALA 18 21.857 23.471 1.944 142 1HB ALA 15 1HB ALA 18 19.662 24.401 1.337 143 2HB ALA 15 2HB ALA 18 19.492 25.094 2.967 144 3HB ALA 15 3HB ALA 18 20.767 25.681 1.876 145 H LYS 16 H LYS 19 20.796 23.461 5.304 146 HA LYS 16 HA LYS 19 22.586 25.591 6.147 147 1HB LYS 16 1HB LYS 19 21.003 23.578 7.784 148 2HB LYS 16 2HB LYS 19 21.866 25.008 8.381 149 1HG LYS 16 1HG LYS 19 20.375 26.498 7.199 150 2HG LYS 16 2HG LYS 19 19.622 25.161 6.321 151 1HD LYS 16 1HD LYS 19 18.172 25.954 8.082 152 2HD LYS 16 2HD LYS 19 18.609 24.264 8.324 153 1HE LYS 16 1HE LYS 19 20.135 26.494 9.740 154 2HE LYS 16 2HE LYS 19 18.587 25.906 10.365 155 1HZ LYS 16 1HZ LYS 19 19.477 23.722 10.495 156 2HZ LYS 16 2HZ LYS 19 20.938 24.218 9.923 157 3HZ LYS 16 3HZ LYS 19 20.393 24.774 11.372 158 H GLU 17 H GLU 20 22.474 22.119 7.254 159 HA GLU 17 HA GLU 20 25.461 22.240 7.451 160 1HB GLU 17 1HB GLU 20 23.735 20.388 9.072 161 2HB GLU 17 2HB GLU 20 25.401 20.875 9.332 162 1HG GLU 17 1HG GLU 20 22.925 22.618 9.697 163 2HG GLU 17 2HG GLU 20 23.966 21.965 10.964 164 H GLY 18 H GLY 21 26.538 20.108 7.304 165 1HA GLY 18 1HA GLY 21 26.959 18.101 6.263 166 2HA GLY 18 2HA GLY 21 25.243 17.942 5.861 167 H ASP 19 H ASP 22 24.440 19.394 4.106 168 HA ASP 19 HA ASP 22 25.774 20.877 2.242 169 1HB ASP 19 1HB ASP 22 27.328 19.127 1.638 170 2HB ASP 19 2HB ASP 22 26.076 17.884 1.699 171 HA PRO 20 HA PRO 23 21.483 21.168 1.042 172 1HB PRO 20 1HB PRO 23 21.663 21.308 -1.775 173 2HB PRO 20 2HB PRO 23 21.710 22.645 -0.597 174 1HG PRO 20 1HG PRO 23 24.033 21.152 -1.830 175 2HG PRO 20 2HG PRO 23 23.859 22.917 -1.583 176 1HD PRO 20 1HD PRO 23 25.343 21.544 0.122 177 2HD PRO 20 2HD PRO 23 24.148 22.665 0.799 178 H ASN 21 H ASN 24 23.295 18.443 -0.241 179 HA ASN 21 HA ASN 24 20.815 17.113 -1.132 180 1HB ASN 21 1HB ASN 24 22.692 16.813 -2.608 181 2HB ASN 21 2HB ASN 24 23.783 16.486 -1.262 182 1HD2 ASN 21 1HD2 ASN 24 21.510 13.350 -2.629 183 2HD2 ASN 21 2HD2 ASN 24 20.984 14.991 -3.002 184 H GLN 22 H GLN 25 22.292 17.445 1.940 185 HA GLN 22 HA GLN 25 21.053 14.864 2.773 186 1HB GLN 22 1HB GLN 25 23.168 15.510 4.575 187 2HB GLN 22 2HB GLN 25 23.033 14.073 3.551 188 1HG GLN 22 1HG GLN 25 24.188 15.236 1.686 189 2HG GLN 22 2HG GLN 25 24.287 16.710 2.678 190 1HE2 GLN 22 1HE2 GLN 25 27.104 13.877 3.172 191 2HE2 GLN 22 2HE2 GLN 25 25.859 13.720 1.931 192 H LEU 23 H LEU 26 20.415 14.583 4.852 193 HA LEU 23 HA LEU 26 20.547 17.002 6.479 194 1HB LEU 23 1HB LEU 26 18.736 14.500 6.500 195 2HB LEU 23 2HB LEU 26 18.847 15.499 7.950 196 HG LEU 23 HG LEU 26 17.902 16.709 5.367 197 1HD1 LEU 23 1HD1 LEU 26 16.490 14.650 6.000 198 2HD1 LEU 23 2HD1 LEU 26 16.132 15.473 7.528 199 3HD1 LEU 23 3HD1 LEU 26 15.627 16.200 5.998 200 1HD2 LEU 23 1HD2 LEU 26 17.503 17.334 8.310 201 2HD2 LEU 23 2HD2 LEU 26 18.486 18.256 7.133 202 3HD2 LEU 23 3HD2 LEU 26 16.707 18.158 6.970 203 H SER 24 H SER 27 21.965 17.034 8.118 204 HA SER 24 HA SER 27 23.326 14.583 8.889 205 1HB SER 24 1HB SER 27 23.212 17.325 10.238 206 2HB SER 24 2HB SER 27 24.357 16.025 10.625 207 HG SER 24 HG SER 27 25.188 16.162 8.562 208 H LYS 25 H LYS 28 23.087 13.544 11.007 209 HA LYS 25 HA LYS 28 20.554 12.731 11.703 210 1HB LYS 25 1HB LYS 28 23.016 13.012 13.461 211 2HB LYS 25 2HB LYS 28 21.578 12.074 13.893 212 1HG LYS 25 1HG LYS 28 21.937 10.474 12.171 213 2HG LYS 25 2HG LYS 28 23.053 11.505 11.285 214 1HD LYS 25 1HD LYS 28 24.349 9.801 12.343 215 2HD LYS 25 2HD LYS 28 24.714 11.334 13.141 216 1HE LYS 25 1HE LYS 28 23.126 10.709 14.993 217 2HE LYS 25 2HE LYS 28 22.836 9.162 14.169 218 1HZ LYS 25 2HZ LYS 28 25.448 10.093 15.124 219 2HZ LYS 25 3HZ LYS 28 24.474 9.014 15.906 220 3HZ LYS 25 1HZ LYS 28 25.115 8.628 14.439 221 H GLU 26 H GLU 29 22.376 15.388 13.144 222 HA GLU 26 HA GLU 29 20.607 16.254 15.134 223 1HB GLU 26 1HB GLU 29 22.324 18.147 13.479 224 2HB GLU 26 2HB GLU 29 21.790 18.298 15.149 225 1HG GLU 26 1HG GLU 29 23.951 17.641 15.509 226 2HG GLU 26 2HG GLU 29 23.203 16.043 15.476 227 H GLU 27 H GLU 30 20.685 17.091 11.648 228 HA GLU 27 HA GLU 30 18.558 19.070 11.848 229 1HB GLU 27 1HB GLU 30 19.726 17.648 9.426 230 2HB GLU 27 2HB GLU 30 18.657 19.061 9.416 231 1HG GLU 27 1HG GLU 30 20.329 20.432 10.529 232 2HG GLU 27 2HG GLU 30 21.435 19.055 10.656 233 H LEU 28 H LEU 31 18.884 15.645 10.812 234 HA LEU 28 HA LEU 31 16.265 15.256 9.951 235 1HB LEU 28 1HB LEU 31 18.565 13.594 10.710 236 2HB LEU 28 2HB LEU 31 17.081 12.828 11.273 237 HG LEU 28 HG LEU 31 17.474 13.863 8.473 238 1HD1 LEU 28 1HD1 LEU 31 19.093 12.092 8.939 239 2HD1 LEU 28 2HD1 LEU 31 17.787 11.027 9.508 240 3HD1 LEU 28 3HD1 LEU 31 17.844 11.528 7.807 241 1HD2 LEU 28 2HD2 LEU 31 15.064 13.573 9.162 242 2HD2 LEU 28 3HD2 LEU 31 15.553 12.399 7.937 243 3HD2 LEU 28 1HD2 LEU 31 15.430 11.905 9.637 244 H LYS 29 H LYS 32 17.532 14.547 13.290 245 HA LYS 29 HA LYS 32 14.994 13.856 14.269 246 1HB LYS 29 1HB LYS 32 16.044 13.236 15.984 247 2HB LYS 29 2HB LYS 32 17.467 14.135 15.453 248 1HG LYS 29 1HG LYS 32 15.172 15.557 16.927 249 2HG LYS 29 2HG LYS 32 16.454 14.700 17.814 250 1HD LYS 29 1HD LYS 32 17.359 16.279 15.527 251 2HD LYS 29 2HD LYS 32 16.551 17.264 16.770 252 1HE LYS 29 1HE LYS 32 19.014 17.210 17.133 253 2HE LYS 29 2HE LYS 32 18.132 16.491 18.490 254 1HZ LYS 29 2HZ LYS 32 19.410 14.988 16.312 255 2HZ LYS 29 3HZ LYS 32 20.022 15.182 17.831 256 3HZ LYS 29 1HZ LYS 32 18.627 14.337 17.603 257 H GLN 30 H GLN 33 16.385 17.023 14.016 258 HA GLN 30 HA GLN 33 14.269 18.331 15.304 259 1HB GLN 30 1HB GLN 33 16.152 19.337 13.106 260 2HB GLN 30 2HB GLN 33 14.911 20.377 13.810 261 1HG GLN 30 1HG GLN 33 15.856 20.173 16.021 262 2HG GLN 30 2HG GLN 33 17.026 18.967 15.465 263 1HE2 GLN 30 1HE2 GLN 33 19.277 21.266 14.011 264 2HE2 GLN 30 2HE2 GLN 33 18.765 19.576 14.125 265 H LEU 31 H LEU 34 14.766 17.830 11.697 266 HA LEU 31 HA LEU 34 12.383 18.721 10.766 267 1HB LEU 31 1HB LEU 34 14.235 17.711 9.372 268 2HB LEU 31 2HB LEU 34 13.742 16.127 9.923 269 HG LEU 31 HG LEU 34 11.577 16.294 8.852 270 1HD1 LEU 31 2HD1 LEU 34 12.512 19.060 7.989 271 2HD1 LEU 31 3HD1 LEU 34 11.138 18.194 7.272 272 3HD1 LEU 31 1HD1 LEU 34 11.071 18.687 8.965 273 1HD2 LEU 31 2HD2 LEU 34 13.526 15.460 7.565 274 2HD2 LEU 31 3HD2 LEU 34 12.346 16.276 6.519 275 3HD2 LEU 31 1HD2 LEU 34 13.830 17.121 6.992 276 H ILE 32 H ILE 35 12.900 15.535 11.865 277 HA ILE 32 HA ILE 35 10.220 14.590 11.577 278 HB ILE 32 HB ILE 35 12.258 13.531 13.557 279 1HG1 ILE 32 1HG1 ILE 35 13.311 13.324 11.436 280 2HG1 ILE 32 2HG1 ILE 35 12.658 11.757 11.846 281 1HG2 ILE 32 2HG2 ILE 35 9.732 12.277 12.401 282 2HG2 ILE 32 3HG2 ILE 35 10.952 11.413 13.355 283 3HG2 ILE 32 1HG2 ILE 35 10.024 12.716 14.091 284 1HD1 ILE 32 1HD1 ILE 35 10.744 12.166 10.306 285 2HD1 ILE 32 2HD1 ILE 35 11.467 13.741 9.872 286 3HD1 ILE 32 3HD1 ILE 35 12.321 12.245 9.495 287 H GLN 33 H GLN 36 11.736 15.402 14.538 288 HA GLN 33 HA GLN 36 9.376 15.277 16.144 289 1HB GLN 33 1HB GLN 36 11.905 16.898 16.625 290 2HB GLN 33 2HB GLN 36 10.666 16.575 17.843 291 1HG GLN 33 1HG GLN 36 12.299 14.391 16.450 292 2HG GLN 33 2HG GLN 36 12.658 15.096 18.023 293 1HE2 GLN 33 1HE2 GLN 36 9.534 12.442 17.675 294 2HE2 GLN 33 2HE2 GLN 36 10.196 13.192 16.230 295 H ALA 34 H ALA 37 10.757 18.093 14.460 296 HA ALA 34 HA ALA 37 8.841 19.918 15.621 297 1HB ALA 34 1HB ALA 37 11.096 20.613 14.921 298 2HB ALA 34 2HB ALA 37 10.676 20.280 13.225 299 3HB ALA 34 3HB ALA 37 9.825 21.554 14.117 300 H GLU 35 H GLU 38 9.159 18.469 12.294 301 HA GLU 35 HA GLU 38 6.543 19.744 11.637 302 1HB GLU 35 1HB GLU 38 8.702 18.650 9.825 303 2HB GLU 35 2HB GLU 38 7.177 19.418 9.333 304 1HG GLU 35 1HG GLU 38 7.845 21.466 10.667 305 2HG GLU 35 2HG GLU 38 9.424 20.714 10.948 306 H PHE 36 H PHE 39 7.790 16.444 12.163 307 HA PHE 36 HA PHE 39 5.067 15.515 11.754 308 1HB PHE 36 1HB PHE 39 5.624 13.873 9.964 309 2HB PHE 36 2HB PHE 39 5.417 15.531 9.504 310 HD1 PHE 36 HD1 PHE 39 7.302 16.908 8.678 311 HD2 PHE 36 HD2 PHE 39 7.791 12.743 9.671 312 HE1 PHE 36 HE1 PHE 39 9.251 16.779 7.172 313 HE2 PHE 36 HE2 PHE 39 9.717 12.608 8.121 314 HZ PHE 36 HZ PHE 39 10.468 14.625 6.886 315 HA PRO 37 HA PRO 40 7.587 13.014 14.673 316 1HB PRO 37 1HB PRO 40 5.840 13.112 16.834 317 2HB PRO 37 2HB PRO 40 7.134 14.304 16.527 318 1HG PRO 37 1HG PRO 40 4.221 14.514 15.729 319 2HG PRO 37 2HG PRO 40 5.224 15.741 16.560 320 1HD PRO 37 1HD PRO 40 4.832 15.885 13.906 321 2HD PRO 37 2HD PRO 40 6.466 16.185 14.564 322 H SER 38 H SER 41 4.553 13.008 13.320 323 HA SER 38 HA SER 41 2.864 11.559 12.899 324 1HB SER 38 1HB SER 41 5.235 9.896 11.996 325 2HB SER 38 2HB SER 41 3.631 10.005 11.247 326 HG SER 38 HG SER 41 5.686 11.969 11.392 327 H LEU 39 H LEU 42 3.449 11.191 15.627 328 HA LEU 39 HA LEU 42 3.431 9.705 17.375 329 1HB LEU 39 1HB LEU 42 1.348 8.383 15.592 330 2HB LEU 39 2HB LEU 42 1.476 8.224 17.349 331 HG LEU 39 HG LEU 42 0.815 10.790 15.829 332 1HD1 LEU 39 1HD1 LEU 42 -0.989 9.106 15.817 333 2HD1 LEU 39 2HD1 LEU 42 -0.894 8.982 17.587 334 3HD1 LEU 39 3HD1 LEU 42 -1.414 10.500 16.827 335 1HD2 LEU 39 1HD2 LEU 42 1.010 10.240 18.828 336 2HD2 LEU 39 2HD2 LEU 42 2.003 11.381 17.891 337 3HD2 LEU 39 3HD2 LEU 42 0.280 11.690 18.109 338 H LEU 40 H LEU 43 5.631 9.168 15.883 339 HA LEU 40 HA LEU 43 5.848 6.401 15.101 340 1HB LEU 40 1HB LEU 43 7.900 8.523 15.810 341 2HB LEU 40 2HB LEU 43 8.339 6.921 15.207 342 HG LEU 40 HG LEU 43 6.499 8.766 13.644 343 1HD1 LEU 40 1HD1 LEU 43 8.635 9.930 14.023 344 2HD1 LEU 40 2HD1 LEU 43 9.529 8.507 13.439 345 3HD1 LEU 40 3HD1 LEU 43 8.481 9.423 12.333 346 1HD2 LEU 40 1HD2 LEU 43 8.209 6.372 12.835 347 2HD2 LEU 40 2HD2 LEU 43 6.434 6.403 12.939 348 3HD2 LEU 40 3HD2 LEU 43 7.262 7.388 11.730 349 H LYS 41 H LYS 44 4.689 5.623 17.062 350 HA LYS 41 HA LYS 44 6.349 5.304 19.489 351 1HB LYS 41 1HB LYS 44 4.382 4.253 20.452 352 2HB LYS 41 2HB LYS 44 3.996 5.822 19.747 353 1HG LYS 41 1HG LYS 44 3.018 4.705 17.749 354 2HG LYS 41 2HG LYS 44 3.416 3.120 18.442 355 1HD LYS 41 1HD LYS 44 1.983 3.640 20.408 356 2HD LYS 41 2HD LYS 44 1.615 5.232 19.714 357 1HE LYS 41 1HE LYS 44 0.581 4.137 17.735 358 2HE LYS 41 2HE LYS 44 0.948 2.543 18.421 359 1HZ LYS 41 2HZ LYS 44 -0.802 4.568 19.630 360 2HZ LYS 41 3HZ LYS 44 -1.292 3.201 18.852 361 3HZ LYS 41 1HZ LYS 44 -0.463 3.087 20.270 362 H GLY 42 H GLY 45 5.947 2.787 20.355 363 1HA GLY 42 1HA GLY 45 6.728 0.645 20.159 364 2HA GLY 42 2HA GLY 45 6.168 0.669 18.484 365 HA PRO 43 HA PRO 46 10.724 0.694 17.836 366 1HB PRO 43 1HB PRO 46 10.844 0.406 15.149 367 2HB PRO 43 2HB PRO 46 10.254 -0.912 16.195 368 1HG PRO 43 1HG PRO 46 8.571 1.124 14.701 369 2HG PRO 43 2HG PRO 46 8.406 -0.655 14.673 370 1HD PRO 43 1HD PRO 46 6.909 0.922 16.318 371 2HD PRO 43 2HD PRO 46 7.478 -0.684 16.852 372 NH1 ARG 44 NH1 ARG 47 8.807 5.004 22.300 373 NH2 ARG 44 NH2 ARG 47 6.709 5.957 22.102 374 H ARG 44 H ARG 47 10.157 2.917 18.705 375 HA ARG 44 HA ARG 47 9.701 5.244 17.201 376 1HB ARG 44 1HB ARG 47 9.327 4.940 19.570 377 2HB ARG 44 2HB ARG 47 11.068 4.826 19.885 378 1HG ARG 44 1HG ARG 47 11.393 7.153 19.261 379 2HG ARG 44 2HG ARG 47 9.732 7.295 18.674 380 1HD ARG 44 1HD ARG 47 10.589 6.780 21.559 381 2HD ARG 44 2HD ARG 47 10.081 8.318 20.884 382 HE ARG 44 HE ARG 47 7.867 7.626 20.664 383 1HH1 ARG 44 1HH1 ARG 47 9.782 4.990 22.043 384 2HH1 ARG 44 2HH1 ARG 47 8.438 4.262 22.875 385 1HH2 ARG 44 1HH2 ARG 47 6.117 6.695 21.749 386 2HH2 ARG 44 2HH2 ARG 47 6.313 5.242 22.692 387 H THR 45 H THR 48 11.182 4.550 15.367 388 HA THR 45 HA THR 48 13.986 4.925 15.732 389 HB THR 45 HB THR 48 12.346 4.716 13.169 No match found for entry HG1THR 45 390 1HG2 THR 45 2HG2 THR 48 15.263 4.529 13.999 391 2HG2 THR 45 3HG2 THR 48 14.635 3.824 12.489 392 3HG2 THR 45 1HG2 THR 48 14.612 5.595 12.774 393 H LEU 46 H LEU 49 13.902 7.009 16.709 394 HA LEU 46 HA LEU 49 13.502 9.287 14.820 395 1HB LEU 46 1HB LEU 49 14.412 9.101 17.692 396 2HB LEU 46 2HB LEU 49 14.167 10.630 16.819 397 HG LEU 46 HG LEU 49 11.988 8.560 17.412 398 1HD1 LEU 46 1HD1 LEU 49 12.718 9.825 19.392 399 2HD1 LEU 46 2HD1 LEU 49 12.457 11.354 18.525 400 3HD1 LEU 46 3HD1 LEU 49 11.081 10.295 18.903 401 1HD2 LEU 46 1HD2 LEU 49 11.843 11.226 15.948 402 2HD2 LEU 46 2HD2 LEU 49 11.397 9.623 15.315 403 3HD2 LEU 46 3HD2 LEU 49 10.429 10.357 16.587 404 H ASP 47 H ASP 50 15.829 6.999 15.457 405 HA ASP 47 HA ASP 50 17.558 8.308 13.665 406 1HB ASP 47 1HB ASP 50 18.211 9.552 15.812 407 2HB ASP 47 2HB ASP 50 18.660 7.991 16.514 408 H ASP 48 H ASP 51 16.997 5.374 15.502 409 HA ASP 48 HA ASP 51 19.335 3.992 14.982 410 1HB ASP 48 1HB ASP 51 17.509 3.034 16.283 411 2HB ASP 48 2HB ASP 51 16.481 2.905 14.852 412 H LEU 49 H LEU 52 16.555 3.919 12.665 413 HA LEU 49 HA LEU 52 18.261 2.675 10.691 414 1HB LEU 49 1HB LEU 52 16.505 2.499 9.260 415 2HB LEU 49 2HB LEU 52 15.808 2.327 10.858 416 HG LEU 49 HG LEU 52 15.201 4.898 10.562 417 1HD1 LEU 49 2HD1 LEU 52 15.498 3.972 7.664 418 2HD1 LEU 49 3HD1 LEU 52 14.686 5.457 8.194 419 3HD1 LEU 49 1HD1 LEU 52 16.423 5.276 8.422 420 1HD2 LEU 49 2HD2 LEU 52 13.553 3.014 10.686 421 2HD2 LEU 49 3HD2 LEU 52 13.072 4.229 9.496 422 3HD2 LEU 49 1HD2 LEU 52 13.806 2.703 8.963 423 H PHE 50 H PHE 53 17.487 6.001 11.521 424 HA PHE 50 HA PHE 53 18.288 7.305 9.135 425 1HB PHE 50 1HB PHE 53 18.713 8.201 11.984 426 2HB PHE 50 2HB PHE 53 18.764 9.241 10.659 427 HD1 PHE 50 HD1 PHE 53 15.971 7.062 9.981 428 HD2 PHE 50 HD2 PHE 53 17.204 10.534 12.226 429 HE1 PHE 50 HE1 PHE 53 13.647 7.423 10.708 430 HE2 PHE 50 HE2 PHE 53 14.841 11.060 12.668 431 HZ PHE 50 HZ PHE 53 13.064 9.419 12.047 432 H GLN 51 H GLN 54 20.137 6.150 11.976 433 HA GLN 51 HA GLN 54 22.673 7.053 11.129 434 1HB GLN 51 1HB GLN 54 22.225 6.364 13.426 435 2HB GLN 51 2HB GLN 54 21.865 4.714 12.919 436 1HG GLN 51 1HG GLN 54 24.083 4.856 13.909 437 2HG GLN 51 2HG GLN 54 24.217 4.381 12.218 438 1HE2 GLN 51 1HE2 GLN 54 25.866 7.442 11.244 439 2HE2 GLN 51 2HE2 GLN 54 24.852 6.131 10.629 440 H GLU 52 H GLU 55 20.866 4.020 10.492 441 HA GLU 52 HA GLU 55 22.933 2.701 9.034 442 1HB GLU 52 1HB GLU 55 20.778 1.685 9.931 443 2HB GLU 52 2HB GLU 55 19.939 2.409 8.545 444 1HG GLU 52 1HG GLU 55 21.482 1.169 7.008 445 2HG GLU 52 2HG GLU 55 22.220 0.395 8.420 446 H LEU 53 H LEU 56 20.369 4.977 8.075 447 HA LEU 53 HA LEU 56 21.088 5.092 5.240 448 1HB LEU 53 1HB LEU 56 19.358 6.855 7.004 449 2HB LEU 53 2HB LEU 56 19.478 6.997 5.264 450 HG LEU 53 HG LEU 56 18.302 4.633 6.749 451 1HD1 LEU 53 1HD1 LEU 56 16.960 6.752 6.689 452 2HD1 LEU 53 2HD1 LEU 56 17.074 6.750 4.924 453 3HD1 LEU 53 3HD1 LEU 56 16.206 5.445 5.755 454 1HD2 LEU 53 1HD2 LEU 56 18.631 5.088 3.753 455 2HD2 LEU 53 2HD2 LEU 56 19.355 3.777 4.717 456 3HD2 LEU 53 3HD2 LEU 56 17.608 3.845 4.497 457 H ASP 54 H ASP 57 23.150 5.929 7.562 458 HA ASP 54 HA ASP 57 23.684 8.674 6.640 459 1HB ASP 54 1HB ASP 57 23.763 7.968 9.044 460 2HB ASP 54 2HB ASP 57 25.164 6.956 8.639 461 H LYS 55 H LYS 58 24.395 8.682 4.651 462 HA LYS 55 HA LYS 58 25.829 7.222 3.038 463 1HB LYS 55 1HB LYS 58 25.148 9.600 2.713 464 2HB LYS 55 2HB LYS 58 26.573 10.113 3.612 465 1HG LYS 55 1HG LYS 58 28.017 9.027 1.887 466 2HG LYS 55 2HG LYS 58 26.561 8.510 1.014 467 1HD LYS 55 1HD LYS 58 25.905 10.888 0.722 468 2HD LYS 55 2HD LYS 58 27.348 11.401 1.629 469 1HE LYS 55 1HE LYS 58 28.802 10.370 -0.093 470 2HE LYS 55 2HE LYS 58 27.370 9.822 -0.989 471 1HZ LYS 55 2HZ LYS 58 28.080 12.619 -0.445 472 2HZ LYS 55 3HZ LYS 58 28.261 11.834 -1.882 473 3HZ LYS 55 1HZ LYS 58 26.753 12.108 -1.279 474 H ASN 56 H ASN 59 27.660 9.005 5.661 475 HA ASN 56 HA ASN 59 29.880 7.014 5.244 476 1HB ASN 56 1HB ASN 59 30.247 9.974 5.833 477 2HB ASN 56 2HB ASN 59 31.505 8.753 5.741 478 1HD2 ASN 56 1HD2 ASN 59 30.530 8.583 1.987 479 2HD2 ASN 56 2HD2 ASN 59 29.868 7.550 3.243 480 H GLY 57 H GLY 60 27.684 6.802 7.067 481 1HA GLY 57 1HA GLY 60 27.235 6.417 9.289 482 2HA GLY 57 2HA GLY 60 28.831 5.679 9.235 483 H ASP 58 H ASP 61 27.915 9.170 9.127 484 HA ASP 58 HA ASP 61 29.237 9.554 11.770 485 1HB ASP 58 1HB ASP 61 30.454 11.507 10.886 486 2HB ASP 58 2HB ASP 61 30.987 9.946 10.255 487 H GLY 59 H GLY 62 27.765 11.766 9.340 488 1HA GLY 59 1HA GLY 62 25.500 12.356 11.085 489 2HA GLY 59 2HA GLY 62 26.736 13.630 11.084 490 H GLU 60 H GLU 63 25.041 11.458 8.795 491 HA GLU 60 HA GLU 63 24.255 13.686 7.001 492 1HB GLU 60 1HB GLU 63 25.758 11.186 6.108 493 2HB GLU 60 2HB GLU 63 25.203 12.499 5.067 494 1HG GLU 60 1HG GLU 63 26.851 14.041 6.074 495 2HG GLU 60 2HG GLU 63 27.418 12.762 7.150 496 H VAL 61 H VAL 64 22.752 12.845 5.434 497 HA VAL 61 HA VAL 64 21.966 10.186 5.042 498 HB VAL 61 HB VAL 64 19.871 11.903 6.480 499 1HG1 VAL 61 2HG1 VAL 64 19.633 9.244 5.019 500 2HG1 VAL 61 3HG1 VAL 64 18.346 9.950 6.015 501 3HG1 VAL 61 1HG1 VAL 64 18.877 10.774 4.552 502 1HG2 VAL 61 1HG2 VAL 64 21.192 9.286 7.284 503 2HG2 VAL 61 2HG2 VAL 64 20.997 10.777 8.242 504 3HG2 VAL 61 3HG2 VAL 64 19.610 9.754 7.905 505 H SER 62 H SER 65 22.317 10.525 2.979 506 HA SER 62 HA SER 65 21.787 13.049 1.707 507 1HB SER 62 1HB SER 65 22.602 11.962 -0.282 508 2HB SER 62 2HB SER 65 23.608 11.574 1.138 509 HG SER 62 HG SER 65 22.617 9.566 1.240 510 H PHE 63 H PHE 66 20.222 13.431 -0.050 511 HA PHE 63 HA PHE 66 17.605 12.855 0.569 512 1HB PHE 63 1HB PHE 66 18.218 14.585 -1.044 513 2HB PHE 63 2HB PHE 66 18.732 13.366 -2.204 514 HD1 PHE 63 HD1 PHE 66 15.749 14.392 -0.150 515 HD2 PHE 63 HD2 PHE 66 17.143 12.428 -3.731 516 HE1 PHE 63 HE1 PHE 66 13.423 13.727 -0.706 517 HE2 PHE 63 HE2 PHE 66 14.814 11.832 -4.309 518 HZ PHE 63 HZ PHE 66 12.952 12.464 -2.793 519 H GLU 64 H GLU 67 19.571 11.135 -1.846 520 HA GLU 64 HA GLU 67 17.710 9.287 -2.713 521 1HB GLU 64 1HB GLU 67 19.671 7.850 -3.277 522 2HB GLU 64 2HB GLU 67 19.694 9.479 -3.944 523 1HG GLU 64 1HG GLU 67 21.161 8.962 -1.355 524 2HG GLU 64 2HG GLU 67 21.837 8.358 -2.856 525 H GLU 65 H GLU 68 19.628 9.191 0.283 526 HA GLU 65 HA GLU 68 18.753 6.501 1.015 527 1HB GLU 65 1HB GLU 68 20.213 8.684 2.599 528 2HB GLU 65 2HB GLU 68 19.910 7.043 3.149 529 1HG GLU 65 1HG GLU 68 21.264 6.082 1.423 530 2HG GLU 65 2HG GLU 68 21.491 7.643 0.632 531 H PHE 66 H PHE 69 18.087 9.841 2.052 532 HA PHE 66 HA PHE 69 16.223 9.546 4.050 533 1HB PHE 66 1HB PHE 69 17.160 11.697 3.311 534 2HB PHE 66 2HB PHE 69 16.257 11.582 1.812 535 HD1 PHE 66 HD1 PHE 69 15.498 11.474 5.512 536 HD2 PHE 66 HD2 PHE 69 14.428 12.964 1.607 537 HE1 PHE 66 HE1 PHE 69 13.662 12.820 6.514 538 HE2 PHE 66 HE2 PHE 69 12.643 14.343 2.622 539 HZ PHE 66 HZ PHE 69 12.249 14.266 5.071 540 H GLN 67 H GLN 70 15.617 9.256 0.551 541 HA GLN 67 HA GLN 70 12.868 9.163 0.352 542 1HB GLN 67 1HB GLN 70 14.892 7.237 -0.839 543 2HB GLN 67 2HB GLN 70 13.196 7.316 -1.336 544 1HG GLN 67 1HG GLN 70 13.433 9.647 -2.035 545 2HG GLN 67 2HG GLN 70 15.126 9.664 -1.550 546 1HE2 GLN 67 1HE2 GLN 70 16.040 7.288 -4.237 547 2HE2 GLN 67 2HE2 GLN 70 16.259 7.384 -2.493 548 H VAL 68 H VAL 71 14.958 6.532 1.633 549 HA VAL 68 HA VAL 71 12.935 4.567 1.941 550 HB VAL 68 HB VAL 71 15.529 5.007 3.483 551 1HG1 VAL 68 2HG1 VAL 71 13.733 2.552 3.311 552 2HG1 VAL 68 3HG1 VAL 71 15.390 2.548 3.949 553 3HG1 VAL 68 1HG1 VAL 71 14.140 3.482 4.772 554 1HG2 VAL 68 1HG2 VAL 71 14.885 3.252 1.070 555 2HG2 VAL 68 2HG2 VAL 71 15.885 4.719 1.042 556 3HG2 VAL 68 3HG2 VAL 71 16.436 3.299 1.932 557 H LEU 69 H LEU 72 13.892 7.267 4.051 558 HA LEU 69 HA LEU 72 12.245 6.440 6.298 559 1HB LEU 69 1HB LEU 72 14.252 7.843 6.473 560 2HB LEU 69 2HB LEU 72 13.500 9.141 5.555 561 HG LEU 69 HG LEU 72 12.414 8.124 8.180 562 1HD1 LEU 69 1HD1 LEU 72 14.745 9.043 8.391 563 2HD1 LEU 69 2HD1 LEU 72 14.222 10.509 7.553 564 3HD1 LEU 69 3HD1 LEU 72 13.564 10.127 9.154 565 1HD2 LEU 69 1HD2 LEU 72 11.873 10.660 6.564 566 2HD2 LEU 69 2HD2 LEU 72 10.707 9.395 7.010 567 3HD2 LEU 69 3HD2 LEU 72 11.377 10.433 8.253 568 H VAL 70 H VAL 73 12.107 9.010 3.893 569 HA VAL 70 HA VAL 73 9.634 10.127 4.288 570 HB VAL 70 HB VAL 73 11.047 9.552 1.648 571 1HG1 VAL 70 2HG1 VAL 73 8.624 11.322 2.125 572 2HG1 VAL 70 3HG1 VAL 73 9.668 11.422 0.693 573 3HG1 VAL 70 1HG1 VAL 73 8.748 9.951 1.002 574 1HG2 VAL 70 2HG2 VAL 73 12.216 11.034 3.284 575 2HG2 VAL 70 3HG2 VAL 73 11.727 11.886 1.808 576 3HG2 VAL 70 1HG2 VAL 73 10.793 12.092 3.308 577 H LYS 71 H LYS 74 10.211 7.097 2.451 578 HA LYS 71 HA LYS 74 7.694 6.655 1.409 579 1HB LYS 71 1HB LYS 74 9.773 4.786 2.572 580 2HB LYS 71 2HB LYS 74 8.255 4.134 1.954 581 1HG LYS 71 1HG LYS 74 10.040 5.933 0.269 582 2HG LYS 71 2HG LYS 74 10.230 4.176 0.350 583 1HD LYS 71 1HD LYS 74 7.847 3.901 -0.386 584 2HD LYS 71 2HD LYS 74 7.731 5.660 -0.577 585 1HE LYS 71 1HE LYS 74 9.566 5.615 -2.239 586 2HE LYS 71 2HE LYS 74 9.674 3.852 -2.068 587 1HZ LYS 71 1HZ LYS 74 7.414 3.705 -2.830 588 2HZ LYS 71 2HZ LYS 74 7.316 5.341 -2.993 589 3HZ LYS 71 3HZ LYS 74 8.352 4.480 -3.941 590 H LYS 72 H LYS 75 8.548 6.323 4.872 591 HA LYS 72 HA LYS 75 5.953 5.089 5.500 592 1HB LYS 72 1HB LYS 75 8.114 6.236 7.321 593 2HB LYS 72 2HB LYS 75 6.661 5.372 7.819 594 1HG LYS 72 1HG LYS 75 8.074 3.628 7.891 595 2HG LYS 72 2HG LYS 75 7.570 3.463 6.203 596 1HD LYS 72 1HD LYS 75 9.648 4.632 5.484 597 2HD LYS 72 2HD LYS 75 10.085 4.916 7.177 598 1HE LYS 72 1HE LYS 75 10.151 2.414 7.523 599 2HE LYS 72 2HE LYS 75 9.814 2.211 5.791 600 1HZ LYS 72 1HZ LYS 75 11.822 3.478 5.365 601 2HZ LYS 72 2HZ LYS 75 12.154 3.526 6.976 602 3HZ LYS 72 3HZ LYS 75 12.128 2.076 6.189 603 H ILE 73 H ILE 76 7.172 8.314 5.103 604 HA ILE 73 HA ILE 76 5.222 9.605 6.851 605 HB ILE 73 HB ILE 76 6.972 10.924 4.745 606 1HG1 ILE 73 1HG1 ILE 76 8.513 9.565 5.997 607 2HG1 ILE 73 2HG1 ILE 76 8.705 11.264 6.416 608 1HG2 ILE 73 2HG2 ILE 76 5.795 11.931 7.364 609 2HG2 ILE 73 3HG2 ILE 76 6.876 12.841 6.291 610 3HG2 ILE 73 1HG2 ILE 76 5.270 12.358 5.728 611 1HD1 ILE 73 1HD1 ILE 76 7.387 10.770 8.524 612 2HD1 ILE 73 2HD1 ILE 76 7.360 9.059 8.024 613 3HD1 ILE 73 3HD1 ILE 76 8.903 9.861 8.347 614 H SER 74 H SER 77 5.897 9.466 3.296 615 HA SER 74 HA SER 77 3.141 9.285 2.590 616 1HB SER 74 1HB SER 77 3.176 11.715 3.284 617 2HB SER 74 2HB SER 77 4.439 12.005 2.071 618 HG SER 74 HG SER 77 2.132 12.384 1.509 619 H GLN 75 H GLN 78 2.931 9.556 0.158 620 HA GLN 75 HA GLN 78 5.406 8.994 -1.358 621 1HB GLN 75 1HB GLN 78 3.073 7.027 -1.304 622 2HB GLN 75 2HB GLN 78 4.591 6.895 -2.212 623 1HG GLN 75 1HG GLN 78 5.805 6.886 0.023 624 2HG GLN 75 2HG GLN 78 4.222 6.765 0.817 625 1HE2 GLN 75 1HE2 GLN 78 5.154 3.303 0.765 626 2HE2 GLN 75 2HE2 GLN 78 5.313 4.780 1.713 No H/Q in entry = 627 Start of MODEL 7 Raw file had 628 H/Q atoms Start of MODEL 7 1 1H SER -2 2H SER 1 -1.493 18.190 -4.503 2 2H SER -2 3H SER 1 -2.034 16.662 -4.880 3 3H SER -2 1H SER 1 -0.391 17.041 -4.614 4 HA SER -2 HA SER 1 -0.807 16.751 -6.965 5 1HB SER -2 1HB SER 1 -2.983 18.858 -6.653 6 2HB SER -2 2HB SER 1 -2.670 17.765 -8.034 7 HG SER -2 HG SER 1 -4.325 16.930 -6.670 8 H ALA -1 H ALA 2 -1.438 19.783 -7.925 9 HA ALA -1 HA ALA 2 1.234 20.700 -8.034 10 1HB ALA -1 2HB ALA 2 -1.362 22.327 -7.992 11 2HB ALA -1 3HB ALA 2 0.232 22.924 -8.497 12 3HB ALA -1 1HB ALA 2 -0.569 21.647 -9.431 13 H GLN 0 H GLN 3 -1.427 21.482 -5.780 14 HA GLN 0 HA GLN 3 0.449 22.512 -3.757 15 1HB GLN 0 1HB GLN 3 -1.676 23.701 -4.068 16 2HB GLN 0 2HB GLN 3 -2.596 22.211 -3.800 17 1HG GLN 0 1HG GLN 3 -2.547 23.713 -1.804 18 2HG GLN 0 2HG GLN 3 -1.893 22.109 -1.485 19 1HE2 GLN 0 1HE2 GLN 3 0.585 25.397 -1.310 20 2HE2 GLN 0 2HE2 GLN 3 -1.009 25.545 -2.026 21 H LYS 1 H LYS 4 0.991 21.271 -1.997 22 HA LYS 1 HA LYS 4 1.687 19.540 -0.917 23 1HB LYS 1 1HB LYS 4 -1.165 18.693 -1.173 24 2HB LYS 1 2HB LYS 4 0.044 17.886 -0.129 25 1HG LYS 1 1HG LYS 4 -0.558 20.865 0.061 26 2HG LYS 1 2HG LYS 4 -1.510 19.685 0.953 27 1HD LYS 1 1HD LYS 4 0.258 19.015 2.320 28 2HD LYS 1 2HD LYS 4 1.516 19.644 1.262 29 1HE LYS 1 1HE LYS 4 -0.475 21.432 2.713 30 2HE LYS 1 2HE LYS 4 1.123 21.003 3.344 31 1HZ LYS 1 2HZ LYS 4 0.678 22.392 0.787 32 2HZ LYS 1 3HZ LYS 4 1.134 23.096 2.204 33 3HZ LYS 1 1HZ LYS 4 2.132 22.023 1.459 34 H SER 2 H SER 5 3.115 18.150 -1.464 35 HA SER 2 HA SER 5 2.715 15.761 -2.970 36 1HB SER 2 1HB SER 5 2.999 16.514 -5.106 37 2HB SER 2 2HB SER 5 3.042 18.179 -4.550 38 HG SER 2 HG SER 5 4.918 17.702 -5.655 39 HA PRO 3 HA PRO 6 6.602 14.929 -0.965 40 1HB PRO 3 1HB PRO 6 8.280 13.930 -2.949 41 2HB PRO 3 2HB PRO 6 6.994 13.001 -2.131 42 1HG PRO 3 1HG PRO 6 6.811 14.464 -4.778 43 2HG PRO 3 2HG PRO 6 6.291 12.790 -4.413 44 1HD PRO 3 1HD PRO 6 4.503 14.764 -4.453 45 2HD PRO 3 2HD PRO 6 4.437 13.588 -3.116 46 H ALA 4 H ALA 7 6.505 17.044 -3.819 47 HA ALA 4 HA ALA 7 9.077 18.125 -3.662 48 1HB ALA 4 1HB ALA 7 7.476 18.580 -5.516 49 2HB ALA 4 2HB ALA 7 6.479 19.541 -4.396 50 3HB ALA 4 3HB ALA 7 8.114 20.085 -4.824 51 H GLU 5 H GLU 8 6.386 18.606 -1.656 52 HA GLU 5 HA GLU 8 7.230 21.020 -0.283 53 1HB GLU 5 1HB GLU 8 5.488 18.701 0.693 54 2HB GLU 5 2HB GLU 8 5.668 20.252 1.520 55 1HG GLU 5 1HG GLU 8 4.574 19.964 -1.325 56 2HG GLU 5 2HG GLU 8 3.598 20.005 0.149 57 H LEU 6 H LEU 9 7.514 17.543 0.461 58 HA LEU 6 HA LEU 9 9.113 17.780 2.778 59 1HB LEU 6 1HB LEU 9 9.203 15.509 0.751 60 2HB LEU 6 2HB LEU 9 9.709 15.438 2.434 61 HG LEU 6 HG LEU 9 6.835 15.844 1.470 62 1HD1 LEU 6 1HD1 LEU 9 7.734 13.588 0.993 63 2HD1 LEU 6 2HD1 LEU 9 8.223 13.421 2.692 64 3HD1 LEU 6 3HD1 LEU 9 6.502 13.541 2.267 65 1HD2 LEU 6 1HD2 LEU 9 7.995 15.429 4.259 66 2HD2 LEU 6 2HD2 LEU 9 7.180 16.900 3.672 67 3HD2 LEU 6 3HD2 LEU 9 6.265 15.398 3.859 68 H LYS 7 H LYS 10 9.896 17.332 -0.497 69 HA LYS 7 HA LYS 10 12.714 17.284 -0.391 70 1HB LYS 7 1HB LYS 10 11.018 16.976 -2.416 71 2HB LYS 7 2HB LYS 10 11.407 18.670 -2.731 72 1HG LYS 7 1HG LYS 10 13.309 16.291 -2.588 73 2HG LYS 7 2HG LYS 10 12.811 17.171 -4.034 74 1HD LYS 7 1HD LYS 10 13.940 19.236 -3.092 75 2HD LYS 7 2HD LYS 10 14.581 18.228 -1.780 76 1HE LYS 7 1HE LYS 10 15.118 17.758 -4.737 77 2HE LYS 7 2HE LYS 10 16.214 18.552 -3.596 78 1HZ LYS 7 1HZ LYS 10 16.262 16.533 -2.317 79 2HZ LYS 7 2HZ LYS 10 15.280 15.776 -3.399 80 3HZ LYS 7 3HZ LYS 10 16.781 16.273 -3.856 81 H SER 8 H SER 11 10.517 20.138 -0.766 82 HA SER 8 HA SER 11 12.582 22.079 -0.858 83 1HB SER 8 1HB SER 11 9.727 22.390 0.178 84 2HB SER 8 2HB SER 11 10.836 23.700 -0.267 85 HG SER 8 HG SER 11 9.861 21.652 -1.988 86 H ILE 9 H ILE 12 10.617 21.032 2.022 87 HA ILE 9 HA ILE 12 12.006 22.689 3.873 88 HB ILE 9 HB ILE 12 10.707 19.974 4.336 89 1HG1 ILE 9 1HG1 ILE 12 9.586 22.785 4.781 90 2HG1 ILE 9 2HG1 ILE 12 9.229 21.814 3.355 91 1HG2 ILE 9 1HG2 ILE 12 12.255 20.641 6.194 92 2HG2 ILE 9 2HG2 ILE 12 11.402 22.188 6.328 93 3HG2 ILE 9 3HG2 ILE 12 10.576 20.666 6.712 94 1HD1 ILE 9 1HD1 ILE 12 8.292 20.017 4.825 95 2HD1 ILE 9 2HD1 ILE 12 8.453 21.132 6.206 96 3HD1 ILE 9 3HD1 ILE 12 7.403 21.552 4.848 97 H PHE 10 H PHE 13 12.591 19.333 2.893 98 HA PHE 10 HA PHE 13 14.877 18.702 4.370 99 1HB PHE 10 1HB PHE 13 13.601 17.094 3.102 100 2HB PHE 10 2HB PHE 13 13.921 17.924 1.594 101 HD1 PHE 10 HD2 PHE 13 16.170 17.902 0.522 102 HD2 PHE 10 HD1 PHE 13 15.096 15.385 3.866 103 HE1 PHE 10 HE2 PHE 13 18.008 16.365 -0.039 104 HE2 PHE 10 HE1 PHE 13 16.922 13.838 3.271 105 HZ PHE 10 HZ PHE 13 18.432 14.351 1.387 106 H GLU 11 H GLU 14 14.697 20.259 1.109 107 HA GLU 11 HA GLU 14 17.491 20.466 0.808 