NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
16227 | 1zu1 | 6655 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H ALA 2 1H ALA 2 -10.499 24.317 -14.963 2 HA ALA 2 HA ALA 2 -9.964 27.229 -14.586 3 1HB ALA 2 1HB ALA 2 -9.076 27.366 -16.874 4 2HB ALA 2 2HB ALA 2 -8.114 26.236 -15.908 5 3HB ALA 2 3HB ALA 2 -9.293 25.615 -17.086 6 H ASP 3 H ASP 3 -12.367 25.127 -14.853 7 HA ASP 3 HA ASP 3 -14.152 26.939 -16.428 8 1HB ASP 3 1HB ASP 3 -14.014 23.899 -16.553 9 2HB ASP 3 2HB ASP 3 -15.304 24.864 -17.260 10 H GLU 4 H GLU 4 -13.557 26.118 -13.413 11 HA GLU 4 HA GLU 4 -16.359 26.312 -12.521 12 1HB GLU 4 1HB GLU 4 -14.718 23.849 -12.306 13 2HB GLU 4 2HB GLU 4 -15.282 24.397 -10.748 14 1HG GLU 4 1HG GLU 4 -17.060 23.869 -13.159 15 2HG GLU 4 2HG GLU 4 -16.787 22.763 -11.818 16 H PHE 5 H PHE 5 -16.503 26.581 -10.191 17 HA PHE 5 HA PHE 5 -14.192 27.907 -8.856 18 1HB PHE 5 1HB PHE 5 -15.656 29.572 -10.067 19 2HB PHE 5 2HB PHE 5 -16.994 29.077 -9.044 20 HD1 PHE 5 HD1 PHE 5 -17.352 30.253 -7.002 21 HD2 PHE 5 HD2 PHE 5 -13.476 30.412 -8.890 22 HE1 PHE 5 HE1 PHE 5 -16.616 31.957 -5.352 23 HE2 PHE 5 HE2 PHE 5 -12.742 32.115 -7.234 24 HZ PHE 5 HZ PHE 5 -14.311 32.889 -5.464 25 H GLY 6 H GLY 6 -16.632 25.584 -8.692 26 1HA GLY 6 1HA GLY 6 -16.191 25.131 -5.820 27 2HA GLY 6 2HA GLY 6 -17.852 25.506 -6.284 28 H ASN 7 H ASN 7 -17.822 23.248 -5.163 29 HA ASN 7 HA ASN 7 -18.234 21.200 -7.223 30 1HB ASN 7 1HB ASN 7 -15.767 21.098 -6.545 31 2HB ASN 7 2HB ASN 7 -16.298 20.723 -4.908 32 1HD2 ASN 7 1HD2 ASN 7 -15.025 18.729 -5.156 33 2HD2 ASN 7 2HD2 ASN 7 -15.724 17.389 -6.055 34 H GLY 8 H GLY 8 -19.168 19.174 -6.195 35 1HA GLY 8 1HA GLY 8 -21.358 19.824 -4.386 36 2HA GLY 8 2HA GLY 8 -20.985 18.250 -5.086 37 H ASP 9 H ASP 9 -21.854 18.009 -2.663 38 HA ASP 9 HA ASP 9 -19.497 17.322 -0.990 39 1HB ASP 9 1HB ASP 9 -20.210 19.589 -0.300 40 2HB ASP 9 2HB ASP 9 -21.854 19.005 -0.046 41 H ALA 10 H ALA 10 -19.740 15.566 0.277 42 HA ALA 10 HA ALA 10 -22.285 14.280 0.881 43 1HB ALA 10 1HB ALA 10 -20.247 12.928 -0.961 44 2HB ALA 10 2HB ALA 10 -21.690 12.157 -0.268 45 3HB ALA 10 3HB ALA 10 -21.870 13.475 -1.437 46 H LEU 11 H LEU 11 -21.876 12.274 2.250 47 HA LEU 11 HA LEU 11 -19.215 12.051 3.477 48 1HB LEU 11 1HB LEU 11 -20.549 13.947 4.649 49 2HB LEU 11 2HB LEU 11 -21.646 12.687 5.196 50 HG LEU 11 HG LEU 11 -19.496 11.542 6.182 51 1HD1 LEU 11 1HD1 LEU 11 -17.674 13.062 6.745 52 2HD1 LEU 11 2HD1 LEU 11 -17.873 13.062 4.982 53 3HD1 LEU 11 3HD1 LEU 11 -18.495 14.414 5.933 54 1HD2 LEU 11 1HD2 LEU 11 -19.633 12.909 8.229 55 2HD2 LEU 11 2HD2 LEU 11 -20.510 14.175 7.336 56 3HD2 LEU 11 3HD2 LEU 11 -21.243 12.573 7.574 57 H ASP 12 H ASP 12 -18.794 10.009 3.807 58 HA ASP 12 HA ASP 12 -20.864 8.058 4.662 59 1HB ASP 12 1HB ASP 12 -20.308 6.478 3.021 60 2HB ASP 12 2HB ASP 12 -20.551 7.983 2.152 61 H LEU 13 H LEU 13 -18.399 9.521 5.758 62 HA LEU 13 HA LEU 13 -16.381 7.588 6.476 63 1HB LEU 13 1HB LEU 13 -17.157 10.418 7.318 64 2HB LEU 13 2HB LEU 13 -15.900 9.555 8.165 65 HG LEU 13 HG LEU 13 -14.611 9.285 6.064 66 1HD1 LEU 13 1HD1 LEU 13 -16.798 11.053 4.894 67 2HD1 LEU 13 2HD1 LEU 13 -15.193 10.885 4.168 68 3HD1 LEU 13 3HD1 LEU 13 -16.237 9.472 4.294 69 1HD2 LEU 13 1HD2 LEU 13 -15.394 12.128 6.813 70 2HD2 LEU 13 2HD2 LEU 13 -14.185 11.116 7.638 71 3HD2 LEU 13 3HD2 LEU 13 -13.894 11.651 5.980 72 HA PRO 14 HA PRO 14 -18.087 5.901 10.266 73 1HB PRO 14 1HB PRO 14 -15.941 5.772 11.971 74 2HB PRO 14 2HB PRO 14 -16.097 4.712 10.535 75 1HG PRO 14 1HG PRO 14 -14.571 7.329 10.757 76 2HG PRO 14 2HG PRO 14 -13.965 5.766 10.149 77 1HD PRO 14 1HD PRO 14 -14.852 7.660 8.450 78 2HD PRO 14 2HD PRO 14 -15.265 5.949 8.156 79 H VAL 15 H VAL 15 -18.795 6.539 12.369 80 HA VAL 15 HA VAL 15 -18.131 9.287 13.318 81 HB VAL 15 HB VAL 15 -20.981 8.266 12.993 82 1HG1 VAL 15 1HG1 VAL 15 -20.706 9.715 14.982 83 2HG1 VAL 15 2HG1 VAL 15 -19.878 10.937 13.990 84 3HG1 VAL 15 3HG1 VAL 15 -21.593 10.563 13.716 85 1HG2 VAL 15 1HG2 VAL 15 -19.494 10.468 11.496 86 2HG2 VAL 15 2HG2 VAL 15 -20.114 8.952 10.806 87 3HG2 VAL 15 3HG2 VAL 15 -21.244 10.165 11.406 88 H GLY 16 H GLY 16 -17.240 8.930 15.194 89 1HA GLY 16 1HA GLY 16 -17.304 8.551 17.502 90 2HA GLY 16 2HA GLY 16 -18.680 7.469 17.330 91 H LYS 17 H LYS 17 -16.677 6.849 19.005 92 HA LYS 17 HA LYS 17 -14.487 5.333 18.088 93 1HB LYS 17 1HB LYS 17 -14.704 6.200 20.341 94 2HB LYS 17 2HB LYS 17 -16.097 5.160 20.666 95 1HG LYS 17 1HG LYS 17 -14.739 3.170 20.597 96 2HG LYS 17 2HG LYS 17 -13.337 4.064 19.981 97 1HD LYS 17 1HD LYS 17 -13.154 5.316 22.077 98 2HD LYS 17 2HD LYS 17 -14.632 4.541 22.705 99 1HE LYS 17 1HE LYS 17 -13.560 2.331 22.558 100 2HE LYS 17 2HE LYS 17 -12.101 3.076 21.862 101 1HZ LYS 17 1HZ LYS 17 -11.995 2.604 24.304 102 2HZ LYS 17 2HZ LYS 17 -11.609 4.118 23.875 103 3HZ LYS 17 3HZ LYS 17 -13.084 3.801 24.562 104 H ASP 18 H ASP 18 -17.798 4.168 18.657 105 HA ASP 18 HA ASP 18 -17.243 1.379 18.341 106 1HB ASP 18 1HB ASP 18 -19.762 2.984 17.743 107 2HB ASP 18 2HB ASP 18 -19.675 1.224 17.750 108 H ALA 19 H ALA 19 -18.107 3.864 15.882 109 HA ALA 19 HA ALA 19 -18.129 2.029 13.657 110 1HB ALA 19 1HB ALA 19 -19.275 4.217 13.603 111 2HB ALA 19 2HB ALA 19 -17.704 5.047 13.730 112 3HB ALA 19 3HB ALA 19 -18.083 4.073 12.291 113 H VAL 20 H VAL 20 -15.589 4.202 15.013 114 HA VAL 20 HA VAL 20 -13.602 3.588 13.021 115 HB VAL 20 HB VAL 20 -13.330 4.598 15.876 116 1HG1 VAL 20 1HG1 VAL 20 -11.005 5.321 15.067 117 2HG1 VAL 20 2HG1 VAL 20 -11.203 3.597 15.389 118 3HG1 VAL 20 3HG1 VAL 20 -11.226 4.193 13.716 119 1HG2 VAL 20 1HG2 VAL 20 -13.082 5.984 13.163 120 2HG2 VAL 20 2HG2 VAL 20 -14.459 6.137 14.273 121 3HG2 VAL 20 3HG2 VAL 20 -12.874 6.748 14.755 122 H ASN 21 H ASN 21 -14.216 2.067 16.252 123 HA ASN 21 HA ASN 21 -12.087 0.148 16.023 124 1HB ASN 21 1HB ASN 21 -14.697 0.201 17.591 125 2HB ASN 21 2HB ASN 21 -13.584 -1.160 17.671 126 1HD2 ASN 21 1HD2 ASN 21 -14.197 0.143 19.980 127 2HD2 ASN 21 2HD2 ASN 21 -12.769 1.016 20.517 128 H SER 22 H SER 22 -15.527 -0.027 14.964 129 HA SER 22 HA SER 22 -15.402 -2.731 14.000 130 1HB SER 22 1HB SER 22 -17.133 -0.428 13.004 131 2HB SER 22 2HB SER 22 -17.375 -2.149 12.659 132 HG SER 22 HG SER 22 -17.576 -0.791 15.147 133 H LEU 23 H LEU 23 -14.784 0.398 12.341 134 HA LEU 23 HA LEU 23 -14.232 -0.650 9.759 135 1HB LEU 23 1HB LEU 23 -14.730 1.737 10.366 136 2HB LEU 23 2HB LEU 23 -13.157 1.845 11.150 137 HG LEU 23 HG LEU 23 -12.064 1.419 8.921 138 1HD1 LEU 23 1HD1 LEU 23 -13.950 0.283 7.760 139 2HD1 LEU 23 2HD1 LEU 23 -14.915 1.767 7.878 140 3HD1 LEU 23 3HD1 LEU 23 -13.443 1.730 6.882 141 1HD2 LEU 23 1HD2 LEU 23 -12.538 3.675 8.045 142 2HD2 LEU 23 2HD2 LEU 23 -14.008 3.756 9.046 143 3HD2 LEU 23 3HD2 LEU 23 -12.401 3.704 9.811 144 H ILE 24 H ILE 24 -12.061 -0.095 12.545 145 HA ILE 24 HA ILE 24 -9.614 -0.865 11.245 146 HB ILE 24 HB ILE 24 -10.493 -0.843 14.154 147 1HG1 ILE 24 1HG1 ILE 24 -8.414 0.905 12.767 148 2HG1 ILE 24 2HG1 ILE 24 -10.112 1.348 12.814 149 1HG2 ILE 24 1HG2 ILE 24 -8.774 -2.569 14.021 150 2HG2 ILE 24 2HG2 ILE 24 -7.765 -1.525 13.002 151 3HG2 ILE 24 3HG2 ILE 24 -8.044 -1.135 14.716 152 1HD1 ILE 24 1HD1 ILE 24 -9.054 2.491 14.629 153 2HD1 ILE 24 2HD1 ILE 24 -10.036 1.208 15.343 154 3HD1 ILE 24 3HD1 ILE 24 -8.271 1.021 15.216 155 H ARG 25 H ARG 25 -11.944 -2.786 13.234 156 HA ARG 25 HA ARG 25 -10.545 -5.291 12.955 157 1HB ARG 25 1HB ARG 25 -13.308 -4.450 13.833 158 2HB ARG 25 2HB ARG 25 -13.065 -6.132 13.384 159 1HG ARG 25 1HG ARG 25 -12.777 -5.915 15.749 160 2HG ARG 25 2HG ARG 25 -11.258 -6.394 14.994 161 1HD ARG 25 1HD ARG 25 -10.443 -4.043 15.165 162 2HD ARG 25 2HD ARG 25 -11.955 -3.581 15.946 163 HE ARG 25 HE ARG 25 -9.712 -5.086 17.104 164 1HH1 ARG 25 1HH1 ARG 25 -13.076 -4.234 17.608 165 2HH1 ARG 25 2HH1 ARG 25 -12.984 -4.530 19.323 166 1HH2 ARG 25 1HH2 ARG 25 -9.674 -5.453 19.289 167 2HH2 ARG 25 2HH2 ARG 25 -11.107 -5.203 20.241 168 H GLU 26 H GLU 26 -13.146 -3.903 10.947 169 HA GLU 26 HA GLU 26 -13.347 -6.217 9.209 170 1HB GLU 26 1HB GLU 26 -14.266 -3.328 8.951 171 2HB GLU 26 2HB GLU 26 -14.561 -4.548 7.709 172 1HG GLU 26 1HG GLU 26 -15.735 -5.982 9.345 173 2HG GLU 26 2HG GLU 26 -15.507 -4.769 10.598 174 H ASN 27 H ASN 27 -10.935 -3.779 9.365 175 HA ASN 27 HA ASN 27 -9.845 -4.607 6.710 176 1HB ASN 27 1HB ASN 27 -9.966 -1.785 7.825 177 2HB ASN 27 2HB ASN 27 -9.160 -2.253 6.335 178 1HD2 ASN 27 1HD2 ASN 27 -12.221 -1.572 7.822 179 2HD2 ASN 27 2HD2 ASN 27 -13.164 -1.656 6.324 180 H SER 28 H SER 28 -9.154 -5.716 9.246 181 HA SER 28 HA SER 28 -6.971 -4.647 10.582 182 1HB SER 28 1HB SER 28 -6.499 -6.945 11.311 183 2HB SER 28 2HB SER 28 -8.224 -6.544 11.387 184 HG SER 28 HG SER 28 -7.858 -8.609 10.438 185 H HIS 29 H HIS 29 -6.871 -5.901 7.361 186 HA HIS 29 HA HIS 29 -4.035 -6.549 7.264 187 1HB HIS 29 1HB HIS 29 -4.455 -6.817 4.878 188 2HB HIS 29 2HB HIS 29 -5.666 -7.663 5.827 189 HD2 HIS 29 HD2 HIS 