108 1HB GLU 11 1HB GLU 14 17.170 21.266 -1.194 109 2HB GLU 11 2HB GLU 14 15.516 20.726 -0.951 110 1HG GLU 11 1HG GLU 14 15.026 23.119 -0.143 111 2HG GLU 11 2HG GLU 14 16.654 23.527 -0.701 112 H LYS 12 H LYS 15 15.147 22.731 2.276 113 HA LYS 12 HA LYS 15 17.062 24.863 2.590 114 1HB LYS 12 1HB LYS 15 14.592 24.176 4.234 115 2HB LYS 12 2HB LYS 15 15.506 25.678 4.375 116 1HG LYS 12 1HG LYS 15 14.119 24.747 1.820 117 2HG LYS 12 2HG LYS 15 13.435 25.861 3.004 118 1HD LYS 12 1HD LYS 15 15.339 27.433 2.600 119 2HD LYS 12 2HD LYS 15 15.962 26.331 1.352 120 1HE LYS 12 1HE LYS 15 13.846 26.541 0.082 121 2HE LYS 12 2HE LYS 15 13.220 27.664 1.306 122 1HZ LYS 12 1HZ LYS 15 15.023 29.139 0.778 123 2HZ LYS 12 2HZ LYS 15 15.600 28.094 -0.359 124 3HZ LYS 12 3HZ LYS 15 14.130 28.807 -0.566 125 OH TYR 13 OH TYR 16 12.160 21.748 9.473 126 H TYR 13 H TYR 16 16.209 22.073 4.676 127 HA TYR 13 HA TYR 16 17.963 22.893 6.846 128 1HB TYR 13 1HB TYR 16 16.794 20.216 6.013 129 2HB TYR 13 2HB TYR 16 17.816 20.434 7.433 130 HD1 TYR 13 HD1 TYR 16 15.483 23.223 6.809 131 HD2 TYR 13 HD2 TYR 16 15.936 19.351 8.753 132 HE1 TYR 13 HE1 TYR 16 13.323 23.488 7.904 133 HE2 TYR 13 HE2 TYR 16 13.809 19.620 9.741 134 HH TYR 13 HH TYR 16 11.771 20.945 9.844 135 H ALA 14 H ALA 17 18.299 20.695 4.056 136 HA ALA 14 HA ALA 17 20.916 19.796 4.582 137 1HB ALA 14 2HB ALA 17 19.356 20.212 1.983 138 2HB ALA 14 3HB ALA 17 20.822 19.247 2.097 139 3HB ALA 14 1HB ALA 17 19.394 18.744 2.986 140 H ALA 15 H ALA 18 19.774 22.587 2.659 141 HA ALA 15 HA ALA 18 22.262 23.631 1.868 142 1HB ALA 15 1HB ALA 18 20.112 24.397 0.952 143 2HB ALA 15 2HB ALA 18 19.688 25.126 2.518 144 3HB ALA 15 3HB ALA 18 21.058 25.759 1.586 145 H LYS 16 H LYS 19 20.456 24.029 4.945 146 HA LYS 16 HA LYS 19 22.006 26.061 6.102 147 1HB LYS 16 1HB LYS 19 19.883 24.860 6.994 148 2HB LYS 16 2HB LYS 19 21.012 23.673 7.684 149 1HG LYS 16 1HG LYS 19 22.211 25.650 8.788 150 2HG LYS 16 2HG LYS 19 20.820 26.632 8.323 151 1HD LYS 16 1HD LYS 19 20.881 24.165 10.134 152 2HD LYS 16 2HD LYS 19 20.567 25.830 10.626 153 1HE LYS 16 1HE LYS 19 18.765 24.044 8.924 154 2HE LYS 16 2HE LYS 19 18.481 24.578 10.581 155 1HZ LYS 16 1HZ LYS 19 18.360 26.828 9.774 156 2HZ LYS 16 2HZ LYS 19 18.605 26.322 8.225 157 3HZ LYS 16 3HZ LYS 19 17.240 25.874 9.032 158 H GLU 17 H GLU 20 22.670 22.559 5.792 159 HA GLU 17 HA GLU 20 25.136 22.688 7.374 160 1HB GLU 17 1HB GLU 20 24.116 20.511 5.486 161 2HB GLU 17 2HB GLU 20 25.466 20.395 6.622 162 1HG GLU 17 1HG GLU 20 23.892 20.806 8.517 163 2HG GLU 17 2HG GLU 20 22.542 20.876 7.369 164 H GLY 18 H GLY 21 24.214 22.411 3.926 165 1HA GLY 18 1HA GLY 21 25.917 24.149 2.747 166 2HA GLY 18 2HA GLY 21 26.991 22.757 2.988 167 H ASP 19 H ASP 22 26.149 20.620 2.213 168 HA ASP 19 HA ASP 22 25.423 20.755 -0.533 169 1HB ASP 19 1HB ASP 22 26.733 18.925 0.420 170 2HB ASP 19 2HB ASP 22 25.369 18.431 1.435 171 HA PRO 20 HA PRO 23 21.039 21.304 0.588 172 1HB PRO 20 1HB PRO 23 19.940 21.796 -1.842 173 2HB PRO 20 2HB PRO 23 21.016 22.958 -1.016 174 1HG PRO 20 1HG PRO 23 21.800 20.921 -3.125 175 2HG PRO 20 2HG PRO 23 22.135 22.680 -3.133 176 1HD PRO 20 1HD PRO 23 23.962 20.888 -2.239 177 2HD PRO 20 2HD PRO 23 23.755 22.463 -1.418 178 H ASN 21 H ASN 24 22.397 18.555 -0.886 179 HA ASN 21 HA ASN 24 19.743 17.326 -1.386 180 1HB ASN 21 1HB ASN 24 21.457 17.276 -3.182 181 2HB ASN 21 2HB ASN 24 22.523 16.348 -2.115 182 1HD2 ASN 21 1HD2 ASN 24 21.067 13.310 -3.188 183 2HD2 ASN 21 2HD2 ASN 24 22.488 14.175 -2.624 184 H GLN 22 H GLN 25 21.666 17.542 1.363 185 HA GLN 22 HA GLN 25 20.507 14.995 2.346 186 1HB GLN 22 1HB GLN 25 23.183 15.495 3.433 187 2HB GLN 22 2HB GLN 25 22.491 13.989 2.863 188 1HG GLN 22 1HG GLN 25 23.151 14.650 0.489 189 2HG GLN 22 2HG GLN 25 23.872 16.124 1.173 190 1HE2 GLN 22 1HE2 GLN 25 26.882 14.211 1.147 191 2HE2 GLN 22 2HE2 GLN 25 25.980 15.474 0.322 192 H LEU 23 H LEU 26 20.382 14.866 4.676 193 HA LEU 23 HA LEU 26 21.453 17.170 5.967 194 1HB LEU 23 1HB LEU 26 19.323 16.481 7.649 195 2HB LEU 23 2HB LEU 26 19.543 17.967 6.708 196 HG LEU 23 HG LEU 26 18.216 17.179 4.988 197 1HD1 LEU 23 2HD1 LEU 26 18.480 14.515 6.418 198 2HD1 LEU 23 3HD1 LEU 26 16.924 14.816 5.627 199 3HD1 LEU 23 1HD1 LEU 26 18.421 14.810 4.686 200 1HD2 LEU 23 2HD2 LEU 26 17.078 18.143 6.929 201 2HD2 LEU 23 3HD2 LEU 26 16.041 16.975 6.109 202 3HD2 LEU 23 1HD2 LEU 26 16.851 16.531 7.628 203 H SER 24 H SER 27 22.221 16.771 8.074 204 HA SER 24 HA SER 27 23.231 14.090 8.642 205 1HB SER 24 1HB SER 27 24.343 15.244 10.479 206 2HB SER 24 2HB SER 27 24.486 16.272 9.056 207 HG SER 24 HG SER 27 22.868 17.596 9.869 208 H LYS 25 H LYS 28 23.036 13.481 11.085 209 HA LYS 25 HA LYS 28 20.443 12.689 11.711 210 1HB LYS 25 1HB LYS 28 22.847 13.118 13.540 211 2HB LYS 25 2HB LYS 28 21.393 12.213 13.982 212 1HG LYS 25 1HG LYS 28 21.833 10.767 11.885 213 2HG LYS 25 2HG LYS 28 23.440 11.505 11.833 214 1HD LYS 25 1HD LYS 28 22.246 9.898 14.138 215 2HD LYS 25 2HD LYS 28 23.467 9.352 12.981 216 1HE LYS 25 1HE LYS 28 25.029 11.125 13.805 217 2HE LYS 25 2HE LYS 28 23.825 11.586 15.028 218 1HZ LYS 25 1HZ LYS 28 23.961 9.378 15.910 219 2HZ LYS 25 2HZ LYS 28 25.089 8.951 14.788 220 3HZ LYS 25 3HZ LYS 28 25.442 10.101 15.913 221 H GLU 26 H GLU 29 22.132 15.682 12.714 222 HA GLU 26 HA GLU 29 20.242 16.458 14.719 223 1HB GLU 26 1HB GLU 29 22.146 18.132 13.012 224 2HB GLU 26 2HB GLU 29 21.240 18.720 14.414 225 1HG GLU 26 1HG GLU 29 22.365 17.043 15.857 226 2HG GLU 26 2HG GLU 29 23.292 16.452 14.467 227 H GLU 27 H GLU 30 20.656 17.694 11.373 228 HA GLU 27 HA GLU 30 18.240 19.174 11.299 229 1HB GLU 27 1HB GLU 30 20.101 18.035 9.238 230 2HB GLU 27 2HB GLU 30 18.516 18.637 8.730 231 1HG GLU 27 1HG GLU 30 20.340 20.370 8.603 232 2HG GLU 27 2HG GLU 30 18.915 20.830 9.538 233 H LEU 28 H LEU 31 18.826 15.689 10.476 234 HA LEU 28 HA LEU 31 16.149 15.306 9.657 235 1HB LEU 28 1HB LEU 31 18.447 13.579 10.304 236 2HB LEU 28 2HB LEU 31 16.923 12.856 10.805 237 HG LEU 28 HG LEU 31 17.249 14.112 8.107 238 1HD1 LEU 28 2HD1 LEU 31 17.661 11.217 8.957 239 2HD1 LEU 28 3HD1 LEU 31 17.544 11.789 7.276 240 3HD1 LEU 28 1HD1 LEU 31 18.890 12.334 8.309 241 1HD2 LEU 28 1HD2 LEU 31 15.279 12.060 9.228 242 2HD2 LEU 28 2HD2 LEU 31 14.876 13.741 8.851 243 3HD2 LEU 28 3HD2 LEU 31 15.313 12.636 7.546 244 H LYS 29 H LYS 32 17.619 14.774 12.918 245 HA LYS 29 HA LYS 32 15.357 13.904 14.283 246 1HB LYS 29 1HB LYS 32 17.519 14.065 15.447 247 2HB LYS 29 2HB LYS 32 17.646 15.768 15.079 248 1HG LYS 29 1HG LYS 32 17.233 15.650 17.340 249 2HG LYS 29 2HG LYS 32 15.733 16.255 16.637 250 1HD LYS 29 1HD LYS 32 14.736 13.983 16.848 251 2HD LYS 29 2HD LYS 32 16.288 13.325 17.390 252 1HE LYS 29 1HE LYS 32 16.278 14.695 19.400 253 2HE LYS 29 2HE LYS 32 14.811 15.542 18.893 254 1HZ LYS 29 2HZ LYS 32 14.980 12.667 19.464 255 2HZ LYS 29 3HZ LYS 32 14.415 13.813 20.502 256 3HZ LYS 29 1HZ LYS 32 13.605 13.513 19.108 257 H GLN 30 H GLN 33 16.416 17.258 13.694 258 HA GLN 30 HA GLN 33 14.234 18.555 14.861 259 1HB GLN 30 1HB GLN 33 15.962 19.330 12.470 260 2HB GLN 30 2HB GLN 33 14.836 20.452 13.238 261 1HG GLN 30 1HG GLN 33 16.129 20.691 15.145 262 2HG GLN 30 2HG GLN 33 16.792 19.061 15.053 263 1HE2 GLN 30 1HE2 GLN 33 18.648 21.608 12.416 264 2HE2 GLN 30 2HE2 GLN 33 16.881 21.557 12.428 265 H LEU 31 H LEU 34 14.657 17.725 11.327 266 HA LEU 31 HA LEU 34 12.158 18.350 10.410 267 1HB LEU 31 1HB LEU 34 14.187 17.429 9.099 268 2HB LEU 31 2HB LEU 34 13.640 15.839 9.599 269 HG LEU 31 HG LEU 34 11.370 16.456 8.515 270 1HD1 LEU 31 2HD1 LEU 34 13.164 18.503 7.142 271 2HD1 LEU 31 3HD1 LEU 34 11.511 18.069 6.662 272 3HD1 LEU 31 1HD1 LEU 34 11.790 18.882 8.206 273 1HD2 LEU 31 1HD2 LEU 34 13.889 16.063 6.846 274 2HD2 LEU 31 2HD2 LEU 34 12.898 14.785 7.583 275 3HD2 LEU 31 3HD2 LEU 34 12.231 15.783 6.279 276 H ILE 32 H ILE 35 12.984 15.257 11.589 277 HA ILE 32 HA ILE 35 10.445 14.034 11.362 278 HB ILE 32 HB ILE 35 12.516 13.325 13.469 279 1HG1 ILE 32 1HG1 ILE 35 13.716 12.968 11.513 280 2HG1 ILE 32 2HG1 ILE 35 13.038 11.407 11.879 281 1HG2 ILE 32 2HG2 ILE 35 10.165 11.741 12.352 282 2HG2 ILE 32 3HG2 ILE 35 11.421 11.086 13.421 283 3HG2 ILE 32 1HG2 ILE 35 10.347 12.347 14.009 284 1HD1 ILE 32 1HD1 ILE 35 11.181 11.868 10.204 285 2HD1 ILE 32 2HD1 ILE 35 12.068 13.347 9.750 286 3HD1 ILE 32 3HD1 ILE 35 12.807 11.764 9.512 287 H GLN 33 H GLN 36 11.838 15.220 14.240 288 HA GLN 33 HA GLN 36 9.550 14.909 15.900 289 1HB GLN 33 1HB GLN 36 11.848 16.870 16.204 290 2HB GLN 33 2HB GLN 36 10.700 16.450 17.483 291 1HG GLN 33 1HG GLN 36 12.512 14.395 16.114 292 2HG GLN 33 2HG GLN 36 12.912 15.295 17.575 293 1HE2 GLN 33 1HE2 GLN 36 10.106 12.284 17.798 294 2HE2 GLN 33 2HE2 GLN 36 10.419 13.035 16.243 295 H ALA 34 H ALA 37 10.628 17.826 14.089 296 HA ALA 34 HA ALA 37 8.467 19.425 15.152 297 1HB ALA 34 1HB ALA 37 10.616 20.391 14.514 298 2HB ALA 34 2HB ALA 37 10.339 19.936 12.821 299 3HB ALA 34 3HB ALA 37 9.281 21.127 13.606 300 H GLU 35 H GLU 38 9.011 17.928 11.882 301 HA GLU 35 HA GLU 38 6.370 18.954 11.047 302 1HB GLU 35 1HB GLU 38 8.626 17.596 9.553 303 2HB GLU 35 2HB GLU 38 7.035 17.910 8.861 304 1HG GLU 35 1HG GLU 38 8.565 19.674 8.227 305 2HG GLU 35 2HG GLU 38 7.221 20.294 9.189 306 H PHE 36 H PHE 39 7.735 15.698 11.866 307 HA PHE 36 HA PHE 39 5.001 14.659 11.819 308 1HB PHE 36 1HB PHE 39 5.814 12.878 10.002 309 2HB PHE 36 2HB PHE 39 4.915 14.334 9.667 310 HD1 PHE 36 HD1 PHE 39 8.566 13.418 10.073 311 HD2 PHE 36 HD2 PHE 39 5.583 15.604 7.855 312 HE1 PHE 36 HE1 PHE 39 10.314 14.250 8.525 313 HE2 PHE 36 HE2 PHE 39 7.340 16.479 6.357 314 HZ PHE 36 HZ PHE 39 9.706 15.783 6.662 315 HA PRO 37 HA PRO 40 7.979 12.548 14.615 316 1HB PRO 37 1HB PRO 40 6.384 12.481 16.887 317 2HB PRO 37 2HB PRO 40 7.446 13.833 16.413 318 1HG PRO 37 1HG PRO 40 4.489 13.534 15.845 319 2HG PRO 37 2HG PRO 40 5.340 14.949 16.540 320 1HD PRO 37 1HD PRO 40 4.739 14.879 13.936 321 2HD PRO 37 2HD PRO 40 6.349 15.470 14.438 322 H SER 38 H SER 41 5.423 11.546 12.912 323 HA SER 38 HA SER 41 4.202 9.656 12.615 324 1HB SER 38 1HB SER 41 7.075 8.691 12.901 325 2HB SER 38 2HB SER 41 5.799 7.813 12.058 326 HG SER 38 HG SER 41 6.775 10.440 11.457 327 H LEU 39 H LEU 42 3.856 10.235 15.297 328 HA LEU 39 HA LEU 42 3.439 9.383 17.378 329 1HB LEU 39 1HB LEU 42 2.454 7.021 15.735 330 2HB LEU 39 2HB LEU 42 1.919 7.475 17.358 331 HG LEU 39 HG LEU 42 1.471 9.091 14.804 332 1HD1 LEU 39 1HD1 LEU 42 0.116 7.034 14.971 333 2HD1 LEU 39 2HD1 LEU 42 -0.455 7.534 16.578 334 3HD1 LEU 39 3HD1 LEU 42 -0.886 8.487 15.143 335 1HD2 LEU 39 1HD2 LEU 42 0.592 9.632 17.680 336 2HD2 LEU 39 2HD2 LEU 42 1.673 10.646 16.694 337 3HD2 LEU 39 3HD2 LEU 42 -0.028 10.484 16.250 338 H LEU 40 H LEU 43 6.137 9.020 16.753 339 HA LEU 40 HA LEU 43 6.994 6.317 17.401 340 1HB LEU 40 1HB LEU 43 8.430 8.993 17.362 341 2HB LEU 40 2HB LEU 43 9.242 7.442 17.595 342 HG LEU 40 HG LEU 43 7.561 7.999 15.118 343 1HD1 LEU 40 2HD1 LEU 43 10.529 8.496 15.525 344 2HD1 LEU 40 3HD1 LEU 43 9.672 8.586 13.971 345 3HD1 LEU 40 1HD1 LEU 43 9.298 9.743 15.259 346 1HD2 LEU 40 1HD2 LEU 43 9.823 6.044 15.672 347 2HD2 LEU 40 2HD2 LEU 43 8.095 5.635 15.530 348 3HD2 LEU 40 3HD2 LEU 43 8.976 6.245 14.126 349 H LYS 41 H LYS 44 5.337 6.383 19.256 350 HA LYS 41 HA LYS 44 6.120 7.743 21.700 351 1HB LYS 41 1HB LYS 44 3.776 7.088 20.817 352 2HB LYS 41 2HB LYS 44 4.092 5.490 21.479 353 1HG LYS 41 1HG LYS 44 4.107 8.154 23.001 354 2HG LYS 41 2HG LYS 44 2.777 6.992 22.949 355 1HD LYS 41 1HD LYS 44 4.278 5.270 24.004 356 2HD LYS 41 2HD LYS 44 5.515 6.528 24.206 357 1HE LYS 41 1HE LYS 44 3.933 7.875 25.567 358 2HE LYS 41 2HE LYS 44 2.698 6.614 25.376 359 1HZ LYS 41 1HZ LYS 44 4.159 5.097 26.493 360 2HZ LYS 41 2HZ LYS 44 5.306 6.266 26.675 361 3HZ LYS 41 3HZ LYS 44 3.854 6.411 27.438 362 H GLY 42 H GLY 45 8.374 6.745 21.246 363 1HA GLY 42 1HA GLY 45 9.629 5.589 23.062 364 2HA GLY 42 2HA GLY 45 8.700 4.121 22.681 365 HA PRO 43 HA PRO 46 12.699 4.385 20.221 366 1HB PRO 43 1HB PRO 46 13.111 1.674 21.477 367 2HB PRO 43 2HB PRO 46 14.289 2.988 21.216 368 1HG PRO 43 1HG PRO 46 13.248 2.519 23.675 369 2HG PRO 43 2HG PRO 46 13.370 4.207 23.085 370 1HD PRO 43 1HD PRO 46 10.945 2.371 22.936 371 2HD PRO 43 2HD PRO 46 11.070 4.004 23.641 372 NH1 ARG 44 NH2 ARG 47 9.688 0.184 13.201 373 NH2 ARG 44 NH1 ARG 47 10.969 -1.253 14.486 374 H ARG 44 H ARG 47 10.347 3.852 18.838 375 HA ARG 44 HA ARG 47 10.224 1.236 17.662 376 1HB ARG 44 1HB ARG 47 8.362 2.815 17.574 377 2HB ARG 44 2HB ARG 47 9.357 3.995 16.729 378 1HG ARG 44 1HG ARG 47 7.814 3.020 15.198 379 2HG ARG 44 2HG ARG 47 9.436 2.526 14.723 380 1HD ARG 44 1HD ARG 47 7.608 0.784 16.445 381 2HD ARG 44 2HD ARG 47 7.510 0.756 14.693 382 HE ARG 44 HE ARG 47 9.550 -0.444 16.364 383 1HH1 ARG 44 1HH2 ARG 47 8.953 0.871 13.142 384 2HH1 ARG 44 2HH2 ARG 47 10.213 -0.060 12.376 385 1HH2 ARG 44 1HH1 ARG 47 11.233 -1.601 15.396 386 2HH2 ARG 44 2HH1 ARG 47 11.516 -1.515 13.681 387 H THR 45 H THR 48 11.813 4.325 16.708 388 HA THR 45 HA THR 48 14.069 2.955 15.605 389 HB THR 45 HB THR 48 11.953 4.153 13.826 No match found for entry HG1THR 45 390 1HG2 THR 45 2HG2 THR 48 14.946 4.590 13.403 391 2HG2 THR 45 3HG2 THR 48 13.744 4.578 12.076 392 3HG2 THR 45 1HG2 THR 48 13.661 5.773 13.346 393 H LEU 46 H LEU 49 12.329 5.823 15.328 394 HA LEU 46 HA LEU 49 12.733 7.991 15.296 395 1HB LEU 46 1HB LEU 49 12.523 7.696 17.718 396 2HB LEU 46 2HB LEU 49 14.264 7.409 17.858 397 HG LEU 46 HG LEU 49 14.732 9.715 17.086 398 1HD1 LEU 46 2HD1 LEU 49 11.700 10.067 17.025 399 2HD1 LEU 46 3HD1 LEU 49 12.896 11.373 16.924 400 3HD1 LEU 46 1HD1 LEU 49 12.799 10.186 15.628 401 1HD2 LEU 46 2HD2 LEU 49 14.439 9.239 19.485 402 2HD2 LEU 46 3HD2 LEU 49 13.870 10.868 19.087 403 3HD2 LEU 46 1HD2 LEU 49 12.697 9.565 19.349 404 H ASP 47 H ASP 50 15.872 6.639 16.333 405 HA ASP 47 HA ASP 50 17.155 8.151 14.161 406 1HB ASP 47 1HB ASP 50 17.752 8.944 16.465 407 2HB ASP 47 2HB ASP 50 18.155 7.269 16.907 408 H ASP 48 H ASP 51 16.580 4.910 15.213 409 HA ASP 48 HA ASP 51 19.023 3.705 14.544 410 1HB ASP 48 1HB ASP 51 17.273 2.504 15.691 411 2HB ASP 48 2HB ASP 51 16.195 2.603 14.294 412 H LEU 49 H LEU 52 16.271 3.382 12.331 413 HA LEU 49 HA LEU 52 17.813 2.591 10.063 414 1HB LEU 49 1HB LEU 52 15.274 4.214 9.688 415 2HB LEU 49 2HB LEU 52 15.914 2.908 8.693 416 HG LEU 49 HG LEU 52 14.769 2.712 11.475 417 1HD1 LEU 49 1HD1 LEU 52 13.062 3.252 9.818 418 2HD1 LEU 49 2HD1 LEU 52 13.573 1.884 8.803 419 3HD1 LEU 49 3HD1 LEU 52 12.837 1.593 10.395 420 1HD2 LEU 49 2HD2 LEU 52 16.434 0.885 11.036 421 2HD2 LEU 49 3HD2 LEU 52 14.793 0.230 11.115 422 3HD2 LEU 49 1HD2 LEU 52 15.576 0.474 9.539 423 H PHE 50 H PHE 53 16.464 5.578 10.983 424 HA PHE 50 HA PHE 53 17.238 7.531 9.183 425 1HB PHE 50 1HB PHE 53 15.877 7.779 11.213 426 2HB PHE 50 2HB PHE 53 17.273 7.456 12.185 427 HD1 PHE 50 HD1 PHE 53 19.321 9.225 11.888 428 HD2 PHE 50 HD2 PHE 53 15.069 9.867 11.524 429 HE1 PHE 50 HE1 PHE 53 19.486 11.194 13.296 430 HE2 PHE 50 HE2 PHE 53 15.251 11.777 13.042 431 HZ PHE 50 HZ PHE 53 17.475 12.445 13.942 432 H GLN 51 H GLN 54 19.326 6.295 11.903 433 HA GLN 51 HA GLN 54 21.625 7.802 11.108 434 1HB GLN 51 1HB GLN 54 21.291 7.115 13.387 435 2HB GLN 51 2HB GLN 54 21.348 5.397 12.970 436 1HG GLN 51 1HG GLN 54 23.701 7.192 12.278 437 2HG GLN 51 2HG GLN 54 23.434 6.705 13.953 438 1HE2 GLN 51 1HE2 GLN 54 24.856 3.940 11.298 439 2HE2 GLN 51 2HE2 GLN 54 24.245 5.474 10.691 440 H GLU 52 H GLU 55 20.596 4.378 10.592 441 HA GLU 52 HA GLU 55 22.965 3.523 9.285 442 1HB GLU 52 1HB GLU 55 20.083 2.672 8.774 443 2HB GLU 52 2HB GLU 55 21.514 1.841 8.160 444 1HG GLU 52 1HG GLU 55 22.294 1.349 10.414 445 2HG GLU 52 2HG GLU 55 20.988 2.289 11.137 446 H LEU 53 H LEU 56 20.180 5.329 8.057 447 HA LEU 53 HA LEU 56 21.075 5.379 5.299 448 1HB LEU 53 1HB LEU 56 19.008 6.979 6.838 449 2HB LEU 53 2HB LEU 56 19.222 7.086 5.096 450 HG LEU 53 HG LEU 56 18.571 4.460 6.508 451 1HD1 LEU 53 1HD1 LEU 56 16.790 6.109 6.927 452 2HD1 LEU 53 2HD1 LEU 56 16.683 6.441 5.181 453 3HD1 LEU 53 3HD1 LEU 56 16.244 4.841 5.819 454 1HD2 LEU 53 2HD2 LEU 56 19.531 4.200 4.225 455 2HD2 LEU 53 3HD2 LEU 56 17.832 3.730 4.295 456 3HD2 LEU 53 1HD2 LEU 56 18.280 5.291 3.591 457 H ASP 54 H ASP 57 22.053 7.223 8.070 458 HA ASP 54 HA ASP 57 22.906 9.745 6.755 459 1HB ASP 54 1HB ASP 57 22.163 9.304 9.162 460 2HB ASP 54 2HB ASP 57 23.758 8.581 9.415 461 H LYS 55 H LYS 58 23.772 7.785 5.144 462 HA LYS 55 HA LYS 58 25.381 6.149 4.707 463 1HB LYS 55 1HB LYS 58 26.482 8.822 3.848 464 2HB LYS 55 2HB LYS 58 26.919 7.249 3.172 465 1HG LYS 55 1HG LYS 58 24.524 6.864 2.560 466 2HG LYS 55 2HG LYS 58 24.126 8.476 3.145 467 1HD LYS 55 1HD LYS 58 25.913 7.763 0.786 468 2HD LYS 55 2HD LYS 58 24.335 8.564 0.762 469 1HE LYS 55 1HE LYS 58 25.437 10.450 2.151 470 2HE LYS 55 2HE LYS 58 26.988 9.678 1.745 471 1HZ LYS 55 1HZ LYS 58 26.348 9.930 -0.588 472 2HZ LYS 55 2HZ LYS 58 25.018 10.795 -0.107 473 3HZ LYS 55 3HZ LYS 58 26.525 11.364 0.211 474 H ASN 56 H ASN 59 27.552 8.786 5.896 475 HA ASN 56 HA ASN 59 28.693 6.874 7.807 476 1HB ASN 56 1HB ASN 59 29.802 6.362 5.557 477 2HB ASN 56 2HB ASN 59 30.510 7.976 5.618 478 1HD2 ASN 56 1HD2 ASN 59 31.708 5.150 8.426 479 2HD2 ASN 56 2HD2 ASN 59 30.040 5.157 7.869 480 H GLY 57 H GLY 60 27.388 9.576 7.764 481 1HA GLY 57 1HA GLY 60 27.533 11.314 9.305 482 2HA GLY 57 2HA GLY 60 29.201 10.860 9.710 483 H ASP 58 H ASP 61 30.498 10.820 7.474 484 HA ASP 58 HA ASP 61 30.517 13.606 6.389 485 1HB ASP 58 1HB ASP 61 32.683 13.111 5.511 486 2HB ASP 58 2HB ASP 61 32.658 12.599 7.202 487 H GLY 59 H GLY 62 28.330 12.541 5.806 488 1HA GLY 59 1HA GLY 62 27.569 12.458 3.255 489 2HA GLY 59 2HA GLY 62 28.161 10.781 3.500 490 H GLU 60 H GLU 63 25.615 12.904 4.080 491 HA GLU 60 HA GLU 63 24.548 11.648 6.571 492 1HB GLU 60 1HB GLU 63 23.405 14.003 5.220 493 2HB GLU 60 2HB GLU 63 23.302 13.218 6.816 494 1HG GLU 60 1HG GLU 63 24.665 15.250 7.045 495 2HG GLU 60 2HG GLU 63 25.743 13.854 7.207 496 H VAL 61 H VAL 64 21.817 12.326 6.001 497 HA VAL 61 HA VAL 64 21.075 10.072 4.306 498 HB VAL 61 HB VAL 64 19.327 12.075 5.787 499 1HG1 VAL 61 2HG1 VAL 64 18.805 9.322 4.556 500 2HG1 VAL 61 3HG1 VAL 64 17.660 10.175 5.607 501 3HG1 VAL 61 1HG1 VAL 64 18.110 10.869 4.047 502 1HG2 VAL 61 1HG2 VAL 64 20.465 9.375 6.557 503 2HG2 VAL 61 2HG2 VAL 64 20.726 10.902 7.421 504 3HG2 VAL 61 3HG2 VAL 64 19.148 10.092 7.433 505 H SER 62 H SER 65 22.112 10.868 2.455 506 HA SER 62 HA SER 65 21.305 13.148 0.964 507 1HB SER 62 1HB SER 65 22.262 10.401 0.102 508 2HB SER 62 2HB SER 65 22.077 11.764 -1.020 509 HG SER 62 HG SER 65 23.645 11.960 1.350 510 H PHE 63 H PHE 66 19.609 13.423 -0.582 511 HA PHE 63 HA PHE 66 17.128 12.575 0.040 512 1HB PHE 63 1HB PHE 66 17.677 14.329 -1.610 513 2HB PHE 63 2HB PHE 66 17.974 13.086 -2.822 514 HD1 PHE 63 HD1 PHE 66 15.402 14.554 -0.531 515 HD2 PHE 63 HD2 PHE 66 16.090 11.939 -3.896 516 HE1 PHE 63 HE1 PHE 66 12.955 14.298 -0.842 517 HE2 PHE 63 HE2 PHE 66 13.648 11.673 -4.186 518 HZ PHE 63 HZ PHE 66 12.074 12.853 -2.664 519 H GLU 64 H GLU 67 19.182 10.893 -2.306 520 HA GLU 64 HA GLU 67 17.555 8.873 -3.217 521 1HB GLU 64 1HB GLU 67 20.461 8.437 -2.390 522 2HB GLU 64 2HB GLU 67 19.517 7.535 -3.569 523 1HG GLU 64 1HG GLU 67 20.742 8.899 -4.957 524 2HG GLU 64 2HG GLU 67 19.280 9.876 -4.790 525 H GLU 65 H GLU 68 19.426 8.867 -0.171 526 HA GLU 65 HA GLU 68 18.401 6.294 0.742 527 1HB GLU 65 1HB GLU 68 20.208 8.442 1.962 528 2HB GLU 65 2HB GLU 68 19.622 7.077 2.890 529 1HG GLU 65 1HG GLU 68 21.824 6.593 2.014 530 2HG GLU 65 2HG GLU 68 20.623 5.473 1.361 531 H PHE 66 H PHE 69 17.836 9.739 1.460 532 HA PHE 66 HA PHE 69 16.155 9.619 3.643 533 1HB PHE 66 1HB PHE 69 16.868 11.732 2.439 534 2HB PHE 66 2HB PHE 69 15.703 11.335 1.187 535 HD1 PHE 66 HD1 PHE 69 15.338 11.329 4.956 536 HD2 PHE 66 HD2 PHE 69 14.042 12.918 1.155 537 HE1 PHE 66 HE1 PHE 69 13.463 12.505 6.069 538 HE2 PHE 66 HE2 PHE 69 12.251 14.181 2.298 539 HZ PHE 66 HZ PHE 69 11.923 13.934 4.749 540 H GLN 67 H GLN 70 15.210 9.088 0.254 541 HA GLN 67 HA GLN 70 12.476 8.823 0.399 542 1HB GLN 67 1HB GLN 70 14.466 7.035 -1.032 543 2HB GLN 67 2HB GLN 70 12.725 7.005 -1.345 544 1HG GLN 67 1HG GLN 70 12.696 9.302 -2.079 545 2HG GLN 67 2HG GLN 70 14.383 9.549 -1.649 546 1HE2 GLN 67 1HE2 GLN 70 15.505 7.330 -4.408 547 2HE2 GLN 67 2HE2 GLN 70 15.752 7.385 -2.667 548 H VAL 68 H VAL 71 14.846 6.317 1.471 549 HA VAL 68 HA VAL 71 12.894 4.306 2.051 550 HB VAL 68 HB VAL 71 15.643 4.758 3.306 551 1HG1 VAL 68 2HG1 VAL 71 13.909 2.258 3.115 552 2HG1 VAL 68 3HG1 VAL 71 15.582 2.306 3.706 553 3HG1 VAL 68 1HG1 VAL 71 14.312 3.144 4.602 554 1HG2 VAL 68 1HG2 VAL 71 14.830 3.137 0.851 555 2HG2 VAL 68 2HG2 VAL 71 15.845 4.594 0.849 556 3HG2 VAL 68 3HG2 VAL 71 16.434 3.116 1.611 557 H LEU 69 H LEU 72 14.268 6.965 4.030 558 HA LEU 69 HA LEU 72 12.868 6.145 6.403 559 1HB LEU 69 1HB LEU 72 14.924 7.622 6.337 560 2HB LEU 69 2HB LEU 72 13.904 8.919 5.713 561 HG LEU 69 HG LEU 72 12.527 8.804 7.808 562 1HD1 LEU 69 2HD1 LEU 72 14.647 6.778 8.675 563 2HD1 LEU 69 3HD1 LEU 72 13.534 7.608 9.782 564 3HD1 LEU 69 1HD1 LEU 72 12.892 6.501 8.571 565 1HD2 LEU 69 2HD2 LEU 72 14.390 10.386 7.557 566 2HD2 LEU 69 3HD2 LEU 72 14.240 9.843 9.238 567 3HD2 LEU 69 1HD2 LEU 72 15.528 9.185 8.207 568 H VAL 70 H VAL 73 12.207 8.414 3.717 569 HA VAL 70 HA VAL 73 9.848 9.575 4.670 570 HB VAL 70 HB VAL 73 10.573 8.907 1.805 571 1HG1 VAL 70 2HG1 VAL 73 8.358 10.688 2.896 572 2HG1 VAL 70 3HG1 VAL 73 8.903 10.648 1.207 573 3HG1 VAL 70 1HG1 VAL 73 8.143 9.221 1.918 574 1HG2 VAL 70 2HG2 VAL 73 12.093 10.517 3.024 575 2HG2 VAL 70 3HG2 VAL 73 11.193 11.276 1.705 576 3HG2 VAL 70 1HG2 VAL 73 10.677 11.513 3.387 577 H LYS 71 H LYS 74 10.271 6.425 2.963 578 HA LYS 71 HA LYS 74 7.527 5.708 2.835 579 1HB LYS 71 1HB LYS 74 9.919 3.880 3.289 580 2HB LYS 71 2HB LYS 74 8.299 3.375 2.807 581 1HG LYS 71 1HG LYS 74 10.344 4.885 1.167 582 2HG LYS 71 2HG LYS 74 9.678 3.296 0.929 583 1HD LYS 71 1HD LYS 74 8.524 4.405 -0.680 584 2HD LYS 71 2HD LYS 74 7.365 4.492 0.642 585 1HE LYS 71 1HE LYS 74 7.555 6.613 -0.611 586 2HE LYS 71 2HE LYS 74 8.056 6.870 1.056 587 1HZ LYS 71 2HZ LYS 74 9.885 6.428 -1.192 588 2HZ LYS 71 3HZ LYS 74 9.514 7.891 -0.531 589 3HZ LYS 71 1HZ LYS 74 10.318 6.769 0.365 590 H LYS 72 H LYS 75 9.530 5.912 5.725 591 HA LYS 72 HA LYS 75 7.653 4.234 7.269 592 1HB LYS 72 1HB LYS 75 10.050 5.759 8.298 593 2HB LYS 72 2HB LYS 75 9.219 4.384 9.031 594 1HG LYS 72 1HG LYS 75 10.956 4.377 6.530 595 2HG LYS 72 2HG LYS 75 11.340 3.674 8.097 596 1HD LYS 72 1HD LYS 75 9.491 2.031 7.829 597 2HD LYS 72 2HD LYS 75 9.094 2.737 6.247 598 1HE LYS 72 1HE LYS 75 11.368 2.210 5.417 599 2HE LYS 72 2HE LYS 75 11.758 1.449 6.971 600 1HZ LYS 72 1HZ LYS 75 9.986 -0.108 6.573 601 2HZ LYS 72 2HZ LYS 75 9.634 0.603 5.128 602 3HZ LYS 72 3HZ LYS 75 11.086 -0.147 5.346 603 H ILE 73 H ILE 76 7.690 7.505 6.295 604 HA ILE 73 HA ILE 76 7.035 8.887 8.645 605 HB ILE 73 HB ILE 76 6.176 9.302 5.769 606 1HG1 ILE 73 1HG1 ILE 76 8.655 9.453 6.505 607 2HG1 ILE 73 2HG1 ILE 76 7.967 10.792 5.572 608 1HG2 ILE 73 2HG2 ILE 76 5.718 11.121 8.160 609 2HG2 ILE 73 3HG2 ILE 76 5.650 11.663 6.467 610 3HG2 ILE 73 1HG2 ILE 76 4.508 10.453 7.050 611 1HD1 ILE 73 2HD1 ILE 76 8.302 10.797 8.604 612 2HD1 ILE 73 3HD1 ILE 76 9.429 11.515 7.438 613 3HD1 ILE 73 1HD1 ILE 76 7.780 12.142 7.557 614 H SER 74 H SER 77 5.592 8.290 10.033 615 HA SER 74 HA SER 77 3.728 7.328 11.017 616 1HB SER 74 1HB SER 77 2.286 8.642 8.674 617 2HB SER 74 2HB SER 77 1.583 8.193 10.237 618 HG SER 74 HG SER 77 3.776 9.979 9.933 619 H GLN 75 H GLN 78 5.207 5.625 9.358 620 HA GLN 75 HA GLN 78 5.154 3.450 8.797 621 1HB GLN 75 1HB GLN 78 2.135 3.399 8.814 622 2HB GLN 75 2HB GLN 78 3.229 2.048 8.961 623 1HG GLN 75 1HG GLN 78 3.654 2.364 11.189 624 2HG GLN 75 2HG GLN 78 3.477 4.114 11.152 625 1HE2 GLN 75 1HE2 GLN 78 -0.169 4.006 11.239 626 2HE2 GLN 75 2HE2 GLN 78 1.093 4.745 10.248 No H/Q in entry = 627 Start of MODEL 8 Raw file had 628 H/Q atoms Start of MODEL 8 1 1H SER -2 2H SER 1 0.608 6.211 3.491 2 2H SER -2 3H SER 1 -0.253 5.490 4.656 3 3H SER -2 1H SER 1 -1.014 5.980 3.246 4 HA SER -2 HA SER 1 -1.538 7.496 5.007 5 1HB SER -2 1HB SER 1 1.480 7.878 5.235 6 2HB SER -2 2HB SER 1 0.227 8.534 6.317 7 HG SER -2 HG SER 1 1.365 6.440 6.880 8 H ALA -1 H ALA 2 -1.530 9.903 4.676 9 HA ALA -1 HA ALA 2 -1.308 10.565 1.870 10 1HB ALA -1 1HB ALA 2 -3.128 11.408 3.279 11 2HB ALA -1 2HB ALA 2 -1.962 12.276 4.304 12 3HB ALA -1 3HB ALA 2 -2.177 12.743 2.602 13 H GLN 0 H GLN 3 1.072 9.975 1.850 14 HA GLN 0 HA GLN 3 3.004 11.621 3.119 15 1HB GLN 0 1HB GLN 3 3.351 9.368 1.837 16 2HB GLN 0 2HB GLN 3 3.411 10.371 0.376 17 1HG GLN 0 1HG GLN 3 5.154 11.773 1.928 18 2HG GLN 0 2HG GLN 3 5.284 10.210 2.721 19 1HE2 GLN 0 1HE2 GLN 3 6.958 10.904 -0.989 20 2HE2 GLN 0 2HE2 GLN 3 5.802 12.042 -0.306 21 H LYS 1 H LYS 4 3.818 13.658 2.603 22 HA LYS 1 HA LYS 4 2.464 15.307 0.672 23 1HB LYS 1 1HB LYS 4 4.964 15.594 2.375 24 2HB LYS 1 2HB LYS 4 4.593 16.773 1.118 25 1HG LYS 1 1HG LYS 4 3.765 17.528 3.279 26 2HG LYS 1 2HG LYS 4 2.460 17.325 2.104 27 1HD LYS 1 1HD LYS 4 1.792 15.195 3.158 28 2HD LYS 1 2HD LYS 4 3.166 15.301 4.286 29 1HE LYS 1 1HE LYS 4 2.200 17.370 5.249 30 2HE LYS 1 2HE LYS 4 0.874 17.309 4.070 31 1HZ LYS 1 1HZ LYS 4 0.218 15.213 5.011 32 2HZ LYS 1 2HZ LYS 4 1.428 15.291 6.127 33 3HZ LYS 1 3HZ LYS 4 0.212 16.403 6.151 34 H SER 2 H SER 5 3.334 16.141 -1.357 35 HA SER 2 HA SER 5 4.313 14.084 -2.957 36 1HB SER 2 1HB SER 5 4.467 17.050 -3.583 37 2HB SER 2 2HB SER 5 4.284 15.710 -4.730 38 HG SER 2 HG SER 5 2.259 15.263 -3.568 39 HA PRO 3 HA PRO 6 8.712 13.937 -2.425 40 1HB PRO 3 1HB PRO 6 8.773 14.209 -5.451 41 2HB PRO 3 2HB PRO 6 9.767 13.147 -4.410 42 1HG PRO 3 1HG PRO 6 7.579 12.131 -5.634 43 2HG PRO 3 2HG PRO 6 7.874 11.761 -3.911 44 1HD PRO 3 1HD PRO 6 5.949 13.771 -5.081 45 2HD PRO 3 2HD PRO 6 5.748 12.640 -3.705 46 H ALA 4 H ALA 7 7.670 16.352 -4.913 47 HA ALA 4 HA ALA 7 9.889 18.032 -4.692 48 1HB ALA 4 1HB ALA 7 8.229 18.181 -6.521 49 2HB ALA 4 2HB ALA 7 7.018 18.789 -5.367 50 3HB ALA 4 3HB ALA 7 8.460 19.757 -5.739 51 H GLU 5 H GLU 8 7.013 18.043 -2.867 52 HA GLU 5 HA GLU 8 7.460 20.487 -1.371 53 1HB GLU 5 1HB GLU 8 5.828 18.033 -0.555 54 2HB GLU 5 2HB GLU 8 5.793 19.609 0.235 55 1HG GLU 5 1HG GLU 8 4.926 20.662 -1.806 56 2HG GLU 5 2HG GLU 8 4.990 19.122 -2.671 57 H LEU 6 H LEU 9 7.917 17.030 -0.614 58 HA LEU 6 HA LEU 9 9.259 17.396 1.846 59 1HB LEU 6 1HB LEU 9 9.457 15.168 -0.219 60 2HB LEU 6 2HB LEU 9 10.194 15.066 1.374 61 HG LEU 6 HG LEU 9 7.205 15.366 0.851 62 1HD1 LEU 6 1HD1 LEU 9 8.110 13.166 0.205 63 2HD1 LEU 6 2HD1 LEU 9 8.882 13.002 1.798 64 3HD1 LEU 6 3HD1 LEU 9 7.115 13.043 1.670 65 1HD2 LEU 6 1HD2 LEU 9 8.795 15.028 3.439 66 2HD2 LEU 6 2HD2 LEU 9 7.704 16.370 3.022 67 3HD2 LEU 6 3HD2 LEU 9 7.048 14.761 3.307 68 H LYS 7 H LYS 10 10.487 17.207 -1.313 69 HA LYS 7 HA LYS 10 13.265 17.368 -0.749 70 1HB LYS 7 1HB LYS 10 12.215 16.700 -2.932 71 2HB LYS 7 2HB LYS 10 11.985 18.414 -3.300 72 1HG LYS 7 1HG LYS 10 14.367 18.795 -3.325 73 2HG LYS 7 2HG LYS 10 14.695 17.243 -2.528 74 1HD LYS 7 1HD LYS 10 13.791 16.018 -4.474 75 2HD LYS 7 2HD LYS 10 13.553 17.546 -5.339 76 1HE LYS 7 1HE LYS 10 16.247 16.530 -4.281 77 2HE LYS 7 2HE LYS 10 15.664 16.277 -5.933 78 1HZ LYS 7 1HZ LYS 10 15.592 18.633 -6.232 79 2HZ LYS 7 2HZ LYS 10 16.134 18.901 -4.699 80 3HZ LYS 7 3HZ LYS 10 17.105 18.148 -5.797 81 H SER 8 H SER 11 10.845 19.955 -1.376 82 HA SER 8 HA SER 11 12.680 22.131 -1.255 83 1HB SER 8 1HB SER 11 9.733 22.095 -0.464 84 2HB SER 8 2HB SER 11 10.718 23.522 -0.828 85 HG SER 8 HG SER 11 10.155 21.377 -2.622 86 H ILE 9 H ILE 12 10.602 20.717 1.341 87 HA ILE 9 HA ILE 12 11.565 22.394 3.440 88 HB ILE 9 HB ILE 12 10.500 19.541 3.567 89 1HG1 ILE 9 1HG1 ILE 12 9.017 22.165 4.065 90 2HG1 ILE 9 2HG1 ILE 12 8.982 21.329 2.515 91 1HG2 ILE 9 1HG2 ILE 12 11.721 20.214 5.653 92 2HG2 ILE 9 2HG2 ILE 12 10.700 21.654 5.768 93 3HG2 ILE 9 3HG2 ILE 12 9.998 20.033 5.939 94 1HD1 ILE 9 1HD1 ILE 12 8.061 19.296 3.618 95 2HD1 ILE 9 2HD1 ILE 12 7.926 20.217 5.136 96 3HD1 ILE 9 3HD1 ILE 12 7.010 20.722 3.710 97 H PHE 10 H PHE 13 12.579 19.162 2.381 98 HA PHE 10 HA PHE 13 14.714 18.634 4.100 99 1HB PHE 10 1HB PHE 13 13.826 16.984 2.651 100 2HB PHE 10 2HB PHE 13 14.068 17.980 1.230 101 HD1 PHE 10 HD1 PHE 13 15.689 15.657 3.529 102 HD2 PHE 10 HD2 PHE 13 16.090 18.111 0.016 103 HE1 PHE 10 HE1 PHE 13 17.685 14.344 2.816 104 HE2 PHE 10 HE2 PHE 13 18.082 16.814 -0.673 105 HZ PHE 10 HZ PHE 13 18.901 14.967 0.776 106 H GLU 11 H GLU 14 14.827 20.356 0.922 107 HA GLU 11 HA GLU 14 17.588 20.941 0.959 108 1HB GLU 11 1HB GLU 14 15.223 22.209 -0.439 109 2HB GLU 11 2HB GLU 14 16.856 22.885 -0.579 110 1HG GLU 11 1HG GLU 14 17.764 20.790 -1.376 111 2HG GLU 11 2HG GLU 14 16.216 19.970 -1.173 112 H LYS 12 H LYS 15 14.804 22.832 2.239 113 HA LYS 12 HA LYS 15 16.270 25.092 2.997 114 1HB LYS 12 1HB LYS 15 13.805 24.946 3.042 115 2HB LYS 12 2HB LYS 15 13.881 23.869 4.439 116 1HG LYS 12 1HG LYS 15 13.313 26.117 5.120 117 2HG LYS 12 2HG LYS 15 14.861 25.626 5.820 118 1HD LYS 12 1HD LYS 15 16.089 26.993 4.183 119 2HD LYS 12 2HD LYS 15 14.592 27.323 3.291 120 1HE LYS 12 1HE LYS 15 15.219 29.252 4.652 121 2HE LYS 12 2HE LYS 15 13.701 28.565 5.251 122 1HZ LYS 12 2HZ LYS 15 16.368 28.077 6.391 123 2HZ LYS 12 3HZ LYS 15 15.232 29.099 7.010 124 3HZ LYS 12 1HZ LYS 15 14.948 27.477 6.973 125 OH TYR 13 OH TYR 16 12.841 21.222 10.706 126 H TYR 13 H TYR 16 15.968 21.958 4.680 127 HA TYR 13 HA TYR 16 17.463 22.844 7.046 128 1HB TYR 13 1HB TYR 16 16.600 20.127 5.958 129 2HB TYR 13 2HB TYR 16 17.764 20.299 7.271 130 HD1 TYR 13 HD2 TYR 16 14.510 22.114 6.580 131 HD2 TYR 13 HD1 TYR 16 16.692 19.432 9.206 132 HE1 TYR 13 HE2 TYR 16 12.741 22.264 8.276 133 HE2 TYR 13 HE1 TYR 16 15.137 19.826 10.912 134 HH TYR 13 HH TYR 16 12.982 20.653 11.466 135 H ALA 14 H ALA 17 18.137 20.623 4.344 136 HA ALA 14 HA ALA 17 20.778 20.014 4.811 137 1HB ALA 14 2HB ALA 17 19.295 20.395 2.185 138 2HB ALA 14 3HB ALA 17 20.893 19.665 2.348 139 3HB ALA 14 1HB ALA 17 19.486 18.891 3.137 140 H ALA 15 H ALA 18 19.538 22.992 3.285 141 HA ALA 15 HA ALA 18 21.945 23.966 2.213 142 1HB ALA 15 1HB ALA 18 19.771 24.926 1.731 143 2HB ALA 15 2HB ALA 18 19.612 25.502 3.412 144 3HB ALA 15 3HB ALA 18 20.869 26.178 2.346 145 H LYS 16 H LYS 19 21.185 23.597 5.609 146 HA LYS 16 HA LYS 19 23.035 25.618 6.553 147 1HB LYS 16 1HB LYS 19 21.953 23.088 7.843 148 2HB LYS 16 2HB LYS 19 22.881 24.345 8.684 149 1HG LYS 16 1HG LYS 19 21.145 26.029 8.030 150 2HG LYS 16 2HG LYS 19 20.161 24.738 7.341 151 1HD LYS 16 1HD LYS 19 21.005 25.001 10.266 152 2HD LYS 16 2HD LYS 19 19.404 25.352 9.590 153 1HE LYS 16 1HE LYS 19 19.264 22.927 8.845 154 2HE LYS 16 2HE LYS 19 20.765 22.628 9.743 155 1HZ LYS 16 1HZ LYS 19 19.660 23.354 11.726 156 2HZ LYS 16 2HZ LYS 19 18.263 23.629 10.897 157 3HZ LYS 16 3HZ LYS 19 18.849 22.097 11.035 158 H GLU 17 H GLU 20 23.391 22.404 5.200 159 HA GLU 17 HA GLU 20 26.143 22.049 6.188 160 1HB GLU 17 1HB GLU 20 24.498 20.282 4.323 161 2HB GLU 17 2HB GLU 20 25.983 19.857 5.189 162 1HG GLU 17 1HG GLU 20 24.727 20.310 7.362 163 2HG GLU 17 2HG GLU 20 23.249 20.446 6.390 164 H GLY 18 H GLY 21 27.676 21.193 4.384 165 1HA GLY 18 1HA GLY 21 28.440 23.298 2.735 166 2HA GLY 18 2HA GLY 21 28.935 21.612 2.515 167 H ASP 19 H ASP 22 26.825 20.243 1.631 168 HA ASP 19 HA ASP 22 26.141 21.570 -0.919 169 1HB ASP 19 1HB ASP 22 25.777 19.378 -1.804 170 2HB ASP 19 2HB ASP 22 27.395 19.524 -1.110 171 HA PRO 20 HA PRO 23 22.043 21.872 0.989 172 1HB PRO 20 1HB PRO 23 20.721 23.265 -0.911 173 2HB PRO 20 2HB PRO 23 22.085 23.974 -0.019 174 1HG PRO 20 1HG PRO 23 22.229 22.649 -2.733 175 2HG PRO 20 2HG PRO 23 22.790 24.289 -2.284 176 1HD PRO 20 1HD PRO 23 24.480 22.170 -2.298 177 2HD PRO 20 2HD PRO 23 24.603 23.416 -1.015 178 H ASN 21 H ASN 24 22.444 19.252 0.348 179 HA ASN 21 HA ASN 24 19.821 18.566 -0.576 180 1HB ASN 21 1HB ASN 24 21.620 18.830 -2.708 181 2HB ASN 21 2HB ASN 24 21.602 17.097 -2.435 182 1HD2 ASN 21 1HD2 ASN 24 18.134 19.175 -3.507 183 2HD2 ASN 21 2HD2 ASN 24 19.472 19.937 -2.655 184 H GLN 22 H GLN 25 21.502 18.016 1.770 185 HA GLN 22 HA GLN 25 20.594 15.293 2.147 186 1HB GLN 22 1HB GLN 25 23.378 15.986 3.077 187 2HB GLN 22 2HB GLN 25 22.606 14.421 2.942 188 1HG GLN 22 1HG GLN 25 22.766 14.536 0.422 189 2HG GLN 22 2HG GLN 25 23.627 16.072 0.589 190 1HE2 GLN 22 1HE2 GLN 25 26.670 14.251 0.640 191 2HE2 GLN 22 2HE2 GLN 25 25.748 15.627 0.022 192 H LEU 23 H LEU 26 20.491 14.895 4.555 193 HA LEU 23 HA LEU 26 21.561 17.127 6.007 194 1HB LEU 23 1HB LEU 26 19.463 16.088 7.668 195 2HB LEU 23 2HB LEU 26 19.713 17.723 7.044 196 HG LEU 23 HG LEU 26 18.352 17.256 5.161 197 1HD1 LEU 23 2HD1 LEU 26 18.069 14.503 6.519 198 2HD1 LEU 23 3HD1 LEU 26 16.868 15.072 5.359 199 3HD1 LEU 23 1HD1 LEU 26 18.531 14.778 4.841 200 1HD2 LEU 23 2HD2 LEU 26 17.434 18.100 7.311 201 2HD2 LEU 23 3HD2 LEU 26 16.244 17.257 6.315 202 3HD2 LEU 23 1HD2 LEU 26 16.961 16.452 7.736 203 H SER 24 H SER 27 22.512 16.600 8.039 204 HA SER 24 HA SER 27 23.414 13.823 8.380 205 1HB SER 24 1HB SER 27 24.848 15.892 8.757 206 2HB SER 24 2HB SER 27 23.874 16.223 10.195 207 HG SER 24 HG SER 27 25.447 13.917 9.622 208 H LYS 25 H LYS 28 23.527 13.360 10.909 209 HA LYS 25 HA LYS 28 21.079 12.252 11.644 210 1HB LYS 25 1HB LYS 28 23.372 11.574 12.409 211 2HB LYS 25 2HB LYS 28 23.389 12.964 13.504 212 1HG LYS 25 1HG LYS 28 21.295 12.000 14.593 213 2HG LYS 25 2HG LYS 28 21.504 10.573 13.541 214 1HD LYS 25 1HD LYS 28 23.675 10.087 14.572 215 2HD LYS 25 2HD LYS 28 23.604 11.595 15.501 216 1HE LYS 25 1HE LYS 28 22.987 9.751 16.957 217 2HE LYS 25 2HE LYS 28 21.562 10.769 16.686 218 1HZ LYS 25 1HZ LYS 28 20.903 9.145 14.986 219 2HZ LYS 25 2HZ LYS 28 22.190 8.198 15.420 220 3HZ LYS 25 3HZ LYS 28 20.979 8.509 16.500 221 H GLU 26 H GLU 29 22.639 15.116 13.177 222 HA GLU 26 HA GLU 29 20.459 15.659 14.902 223 1HB GLU 26 1HB GLU 29 23.037 16.651 14.624 224 2HB GLU 26 2HB GLU 29 22.065 18.041 14.134 225 1HG GLU 26 1HG GLU 29 21.791 16.453 16.735 226 2HG GLU 26 2HG GLU 29 22.589 18.016 16.555 227 H GLU 27 H GLU 30 21.132 16.767 11.583 228 HA GLU 27 HA GLU 30 18.961 18.683 11.547 229 1HB GLU 27 1HB GLU 30 20.490 17.360 9.294 230 2HB GLU 27 2HB GLU 30 19.239 18.620 9.115 231 1HG GLU 27 1HG GLU 30 20.585 20.080 10.687 232 2HG GLU 27 2HG GLU 30 21.876 18.871 10.638 233 H LEU 28 H LEU 31 19.233 15.200 10.566 234 HA LEU 28 HA LEU 31 16.525 15.003 9.755 235 1HB LEU 28 1HB LEU 31 18.587 13.026 10.735 236 2HB LEU 28 2HB LEU 31 16.896 12.584 10.930 237 HG LEU 28 HG LEU 31 18.333 13.048 8.338 238 1HD1 LEU 28 1HD1 LEU 31 18.515 10.831 9.470 239 2HD1 LEU 28 2HD1 LEU 31 16.747 10.751 9.603 240 3HD1 LEU 28 3HD1 LEU 31 17.500 10.671 8.018 241 1HD2 LEU 28 1HD2 LEU 31 15.326 12.766 8.847 242 2HD2 LEU 28 2HD2 LEU 31 16.136 14.039 7.903 243 3HD2 LEU 28 3HD2 LEU 31 16.087 12.399 7.286 244 H LYS 29 H LYS 32 17.980 14.501 13.031 245 HA LYS 29 HA LYS 32 15.641 13.835 14.394 246 1HB LYS 29 1HB LYS 32 17.841 13.963 15.570 247 2HB LYS 29 2HB LYS 32 17.889 15.692 15.316 248 1HG LYS 29 1HG LYS 32 17.259 15.214 17.597 249 2HG LYS 29 2HG LYS 32 15.973 16.071 16.762 250 1HD LYS 29 1HD LYS 32 15.082 14.271 18.195 251 2HD LYS 29 2HD LYS 32 14.678 13.982 16.506 252 1HE LYS 29 1HE LYS 32 15.333 11.914 17.672 253 2HE LYS 29 2HE LYS 32 16.412 12.258 16.323 254 1HZ LYS 29 2HZ LYS 32 16.969 12.839 19.148 255 2HZ LYS 29 3HZ LYS 32 17.592 11.586 18.275 256 3HZ LYS 29 1HZ LYS 32 17.989 13.137 17.887 257 H GLN 30 H GLN 33 16.872 17.173 13.873 258 HA GLN 30 HA GLN 33 14.660 18.475 14.969 259 1HB GLN 30 1HB GLN 33 16.557 19.268 12.722 260 2HB GLN 30 2HB GLN 33 15.347 20.391 13.367 261 1HG GLN 30 1HG GLN 33 16.340 20.437 15.517 262 2HG GLN 30 2HG GLN 33 17.332 19.008 15.206 263 1HE2 GLN 30 1HE2 GLN 33 19.869 20.696 13.393 264 2HE2 GLN 30 2HE2 GLN 33 19.082 19.144 13.709 265 H LEU 31 H LEU 34 15.210 17.556 11.493 266 HA LEU 31 HA LEU 34 12.798 18.407 10.443 267 1HB LEU 31 1HB LEU 34 14.856 17.364 9.265 268 2HB LEU 31 2HB LEU 34 14.146 15.807 9.686 269 HG LEU 31 HG LEU 34 12.006 16.704 8.452 270 1HD1 LEU 31 1HD1 LEU 34 12.842 19.044 8.156 271 2HD1 LEU 31 2HD1 LEU 34 14.191 18.427 7.185 272 3HD1 LEU 31 3HD1 LEU 34 12.523 18.241 6.613 273 1HD2 LEU 31 1HD2 LEU 34 14.593 15.871 7.085 274 2HD2 LEU 31 2HD2 LEU 34 13.289 14.822 7.669 275 3HD2 LEU 31 3HD2 LEU 34 13.011 15.922 6.296 276 H ILE 32 H ILE 35 13.439 15.399 11.932 277 HA ILE 32 HA ILE 35 10.812 14.291 11.601 278 HB ILE 32 HB ILE 35 12.848 13.481 13.708 279 1HG1 ILE 32 1HG1 ILE 35 13.927 12.954 11.679 280 2HG1 ILE 32 2HG1 ILE 35 13.165 11.468 12.175 281 1HG2 ILE 32 2HG2 ILE 35 10.300 12.149 12.724 282 2HG2 ILE 32 3HG2 ILE 35 11.526 11.340 13.714 283 3HG2 ILE 32 1HG2 ILE 35 10.644 12.717 14.366 284 1HD1 ILE 32 1HD1 ILE 35 11.311 11.878 10.551 285 2HD1 ILE 32 2HD1 ILE 35 12.148 13.358 10.008 286 3HD1 ILE 32 3HD1 ILE 35 12.914 11.786 9.793 287 H GLN 33 H GLN 36 12.238 15.797 14.331 288 HA GLN 33 HA GLN 36 9.874 15.722 15.979 289 1HB GLN 33 1HB GLN 36 12.098 17.806 16.037 290 2HB GLN 33 2HB GLN 36 10.854 17.597 17.279 291 1HG GLN 33 1HG GLN 36 12.993 15.563 16.547 292 2HG GLN 33 2HG GLN 36 12.950 16.579 17.982 293 1HE2 GLN 33 1HE2 GLN 36 10.667 13.161 17.755 294 2HE2 GLN 33 2HE2 GLN 36 11.437 13.816 16.322 295 H ALA 34 H ALA 37 10.941 18.122 13.565 296 HA ALA 34 HA ALA 37 8.774 19.945 14.093 297 1HB ALA 34 1HB ALA 37 10.881 20.661 13.101 298 2HB ALA 34 2HB ALA 37 10.589 19.651 11.671 299 3HB ALA 34 3HB ALA 37 9.525 21.033 12.019 300 H GLU 35 H GLU 38 9.304 17.694 11.311 301 HA GLU 35 HA GLU 38 6.566 18.192 10.369 302 1HB GLU 35 1HB GLU 38 8.925 16.632 9.271 303 2HB GLU 35 2HB GLU 38 7.313 16.550 8.562 304 1HG GLU 35 1HG GLU 38 8.605 18.182 7.351 305 2HG GLU 35 2HG GLU 38 7.274 18.979 8.194 306 H PHE 36 H PHE 39 8.279 15.405 11.876 307 HA PHE 36 HA PHE 39 5.662 13.956 11.897 308 1HB PHE 36 1HB PHE 39 8.354 12.683 11.344 309 2HB PHE 36 2HB PHE 39 6.776 11.946 11.166 310 HD1 PHE 36 HD1 PHE 39 5.183 13.464 9.428 311 HD2 PHE 36 HD2 PHE 39 9.492 13.272 9.404 312 HE1 PHE 36 HE1 PHE 39 5.202 14.070 7.028 313 HE2 PHE 36 HE2 PHE 39 9.505 13.897 7.016 314 HZ PHE 36 HZ PHE 39 7.363 14.283 5.811 315 HA PRO 37 HA PRO 40 7.862 13.933 16.029 316 1HB PRO 37 1HB PRO 40 5.906 15.099 17.588 317 2HB PRO 37 2HB PRO 40 7.241 15.942 16.789 318 1HG PRO 37 1HG PRO 40 4.395 15.697 15.807 319 2HG PRO 37 2HG PRO 40 5.473 17.116 15.783 320 1HD PRO 37 1HD PRO 40 5.079 15.540 13.579 321 2HD PRO 37 2HD PRO 40 6.656 16.307 13.920 322 H SER 38 H SER 41 4.494 13.856 16.489 323 HA SER 38 HA SER 41 4.066 11.750 18.110 324 1HB SER 38 1HB SER 41 2.165 12.341 15.825 325 2HB SER 38 2HB SER 41 1.797 11.936 17.515 326 HG SER 38 HG SER 41 1.601 14.196 17.140 327 H LEU 39 H LEU 42 4.389 11.533 14.573 328 HA LEU 39 HA LEU 42 3.566 8.832 14.284 329 1HB LEU 39 1HB LEU 42 5.554 10.355 12.564 330 2HB LEU 39 2HB LEU 42 4.642 8.909 12.113 331 HG LEU 39 HG LEU 42 3.513 11.697 12.630 332 1HD1 LEU 39 1HD1 LEU 42 4.628 11.305 10.438 333 2HD1 LEU 39 2HD1 LEU 42 3.530 9.945 10.138 334 3HD1 LEU 39 3HD1 LEU 42 2.888 11.595 10.273 335 1HD2 LEU 39 1HD2 LEU 42 2.041 9.085 12.046 336 2HD2 LEU 39 2HD2 LEU 42 1.860 10.108 13.492 337 3HD2 LEU 39 3HD2 LEU 42 1.319 10.703 11.920 338 H LEU 40 H LEU 43 6.673 10.132 15.387 339 HA LEU 40 HA LEU 43 7.619 7.313 15.642 340 1HB LEU 40 1HB LEU 43 9.189 9.782 14.835 341 2HB LEU 40 2HB LEU 43 9.943 8.256 15.322 342 HG LEU 40 HG LEU 43 7.989 8.434 12.996 343 1HD1 LEU 40 2HD1 LEU 43 11.033 8.594 12.966 344 2HD1 LEU 40 3HD1 LEU 43 10.001 8.378 11.537 345 3HD1 LEU 40 1HD1 LEU 43 9.886 9.866 12.483 346 1HD2 LEU 40 1HD2 LEU 43 10.086 6.347 13.781 347 2HD2 LEU 40 2HD2 LEU 43 8.331 6.141 13.931 348 3HD2 LEU 40 3HD2 LEU 43 9.062 6.293 12.333 349 H LYS 41 H LYS 44 6.824 10.049 17.328 350 HA LYS 41 HA LYS 44 8.607 9.602 19.605 351 1HB LYS 41 1HB LYS 44 6.130 11.275 19.136 352 2HB LYS 41 2HB LYS 44 6.823 11.140 20.738 353 1HG LYS 41 1HG LYS 44 8.365 12.096 18.290 354 2HG LYS 41 2HG LYS 44 7.557 13.158 19.446 355 1HD LYS 41 1HD LYS 44 9.942 11.336 20.020 356 2HD LYS 41 2HD LYS 44 9.908 13.095 19.939 357 1HE LYS 41 1HE LYS 44 8.316 13.119 21.896 358 2HE LYS 41 2HE LYS 44 8.577 11.369 22.065 359 1HZ LYS 41 2HZ LYS 44 10.664 13.419 22.204 360 2HZ LYS 41 3HZ LYS 44 10.003 12.611 23.480 361 3HZ LYS 41 1HZ LYS 44 10.892 11.793 22.359 362 H GLY 42 H GLY 45 8.205 7.233 19.495 363 1HA GLY 42 1HA GLY 45 6.577 6.404 21.717 364 2HA GLY 42 2HA GLY 45 5.881 5.898 20.153 365 HA PRO 43 HA PRO 46 9.384 2.954 21.303 366 1HB PRO 43 1HB PRO 46 8.026 0.613 21.526 367 2HB PRO 43 2HB PRO 46 8.022 1.828 22.831 368 1HG PRO 43 1HG PRO 46 5.917 1.448 20.680 369 2HG PRO 43 2HG PRO 46 5.663 1.539 22.448 370 1HD PRO 43 1HD PRO 46 5.379 3.714 20.814 371 2HD PRO 43 2HD PRO 46 6.050 3.880 22.463 372 NH1 ARG 44 NH1 ARG 47 5.997 3.005 13.119 373 NH2 ARG 44 NH2 ARG 47 5.939 5.276 12.657 374 H ARG 44 H ARG 47 9.495 3.985 19.008 375 HA ARG 44 HA ARG 47 9.394 1.861 16.939 376 1HB ARG 44 1HB ARG 47 8.116 4.623 16.888 377 2HB ARG 44 2HB ARG 47 8.681 3.879 15.387 378 1HG ARG 44 1HG ARG 47 7.208 2.055 15.537 379 2HG ARG 44 2HG ARG 47 6.855 2.329 17.240 380 1HD ARG 44 1HD ARG 47 4.963 2.994 15.759 381 2HD ARG 44 2HD ARG 47 5.554 4.256 16.838 382 HE ARG 44 HE ARG 47 5.969 5.576 15.058 383 1HH1 ARG 44 1HH1 ARG 47 6.015 2.260 13.800 384 2HH1 ARG 44 2HH1 ARG 47 5.998 2.790 12.133 385 1HH2 ARG 44 1HH2 ARG 47 5.870 6.218 13.036 386 2HH2 ARG 44 2HH2 ARG 47 5.881 5.122 11.652 387 H THR 45 H THR 48 10.778 2.606 15.043 388 HA THR 45 HA THR 48 13.400 3.224 15.932 389 HB THR 45 HB THR 48 12.400 3.301 13.063 No match found for entry HG1THR 45 390 1HG2 THR 45 1HG2 THR 48 14.840 3.692 13.735 391 2HG2 THR 45 2HG2 THR 48 14.792 2.029 14.421 392 3HG2 THR 45 3HG2 THR 48 14.585 2.259 12.691 393 H LEU 46 H LEU 49 12.498 5.428 16.988 394 HA LEU 46 HA LEU 49 12.096 7.613 15.261 395 1HB LEU 46 1HB LEU 49 11.638 7.751 17.709 396 2HB LEU 46 2HB LEU 49 13.361 7.546 18.046 397 HG LEU 46 HG LEU 49 13.834 9.739 16.929 398 1HD1 LEU 46 1HD1 LEU 49 11.852 9.854 15.434 399 2HD1 LEU 46 2HD1 LEU 49 10.796 10.022 16.858 400 3HD1 LEU 46 3HD1 LEU 49 11.982 11.284 16.463 401 1HD2 LEU 46 1HD2 LEU 49 11.792 9.807 19.185 402 2HD2 LEU 46 2HD2 LEU 49 13.548 9.600 19.360 403 3HD2 LEU 46 3HD2 LEU 49 12.895 11.130 18.744 404 H ASP 47 H ASP 50 15.191 6.282 16.506 405 HA ASP 47 HA ASP 50 16.324 7.160 14.161 406 1HB ASP 47 1HB ASP 50 18.040 8.534 14.864 407 2HB ASP 47 2HB ASP 50 16.479 9.264 15.314 408 H ASP 48 H ASP 51 16.864 5.458 13.730 409 HA ASP 48 HA ASP 51 19.278 4.097 14.651 410 1HB ASP 48 1HB ASP 51 18.034 2.823 16.093 411 2HB ASP 48 2HB ASP 51 16.572 2.884 15.137 412 H LEU 49 H LEU 52 16.380 3.364 12.545 413 HA LEU 49 HA LEU 52 18.089 2.523 10.380 414 1HB LEU 49 1HB LEU 52 16.185 2.482 8.964 415 2HB LEU 49 2HB LEU 52 15.779 1.827 10.540 416 HG LEU 49 HG LEU 52 14.749 4.224 11.000 417 1HD1 LEU 49 2HD1 LEU 52 14.716 4.088 7.937 418 2HD1 LEU 49 3HD1 LEU 52 13.763 5.206 8.925 419 3HD1 LEU 49 1HD1 LEU 52 15.514 5.349 8.876 420 1HD2 LEU 49 1HD2 LEU 52 13.490 2.223 9.073 421 2HD2 LEU 49 2HD2 LEU 52 13.444 2.109 10.831 422 3HD2 LEU 49 3HD2 LEU 52 12.611 3.438 10.022 423 H PHE 50 H PHE 53 16.580 5.471 11.310 424 HA PHE 50 HA PHE 53 17.137 7.452 9.511 425 1HB PHE 50 1HB PHE 53 15.990 7.476 11.749 426 2HB PHE 50 2HB PHE 53 17.585 7.342 12.504 427 HD1 PHE 50 HD1 PHE 53 19.315 9.374 11.778 428 HD2 PHE 50 HD2 PHE 53 14.998 9.484 12.131 429 HE1 PHE 50 HE1 PHE 53 19.446 11.404 13.144 430 HE2 PHE 50 HE2 PHE 53 15.182 11.460 13.567 431 HZ PHE 50 HZ PHE 53 17.439 12.334 14.179 432 H GLN 51 H GLN 54 19.366 6.096 12.006 433 HA GLN 51 HA GLN 54 21.542 7.805 11.335 434 1HB GLN 51 1HB GLN 54 21.165 6.676 13.536 435 2HB GLN 51 2HB GLN 54 21.636 5.134 12.800 436 1HG GLN 51 1HG GLN 54 23.875 6.037 12.288 437 2HG GLN 51 2HG GLN 54 23.375 7.642 12.844 438 1HE2 GLN 51 1HE2 GLN 54 24.117 4.705 15.648 439 2HE2 GLN 51 2HE2 GLN 54 23.737 4.238 14.000 440 H GLU 52 H GLU 55 20.755 4.390 10.534 441 HA GLU 52 HA GLU 55 23.052 3.837 9.005 442 1HB GLU 52 1HB GLU 55 21.293 2.182 9.726 443 2HB GLU 52 2HB GLU 55 20.221 2.823 8.472 444 1HG GLU 52 1HG GLU 55 21.297 0.778 7.704 445 2HG GLU 52 2HG GLU 55 21.831 2.143 6.719 446 H LEU 53 H LEU 56 20.060 5.527 8.105 447 HA LEU 53 HA LEU 56 20.623 5.758 5.312 448 1HB LEU 53 1HB LEU 56 18.868 7.401 7.146 449 2HB LEU 53 2HB LEU 56 18.923 7.608 5.408 450 HG LEU 53 HG LEU 56 18.158 4.992 6.776 451 1HD1 LEU 53 1HD1 LEU 56 16.538 6.814 7.197 452 2HD1 LEU 53 2HD1 LEU 56 16.460 7.109 5.444 453 3HD1 LEU 53 3HD1 LEU 56 15.858 5.579 6.118 454 1HD2 LEU 53 1HD2 LEU 56 17.944 5.846 3.863 455 2HD2 LEU 53 2HD2 LEU 56 18.991 4.556 4.508 456 3HD2 LEU 53 3HD2 LEU 56 17.241 4.379 4.562 457 H ASP 54 H ASP 57 22.213 7.452 7.936 458 HA ASP 54 HA ASP 57 23.065 9.836 6.394 459 1HB ASP 54 1HB ASP 57 24.152 8.502 8.901 460 2HB ASP 54 2HB ASP 57 24.795 9.954 8.152 461 H LYS 55 H LYS 58 23.438 8.164 4.434 462 HA LYS 55 HA LYS 58 25.567 6.287 4.595 463 1HB LYS 55 1HB LYS 58 24.632 7.780 2.122 464 2HB LYS 55 2HB LYS 58 25.657 6.329 2.182 465 1HG LYS 55 1HG LYS 58 23.738 5.186 3.463 466 2HG LYS 55 2HG LYS 58 22.736 6.567 3.017 467 1HD LYS 55 1HD LYS 58 24.112 4.590 1.136 468 2HD LYS 55 2HD LYS 58 22.383 4.758 1.439 469 1HE LYS 55 1HE LYS 58 22.699 7.220 0.548 470 2HE LYS 55 2HE LYS 58 24.244 6.624 -0.071 471 1HZ LYS 55 1HZ LYS 58 23.031 4.960 -1.293 472 2HZ LYS 55 2HZ LYS 58 21.597 5.530 -0.702 473 3HZ LYS 55 3HZ LYS 58 22.507 6.473 -1.694 474 H ASN 56 H ASN 59 27.688 6.550 4.788 475 HA ASN 56 HA ASN 59 28.886 9.151 4.978 476 1HB ASN 56 1HB ASN 59 29.683 7.247 6.272 477 2HB ASN 56 2HB ASN 59 30.145 6.381 4.798 478 1HD2 ASN 56 1HD2 ASN 59 33.206 8.155 4.405 479 2HD2 ASN 56 2HD2 ASN 59 32.096 7.011 3.675 480 H GLY 57 H GLY 60 28.694 6.778 2.338 481 1HA GLY 57 1HA GLY 60 30.713 7.732 0.626 482 2HA GLY 57 2HA GLY 60 29.195 6.982 0.097 483 H ASP 58 H ASP 61 27.327 8.815 1.019 484 HA ASP 58 HA ASP 61 27.587 11.013 -0.919 485 1HB ASP 58 1HB ASP 61 25.372 10.232 1.044 486 2HB ASP 58 2HB ASP 61 25.308 11.570 -0.104 487 H GLY 59 H GLY 62 27.416 10.479 2.567 488 1HA GLY 59 1HA GLY 62 29.015 11.978 3.850 489 2HA GLY 59 2HA GLY 62 28.009 13.313 3.243 490 H GLU 60 H GLU 63 25.539 12.596 3.337 491 HA GLU 60 HA GLU 63 24.788 11.626 6.097 492 1HB GLU 60 1HB GLU 63 23.600 14.053 4.926 493 2HB GLU 60 2HB GLU 63 23.593 13.235 6.505 494 1HG GLU 60 1HG GLU 63 25.937 14.727 5.187 495 2HG GLU 60 2HG GLU 63 24.918 15.387 6.454 496 H VAL 61 H VAL 64 22.059 12.630 5.508 497 HA VAL 61 HA VAL 64 21.017 10.359 3.976 498 HB VAL 61 HB VAL 64 19.646 12.587 5.555 499 1HG1 VAL 61 1HG1 VAL 64 18.143 11.360 3.999 500 2HG1 VAL 61 2HG1 VAL 64 18.602 9.840 4.799 501 3HG1 VAL 61 3HG1 VAL 64 17.742 11.096 5.699 502 1HG2 VAL 61 2HG2 VAL 64 21.239 11.251 6.986 503 2HG2 VAL 61 3HG2 VAL 64 19.569 11.148 7.448 504 3HG2 VAL 61 1HG2 VAL 64 20.298 9.803 6.571 505 H SER 62 H SER 65 21.508 10.866 1.855 506 HA SER 62 HA SER 65 20.876 13.311 0.537 507 1HB SER 62 1HB SER 65 21.061 10.435 -0.436 508 2HB SER 62 2HB SER 65 21.064 11.866 -1.508 509 HG SER 62 HG SER 65 23.192 11.163 -0.975 510 H PHE 63 H PHE 66 19.142 13.470 -1.236 511 HA PHE 63 HA PHE 66 16.645 13.423 -0.031 512 1HB PHE 63 1HB PHE 66 17.172 14.803 -2.000 513 2HB PHE 63 2HB PHE 66 17.175 13.365 -3.019 514 HD1 PHE 63 HD2 PHE 66 14.984 15.085 -0.463 515 HD2 PHE 63 HD1 PHE 66 15.137 12.787 -4.115 516 HE1 PHE 63 HE2 PHE 66 12.507 14.985 -0.517 517 HE2 PHE 63 HE1 PHE 66 12.665 12.770 -4.201 518 HZ PHE 63 HZ PHE 66 11.345 13.867 -2.396 519 H GLU 64 H GLU 67 17.931 10.925 -2.261 520 HA GLU 64 HA GLU 67 15.622 9.311 -2.329 521 1HB GLU 64 1HB GLU 67 17.125 7.469 -2.937 522 2HB GLU 64 2HB GLU 67 17.468 8.952 -3.832 523 1HG GLU 64 1HG GLU 67 19.418 9.388 -2.274 524 2HG GLU 64 2HG GLU 67 19.070 7.833 -1.490 525 H GLU 65 H GLU 68 18.330 9.285 -0.002 526 HA GLU 65 HA GLU 68 17.412 7.139 1.611 527 1HB GLU 65 1HB GLU 68 19.102 9.552 2.433 528 2HB GLU 65 2HB GLU 68 18.977 8.019 3.285 529 1HG GLU 65 1HG GLU 68 20.193 8.395 0.526 530 2HG GLU 65 2HG GLU 68 21.040 8.135 2.050 531 H PHE 66 H PHE 69 16.863 10.674 1.774 532 HA PHE 66 HA PHE 69 15.311 10.588 4.145 533 1HB PHE 66 1HB PHE 69 16.185 12.683 3.337 534 2HB PHE 66 2HB PHE 69 15.264 12.555 1.834 535 HD1 PHE 66 HD2 PHE 69 14.254 12.047 5.453 536 HD2 PHE 66 HD1 PHE 69 13.715 14.342 1.831 537 HE1 PHE 66 HE2 PHE 69 12.192 12.995 6.367 538 HE2 PHE 66 HE1 PHE 69 11.786 15.495 2.883 539 HZ PHE 66 HZ PHE 69 10.932 14.736 5.082 540 H GLN 67 H GLN 70 14.241 10.447 0.667 541 HA GLN 67 HA GLN 70 11.520 10.167 1.339 542 1HB GLN 67 1HB GLN 70 13.117 9.806 -1.091 543 2HB GLN 67 2HB GLN 70 11.813 8.622 -1.012 544 1HG GLN 67 1HG GLN 70 11.380 11.596 -0.545 545 2HG GLN 67 2HG GLN 70 11.272 10.835 -2.131 546 1HE2 GLN 67 1HE2 GLN 70 8.340 9.201 0.216 547 2HE2 GLN 67 2HE2 GLN 70 10.005 8.899 0.643 548 H VAL 68 H VAL 71 14.091 7.682 1.095 549 HA VAL 68 HA VAL 71 12.409 5.425 1.529 550 HB VAL 68 HB VAL 71 15.343 5.970 2.100 551 1HG1 VAL 68 2HG1 VAL 71 13.814 3.396 2.582 552 2HG1 VAL 68 3HG1 VAL 71 15.584 3.519 2.474 553 3HG1 VAL 68 1HG1 VAL 71 14.730 4.348 3.781 554 1HG2 VAL 68 2HG2 VAL 71 14.521 5.708 -0.282 555 2HG2 VAL 68 3HG2 VAL 71 15.680 4.468 0.222 556 3HG2 VAL 68 1HG2 VAL 71 13.947 4.091 0.150 557 H LEU 69 H LEU 72 14.063 7.596 3.894 558 HA LEU 69 HA LEU 72 13.156 6.351 6.254 559 1HB LEU 69 1HB LEU 72 14.757 8.258 6.167 560 2HB LEU 69 2HB LEU 72 13.462 9.375 5.802 561 HG LEU 69 HG LEU 72 13.255 7.637 8.247 562 1HD1 LEU 69 1HD1 LEU 72 15.515 8.669 8.319 563 2HD1 LEU 69 2HD1 LEU 72 14.789 10.263 8.043 564 3HD1 LEU 69 3HD1 LEU 72 14.453 9.376 9.545 565 1HD2 LEU 69 1HD2 LEU 72 12.302 10.475 7.630 566 2HD2 LEU 69 2HD2 LEU 72 11.266 9.044 7.774 567 3HD2 LEU 69 3HD2 LEU 72 12.110 9.639 9.185 568 H VAL 70 H VAL 73 11.680 9.028 4.437 569 HA VAL 70 HA VAL 73 9.357 9.331 5.908 570 HB VAL 70 HB VAL 73 9.814 9.776 2.944 571 1HG1 VAL 70 2HG1 VAL 73 7.450 10.660 4.653 572 2HG1 VAL 70 3HG1 VAL 73 7.809 11.218 3.010 573 3HG1 VAL 70 1HG1 VAL 73 7.400 9.524 3.287 574 1HG2 VAL 70 2HG2 VAL 73 11.147 11.139 4.588 575 2HG2 VAL 70 3HG2 VAL 73 10.035 12.117 3.627 576 3HG2 VAL 70 1HG2 VAL 73 9.632 11.704 5.305 577 H LYS 71 H LYS 74 9.801 7.120 3.072 578 HA LYS 71 HA LYS 74 7.177 6.027 3.155 579 1HB LYS 71 1HB LYS 74 9.832 4.758 2.373 580 2HB LYS 71 2HB LYS 74 8.284 3.960 2.149 581 1HG LYS 71 1HG LYS 74 9.097 6.626 0.904 582 2HG LYS 71 2HG LYS 74 9.145 5.074 0.091 583 1HD LYS 71 1HD LYS 74 6.676 6.592 1.055 584 2HD LYS 71 2HD LYS 74 7.190 6.335 -0.601 585 1HE LYS 71 1HE LYS 74 6.171 4.196 1.326 586 2HE LYS 71 2HE LYS 74 5.346 4.848 -0.096 587 1HZ LYS 71 1HZ LYS 74 7.082 3.934 -1.458 588 2HZ LYS 71 2HZ LYS 74 7.839 3.305 -0.135 589 3HZ LYS 71 3HZ LYS 74 6.348 2.756 -0.569 590 H LYS 72 H LYS 75 10.178 4.895 4.850 591 HA LYS 72 HA LYS 75 8.888 2.816 6.266 592 1HB LYS 72 1HB LYS 75 11.400 4.415 6.794 593 2HB LYS 72 2HB LYS 75 10.916 3.028 7.779 594 1HG LYS 72 1HG LYS 75 11.092 1.494 6.002 595 2HG LYS 72 2HG LYS 75 11.077 2.755 4.751 596 1HD LYS 72 1HD LYS 75 13.193 3.594 5.386 597 2HD LYS 72 2HD LYS 75 13.283 2.541 6.816 598 1HE LYS 72 1HE LYS 75 13.284 0.523 5.369 599 2HE LYS 72 2HE LYS 75 13.247 1.550 3.928 600 1HZ LYS 72 1HZ LYS 75 15.357 2.464 4.632 601 2HZ LYS 72 2HZ LYS 75 15.374 1.487 5.957 602 3HZ LYS 72 3HZ LYS 75 15.453 0.831 4.449 603 H ILE 73 H ILE 76 8.423 6.242 6.825 604 HA ILE 73 HA ILE 76 7.985 6.112 9.652 605 HB ILE 73 HB ILE 76 6.389 7.768 7.653 606 1HG1 ILE 73 1HG1 ILE 76 8.896 8.689 9.152 607 2HG1 ILE 73 2HG1 ILE 76 8.873 8.140 7.527 608 1HG2 ILE 73 1HG2 ILE 76 5.347 7.635 9.900 609 2HG2 ILE 73 2HG2 ILE 76 6.878 8.142 10.640 610 3HG2 ILE 73 3HG2 ILE 76 5.953 9.245 9.604 611 1HD1 ILE 73 1HD1 ILE 76 7.251 9.989 6.942 612 2HD1 ILE 73 2HD1 ILE 76 7.342 10.556 8.621 613 3HD1 ILE 73 3HD1 ILE 76 8.775 10.601 7.614 614 H SER 74 H SER 77 6.056 5.146 6.811 615 HA SER 74 HA SER 77 4.387 3.314 8.336 616 1HB SER 74 1HB SER 77 2.247 4.454 7.850 617 2HB SER 74 2HB SER 77 3.229 5.352 9.005 618 HG SER 74 HG SER 77 3.959 6.656 7.246 619 H GLN 75 H GLN 78 3.060 4.930 5.581 620 HA GLN 75 HA GLN 78 4.271 3.102 3.680 621 1HB GLN 75 1HB GLN 78 1.561 2.449 3.267 622 2HB GLN 75 2HB GLN 78 2.892 1.418 3.752 623 1HG GLN 75 1HG GLN 78 1.121 1.032 5.256 624 2HG GLN 75 2HG GLN 78 2.384 1.858 6.165 625 1HE2 GLN 75 1HE2 GLN 78 -0.492 3.672 7.361 626 2HE2 GLN 75 2HE2 GLN 78 0.550 2.303 7.702 No H/Q in entry = 627 Start of MODEL 9 Raw file had 628 H/Q atoms Start of MODEL 9 1 1H SER -2 1H SER 1 -1.919 11.024 3.126 2 2H SER -2 2H SER 1 -0.401 10.608 2.670 3 3H SER -2 3H SER 1 -1.086 9.822 3.971 4 HA SER -2 HA SER 1 -1.104 11.909 5.170 5 1HB SER -2 1HB SER 1 1.756 11.821 4.410 6 2HB SER -2 2HB SER 1 0.984 11.438 5.951 7 HG SER -2 HG SER 1 0.590 9.365 5.194 8 H ALA -1 H ALA 2 1.065 13.879 4.734 9 HA ALA -1 HA ALA 2 -0.327 15.588 2.832 10 1HB ALA -1 1HB ALA 2 0.519 16.423 4.987 11 2HB ALA -1 2HB ALA 2 2.183 16.039 4.489 12 3HB ALA -1 3HB ALA 2 1.252 17.279 3.619 13 H GLN 0 H GLN 3 0.461 13.518 1.225 14 HA GLN 0 HA GLN 3 3.102 14.087 0.033 15 1HB GLN 0 1HB GLN 3 0.809 12.283 -0.865 16 2HB GLN 0 2HB GLN 3 2.310 12.529 -1.756 17 1HG GLN 0 1HG GLN 3 2.675 10.545 -0.608 18 2HG GLN 0 2HG GLN 3 3.617 11.764 0.256 19 1HE2 GLN 0 1HE2 GLN 3 2.164 10.147 3.120 20 2HE2 GLN 0 2HE2 GLN 3 3.618 10.270 2.146 21 H LYS 1 H LYS 4 2.381 16.457 0.004 22 HA LYS 1 HA LYS 4 0.463 17.324 -1.870 23 1HB LYS 1 1HB LYS 4 1.304 18.705 0.002 24 2HB LYS 1 2HB LYS 4 2.891 18.789 -0.767 25 1HG LYS 1 1HG LYS 4 1.602 20.851 -1.075 26 2HG LYS 1 2HG LYS 4 1.964 20.092 -2.632 27 1HD LYS 1 1HD LYS 4 -0.343 19.240 -2.792 28 2HD LYS 1 2HD LYS 4 -0.682 19.764 -1.133 29 1HE LYS 1 1HE LYS 4 -1.656 21.326 -2.733 30 2HE LYS 1 2HE LYS 4 -0.373 22.133 -1.818 31 1HZ LYS 1 2HZ LYS 4 -0.096 21.002 -4.519 32 2HZ LYS 1 3HZ LYS 4 -0.272 22.601 -4.162 33 3HZ LYS 1 1HZ LYS 4 1.081 21.796 -3.680 34 H SER 2 H SER 5 3.791 16.772 -2.185 35 HA SER 2 HA SER 5 3.862 16.017 -4.875 36 1HB SER 2 1HB SER 5 3.374 18.137 -5.755 37 2HB SER 2 2HB SER 5 4.201 18.993 -4.447 38 HG SER 2 HG SER 5 5.290 19.001 -6.521 39 HA PRO 3 