29 -5.559 -5.872 2.763 190 HE1 HIS 29 HE1 HIS 29 -9.323 -4.617 4.324 191 HE2 HIS 29 HE2 HIS 29 -7.875 -4.734 2.235 192 H ILE 30 H ILE 30 -5.847 -3.584 6.981 193 HA ILE 30 HA ILE 30 -3.379 -2.123 6.121 194 HB ILE 30 HB ILE 30 -4.809 -0.561 4.852 195 1HG1 ILE 30 1HG1 ILE 30 -6.988 -2.668 5.169 196 2HG1 ILE 30 2HG1 ILE 30 -6.983 -1.079 5.930 197 1HG2 ILE 30 1HG2 ILE 30 -3.464 -2.359 3.798 198 2HG2 ILE 30 2HG2 ILE 30 -4.896 -3.406 3.804 199 3HG2 ILE 30 3HG2 ILE 30 -4.883 -1.908 2.852 200 1HD1 ILE 30 1HD1 ILE 30 -7.026 -0.021 3.666 201 2HD1 ILE 30 2HD1 ILE 30 -7.178 -1.645 2.949 202 3HD1 ILE 30 3HD1 ILE 30 -8.442 -1.025 4.021 203 H PHE 31 H PHE 31 -6.052 -2.176 8.332 204 HA PHE 31 HA PHE 31 -5.139 0.424 9.529 205 1HB PHE 31 1HB PHE 31 -7.900 -0.840 9.617 206 2HB PHE 31 2HB PHE 31 -7.436 0.669 10.373 207 HD1 PHE 31 HD1 PHE 31 -5.858 1.586 7.637 208 HD2 PHE 31 HD2 PHE 31 -9.831 0.300 8.698 209 HE1 PHE 31 HE1 PHE 31 -6.763 2.718 5.634 210 HE2 PHE 31 HE2 PHE 31 -10.735 1.436 6.686 211 HZ PHE 31 HZ PHE 31 -9.199 2.621 5.135 212 H SER 32 H SER 32 -5.008 0.457 11.782 213 HA SER 32 HA SER 32 -5.629 -1.944 13.372 214 1HB SER 32 1HB SER 32 -3.437 -2.320 14.211 215 2HB SER 32 2HB SER 32 -3.327 -2.354 12.446 216 HG SER 32 HG SER 32 -2.605 -0.184 12.528 217 H ASP 33 H ASP 33 -5.068 -1.577 15.699 218 HA ASP 33 HA ASP 33 -6.343 0.735 16.717 219 1HB ASP 33 1HB ASP 33 -6.136 -1.549 17.747 220 2HB ASP 33 2HB ASP 33 -4.444 -1.202 18.104 221 H THR 34 H THR 34 -3.051 0.449 15.655 222 HA THR 34 HA THR 34 -2.440 3.097 16.815 223 HB THR 34 HB THR 34 -1.706 1.339 18.386 224 HG1 THR 34 HG1 THR 34 -0.730 3.461 18.172 225 1HG2 THR 34 1HG2 THR 34 -0.890 -0.323 16.720 226 2HG2 THR 34 2HG2 THR 34 0.438 0.780 16.300 227 3HG2 THR 34 3HG2 THR 34 0.340 0.086 17.935 228 H GLN 35 H GLN 35 -2.663 1.629 13.946 229 HA GLN 35 HA GLN 35 -0.840 3.522 12.707 230 1HB GLN 35 1HB GLN 35 0.683 1.576 13.323 231 2HB GLN 35 2HB GLN 35 -0.308 0.535 12.307 232 1HG GLN 35 1HG GLN 35 0.330 1.917 10.314 233 2HG GLN 35 2HG GLN 35 1.277 2.965 11.376 234 1HE2 GLN 35 1HE2 GLN 35 3.417 2.537 10.746 235 2HE2 GLN 35 2HE2 GLN 35 4.081 0.912 10.689 236 H CYS 36 H CYS 36 -1.347 3.971 10.612 237 HA CYS 36 HA CYS 36 -3.484 2.348 9.231 238 1HB CYS 36 1HB CYS 36 -4.331 4.573 9.897 239 2HB CYS 36 2HB CYS 36 -2.948 5.340 9.108 240 H LYS 37 H LYS 37 -2.520 1.209 7.602 241 HA LYS 37 HA LYS 37 0.104 1.919 6.515 242 1HB LYS 37 1HB LYS 37 -1.912 -0.135 5.513 243 2HB LYS 37 2HB LYS 37 -0.206 -0.013 5.070 244 1HG LYS 37 1HG LYS 37 0.388 -0.416 7.511 245 2HG LYS 37 2HG LYS 37 -1.335 -0.737 7.807 246 1HD LYS 37 1HD LYS 37 -1.199 -2.444 5.895 247 2HD LYS 37 2HD LYS 37 0.558 -2.237 5.960 248 1HE LYS 37 1HE LYS 37 0.626 -3.037 8.263 249 2HE LYS 37 2HE LYS 37 -1.140 -3.007 8.375 250 1HZ LYS 37 1HZ LYS 37 -1.238 -4.738 6.682 251 2HZ LYS 37 2HZ LYS 37 0.398 -4.798 6.574 252 3HZ LYS 37 3HZ LYS 37 -0.344 -5.257 7.955 253 H VAL 38 H VAL 38 -3.228 2.282 5.334 254 HA VAL 38 HA VAL 38 -2.693 2.986 2.629 255 HB VAL 38 HB VAL 38 -4.913 3.901 4.502 256 1HG1 VAL 38 1HG1 VAL 38 -4.626 4.313 1.503 257 2HG1 VAL 38 2HG1 VAL 38 -6.163 4.426 2.383 258 3HG1 VAL 38 3HG1 VAL 38 -4.873 5.554 2.761 259 1HG2 VAL 38 1HG2 VAL 38 -6.244 2.249 3.192 260 2HG2 VAL 38 2HG2 VAL 38 -4.777 1.791 2.303 261 3HG2 VAL 38 3HG2 VAL 38 -4.898 1.495 4.049 262 H CYS 39 H CYS 39 -2.746 5.057 5.535 263 HA CYS 39 HA CYS 39 -1.738 7.394 4.019 264 1HB CYS 39 1HB CYS 39 -2.717 7.036 6.859 265 2HB CYS 39 2HB CYS 39 -2.310 8.560 6.076 266 H SER 40 H SER 40 -0.341 4.748 5.342 267 HA SER 40 HA SER 40 1.481 4.161 6.545 268 1HB SER 40 1HB SER 40 2.587 6.126 4.497 269 2HB SER 40 2HB SER 40 3.614 5.054 5.468 270 HG SER 40 HG SER 40 1.441 4.007 3.977 271 H ALA 41 H ALA 41 0.287 5.461 8.273 272 HA ALA 41 HA ALA 41 2.264 7.239 9.650 273 1HB ALA 41 1HB ALA 41 0.583 8.658 8.536 274 2HB ALA 41 2HB ALA 41 -0.726 7.758 9.337 275 3HB ALA 41 3HB ALA 41 0.406 8.733 10.299 276 H VAL 42 H VAL 42 2.374 7.116 11.811 277 HA VAL 42 HA VAL 42 1.114 4.794 13.143 278 HB VAL 42 HB VAL 42 3.284 6.721 14.101 279 1HG1 VAL 42 1HG1 VAL 42 2.365 4.056 15.277 280 2HG1 VAL 42 2HG1 VAL 42 3.796 4.971 15.791 281 3HG1 VAL 42 3HG1 VAL 42 2.196 5.655 16.039 282 1HG2 VAL 42 1HG2 VAL 42 3.488 3.878 13.002 283 2HG2 VAL 42 2HG2 VAL 42 4.060 5.353 12.187 284 3HG2 VAL 42 3HG2 VAL 42 4.830 4.822 13.680 285 H LEU 43 H LEU 43 -0.027 4.943 15.025 286 HA LEU 43 HA LEU 43 -1.407 7.509 15.701 