HA PRO 6 7.911 14.915 -3.347 40 1HB PRO 3 1HB PRO 6 9.367 14.637 -5.676 41 2HB PRO 3 2HB PRO 6 8.169 13.445 -5.099 42 1HG PRO 3 1HG PRO 6 7.744 15.647 -7.134 43 2HG PRO 3 2HG PRO 6 7.281 13.927 -7.266 44 1HD PRO 3 1HD PRO 6 5.479 15.786 -6.524 45 2HD PRO 3 2HD PRO 6 5.502 14.203 -5.698 46 H ALA 4 H ALA 7 7.556 17.538 -5.788 47 HA ALA 4 HA ALA 7 10.057 18.768 -5.199 48 1HB ALA 4 1HB ALA 7 8.770 19.228 -7.282 49 2HB ALA 4 2HB ALA 7 7.513 20.032 -6.311 50 3HB ALA 4 3HB ALA 7 9.147 20.722 -6.400 51 H GLU 5 H GLU 8 6.963 18.989 -3.843 52 HA GLU 5 HA GLU 8 7.446 21.269 -2.113 53 1HB GLU 5 1HB GLU 8 5.191 20.349 -2.868 54 2HB GLU 5 2HB GLU 8 5.352 19.110 -1.612 55 1HG GLU 5 1HG GLU 8 5.411 22.145 -1.199 56 2HG GLU 5 2HG GLU 8 3.998 21.117 -0.953 57 H LEU 6 H LEU 9 7.409 17.703 -1.604 58 HA LEU 6 HA LEU 9 8.401 17.791 1.047 59 1HB LEU 6 1HB LEU 9 8.751 15.643 -1.073 60 2HB LEU 6 2HB LEU 9 9.132 15.416 0.638 61 HG LEU 6 HG LEU 9 6.344 16.087 -0.418 62 1HD1 LEU 6 1HD1 LEU 9 7.101 13.857 -1.163 63 2HD1 LEU 6 2HD1 LEU 9 7.507 13.432 0.515 64 3HD1 LEU 6 3HD1 LEU 9 5.818 13.732 0.052 65 1HD2 LEU 6 1HD2 LEU 9 7.312 15.258 2.350 66 2HD2 LEU 6 2HD2 LEU 9 6.591 16.821 1.902 67 3HD2 LEU 6 3HD2 LEU 9 5.612 15.356 1.846 68 H LYS 7 H LYS 10 10.031 17.830 -1.937 69 HA LYS 7 HA LYS 10 12.718 17.709 -0.932 70 1HB LYS 7 1HB LYS 10 12.203 17.318 -3.295 71 2HB LYS 7 2HB LYS 10 11.770 19.016 -3.508 72 1HG LYS 7 1HG LYS 10 13.956 19.790 -3.070 73 2HG LYS 7 2HG LYS 10 14.517 18.242 -2.436 74 1HD LYS 7 1HD LYS 10 13.520 18.336 -5.290 75 2HD LYS 7 2HD LYS 10 15.066 19.103 -4.915 76 1HE LYS 7 1HE LYS 10 15.420 16.788 -5.643 77 2HE LYS 7 2HE LYS 10 15.976 17.041 -3.983 78 1HZ LYS 7 2HZ LYS 10 13.429 15.800 -4.756 79 2HZ LYS 7 3HZ LYS 10 14.769 15.009 -4.207 80 3HZ LYS 7 1HZ LYS 10 13.958 16.034 -3.214 81 H SER 8 H SER 11 10.584 20.512 -1.730 82 HA SER 8 HA SER 11 12.360 22.566 -0.968 83 1HB SER 8 1HB SER 11 9.330 22.549 -0.589 84 2HB SER 8 2HB SER 11 10.392 23.960 -0.635 85 HG SER 8 HG SER 11 10.043 22.097 -2.768 86 H ILE 9 H ILE 12 10.020 20.708 1.035 87 HA ILE 9 HA ILE 12 10.622 21.991 3.512 88 HB ILE 9 HB ILE 12 9.547 19.235 2.815 89 1HG1 ILE 9 1HG1 ILE 12 8.287 21.749 4.006 90 2HG1 ILE 9 2HG1 ILE 12 8.140 21.214 2.329 91 1HG2 ILE 9 2HG2 ILE 12 9.844 20.428 5.601 92 2HG2 ILE 9 3HG2 ILE 12 8.966 18.940 5.172 93 3HG2 ILE 9 1HG2 ILE 12 10.698 18.997 4.974 94 1HD1 ILE 9 1HD1 ILE 12 7.031 19.105 3.149 95 2HD1 ILE 9 2HD1 ILE 12 7.014 19.807 4.787 96 3HD1 ILE 9 3HD1 ILE 12 6.130 20.596 3.491 97 H PHE 10 H PHE 13 11.921 18.924 2.177 98 HA PHE 10 HA PHE 13 13.824 18.279 4.086 99 1HB PHE 10 1HB PHE 13 13.194 16.893 2.186 100 2HB PHE 10 2HB PHE 13 13.911 18.027 1.060 101 HD1 PHE 10 HD2 PHE 13 16.420 18.392 0.995 102 HD2 PHE 10 HD1 PHE 13 14.526 15.120 3.091 103 HE1 PHE 10 HE2 PHE 13 18.501 17.112 0.888 104 HE2 PHE 10 HE1 PHE 13 16.590 13.783 2.817 105 HZ PHE 10 HZ PHE 13 18.576 14.756 1.730 106 H GLU 11 H GLU 14 14.264 20.453 1.279 107 HA GLU 11 HA GLU 14 16.968 21.097 1.634 108 1HB GLU 11 1HB GLU 14 14.672 22.617 0.394 109 2HB GLU 11 2HB GLU 14 16.337 23.219 0.378 110 1HG GLU 11 1HG GLU 14 17.148 21.253 -0.777 111 2HG GLU 11 2HG GLU 14 15.589 20.452 -0.678 112 H LYS 12 H LYS 15 14.144 22.382 3.417 113 HA LYS 12 HA LYS 15 15.312 24.708 4.424 114 1HB LYS 12 1HB LYS 15 12.934 24.031 4.746 115 2HB LYS 12 2HB LYS 15 13.458 22.781 5.886 116 1HG LYS 12 1HG LYS 15 12.583 24.683 7.065 117 2HG LYS 12 2HG LYS 15 14.287 24.446 7.455 118 1HD LYS 12 1HD LYS 15 14.934 26.304 5.982 119 2HD LYS 12 2HD LYS 15 13.257 26.467 5.407 120 1HE LYS 12 1HE LYS 15 12.537 27.050 7.719 121 2HE LYS 12 2HE LYS 15 14.210 26.869 8.286 122 1HZ LYS 12 1HZ LYS 15 14.830 28.647 6.820 123 2HZ LYS 12 2HZ LYS 15 13.275 28.816 6.295 124 3HZ LYS 12 3HZ LYS 15 13.655 29.139 7.866 125 OH TYR 13 OH TYR 16 11.198 19.989 8.658 126 H TYR 13 H TYR 16 15.674 21.337 5.553 127 HA TYR 13 HA TYR 16 17.499 22.221 7.716 128 1HB TYR 13 1HB TYR 16 17.074 19.331 7.157 129 2HB TYR 13 2HB TYR 16 17.335 20.185 8.668 130 HD1 TYR 13 HD1 TYR 16 14.870 19.227 6.096 131 HD2 TYR 13 HD2 TYR 16 15.434 20.672 10.097 132 HE1 TYR 13 HE1 TYR 16 12.474 19.090 6.469 133 HE2 TYR 13 HE2 TYR 16 12.980 20.841 10.379 134 HH TYR 13 HH TYR 16 10.728 19.411 8.044 135 H ALA 14 H ALA 17 17.555 20.136 4.756 136 HA ALA 14 HA ALA 17 20.233 19.417 4.936 137 1HB ALA 14 2HB ALA 17 18.530 19.811 2.436 138 2HB ALA 14 3HB ALA 17 20.105 19.023 2.423 139 3HB ALA 14 1HB ALA 17 18.791 18.312 3.352 140 H ALA 15 H ALA 18 18.936 22.408 3.449 141 HA ALA 15 HA ALA 18 21.269 23.384 2.294 142 1HB ALA 15 1HB ALA 18 19.089 24.434 2.010 143 2HB ALA 15 2HB ALA 18 19.084 24.949 3.717 144 3HB ALA 15 3HB ALA 18 20.275 25.621 2.583 145 H LYS 16 H LYS 19 20.596 23.160 5.792 146 HA LYS 16 HA LYS 19 22.412 25.160 6.669 147 1HB LYS 16 1HB LYS 19 21.675 22.508 7.977 148 2HB LYS 16 2HB LYS 19 22.507 23.855 8.765 149 1HG LYS 16 1HG LYS 19 20.558 25.339 8.301 150 2HG LYS 16 2HG LYS 19 19.684 23.967 7.596 151 1HD LYS 16 1HD LYS 19 19.931 22.732 9.769 152 2HD LYS 16 2HD LYS 19 20.721 24.163 10.461 153 1HE LYS 16 1HE LYS 19 18.641 25.498 9.915 154 2HE LYS 16 2HE LYS 19 17.868 23.999 9.369 155 1HZ LYS 16 1HZ LYS 19 18.227 23.124 11.604 156 2HZ LYS 16 2HZ LYS 19 18.872 24.565 12.067 157 3HZ LYS 16 3HZ LYS 19 17.292 24.485 11.608 158 H GLU 17 H GLU 20 22.980 21.946 5.345 159 HA GLU 17 HA GLU 20 25.793 21.796 6.194 160 1HB GLU 17 1HB GLU 20 24.148 20.227 4.191 161 2HB GLU 17 2HB GLU 20 25.723 19.742 4.862 162 1HG GLU 17 1HG GLU 20 24.652 19.784 7.176 163 2HG GLU 17 2HG GLU 20 23.078 19.992 6.389 164 H GLY 18 H GLY 21 24.215 23.602 3.865 165 1HA GLY 18 1HA GLY 21 25.152 24.879 2.141 166 2HA GLY 18 2HA GLY 21 26.639 23.905 2.178 167 H ASP 19 H ASP 22 26.015 21.418 1.849 168 HA ASP 19 HA ASP 22 25.026 21.056 -0.823 169 1HB ASP 19 1HB ASP 22 26.651 19.531 0.165 170 2HB ASP 19 2HB ASP 22 25.517 19.091 1.452 171 HA PRO 20 HA PRO 23 20.772 21.208 0.861 172 1HB PRO 20 1HB PRO 23 19.352 21.581 -1.408 173 2HB PRO 20 2HB PRO 23 20.455 22.840 -0.784 174 1HG PRO 20 1HG PRO 23 21.051 20.759 -2.916 175 2HG PRO 20 2HG PRO 23 21.263 22.530 -3.039 176 1HD PRO 20 1HD PRO 23 23.308 20.859 -2.337 177 2HD PRO 20 2HD PRO 23 23.144 22.493 -1.638 178 H ASN 21 H ASN 24 22.261 18.625 -0.783 179 HA ASN 21 HA ASN 24 19.741 17.139 -1.140 180 1HB ASN 21 1HB ASN 24 21.377 17.259 -3.003 181 2HB ASN 21 2HB ASN 24 22.581 16.453 -1.985 182 1HD2 ASN 21 1HD2 ASN 24 21.419 13.276 -2.969 183 2HD2 ASN 21 2HD2 ASN 24 22.773 14.288 -2.478 184 H GLN 22 H GLN 25 21.669 17.493 1.568 185 HA GLN 22 HA GLN 25 20.691 14.846 2.470 186 1HB GLN 22 1HB GLN 25 23.319 15.773 3.559 187 2HB GLN 22 2HB GLN 25 22.696 14.153 3.434 188 1HG GLN 22 1HG GLN 25 23.172 14.248 0.901 189 2HG GLN 22 2HG GLN 25 24.019 15.771 1.209 190 1HE2 GLN 22 1HE2 GLN 25 26.555 14.042 3.320 191 2HE2 GLN 22 2HE2 GLN 25 25.468 15.413 3.464 192 H LEU 23 H LEU 26 20.452 14.571 4.704 193 HA LEU 23 HA LEU 26 21.124 16.910 6.158 194 1HB LEU 23 1HB LEU 26 18.783 16.152 7.469 195 2HB LEU 23 2HB LEU 26 19.069 17.590 6.457 196 HG LEU 23 HG LEU 26 18.279 16.301 4.506 197 1HD1 LEU 23 2HD1 LEU 26 17.340 14.439 6.727 198 2HD1 LEU 23 3HD1 LEU 26 16.805 14.284 5.059 199 3HD1 LEU 23 1HD1 LEU 26 18.500 13.968 5.475 200 1HD2 LEU 23 1HD2 LEU 26 16.417 16.834 6.836 201 2HD2 LEU 23 2HD2 LEU 26 16.844 17.905 5.473 202 3HD2 LEU 23 3HD2 LEU 26 15.845 16.479 5.191 203 H SER 24 H SER 27 22.114 16.468 8.079 204 HA SER 24 HA SER 27 22.641 13.637 8.627 205 1HB SER 24 1HB SER 27 23.908 16.161 9.802 206 2HB SER 24 2HB SER 27 24.526 14.521 9.971 207 HG SER 24 HG SER 27 24.226 15.989 7.562 208 H LYS 25 H LYS 28 23.061 13.242 11.088 209 HA LYS 25 HA LYS 28 20.829 12.739 12.500 210 1HB LYS 25 1HB LYS 28 23.496 13.741 13.568 211 2HB LYS 25 2HB LYS 28 22.193 13.157 14.612 212 1HG LYS 25 1HG LYS 28 22.219 10.966 13.515 213 2HG LYS 25 2HG LYS 28 23.530 11.495 12.439 214 1HD LYS 25 1HD LYS 28 25.037 11.825 14.336 215 2HD LYS 25 2HD LYS 28 23.714 11.602 15.489 216 1HE LYS 25 1HE LYS 28 25.091 9.605 15.443 217 2HE LYS 25 2HE LYS 28 23.473 9.237 14.833 218 1HZ LYS 25 2HZ LYS 28 25.842 9.747 13.168 219 2HZ LYS 25 3HZ LYS 28 25.224 8.268 13.535 220 3HZ LYS 25 1HZ LYS 28 24.339 9.322 12.627 221 H GLU 26 H GLU 29 22.503 15.892 12.810 222 HA GLU 26 HA GLU 29 20.741 17.017 14.735 223 1HB GLU 26 1HB GLU 29 22.482 18.420 12.640 224 2HB GLU 26 2HB GLU 29 21.700 19.174 14.025 225 1HG GLU 26 1HG GLU 29 23.966 18.832 14.635 226 2HG GLU 26 2HG GLU 29 23.005 17.674 15.559 227 H GLU 27 H GLU 30 20.910 17.605 11.208 228 HA GLU 27 HA GLU 30 18.627 19.230 10.946 229 1HB GLU 27 1HB GLU 30 19.949 17.252 9.038 230 2HB GLU 27 2HB GLU 30 18.639 18.335 8.585 231 1HG GLU 27 1HG GLU 30 20.652 19.365 7.851 232 2HG GLU 27 2HG GLU 30 20.068 20.299 9.230 233 H LEU 28 H LEU 31 18.990 15.692 10.697 234 HA LEU 28 HA LEU 31 16.308 15.029 10.080 235 1HB LEU 28 1HB LEU 31 18.530 13.553 11.540 236 2HB LEU 28 2HB LEU 31 16.976 12.804 11.199 237 HG LEU 28 HG LEU 31 18.635 14.041 8.978 238 1HD1 LEU 28 1HD1 LEU 31 19.927 12.252 10.290 239 2HD1 LEU 28 2HD1 LEU 31 18.659 11.118 9.767 240 3HD1 LEU 28 3HD1 LEU 31 19.658 11.964 8.572 241 1HD2 LEU 28 1HD2 LEU 31 16.503 11.849 9.050 242 2HD2 LEU 28 2HD2 LEU 31 16.242 13.486 8.447 243 3HD2 LEU 28 3HD2 LEU 31 17.356 12.379 7.607 244 H LYS 29 H LYS 32 17.968 15.174 13.304 245 HA LYS 29 HA LYS 32 15.715 14.464 14.813 246 1HB LYS 29 1HB LYS 32 17.890 14.626 15.885 247 2HB LYS 29 2HB LYS 32 18.052 16.327 15.441 248 1HG LYS 29 1HG LYS 32 17.540 16.163 17.779 249 2HG LYS 29 2HG LYS 32 16.194 16.959 16.953 250 1HD LYS 29 1HD LYS 32 14.937 14.788 16.941 251 2HD LYS 29 2HD LYS 32 16.293 14.000 17.766 252 1HE LYS 29 1HE LYS 32 14.598 16.303 18.852 253 2HE LYS 29 2HE LYS 32 14.440 14.600 19.301 254 1HZ LYS 29 1HZ LYS 32 16.681 14.686 20.150 255 2HZ LYS 29 2HZ LYS 32 16.791 16.289 19.772 256 3HZ LYS 29 3HZ LYS 32 15.706 15.785 20.901 257 H GLN 30 H GLN 33 16.825 17.748 13.776 258 HA GLN 30 HA GLN 33 14.672 19.081 14.994 259 1HB GLN 30 1HB GLN 33 16.240 19.833 12.474 260 2HB GLN 30 2HB GLN 33 15.092 20.913 13.283 261 1HG GLN 30 1HG GLN 33 16.417 20.760 15.379 262 2HG GLN 30 2HG GLN 33 17.598 19.734 14.565 263 1HE2 GLN 30 1HE2 GLN 33 17.889 23.733 14.173 264 2HE2 GLN 30 2HE2 GLN 33 16.775 22.968 15.288 265 H LEU 31 H LEU 34 14.948 17.823 11.632 266 HA LEU 31 HA LEU 34 12.415 18.418 10.680 267 1HB LEU 31 1HB LEU 34 14.277 17.402 9.405 268 2HB LEU 31 2HB LEU 34 13.970 15.847 10.166 269 HG LEU 31 HG LEU 34 11.880 17.290 8.511 270 1HD1 LEU 31 1HD1 LEU 34 13.954 16.893 7.176 271 2HD1 LEU 31 2HD1 LEU 34 13.882 15.179 7.610 272 3HD1 LEU 31 3HD1 LEU 34 12.597 15.912 6.619 273 1HD2 LEU 31 1HD2 LEU 34 12.195 14.379 9.383 274 2HD2 LEU 31 2HD2 LEU 34 10.864 15.477 9.809 275 3HD2 LEU 31 3HD2 LEU 34 11.048 14.934 8.150 276 H ILE 32 H ILE 35 13.286 15.592 12.403 277 HA ILE 32 HA ILE 35 10.679 14.461 12.672 278 HB ILE 32 HB ILE 35 13.097 14.215 14.492 279 1HG1 ILE 32 1HG1 ILE 35 13.452 13.232 12.282 280 2HG1 ILE 32 2HG1 ILE 35 13.415 12.033 13.565 281 1HG2 ILE 32 2HG2 ILE 35 10.447 12.752 14.692 282 2HG2 ILE 32 3HG2 ILE 35 11.971 12.184 15.417 283 3HG2 ILE 32 1HG2 ILE 35 11.269 13.709 15.937 284 1HD1 ILE 32 1HD1 ILE 35 11.005 11.514 12.894 285 2HD1 ILE 32 2HD1 ILE 35 11.239 12.623 11.519 286 3HD1 ILE 32 3HD1 ILE 35 12.214 11.158 11.665 287 H GLN 33 H GLN 36 12.388 16.205 15.037 288 HA GLN 33 HA GLN 36 10.421 16.380 16.981 289 1HB GLN 33 1HB GLN 36 11.870 17.534 18.235 290 2HB GLN 33 2HB GLN 36 13.003 17.076 16.967 291 1HG GLN 33 1HG GLN 36 12.555 19.346 15.904 292 2HG GLN 33 2HG GLN 36 11.608 19.752 17.343 293 1HE2 GLN 33 1HE2 GLN 36 14.793 21.207 18.185 294 2HE2 GLN 33 2HE2 GLN 36 13.306 21.554 17.315 295 H ALA 34 H ALA 37 10.963 18.656 14.291 296 HA ALA 34 HA ALA 37 8.813 20.448 15.263 297 1HB ALA 34 1HB ALA 37 10.936 21.385 14.462 298 2HB ALA 34 2HB ALA 37 10.667 20.651 12.865 299 3HB ALA 34 3HB ALA 37 9.563 21.907 13.464 300 H GLU 35 H GLU 38 9.509 18.411 12.369 301 HA GLU 35 HA GLU 38 7.067 19.240 11.083 302 1HB GLU 35 1HB GLU 38 9.353 18.571 10.060 303 2HB GLU 35 2HB GLU 38 8.766 16.905 10.210 304 1HG GLU 35 1HG GLU 38 6.735 17.598 8.857 305 2HG GLU 35 2HG GLU 38 7.468 19.196 8.665 306 H PHE 36 H PHE 39 8.043 16.221 12.881 307 HA PHE 36 HA PHE 39 5.202 15.628 13.168 308 1HB PHE 36 1HB PHE 39 5.397 13.356 12.079 309 2HB PHE 36 2HB PHE 39 5.175 14.755 11.068 310 HD1 PHE 36 HD2 PHE 39 7.686 12.194 12.136 311 HD2 PHE 36 HD1 PHE 39 6.667 15.291 9.313 312 HE1 PHE 36 HE2 PHE 39 9.335 11.290 10.541 313 HE2 PHE 36 HE1 PHE 39 8.360 14.407 7.741 314 HZ PHE 36 HZ PHE 39 9.683 12.396 8.338 315 HA PRO 37 HA PRO 40 7.919 13.992 16.483 316 1HB PRO 37 1HB PRO 40 6.740 15.314 18.619 317 2HB PRO 37 2HB PRO 40 8.110 15.955 17.672 318 1HG PRO 37 1HG PRO 40 5.170 16.574 17.303 319 2HG PRO 37 2HG PRO 40 6.535 17.716 17.356 320 1HD PRO 37 1HD PRO 40 5.515 16.891 14.992 321 2HD PRO 37 2HD PRO 40 7.280 17.057 15.184 322 H SER 38 H SER 41 4.635 14.780 16.347 323 HA SER 38 HA SER 41 3.218 13.157 18.054 324 1HB SER 38 1HB SER 41 1.426 13.321 16.166 325 2HB SER 38 2HB SER 41 2.066 14.823 16.862 326 HG SER 38 HG SER 41 2.088 14.862 14.553 327 H LEU 39 H LEU 42 4.334 12.258 14.769 328 HA LEU 39 HA LEU 42 3.070 9.701 14.718 329 1HB LEU 39 1HB LEU 42 5.633 10.610 13.350 330 2HB LEU 39 2HB LEU 42 4.754 9.121 12.979 331 HG LEU 39 HG LEU 42 3.678 11.952 12.616 332 1HD1 LEU 39 1HD1 LEU 42 5.451 11.210 10.984 333 2HD1 LEU 39 2HD1 LEU 42 4.432 9.824 10.562 334 3HD1 LEU 39 3HD1 LEU 42 3.872 11.475 10.226 335 1HD2 LEU 39 1HD2 LEU 42 2.397 9.253 12.013 336 2HD2 LEU 39 2HD2 LEU 42 1.784 10.511 13.113 337 3HD2 LEU 39 3HD2 LEU 42 1.819 10.807 11.377 338 H LEU 40 H LEU 43 6.122 10.741 16.257 339 HA LEU 40 HA LEU 43 6.816 7.943 16.877 340 1HB LEU 40 1HB LEU 43 8.140 10.515 17.758 341 2HB LEU 40 2HB LEU 43 8.737 8.865 17.989 342 HG LEU 40 HG LEU 43 8.363 10.320 15.340 343 1HD1 LEU 40 1HD1 LEU 43 10.355 10.911 16.713 344 2HD1 LEU 40 2HD1 LEU 43 10.824 9.196 16.747 345 3HD1 LEU 40 3HD1 LEU 43 10.806 10.079 15.205 346 1HD2 LEU 40 1HD2 LEU 43 9.163 7.427 15.860 347 2HD2 LEU 40 2HD2 LEU 43 7.803 8.006 14.866 348 3HD2 LEU 40 3HD2 LEU 43 9.461 8.278 14.331 349 H LYS 41 H LYS 44 4.440 8.084 17.710 350 HA LYS 41 HA LYS 44 4.110 8.934 20.492 351 1HB LYS 41 1HB LYS 44 1.990 7.763 20.368 352 2HB LYS 41 2HB LYS 44 2.226 9.012 19.148 353 1HG LYS 41 1HG LYS 44 2.694 7.204 17.423 354 2HG LYS 41 2HG LYS 44 2.408 6.003 18.692 355 1HD LYS 41 1HD LYS 44 0.305 6.050 17.911 356 2HD LYS 41 2HD LYS 44 0.156 7.444 18.990 357 1HE LYS 41 1HE LYS 44 0.805 7.551 15.990 358 2HE LYS 41 2HE LYS 44 -0.790 7.832 16.702 359 1HZ LYS 41 1HZ LYS 44 0.129 9.693 17.888 360 2HZ LYS 41 2HZ LYS 44 1.597 9.486 17.174 361 3HZ LYS 41 3HZ LYS 44 0.287 9.872 16.259 362 H GLY 42 H GLY 45 6.324 7.814 20.748 363 1HA GLY 42 1HA GLY 45 6.615 6.059 22.628 364 2HA GLY 42 2HA GLY 45 6.265 4.906 21.314 365 HA PRO 43 HA PRO 46 10.684 6.761 20.965 366 1HB PRO 43 1HB PRO 46 12.303 5.202 22.488 367 2HB PRO 43 2HB PRO 46 11.320 6.513 23.187 368 1HG PRO 43 1HG PRO 46 10.591 3.570 23.056 369 2HG PRO 43 2HG PRO 46 10.614 4.620 24.505 370 1HD PRO 43 1HD PRO 46 8.318 4.176 23.096 371 2HD PRO 43 2HD PRO 46 8.675 5.786 23.791 372 NH1 ARG 44 NH2 ARG 47 5.238 5.447 17.619 373 NH2 ARG 44 NH1 ARG 47 4.820 3.735 19.114 374 H ARG 44 H ARG 47 9.573 5.607 18.964 375 HA ARG 44 HA ARG 47 10.998 3.080 18.281 376 1HB ARG 44 1HB ARG 47 9.475 2.622 16.661 377 2HB ARG 44 2HB ARG 47 8.658 2.950 18.196 378 1HG ARG 44 1HG ARG 47 8.143 5.257 17.378 379 2HG ARG 44 2HG ARG 47 8.918 4.836 15.832 380 1HD ARG 44 1HD ARG 47 6.543 4.429 15.505 381 2HD ARG 44 2HD ARG 47 7.376 2.877 15.639 382 HE ARG 44 HE ARG 47 6.303 2.401 17.611 383 1HH1 ARG 44 1HH2 ARG 47 5.675 5.795 16.779 384 2HH1 ARG 44 2HH2 ARG 47 4.613 6.042 18.135 385 1HH2 ARG 44 1HH1 ARG 47 4.936 2.777 19.405 386 2HH2 ARG 44 2HH1 ARG 47 4.294 4.376 19.708 387 H THR 45 H THR 48 12.655 3.047 16.803 388 HA THR 45 HA THR 48 14.190 3.672 15.511 389 HB THR 45 HB THR 48 12.149 5.386 14.040 No match found for entry HG1THR 45 390 1HG2 THR 45 1HG2 THR 48 14.636 5.593 13.396 391 2HG2 THR 45 2HG2 THR 48 14.595 3.805 13.266 392 3HG2 THR 45 3HG2 THR 48 13.596 4.817 12.178 393 H LEU 46 H LEU 49 12.589 6.642 15.484 394 HA LEU 46 HA LEU 49 13.206 8.772 15.279 395 1HB LEU 46 1HB LEU 49 13.386 8.256 17.801 396 2HB LEU 46 2HB LEU 49 15.125 8.499 17.597 397 HG LEU 46 HG LEU 49 12.919 10.495 16.827 398 1HD1 LEU 46 1HD1 LEU 49 13.063 10.116 19.257 399 2HD1 LEU 46 2HD1 LEU 49 14.801 10.487 19.214 400 3HD1 LEU 46 3HD1 LEU 49 13.607 11.742 18.819 401 1HD2 LEU 46 1HD2 LEU 49 15.954 10.798 16.862 402 2HD2 LEU 46 2HD2 LEU 49 14.859 11.025 15.476 403 3HD2 LEU 46 3HD2 LEU 49 14.818 12.161 16.811 404 H ASP 47 H ASP 50 16.336 7.140 16.021 405 HA ASP 47 HA ASP 50 17.426 8.243 13.478 406 1HB ASP 47 1HB ASP 50 18.122 9.591 15.561 407 2HB ASP 47 2HB ASP 50 18.825 8.077 16.177 408 H ASP 48 H ASP 51 16.918 5.459 15.313 409 HA ASP 48 HA ASP 51 19.230 3.950 14.938 410 1HB ASP 48 1HB ASP 51 17.303 3.063 16.129 411 2HB ASP 48 2HB ASP 51 16.339 3.037 14.644 412 H LEU 49 H LEU 52 16.539 4.005 12.477 413 HA LEU 49 HA LEU 52 18.261 2.698 10.582 414 1HB LEU 49 1HB LEU 52 16.577 2.894 8.953 415 2HB LEU 49 2HB LEU 52 15.902 2.410 10.502 416 HG LEU 49 HG LEU 52 15.348 5.010 10.730 417 1HD1 LEU 49 1HD1 LEU 52 16.479 5.659 8.572 418 2HD1 LEU 49 2HD1 LEU 52 15.350 4.607 7.705 419 3HD1 LEU 49 3HD1 LEU 52 14.750 6.029 8.579 420 1HD2 LEU 49 2HD2 LEU 52 13.710 3.108 10.627 421 2HD2 LEU 49 3HD2 LEU 52 13.142 4.525 9.717 422 3HD2 LEU 49 1HD2 LEU 52 13.825 3.127 8.859 423 H PHE 50 H PHE 53 17.549 6.123 11.218 424 HA PHE 50 HA PHE 53 18.812 7.325 8.997 425 1HB PHE 50 1HB PHE 53 18.730 8.049 11.916 426 2HB PHE 50 2HB PHE 53 19.363 9.150 10.824 427 HD1 PHE 50 HD2 PHE 53 16.826 8.005 8.773 428 HD2 PHE 50 HD1 PHE 53 17.449 10.273 12.402 429 HE1 PHE 50 HE2 PHE 53 14.745 9.184 8.409 430 HE2 PHE 50 HE1 PHE 53 15.220 11.276 12.137 431 HZ PHE 50 HZ PHE 53 13.851 10.759 10.141 432 H GLN 51 H GLN 54 20.307 6.001 11.972 433 HA GLN 51 HA GLN 54 22.926 6.798 11.239 434 1HB GLN 51 1HB GLN 54 22.372 6.155 13.536 435 2HB GLN 51 2HB GLN 54 21.886 4.539 13.025 436 1HG GLN 51 1HG GLN 54 24.030 4.447 14.121 437 2HG GLN 51 2HG GLN 54 24.230 3.981 12.436 438 1HE2 GLN 51 1HE2 GLN 54 26.268 6.854 11.624 439 2HE2 GLN 51 2HE2 GLN 54 25.202 5.632 10.940 440 H GLU 52 H GLU 55 21.005 3.908 10.373 441 HA GLU 52 HA GLU 55 23.209 2.529 9.095 442 1HB GLU 52 1HB GLU 55 20.212 2.247 8.592 443 2HB GLU 52 2HB GLU 55 21.485 1.134 8.085 444 1HG GLU 52 1HG GLU 55 22.084 0.717 10.464 445 2HG GLU 52 2HG GLU 55 20.779 1.790 10.987 446 H LEU 53 H LEU 56 20.758 4.871 8.077 447 HA LEU 53 HA LEU 56 21.429 4.885 5.233 448 1HB LEU 53 1HB LEU 56 19.849 6.758 6.987 449 2HB LEU 53 2HB LEU 56 19.939 6.820 5.238 450 HG LEU 53 HG LEU 56 18.706 4.582 6.869 451 1HD1 LEU 53 1HD1 LEU 56 17.468 6.748 6.743 452 2HD1 LEU 53 2HD1 LEU 56 17.501 6.639 4.977 453 3HD1 LEU 53 3HD1 LEU 56 16.630 5.418 5.926 454 1HD2 LEU 53 1HD2 LEU 56 18.925 4.835 3.843 455 2HD2 LEU 53 2HD2 LEU 56 19.666 3.575 4.859 456 3HD2 LEU 53 3HD2 LEU 56 17.912 3.678 4.726 457 H ASP 54 H ASP 57 23.736 5.505 7.212 458 HA ASP 54 HA ASP 57 24.329 8.357 6.821 459 1HB ASP 54 1HB ASP 57 26.248 7.902 8.109 460 2HB ASP 54 2HB ASP 57 24.820 7.238 8.905 461 H LYS 55 H LYS 58 24.245 8.434 4.529 462 HA LYS 55 HA LYS 58 25.487 7.359 2.504 463 1HB LYS 55 1HB LYS 58 24.503 9.784 2.840 464 2HB LYS 55 2HB LYS 58 26.159 10.294 2.970 465 1HG LYS 55 1HG LYS 58 24.915 8.800 0.611 466 2HG LYS 55 2HG LYS 58 25.206 10.535 0.734 467 1HD LYS 55 1HD LYS 58 27.706 9.987 1.032 468 2HD LYS 55 2HD LYS 58 27.289 8.330 0.547 469 1HE LYS 55 1HE LYS 58 28.044 9.496 -1.407 470 2HE LYS 55 2HE LYS 58 26.299 9.241 -1.576 471 1HZ LYS 55 2HZ LYS 58 27.599 11.727 -0.686 472 2HZ LYS 55 3HZ LYS 58 26.975 11.453 -2.186 473 3HZ LYS 55 1HZ LYS 58 25.979 11.515 -0.877 474 H ASN 56 H ASN 59 27.525 9.591 4.473 475 HA ASN 56 HA ASN 59 29.951 8.393 3.264 476 1HB ASN 56 1HB ASN 59 29.322 10.931 3.419 477 2HB ASN 56 2HB ASN 59 29.957 10.808 5.061 478 1HD2 ASN 56 1HD2 ASN 59 33.360 10.146 3.829 479 2HD2 ASN 56 2HD2 ASN 59 32.245 9.602 5.086 480 H GLY 57 H GLY 60 28.512 6.816 5.324 481 1HA GLY 57 1HA GLY 60 29.016 5.549 7.152 482 2HA GLY 57 2HA GLY 60 30.710 5.827 6.740 483 H ASP 58 H ASP 61 28.242 8.144 7.829 484 HA ASP 58 HA ASP 61 29.642 8.545 10.434 485 1HB ASP 58 1HB ASP 61 30.648 10.199 9.029 486 2HB ASP 58 2HB ASP 61 29.103 10.691 8.338 487 H GLY 59 H GLY 62 27.120 10.570 8.994 488 1HA GLY 59 1HA GLY 62 24.839 9.235 10.162 489 2HA GLY 59 2HA GLY 62 25.422 10.580 11.175 490 H GLU 60 H GLU 63 25.435 10.161 7.692 491 HA GLU 60 HA GLU 63 24.126 12.796 7.165 492 1HB GLU 60 1HB GLU 63 26.098 10.995 5.728 493 2HB GLU 60 2HB GLU 63 25.388 12.451 4.998 494 1HG GLU 60 1HG GLU 63 26.379 13.871 6.772 495 2HG GLU 60 2HG GLU 63 27.118 12.450 7.523 496 H VAL 61 H VAL 64 21.887 12.356 6.541 497 HA VAL 61 HA VAL 64 21.508 9.923 4.824 498 HB VAL 61 HB VAL 64 19.484 11.518 6.411 499 1HG1 VAL 61 2HG1 VAL 64 19.327 8.857 4.975 500 2HG1 VAL 61 3HG1 VAL 64 18.063 9.524 6.025 501 3HG1 VAL 61 1HG1 VAL 64 18.503 10.355 4.514 502 1HG2 VAL 61 1HG2 VAL 64 20.843 8.846 7.026 503 2HG2 VAL 61 2HG2 VAL 64 21.063 10.324 7.955 504 3HG2 VAL 61 3HG2 VAL 64 19.485 9.525 7.935 505 H SER 62 H SER 65 21.803 10.354 2.812 506 HA SER 62 HA SER 65 21.292 12.968 1.655 507 1HB SER 62 1HB SER 65 22.062 11.973 -0.391 508 2HB SER 62 2HB SER 65 23.096 11.457 0.968 509 HG SER 62 HG SER 65 22.069 9.481 0.976 510 H PHE 63 H PHE 66 19.676 13.311 -0.153 511 HA PHE 63 HA PHE 66 17.079 12.617 0.554 512 1HB PHE 63 1HB PHE 66 17.830 14.371 -1.106 513 2HB PHE 63 2HB PHE 66 17.949 13.101 -2.315 514 HD1 PHE 63 HD1 PHE 66 15.847 11.933 -3.102 515 HD2 PHE 63 HD2 PHE 66 15.703 15.178 -0.263 516 HE1 PHE 63 HE1 PHE 66 13.387 12.065 -3.366 517 HE2 PHE 63 HE2 PHE 66 13.242 15.271 -0.494 518 HZ PHE 63 HZ PHE 66 12.076 13.725 -2.056 519 H GLU 64 H GLU 67 19.195 10.973 -1.742 520 HA GLU 64 HA GLU 67 17.546 8.948 -2.723 521 1HB GLU 64 1HB GLU 67 20.528 8.695 -2.110 522 2HB GLU 64 2HB GLU 67 19.573 7.755 -3.259 523 1HG GLU 64 1HG GLU 67 20.485 9.220 -4.736 524 2HG GLU 64 2HG GLU 67 19.064 10.178 -4.311 525 H GLU 65 H GLU 68 19.020 9.188 0.461 526 HA GLU 65 HA GLU 68 18.414 6.345 1.116 527 1HB GLU 65 1HB GLU 68 19.948 8.540 2.595 528 2HB GLU 65 2HB GLU 68 19.684 6.899 3.170 529 1HG GLU 65 1HG GLU 68 20.945 5.918 1.404 530 2HG GLU 65 2HG GLU 68 21.069 7.454 0.532 531 H PHE 66 H PHE 69 17.782 9.668 2.182 532 HA PHE 66 HA PHE 69 16.094 9.407 4.312 533 1HB PHE 66 1HB PHE 69 16.944 11.539 3.350 534 2HB PHE 66 2HB PHE 69 15.824 11.359 2.002 535 HD1 PHE 66 HD2 PHE 69 15.899 11.581 5.756 536 HD2 PHE 66 HD1 PHE 69 13.654 12.310 2.142 537 HE1 PHE 66 HE2 PHE 69 14.138 12.725 7.074 538 HE2 PHE 66 HE1 PHE 69 11.897 13.446 3.470 539 HZ PHE 66 HZ PHE 69 12.115 13.622 5.937 540 H GLN 67 H GLN 70 15.195 9.088 0.877 541 HA GLN 67 HA GLN 70 12.453 9.000 1.081 542 1HB GLN 67 1HB GLN 70 12.438 7.534 -0.924 543 2HB GLN 67 2HB GLN 70 13.417 8.994 -1.024 544 1HG GLN 67 1HG GLN 70 14.682 7.332 -2.085 545 2HG GLN 67 2HG GLN 70 15.459 7.634 -0.533 546 1HE2 GLN 67 1HE2 GLN 70 15.656 4.061 -0.550 547 2HE2 GLN 67 2HE2 GLN 70 16.520 5.553 -0.929 548 H VAL 68 H VAL 71 14.633 6.477 2.315 549 HA VAL 68 HA VAL 71 12.735 4.388 2.591 550 HB VAL 68 HB VAL 71 15.149 5.188 4.263 551 1HG1 VAL 68 2HG1 VAL 71 13.502 2.622 4.383 552 2HG1 VAL 68 3HG1 VAL 71 15.097 2.841 5.133 553 3HG1 VAL 68 1HG1 VAL 71 13.725 3.797 5.699 554 1HG2 VAL 68 1HG2 VAL 71 14.719 3.030 2.141 555 2HG2 VAL 68 2HG2 VAL 71 15.653 4.521 1.926 556 3HG2 VAL 68 3HG2 VAL 71 16.217 3.287 3.055 557 H LEU 69 H LEU 72 13.383 7.251 4.652 558 HA LEU 69 HA LEU 72 11.532 6.527 6.736 559 1HB LEU 69 1HB LEU 72 13.399 8.194 6.956 560 2HB LEU 69 2HB LEU 72 12.516 9.279 5.882 561 HG LEU 69 HG LEU 72 10.562 9.090 7.598 562 1HD1 LEU 69 2HD1 LEU 72 12.850 8.147 9.368 563 2HD1 LEU 69 3HD1 LEU 72 11.270 8.723 9.931 564 3HD1 LEU 69 1HD1 LEU 72 11.380 7.252 8.955 565 1HD2 LEU 69 1HD2 LEU 72 13.092 10.668 8.022 566 2HD2 LEU 69 2HD2 LEU 72 11.600 11.142 7.216 567 3HD2 LEU 69 3HD2 LEU 72 11.609 10.922 8.974 568 H VAL 70 H VAL 73 11.398 8.624 3.845 569 HA VAL 70 HA VAL 73 8.756 9.554 4.128 570 HB VAL 70 HB VAL 73 10.212 8.986 1.516 571 1HG1 VAL 70 2HG1 VAL 73 7.892 10.848 2.170 572 2HG1 VAL 70 3HG1 VAL 73 8.779 10.808 0.633 573 3HG1 VAL 70 1HG1 VAL 73 7.829 9.406 1.133 574 1HG2 VAL 70 1HG2 VAL 73 10.140 11.485 3.271 575 2HG2 VAL 70 2HG2 VAL 73 11.564 10.463 2.990 576 3HG2 VAL 70 3HG2 VAL 73 10.870 11.385 1.655 577 H LYS 71 H LYS 74 9.977 6.499 2.679 578 HA LYS 71 HA LYS 74 7.585 5.573 1.564 579 1HB LYS 71 1HB LYS 74 9.949 4.653 1.387 580 2HB LYS 71 2HB LYS 74 9.679 3.794 2.892 581 1HG LYS 71 1HG LYS 74 8.072 3.540 0.303 582 2HG LYS 71 2HG LYS 74 9.352 2.449 0.817 583 1HD LYS 71 1HD LYS 74 6.649 2.795 2.201 584 2HD LYS 71 2HD LYS 74 7.157 1.467 1.171 585 1HE LYS 71 1HE LYS 74 8.958 0.858 2.764 586 2HE LYS 71 2HE LYS 74 8.446 2.158 3.853 587 1HZ LYS 71 2HZ LYS 74 6.794 -0.116 3.034 588 2HZ LYS 71 3HZ LYS 74 7.526 0.085 4.496 589 3HZ LYS 71 1HZ LYS 74 6.321 1.109 4.032 590 H LYS 72 H LYS 75 8.880 4.656 4.858 591 HA LYS 72 HA LYS 75 6.409 3.442 5.586 592 1HB LYS 72 1HB LYS 75 7.315 3.308 7.833 593 2HB LYS 72 2HB LYS 75 8.435 2.762 6.577 594 1HG LYS 72 1HG LYS 75 9.448 5.168 6.730 595 2HG LYS 72 2HG LYS 75 8.595 5.279 8.277 596 1HD LYS 72 1HD LYS 75 10.629 3.212 7.347 597 2HD LYS 72 2HD LYS 75 10.940 4.532 8.488 598 1HE LYS 72 1HE LYS 75 9.224 3.538 10.061 599 2HE LYS 72 2HE LYS 75 9.079 2.147 8.970 600 1HZ LYS 72 1HZ LYS 75 11.411 1.729 9.313 601 2HZ LYS 72 2HZ LYS 75 11.512 2.996 10.366 602 3HZ LYS 72 3HZ LYS 75 10.573 1.695 10.732 603 H ILE 73 H ILE 76 7.641 6.779 6.363 604 HA ILE 73 HA ILE 76 5.370 7.404 7.970 605 HB ILE 73 HB ILE 76 5.931 9.771 7.635 606 1HG1 ILE 73 1HG1 ILE 76 8.269 9.959 6.327 607 2HG1 ILE 73 2HG1 ILE 76 7.310 8.810 5.364 608 1HG2 ILE 73 1HG2 ILE 76 7.098 8.419 9.339 609 2HG2 ILE 73 2HG2 ILE 76 8.363 8.024 8.161 610 3HG2 ILE 73 3HG2 ILE 76 8.126 9.703 8.687 611 1HD1 ILE 73 1HD1 ILE 76 5.447 10.453 5.248 612 2HD1 ILE 73 2HD1 ILE 76 6.416 11.591 6.214 613 3HD1 ILE 73 3HD1 ILE 76 6.947 11.128 4.589 614 H SER 74 H SER 77 5.763 7.356 4.426 615 HA SER 74 HA SER 77 3.192 8.622 4.009 616 1HB SER 74 1HB SER 77 4.984 7.092 2.083 617 2HB SER 74 2HB SER 77 3.529 7.981 1.628 618 HG SER 74 HG SER 77 5.919 8.992 2.730 619 H GLN 75 H GLN 78 3.305 6.080 5.726 620 HA GLN 75 HA GLN 78 1.905 4.376 6.135 621 1HB GLN 75 1HB GLN 78 0.083 5.584 4.013 622 2HB GLN 75 2HB GLN 78 -0.388 4.546 5.353 623 1HG GLN 75 1HG GLN 78 0.013 6.268 6.973 624 2HG GLN 75 2HG GLN 78 0.910 7.274 5.835 625 1HE2 GLN 75 1HE2 GLN 78 -3.193 7.166 5.381 626 2HE2 GLN 75 2HE2 GLN 78 -2.364 5.743 5.976 No H/Q in entry = 627 Start of MODEL 10 Raw file had 628 H/Q atoms Start of MODEL 10 1 1H SER -2 2H SER 1 1.732 22.300 8.625 2 2H SER -2 3H SER 1 2.557 23.738 8.878 3 3H SER -2 1H SER 1 2.533 22.959 7.350 4 HA SER -2 HA SER 1 4.585 22.545 8.258 5 1HB SER -2 1HB SER 1 3.264 21.620 10.838 6 2HB SER -2 2HB SER 1 4.945 22.141 10.564 7 HG SER -2 HG SER 1 3.694 23.853 11.476 8 H ALA -1 H ALA 2 5.535 20.311 8.391 9 HA ALA -1 HA ALA 2 5.613 18.122 7.960 10 1HB ALA -1 1HB ALA 2 3.904 17.822 9.754 11 2HB ALA -1 2HB ALA 2 2.630 17.855 8.514 12 3HB ALA -1 3HB ALA 2 3.855 16.594 8.486 13 H GLN 0 H GLN 3 2.493 19.221 6.625 14 HA GLN 0 HA GLN 3 1.667 19.273 4.521 15 1HB GLN 0 1HB GLN 3 4.462 19.085 3.373 16 2HB GLN 0 2HB GLN 3 3.047 19.895 2.701 17 1HG GLN 0 1HG GLN 3 4.690 20.806 5.117 18 2HG GLN 0 2HG GLN 3 4.703 21.512 3.517 19 1HE2 GLN 0 1HE2 GLN 3 1.550 23.215 3.883 20 2HE2 GLN 0 2HE2 GLN 3 2.596 22.459 2.694 21 H LYS 1 H LYS 4 1.871 17.980 2.240 22 HA LYS 1 HA LYS 4 2.595 15.163 2.732 23 1HB LYS 1 1HB LYS 4 -0.184 16.246 2.226 24 2HB LYS 1 2HB LYS 4 0.221 14.663 1.570 25 1HG LYS 1 1HG LYS 4 0.567 15.303 4.528 26 2HG LYS 1 2HG LYS 4 -0.922 14.658 3.829 27 1HD LYS 1 1HD LYS 4 0.255 12.698 2.957 28 2HD LYS 1 2HD LYS 4 1.800 13.282 3.606 29 1HE LYS 1 1HE LYS 4 0.952 13.129 5.896 30 2HE LYS 1 2HE LYS 4 -0.650 12.648 5.297 31 1HZ LYS 1 2HZ LYS 4 1.825 11.102 4.907 32 2HZ LYS 1 3HZ LYS 4 0.623 10.765 5.982 33 3HZ LYS 1 1HZ LYS 4 0.327 10.700 4.360 34 H SER 2 H SER 5 2.382 17.678 0.537 35 HA SER 2 HA SER 5 2.412 16.065 -1.832 36 1HB SER 2 1HB SER 5 3.556 18.851 -1.712 37 2HB SER 2 2HB SER 5 2.593 18.105 -2.992 38 HG SER 2 HG SER 5 0.800 18.186 -1.527 39 HA PRO 3 HA PRO 6 6.708 14.823 -1.662 40 1HB PRO 3 1HB PRO 6 7.379 14.683 -4.356 41 2HB PRO 3 2HB PRO 6 6.439 13.452 -3.469 42 1HG PRO 3 1HG PRO 6 5.378 15.685 -5.207 43 2HG PRO 3 2HG PRO 6 4.881 13.973 -5.185 44 1HD PRO 3 1HD PRO 6 3.451 15.865 -3.887 45 2HD PRO 3 2HD PRO 6 3.684 14.256 -3.144 46 H ALA 4 H ALA 7 5.922 17.436 -4.007 47 HA ALA 4 HA ALA 7 8.430 18.672 -4.016 48 1HB ALA 4 1HB ALA 7 6.628 19.203 -5.637 49 2HB ALA 4 2HB ALA 7 5.688 19.967 -4.333 50 3HB ALA 4 3HB ALA 7 7.233 20.675 -4.850 51 H GLU 5 H GLU 8 5.862 18.970 -1.820 52 HA GLU 5 HA GLU 8 6.885 21.224 -0.300 53 1HB GLU 5 1HB GLU 8 4.878 19.069 0.488 54 2HB GLU 5 2HB GLU 8 5.331 20.426 1.507 55 1HG GLU 5 1HG GLU 8 4.343 20.966 -1.315 56 2HG GLU 5 2HG GLU 8 3.202 20.628 -0.004 57 H LEU 6 H LEU 9 6.930 17.650 0.309 58 HA LEU 6 HA LEU 9 8.631 17.839 2.558 59 1HB LEU 6 1HB LEU 9 8.511 15.583 0.505 60 2HB LEU 6 2HB LEU 9 9.302 15.501 2.080 61 HG LEU 6 HG LEU 9 6.320 15.671 1.516 62 1HD1 LEU 6 2HD1 LEU 9 8.142 13.693 2.966 63 2HD1 LEU 6 3HD1 LEU 9 6.388 13.560 2.880 64 3HD1 LEU 6 1HD1 LEU 9 7.350 13.447 1.393 65 1HD2 LEU 6 1HD2 LEU 9 7.764 15.988 4.178 66 2HD2 LEU 6 2HD2 LEU 9 6.665 17.163 3.412 67 3HD2 LEU 6 3HD2 LEU 9 6.030 15.630 4.003 68 H LYS 7 H LYS 10 9.374 17.529 -0.742 69 HA LYS 7 HA LYS 10 12.210 17.423 -0.626 70 1HB LYS 7 1HB LYS 10 10.812 17.008 -2.661 71 2HB LYS 7 2HB LYS 10 10.595 18.759 -2.835 72 1HG LYS 7 1HG LYS 10 13.081 19.026 -2.957 73 2HG LYS 7 2HG LYS 10 13.269 17.272 -2.854 74 1HD LYS 7 1HD LYS 10 11.777 18.780 -5.058 75 2HD LYS 7 2HD LYS 10 13.437 18.173 -5.165 76 1HE LYS 7 1HE LYS 10 12.584 15.839 -4.785 77 2HE LYS 7 2HE LYS 10 10.923 16.467 -4.842 78 1HZ LYS 7 1HZ LYS 10 11.355 17.245 -7.050 79 2HZ LYS 7 2HZ LYS 10 12.892 16.652 -7.004 80 3HZ LYS 7 3HZ LYS 10 11.609 15.621 -6.939 81 H SER 8 H SER 11 9.972 20.255 -0.781 82 HA SER 8 HA SER 11 11.989 22.241 -0.723 83 1HB SER 8 1HB SER 11 9.170 22.418 0.426 84 2HB SER 8 2HB SER 11 10.271 23.762 0.121 85 HG SER 8 HG SER 11 9.299 21.939 -1.835 86 H ILE 9 H ILE 12 10.265 20.639 2.059 87 HA ILE 9 HA ILE 12 11.587 22.114 4.083 88 HB ILE 9 HB ILE 12 11.098 19.145 4.458 89 1HG1 ILE 9 1HG1 ILE 12 9.061 19.676 3.498 90 2HG1 ILE 9 2HG1 ILE 12 8.809 19.591 5.223 91 1HG2 ILE 9 1HG2 ILE 12 12.209 20.386 6.247 92 2HG2 ILE 9 2HG2 ILE 12 10.855 21.531 6.324 93 3HG2 ILE 9 3HG2 ILE 12 10.618 19.825 6.754 94 1HD1 ILE 9 2HD1 ILE 12 9.007 22.139 3.563 95 2HD1 ILE 9 3HD1 ILE 12 7.538 21.366 4.173 96 3HD1 ILE 9 1HD1 ILE 12 8.710 22.064 5.323 97 H PHE 10 H PHE 13 12.469 19.011 2.599 98 HA PHE 10 HA PHE 13 14.891 18.479 3.881 99 1HB PHE 10 1HB PHE 13 13.769 16.888 2.437 100 2HB PHE 10 2HB PHE 13 13.997 17.906 1.028 101 HD1 PHE 10 HD2 PHE 13 16.238 18.216 -0.017 102 HD2 PHE 10 HD1 PHE 13 15.583 15.474 3.249 103 HE1 PHE 10 HE2 PHE 13 18.479 17.269 -0.369 104 HE2 PHE 10 HE1 PHE 13 17.808 14.464 2.840 105 HZ PHE 10 HZ PHE 13 19.220 15.322 0.991 106 H GLU 11 H GLU 14 14.490 20.167 0.730 107 HA GLU 11 HA GLU 14 17.179 20.906 0.381 108 1HB GLU 11 1HB GLU 14 14.596 22.187 -0.594 109 2HB GLU 11 2HB GLU 14 16.200 22.722 -1.110 110 1HG GLU 11 1HG GLU 14 15.131 19.888 -1.502 111 2HG GLU 11 2HG GLU 14 15.146 21.156 -2.729 112 H LYS 12 H LYS 15 14.535 22.767 2.008 113 HA LYS 12 HA LYS 15 16.085 25.090 2.453 114 1HB LYS 12 1HB LYS 15 13.604 23.931 3.693 115 2HB LYS 12 2HB LYS 15 14.502 25.109 4.645 116 1HG LYS 12 1HG LYS 15 12.855 26.307 3.411 117 2HG LYS 12 2HG LYS 15 14.459 26.736 2.804 118 1HD LYS 12 1HD LYS 15 14.078 25.083 0.897 119 2HD LYS 12 2HD LYS 15 12.430 24.860 1.517 120 1HE LYS 12 1HE LYS 15 11.973 27.275 1.199 121 2HE LYS 12 2HE LYS 15 13.623 27.508 0.586 122 1HZ LYS 12 1HZ LYS 15 13.105 26.014 -1.199 123 2HZ LYS 12 2HZ LYS 15 11.572 25.797 -0.636 124 3HZ LYS 12 3HZ LYS 15 12.050 27.277 -1.176 125 OH TYR 13 OH TYR 16 12.055 21.176 9.270 126 H TYR 13 H TYR 16 15.880 22.100 4.459 127 HA TYR 13 HA TYR 16 17.681 23.235 6.472 128 1HB TYR 13 1HB TYR 16 16.808 20.417 5.872 129 2HB TYR 13 2HB TYR 16 17.878 20.844 7.214 130 HD1 TYR 13 HD2 TYR 16 15.156 23.255 6.712 131 HD2 TYR 13 HD1 TYR 16 16.177 19.477 8.646 132 HE1 TYR 13 HE2 TYR 16 12.953 23.150 7.774 133 HE2 TYR 13 HE1 TYR 16 13.977 19.318 9.453 134 HH TYR 13 HH TYR 16 11.924 20.389 9.802 135 H ALA 14 H ALA 17 18.033 20.694 3.982 136 HA ALA 14 HA ALA 17 20.703 20.078 4.226 137 1HB ALA 14 1HB ALA 17 19.062 18.836 2.849 138 2HB ALA 14 2HB ALA 17 19.016 20.174 1.675 139 3HB ALA 14 3HB ALA 17 20.475 19.204 1.899 140 H ALA 15 H ALA 18 19.263 22.826 2.427 141 HA ALA 15 HA ALA 18 21.654 23.679 1.127 142 1HB ALA 15 2HB ALA 18 19.188 25.262 1.944 143 2HB ALA 15 3HB ALA 18 20.449 25.813 0.822 144 3HB ALA 15 1HB ALA 18 19.446 24.414 0.399 145 H LYS 16 H LYS 19 20.320 24.478 4.380 146 HA LYS 16 HA LYS 19 22.434 26.483 4.763 147 1HB LYS 16 1HB LYS 19 21.487 26.949 6.898 148 2HB LYS 16 2HB LYS 19 20.334 27.134 5.567 149 1HG LYS 16 1HG LYS 19 19.230 25.125 6.102 150 2HG LYS 16 2HG LYS 19 20.505 24.609 7.216 151 1HD LYS 16 1HD LYS 19 19.943 26.395 8.790 152 2HD LYS 16 2HD LYS 19 18.770 27.080 7.650 153 1HE LYS 16 1HE LYS 19 17.673 25.781 9.458 154 2HE LYS 16 2HE LYS 19 17.332 25.117 7.854 155 1HZ LYS 16 2HZ LYS 19 19.356 24.093 9.732 156 2HZ LYS 16 3HZ LYS 19 17.874 23.422 9.454 157 3HZ LYS 16 1HZ LYS 19 19.001 23.455 8.254 158 H GLU 17 H GLU 20 21.805 23.144 5.810 159 HA GLU 17 HA GLU 20 24.470 23.165 7.201 160 1HB GLU 17 1HB GLU 20 21.789 22.104 8.113 161 2HB GLU 17 2HB GLU 20 23.322 21.550 8.826 162 1HG GLU 17 1HG GLU 20 23.811 23.831 9.579 163 2HG GLU 17 2HG GLU 20 22.374 24.450 8.752 164 H GLY 18 H GLY 21 25.589 21.211 7.225 165 1HA GLY 18 1HA GLY 21 26.236 19.133 6.522 166 2HA GLY 18 2HA GLY 21 24.591 18.804 5.966 167 H ASP 19 H ASP 22 23.945 19.697 3.847 168 HA ASP 19 HA ASP 22 25.669 20.879 1.973 169 1HB ASP 19 1HB ASP 22 27.050 18.889 1.955 170 2HB ASP 19 2HB ASP 22 25.639 17.835 2.031 171 HA PRO 20 HA PRO 23 21.586 21.385 0.344 172 1HB PRO 20 1HB PRO 23 22.055 21.266 -2.443 173 2HB PRO 20 2HB PRO 23 22.110 22.692 -1.373 174 1HG PRO 20 1HG PRO 23 24.393 20.917 -2.245 175 2HG PRO 20 2HG PRO 23 24.363 22.703 -2.131 176 1HD PRO 20 1HD PRO 23 25.533 21.291 -0.212 177 2HD PRO 20 2HD PRO 23 24.435 22.606 0.277 178 H ASN 21 H ASN 24 23.314 18.471 -0.775 179 HA ASN 21 HA ASN 24 20.688 17.273 -1.502 180 1HB ASN 21 1HB ASN 24 22.618 17.198 -3.113 181 2HB ASN 21 2HB ASN 24 23.495 16.202 -1.939 182 1HD2 ASN 21 1HD2 ASN 24 22.163 13.459 -3.802 183 2HD2 ASN 21 2HD2 ASN 24 23.601 14.390 -3.403 184 H GLN 22 H GLN 25 21.870 17.705 1.448 185 HA GLN 22 HA GLN 25 20.931 15.062 2.291 186 1HB GLN 22 1HB GLN 25 23.359 16.145 3.703 187 2HB GLN 22 2HB GLN 25 22.870 14.482 3.552 188 1HG GLN 22 1HG GLN 25 23.685 14.489 1.118 189 2HG GLN 22 2HG GLN 25 24.254 16.137 1.371 190 1HE2 GLN 22 1HE2 GLN 25 26.459 12.960 2.669 191 2HE2 GLN 22 2HE2 GLN 25 24.871 12.736 1.957 192 H LEU 23 H LEU 26 20.672 14.730 4.535 193 HA LEU 23 HA LEU 26 20.702 17.284 5.961 194 1HB LEU 23 1HB LEU 26 18.923 14.787 6.332 195 2HB LEU 23 2HB LEU 26 18.900 16.114 7.493 196 HG LEU 23 HG LEU 26 18.046 16.635 4.650 197 1HD1 LEU 23 2HD1 LEU 26 16.391 15.459 6.923 198 2HD1 LEU 23 3HD1 LEU 26 15.729 16.092 5.410 199 3HD1 LEU 23 1HD1 LEU 26 16.772 14.655 5.382 200 1HD2 LEU 23 2HD2 LEU 26 18.341 18.541 6.171 201 2HD2 LEU 23 3HD2 LEU 26 16.644 18.274 5.700 202 3HD2 LEU 23 1HD2 LEU 26 17.188 17.775 7.312 203 H SER 24 H SER 27 22.014 17.311 7.737 204 HA SER 24 HA SER 27 23.460 14.838 8.373 205 1HB SER 24 1HB SER 27 24.861 16.289 9.771 206 2HB SER 24 2HB SER 27 24.739 16.911 8.121 207 HG SER 24 HG SER 27 23.325 18.474 8.819 208 H LYS 25 H LYS 28 23.794 14.437 10.805 209 HA LYS 25 HA LYS 28 21.579 13.520 12.028 210 1HB LYS 25 1HB LYS 28 22.756 13.905 14.278 211 2HB LYS 25 2HB LYS 28 23.396 12.775 13.097 212 1HG LYS 25 1HG LYS 28 25.050 14.436 12.352 213 2HG LYS 25 2HG LYS 28 24.319 15.649 13.417 214 1HD LYS 25 1HD LYS 28 24.927 14.332 15.403 215 2HD LYS 25 2HD LYS 28 25.542 13.020 14.383 216 1HE LYS 25 1HE LYS 28 27.369 14.408 15.291 217 2HE LYS 25 2HE LYS 28 27.333 14.450 13.522 218 1HZ LYS 25 2HZ LYS 28 26.143 16.511 15.248 219 2HZ LYS 25 3HZ LYS 28 27.643 16.614 14.561 220 3HZ LYS 25 1HZ LYS 28 26.302 16.562 13.610 221 H GLU 26 H GLU 29 22.795 16.815 12.701 222 HA GLU 26 HA GLU 29 20.810 17.466 14.622 223 1HB GLU 26 1HB GLU 29 22.190 19.450 12.766 224 2HB GLU 26 2HB GLU 29 21.507 19.740 14.367 225 1HG GLU 26 1HG GLU 29 24.016 18.159 13.672 226 2HG GLU 26 2HG GLU 29 23.895 19.660 14.582 227 H GLU 27 H GLU 30 20.924 18.012 11.100 228 HA GLU 27 HA GLU 30 18.479 19.476 10.912 229 1HB GLU 27 1HB GLU 30 19.852 17.705 8.856 230 2HB GLU 27 2HB GLU 30 18.631 18.948 8.536 231 1HG GLU 27 1HG GLU 30 20.113 20.714 9.218 232 2HG GLU 27 2HG GLU 30 21.345 19.574 9.786 233 H LEU 28 H LEU 31 19.283 16.011 10.488 234 HA LEU 28 HA LEU 31 16.674 15.093 9.842 235 1HB LEU 28 1HB LEU 31 18.988 13.764 11.308 236 2HB LEU 28 2HB LEU 31 17.521 12.892 10.833 237 HG LEU 28 HG LEU 31 19.162 14.387 8.793 238 1HD1 LEU 28 1HD1 LEU 31 20.648 12.824 10.049 239 2HD1 LEU 28 2HD1 LEU 31 19.573 11.491 9.579 240 3HD1 LEU 28 3HD1 LEU 31 20.453 12.435 8.351 241 1HD2 LEU 28 2HD2 LEU 31 16.817 13.546 8.230 242 2HD2 LEU 28 3HD2 LEU 31 18.076 12.811 7.240 243 3HD2 LEU 28 1HD2 LEU 31 17.375 11.907 8.595 244 H LYS 29 H LYS 32 18.375 15.220 13.002 245 HA LYS 29 HA LYS 32 16.364 14.382 14.723 246 1HB LYS 29 1HB LYS 32 18.613 14.790 15.493 247 2HB LYS 29 2HB LYS 32 18.551 16.475 14.996 248 1HG LYS 29 1HG LYS 32 18.394 16.375 17.360 249 2HG LYS 29 2HG LYS 32 16.869 16.998 16.700 250 1HD LYS 29 1HD LYS 32 15.751 14.887 17.131 251 2HD LYS 29 2HD LYS 32 17.285 14.023 17.338 252 1HE LYS 29 1HE LYS 32 17.751 15.141 19.431 253 2HE LYS 29 2HE LYS 32 16.369 16.225 19.235 254 1HZ LYS 29 2HZ LYS 32 16.201 13.312 19.547 255 2HZ LYS 29 3HZ LYS 32 15.894 14.433 20.716 256 3HZ LYS 29 1HZ LYS 32 14.926 14.347 19.390 257 H GLN 30 H GLN 33 16.936 17.708 13.419 258 HA GLN 30 HA GLN 33 14.764 18.779 14.857 259 1HB GLN 30 1HB GLN 33 16.173 19.728 12.325 260 2HB GLN 30 2HB GLN 33 14.828 20.632 13.023 261 1HG GLN 30 1HG GLN 33 17.372 19.901 14.535 262 2HG GLN 30 2HG GLN 33 17.070 21.459 13.755 263 1HE2 GLN 30 1HE2 GLN 33 16.221 21.664 17.419 264 2HE2 GLN 30 2HE2 GLN 33 17.660 21.168 16.542 265 H LEU 31 H LEU 34 14.896 17.895 11.293 266 HA LEU 31 HA LEU 34 12.238 18.133 10.680 267 1HB LEU 31 1HB LEU 34 14.423 17.164 9.393 268 2HB LEU 31 2HB LEU 34 13.619 15.642 9.680 269 HG LEU 31 HG LEU 34 12.208 18.020 8.367 270 1HD1 LEU 31 2HD1 LEU 34 13.834 15.818 7.054 271 2HD1 LEU 31 3HD1 LEU 34 12.797 16.982 6.195 272 3HD1 LEU 31 1HD1 LEU 34 14.225 17.551 7.077 273 1HD2 LEU 31 1HD2 LEU 34 11.691 15.010 8.283 274 2HD2 LEU 31 2HD2 LEU 34 10.697 16.223 9.116 275 3HD2 LEU 31 3HD2 LEU 34 10.805 16.240 7.356 276 H ILE 32 H ILE 35 13.667 15.408 12.075 277 HA ILE 32 HA ILE 35 11.591 13.548 12.302 278 HB ILE 32 HB ILE 35 14.085 14.098 13.852 279 1HG1 ILE 32 1HG1 ILE 35 14.016 12.928 11.579 280 2HG1 ILE 32 2HG1 ILE 35 14.955 12.185 12.876 281 1HG2 ILE 32 2HG2 ILE 35 12.176 11.954 14.757 282 2HG2 ILE 32 3HG2 ILE 35 13.904 12.061 15.147 283 3HG2 ILE 32 1HG2 ILE 35 12.801 13.319 15.692 284 1HD1 ILE 32 2HD1 ILE 35 12.152 11.304 12.056 285 2HD1 ILE 32 3HD1 ILE 35 13.670 10.526 11.582 286 3HD1 ILE 32 1HD1 ILE 35 13.188 10.524 13.275 287 H GLN 33 H GLN 36 12.578 15.695 14.778 288 HA GLN 33 HA GLN 36 10.293 15.223 16.507 289 1HB GLN 33 1HB GLN 36 12.219 17.566 16.376 290 2HB GLN 33 2HB GLN 36 11.048 17.320 17.674 291 1HG GLN 33 1HG GLN 36 12.114 15.307 18.425 292 2HG GLN 33 2HG GLN 36 13.173 15.241 17.006 293 1HE2 GLN 33 1HE2 GLN 36 15.211 18.052 18.017 294 2HE2 GLN 33 2HE2 GLN 36 14.440 17.322 16.600 295 H ALA 34 H ALA 37 11.122 17.960 14.382 296 HA ALA 34 HA ALA 37 8.893 19.565 14.932 297 1HB ALA 34 1HB ALA 37 10.979 20.357 13.897 298 2HB ALA 34 2HB ALA 37 10.601 19.446 12.417 299 3HB ALA 34 3HB ALA 37 9.566 20.799 12.918 300 H GLU 35 H GLU 38 9.186 16.940 12.491 301 HA GLU 35 HA GLU 38 6.302 17.463 11.807 302 1HB GLU 35 1HB GLU 38 8.550 16.921 9.844 303 2HB GLU 35 2HB GLU 38 6.831 17.087 9.480 304 1HG GLU 35 1HG GLU 38 6.952 19.441 10.460 305 2HG GLU 35 2HG GLU 38 8.713 19.249 10.543 306 H PHE 36 H PHE 39 8.929 14.969 11.491 307 HA PHE 36 HA PHE 39 6.717 12.923 11.477 308 1HB PHE 36 1HB PHE 39 8.949 13.090 9.456 309 2HB PHE 36 2HB PHE 39 7.718 11.843 9.573 310 HD1 PHE 36 HD1 PHE 39 5.206 12.635 9.402 311 HD2 PHE 36 HD2 PHE 39 8.572 14.979 8.055 312 HE1 PHE 36 HE1 PHE 39 3.779 13.716 7.686 313 HE2 PHE 36 HE2 PHE 39 7.097 16.157 6.450 314 HZ PHE 36 HZ PHE 39 4.737 15.428 6.167 315 HA PRO 37 HA PRO 40 10.204 11.475 14.044 316 1HB PRO 37 1HB PRO 40 8.906 10.737 16.340 317 2HB PRO 37 2HB PRO 40 9.288 12.427 15.926 318 1HG PRO 37 1HG PRO 40 6.682 10.972 15.377 319 2HG PRO 37 2HG PRO 40 6.902 12.530 16.233 320 1HD PRO 37 1HD PRO 40 6.305 12.477 13.587 321 2HD PRO 37 2HD PRO 40 7.523 13.642 14.202 322 H SER 38 H SER 41 9.218 10.040 11.882 323 HA SER 38 HA SER 41 8.537 8.074 10.981 324 1HB SER 38 1HB SER 41 10.565 7.138 13.028 325 2HB SER 38 2HB SER 41 10.120 6.295 11.528 326 HG SER 38 HG SER 41 11.264 8.900 11.737 327 H LEU 39 H LEU 42 6.731 8.819 13.030 328 HA LEU 39 HA LEU 42 5.195 8.107 14.559 329 1HB LEU 39 1HB LEU 42 5.050 5.841 12.550 330 2HB LEU 39 2HB LEU 42 3.749 6.331 13.650 331 HG LEU 39 HG LEU 42 4.904 8.014 11.372 332 1HD1 LEU 39 1HD1 LEU 42 3.580 6.094 10.596 333 2HD1 LEU 39 2HD1 LEU 42 2.236 6.577 11.655 334 3HD1 LEU 39 3HD1 LEU 42 2.727 7.618 10.302 335 1HD2 LEU 39 1HD2 LEU 42 2.596 8.566 13.295 336 2HD2 LEU 39 2HD2 LEU 42 4.103 9.501 13.156 337 3HD2 LEU 39 3HD2 LEU 42 2.942 9.500 11.825 338 H LEU 40 H LEU 43 7.837 7.359 15.301 339 HA LEU 40 HA LEU 43 9.108 5.851 16.438 340 1HB LEU 40 1HB LEU 43 6.583 5.984 18.118 341 2HB LEU 40 2HB LEU 43 8.179 5.514 18.720 342 HG LEU 40 HG LEU 43 7.462 8.260 17.597 343 1HD1 LEU 40 1HD1 LEU 43 6.422 7.768 19.783 344 2HD1 LEU 40 2HD1 LEU 43 8.012 7.323 20.444 345 3HD1 LEU 40 3HD1 LEU 43 7.693 8.994 19.932 346 1HD2 LEU 40 1HD2 LEU 43 10.044 7.186 18.827 347 2HD2 LEU 40 2HD2 LEU 43 9.836 7.821 17.178 348 3HD2 LEU 40 3HD2 LEU 43 9.690 8.905 18.561 349 H LYS 41 H LYS 44 8.131 4.379 14.346 350 HA LYS 41 HA LYS 44 6.807 1.981 15.264 351 1HB LYS 41 1HB LYS 44 8.420 2.629 12.766 352 2HB LYS 41 2HB LYS 44 7.620 1.075 13.009 353 1HG LYS 41 1HG LYS 44 6.196 3.768 12.957 354 2HG LYS 41 2HG LYS 44 6.296 2.612 11.620 355 1HD LYS 41 1HD LYS 44 5.247 0.884 13.260 356 2HD LYS 41 2HD LYS 44 4.830 2.282 14.271 357 1HE LYS 41 1HE LYS 44 3.962 1.823 11.381 358 2HE LYS 41 2HE LYS 44 2.961 1.618 12.827 359 1HZ LYS 41 1HZ LYS 44 3.271 3.953 13.284 360 2HZ LYS 41 2HZ LYS 44 4.143 4.131 11.896 361 3HZ LYS 41 3HZ LYS 44 2.553 3.709 11.819 362 H GLY 42 H GLY 45 7.745 -0.238 15.051 363 1HA GLY 42 1HA GLY 45 9.192 -1.837 15.833 364 2HA GLY 42 2HA GLY 45 10.483 -0.793 15.223 365 HA PRO 43 HA PRO 46 10.958 -0.737 19.837 366 1HB PRO 43 1HB PRO 46 13.651 -0.671 20.027 367 2HB PRO 43 2HB PRO 46 12.802 -2.141 19.480 368 1HG PRO 43 1HG PRO 46 14.076 -0.009 17.736 369 2HG PRO 43 2HG PRO 46 14.332 -1.775 17.657 370 1HD PRO 43 1HD PRO 46 12.540 -0.454 16.061 371 2HD PRO 43 2HD PRO 46 12.227 -2.116 16.641 372 NH1 ARG 44 NH1 ARG 47 7.988 0.739 21.203 373 NH2 ARG 44 NH2 ARG 47 7.303 1.507 19.138 374 H ARG 44 H ARG 47 9.819 1.417 19.030 375 HA ARG 44 HA ARG 47 9.658 3.697 19.067 376 1HB ARG 44 1HB ARG 47 11.963 3.594 21.045 377 2HB ARG 44 2HB ARG 47 10.744 4.855 20.911 378 1HG ARG 44 1HG ARG 47 10.224 1.985 21.814 379 2HG ARG 44 2HG ARG 47 10.534 3.347 22.874 380 1HD ARG 44 1HD ARG 47 8.148 3.007 22.851 381 2HD ARG 44 2HD ARG 47 8.528 4.533 22.060 382 HE ARG 44 HE ARG 47 7.590 3.755 20.133 383 1HH1 ARG 44 1HH1 ARG 47 8.297 0.934 22.144 384 2HH1 ARG 44 2HH1 ARG 47 7.879 -0.216 20.896 385 1HH2 ARG 44 1HH2 ARG 47 7.160 2.287 18.499 386 2HH2 ARG 44 2HH2 ARG 47 7.502 0.597 18.731 387 H THR 45 H THR 48 10.890 3.026 16.764 388 HA THR 45 HA THR 48 13.508 3.960 16.519 389 HB THR 45 HB THR 48 11.424 3.529 14.353 No match found for entry HG1THR 45 390 1HG2 THR 45 2HG2 THR 48 14.385 4.132 14.420 391 2HG2 THR 45 3HG2 THR 48 13.709 3.035 13.166 392 3HG2 THR 45 1HG2 THR 48 13.159 4.715 13.325 393 H LEU 46 H LEU 49 13.340 6.039 17.600 394 HA LEU 46 HA LEU 49 12.394 8.228 15.822 395 1HB LEU 46 1HB LEU 49 12.333 8.486 18.268 396 2HB LEU 46 2HB LEU 49 14.092 8.355 18.350 397 HG LEU 46 HG LEU 49 13.058 10.344 16.364 398 1HD1 LEU 46 2HD1 LEU 49 12.666 10.815 19.341 399 2HD1 LEU 46 3HD1 LEU 49 12.514 12.043 18.067 400 3HD1 LEU 46 1HD1 LEU 49 11.389 10.678 18.110 401 1HD2 LEU 46 1HD2 LEU 49 15.096 10.544 18.642 402 2HD2 LEU 46 2HD2 LEU 49 15.496 10.164 16.957 403 3HD2 LEU 46 3HD2 LEU 49 14.843 11.754 17.374 404 H ASP 47 H ASP 50 15.201 6.170 16.447 405 HA ASP 47 HA ASP 50 16.603 7.532 14.282 406 1HB ASP 47 1HB ASP 50 17.390 8.507 16.488 407 2HB ASP 47 2HB ASP 50 17.779 6.863 17.031 408 H ASP 48 H ASP 51 16.127 4.372 15.667 409 HA ASP 48 HA ASP 51 18.373 3.063 14.761 410 1HB ASP 48 1HB ASP 51 16.569 1.870 15.852 411 2HB ASP 48 2HB ASP 51 15.498 2.104 14.467 412 H LEU 49 H LEU 52 15.560 3.738 12.580 413 HA LEU 49 HA LEU 52 16.904 2.831 10.242 414 1HB LEU 49 1HB LEU 52 15.126 3.832 8.964 415 2HB LEU 49 2HB LEU 52 14.531 2.950 10.365 416 HG LEU 49 HG LEU 52 14.563 5.396 11.492 417 1HD1 LEU 49 1HD1 LEU 52 15.458 6.533 9.369 418 2HD1 LEU 49 2HD1 LEU 52 13.982 6.017 8.559 419 3HD1 LEU 49 3HD1 LEU 52 13.900 7.128 9.945 420 1HD2 LEU 49 2HD2 LEU 52 12.577 3.877 11.165 421 2HD2 LEU 49 3HD2 LEU 52 12.220 5.596 10.932 422 3HD2 LEU 49 1HD2 LEU 52 12.406 4.534 9.528 423 H PHE 50 H PHE 53 16.724 6.043 11.721 424 HA PHE 50 HA PHE 53 17.916 7.641 9.735 425 1HB PHE 50 1HB PHE 53 16.829 8.293 11.908 426 2HB PHE 50 2HB PHE 53 18.293 7.791 12.748 427 HD1 PHE 50 HD2 PHE 53 20.547 9.026 11.375 428 HD2 PHE 50 HD1 PHE 53 16.641 10.462 12.540 429 HE1 PHE 50 HE2 PHE 53 21.574 10.936 12.493 430 HE2 PHE 50 HE1 PHE 53 17.697 12.358 13.690 431 HZ PHE 50 HZ PHE 53 20.165 12.565 13.746 432 H GLN 51 H GLN 54 19.387 5.726 12.388 433 HA GLN 51 HA GLN 54 22.074 6.235 11.637 434 1HB GLN 51 1HB GLN 54 21.343 5.476 13.893 435 2HB GLN 51 2HB GLN 54 20.874 3.908 13.218 436 1HG GLN 51 1HG GLN 54 23.256 3.483 12.591 437 2HG GLN 51 2HG GLN 54 23.694 5.075 13.233 438 1HE2 GLN 51 1HE2 GLN 54 22.512 2.163 15.940 439 2HE2 GLN 51 2HE2 GLN 54 21.741 2.218 14.363 440 H GLU 52 H GLU 55 19.871 3.446 10.862 441 HA GLU 52 HA GLU 55 21.784 1.981 9.362 442 1HB GLU 52 1HB GLU 55 18.785 2.265 8.937 443 2HB GLU 52 2HB GLU 55 19.804 1.108 8.077 444 1HG GLU 52 1HG GLU 55 20.446 -0.007 10.130 445 2HG GLU 52 2HG GLU 55 19.609 1.185 11.122 446 H LEU 53 H LEU 56 19.866 4.820 8.424 447 HA LEU 53 HA LEU 56 20.833 4.796 5.650 448 1HB LEU 53 1HB LEU 56 19.171 6.761 7.253 449 2HB LEU 53 2HB LEU 56 19.474 6.877 5.523 450 HG LEU 53 HG LEU 56 18.068 4.503 6.822 451 1HD1 LEU 53 1HD1 LEU 56 16.774 6.578 7.100 452 2HD1 LEU 53 2HD1 LEU 56 16.899 6.900 5.358 453 3HD1 LEU 53 3HD1 LEU 56 15.997 5.483 5.944 454 1HD2 LEU 53 1HD2 LEU 56 18.281 5.299 3.894 455 2HD2 LEU 53 2HD2 LEU 56 19.112 3.924 4.654 456 3HD2 LEU 53 3HD2 LEU 56 17.359 3.941 4.569 457 H ASP 54 H ASP 57 22.125 5.987 8.584 458 HA ASP 54 HA ASP 57 23.644 8.329 7.647 459 1HB ASP 54 1HB ASP 57 22.973 7.921 10.000 460 2HB ASP 54 2HB ASP 57 23.952 6.438 10.010 461 H LYS 55 H LYS 58 24.227 7.221 5.575 462 HA LYS 55 HA LYS 58 26.035 5.167 5.265 463 1HB LYS 55 1HB LYS 58 26.131 7.884 3.901 464 2HB LYS 55 2HB LYS 58 27.013 6.442 3.363 465 1HG LYS 55 1HG LYS 58 24.779 5.221 3.261 466 2HG LYS 55 2HG LYS 58 23.993 6.792 3.489 467 1HD LYS 55 1HD LYS 58 25.923 6.040 1.229 468 2HD LYS 55 2HD LYS 58 24.168 6.131 1.101 469 1HE LYS 55 1HE LYS 58 24.363 8.595 1.831 470 2HE LYS 55 2HE LYS 58 26.116 8.427 1.604 471 1HZ LYS 55 1HZ LYS 58 25.631 7.737 -0.674 472 2HZ LYS 55 2HZ LYS 58 24.029 8.056 -0.417 473 3HZ LYS 55 3HZ LYS 58 25.137 9.277 -0.356 474 H ASN 56 H ASN 59 27.010 8.444 6.417 475 HA ASN 56 HA ASN 59 29.812 7.635 6.385 476 1HB ASN 56 1HB ASN 59 30.423 9.749 6.808 477 2HB ASN 56 2HB ASN 59 28.918 9.986 5.920 478 1HD2 ASN 56 1HD2 ASN 59 29.089 12.282 8.940 479 2HD2 ASN 56 2HD2 ASN 59 30.081 12.027 7.508 480 H GLY 57 H GLY 60 27.433 6.794 8.566 481 1HA GLY 57 1HA GLY 60 27.502 5.907 10.649 482 2HA GLY 57 2HA GLY 60 29.246 5.705 10.434 483 H ASP 58 H ASP 61 27.881 8.925 10.283 484 HA ASP 58 HA ASP 61 28.662 9.548 13.101 485 1HB ASP 58 1HB ASP 61 30.438 10.614 12.253 486 2HB ASP 58 2HB ASP 61 29.848 10.569 10.605 487 H GLY 59 H GLY 62 26.829 10.588 10.183 488 1HA GLY 59 1HA GLY 62 24.312 10.770 11.188 489 2HA GLY 59 2HA GLY 62 25.067 12.242 11.827 490 H GLU 60 H GLU 63 24.695 10.436 8.773 491 HA GLU 60 HA GLU 63 24.410 12.976 7.222 492 1HB GLU 60 1HB GLU 63 26.748 12.073 7.299 493 2HB GLU 60 2HB GLU 63 26.099 10.527 6.654 494 1HG GLU 60 1HG GLU 63 25.449 11.718 4.564 495 2HG GLU 60 2HG GLU 63 25.835 13.289 5.290 496 H VAL 61 H VAL 64 22.224 12.658 6.446 497 HA VAL 61 HA VAL 64 21.835 10.099 4.905 498 HB VAL 61 HB VAL 64 19.715 11.570 6.468 499 1HG1 VAL 61 2HG1 VAL 64 19.747 8.973 4.905 500 2HG1 VAL 61 3HG1 VAL 64 18.417 9.484 5.963 501 3HG1 VAL 61 1HG1 VAL 64 18.821 10.438 4.515 502 1HG2 VAL 61 1HG2 VAL 64 21.095 8.901 7.028 503 2HG2 VAL 61 2HG2 VAL 64 21.299 10.346 8.018 504 3HG2 VAL 61 3HG2 VAL 64 19.723 9.550 7.939 505 H SER 62 H SER 65 22.487 10.765 3.031 506 HA SER 62 HA SER 65 21.918 13.200 1.747 507 1HB SER 62 1HB SER 65 22.306 10.480 0.500 508 2HB SER 62 2HB SER 65 22.787 12.057 -0.179 509 HG SER 62 HG SER 65 24.525 10.823 0.799 510 H PHE 63 H PHE 66 20.361 13.538 -0.059 511 HA PHE 63 HA PHE 66 17.721 12.986 0.500 512 1HB PHE 63 1HB PHE 66 18.473 14.603 -1.243 513 2HB PHE 63 2HB PHE 66 18.906 13.267 -2.289 514 HD1 PHE 63 HD2 PHE 66 16.022 14.790 -0.430 515 HD2 PHE 63 HD1 PHE 66 17.235 12.202 -3.665 516 HE1 PHE 63 HE2 PHE 66 13.659 14.548 -1.126 517 HE2 PHE 63 HE1 PHE 66 14.867 11.951 -4.345 518 HZ PHE 63 HZ PHE 66 13.075 13.117 -3.078 519 H GLU 64 H GLU 67 19.821 11.152 -1.661 520 HA GLU 64 HA GLU 67 18.136 9.258 -2.701 521 1HB GLU 64 1HB GLU 67 21.033 8.821 -1.847 522 2HB GLU 64 2HB GLU 67 20.096 7.817 -2.944 523 1HG GLU 64 1HG GLU 67 21.383 9.149 -4.367 524 2HG GLU 64 2HG GLU 67 19.778 9.880 -4.428 525 H GLU 65 H GLU 68 19.839 9.086 0.443 526 HA GLU 65 HA GLU 68 18.604 6.526 1.147 527 1HB GLU 65 1HB GLU 68 20.599 8.367 2.569 528 2HB GLU 65 2HB GLU 68 19.856 6.993 3.359 529 1HG GLU 65 1HG GLU 68 21.967 6.328 2.443 530 2HG GLU 65 2HG GLU 68 20.655 5.448 1.661 531 H PHE 66 H PHE 69 18.189 9.957 1.983 532 HA PHE 66 HA PHE 69 16.352 9.751 4.071 533 1HB PHE 66 1HB PHE 69 17.393 11.868 3.232 534 2HB PHE 66 2HB PHE 69 16.344 11.784 1.820 535 HD1 PHE 66 HD1 PHE 69 16.062 11.712 5.581 536 HD2 PHE 66 HD2 PHE 69 14.387 13.066 1.839 537 HE1 PHE 66 HE1 PHE 69 14.304 12.957 6.810 538 HE2 PHE 66 HE2 PHE 69 12.667 14.345 3.079 539 HZ PHE 66 HZ PHE 69 12.594 14.260 5.560 540 H GLN 67 H GLN 70 15.789 9.446 0.569 541 HA GLN 67 HA GLN 70 13.011 9.392 0.402 542 1HB GLN 67 1HB GLN 70 15.030 7.531 -0.888 543 2HB GLN 67 2HB GLN 70 13.332 7.598 -1.360 544 1HG GLN 67 1HG GLN 70 13.489 9.905 -2.055 545 2HG GLN 67 2HG GLN 70 15.157 10.031 -1.512 546 1HE2 GLN 67 1HE2 GLN 70 16.264 7.689 -4.197 547 2HE2 GLN 67 2HE2 GLN 70 16.382 7.713 -2.441 548 H VAL 68 H VAL 71 15.142 6.792 1.712 549 HA VAL 68 HA VAL 71 13.057 4.833 1.933 550 HB VAL 68 HB VAL 71 15.677 5.100 3.454 551 1HG1 VAL 68 2HG1 VAL 71 13.795 2.734 3.079 552 2HG1 VAL 68 3HG1 VAL 71 15.442 2.615 3.731 553 3HG1 VAL 68 1HG1 VAL 71 14.220 3.540 4.609 554 1HG2 VAL 68 1HG2 VAL 71 14.993 3.572 0.901 555 2HG2 VAL 68 2HG2 VAL 71 16.059 4.989 1.008 556 3HG2 VAL 68 3HG2 VAL 71 16.533 3.475 1.778 557 H LEU 69 H LEU 72 14.359 7.309 4.168 558 HA LEU 69 HA LEU 72 12.813 6.578 6.450 559 1HB LEU 69 1HB LEU 72 14.753 8.089 6.474 560 2HB LEU 69 2HB LEU 72 13.863 9.342 5.620 561 HG LEU 69 HG LEU 72 12.841 8.245 8.233 562 1HD1 LEU 69 1HD1 LEU 72 15.222 8.937 8.586 563 2HD1 LEU 69 2HD1 LEU 72 14.871 10.503 7.830 564 3HD1 LEU 69 3HD1 LEU 72 14.117 10.072 9.376 565 1HD2 LEU 69 1HD2 LEU 72 12.502 10.915 6.814 566 2HD2 LEU 69 2HD2 LEU 72 11.253 9.694 7.138 567 3HD2 LEU 69 3HD2 LEU 72 11.962 10.590 8.474 568 H VAL 70 H VAL 73 12.320 9.060 3.967 569 HA VAL 70 HA VAL 73 9.739 9.876 4.647 570 HB VAL 70 HB VAL 73 11.019 9.722 1.886 571 1HG1 VAL 70 2HG1 VAL 73 8.512 11.198 2.799 572 2HG1 VAL 70 3HG1 VAL 73 9.368 11.518 1.278 573 3HG1 VAL 70 1HG1 VAL 73 8.610 9.948 1.544 574 1HG2 VAL 70 2HG2 VAL 73 12.220 11.143 3.547 575 2HG2 VAL 70 3HG2 VAL 73 11.472 12.108 2.268 576 3HG2 VAL 70 1HG2 VAL 73 10.714 12.021 3.873 577 H LYS 71 H LYS 74 10.649 7.147 2.480 578 HA LYS 71 HA LYS 74 8.099 6.437 1.629 579 1HB LYS 71 1HB LYS 74 10.256 5.459 0.812 580 2HB LYS 71 2HB LYS 74 10.401 4.560 2.317 581 1HG LYS 71 1HG LYS 74 9.575 3.134 0.526 582 2HG LYS 71 2HG LYS 74 8.398 3.265 1.825 583 1HD LYS 71 1HD LYS 74 7.361 3.337 -0.423 584 2HD LYS 71 2HD LYS 74 6.992 4.762 0.537 585 1HE LYS 71 1HE LYS 74 7.493 5.330 -1.820 586 2HE LYS 71 2HE LYS 74 8.655 6.090 -0.730 587 1HZ LYS 71 2HZ LYS 74 9.103 3.620 -2.258 588 2HZ LYS 71 3HZ LYS 74 9.713 5.107 -2.618 589 3HZ LYS 71 1HZ LYS 74 10.192 4.333 -1.245 590 H LYS 72 H LYS 75 9.778 5.491 4.695 591 HA LYS 72 HA LYS 75 7.632 3.823 5.605 592 1HB LYS 72 1HB LYS 75 9.854 5.260 7.076 593 2HB LYS 72 2HB LYS 75 8.778 4.069 7.817 594 1HG LYS 72 1HG LYS 75 9.572 2.288 6.495 595 2HG LYS 72 2HG LYS 75 10.287 3.348 5.269 596 1HD LYS 72 1HD LYS 75 11.936 4.182 6.815 597 2HD LYS 72 2HD LYS 75 11.307 