287 1HB LEU 43 1HB LEU 43 -2.583 4.709 15.489 288 2HB LEU 43 2HB LEU 43 -3.469 6.177 15.855 289 HG LEU 43 HG LEU 43 -2.064 5.629 13.193 290 1HD1 LEU 43 1HD1 LEU 43 -3.925 4.065 13.569 291 2HD1 LEU 43 2HD1 LEU 43 -5.018 5.433 13.827 292 3HD1 LEU 43 3HD1 LEU 43 -4.241 5.206 12.255 293 1HD2 LEU 43 1HD2 LEU 43 -3.398 7.504 12.362 294 2HD2 LEU 43 2HD2 LEU 43 -4.064 7.785 13.989 295 3HD2 LEU 43 3HD2 LEU 43 -2.339 8.042 13.665 296 H ILE 44 H ILE 44 0.396 7.555 17.250 297 HA ILE 44 HA ILE 44 1.007 5.670 19.174 298 HB ILE 44 HB ILE 44 2.090 7.435 20.411 299 1HG1 ILE 44 1HG1 ILE 44 0.391 9.232 20.182 300 2HG1 ILE 44 2HG1 ILE 44 2.059 9.720 19.948 301 1HG2 ILE 44 1HG2 ILE 44 3.205 6.445 18.498 302 2HG2 ILE 44 2HG2 ILE 44 2.535 7.676 17.413 303 3HG2 ILE 44 3HG2 ILE 44 3.666 8.142 18.695 304 1HD1 ILE 44 1HD1 ILE 44 0.653 10.915 18.411 305 2HD1 ILE 44 2HD1 ILE 44 1.682 9.823 17.479 306 3HD1 ILE 44 3HD1 ILE 44 -0.035 9.426 17.760 307 H SER 45 H SER 45 -1.953 7.372 19.229 308 HA SER 45 HA SER 45 -2.639 6.131 21.782 309 1HB SER 45 1HB SER 45 -1.694 8.443 22.362 310 2HB SER 45 2HB SER 45 -3.095 9.121 21.503 311 HG SER 45 HG SER 45 -3.448 8.843 23.779 312 H GLU 46 H GLU 46 -4.947 6.183 22.178 313 HA GLU 46 HA GLU 46 -6.557 5.636 19.883 314 1HB GLU 46 1HB GLU 46 -6.966 4.684 22.071 315 2HB GLU 46 2HB GLU 46 -7.368 6.276 22.742 316 1HG GLU 46 1HG GLU 46 -9.359 6.440 21.460 317 2HG GLU 46 2HG GLU 46 -8.849 5.180 20.332 318 H SER 47 H SER 47 -6.148 8.745 21.677 319 HA SER 47 HA SER 47 -8.338 10.071 20.375 320 1HB SER 47 1HB SER 47 -7.138 12.162 21.001 321 2HB SER 47 2HB SER 47 -7.441 11.037 22.336 322 HG SER 47 HG SER 47 -5.308 11.794 22.439 323 H GLN 48 H GLN 48 -4.916 9.643 19.395 324 HA GLN 48 HA GLN 48 -5.201 11.236 16.961 325 1HB GLN 48 1HB GLN 48 -3.106 9.231 17.898 326 2HB GLN 48 2HB GLN 48 -3.135 9.856 16.253 327 1HG GLN 48 1HG GLN 48 -1.629 11.252 17.392 328 2HG GLN 48 2HG GLN 48 -3.083 12.203 17.160 329 1HE2 GLN 48 1HE2 GLN 48 -3.831 13.279 19.025 330 2HE2 GLN 48 2HE2 GLN 48 -3.380 12.795 20.653 331 H LYS 49 H LYS 49 -5.531 7.736 17.734 332 HA LYS 49 HA LYS 49 -6.000 6.903 15.026 333 1HB LYS 49 1HB LYS 49 -5.934 4.886 15.989 334 2HB LYS 49 2HB LYS 49 -5.815 5.656 17.559 335 1HG LYS 49 1HG LYS 49 -8.308 5.629 17.726 336 2HG LYS 49 2HG LYS 49 -8.376 4.764 16.183 337 1HD LYS 49 1HD LYS 49 -7.189 2.856 17.227 338 2HD LYS 49 2HD LYS 49 -7.069 3.763 18.757 339 1HE LYS 49 1HE LYS 49 -9.605 4.092 18.587 340 2HE LYS 49 2HE LYS 49 -9.579 2.878 17.285 341 1HZ LYS 49 1HZ LYS 49 -10.039 1.614 19.108 342 2HZ LYS 49 2HZ LYS 49 -8.394 1.476 19.151 343 3HZ LYS 49 3HZ LYS 49 -9.175 2.512 20.169 344 H LEU 50 H LEU 50 -8.300 7.897 17.532 345 HA LEU 50 HA LEU 50 -10.669 7.592 15.960 346 1HB LEU 50 1HB LEU 50 -10.005 9.290 18.409 347 2HB LEU 50 2HB LEU 50 -11.621 9.224 17.707 348 HG LEU 50 HG LEU 50 -10.129 6.781 18.768 349 1HD1 LEU 50 1HD1 LEU 50 -10.764 8.340 20.582 350 2HD1 LEU 50 2HD1 LEU 50 -12.444 8.329 19.995 351 3HD1 LEU 50 3HD1 LEU 50 -11.708 6.838 20.632 352 1HD2 LEU 50 1HD2 LEU 50 -11.751 6.129 17.080 353 2HD2 LEU 50 2HD2 LEU 50 -12.330 5.695 18.678 354 3HD2 LEU 50 3HD2 LEU 50 -13.004 7.127 17.855 355 H ALA 51 H ALA 51 -8.512 10.439 16.341 356 HA ALA 51 HA ALA 51 -10.168 12.100 14.633 357 1HB ALA 51 1HB ALA 51 -7.217 12.322 15.419 358 2HB ALA 51 2HB ALA 51 -8.200 13.608 14.683 359 3HB ALA 51 3HB ALA 51 -8.586 13.022 16.313 360 H HIS 52 H HIS 52 -7.264 10.063 13.976 361 HA HIS 52 HA HIS 52 -6.957 10.870 11.267 362 1HB HIS 52 1HB HIS 52 -5.262 9.697 12.661 363 2HB HIS 52 2HB HIS 52 -6.209 8.211 12.546 364 HD1 HIS 52 HD1 HIS 52 -3.579 10.144 10.707 365 HD2 HIS 52 HD2 HIS 52 -6.526 7.255 9.863 366 HE1 HIS 52 HE1 HIS 52 -3.018 9.176 8.395 367 H TYR 53 H TYR 53 -8.697 7.940 12.565 368 HA TYR 53 HA TYR 53 -9.526 7.112 9.934 369 1HB TYR 53 1HB TYR 53 -10.515 6.356 12.691 370 2HB TYR 53 2HB TYR 53 -11.086 5.600 11.207 371 HD1 TYR 53 HD1 TYR 53 -8.862 5.066 13.822 372 HD2 TYR 53 HD2 TYR 53 -9.032 4.910 9.526 373 HE1 TYR 53 HE1 TYR 53 -6.914 3.522 13.803 374 HE2 TYR 53 HE2 TYR 53 -7.067 3.381 9.506 375 HH TYR 53 HH TYR 53 -5.525 2.282 12.547 376 H GLN 54 H GLN 54 -10.852 9.589 11.952 377 HA GLN 54 HA GLN 54 -13.379 9.672 10.355 378 1HB GLN 54 1HB GLN 54 -12.564 11.135 12.893 379 2HB GLN 54 2HB GLN 54 -14.103 11.338 12.048 380 1HG GLN 54 1HG GLN 54 -14.653 8.956 12.401 381 2HG GLN 54 2HG GLN 54 -13.122 8.719 13.249 382 1HE2 GLN 54 1HE2 GLN 54 -12.776 10.064 15.234 383 2HE2 GLN 54 2HE2 GLN 54 -14.198 10.427 16.227 384 H SER 55 H SER 55 -10.265 10.973 10.198 385 HA SER 55 HA SER 55 -10.781 13.690 9.472 386 1HB SER 55 1HB SER 55 -8.568 12.927 10.149 387 2HB SER 55 2HB SER 55 -8.469 11.856 8.736 388 HG SER 55 HG SER 55 -7.443 14.024 8.591 389 H ARG 56 H ARG 56 -11.018 14.712 7.558 390 HA ARG 56 HA ARG 56 -12.229 13.351 5.296 391 1HB ARG 56 1HB ARG 56 -11.087 16.167 5.466 392 2HB ARG 56 2HB ARG 56 -12.155 15.552 4.203 393 1HG ARG 56 1HG ARG 56 -12.868 15.842 7.148 394 2HG ARG 56 2HG ARG 56 -13.355 16.936 5.852 395 1HD ARG 56 1HD ARG 56 -14.643 15.111 4.788 396 2HD ARG 56 2HD ARG 56 -14.165 14.006 6.075 397 HE ARG 56 HE ARG 56 -16.144 16.171 6.215 398 1HH1 ARG 56 1HH1 ARG 56 -14.285 13.918 8.200 399 2HH1 ARG 56 2HH1 ARG 56 -15.337 14.139 9.556 400 1HH2 ARG 56 1HH2 ARG 56 -17.426 16.377 8.003 401 2HH2 ARG 56 2HH2 ARG 56 -17.065 15.478 9.446 402 H LYS 57 H LYS 57 -8.929 14.317 6.075 403 HA LYS 57 HA LYS 57 -7.790 13.943 3.426 404 1HB LYS 57 1HB LYS 57 -6.480 13.750 6.180 405 2HB LYS 57 2HB LYS 57 -5.625 13.837 4.646 406 1HG LYS 57 1HG LYS 57 -7.388 16.024 5.832 407 2HG LYS 57 2HG LYS 57 -5.623 15.987 5.802 408 1HD LYS 57 1HD LYS 57 -5.727 15.932 3.274 409 2HD LYS 57 2HD LYS 57 -7.468 16.216 3.378 410 1HE LYS 57 1HE LYS 57 -5.307 18.039 4.532 411 2HE LYS 57 2HE LYS 57 -6.086 18.272 2.967 412 1HZ LYS 57 1HZ LYS 57 -7.490 18.334 5.585 413 2HZ LYS 57 2HZ LYS 57 -7.148 19.626 4.654 414 3HZ LYS 57 3HZ LYS 57 -8.218 18.515 4.128 415 H HIS 58 H HIS 58 -8.115 11.777 6.242 416 HA HIS 58 HA HIS 58 -6.861 9.461 5.092 417 1HB HIS 58 1HB HIS 58 -7.249 9.569 7.458 418 2HB HIS 58 2HB HIS 58 -8.980 9.816 7.237 419 HD2 HIS 58 HD2 HIS 58 -10.527 7.716 6.806 420 HE1 HIS 58 HE1 HIS 58 -7.541 4.696 7.163 421 HE2 HIS 58 HE2 HIS 58 -10.046 5.132 6.999 422 H ALA 59 H ALA 59 -10.333 10.463 5.128 423 HA ALA 59 HA ALA 59 -11.332 8.239 3.694 424 1HB ALA 59 1HB ALA 59 -12.681 9.879 4.929 425 2HB ALA 59 2HB ALA 59 -12.327 11.123 3.709 426 3HB ALA 59 3HB ALA 59 -13.265 9.678 3.264 427 H ASN 60 H ASN 60 -10.067 11.352 2.388 428 HA ASN 60 HA ASN 60 -10.531 10.676 -0.391 429 1HB ASN 60 1HB ASN 60 -8.762 12.700 1.052 430 2HB ASN 60 2HB ASN 60 -8.647 12.465 -0.689 431 1HD2 ASN 60 1HD2 ASN 60 -10.780 13.660 1.885 432 2HD2 ASN 60 2HD2 ASN 60 -11.887 14.444 0.760 433 H LYS 61 H LYS 61 -7.673 10.209 1.754 434 HA LYS 61 HA LYS 61 -5.979 9.049 -0.238 435 1HB LYS 61 1HB LYS 61 -5.743 9.724 2.470 436 2HB LYS 61 2HB LYS 61 -5.616 7.977 2.505 437 1HG LYS 61 1HG LYS 61 -3.944 9.876 0.793 438 2HG LYS 61 2HG LYS 61 -3.450 9.158 2.330 439 1HD LYS 61 1HD LYS 61 -3.674 6.885 1.307 440 2HD LYS 61 2HD LYS 61 -3.998 7.642 -0.265 441 1HE LYS 61 1HE LYS 61 -1.835 8.714 -0.293 442 2HE LYS 61 2HE LYS 61 -1.539 8.294 1.400 443 1HZ LYS 61 1HZ LYS 61 -1.759 6.298 -0.787 444 2HZ LYS 61 2HZ LYS 61 -0.358 6.792 -0.101 445 3HZ LYS 61 3HZ LYS 61 -1.455 5.976 0.800 446 H VAL 62 H VAL 62 -8.319 7.505 1.988 447 HA VAL 62 HA VAL 62 -7.884 4.794 1.116 448 HB VAL 62 HB VAL 62 -10.268 6.157 2.412 449 1HG1 VAL 62 1HG1 VAL 62 -9.878 3.184 1.835 450 2HG1 VAL 62 2HG1 VAL 62 -11.098 3.861 2.936 451 3HG1 VAL 62 3HG1 VAL 62 -11.183 4.222 1.214 452 1HG2 VAL 62 1HG2 VAL 62 -8.248 4.133 3.482 453 2HG2 VAL 62 2HG2 VAL 62 -8.166 5.877 3.780 454 3HG2 VAL 62 3HG2 VAL 62 -9.535 4.947 4.394 455 H ARG 63 H ARG 63 -10.171 7.310 -0.103 456 HA ARG 63 HA ARG 63 -11.432 5.649 -2.063 457 1HB ARG 63 1HB ARG 63 -12.161 7.924 -1.267 458 2HB ARG 63 2HB ARG 63 -10.901 8.632 -2.292 459 1HG ARG 63 1HG ARG 63 -11.958 7.563 -4.298 460 2HG ARG 63 2HG ARG 63 -13.164 6.807 -3.242 461 1HD ARG 63 1HD ARG 63 -14.191 8.723 -4.205 462 2HD ARG 63 2HD ARG 63 -13.883 9.079 -2.503 463 HE ARG 63 HE ARG 63 -12.286 10.098 -4.845 464 1HH1 ARG 63 1HH1 ARG 63 -13.395 10.687 -1.554 465 2HH1 ARG 63 2HH1 ARG 63 -12.480 12.183 -1.470 466 1HH2 ARG 63 1HH2 ARG 63 -11.185 12.036 -4.586 467 2HH2 ARG 63 2HH2 ARG 63 -11.265 12.848 -3.034 468 H ARG 64 H ARG 64 -8.478 7.651 -2.323 469 HA ARG 64 HA ARG 64 -7.909 6.983 -5.101 470 1HB ARG 64 1HB ARG 64 -6.101 7.949 -2.832 471 2HB ARG 64 2HB ARG 64 -5.576 7.775 -4.503 472 1HG ARG 64 1HG ARG 64 -7.793 9.652 -3.569 473 2HG ARG 64 2HG ARG 64 -6.118 10.105 -3.895 474 1HD ARG 64 1HD ARG 64 -6.413 9.321 -6.262 475 2HD ARG 64 2HD ARG 64 -8.131 9.028 -5.909 476 HE ARG 64 HE ARG 64 -7.444 11.705 -5.163 477 1HH1 ARG 64 1HH1 ARG 64 -7.945 9.856 -8.098 478 2HH1 ARG 64 2HH1 ARG 64 -8.397 11.265 -9.016 479 1HH2 ARG 64 1HH2 ARG 64 -8.015 13.463 -6.399 480 2HH2 ARG 64 2HH2 ARG 64 -8.435 13.249 -8.072 481 H TYR 65 H TYR 65 -6.681 5.609 -2.024 482 HA TYR 65 HA TYR 65 -5.015 3.620 -3.174 483 1HB TYR 65 1HB TYR 65 -4.901 4.241 -0.839 484 2HB TYR 65 2HB TYR 65 -6.552 3.709 -0.552 485 HD1 TYR 65 HD1 TYR 65 -7.081 1.413 -0.117 486 HD2 TYR 65 HD2 TYR 65 -3.101 2.530 -1.347 487 HE1 TYR 65 HE1 TYR 65 -6.277 -0.888 0.408 488 HE2 TYR 65 HE2 TYR 65 -2.296 0.229 -0.813 489 HH TYR 65 HH TYR 65 -4.490 -2.328 0.399 490 H MET 66 H MET 66 -8.503 3.383 -2.269 491 HA MET 66 HA MET 66 -8.866 0.661 -3.018 492 1HB MET 66 1HB MET 66 -10.744 3.040 -2.801 493 2HB MET 66 2HB MET 66 -11.322 1.451 -3.320 494 1HG MET 66 1HG MET 66 -9.776 1.894 -0.747 495 2HG MET 66 2HG MET 66 -11.535 1.903 -0.841 496 1HE MET 66 1HE MET 66 -9.703 -1.529 0.725 497 2HE MET 66 2HE MET 66 -8.733 -0.106 0.283 498 3HE MET 66 3HE MET 66 -10.235 0.097 1.221 499 H ALA 67 H ALA 67 -9.036 3.645 -5.014 500 HA ALA 67 HA ALA 67 -9.953 2.319 -7.404 501 1HB ALA 67 1HB ALA 67 -8.445 4.949 -7.058 502 2HB ALA 67 2HB ALA 67 -9.335 4.426 -8.500 503 3HB ALA 67 3HB ALA 67 -10.209 4.743 -6.989 504 H ILE 68 H ILE 68 -6.704 3.046 -6.112 505 HA ILE 68 HA ILE 68 -5.212 2.121 -8.426 506 HB ILE 68 HB ILE 68 -4.461 2.642 -5.524 507 1HG1 ILE 68 1HG1 ILE 68 -3.739 4.222 -8.036 508 2HG1 ILE 68 2HG1 ILE 68 -5.165 4.578 -7.080 509 1HG2 ILE 68 1HG2 ILE 68 -2.844 1.006 -6.393 510 2HG2 ILE 68 2HG2 ILE 68 -2.602 1.987 -7.856 511 3HG2 ILE 68 3HG2 ILE 68 -2.076 2.575 -6.265 512 1HD1 ILE 68 1HD1 ILE 68 -3.723 4.967 -5.071 513 2HD1 ILE 68 2HD1 ILE 68 -2.293 4.795 -6.118 514 3HD1 ILE 68 3HD1 ILE 68 -3.452 6.098 -6.409 515 H ASN 69 H ASN 69 -6.339 0.568 -5.446 516 HA ASN 69 HA ASN 69 -4.959 -1.923 -5.761 517 1HB ASN 69 1HB ASN 69 -5.711 -0.865 -3.613 518 2HB ASN 69 2HB ASN 69 -7.383 -1.198 -4.068 519 1HD2 ASN 69 1HD2 ASN 69 -7.763 -2.588 -2.280 520 2HD2 ASN 69 2HD2 ASN 69 -6.966 -4.149 -2.147 521 H GLN 70 H GLN 70 -6.043 -1.602 -8.214 522 HA GLN 70 HA GLN 70 -8.052 -3.811 -8.449 523 1HB GLN 70 1HB GLN 70 -8.047 -1.196 -10.011 524 2HB GLN 70 2HB GLN 70 -9.127 -2.566 -10.292 525 1HG GLN 70 1HG GLN 70 -10.026 -2.302 -7.964 526 2HG GLN 70 2HG GLN 70 -9.047 -0.838 -7.789 527 1HE2 GLN 70 1HE2 GLN 70 -9.440 0.932 -9.448 528 2HE2 GLN 70 2HE2 GLN 70 -11.095 1.101 -10.051 529 H GLY 71 H GLY 71 -4.928 -2.943 -9.199 530 1HA GLY 71 1HA GLY 71 -4.472 -5.093 -10.993 531 2HA GLY 71 2HA GLY 71 -4.596 -3.608 -11.940 532 H GLU 72 H GLU 72 -2.288 -4.662 -12.280 533 HA GLU 72 HA GLU 72 -0.363 -2.946 -10.880 534 1HB GLU 72 1HB GLU 72 -0.543 -5.008 -9.480 535 2HB GLU 72 2HB GLU 72 -0.084 -5.982 -10.872 536 1HG GLU 72 1HG GLU 72 1.769 -5.647 -9.294 537 2HG GLU 72 2HG GLU 72 2.153 -4.999 -10.875 538 H ASP 73 H ASP 73 1.710 -2.862 -11.944 539 HA ASP 73 HA ASP 73 1.548 -2.966 -14.847 540 1HB ASP 73 1HB ASP 73 2.764 -1.304 -13.135 541 2HB ASP 73 2HB ASP 73 4.106 -2.420 -13.353 542 H SER 74 H SER 74 3.828 -3.747 -15.934 543 HA SER 74 HA SER 74 3.771 -6.625 -15.913 544 1HB SER 74 1HB SER 74 5.790 -4.684 -17.107 545 2HB SER 74 2HB SER 74 5.708 -6.423 -17.450 546 HG SER 74 HG SER 74 4.587 -5.187 -19.029 547 H VAL 75 H VAL 75 5.146 -8.129 -15.097 548 HA VAL 75 HA VAL 75 7.516 -7.370 -13.465 549 HB VAL 75 HB VAL 75 5.353 -9.310 -12.526 550 1HG1 VAL 75 1HG1 VAL 75 6.541 -9.318 -10.384 551 2HG1 VAL 75 2HG1 VAL 75 7.621 -9.869 -11.657 552 3HG1 VAL 75 3HG1 VAL 75 7.769 -8.212 -11.021 553 1HG2 VAL 75 1HG2 VAL 75 4.913 -7.669 -10.693 554 2HG2 VAL 75 2HG2 VAL 75 5.943 -6.491 -11.533 555 3HG2 VAL 75 3HG2 VAL 75 4.441 -7.074 -12.279 556 HA PRO 76 HA PRO 76 9.072 -10.660 -16.030 557 1HB PRO 76 1HB PRO 76 11.366 -11.451 -14.696 558 2HB PRO 76 2HB PRO 76 11.198 -9.950 -15.653 559 1HG PRO 76 1HG PRO 76 10.892 -10.295 -12.658 560 2HG PRO 76 2HG PRO 76 11.832 -9.059 -13.558 561 1HD PRO 76 1HD PRO 76 9.373 -8.504 -12.598 562 2HD PRO 76 2HD PRO 76 9.880 -7.894 -14.196 563 H ALA 77 H ALA 77 7.933 -11.399 -12.899 564 HA ALA 77 HA ALA 77 8.420 -14.206 -12.693 565 1HB ALA 77 1HB ALA 77 7.939 -12.605 -10.819 566 2HB ALA 77 2HB ALA 77 6.274 -12.447 -11.414 567 3HB ALA 77 3HB ALA 77 6.862 -14.011 -10.812 568 H LYS 78 H LYS 78 7.422 -13.710 -15.289 569 HA LYS 78 HA LYS 78 4.720 -14.090 -15.891 570 1HB LYS 78 1HB LYS 78 7.175 -15.118 -17.367 571 2HB LYS 78 2HB LYS 78 5.570 -14.933 -18.077 572 1HG LYS 