3.138 8.117 598 1HE LYS 72 1HE LYS 75 12.456 2.146 5.461 599 2HE LYS 72 2HE LYS 75 13.351 2.206 6.989 600 1HZ LYS 72 1HZ LYS 75 11.738 0.702 7.917 601 2HZ LYS 72 2HZ LYS 75 10.934 0.620 6.479 602 3HZ LYS 72 3HZ LYS 75 12.473 0.047 6.596 603 H ILE 73 H ILE 76 7.988 7.332 5.549 604 HA ILE 73 HA ILE 76 5.973 7.829 7.591 605 HB ILE 73 HB ILE 76 6.570 9.726 5.299 606 1HG1 ILE 73 1HG1 ILE 76 8.357 9.546 7.758 607 2HG1 ILE 73 2HG1 ILE 76 8.754 9.051 6.186 608 1HG2 ILE 73 1HG2 ILE 76 4.684 10.140 6.920 609 2HG2 ILE 73 2HG2 ILE 76 5.904 10.293 8.200 610 3HG2 ILE 73 3HG2 ILE 76 5.884 11.419 6.820 611 1HD1 ILE 73 1HD1 ILE 76 8.257 11.463 5.405 612 2HD1 ILE 73 2HD1 ILE 76 8.063 11.873 7.115 613 3HD1 ILE 73 3HD1 ILE 76 9.622 11.303 6.533 614 H SER 74 H SER 77 6.144 7.845 4.048 615 HA SER 74 HA SER 77 4.695 7.507 2.372 616 1HB SER 74 1HB SER 77 2.941 6.185 4.502 617 2HB SER 74 2HB SER 77 2.526 6.260 2.794 618 HG SER 74 HG SER 77 5.063 5.294 3.566 619 H GLN 75 H GLN 78 2.847 8.302 1.309 620 HA GLN 75 HA GLN 78 1.994 10.920 2.444 621 1HB GLN 75 1HB GLN 78 1.956 10.085 -0.467 622 2HB GLN 75 2HB GLN 78 1.855 11.709 0.230 623 1HG GLN 75 1HG GLN 78 4.264 9.829 0.157 624 2HG GLN 75 2HG GLN 78 4.091 11.388 -0.659 625 1HE2 GLN 75 1HE2 GLN 78 4.472 13.205 2.539 626 2HE2 GLN 75 2HE2 GLN 78 3.390 13.218 1.154 No H/Q in entry = 627 Start of MODEL 11 Raw file had 628 H/Q atoms Start of MODEL 11 1 1H SER -2 2H SER 1 -2.825 21.205 0.012 2 2H SER -2 3H SER 1 -1.423 21.849 0.699 3 3H SER -2 1H SER 1 -2.532 22.839 -0.097 4 HA SER -2 HA SER 1 -1.041 22.542 -1.742 5 1HB SER -2 1HB SER 1 -0.327 19.744 -0.818 6 2HB SER -2 2HB SER 1 0.712 20.995 -1.533 7 HG SER -2 HG SER 1 1.053 20.807 0.739 8 H ALA -1 H ALA 2 -0.943 20.929 -3.738 9 HA ALA -1 HA ALA 2 -3.635 19.824 -4.193 10 1HB ALA -1 1HB ALA 2 -2.402 21.212 -5.886 11 2HB ALA -1 2HB ALA 2 -1.183 19.925 -6.010 12 3HB ALA -1 3HB ALA 2 -2.870 19.622 -6.492 13 H GLN 0 H GLN 3 -2.398 17.679 -5.996 14 HA GLN 0 HA GLN 3 -2.439 15.510 -4.183 15 1HB GLN 0 1HB GLN 3 -1.189 15.753 -6.967 16 2HB GLN 0 2HB GLN 3 -1.330 14.256 -6.050 17 1HG GLN 0 1HG GLN 3 -3.133 14.212 -7.540 18 2HG GLN 0 2HG GLN 3 -3.829 14.577 -5.955 19 1HE2 GLN 0 1HE2 GLN 3 -5.637 16.863 -8.115 20 2HE2 GLN 0 2HE2 GLN 3 -5.663 15.204 -7.549 21 H LYS 1 H LYS 4 -0.940 14.867 -2.702 22 HA LYS 1 HA LYS 4 1.438 16.251 -2.220 23 1HB LYS 1 1HB LYS 4 0.671 13.395 -1.510 24 2HB LYS 1 2HB LYS 4 2.121 14.208 -0.905 25 1HG LYS 1 1HG LYS 4 -0.696 15.314 -0.465 26 2HG LYS 1 2HG LYS 4 0.115 14.204 0.651 27 1HD LYS 1 1HD LYS 4 2.003 15.813 0.893 28 2HD LYS 1 2HD LYS 4 1.150 16.960 -0.158 29 1HE LYS 1 1HE LYS 4 -0.714 17.100 1.421 30 2HE LYS 1 2HE LYS 4 0.053 15.896 2.476 31 1HZ LYS 1 2HZ LYS 4 1.217 18.507 1.790 32 2HZ LYS 1 3HZ LYS 4 0.451 18.136 3.205 33 3HZ LYS 1 1HZ LYS 4 1.861 17.386 2.806 34 H SER 2 H SER 5 3.316 16.313 -3.155 35 HA SER 2 HA SER 5 4.165 14.184 -5.056 36 1HB SER 2 1HB SER 5 4.316 17.219 -5.411 37 2HB SER 2 2HB SER 5 4.950 16.014 -6.545 38 HG SER 2 HG SER 5 2.207 16.271 -5.772 39 HA PRO 3 HA PRO 6 7.837 14.144 -2.639 40 1HB PRO 3 1HB PRO 6 9.864 13.977 -4.575 41 2HB PRO 3 2HB PRO 6 8.886 12.626 -3.942 42 1HG PRO 3 1HG PRO 6 8.418 14.233 -6.457 43 2HG PRO 3 2HG PRO 6 8.340 12.459 -6.252 44 1HD PRO 3 1HD PRO 6 6.092 13.915 -6.276 45 2HD PRO 3 2HD PRO 6 6.263 12.621 -5.056 46 H ALA 4 H ALA 7 7.861 16.428 -5.385 47 HA ALA 4 HA ALA 7 9.887 18.115 -4.642 48 1HB ALA 4 1HB ALA 7 8.618 18.308 -6.753 49 2HB ALA 4 2HB ALA 7 7.207 18.905 -5.846 50 3HB ALA 4 3HB ALA 7 8.698 19.869 -5.913 51 H GLU 5 H GLU 8 6.774 17.958 -3.298 52 HA GLU 5 HA GLU 8 6.758 20.425 -1.826 53 1HB GLU 5 1HB GLU 8 4.773 19.008 -2.376 54 2HB GLU 5 2HB GLU 8 5.267 17.848 -1.130 55 1HG GLU 5 1HG GLU 8 5.038 19.584 0.605 56 2HG GLU 5 2HG GLU 8 4.654 20.797 -0.630 57 H LEU 6 H LEU 9 7.516 17.065 -0.823 58 HA LEU 6 HA LEU 9 8.502 17.855 1.761 59 1HB LEU 6 1HB LEU 9 9.010 15.306 0.179 60 2HB LEU 6 2HB LEU 9 9.348 15.528 1.900 61 HG LEU 6 HG LEU 9 6.571 15.623 0.622 62 1HD1 LEU 6 1HD1 LEU 9 7.579 13.377 0.609 63 2HD1 LEU 6 2HD1 LEU 9 7.910 13.506 2.352 64 3HD1 LEU 6 3HD1 LEU 9 6.234 13.469 1.761 65 1HD2 LEU 6 1HD2 LEU 9 7.452 15.764 3.546 66 2HD2 LEU 6 2HD2 LEU 9 6.603 17.032 2.632 67 3HD2 LEU 6 3HD2 LEU 9 5.781 15.515 3.000 68 H LYS 7 H LYS 10 9.903 17.333 -1.280 69 HA LYS 7 HA LYS 10 12.639 17.420 -0.592 70 1HB LYS 7 1HB LYS 10 11.741 16.765 -2.837 71 2HB LYS 7 2HB LYS 10 11.554 18.497 -3.202 72 1HG LYS 7 1HG LYS 10 13.942 18.869 -2.901 73 2HG LYS 7 2HG LYS 10 14.171 17.211 -2.319 74 1HD LYS 7 1HD LYS 10 13.494 16.331 -4.542 75 2HD LYS 7 2HD LYS 10 13.220 17.987 -5.113 76 1HE LYS 7 1HE LYS 10 15.396 17.183 -5.891 77 2HE LYS 7 2HE LYS 10 15.622 18.521 -4.753 78 1HZ LYS 7 2HZ LYS 10 15.854 15.663 -4.085 79 2HZ LYS 7 3HZ LYS 10 17.116 16.688 -4.356 80 3HZ LYS 7 1HZ LYS 10 16.130 16.920 -3.060 81 H SER 8 H SER 11 10.340 20.085 -1.351 82 HA SER 8 HA SER 11 12.177 22.228 -1.221 83 1HB SER 8 1HB SER 11 9.262 22.193 -0.316 84 2HB SER 8 2HB SER 11 10.235 23.628 -0.678 85 HG SER 8 HG SER 11 9.628 21.529 -2.515 86 H ILE 9 H ILE 12 10.262 20.743 1.451 87 HA ILE 9 HA ILE 12 11.338 22.409 3.513 88 HB ILE 9 HB ILE 12 10.145 19.610 3.682 89 1HG1 ILE 9 1HG1 ILE 12 8.866 22.348 4.141 90 2HG1 ILE 9 2HG1 ILE 12 8.668 21.397 2.666 91 1HG2 ILE 9 2HG2 ILE 12 10.629 21.707 5.850 92 2HG2 ILE 9 3HG2 ILE 12 9.758 20.181 6.081 93 3HG2 ILE 9 1HG2 ILE 12 11.471 20.152 5.705 94 1HD1 ILE 9 1HD1 ILE 12 7.680 19.538 3.998 95 2HD1 ILE 9 2HD1 ILE 12 7.680 20.612 5.421 96 3HD1 ILE 9 3HD1 ILE 12 6.736 21.038 3.990 97 H PHE 10 H PHE 13 12.229 19.153 2.357 98 HA PHE 10 HA PHE 13 14.390 18.566 4.031 99 1HB PHE 10 1HB PHE 13 13.487 16.967 2.467 100 2HB PHE 10 2HB PHE 13 13.871 17.995 1.101 101 HD1 PHE 10 HD2 PHE 13 16.221 18.376 0.333 102 HD2 PHE 10 HD1 PHE 13 15.147 15.428 3.292 103 HE1 PHE 10 HE2 PHE 13 18.489 17.451 0.223 104 HE2 PHE 10 HE1 PHE 13 17.374 14.366 3.013 105 HZ PHE 10 HZ PHE 13 19.057 15.406 1.557 106 H GLU 11 H GLU 14 14.461 20.358 0.912 107 HA GLU 11 HA GLU 14 17.221 21.003 0.939 108 1HB GLU 11 1HB GLU 14 14.826 22.330 -0.389 109 2HB GLU 11 2HB GLU 14 16.493 22.876 -0.621 110 1HG GLU 11 1HG GLU 14 17.161 20.701 -1.517 111 2HG GLU 11 2HG GLU 14 15.557 20.037 -1.222 112 H LYS 12 H LYS 15 14.357 22.773 2.232 113 HA LYS 12 HA LYS 15 15.682 25.092 3.030 114 1HB LYS 12 1HB LYS 15 13.144 24.450 3.158 115 2HB LYS 12 2HB LYS 15 13.538 23.777 4.731 116 1HG LYS 12 1HG LYS 15 12.676 25.959 5.078 117 2HG LYS 12 2HG LYS 15 14.391 25.982 5.487 118 1HD LYS 12 1HD LYS 15 13.650 28.005 4.282 119 2HD LYS 12 2HD LYS 15 14.922 27.164 3.397 120 1HE LYS 12 1HE LYS 15 13.298 26.239 1.817 121 2HE LYS 12 2HE LYS 15 11.941 26.829 2.801 122 1HZ LYS 12 2HZ LYS 15 13.923 28.511 1.438 123 2HZ LYS 12 3HZ LYS 15 12.386 28.216 0.922 124 3HZ LYS 12 1HZ LYS 15 12.639 29.050 2.320 125 OH TYR 13 OH TYR 16 12.346 21.179 10.701 126 H TYR 13 H TYR 16 15.503 21.935 4.691 127 HA TYR 13 HA TYR 16 17.008 22.843 7.040 128 1HB TYR 13 1HB TYR 16 16.110 20.137 5.987 129 2HB TYR 13 2HB TYR 16 17.308 20.269 7.265 130 HD1 TYR 13 HD1 TYR 16 13.988 21.943 6.543 131 HD2 TYR 13 HD2 TYR 16 16.433 19.768 9.385 132 HE1 TYR 13 HE1 TYR 16 12.186 22.055 8.221 133 HE2 TYR 13 HE2 TYR 16 14.749 20.079 11.067 134 HH TYR 13 HH TYR 16 12.586 20.792 11.546 135 H ALA 14 H ALA 17 17.776 20.563 4.374 136 HA ALA 14 HA ALA 17 20.439 20.141 4.970 137 1HB ALA 14 2HB ALA 17 19.050 20.168 2.249 138 2HB ALA 14 3HB ALA 17 20.651 19.473 2.561 139 3HB ALA 14 1HB ALA 17 19.230 18.796 3.365 140 H ALA 15 H ALA 18 19.118 22.829 3.040 141 HA ALA 15 HA ALA 18 21.454 23.949 2.036 142 1HB ALA 15 2HB ALA 18 18.973 25.363 3.095 143 2HB ALA 15 3HB ALA 18 20.207 26.090 2.043 144 3HB ALA 15 1HB ALA 18 19.221 24.745 1.445 145 H LYS 16 H LYS 19 20.284 24.075 5.424 146 HA LYS 16 HA LYS 19 21.891 26.266 6.271 147 1HB LYS 16 1HB LYS 19 21.073 23.798 7.853 148 2HB LYS 16 2HB LYS 19 21.612 25.337 8.527 149 1HG LYS 16 1HG LYS 19 19.044 24.905 6.921 150 2HG LYS 16 2HG LYS 19 19.181 25.071 8.669 151 1HD LYS 16 1HD LYS 19 20.099 27.383 8.351 152 2HD LYS 16 2HD LYS 19 19.869 27.204 6.596 153 1HE LYS 16 1HE LYS 19 17.446 26.813 6.936 154 2HE LYS 16 2HE LYS 19 17.655 27.022 8.685 155 1HZ LYS 16 1HZ LYS 19 18.411 29.250 8.261 156 2HZ LYS 16 2HZ LYS 19 18.203 29.053 6.636 157 3HZ LYS 16 3HZ LYS 19 16.900 29.017 7.645 158 H GLU 17 H GLU 20 22.757 22.950 5.511 159 HA GLU 17 HA GLU 20 25.403 23.106 6.801 160 1HB GLU 17 1HB GLU 20 24.080 21.061 4.997 161 2HB GLU 17 2HB GLU 20 25.606 20.826 5.862 162 1HG GLU 17 1HG GLU 20 24.492 21.033 8.036 163 2HG GLU 17 2HG GLU 20 22.949 21.430 7.269 164 H GLY 18 H GLY 21 24.041 24.228 3.921 165 1HA GLY 18 1HA GLY 21 25.377 25.531 2.420 166 2HA GLY 18 2HA GLY 21 26.680 24.332 2.496 167 H ASP 19 H ASP 22 26.156 22.122 1.688 168 HA ASP 19 HA ASP 22 24.876 22.229 -0.882 169 1HB ASP 19 1HB ASP 22 25.880 19.876 0.766 170 2HB ASP 19 2HB ASP 22 25.314 19.770 -0.906 171 HA PRO 20 HA PRO 23 20.860 21.318 1.095 172 1HB PRO 20 1HB PRO 23 19.155 21.933 -0.897 173 2HB PRO 20 2HB PRO 23 20.152 23.180 -0.112 174 1HG PRO 20 1HG PRO 23 20.788 21.716 -2.689 175 2HG PRO 20 2HG PRO 23 20.728 23.485 -2.428 176 1HD PRO 20 1HD PRO 23 23.060 22.058 -2.270 177 2HD PRO 20 2HD PRO 23 22.742 23.465 -1.215 178 H ASN 21 H ASN 24 22.330 19.072 0.617 179 HA ASN 21 HA ASN 24 20.464 17.296 -0.886 180 1HB ASN 21 1HB ASN 24 22.493 17.815 -2.249 181 2HB ASN 21 2HB ASN 24 23.489 17.096 -0.971 182 1HD2 ASN 21 1HD2 ASN 24 23.205 14.014 -2.703 183 2HD2 ASN 21 2HD2 ASN 24 24.263 15.227 -2.008 184 H GLN 22 H GLN 25 21.756 17.831 2.195 185 HA GLN 22 HA GLN 25 20.789 15.183 2.970 186 1HB GLN 22 1HB GLN 25 23.345 16.121 4.276 187 2HB GLN 22 2HB GLN 25 22.691 14.518 4.173 188 1HG GLN 22 1HG GLN 25 23.398 14.516 1.657 189 2HG GLN 22 2HG GLN 25 24.323 15.971 2.048 190 1HE2 GLN 22 1HE2 GLN 25 26.595 14.094 4.239 191 2HE2 GLN 22 2HE2 GLN 25 25.756 15.643 4.185 192 H LEU 23 H LEU 26 20.517 14.938 5.212 193 HA LEU 23 HA LEU 26 20.874 17.445 6.629 194 1HB LEU 23 1HB LEU 26 19.131 15.100 7.613 195 2HB LEU 23 2HB LEU 26 19.201 16.722 8.274 196 HG LEU 23 HG LEU 26 18.337 17.337 5.787 197 1HD1 LEU 23 2HD1 LEU 26 17.215 14.553 6.428 198 2HD1 LEU 23 3HD1 LEU 26 16.608 15.631 5.169 199 3HD1 LEU 23 1HD1 LEU 26 18.253 14.963 5.051 200 1HD2 LEU 23 2HD2 LEU 26 17.226 17.963 7.924 201 2HD2 LEU 23 3HD2 LEU 26 16.062 17.432 6.704 202 3HD2 LEU 23 1HD2 LEU 26 16.532 16.334 8.021 203 H SER 24 H SER 27 22.148 17.462 8.429 204 HA SER 24 HA SER 27 23.975 15.260 8.873 205 1HB SER 24 1HB SER 27 24.779 16.797 10.679 206 2HB SER 24 2HB SER 27 24.558 17.685 9.165 207 HG SER 24 HG SER 27 23.290 18.916 10.406 208 H LYS 25 H LYS 28 24.117 14.434 11.304 209 HA LYS 25 HA LYS 28 21.705 13.254 12.139 210 1HB LYS 25 1HB LYS 28 24.045 12.684 12.884 211 2HB LYS 25 2HB LYS 28 23.995 14.088 13.964 212 1HG LYS 25 1HG LYS 28 22.104 13.065 15.200 213 2HG LYS 25 2HG LYS 28 22.008 11.763 14.003 214 1HD LYS 25 1HD LYS 28 23.121 10.935 15.976 215 2HD LYS 25 2HD LYS 28 24.260 10.970 14.622 216 1HE LYS 25 1HE LYS 28 25.292 13.036 15.500 217 2HE LYS 25 2HE LYS 28 24.087 13.104 16.804 218 1HZ LYS 25 1HZ LYS 28 24.960 11.026 17.604 219 2HZ LYS 25 2HZ LYS 28 26.072 10.980 16.387 220 3HZ LYS 25 3HZ LYS 28 26.145 12.168 17.526 221 H GLU 26 H GLU 29 23.084 16.416 13.009 222 HA GLU 26 HA GLU 29 21.172 17.147 14.997 223 1HB GLU 26 1HB GLU 29 22.854 18.889 13.134 224 2HB GLU 26 2HB GLU 29 21.988 19.448 14.570 225 1HG GLU 26 1HG GLU 29 23.349 17.954 16.001 226 2HG GLU 26 2HG GLU 29 24.233 17.369 14.583 227 H GLU 27 H GLU 30 21.342 17.956 11.463 228 HA GLU 27 HA GLU 30 18.827 19.387 11.553 229 1HB GLU 27 1HB GLU 30 20.596 18.406 9.343 230 2HB GLU 27 2HB GLU 30 18.968 18.999 8.996 231 1HG GLU 27 1HG GLU 30 20.596 20.802 8.751 232 2HG GLU 27 2HG GLU 30 19.407 21.147 10.005 233 H LEU 28 H LEU 31 19.608 15.964 10.866 234 HA LEU 28 HA LEU 31 16.980 15.280 10.014 235 1HB LEU 28 1HB LEU 31 17.759 13.214 9.750 236 2HB LEU 28 2HB LEU 31 19.313 13.980 10.054 237 HG LEU 28 HG LEU 31 19.092 13.245 12.477 238 1HD1 LEU 28 2HD1 LEU 31 16.959 11.406 11.280 239 2HD1 LEU 28 3HD1 LEU 31 17.703 11.243 12.885 240 3HD1 LEU 28 1HD1 LEU 31 16.654 12.596 12.549 241 1HD2 LEU 28 2HD2 LEU 31 20.478 12.178 10.607 242 2HD2 LEU 28 3HD2 LEU 31 20.084 11.228 12.044 243 3HD2 LEU 28 1HD2 LEU 31 19.187 10.966 10.527 244 H LYS 29 H LYS 32 18.570 15.107 13.197 245 HA LYS 29 HA LYS 32 16.445 14.139 14.743 246 1HB LYS 29 1HB LYS 32 18.639 14.489 15.719 247 2HB LYS 29 2HB LYS 32 18.615 16.204 15.331 248 1HG LYS 29 1HG LYS 32 18.306 15.925 17.671 249 2HG LYS 29 2HG LYS 32 16.842 16.636 16.967 250 1HD LYS 29 1HD LYS 32 15.598 14.620 17.292 251 2HD LYS 29 2HD LYS 32 17.053 13.618 17.265 252 1HE LYS 29 1HE LYS 32 16.076 13.710 19.525 253 2HE LYS 29 2HE LYS 32 17.730 14.334 19.470 254 1HZ LYS 29 1HZ LYS 32 16.794 16.555 19.423 255 2HZ LYS 29 2HZ LYS 32 15.269 15.940 19.580 256 3HZ LYS 29 3HZ LYS 32 16.370 15.727 20.780 257 H GLN 30 H GLN 33 17.149 17.556 13.859 258 HA GLN 30 HA GLN 33 14.878 18.593 15.170 259 1HB GLN 30 1HB GLN 33 16.512 19.603 12.816 260 2HB GLN 30 2HB GLN 33 15.173 20.545 13.489 261 1HG GLN 30 1HG GLN 33 16.223 20.810 15.592 262 2HG GLN 30 2HG GLN 33 17.397 19.523 15.286 263 1HE2 GLN 30 1HE2 GLN 33 19.632 21.444 13.303 264 2HE2 GLN 30 2HE2 GLN 33 19.038 19.841 13.716 265 H LEU 31 H LEU 34 15.359 17.708 11.689 266 HA LEU 31 HA LEU 34 12.868 18.215 10.676 267 1HB LEU 31 1HB LEU 34 14.943 17.498 9.471 268 2HB LEU 31 2HB LEU 34 14.628 15.842 9.968 269 HG LEU 31 HG LEU 34 14.076 16.238 7.670 270 1HD1 LEU 31 1HD1 LEU 34 12.728 14.580 9.024 271 2HD1 LEU 31 2HD1 LEU 34 11.421 15.791 9.043 272 3HD1 LEU 31 3HD1 LEU 34 12.005 15.154 7.513 273 1HD2 LEU 31 2HD2 LEU 34 13.510 18.624 7.794 274 2HD2 LEU 31 3HD2 LEU 34 12.303 17.690 6.905 275 3HD2 LEU 31 1HD2 LEU 34 11.959 18.225 8.562 276 H ILE 32 H ILE 35 13.854 15.255 12.067 277 HA ILE 32 HA ILE 35 11.498 13.722 11.844 278 HB ILE 32 HB ILE 35 13.552 13.709 14.074 279 1HG1 ILE 32 1HG1 ILE 35 14.278 12.974 11.762 280 2HG1 ILE 32 2HG1 ILE 35 14.532 11.844 13.091 281 1HG2 ILE 32 2HG2 ILE 35 11.189 11.829 13.682 282 2HG2 ILE 32 3HG2 ILE 35 12.608 11.447 14.679 283 3HG2 ILE 32 1HG2 ILE 35 11.564 12.795 15.114 284 1HD1 ILE 32 2HD1 ILE 35 12.235 11.678 11.083 285 2HD1 ILE 32 3HD1 ILE 35 13.737 10.738 11.030 286 3HD1 ILE 32 1HD1 ILE 35 12.603 10.496 12.361 287 H GLN 33 H GLN 36 12.469 15.535 14.557 288 HA GLN 33 HA GLN 36 10.109 15.274 16.097 289 1HB GLN 33 1HB GLN 36 12.170 17.496 16.078 290 2HB GLN 33 2HB GLN 36 10.892 17.370 17.294 291 1HG GLN 33 1HG GLN 36 11.701 15.263 18.117 292 2HG GLN 33 2HG GLN 36 12.855 15.091 16.785 293 1HE2 GLN 33 1HE2 GLN 36 15.073 17.685 18.000 294 2HE2 GLN 33 2HE2 GLN 36 14.358 17.036 16.515 295 H ALA 34 H ALA 37 11.081 17.831 13.762 296 HA ALA 34 HA ALA 37 8.817 19.511 14.169 297 1HB ALA 34 1HB ALA 37 10.909 20.290 13.175 298 2HB ALA 34 2HB ALA 37 10.650 19.254 11.754 299 3HB ALA 34 3HB ALA 37 9.540 20.599 12.087 300 H GLU 35 H GLU 38 9.465 17.255 11.415 301 HA GLU 35 HA GLU 38 6.728 17.660 10.436 302 1HB GLU 35 1HB GLU 38 8.970 15.869 9.424 303 2HB GLU 35 2HB GLU 38 7.397 16.117 8.659 304 1HG GLU 35 1HG GLU 38 7.925 18.596 8.539 305 2HG GLU 35 2HG GLU 38 9.586 18.187 8.999 306 H PHE 36 H PHE 39 8.541 14.931 11.954 307 HA PHE 36 HA PHE 39 5.966 13.398 12.005 308 1HB PHE 36 1HB PHE 39 8.674 12.159 11.559 309 2HB PHE 36 2HB PHE 39 7.075 11.458 11.302 310 HD1 PHE 36 HD2 PHE 39 5.596 12.998 9.528 311 HD2 PHE 36 HD1 PHE 39 9.900 12.691 9.648 312 HE1 PHE 36 HE2 PHE 39 5.729 13.847 7.207 313 HE2 PHE 36 HE1 PHE 39 10.019 13.521 7.319 314 HZ PHE 36 HZ PHE 39 7.942 14.131 6.104 315 HA PRO 37 HA PRO 40 7.888 13.463 16.226 316 1HB PRO 37 1HB PRO 40 5.902 14.708 17.675 317 2HB PRO 37 2HB PRO 40 7.155 15.587 16.778 318 1HG PRO 37 1HG PRO 40 4.360 14.890 15.822 319 2HG PRO 37 2HG PRO 40 5.160 16.492 15.786 320 1HD PRO 37 1HD PRO 40 5.150 14.897 13.591 321 2HD PRO 37 2HD PRO 40 6.626 15.811 14.045 322 H SER 38 H SER 41 7.201 11.255 15.287 323 HA SER 38 HA SER 41 5.354 9.824 17.031 324 1HB SER 38 1HB SER 41 4.180 8.844 15.008 325 2HB SER 38 2HB SER 41 3.810 10.550 15.366 326 HG SER 38 HG SER 41 5.218 11.175 13.752 327 H LEU 39 H LEU 42 7.852 9.919 14.490 328 HA LEU 39 HA LEU 42 8.297 7.072 14.408 329 1HB LEU 39 1HB LEU 42 10.107 9.330 13.498 330 2HB LEU 39 2HB LEU 42 10.145 7.644 12.973 331 HG LEU 39 HG LEU 42 7.928 9.649 12.407 332 1HD1 LEU 39 1HD1 LEU 42 10.026 9.984 11.120 333 2HD1 LEU 39 2HD1 LEU 42 9.933 8.302 10.553 334 3HD1 LEU 39 3HD1 LEU 42 8.680 9.471 10.087 335 1HD2 LEU 39 1HD2 LEU 42 8.170 6.739 11.527 336 2HD2 LEU 39 2HD2 LEU 42 6.949 7.405 12.637 337 3HD2 LEU 39 3HD2 LEU 42 6.964 7.913 10.953 338 H LEU 40 H LEU 43 8.348 8.043 17.096 339 HA LEU 40 HA LEU 43 11.170 7.549 17.966 340 1HB LEU 40 1HB LEU 43 8.814 8.688 19.548 341 2HB LEU 40 2HB LEU 43 10.490 8.514 20.069 342 HG LEU 40 HG LEU 43 10.800 10.020 17.776 343 1HD1 LEU 40 1HD1 LEU 43 8.358 10.283 17.488 344 2HD1 LEU 40 2HD1 LEU 43 8.240 11.008 19.102 345 3HD1 LEU 40 3HD1 LEU 43 9.151 11.829 17.819 346 1HD2 LEU 40 2HD2 LEU 43 11.822 10.463 20.009 347 2HD2 LEU 40 3HD2 LEU 43 11.137 11.937 19.302 348 3HD2 LEU 40 1HD2 LEU 43 10.264 11.082 20.591 349 H LYS 41 H LYS 44 10.175 5.346 16.963 350 HA LYS 41 HA LYS 44 9.381 3.649 19.215 351 1HB LYS 41 1HB LYS 44 7.397 2.796 17.988 352 2HB LYS 41 2HB LYS 44 7.260 4.495 18.452 353 1HG LYS 41 1HG LYS 44 7.928 5.168 16.127 354 2HG LYS 41 2HG LYS 44 7.924 3.454 15.659 355 1HD LYS 41 1HD LYS 44 5.525 3.318 16.288 356 2HD LYS 41 2HD LYS 44 5.580 5.010 16.837 357 1HE LYS 41 1HE LYS 44 6.199 5.738 14.534 358 2HE LYS 41 2HE LYS 44 6.071 4.062 13.973 359 1HZ LYS 41 2HZ LYS 44 3.896 5.628 15.176 360 2HZ LYS 41 3HZ LYS 44 4.133 5.405 13.559 361 3HZ LYS 41 1HZ LYS 44 3.766 4.113 14.529 362 H GLY 42 H GLY 45 9.045 1.326 18.184 363 1HA GLY 42 1HA GLY 45 9.886 -0.420 16.928 364 2HA GLY 42 2HA GLY 45 10.738 0.733 15.877 365 HA PRO 43 HA PRO 46 13.791 -1.482 18.701 366 1HB PRO 43 1HB PRO 46 15.339 -1.329 16.109 367 2HB PRO 43 2HB PRO 46 15.286 -2.666 17.292 368 1HG PRO 43 1HG PRO 46 13.896 -2.847 14.967 369 2HG PRO 43 2HG PRO 46 13.119 -3.348 16.502 370 1HD PRO 43 1HD PRO 46 12.830 -0.695 15.052 371 2HD PRO 43 2HD PRO 46 11.551 -1.758 15.713 372 NH1 ARG 44 NH2 ARG 47 22.264 2.409 16.939 373 NH2 ARG 44 NH1 ARG 47 23.063 3.998 18.406 374 H ARG 44 H ARG 47 15.275 -0.182 19.859 375 HA ARG 44 HA ARG 47 16.391 1.671 20.503 376 1HB ARG 44 1HB ARG 47 17.803 0.682 18.670 377 2HB ARG 44 2HB ARG 47 17.227 1.933 17.590 378 1HG ARG 44 1HG ARG 47 18.258 3.660 19.065 379 2HG ARG 44 2HG ARG 47 18.761 2.373 20.190 380 1HD ARG 44 1HD ARG 47 20.023 1.266 18.335 381 2HD ARG 44 2HD ARG 47 19.553 2.597 17.252 382 HE ARG 44 HE ARG 47 20.851 3.657 19.563 383 1HH1 ARG 44 1HH2 ARG 47 21.551 1.758 16.652 384 2HH1 ARG 44 2HH2 ARG 47 23.048 2.605 16.321 385 1HH2 ARG 44 1HH1 ARG 47 22.935 4.593 19.211 386 2HH2 ARG 44 2HH1 ARG 47 23.901 4.080 17.847 387 H THR 45 H THR 48 16.184 3.768 17.689 388 HA THR 45 HA THR 48 13.520 4.414 17.991 389 HB THR 45 HB THR 48 14.390 5.417 20.243 No match found for entry HG1THR 45 390 1HG2 THR 45 2HG2 THR 48 16.253 7.081 18.462 391 2HG2 THR 45 3HG2 THR 48 15.972 7.306 20.191 392 3HG2 THR 45 1HG2 THR 48 16.700 5.812 19.594 393 H LEU 46 H LEU 49 13.899 7.414 17.480 394 HA LEU 46 HA LEU 49 13.768 7.312 14.684 395 1HB LEU 46 1HB LEU 49 14.374 9.664 14.605 396 2HB LEU 46 2HB LEU 49 12.968 9.239 15.602 397 HG LEU 46 HG LEU 49 15.228 9.136 17.223 398 1HD1 LEU 46 1HD1 LEU 49 16.397 10.602 15.596 399 2HD1 LEU 46 2HD1 LEU 49 15.092 11.802 15.754 400 3HD1 LEU 46 3HD1 LEU 49 16.137 11.428 17.143 401 1HD2 LEU 46 2HD2 LEU 49 13.035 9.620 18.056 402 2HD2 LEU 46 3HD2 LEU 49 14.125 10.934 18.526 403 3HD2 LEU 46 1HD2 LEU 49 12.987 11.175 17.181 404 H ASP 47 H ASP 50 16.346 7.711 16.794 405 HA ASP 47 HA ASP 50 18.629 8.062 15.460 406 1HB ASP 47 1HB ASP 50 18.399 7.906 17.901 407 2HB ASP 47 2HB ASP 50 18.317 6.134 17.769 408 H ASP 48 H ASP 51 16.776 5.066 15.808 409 HA ASP 48 HA ASP 51 18.551 3.135 14.742 410 1HB ASP 48 1HB ASP 51 16.139 2.919 16.017 411 2HB ASP 48 2HB ASP 51 15.487 3.032 14.443 412 H LEU 49 H LEU 52 15.784 4.828 13.347 413 HA LEU 49 HA LEU 52 16.003 3.991 10.663 414 1HB LEU 49 1HB LEU 52 15.108 6.818 11.227 415 2HB LEU 49 2HB LEU 52 14.471 5.639 10.084 416 HG LEU 49 HG LEU 52 14.162 5.683 13.095 417 1HD1 LEU 49 1HD1 LEU 52 12.837 7.389 11.960 418 2HD1 LEU 49 2HD1 LEU 52 12.134 6.163 10.880 419 3HD1 LEU 49 3HD1 LEU 52 11.791 6.117 12.623 420 1HD2 LEU 49 2HD2 LEU 52 14.147 3.298 12.255 421 2HD2 LEU 49 3HD2 LEU 52 12.537 3.793 12.789 422 3HD2 LEU 49 1HD2 LEU 52 12.924 3.749 11.056 423 H PHE 50 H PHE 53 17.150 6.885 12.283 424 HA PHE 50 HA PHE 53 18.643 8.224 10.360 425 1HB PHE 50 1HB PHE 53 18.714 9.289 12.432 426 2HB PHE 50 2HB PHE 53 18.950 7.821 13.273 427 HD1 PHE 50 HD2 PHE 53 21.095 9.303 10.539 428 HD2 PHE 50 HD1 PHE 53 20.818 8.043 14.654 429 HE1 PHE 50 HE2 PHE 53 23.534 9.401 10.744 430 HE2 PHE 50 HE1 PHE 53 23.264 8.195 14.870 431 HZ PHE 50 HZ PHE 53 24.650 8.802 12.895 432 H GLN 51 H GLN 54 20.021 5.573 12.423 433 HA GLN 51 HA GLN 54 22.382 5.512 10.813 434 1HB GLN 51 1HB GLN 54 21.180 3.733 12.959 435 2HB GLN 51 2HB GLN 54 22.550 3.104 12.029 436 1HG GLN 51 1HG GLN 54 24.062 4.645 12.820 437 2HG GLN 51 2HG GLN 54 22.846 5.902 13.045 438 1HE2 GLN 51 1HE2 GLN 54 21.766 4.869 16.293 439 2HE2 GLN 51 2HE2 GLN 54 21.167 5.485 14.768 440 H GLU 52 H GLU 55 19.413 3.508 10.603 441 HA GLU 52 HA GLU 55 20.402 1.754 8.583 442 1HB GLU 52 1HB GLU 55 17.598 2.860 9.035 443 2HB GLU 52 2HB GLU 55 17.989 1.561 7.902 444 1HG GLU 52 1HG GLU 55 18.799 0.129 9.693 445 2HG GLU 52 2HG GLU 55 18.587 1.406 10.893 446 H LEU 53 H LEU 56 19.144 5.047 8.399 447 HA LEU 53 HA LEU 56 19.088 5.264 5.505 448 1HB LEU 53 1HB LEU 56 19.003 7.327 7.708 449 2HB LEU 53 2HB LEU 56 18.734 7.631 5.992 450 HG LEU 53 HG LEU 56 17.036 5.550 7.376 451 1HD1 LEU 53 1HD1 LEU 56 16.948 7.631 8.786 452 2HD1 LEU 53 2HD1 LEU 56 16.436 8.535 7.359 453 3HD1 LEU 53 3HD1 LEU 56 15.420 7.222 8.002 454 1HD2 LEU 53 2HD2 LEU 56 16.956 5.805 4.902 455 2HD2 LEU 53 3HD2 LEU 56 15.420 6.187 5.698 456 3HD2 LEU 53 1HD2 LEU 56 16.466 7.501 5.119 457 H ASP 54 H ASP 57 21.352 6.413 8.028 458 HA ASP 54 HA ASP 57 23.267 7.722 6.302 459 1HB ASP 54 1HB ASP 57 22.928 8.013 8.771 460 2HB ASP 54 2HB ASP 57 23.702 6.458 9.029 461 H LYS 55 H LYS 58 23.450 5.978 4.546 462 HA LYS 55 HA LYS 58 24.596 3.432 5.008 463 1HB LYS 55 1HB LYS 58 24.970 5.319 2.653 464 2HB LYS 55 2HB LYS 58 25.455 3.618 2.676 465 1HG LYS 55 1HG LYS 58 23.198 2.838 2.877 466 2HG LYS 55 2HG LYS 58 22.580 4.445 3.245 467 1HD LYS 55 1HD LYS 58 22.012 3.879 0.966 468 2HD LYS 55 2HD LYS 58 23.134 5.245 0.988 469 1HE LYS 55 1HE LYS 58 25.012 3.744 0.398 470 2HE LYS 55 2HE LYS 58 23.924 2.342 0.455 471 1HZ LYS 55 2HZ LYS 58 23.695 4.626 -1.380 472 2HZ LYS 55 3HZ LYS 58 24.277 3.134 -1.763 473 3HZ LYS 55 1HZ LYS 58 22.695 3.318 -1.345 474 H ASN 56 H ASN 59 26.105 6.603 5.188 475 HA ASN 56 HA ASN 59 28.832 5.623 4.984 476 1HB ASN 56 1HB ASN 59 27.797 7.995 4.460 477 2HB ASN 56 2HB ASN 59 28.083 8.294 6.175 478 1HD2 ASN 56 1HD2 ASN 59 31.764 7.900 5.612 479 2HD2 ASN 56 2HD2 ASN 59 30.580 7.168 6.689 480 H GLY 57 H GLY 60 26.477 5.636 7.532 481 1HA GLY 57 1HA GLY 60 26.582 5.219 9.767 482 2HA GLY 57 2HA GLY 60 28.068 4.330 9.406 483 H ASP 58 H ASP 61 26.998 7.774 9.665 484 HA ASP 58 HA ASP 61 29.165 8.340 11.608 485 1HB ASP 58 1HB ASP 61 30.265 8.832 9.539 486 2HB ASP 58 2HB ASP 61 28.855 9.657 8.876 487 H GLY 59 H GLY 62 27.180 10.598 9.722 488 1HA GLY 59 1HA GLY 62 25.061 10.892 11.662 489 2HA GLY 59 2HA GLY 62 26.286 12.160 11.814 490 H GLU 60 H GLU 63 24.913 10.371 9.017 491 HA GLU 60 HA GLU 63 24.196 12.953 7.654 492 1HB GLU 60 1HB GLU 63 25.381 10.414 6.419 493 2HB GLU 60 2HB GLU 63 25.073 11.956 5.613 494 1HG GLU 60 1HG GLU 63 26.727 13.078 7.197 495 2HG GLU 60 2HG GLU 63 27.214 11.459 7.730 496 H VAL 61 H VAL 64 22.287 12.891 6.451 497 HA VAL 61 HA VAL 64 21.373 10.302 5.432 498 HB VAL 61 HB VAL 64 19.446 12.055 7.020 499 1HG1 VAL 61 2HG1 VAL 64 19.184 9.565 5.312 500 2HG1 VAL 61 3HG1 VAL 64 17.950 10.024 6.503 501 3HG1 VAL 61 1HG1 VAL 64 18.301 11.093 5.127 502 1HG2 VAL 61 1HG2 VAL 64 20.539 9.257 7.582 503 2HG2 VAL 61 2HG2 VAL 64 20.792 10.719 8.567 504 3HG2 VAL 61 3HG2 VAL 64 19.181 10.008 8.434 505 H SER 62 H SER 65 21.804 10.765 3.446 506 HA SER 62 HA SER 65 21.541 13.345 2.228 507 1HB SER 62 1HB SER 65 22.335 12.240 0.243 508 2HB SER 62 2HB SER 65 23.227 11.608 1.647 509 HG SER 62 HG SER 65 21.914 9.814 1.649 510 H PHE 63 H PHE 66 20.263 13.657 0.134 511 HA PHE 63 HA PHE 66 17.500 13.320 0.570 512 1HB PHE 63 1HB PHE 66 18.434 14.976 -1.015 513 2HB PHE 63 2HB PHE 66 18.925 13.683 -2.096 514 HD1 PHE 63 HD2 PHE 66 15.909 15.101 -0.350 515 HD2 PHE 63 HD1 PHE 66 17.351 12.759 -3.674 516 HE1 PHE 63 HE2 PHE 66 13.594 14.863 -1.191 517 HE2 PHE 63 HE1 PHE 66 15.031 12.508 -4.497 518 HZ PHE 63 HZ PHE 66 13.149 13.568 -3.268 519 H GLU 64 H GLU 67 19.636 11.381 -1.571 520 HA GLU 64 HA GLU 67 17.681 9.659 -2.530 521 1HB GLU 64 1HB GLU 67 19.501 8.018 -2.933 522 2HB GLU 64 2HB GLU 67 19.785 9.636 -3.579 523 1HG GLU 64 1HG GLU 67 21.335 10.147 -1.726 524 2HG GLU 64 2HG GLU 67 21.005 8.567 -0.999 525 H GLU 65 H GLU 68 19.537 9.377 0.492 526 HA GLU 65 HA GLU 68 18.391 6.862 1.327 527 1HB GLU 65 1HB GLU 68 19.768 9.106 2.845 528 2HB GLU 65 2HB GLU 68 19.351 7.543 3.556 529 1HG GLU 65 1HG GLU 68 20.843 6.328 2.178 530 2HG GLU 65 2HG GLU 68 21.087 7.668 1.062 531 H PHE 66 H PHE 69 17.692 10.276 2.097 532 HA PHE 66 HA PHE 69 15.705 10.064 3.997 533 1HB PHE 66 1HB PHE 69 16.792 12.133 3.224 534 2HB PHE 66 2HB PHE 69 15.868 12.073 1.728 535 HD1 PHE 66 HD2 PHE 69 15.627 12.580 5.401 536 HD2 PHE 66 HD1 PHE 69 13.601 12.861 1.600 537 HE1 PHE 66 HE2 PHE 69 13.914 14.049 6.417 538 HE2 PHE 66 HE1 PHE 69 11.886 14.329 2.628 539 HZ PHE 66 HZ PHE 69 12.041 14.937 5.032 540 H GLN 67 H GLN 70 15.342 9.618 0.477 541 HA GLN 67 HA GLN 70 12.546 9.598 0.232 542 1HB GLN 67 1HB GLN 70 14.544 7.667 -1.000 543 2HB GLN 67 2HB GLN 70 12.883 7.890 -1.557 544 1HG GLN 67 1HG GLN 70 13.299 10.208 -2.170 545 2HG GLN 67 2HG GLN 70 14.941 10.142 -1.534 546 1HE2 GLN 67 1HE2 GLN 70 16.058 7.849 -4.190 547 2HE2 GLN 67 2HE2 GLN 70 16.101 7.906 -2.427 548 H VAL 68 H VAL 71 14.696 7.034 1.550 549 HA VAL 68 HA VAL 71 12.620 5.082 1.873 550 HB VAL 68 HB VAL 71 15.273 5.356 3.338 551 1HG1 VAL 68 2HG1 VAL 71 13.390 2.982 3.027 552 2HG1 VAL 68 3HG1 VAL 71 15.023 2.917 3.721 553 3HG1 VAL 68 1HG1 VAL 71 13.761 3.843 4.538 554 1HG2 VAL 68 1HG2 VAL 71 14.520 3.794 0.829 555 2HG2 VAL 68 2HG2 VAL 71 15.613 5.194 0.896 556 3HG2 VAL 68 3HG2 VAL 71 16.071 3.683 1.686 557 H LEU 69 H LEU 72 14.031 7.579 4.068 558 HA LEU 69 HA LEU 72 12.525 6.933 6.363 559 1HB LEU 69 1HB LEU 72 14.348 8.573 6.408 560 2HB LEU 69 2HB LEU 72 13.425 9.679 5.399 561 HG LEU 69 HG LEU 72 11.721 9.952 7.129 562 1HD1 LEU 69 2HD1 LEU 72 13.481 8.151 