78 1HG LYS 78 5.636 -12.515 -17.784 573 2HG LYS 78 2HG LYS 78 7.175 -12.591 -16.939 574 1HD LYS 78 1HD LYS 78 6.681 -13.340 -19.840 575 2HD LYS 78 2HD LYS 78 7.477 -11.881 -19.266 576 1HE LYS 78 1HE LYS 78 8.521 -14.736 -18.945 577 2HE LYS 78 2HE LYS 78 9.065 -13.564 -20.137 578 1HZ LYS 78 1HZ LYS 78 10.570 -13.601 -18.271 579 2HZ LYS 78 2HZ LYS 78 9.841 -12.147 -18.308 580 3HZ LYS 78 3HZ LYS 78 9.399 -13.270 -17.188 581 H LYS 79 H LYS 79 7.128 -16.642 -15.345 582 HA LYS 79 HA LYS 79 5.034 -18.687 -14.832 583 1HB LYS 79 1HB LYS 79 7.231 -18.970 -16.941 584 2HB LYS 79 2HB LYS 79 6.245 -20.305 -16.336 585 1HG LYS 79 1HG LYS 79 4.188 -19.118 -17.136 586 2HG LYS 79 2HG LYS 79 5.220 -17.898 -17.896 587 1HD LYS 79 1HD LYS 79 5.261 -20.874 -18.548 588 2HD LYS 79 2HD LYS 79 4.407 -19.628 -19.470 589 1HE LYS 79 1HE LYS 79 6.582 -18.456 -19.873 590 2HE LYS 79 2HE LYS 79 7.425 -19.766 -19.033 591 1HZ LYS 79 1HZ LYS 79 7.431 -20.110 -21.436 592 2HZ LYS 79 2HZ LYS 79 6.573 -21.304 -20.729 593 3HZ LYS 79 3HZ LYS 79 5.803 -20.089 -21.504 594 H PHE 80 H PHE 80 5.934 -20.670 -13.926 595 HA PHE 80 HA PHE 80 8.648 -20.665 -12.811 596 1HB PHE 80 1HB PHE 80 7.426 -19.252 -11.200 597 2HB PHE 80 2HB PHE 80 6.162 -20.464 -11.055 598 HD1 PHE 80 HD1 PHE 80 9.905 -20.131 -10.669 599 HD2 PHE 80 HD2 PHE 80 6.268 -21.958 -9.232 600 HE1 PHE 80 HE1 PHE 80 11.161 -21.208 -8.829 601 HE2 PHE 80 HE2 PHE 80 7.540 -23.041 -7.396 602 HZ PHE 80 HZ PHE 80 9.993 -22.665 -7.188 603 H LYS 81 H LYS 81 9.207 -22.668 -11.821 604 HA LYS 81 HA LYS 81 7.374 -24.930 -11.734 605 1HB LYS 81 1HB LYS 81 8.543 -26.380 -13.315 606 2HB LYS 81 2HB LYS 81 7.809 -24.992 -14.104 607 1HG LYS 81 1HG LYS 81 10.035 -23.887 -14.268 608 2HG LYS 81 2HG LYS 81 10.774 -25.253 -13.424 609 1HD LYS 81 1HD LYS 81 11.196 -25.480 -15.773 610 2HD LYS 81 2HD LYS 81 10.105 -26.773 -15.257 611 1HE LYS 81 1HE LYS 81 8.170 -25.508 -16.171 612 2HE LYS 81 2HE LYS 81 9.246 -24.184 -16.636 613 1HZ LYS 81 1HZ LYS 81 8.791 -25.666 -18.509 614 2HZ LYS 81 2HZ LYS 81 10.379 -25.728 -18.146 615 3HZ LYS 81 3HZ LYS 81 9.391 -26.954 -17.710 616 H ALA 82 H ALA 82 10.725 -23.805 -11.384 617 HA ALA 82 HA ALA 82 11.060 -25.322 -8.916 618 1HB ALA 82 1HB ALA 82 13.062 -26.554 -9.730 619 2HB ALA 82 2HB ALA 82 11.619 -27.040 -10.630 620 3HB ALA 82 3HB ALA 82 12.790 -25.925 -11.369 621 H ALA 83 H ALA 83 13.196 -24.844 -7.905 622 HA ALA 83 HA ALA 83 14.564 -22.381 -8.828 623 1HB ALA 83 1HB ALA 83 12.758 -21.633 -7.312 624 2HB ALA 83 2HB ALA 83 13.307 -22.775 -6.069 625 3HB ALA 83 3HB ALA 83 14.329 -21.405 -6.538 626 HA PRO 84 HA PRO 84 18.144 -24.601 -7.338 627 1HB PRO 84 1HB PRO 84 19.987 -22.626 -7.015 628 2HB PRO 84 2HB PRO 84 19.308 -23.041 -8.618 629 1HG PRO 84 1HG PRO 84 18.396 -20.840 -6.734 630 2HG PRO 84 2HG PRO 84 18.821 -20.689 -8.472 631 1HD PRO 84 1HD PRO 84 16.242 -20.998 -7.645 632 2HD PRO 84 2HD PRO 84 16.833 -21.769 -9.143 633 H ALA 85 H ALA 85 16.394 -22.567 -5.226 634 HA ALA 85 HA ALA 85 17.702 -23.719 -2.834 635 1HB ALA 85 1HB ALA 85 17.171 -20.735 -3.228 636 2HB ALA 85 2HB ALA 85 17.786 -21.508 -1.749 637 3HB ALA 85 3HB ALA 85 18.773 -21.509 -3.220 638 H GLU 86 H GLU 86 16.377 -23.596 -0.920 639 HA GLU 86 HA GLU 86 13.484 -23.848 -1.533 640 1HB GLU 86 1HB GLU 86 15.107 -24.676 0.904 641 2HB GLU 86 2HB GLU 86 13.410 -25.053 0.634 642 1HG GLU 86 1HG GLU 86 15.760 -26.061 -1.017 643 2HG GLU 86 2HG GLU 86 14.825 -26.978 0.152 644 H ILE 87 H ILE 87 15.251 -21.277 -0.555 645 HA ILE 87 HA ILE 87 14.006 -20.318 1.800 646 HB ILE 87 HB ILE 87 14.964 -18.581 -0.501 647 1HG1 ILE 87 1HG1 ILE 87 16.822 -20.009 -0.025 648 2HG1 ILE 87 2HG1 ILE 87 17.136 -18.420 0.646 649 1HG2 ILE 87 1HG2 ILE 87 13.708 -17.325 1.183 650 2HG2 ILE 87 2HG2 ILE 87 14.668 -18.040 2.493 651 3HG2 ILE 87 3HG2 ILE 87 15.421 -16.936 1.324 652 1HD1 ILE 87 1HD1 ILE 87 17.905 -20.185 2.162 653 2HD1 ILE 87 2HD1 ILE 87 16.597 -19.271 2.929 654 3HD1 ILE 87 3HD1 ILE 87 16.280 -20.883 2.243 655 H SER 88 H SER 88 11.994 -19.790 2.236 656 HA SER 88 HA SER 88 10.180 -18.653 0.139 657 1HB SER 88 1HB SER 88 9.457 -20.871 2.092 658 2HB SER 88 2HB SER 88 8.363 -20.093 0.937 659 HG SER 88 HG SER 88 10.660 -21.675 0.350 660 H ASP 89 H ASP 89 11.448 -18.236 3.239 661 HA ASP 89 HA ASP 89 9.329 -16.266 3.977 662 1HB ASP 89 1HB ASP 89 10.546 -18.407 5.773 663 2HB ASP 89 2HB ASP 89 9.582 -17.057 6.360 664 H GLY 90 H GLY 90 12.278 -16.284 2.924 665 1HA