8.851 563 2HD1 LEU 69 3HD1 LEU 72 12.139 9.145 9.439 564 3HD1 LEU 69 1HD1 LEU 72 11.815 7.812 8.330 565 1HD2 LEU 69 2HD2 LEU 72 13.692 11.441 7.015 566 2HD2 LEU 69 3HD2 LEU 72 13.082 11.274 8.665 567 3HD2 LEU 69 1HD2 LEU 72 14.548 10.398 8.169 568 H VAL 70 H VAL 73 11.748 9.113 3.631 569 HA VAL 70 HA VAL 73 9.190 9.903 4.511 570 HB VAL 70 HB VAL 73 10.299 9.587 1.693 571 1HG1 VAL 70 2HG1 VAL 73 7.733 10.961 2.588 572 2HG1 VAL 70 3HG1 VAL 73 8.475 11.098 0.979 573 3HG1 VAL 70 1HG1 VAL 73 7.849 9.542 1.524 574 1HG2 VAL 70 2HG2 VAL 73 11.440 11.257 3.159 575 2HG2 VAL 70 3HG2 VAL 73 10.565 12.025 1.828 576 3HG2 VAL 70 1HG2 VAL 73 9.880 12.035 3.467 577 H LYS 71 H LYS 74 10.092 7.114 2.373 578 HA LYS 71 HA LYS 74 7.454 6.104 2.119 579 1HB LYS 71 1HB LYS 74 10.140 4.679 2.137 580 2HB LYS 71 2HB LYS 74 8.626 3.865 1.745 581 1HG LYS 71 1HG LYS 74 9.535 6.352 0.239 582 2HG LYS 71 2HG LYS 74 10.069 4.723 -0.197 583 1HD LYS 71 1HD LYS 74 7.741 3.999 -0.553 584 2HD LYS 71 2HD LYS 74 7.136 5.570 -0.016 585 1HE LYS 71 1HE LYS 74 7.086 5.475 -2.435 586 2HE LYS 71 2HE LYS 74 8.261 6.692 -1.911 587 1HZ LYS 71 2HZ LYS 74 8.903 3.952 -2.766 588 2HZ LYS 71 3HZ LYS 74 9.080 5.309 -3.684 589 3HZ LYS 71 1HZ LYS 74 9.995 5.108 -2.330 590 H LYS 72 H LYS 75 9.843 5.591 4.724 591 HA LYS 72 HA LYS 75 7.994 3.837 6.185 592 1HB LYS 72 1HB LYS 75 10.720 4.901 6.987 593 2HB LYS 72 2HB LYS 75 9.807 3.609 7.775 594 1HG LYS 72 1HG LYS 75 11.123 3.506 5.044 595 2HG LYS 72 2HG LYS 75 11.494 2.572 6.493 596 1HD LYS 72 1HD LYS 75 9.154 1.563 6.302 597 2HD LYS 72 2HD LYS 75 9.012 2.407 4.737 598 1HE LYS 72 1HE LYS 75 11.010 1.205 3.896 599 2HE LYS 72 2HE LYS 75 11.169 0.363 5.450 600 1HZ LYS 72 1HZ LYS 75 9.027 -0.615 5.073 601 2HZ LYS 72 2HZ LYS 75 8.877 0.162 3.628 602 3HZ LYS 72 3HZ LYS 75 10.055 -0.971 3.836 603 H ILE 73 H ILE 76 7.269 6.894 5.825 604 HA ILE 73 HA ILE 76 7.309 7.840 8.571 605 HB ILE 73 HB ILE 76 5.493 8.665 6.286 606 1HG1 ILE 73 1HG1 ILE 76 7.811 10.280 7.448 607 2HG1 ILE 73 2HG1 ILE 76 8.066 9.110 6.193 608 1HG2 ILE 73 2HG2 ILE 76 5.990 9.931 9.033 609 2HG2 ILE 73 3HG2 ILE 76 5.056 10.691 7.736 610 3HG2 ILE 73 1HG2 ILE 76 4.458 9.230 8.489 611 1HD1 ILE 73 2HD1 ILE 76 6.098 11.445 5.983 612 2HD1 ILE 73 3HD1 ILE 76 7.715 11.407 5.288 613 3HD1 ILE 73 1HD1 ILE 76 6.471 10.281 4.707 614 H SER 74 H SER 77 6.736 5.916 9.622 615 HA SER 74 HA SER 77 4.131 4.667 9.236 616 1HB SER 74 1HB SER 77 6.247 4.211 11.404 617 2HB SER 74 2HB SER 77 4.965 3.084 10.916 618 HG SER 74 HG SER 77 7.107 4.013 9.248 619 H GLN 75 H GLN 78 2.323 5.237 10.172 620 HA GLN 75 HA GLN 78 2.361 7.147 12.460 621 1HB GLN 75 1HB GLN 78 0.132 6.660 10.460 622 2HB GLN 75 2HB GLN 78 0.363 8.034 11.558 623 1HG GLN 75 1HG GLN 78 2.518 8.547 10.258 624 2HG GLN 75 2HG GLN 78 2.051 7.290 9.105 625 1HE2 GLN 75 1HE2 GLN 78 0.022 10.877 9.151 626 2HE2 GLN 75 2HE2 GLN 78 1.025 10.435 10.521 No H/Q in entry = 627 Start of MODEL 12 Raw file had 628 H/Q atoms Start of MODEL 12 1 1H SER -2 2H SER 1 2.198 11.290 1.777 2 2H SER -2 3H SER 1 2.324 10.528 0.303 3 3H SER -2 1H SER 1 2.373 12.181 0.427 4 HA SER -2 HA SER 1 0.230 11.793 -0.286 5 1HB SER -2 1HB SER 1 -0.091 9.870 2.070 6 2HB SER -2 2HB SER 1 -1.260 10.205 0.776 7 HG SER -2 HG SER 1 -0.242 8.453 0.000 8 H ALA -1 H ALA 2 -1.767 12.772 0.915 9 HA ALA -1 HA ALA 2 -2.605 14.456 2.182 10 1HB ALA -1 1HB ALA 2 -2.466 12.757 3.960 11 2HB ALA -1 2HB ALA 2 -0.835 13.312 4.389 12 3HB ALA -1 3HB ALA 2 -2.218 14.398 4.587 13 H GLN 0 H GLN 3 -1.379 15.740 0.604 14 HA GLN 0 HA GLN 3 -0.294 17.610 0.057 15 1HB GLN 0 1HB GLN 3 0.582 17.986 2.946 16 2HB GLN 0 2HB GLN 3 0.694 19.141 1.625 17 1HG GLN 0 1HG GLN 3 -1.783 19.166 1.412 18 2HG GLN 0 2HG GLN 3 -1.908 17.999 2.738 19 1HE2 GLN 0 1HE2 GLN 3 -0.663 21.838 3.655 20 2HE2 GLN 0 2HE2 GLN 3 -0.255 21.169 2.084 21 H LYS 1 H LYS 4 1.611 16.039 2.406 22 HA LYS 1 HA LYS 4 4.185 16.423 1.350 23 1HB LYS 1 1HB LYS 4 3.318 13.847 2.695 24 2HB LYS 1 2HB LYS 4 4.945 14.515 2.537 25 1HG LYS 1 1HG LYS 4 2.644 15.639 4.200 26 2HG LYS 1 2HG LYS 4 4.094 14.835 4.800 27 1HD LYS 1 1HD LYS 4 5.486 16.691 3.757 28 2HD LYS 1 2HD LYS 4 3.974 17.548 3.409 29 1HE LYS 1 1HE LYS 4 4.958 16.713 6.176 30 2HE LYS 1 2HE LYS 4 5.008 18.347 5.496 31 1HZ LYS 1 1HZ LYS 4 2.619 18.306 5.368 32 2HZ LYS 1 2HZ LYS 4 2.574 16.798 6.032 33 3HZ LYS 1 3HZ LYS 4 3.135 18.069 6.915 34 H SER 2 H SER 5 5.022 15.930 -0.505 35 HA SER 2 HA SER 5 4.484 13.460 -1.986 36 1HB SER 2 1HB SER 5 4.076 16.254 -3.187 37 2HB SER 2 2HB SER 5 3.879 14.708 -4.032 38 HG SER 2 HG SER 5 2.307 15.767 -1.916 39 HA PRO 3 HA PRO 6 8.807 13.660 -2.688 40 1HB PRO 3 1HB PRO 6 8.215 13.910 -5.658 41 2HB PRO 3 2HB PRO 6 9.516 12.980 -4.857 42 1HG PRO 3 1HG PRO 6 7.226 11.720 -5.543 43 2HG PRO 3 2HG PRO 6 7.918 11.445 -3.918 44 1HD PRO 3 1HD PRO 6 5.606 13.219 -4.688 45 2HD PRO 3 2HD PRO 6 5.795 12.150 -3.267 46 H ALA 4 H ALA 7 7.542 15.996 -5.161 47 HA ALA 4 HA ALA 7 9.721 17.730 -5.027 48 1HB ALA 4 1HB ALA 7 8.036 17.788 -6.825 49 2HB ALA 4 2HB ALA 7 6.828 18.410 -5.678 50 3HB ALA 4 3HB ALA 7 8.247 19.392 -6.099 51 H GLU 5 H GLU 8 6.811 17.875 -3.279 52 HA GLU 5 HA GLU 8 7.271 20.319 -1.842 53 1HB GLU 5 1HB GLU 8 5.037 19.228 -2.092 54 2HB GLU 5 2HB GLU 8 5.541 17.965 -0.956 55 1HG GLU 5 1HG GLU 8 5.874 19.705 0.798 56 2HG GLU 5 2HG GLU 8 5.368 20.951 -0.353 57 H LEU 6 H LEU 9 7.766 16.896 -0.938 58 HA LEU 6 HA LEU 9 8.937 17.393 1.577 59 1HB LEU 6 1HB LEU 9 9.080 15.065 -0.353 60 2HB LEU 6 2HB LEU 9 9.945 15.023 1.182 61 HG LEU 6 HG LEU 9 6.954 15.595 1.080 62 1HD1 LEU 6 2HD1 LEU 9 8.393 12.938 1.304 63 2HD1 LEU 6 3HD1 LEU 9 6.653 13.166 1.584 64 3HD1 LEU 6 1HD1 LEU 9 7.336 13.437 -0.030 65 1HD2 LEU 6 1HD2 LEU 9 8.852 14.549 3.248 66 2HD2 LEU 6 2HD2 LEU 9 8.089 16.149 3.221 67 3HD2 LEU 6 3HD2 LEU 9 7.101 14.702 3.430 68 H LYS 7 H LYS 10 10.325 17.110 -1.526 69 HA LYS 7 HA LYS 10 13.084 17.323 -0.755 70 1HB LYS 7 1HB LYS 10 12.057 16.750 -3.081 71 2HB LYS 7 2HB LYS 10 12.079 18.489 -3.369 72 1HG LYS 7 1HG LYS 10 14.449 16.695 -2.655 73 2HG LYS 7 2HG LYS 10 14.043 17.294 -4.266 74 1HD LYS 7 1HD LYS 10 14.352 19.660 -3.405 75 2HD LYS 7 2HD LYS 10 14.980 18.973 -1.895 76 1HE LYS 7 1HE LYS 10 16.175 18.476 -4.647 77 2HE LYS 7 2HE LYS 10 16.784 19.620 -3.440 78 1HZ LYS 7 1HZ LYS 10 17.129 17.798 -1.948 79 2HZ LYS 7 2HZ LYS 10 16.582 16.716 -3.066 80 3HZ LYS 7 3HZ LYS 10 17.962 17.571 -3.351 81 H SER 8 H SER 11 10.722 19.815 -1.817 82 HA SER 8 HA SER 11 12.324 22.081 -1.422 83 1HB SER 8 1HB SER 11 9.314 21.905 -0.959 84 2HB SER 8 2HB SER 11 10.265 23.356 -1.310 85 HG SER 8 HG SER 11 9.927 21.099 -3.024 86 H ILE 9 H ILE 12 10.216 20.413 0.994 87 HA ILE 9 HA ILE 12 10.832 22.267 3.115 88 HB ILE 9 HB ILE 12 9.814 19.403 3.155 89 1HG1 ILE 9 1HG1 ILE 12 8.303 22.004 3.676 90 2HG1 ILE 9 2HG1 ILE 12 8.401 21.292 2.070 91 1HG2 ILE 9 2HG2 ILE 12 9.987 21.462 5.409 92 2HG2 ILE 9 3HG2 ILE 12 9.107 19.923 5.508 93 3HG2 ILE 9 1HG2 ILE 12 10.850 19.916 5.314 94 1HD1 ILE 9 1HD1 ILE 12 7.377 19.192 2.914 95 2HD1 ILE 9 2HD1 ILE 12 7.146 19.962 4.501 96 3HD1 ILE 9 3HD1 ILE 12 6.330 20.615 3.078 97 H PHE 10 H PHE 13 12.059 18.999 2.406 98 HA PHE 10 HA PHE 13 14.007 18.577 4.290 99 1HB PHE 10 1HB PHE 13 13.322 16.934 2.696 100 2HB PHE 10 2HB PHE 13 13.898 17.898 1.348 101 HD1 PHE 10 HD1 PHE 13 16.327 18.200 0.891 102 HD2 PHE 10 HD2 PHE 13 14.791 15.370 3.768 103 HE1 PHE 10 HE1 PHE 13 18.401 16.888 0.717 104 HE2 PHE 10 HE2 PHE 13 16.903 14.087 3.610 105 HZ PHE 10 HZ PHE 13 18.656 14.767 2.010 106 H GLU 11 H GLU 14 14.392 20.362 1.207 107 HA GLU 11 HA GLU 14 17.133 20.855 1.374 108 1HB GLU 11 1HB GLU 14 16.939 22.012 -0.495 109 2HB GLU 11 2HB GLU 14 15.323 21.313 -0.525 110 1HG GLU 11 1HG GLU 14 14.618 23.482 0.747 111 2HG GLU 11 2HG GLU 14 16.203 24.100 0.268 112 H LYS 12 H LYS 15 14.506 22.534 3.099 113 HA LYS 12 HA LYS 15 16.049 24.853 3.762 114 1HB LYS 12 1HB LYS 15 13.777 23.639 5.374 115 2HB LYS 12 2HB LYS 15 14.361 25.304 5.425 116 1HG LYS 12 1HG LYS 15 12.937 23.943 3.098 117 2HG LYS 12 2HG LYS 15 12.287 25.166 4.184 118 1HD LYS 12 1HD LYS 15 13.922 26.831 3.300 119 2HD LYS 12 2HD LYS 15 14.618 25.588 2.244 120 1HE LYS 12 1HE LYS 15 13.126 26.966 0.944 121 2HE LYS 12 2HE LYS 15 12.492 25.320 1.050 122 1HZ LYS 12 2HZ LYS 15 11.603 27.600 2.680 123 2HZ LYS 12 3HZ LYS 15 10.806 26.974 1.380 124 3HZ LYS 12 1HZ LYS 15 10.988 26.070 2.744 125 OH TYR 13 OH TYR 16 11.274 19.508 8.799 126 H TYR 13 H TYR 16 15.691 21.687 5.405 127 HA TYR 13 HA TYR 16 17.410 22.597 7.601 128 1HB TYR 13 1HB TYR 16 16.916 19.719 7.031 129 2HB TYR 13 2HB TYR 16 17.269 20.503 8.559 130 HD1 TYR 13 HD1 TYR 16 14.770 19.893 5.938 131 HD2 TYR 13 HD2 TYR 16 15.453 20.621 10.095 132 HE1 TYR 13 HE1 TYR 16 12.538 19.102 6.474 133 HE2 TYR 13 HE2 TYR 16 13.041 20.365 10.545 134 HH TYR 13 HH TYR 16 10.836 19.044 8.073 135 H ALA 14 H ALA 17 17.735 20.425 4.718 136 HA ALA 14 HA ALA 17 20.419 19.691 5.132 137 1HB ALA 14 2HB ALA 17 18.895 20.062 2.522 138 2HB ALA 14 3HB ALA 17 20.476 19.279 2.653 139 3HB ALA 14 1HB ALA 17 19.091 18.552 3.455 140 H ALA 15 H ALA 18 19.159 22.612 3.506 141 HA ALA 15 HA ALA 18 21.611 23.676 2.624 142 1HB ALA 15 2HB ALA 18 19.066 25.114 3.465 143 2HB ALA 15 3HB ALA 18 20.399 25.829 2.536 144 3HB ALA 15 1HB ALA 18 19.457 24.503 1.837 145 H LYS 16 H LYS 19 20.614 23.316 5.954 146 HA LYS 16 HA LYS 19 21.968 25.621 7.005 147 1HB LYS 16 1HB LYS 19 21.451 22.869 8.209 148 2HB LYS 16 2HB LYS 19 22.095 24.253 9.097 149 1HG LYS 16 1HG LYS 19 20.119 25.578 8.680 150 2HG LYS 16 2HG LYS 19 19.419 24.337 7.631 151 1HD LYS 16 1HD LYS 19 19.294 22.749 9.492 152 2HD LYS 16 2HD LYS 19 20.043 23.915 10.593 153 1HE LYS 16 1HE LYS 19 17.392 24.366 9.124 154 2HE LYS 16 2HE LYS 19 17.534 23.782 10.788 155 1HZ LYS 16 1HZ LYS 19 18.655 25.816 11.344 156 2HZ LYS 16 2HZ LYS 19 18.496 26.369 9.799 157 3HZ LYS 16 3HZ LYS 19 17.157 26.112 10.722 158 H GLU 17 H GLU 20 23.043 22.541 5.670 159 HA GLU 17 HA GLU 20 25.872 23.084 6.439 160 1HB GLU 17 1HB GLU 20 24.715 20.640 5.055 161 2HB GLU 17 2HB GLU 20 26.284 20.806 5.862 162 1HG GLU 17 1HG GLU 20 23.519 20.696 7.122 163 2HG GLU 17 2HG GLU 20 24.831 19.517 7.270 164 H GLY 18 H GLY 21 27.452 22.916 4.623 165 1HA GLY 18 1HA GLY 21 26.528 24.237 2.177 166 2HA GLY 18 2HA GLY 21 28.175 23.719 2.572 167 H ASP 19 H ASP 22 25.013 22.088 2.208 168 HA ASP 19 HA ASP 22 25.707 20.461 -0.072 169 1HB ASP 19 1HB ASP 22 27.103 19.338 1.633 170 2HB ASP 19 2HB ASP 22 25.695 19.161 2.688 171 HA PRO 20 HA PRO 23 21.279 21.231 1.237 172 1HB PRO 20 1HB PRO 23 20.305 22.468 -0.983 173 2HB PRO 20 2HB PRO 23 21.351 23.291 0.197 174 1HG PRO 20 1HG PRO 23 22.228 21.952 -2.377 175 2HG PRO 20 2HG PRO 23 22.557 23.635 -1.862 176 1HD PRO 20 1HD PRO 23 24.350 21.644 -1.435 177 2HD PRO 20 2HD PRO 23 24.093 22.910 -0.197 178 H ASN 21 H ASN 24 22.364 18.669 0.368 179 HA ASN 21 HA ASN 24 19.899 17.616 -0.841 180 1HB ASN 21 1HB ASN 24 20.865 16.346 -2.531 181 2HB ASN 21 2HB ASN 24 21.462 17.989 -2.736 182 1HD2 ASN 21 1HD2 ASN 24 24.079 14.988 -1.573 183 2HD2 ASN 21 2HD2 ASN 24 22.361 14.860 -1.165 184 H GLN 22 H GLN 25 21.672 17.613 1.833 185 HA GLN 22 HA GLN 25 20.776 14.932 2.479 186 1HB GLN 22 1HB GLN 25 23.472 15.906 3.498 187 2HB GLN 22 2HB GLN 25 22.823 14.304 3.598 188 1HG GLN 22 1HG GLN 25 23.093 14.172 0.986 189 2HG GLN 22 2HG GLN 25 24.126 15.579 1.158 190 1HE2 GLN 22 1HE2 GLN 25 26.832 13.634 2.521 191 2HE2 GLN 22 2HE2 GLN 25 26.254 15.245 2.083 192 H LEU 23 H LEU 26 20.932 14.396 4.728 193 HA LEU 23 HA LEU 26 21.108 16.819 6.309 194 1HB LEU 23 1HB LEU 26 19.194 14.430 6.695 195 2HB LEU 23 2HB LEU 26 19.225 15.828 7.784 196 HG LEU 23 HG LEU 26 18.377 16.095 4.872 197 1HD1 LEU 23 2HD1 LEU 26 16.714 15.509 7.358 198 2HD1 LEU 23 3HD1 LEU 26 16.088 15.944 5.757 199 3HD1 LEU 23 1HD1 LEU 26 16.940 14.403 5.987 200 1HD2 LEU 23 2HD2 LEU 26 19.027 18.125 6.250 201 2HD2 LEU 23 3HD2 LEU 26 17.347 18.079 5.659 202 3HD2 LEU 23 1HD2 LEU 26 17.706 17.660 7.362 203 H SER 24 H SER 27 22.353 16.757 8.076 204 HA SER 24 HA SER 27 23.555 14.163 8.810 205 1HB SER 24 1HB SER 27 24.996 16.238 8.418 206 2HB SER 24 2HB SER 27 24.314 16.890 9.925 207 HG SER 24 HG SER 27 25.876 14.575 9.509 208 H LYS 25 H LYS 28 24.068 14.514 11.411 209 HA LYS 25 HA LYS 28 21.802 13.464 12.631 210 1HB LYS 25 1HB LYS 28 24.076 14.888 14.061 211 2HB LYS 25 2HB LYS 28 22.905 13.763 14.766 212 1HG LYS 25 1HG LYS 28 23.743 12.004 13.096 213 2HG LYS 25 2HG LYS 28 24.992 13.155 12.627 214 1HD LYS 25 1HD LYS 28 26.000 11.667 14.171 215 2HD LYS 25 2HD LYS 28 25.834 13.236 14.957 216 1HE LYS 25 1HE LYS 28 25.305 11.401 16.498 217 2HE LYS 25 2HE LYS 28 23.869 12.391 16.241 218 1HZ LYS 25 2HZ LYS 28 24.459 9.833 14.911 219 2HZ LYS 25 3HZ LYS 28 23.395 10.053 16.147 220 3HZ LYS 25 1HZ LYS 28 23.099 10.734 14.686 221 H GLU 26 H GLU 29 22.934 16.848 13.117 222 HA GLU 26 HA GLU 29 20.818 17.583 14.843 223 1HB GLU 26 1HB GLU 29 22.244 19.532 12.981 224 2HB GLU 26 2HB GLU 29 21.469 19.830 14.530 225 1HG GLU 26 1HG GLU 29 23.629 19.782 15.238 226 2HG GLU 26 2HG GLU 29 23.302 18.055 15.400 227 H GLU 27 H GLU 30 21.175 18.183 11.348 228 HA GLU 27 HA GLU 30 18.690 19.448 10.931 229 1HB GLU 27 1HB GLU 30 20.104 17.694 8.884 230 2HB GLU 27 2HB GLU 30 18.995 19.039 8.614 231 1HG GLU 27 1HG GLU 30 20.968 20.113 8.215 232 2HG GLU 27 2HG GLU 30 20.821 20.452 9.942 233 H LEU 28 H LEU 31 19.557 15.951 10.723 234 HA LEU 28 HA LEU 31 16.972 15.069 9.971 235 1HB LEU 28 1HB LEU 31 19.215 13.743 11.562 236 2HB LEU 28 2HB LEU 31 17.704 12.903 11.186 237 HG LEU 28 HG LEU 31 19.389 14.069 9.000 238 1HD1 LEU 28 1HD1 LEU 31 20.748 12.491 10.404 239 2HD1 LEU 28 2HD1 LEU 31 19.562 11.223 10.024 240 3HD1 LEU 28 3HD1 LEU 31 20.509 11.995 8.732 241 1HD2 LEU 28 2HD2 LEU 31 16.981 13.399 8.518 242 2HD2 LEU 28 3HD2 LEU 31 18.136 12.402 7.643 243 3HD2 LEU 28 1HD2 LEU 31 17.359 11.771 9.100 244 H LYS 29 H LYS 32 18.486 15.256 13.259 245 HA LYS 29 HA LYS 32 16.344 14.398 14.800 246 1HB LYS 29 1HB LYS 32 18.481 14.909 15.821 247 2HB LYS 29 2HB LYS 32 18.421 16.572 15.269 248 1HG LYS 29 1HG LYS 32 17.995 16.638 17.586 249 2HG LYS 29 2HG LYS 32 16.504 17.067 16.766 250 1HD LYS 29 1HD LYS 32 15.920 15.621 18.566 251 2HD LYS 29 2HD LYS 32 15.736 14.636 17.108 252 1HE LYS 29 1HE LYS 32 17.914 13.545 17.553 253 2HE LYS 29 2HE LYS 32 18.214 14.645 18.910 254 1HZ LYS 29 2HZ LYS 32 16.034 12.694 18.759 255 2HZ LYS 29 3HZ LYS 32 17.419 12.536 19.637 256 3HZ LYS 29 1HZ LYS 32 16.332 13.713 20.020 257 H GLN 30 H GLN 33 17.004 17.759 13.751 258 HA GLN 30 HA GLN 33 14.705 18.950 14.814 259 1HB GLN 30 1HB GLN 33 16.300 19.565 12.294 260 2HB GLN 30 2HB GLN 33 15.043 20.647 12.910 261 1HG GLN 30 1HG GLN 33 16.239 21.116 14.904 262 2HG GLN 30 2HG GLN 33 17.352 19.763 14.683 263 1HE2 GLN 30 1HE2 GLN 33 19.415 22.595 13.739 264 2HE2 GLN 30 2HE2 GLN 33 18.803 21.799 15.178 265 H LEU 31 H LEU 34 15.202 17.666 11.475 266 HA LEU 31 HA LEU 34 12.616 17.934 10.549 267 1HB LEU 31 1HB LEU 34 14.670 17.216 9.268 268 2HB LEU 31 2HB LEU 34 14.421 15.580 9.862 269 HG LEU 31 HG LEU 34 12.185 17.047 8.420 270 1HD1 LEU 31 1HD1 LEU 34 14.271 17.153 7.012 271 2HD1 LEU 31 2HD1 LEU 34 14.333 15.381 7.095 272 3HD1 LEU 31 3HD1 LEU 34 12.971 16.191 6.294 273 1HD2 LEU 31 1HD2 LEU 34 12.916 14.090 8.662 274 2HD2 LEU 31 2HD2 LEU 34 11.519 14.874 9.414 275 3HD2 LEU 31 3HD2 LEU 34 11.605 14.754 7.665 276 H ILE 32 H ILE 35 13.841 15.200 12.205 277 HA ILE 32 HA ILE 35 11.434 13.665 12.208 278 HB ILE 32 HB ILE 35 13.615 13.606 14.325 279 1HG1 ILE 32 1HG1 ILE 35 14.632 12.931 12.272 280 2HG1 ILE 32 2HG1 ILE 35 14.330 11.497 13.226 281 1HG2 ILE 32 2HG2 ILE 35 11.288 11.712 13.816 282 2HG2 ILE 32 3HG2 ILE 35 12.688 11.319 14.831 283 3HG2 ILE 32 1HG2 ILE 35 11.627 12.644 15.287 284 1HD1 ILE 32 1HD1 ILE 35 12.264 11.073 11.811 285 2HD1 ILE 32 2HD1 ILE 35 12.759 12.452 10.798 286 3HD1 ILE 32 3HD1 ILE 35 13.798 11.027 10.925 287 H GLN 33 H GLN 36 12.674 15.577 14.750 288 HA GLN 33 HA GLN 36 10.456 15.436 16.501 289 1HB GLN 33 1HB GLN 36 12.493 17.673 16.172 290 2HB GLN 33 2HB GLN 36 11.323 17.599 17.493 291 1HG GLN 33 1HG GLN 36 13.451 15.494 16.900 292 2HG GLN 33 2HG GLN 36 13.522 16.709 18.179 293 1HE2 GLN 33 1HE2 GLN 36 10.814 15.024 20.051 294 2HE2 GLN 33 2HE2 GLN 36 11.173 16.648 19.489 295 H ALA 34 H ALA 37 11.045 17.933 13.989 296 HA ALA 34 HA ALA 37 8.553 19.303 14.668 297 1HB ALA 34 1HB ALA 37 10.544 20.518 13.914 298 2HB ALA 34 2HB ALA 37 10.482 19.683 12.348 299 3HB ALA 34 3HB ALA 37 9.171 20.783 12.820 300 H GLU 35 H GLU 38 9.670 17.353 11.873 301 HA GLU 35 HA GLU 38 7.139 17.696 10.503 302 1HB GLU 35 1HB GLU 38 9.610 17.602 9.608 303 2HB GLU 35 2HB GLU 38 9.323 15.860 9.548 304 1HG GLU 35 1HG GLU 38 7.346 16.272 8.079 305 2HG GLU 35 2HG GLU 38 7.617 18.017 8.209 306 H PHE 36 H PHE 39 8.737 14.919 12.220 307 HA PHE 36 HA PHE 39 6.148 13.621 12.398 308 1HB PHE 36 1HB PHE 39 6.947 11.519 11.180 309 2HB PHE 36 2HB PHE 39 6.226 12.850 10.319 310 HD1 PHE 36 HD1 PHE 39 9.517 11.185 11.011 311 HD2 PHE 36 HD2 PHE 39 7.299 13.920 8.517 312 HE1 PHE 36 HE1 PHE 39 11.262 11.031 9.280 313 HE2 PHE 36 HE2 PHE 39 9.006 13.671 6.742 314 HZ PHE 36 HZ PHE 39 10.981 12.207 7.106 315 HA PRO 37 HA PRO 40 9.140 12.425 15.634 316 1HB PRO 37 1HB PRO 40 7.629 12.903 17.878 317 2HB PRO 37 2HB PRO 40 8.527 14.169 17.007 318 1HG PRO 37 1HG PRO 40 5.606 13.442 16.631 319 2HG PRO 37 2HG PRO 40 6.301 15.064 16.945 320 1HD PRO 37 1HD PRO 40 5.744 14.290 14.430 321 2HD PRO 37 2HD PRO 40 7.283 15.146 14.770 322 H SER 38 H SER 41 6.491 11.116 14.244 323 HA SER 38 HA SER 41 5.222 9.269 15.661 324 1HB SER 38 1HB SER 41 6.394 8.642 12.942 325 2HB SER 38 2HB SER 41 4.766 8.317 13.574 326 HG SER 38 HG SER 41 4.658 10.127 12.231 327 H LEU 39 H LEU 42 8.585 9.008 14.498 328 HA LEU 39 HA LEU 42 9.041 6.268 14.910 329 1HB LEU 39 1HB LEU 42 10.990 8.554 15.422 330 2HB LEU 39 2HB LEU 42 11.413 6.858 15.157 331 HG LEU 39 HG LEU 42 10.160 8.752 13.114 332 1HD1 LEU 39 1HD1 LEU 42 12.563 9.121 13.587 333 2HD1 LEU 39 2HD1 LEU 42 12.896 7.411 13.238 334 3HD1 LEU 39 3HD1 LEU 42 12.305 8.483 11.954 335 1HD2 LEU 39 1HD2 LEU 42 10.900 5.798 12.872 336 2HD2 LEU 39 2HD2 LEU 42 9.280 6.510 12.673 337 3HD2 LEU 39 3HD2 LEU 42 10.548 6.869 11.500 338 H LEU 40 H LEU 43 8.793 8.840 17.358 339 HA LEU 40 HA LEU 43 9.824 7.066 19.448 340 1HB LEU 40 1HB LEU 43 8.564 9.826 19.549 341 2HB LEU 40 2HB LEU 43 9.279 9.000 20.936 342 HG LEU 40 HG LEU 43 10.838 9.753 18.411 343 1HD1 LEU 40 2HD1 LEU 43 10.676 11.108 21.137 344 2HD1 LEU 40 3HD1 LEU 43 11.787 11.552 19.827 345 3HD1 LEU 40 1HD1 LEU 43 10.042 11.747 19.603 346 1HD2 LEU 40 1HD2 LEU 43 11.672 8.660 21.142 347 2HD2 LEU 40 2HD2 LEU 43 11.929 7.901 19.555 348 3HD2 LEU 40 3HD2 LEU 43 12.800 9.377 19.982 349 H LYS 41 H LYS 44 6.866 7.421 17.968 350 HA LYS 41 HA LYS 44 5.235 6.824 20.352 351 1HB LYS 41 1HB LYS 44 4.370 6.943 17.449 352 2HB LYS 41 2HB LYS 44 3.350 7.027 18.888 353 1HG LYS 41 1HG LYS 44 5.406 9.099 17.988 354 2HG LYS 41 2HG LYS 44 3.650 9.227 17.859 355 1HD LYS 41 1HD LYS 44 3.468 9.136 20.348 356 2HD LYS 41 2HD LYS 44 5.235 9.100 20.475 357 1HE LYS 41 1HE LYS 44 3.621 11.340 19.174 358 2HE LYS 41 2HE LYS 44 4.311 11.377 20.805 359 1HZ LYS 41 1HZ LYS 44 6.480 11.143 19.841 360 2HZ LYS 41 2HZ LYS 44 5.856 11.123 18.318 361 3HZ LYS 41 3HZ LYS 44 5.716 12.476 19.246 362 H GLY 42 H GLY 45 6.864 4.894 20.520 363 1HA GLY 42 1HA GLY 45 6.062 2.586 20.963 364 2HA GLY 42 2HA GLY 45 5.533 2.466 19.290 365 HA PRO 43 HA PRO 46 9.364 0.992 17.823 366 1HB PRO 43 1HB PRO 46 10.058 3.520 16.334 367 2HB PRO 43 2HB PRO 46 10.016 1.843 15.739 368 1HG PRO 43 1HG PRO 46 7.986 3.569 15.157 369 2HG PRO 43 2HG PRO 46 7.640 1.870 15.596 370 1HD PRO 43 1HD PRO 46 7.448 4.315 17.369 371 2HD PRO 43 2HD PRO 46 6.324 2.944 17.187 372 NH1 ARG 44 NH2 ARG 47 8.654 1.952 24.931 373 NH2 ARG 44 NH1 ARG 47 8.061 0.762 23.016 374 H ARG 44 H ARG 47 9.842 4.469 18.622 375 HA ARG 44 HA ARG 47 11.408 5.583 19.808 376 1HB ARG 44 1HB ARG 47 11.387 2.987 21.352 377 2HB ARG 44 2HB ARG 47 12.357 4.370 21.858 378 1HG ARG 44 1HG ARG 47 10.520 5.778 22.219 379 2HG ARG 44 2HG ARG 47 9.421 4.776 21.260 380 1HD ARG 44 1HD ARG 47 10.665 3.817 23.862 381 2HD ARG 44 2HD ARG 47 9.068 4.599 23.735 382 HE ARG 44 HE ARG 47 9.156 2.542 21.808 383 1HH1 ARG 44 1HH2 ARG 47 9.105 2.758 25.335 384 2HH1 ARG 44 2HH2 ARG 47 8.233 1.259 25.531 385 1HH2 ARG 44 1HH1 ARG 47 8.070 0.741 21.997 386 2HH2 ARG 44 2HH1 ARG 47 7.630 0.019 23.543 387 H THR 45 H THR 48 12.217 4.322 17.380 388 HA THR 45 HA THR 48 15.007 3.511 17.724 389 HB THR 45 HB THR 48 13.138 3.854 15.457 No match found for entry HG1THR 45 390 1HG2 THR 45 2HG2 THR 48 15.998 4.886 15.010 391 2HG2 THR 45 3HG2 THR 48 15.103 3.926 13.815 392 3HG2 THR 45 1HG2 THR 48 14.464 5.455 14.381 393 H LEU 46 H LEU 49 13.458 6.161 16.361 394 HA LEU 46 HA LEU 49 13.997 8.169 15.569 395 1HB LEU 46 1HB LEU 49 13.752 8.733 17.910 396 2HB LEU 46 2HB LEU 49 15.492 8.573 18.192 397 HG LEU 46 HG LEU 49 14.524 10.359 15.926 398 1HD1 LEU 46 2HD1 LEU 49 14.440 11.149 18.860 399 2HD1 LEU 46 3HD1 LEU 49 14.251 12.254 17.477 400 3HD1 LEU 46 1HD1 LEU 49 13.053 10.987 17.760 401 1HD2 LEU 46 1HD2 LEU 49 16.820 10.602 17.921 402 2HD2 LEU 46 2HD2 LEU 49 16.972 10.149 16.214 403 3HD2 LEU 46 3HD2 LEU 49 16.437 11.766 16.635 404 H ASP 47 H ASP 50 17.057 7.105 17.151 405 HA ASP 47 HA ASP 50 18.463 8.108 14.847 406 1HB ASP 47 1HB ASP 50 19.204 8.827 17.091 407 2HB ASP 47 2HB ASP 50 19.531 7.141 17.528 408 H ASP 48 H ASP 51 17.794 4.878 16.060 409 HA ASP 48 HA ASP 51 20.015 3.539 15.023 410 1HB ASP 48 1HB ASP 51 18.365 2.427 16.405 411 2HB ASP 48 2HB ASP 51 17.115 2.610 15.175 412 H LEU 49 H LEU 52 16.916 3.595 13.207 413 HA LEU 49 HA LEU 52 18.196 2.745 10.809 414 1HB LEU 49 1HB LEU 52 16.150 2.959 9.681 415 2HB LEU 49 2HB LEU 52 15.856 2.356 11.303 416 HG LEU 49 HG LEU 52 15.364 4.960 11.804 417 1HD1 LEU 49 2HD1 LEU 52 14.662 4.636 8.845 418 2HD1 LEU 49 3HD1 LEU 52 14.170 5.969 9.903 419 3HD1 LEU 49 1HD1 LEU 52 15.873 5.758 9.488 420 1HD2 LEU 49 2HD2 LEU 52 13.770 3.064 12.105 421 2HD2 LEU 49 3HD2 LEU 52 12.980 4.480 11.393 422 3HD2 LEU 49 1HD2 LEU 52 13.420 3.098 10.369 423 H PHE 50 H PHE 53 17.348 5.921 12.000 424 HA PHE 50 HA PHE 53 17.924 7.665 9.899 425 1HB PHE 50 1HB PHE 53 16.935 8.236 12.006 426 2HB PHE 50 2HB PHE 53 18.330 7.659 12.864 427 HD1 PHE 50 HD2 PHE 53 20.660 9.077 12.237 428 HD2 PHE 50 HD1 PHE 53 16.561 10.386 12.589 429 HE1 PHE 50 HE2 PHE 53 21.400 11.100 13.367 430 HE2 PHE 50 HE1 PHE 53 17.319 12.343 13.868 431 HZ PHE 50 HZ PHE 53 19.743 12.731 14.250 432 H GLN 51 H GLN 54 20.193 6.226 12.308 433 HA GLN 51 HA GLN 54 22.548 7.360 11.149 434 1HB GLN 51 1HB GLN 54 22.356 6.668 13.501 435 2HB GLN 51 2HB GLN 54 22.202 4.971 13.017 436 1HG GLN 51 1HG GLN 54 24.495 5.047 12.057 437 2HG GLN 51 2HG GLN 54 24.590 6.779 12.411 438 1HE2 GLN 51 1HE2 GLN 54 24.691 4.146 15.607 439 2HE2 GLN 51 2HE2 GLN 54 23.750 3.724 14.185 440 H GLU 52 H GLU 55 20.971 4.128 10.924 441 HA GLU 52 HA GLU 55 22.848 2.856 9.277 442 1HB GLU 52 1HB GLU 55 20.865 1.821 10.360 443 2HB GLU 52 2HB GLU 55 19.817 2.546 9.136 444 1HG GLU 52 1HG GLU 55 22.119 0.655 8.484 445 2HG GLU 52 2HG GLU 55 20.469 0.111 8.803 446 H LEU 53 H LEU 56 20.247 5.101 8.348 447 HA LEU 53 HA LEU 56 20.661 4.903 5.504 448 1HB LEU 53 1HB LEU 56 19.291 6.947 7.269 449 2HB LEU 53 2HB LEU 56 19.245 7.015 5.511 450 HG LEU 53 HG LEU 56 18.198 4.669 7.149 451 1HD1 LEU 53 1HD1 LEU 56 16.944 6.783 7.557 452 2HD1 LEU 53 2HD1 LEU 56 16.694 6.957 5.809 453 3HD1 LEU 53 3HD1 LEU 56 15.973 5.586 6.682 454 1HD2 LEU 53 1HD2 LEU 56 17.794 5.345 4.210 455 2HD2 LEU 53 2HD2 LEU 56 18.792 4.011 4.834 456 3HD2 LEU 53 3HD2 LEU 56 17.058 4.008 5.115 457 H ASP 54 H ASP 57 22.868 6.186 7.686 458 HA ASP 54 HA ASP 57 23.684 8.594 6.307 459 1HB ASP 54 1HB ASP 57 25.209 6.630 8.057 460 2HB ASP 54 2HB ASP 57 25.839 8.168 7.442 461 H LYS 55 H LYS 58 24.062 8.528 4.170 462 HA LYS 55 HA LYS 58 24.882 6.443 2.577 463 1HB LYS 55 1HB LYS 58 24.139 8.861 2.009 464 2HB LYS 55 2HB LYS 58 25.844 9.301 2.141 465 1HG LYS 55 1HG LYS 58 26.362 7.554 0.382 466 2HG LYS 55 2HG LYS 58 24.628 7.201 0.293 467 1HD LYS 55 1HD LYS 58 24.297 9.712 -0.240 468 2HD LYS 55 2HD LYS 58 26.053 9.806 -0.413 469 1HE LYS 55 1HE LYS 58 25.128 9.516 -2.610 470 2HE LYS 55 2HE LYS 58 25.852 7.956 -2.178 471 1HZ LYS 55 1HZ LYS 58 23.630 7.222 -1.565 472 2HZ LYS 55 2HZ LYS 58 23.004 8.685 -1.988 473 3HZ LYS 55 3HZ LYS 58 23.678 7.715 -3.135 474 H ASN 56 H ASN 59 26.957 8.713 4.368 475 HA ASN 56 HA ASN 59 29.400 7.154 3.645 476 1HB ASN 56 1HB ASN 59 29.053 9.762 3.379 477 2HB ASN 56 2HB ASN 59 29.447 9.783 5.103 478 1HD2 ASN 56 1HD2 ASN 59 32.873 8.589 4.439 479 2HD2 ASN 56 2HD2 ASN 59 31.548 8.296 5.567 480 H GLY 57 H GLY 60 27.269 6.395 5.756 481 1HA GLY 57 1HA GLY 60 27.207 5.478 7.824 482 2HA GLY 57 2HA GLY 60 28.926 5.172 7.606 483 H ASP 58 H ASP 61 27.839 8.554 7.775 484 HA ASP 58 HA ASP 61 28.234 8.758 10.651 485 1HB ASP 58 1HB ASP 61 30.581 8.586 9.929 486 2HB ASP 58 2HB ASP 61 30.334 9.885 8.750 487 H GLY 59 H GLY 62 26.060 9.563 10.260 488 1HA GLY 59 1HA GLY 62 24.507 11.262 10.116 489 2HA GLY 59 2HA GLY 62 25.857 12.334 10.493 490 H GLU 60 H GLU 63 24.507 10.519 7.690 491 HA GLU 60 HA GLU 63 24.565 12.928 6.007 492 1HB GLU 60 1HB GLU 63 26.323 10.490 5.484 493 2HB GLU 60 2HB GLU 63 25.871 11.647 4.228 494 1HG GLU 60 1HG GLU 63 26.850 13.504 5.710 495 2HG GLU 60 2HG GLU 63 27.634 12.208 6.626 496 H VAL 61 H VAL 64 22.206 12.161 6.443 497 HA VAL 61 HA VAL 64 21.434 9.881 4.685 498 HB VAL 61 HB VAL 64 19.834 11.762 6.442 499 1HG1 VAL 61 2HG1 VAL 64 18.946 9.325 4.832 500 2HG1 VAL 61 3HG1 VAL 64 17.957 10.132 6.066 501 3HG1 VAL 61 1HG1 VAL 64 18.408 10.999 4.594 502 1HG2 VAL 61 2HG2 VAL 64 21.257 10.143 7.705 503 2HG2 VAL 61 3HG2 VAL 64 19.537 9.748 7.874 504 3HG2 VAL 61 1HG2 VAL 64 20.564 8.824 6.766 505 H SER 62 H SER 65 21.870 10.439 2.662 506 HA SER 62 HA SER 65 21.348 13.061 1.602 507 1HB SER 62 1HB SER 65 22.135 12.195 -0.442 508 2HB SER 62 2HB SER 65 23.038 11.317 0.816 509 HG SER 62 HG SER 65 21.855 9.519 0.405 510 H PHE 63 H PHE 66 19.741 13.514 -0.169 511 HA PHE 63 HA PHE 66 17.139 12.849 0.610 512 1HB PHE 63 1HB PHE 66 17.827 14.702 -0.944 513 2HB PHE 63 2HB PHE 66 17.936 13.511 -2.238 514 HD1 PHE 63 HD2 PHE 66 15.577 14.766 0.432 515 HD2 PHE 63 HD1 PHE 66 15.946 13.103 -3.533 516 HE1 PHE 63 HE2 PHE 66 13.140 14.999 0.110 517 HE2 PHE 63 HE1 PHE 66 13.505 13.370 -3.859 518 HZ PHE 63 HZ PHE 66 12.095 14.322 -2.044 519 H GLU 64 H GLU 67 19.302 11.193 -1.610 520 HA GLU 64 HA GLU 67 17.614 9.291 -2.776 521 1HB GLU 64 1HB GLU 67 20.512 8.800 -1.969 522 2HB GLU 64 2HB GLU 67 19.578 8.013 -3.234 523 1HG GLU 64 1HG GLU 67 20.791 9.486 -4.504 524 2HG GLU 64 2HG GLU 67 19.355 10.474 -4.224 525 H GLU 65 H GLU 68 19.009 9.333 0.492 526 HA GLU 65 HA GLU 68 17.965 6.589 1.051 527 1HB GLU 65 1HB GLU 68 19.907 8.429 2.510 528 2HB GLU 65 2HB GLU 68 19.097 7.074 3.290 529 1HG GLU 65 1HG GLU 68 21.201 6.262 2.570 530 2HG GLU 65 2HG GLU 68 19.972 5.510 1.553 531 H PHE 66 H PHE 69 17.515 9.987 1.903 532 HA PHE 66 HA PHE 69 15.860 9.938 4.084 533 1HB PHE 66 1HB PHE 69 16.658 11.958 2.912 534 2HB PHE 66 2HB PHE 69 15.544 11.624 1.583 535 HD1 PHE 66 HD1 PHE 69 15.454 12.136 5.313 536 HD2 PHE 66 HD2 PHE 69 13.471 12.697 1.524 537 HE1 PHE 66 HE1 PHE 69 13.555 13.234 6.461 538 HE2 PHE 66 HE2 PHE 69 11.645 13.922 2.665 539 HZ PHE 66 HZ PHE 69 11.665 14.175 5.134 540 H GLN 67 H GLN 70 14.904 9.247 0.723 541 HA GLN 67 HA GLN 70 12.168 9.191 1.039 542 1HB GLN 67 1HB GLN 70 12.069 7.580 -0.866 543 2HB GLN 67 2HB GLN 70 12.957 9.081 -1.104 544 1HG GLN 67 1HG GLN 70 14.189 7.370 -2.175 545 2HG GLN 67 2HG GLN 70 15.101 7.906 -0.769 546 1HE2 GLN 67 1HE2 GLN 70 15.585 4.403 -0.290 547 2HE2 GLN 67 2HE2 GLN 70 16.307 5.913 -0.846 548 H VAL 68 H VAL 71 14.393 6.799 2.405 549 HA VAL 68 HA VAL 71 12.476 4.733 2.809 550 HB VAL 68 HB VAL 71 14.949 5.488 4.408 551 1HG1 VAL 68 2HG1 VAL 71 13.203 2.985 4.528 552 2HG1 VAL 68 3HG1 VAL 71 14.819 3.120 5.248 553 3HG1 VAL 68 1HG1 VAL 71 13.507 4.133 5.853 554 1HG2 VAL 68 1HG2 VAL 71 14.394 3.404 2.237 555 2HG2 VAL 68 2HG2 VAL 71 15.422 4.839 2.074 556 3HG2 VAL 68 3HG2 VAL 71 15.906 3.527 3.148 557 H LEU 69 H LEU 72 13.089 7.779 4.600 558 HA LEU 69 HA LEU 72 11.244 7.108 6.762 559 1HB LEU 69 1HB LEU 72 12.345 9.766 5.743 560 2HB LEU 69 2HB LEU 72 11.303 9.610 7.150 561 HG LEU 69 HG LEU 72 13.951 8.137 6.928 562 1HD1 LEU 69 2HD1 LEU 72 13.409 10.876 8.149 563 2HD1 LEU 69 3HD1 LEU 72 14.915 9.947 8.325 564 3HD1 LEU 69 1HD1 LEU 72 14.410 10.514 6.728 565 1HD2 LEU 69 1HD2 LEU 72 12.139 8.860 9.287 566 2HD2 LEU 69 2HD2 LEU 72 12.466 7.231 8.665 567 3HD2 LEU 69 3HD2 LEU 72 13.757 8.165 9.441 568 H VAL 70 H VAL 73 11.131 9.024 3.769 569 HA VAL 70 HA VAL 73 8.467 9.879 3.874 570 HB VAL 70 HB VAL 73 10.027 9.106 1.380 571 1HG1 VAL 70 2HG1 VAL 73 7.536 10.786 1.731 572 2HG1 VAL 70 3HG1 VAL 73 8.547 10.780 0.263 573 3HG1 VAL 70 1HG1 VAL 73 7.725 9.308 0.767 574 1HG2 VAL 70 1HG2 VAL 73 9.774 11.761 2.875 575 2HG2 VAL 70 2HG2 VAL 73 11.248 10.790 2.733 576 3HG2 VAL 70 3HG2 VAL 73 10.564 11.550 1.296 577 H LYS 71 H LYS 74 9.757 6.723 2.987 578 HA LYS 71 HA LYS 74 7.708 5.475 1.705 579 1HB LYS 71 1HB LYS 74 10.047 4.604 2.651 580 2HB LYS 71 2HB LYS 74 9.075 4.079 4.010 581 1HG LYS 71 1HG LYS 74 9.299 2.233 2.545 582 2HG LYS 71 2HG LYS 74 7.627 2.778 2.430 583 1HD LYS 71 1HD LYS 74 8.552 2.133 0.266 584 2HD LYS 71 2HD LYS 74 8.088 3.826 0.227 585 1HE LYS 71 1HE LYS 74 10.965 3.035 0.864 586 2HE LYS 71 2HE LYS 74 10.382 3.007 -0.803 587 1HZ LYS 71 2HZ LYS 74 10.333 5.390 0.909 588 2HZ LYS 71 3HZ LYS 74 11.414 5.056 -0.274 589 3HZ LYS 71 1HZ LYS 74 9.825 5.287 -0.655 590 H LYS 72 H LYS 75 7.779 6.217 5.232 591 HA LYS 72 HA LYS 75 5.131 4.880 5.512 592 1HB LYS 72 1HB LYS 75 5.341 5.206 7.891 593 2HB LYS 72 2HB LYS 75 6.610 4.232 7.162 594 1HG LYS 72 1HG LYS 75 7.546 5.547 8.892 595 2HG LYS 72 2HG LYS 75 8.212 6.096 7.358 596 1HD LYS 72 1HD LYS 75 6.784 8.083 7.410 597 2HD LYS 72 2HD LYS 75 5.851 7.441 8.776 598 1HE LYS 72 1HE LYS 75 7.395 9.164 9.549 599 2HE LYS 72 2HE LYS 75 7.892 7.598 10.209 600 1HZ LYS 72 2HZ LYS 75 9.043 8.872 7.824 601 2HZ LYS 72 3HZ LYS 75 9.718 8.902 9.329 602 3HZ LYS 72 1HZ LYS 75 9.555 7.474 8.519 603 H ILE 73 H ILE 76 6.283 7.983 4.757 604 HA ILE 73 HA ILE 76 4.070 9.479 5.957 605 HB ILE 73 HB ILE 76 5.969 10.314 3.725 606 1HG1 ILE 73 1HG1 ILE 76 7.300 9.639 5.692 607 2HG1 ILE 73 2HG1 ILE 76 7.419 11.359 5.319 608 1HG2 ILE 73 2HG2 ILE 76 4.238 11.937 5.622 609 2HG2 ILE 73 3HG2 ILE 76 5.463 12.610 4.523 610 3HG2 ILE 73 1HG2 ILE 76 4.053 11.769 3.868 611 1HD1 ILE 73 2HD1 ILE 76 5.657 10.192 7.503 612 2HD1 ILE 73 3HD1 ILE 76 7.304 10.827 7.698 613 3HD1 ILE 73 1HD1 ILE 76 5.995 11.915 7.187 614 H SER 74 H SER 77 5.047 8.213 2.750 615 HA SER 74 HA SER 77 2.367 8.919 1.711 616 1HB SER 74 1HB SER 77 4.860 7.953 0.264 617 2HB SER 74 2HB SER 77 3.287 8.238 -0.509 618 HG SER 74 HG SER 77 4.964 10.103 0.793 619 H GLN 75 H GLN 78 0.803 7.630 1.323 620 HA GLN 75 HA GLN 78 1.126 4.693 1.478 621 1HB GLN 75 1HB GLN 78 -0.912 6.248 3.127 622 2HB GLN 75 2HB GLN 78 -0.516 4.523 3.218 623 1HG GLN 75 1HG GLN 78 1.775 5.166 4.074 624 2HG GLN 75 2HG GLN 78 1.273 6.872 4.055 625 1HE2 GLN 75 1HE2 GLN 78 0.743 5.953 7.521 626 2HE2 GLN 75 2HE2 GLN 78 2.065 6.370 6.439 No H/Q in entry = 627 Start of MODEL 13 Raw file had 628 H/Q atoms Start of MODEL 13 No match found for entry 1H SER -2 No match found for entry 2H SER -2 No match found for entry 3H SER -2 No match found for entry HA SER -2 No match found for entry 1HB SER -2 No match found for entry 2HB SER -2 No match found for entry HG SER -2 No match found for entry H ALA -1 No match found for entry HA ALA -1 No match found for entry 1HB ALA -1 No match found for entry 2HB ALA -1 No match found for entry 3HB ALA -1 No match found for entry H GLN 0 No match found for entry HA GLN 0 No match found for entry 1HB GLN 0 No match found for entry 2HB GLN 0 No match found for entry 1HG GLN 0 No match found for entry 2HG GLN 0 No match found for entry 1HE2GLN 0 No match found for entry 2HE2GLN 0 No match found for entry H LYS 1 No match found for entry HA LYS 1 No match found for entry 1HB LYS 1 No match found for entry 2HB LYS 1 No match found for entry 1HG LYS 1 No match found for entry 2HG LYS 1 No match found for entry 1HD LYS 1 No match found for entry 2HD LYS 1 No match found for entry 1HE LYS 1 No match found for entry 2HE LYS 1 No match found for entry 1HZ LYS 1 No match found for entry 2HZ LYS 1 No match found for entry 3HZ LYS 1 No match found for entry H SER 2 No match found for entry HA SER 2 No match found for entry 1HB SER 2 No match found for entry 2HB SER 2 No match found for entry HG SER 2 No match found for entry HA PRO 3 No match found for entry 1HB PRO 3 No match found for entry 2HB PRO 3 No match found for entry 1HG PRO 3 No match found for entry 2HG PRO 3 No match found for entry 1HD PRO 3 No match found for entry 2HD PRO 3 No match found for entry H ALA 4 No match found for entry HA ALA 4 No match found for entry 1HB ALA 4 No match found for entry 2HB ALA 4 No match found for entry 3HB ALA 4 No match found for entry H GLU 5 No match found for entry HA GLU 5 No match found for entry 1HB GLU 5 No match found for entry 2HB GLU 5 No match found for entry 1HG GLU 5 No match found for entry 2HG GLU 5 No match found for entry H LEU 6 No match found for entry HA LEU 6 No match found for entry 1HB LEU 6 No match found for entry 2HB LEU 6 No match found for entry HG LEU 6 No match found for entry 1HD1LEU 6 No match found for entry 2HD1LEU 6 No match found for entry 3HD1LEU 6 No match found for entry 1HD2LEU 6 No match found for entry 2HD2LEU 6 No match found for entry 3HD2LEU 6 No match found for entry H LYS 7 No match found for entry HA LYS 7 No match found for entry 1HB LYS 7 No match found for entry 2HB LYS 7 No match found for entry 1HG LYS 7 No match found for entry 2HG LYS 7 No match found for entry 1HD LYS 7 No match found for entry 2HD LYS 7 No match found for entry 1HE LYS 7 No match found for entry 2HE LYS 7 No match found for entry 1HZ LYS 7 No match found for entry 2HZ LYS 7 No match found for entry 3HZ LYS 7 No match found for entry H SER 8 No match found for entry HA SER 8 No match found for entry 1HB SER 8 No match found for entry 2HB SER 8 No match found for entry HG SER 8 No match found for entry H ILE 9 No match found for entry HA ILE 9 No match found for entry HB ILE 9 No match found for entry 1HG1ILE 9 No match found for entry 2HG1ILE 9 No match found for entry 1HG2ILE 9 No match found for entry 2HG2ILE 9 No match found for entry 3HG2ILE 9 No match found for entry 1HD1ILE 9 No match found for entry 2HD1ILE 9 No match found for entry 3HD1ILE 9 No match found for entry H PHE 10 No match found for entry HA PHE 10 No match found for entry 1HB PHE 10 No match found for entry 2HB PHE 10 No match found for entry HD1PHE 10 No match found for entry HD2PHE 10 No match found for entry HE1PHE 10 No match found for entry HE2PHE 10 No match found for entry HZ PHE 10 No match found for entry H GLU 11 No match found for entry HA GLU 11 No match found for entry 1HB GLU 11 No match found for entry 2HB GLU 11 No match found for entry 1HG GLU 11 No match found for entry 2HG GLU 11 No match found for entry H LYS 12 No match found for entry HA LYS 12 No match found for entry 1HB LYS 12 No match found for entry 2HB LYS 12 No match found for entry 1HG LYS 12 No match found for entry 2HG LYS 12 No match found for entry 1HD LYS 12 No match found for entry 2HD LYS 12 No match found for entry 1HE LYS 12 No match found for entry 2HE LYS 12 No match found for entry 1HZ LYS 12 No match found for entry 2HZ LYS 12 No match found for entry 3HZ LYS 12 No match found for entry OH TYR 13 No match found for entry H TYR 13 No match found for entry HA TYR 13 No match found for entry 1HB TYR 13 No match found for entry 2HB TYR 13 No match found for entry HD1TYR 13 No match found for entry HD2TYR 13 No match found for entry HE1TYR 13 No match found for entry HE2TYR 13 No match found for entry HH TYR 13 No match found for entry H ALA 14 No match found for entry HA ALA 14 No match found for entry 1HB ALA 14 No match found for entry 2HB ALA 14 No match found for entry 3HB ALA 14 No match found for entry H ALA 15 No match found for entry HA ALA 15 No match found for entry 1HB ALA 15 No match found for entry 2HB ALA 15 No match found for entry 3HB ALA 15 No match found for entry H LYS 16 No match found for entry HA LYS 16 No match found for entry 1HB LYS 16 No match found for entry 2HB LYS 16 No match found for entry 1HG LYS 16 No match found for entry 2HG LYS 16 No match found for entry 1HD LYS 16 No match found for entry 2HD LYS 16 No match found for entry 1HE LYS 16 No match found for entry 2HE LYS 16 No match found for entry 1HZ LYS 16 No match found for entry 2HZ LYS 16 No match found for entry 3HZ LYS 16 No match found for entry H GLU 17 No match found for entry HA GLU 17 No match found for entry 1HB GLU 17 No match found for entry 2HB GLU 17 No match found for entry 1HG GLU 17 No match found for entry 2HG GLU 17 No match found for entry H GLY 18 No match found for entry 1HA GLY 18 No match found for entry 2HA GLY 18 No match found for entry H ASP 19 No match found for entry HA ASP 19 No match found for entry 1HB ASP 19 No match found for entry 2HB ASP 19 No match found for entry HA PRO 20 No match found for entry 1HB PRO 20 No match found for entry 2HB PRO 20 No match found for entry 1HG PRO 20 No match found for entry 2HG PRO 20 No match found for entry 1HD PRO 20 No match found for entry 2HD PRO 20 No match found for entry H ASN 21 No match found for entry HA ASN 21 No match found for entry 1HB ASN 21 No match found for entry 2HB ASN 21 No match found for entry 1HD2ASN 21 No match found for entry 2HD2ASN 21 No match found for entry H GLN 22 No match found for entry HA GLN 22 No match found for entry 1HB GLN 22 No match found for entry 2HB GLN 22 No match found for entry 1HG GLN 22 No match found for entry 2HG GLN 22 No match found for entry 1HE2GLN 22 No match found for entry 2HE2GLN 22 No match found for entry H LEU 23 No match found for entry HA LEU 23 No match found for entry 1HB LEU 23 No match found for entry 2HB LEU 23 No match found for entry HG LEU 23 No match found for entry 1HD1LEU 23 No match found for entry 2HD1LEU 23 No match found for entry 3HD1LEU 23 No match found for entry 1HD2LEU 23 No match found for entry 2HD2LEU 23 No match found for entry 3HD2LEU 23 No match found for entry H SER 24 No match found for entry HA SER 24 No match found for entry 1HB SER 24 No match found for entry 2HB SER 24 No match found for entry HG SER 24 No match found for entry H LYS 25 No match found for entry HA LYS 25 No match found for entry 1HB LYS 25 No match found for entry 2HB LYS 25 No match found for entry 1HG LYS 25 No match found for entry 2HG LYS 25 No match found for entry 1HD LYS 25 No match found for entry 2HD LYS 25 No match found for entry 1HE LYS 25 No match found for entry 2HE LYS 25 No match found for entry 1HZ LYS 25 No match found for entry 2HZ LYS 25 No match found for entry 3HZ LYS 25 No match found for entry H GLU 26 No match found for entry HA GLU 26 No match found for entry 1HB GLU 26 No match found for entry 2HB GLU 26 No match found for entry 1HG GLU 26 No match found for entry 2HG GLU 26 No match found for entry H GLU 27 No match found for entry HA GLU 27 No match found for entry 1HB GLU 27 No match found for entry 2HB GLU 27 No match found for entry 1HG GLU 27 No match found for entry 2HG GLU 27 No match found for entry H LEU 28 No match found for entry HA LEU 28 No match found for entry 1HB LEU 28 No match found for entry 2HB LEU 28 No match found for entry HG LEU 28 No match found for entry 1HD1LEU 28 No match found for entry 2HD1LEU 28 No match found for entry 3HD1LEU 28 No match found for entry 1HD2LEU 28 No match found for entry 2HD2LEU 28 No match found for entry 3HD2LEU 28 No match found for entry H LYS 29 No match found for entry HA LYS 29 No match found for entry 1HB LYS 29 No match found for entry 2HB LYS 29 No match found for entry 1HG LYS 29 No match found for entry 2HG LYS 29 No match found for entry 1HD LYS 29 No match found for entry 2HD LYS 29 No match found for entry 1HE LYS 29 No match found for entry 2HE LYS 29 No match found for entry 1HZ LYS 29 No match found for entry 2HZ LYS 29 No match found for entry 3HZ LYS 29 No match found for entry H GLN 30 No match found for entry HA GLN 30 No match found for entry 1HB GLN 30 No match found for entry 2HB GLN 30 No match found for entry 1HG GLN 30 No match found for entry 2HG GLN 30 No match found for entry 1HE2GLN 30 No match found for entry 2HE2GLN 30 No match found for entry H LEU 31 No match found for entry HA LEU 31 No match found for entry 1HB LEU 31 No match found for entry 2HB LEU 31 No match found for entry HG LEU 31 No match found for entry 1HD1LEU 31 No match found for entry 2HD1LEU 31 No match found for entry 3HD1LEU 31 No match found for entry 1HD2LEU 31 No match found for entry 2HD2LEU 31 No match found for entry 3HD2LEU 31 No match found for entry H ILE 32 No match found for entry HA ILE 32 No match found for entry HB ILE 32 No match found for entry 1HG1ILE 32 No match found for entry 2HG1ILE 32 No match found for entry 1HG2ILE 32 No match found for entry 2HG2ILE 32 No match found for entry 3HG2ILE 32 No match found for entry 1HD1ILE 32 No match found for entry 2HD1ILE 32 No match found for entry 3HD1ILE 32 No match found for entry H GLN 33 No match found for entry HA GLN 33 No match found for entry 1HB GLN 33 No match found for entry 2HB GLN 33 No match found for entry 1HG GLN 33 No match found for entry 2HG GLN 33 No match found for entry 1HE2GLN 33 No match found for entry 2HE2GLN 33 No match found for entry H ALA 34 No match found for entry HA ALA 34 No match found for entry 1HB ALA 34 No match found for entry 2HB ALA 34 No match found for entry 3HB ALA 34 No match found for entry H GLU 35 No match found for entry HA GLU 35 No match found for entry 1HB GLU 35 No match found for entry 2HB GLU 35 No match found for entry 1HG GLU 35 No match found for entry 2HG GLU 35 No match found for entry H PHE 36 No match found for entry HA PHE 36 No match found for entry 1HB PHE 36 No match found for entry 2HB PHE 36 No match found for entry HD1PHE 36 No match found for entry HD2PHE 36 No match found for entry HE1PHE 36 No match found for entry HE2PHE 36 No match found for entry HZ PHE 36 No match found for entry HA PRO 37 No match found for entry 1HB PRO 37 No match found for entry 2HB PRO 37 No match found for entry 1HG PRO 37 No match found for entry 2HG PRO 37 No match found for entry 1HD PRO 37 No match found for entry 2HD PRO 37 No match found for entry H SER 38 No match found for entry HA SER 38 No match found for entry 1HB SER 38 No match found for entry 2HB SER 38 No match found for entry HG SER 38 No match found for entry H LEU 39 No match found for entry HA LEU 39 No match found for entry 1HB LEU 39 No match found for entry 2HB LEU 39 No match found for entry HG LEU 39 No match found for entry 1HD1LEU 39 No match found for entry 2HD1LEU 39 No match found for entry 3HD1LEU 39 No match found for entry 1HD2LEU 39 No match found for entry 2HD2LEU 39 No match found for entry 3HD2LEU 39 No match found for entry H LEU 40 No match found for entry HA LEU 40 No match found for entry 1HB LEU 40 No match found for entry 2HB LEU 40 No match found for entry HG LEU 40 No match found for entry 1HD1LEU 40 No match found for entry 2HD1LEU 40 No match found for entry 3HD1LEU 40 No match found for entry 1HD2LEU 40 No match found for entry 2HD2LEU 40 No match found for entry 3HD2LEU 40 No match found for entry H LYS 41 No match found for entry HA LYS 41 No match found for entry 1HB LYS 41 No match found for entry 2HB LYS 41 No match found for entry 1HG LYS 41 No match found for entry 2HG LYS 41 No match found for entry 1HD LYS 41 No match found for entry 2HD LYS 41 No match found for entry 1HE LYS 41 No match found for entry 2HE LYS 41 No match found for entry 1HZ LYS 41 No match found for entry 2HZ LYS 41 No match found for entry 3HZ LYS 41 No match found for entry H GLY 42 No match found for entry 1HA GLY 42 No match found for entry 2HA GLY 42 No match found for entry HA PRO 43 No match found for entry 1HB PRO 43 No match found for entry 2HB PRO 43 No match found for entry 1HG PRO 43 No match found for entry 2HG PRO 43 No match found for entry 1HD PRO 43 No match found for entry 2HD PRO 43 No match found for entry NH1ARG 44 No match found for entry NH2ARG 44 No match found for entry H ARG 44 No match found for entry HA ARG 44 No match found for entry 1HB ARG 44 No match found for entry 2HB ARG 44 No match found for entry 1HG ARG 44 No match found for entry 2HG ARG 44 No match found for entry 1HD ARG 44 No match found for entry 2HD ARG 44 No match found for entry HE ARG 44 No match found for entry 1HH1ARG 44 No match found for entry 2HH1ARG 44 No match found for entry 1HH2ARG 44 No match found for entry 2HH2ARG 44 No match found for entry H THR 45 No match found for entry HA THR 45 No match found for entry HB THR 45 No match found for entry HG1THR 45 No match found for entry 1HG2THR 45 No match found for entry 2HG2THR 45 No match found for entry 3HG2THR 45 No match found for entry H LEU 46 No match found for entry HA LEU 46 No match found for entry 1HB LEU 46 No match found for entry 2HB LEU 46 No match found for entry HG LEU 46 No match found for entry 1HD1LEU 46 No match found for entry 2HD1LEU 46 No match found for entry 3HD1LEU 46 No match found for entry 1HD2LEU 46 No match found for entry 2HD2LEU 46 No match found for entry 3HD2LEU 46 No match found for entry H ASP 47 No match found for entry HA ASP 47 No match found for entry 1HB ASP 47 No match found for entry 2HB ASP 47 No match found for entry H ASP 48 No match found for entry HA ASP 48 No match found for entry 1HB ASP 48 No match found for entry 2HB ASP 48 No match found for entry H LEU 49 No match found for entry HA LEU 49 No match found for entry 1HB LEU 49 No match found for entry 2HB LEU 49 No match found for entry HG LEU 49 No match found for entry 1HD1LEU 49 No match found for entry 2HD1LEU 49 No match found for entry 3HD1LEU 49 No match found for entry 1HD2LEU 49 No match found for entry 2HD2LEU 49 No match found for entry 3HD2LEU 49 No match found for entry H PHE 50 No match found for entry HA PHE 50 No match found for entry 1HB PHE 50 No match found for entry 2HB PHE 50 No match found for entry HD1PHE 50 No match found for entry HD2PHE 50 No match found for entry HE1PHE 50 No match found for entry HE2PHE 50 No match found for entry HZ PHE 50 No match found for entry H GLN 51 No match found for entry HA GLN 51 No match found for entry 1HB GLN 51 No match found for entry 2HB GLN 51 No match found for entry 1HG GLN 51 No match found for entry 2HG GLN 51 No match found for entry 1HE2GLN 51 No match found for entry 2HE2GLN 51 No match found for entry H GLU 52 No match found for entry HA GLU 52 No match found for entry 1HB GLU 52 No match found for entry 2HB GLU 52 No match found for entry 1HG GLU 52 No match found for entry 2HG GLU 52 No match found for entry H LEU 53 No match found for entry HA LEU 53 No match found for entry 1HB LEU 53 No match found for entry 2HB LEU 53 No match found for entry HG LEU 53 No match found for entry 1HD1LEU 53 No match found for entry 2HD1LEU 53 No match found for entry 3HD1LEU 53 No match found for entry 1HD2LEU 53 No match found for entry 2HD2LEU 53 No match found for entry 3HD2LEU 53 No match found for entry H ASP 54 No match found for entry HA ASP 54 No match found for entry 1HB ASP 54 No match found for entry 2HB ASP 54 No match found for entry H LYS 55 No match found for entry HA LYS 55 No match found for entry 1HB LYS 55 No match found for entry 2HB LYS 55 No match found for entry 1HG LYS 55 No match found for entry 2HG LYS 55 No match found for entry 1HD LYS 55 No match found for entry 2HD LYS 55 No match found for entry 1HE LYS 55 No match found for entry 2HE LYS 55 No match found for entry 1HZ LYS 55 No match found for entry 2HZ LYS 55 No match found for entry 3HZ LYS 55 No match found for entry H ASN 56 No match found for entry HA ASN 56 No match found for entry 1HB ASN 56 No match found for entry 2HB ASN 56 No match found for entry 1HD2ASN 56 No match found for entry 2HD2ASN 56 No match found for entry H GLY 57 No match found for entry 1HA GLY 57 No match found for entry 2HA GLY 57 No match found for entry H ASP 58 No match found for entry HA ASP 58 No match found for entry 1HB ASP 58 No match found for entry 2HB ASP 58 No match found for entry H GLY 59 No match found for entry 1HA GLY 59 No match found for entry 2HA GLY 59 No match found for entry H GLU 60 No match found for entry HA GLU 60 No match found for entry 1HB GLU 60 No match found for entry 2HB GLU 60 No match found for entry 1HG GLU 60 No match found for entry 2HG GLU 60 No match found for entry H VAL 61 No match found for entry HA VAL 61 No match found for entry HB VAL 61 No match found for entry 1HG1VAL 61 No match found for entry 2HG1VAL 61 No match found for entry 3HG1VAL 61 No match found for entry 1HG2VAL 61 No match found for entry 2HG2VAL 61 No match found for entry 3HG2VAL 61 No match found for entry H SER 62 No match found for entry HA SER 62 No match found for entry 1HB SER 62 No match found for entry 2HB SER 62 No match found for entry HG SER 62 No match found for entry H PHE 63 No match found for entry HA PHE 63 No match found for entry 1HB PHE 63 No match found for entry 2HB PHE 63 No match found for entry HD1PHE 63 No match found for entry HD2PHE 63 No match found for entry HE1PHE 63 No match found for entry HE2PHE 63 No match found for entry HZ PHE 63 No match found for entry H GLU 64 No match found for entry HA GLU 64 No match found for entry 1HB GLU 64 No match found for entry 2HB GLU 64 No match found for entry 1HG GLU 64 No match found for entry 2HG GLU 64 No match found for entry H GLU 65 No match found for entry HA GLU 65 No match found for entry 1HB GLU 65 No match found for entry 2HB GLU 65 No match found for entry 1HG GLU 65 No match found for entry 2HG GLU 65 No match found for entry H PHE 66 No match found for entry HA PHE 66 No match found for entry 1HB PHE 66 No match found for entry 2HB PHE 66 No match found for entry HD1PHE 66 No match found for entry HD2PHE 66 No match found for entry HE1PHE 66 No match found for entry HE2PHE 66 No match found for entry HZ PHE 66 No match found for entry H GLN 67 No match found for entry HA GLN 67 No match found for entry 1HB GLN 67 No match found for entry 2HB GLN 67 No match found for entry 1HG GLN 67 No match found for entry 2HG GLN 67 No match found for entry 1HE2GLN 67 No match found for entry 2HE2GLN 67 No match found for entry H VAL 68 No match found for entry HA VAL 68 No match found for entry HB VAL 68 No match found for entry 1HG1VAL 68 No match found for entry 2HG1VAL 68 No match found for entry 3HG1VAL 68 No match found for entry 1HG2VAL 68 No match found for entry 2HG2VAL 68 No match found for entry 3HG2VAL 68 No match found for entry H LEU 69 No match found for entry HA LEU 69 No match found for entry 1HB LEU 69 No match found for entry 2HB LEU 69 No match found for entry HG LEU 69 No match found for entry 1HD1LEU 69 No match found for entry 2HD1LEU 69 No match found for entry 3HD1LEU 69 No match found for entry 1HD2LEU 69 No match found for entry 2HD2LEU 69 No match found for entry 3HD2LEU 69 No match found for entry H VAL 70 No match found for entry HA VAL 70 No match found for entry HB VAL 70 No match found for entry 1HG1VAL 70 No match found for entry 2HG1VAL 70 No match found for entry 3HG1VAL 70 No match found for entry 1HG2VAL 70 No match found for entry 2HG2VAL 70 No match found for entry 3HG2VAL 70 No match found for entry H LYS 71 No match found for entry HA LYS 71 No match found for entry 1HB LYS 71 No match found for entry 2HB LYS 71 No match found for entry 1HG LYS 71 No match found for entry 2HG LYS 71 No match found for entry 1HD LYS 71 No match found for entry 2HD LYS 71 No match found for entry 1HE LYS 71 No match found for entry 2HE LYS 71 No match found for entry 1HZ LYS 71 No match found for entry 2HZ LYS 71 No match found for entry 3HZ LYS 71 No match found for entry H LYS 72 No match found for entry HA LYS 72 No match found for entry 1HB LYS 72 No match found for entry 2HB LYS 72 No match found for entry 1HG LYS 72 No match found for entry 2HG LYS 72 No match found for entry 1HD LYS 72 No match found for entry 2HD LYS 72 No match found for entry 1HE LYS 72 No match found for entry 2HE LYS 72 No match found for entry 1HZ LYS 72 No match found for entry 2HZ LYS 72 No match found for entry 3HZ LYS 72 No match found for entry H ILE 73 No match found for entry HA ILE 73 No match found for entry HB ILE 73 No match found for entry 1HG1ILE 73 No match found for entry 2HG1ILE 73 No match found for entry 1HG2ILE 73 No match found for entry 2HG2ILE 73 No match found for entry 3HG2ILE 73 No match found for entry 1HD1ILE 73 No match found for entry 2HD1ILE 73 No match found for entry 3HD1ILE 73 No match found for entry H SER 74 No match found for entry HA SER 74 No match found for entry 1HB SER 74 No match found for entry 2HB SER 74 No match found for entry HG SER 74 No match found for entry H GLN 75 No match found for entry HA GLN 75 No match found for entry 1HB GLN 75 No match found for entry 2HB GLN 75 No match found for entry 1HG GLN 75 No match found for entry 2HG GLN 75 No match found for entry 1HE2GLN 75 No match found for entry 2HE2GLN 75 No H/Q in entry = 627 Start of MODEL 14 Raw file had 628 H/Q atoms No H/Q in entry = 627
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