GLY 90 1HA GLY 90 13.771 -14.868 5.029 666 2HA GLY 90 2HA GLY 90 14.330 -15.279 3.415 667 H GLU 91 H GLU 91 15.157 -12.991 4.048 668 HA GLU 91 HA GLU 91 13.399 -10.939 2.767 669 1HB GLU 91 1HB GLU 91 13.724 -10.858 5.334 670 2HB GLU 91 2HB GLU 91 15.363 -10.309 4.981 671 1HG GLU 91 1HG GLU 91 14.418 -8.348 3.758 672 2HG GLU 91 2HG GLU 91 12.790 -8.982 3.995 673 H ASP 92 H ASP 92 15.803 -12.764 1.946 674 HA ASP 92 HA ASP 92 17.983 -11.029 1.246 675 1HB ASP 92 1HB ASP 92 18.076 -13.519 1.626 676 2HB ASP 92 2HB ASP 92 17.220 -13.754 0.104 677 H ARG 93 H ARG 93 18.674 -10.328 -0.816 678 HA ARG 93 HA ARG 93 16.707 -9.136 -2.525 679 1HB ARG 93 1HB ARG 93 19.619 -9.721 -3.173 680 2HB ARG 93 2HB ARG 93 18.601 -8.522 -3.958 681 1HG ARG 93 1HG ARG 93 19.479 -8.394 -1.034 682 2HG ARG 93 2HG ARG 93 20.305 -7.620 -2.365 683 1HD ARG 93 1HD ARG 93 18.943 -5.997 -1.152 684 2HD ARG 93 2HD ARG 93 18.435 -6.164 -2.829 685 HE ARG 93 HE ARG 93 16.369 -6.828 -2.146 686 1HH1 ARG 93 1HH1 ARG 93 18.374 -7.209 0.745 687 2HH1 ARG 93 2HH1 ARG 93 17.084 -8.071 1.570 688 1HH2 ARG 93 1HH2 ARG 93 14.910 -8.046 -1.004 689 2HH2 ARG 93 2HH2 ARG 93 15.245 -8.451 0.665 690 H SER 94 H SER 94 18.133 -12.308 -2.688 691 HA SER 94 HA SER 94 17.322 -12.857 -5.423 692 1HB SER 94 1HB SER 94 17.876 -15.163 -4.888 693 2HB SER 94 2HB SER 94 19.158 -14.071 -4.358 694 HG SER 94 HG SER 94 18.511 -14.288 -2.270 695 H LYS 95 H LYS 95 15.420 -12.511 -2.620 696 HA LYS 95 HA LYS 95 13.178 -14.098 -3.849 697 1HB LYS 95 1HB LYS 95 14.009 -13.919 -0.929 698 2HB LYS 95 2HB LYS 95 12.465 -14.562 -1.455 699 1HG LYS 95 1HG LYS 95 15.199 -15.705 -2.185 700 2HG LYS 95 2HG LYS 95 14.111 -16.313 -0.954 701 1HD LYS 95 1HD LYS 95 13.637 -16.375 -3.961 702 2HD LYS 95 2HD LYS 95 13.973 -17.727 -2.877 703 1HE LYS 95 1HE LYS 95 11.809 -16.942 -1.613 704 2HE LYS 95 2HE LYS 95 11.453 -16.051 -3.097 705 1HZ LYS 95 1HZ LYS 95 11.827 -18.974 -2.788 706 2HZ LYS 95 2HZ LYS 95 10.440 -18.220 -3.189 707 3HZ LYS 95 3HZ LYS 95 11.663 -18.264 -4.274 708 H CYS 96 H CYS 96 14.057 -11.043 -2.295 709 HA CYS 96 HA CYS 96 11.400 -10.053 -3.079 710 1HB CYS 96 1HB CYS 96 10.796 -9.224 -0.866 711 2HB CYS 96 2HB CYS 96 11.072 -10.970 -0.785 712 HG CYS 96 HG CYS 96 13.640 -10.735 -0.051 713 H CYS 97 H CYS 97 11.085 -7.757 -2.809 714 HA CYS 97 HA CYS 97 13.576 -6.120 -2.787 715 1HB CYS 97 1HB CYS 97 13.112 -6.566 -5.119 716 2HB CYS 97 2HB CYS 97 11.421 -6.089 -4.911 717 HA PRO 98 HA PRO 98 10.498 -4.085 -0.088 718 1HB PRO 98 1HB PRO 98 12.180 -2.506 1.381 719 2HB PRO 98 2HB PRO 98 12.041 -4.273 1.627 720 1HG PRO 98 1HG PRO 98 14.120 -2.782 -0.006 721 2HG PRO 98 2HG PRO 98 14.388 -4.056 1.228 722 1HD PRO 98 1HD PRO 98 14.322 -4.605 -1.440 723 2HD PRO 98 2HD PRO 98 13.667 -5.754 -0.234 724 H VAL 99 H VAL 99 12.676 -2.526 -2.378 725 HA VAL 99 HA VAL 99 11.677 0.171 -2.141 726 HB VAL 99 HB VAL 99 12.724 -1.146 -4.679 727 1HG1 VAL 99 1HG1 VAL 99 11.631 1.087 -4.998 728 2HG1 VAL 99 2HG1 VAL 99 12.715 1.767 -3.767 729 3HG1 VAL 99 3HG1 VAL 99 13.371 1.141 -5.292 730 1HG2 VAL 99 1HG2 VAL 99 14.932 -0.168 -4.045 731 2HG2 VAL 99 2HG2 VAL 99 14.269 0.253 -2.452 732 3HG2 VAL 99 3HG2 VAL 99 14.427 -1.450 -2.939 733 H CYS 100 H CYS 100 10.676 -2.635 -4.068 734 HA CYS 100 HA CYS 100 8.291 -1.240 -5.151 735 1HB CYS 100 1HB CYS 100 9.350 -4.065 -5.579 736 2HB CYS 100 2HB CYS 100 8.098 -3.241 -6.495 737 H ASN 101 H ASN 101 9.156 -3.354 -2.618 738 HA ASN 101 HA ASN 101 8.177 -4.611 -1.079 739 1HB ASN 101 1HB ASN 101 7.033 -2.466 -0.537 740 2HB ASN 101 2HB ASN 101 5.686 -2.937 -1.577 741 1HD2 ASN 101 1HD2 ASN 101 4.158 -2.958 0.151 742 2HD2 ASN 101 2HD2 ASN 101 4.229 -4.185 1.408 743 H MET 102 H MET 102 8.606 -6.001 -3.044 744 HA MET 102 HA MET 102 6.248 -7.788 -3.507 745 1HB MET 102 1HB MET 102 8.254 -6.931 -5.637 746 2HB MET 102 2HB MET 102 6.980 -8.138 -5.835 747 1HG MET 102 1HG MET 102 5.326 -6.269 -5.217 748 2HG MET 102 2HG MET 102 6.665 -5.157 -5.504 749 1HE MET 102 1HE MET 102 7.406 -5.960 -9.368 750 2HE MET 102 2HE MET 102 7.996 -5.091 -7.934 751 3HE MET 102 3HE MET 102 8.117 -6.865 -8.019 752 H THR 103 H THR 103 6.878 -9.913 -4.378 753 HA THR 103 HA THR 103 9.509 -10.932 -3.420 754 HB THR 103 HB THR 103 8.379 -13.005 -2.721 755 HG1 THR 103 HG1 THR 103 6.125 -12.965 -2.486 756 1HG2 THR 103 1HG2 THR 103 7.187 -10.573 -1.317 757 2HG2 THR 103 2HG2 THR 103 7.408 -12.202 -0.643 758 3HG2 THR 103 3HG2 THR 103 8.819 -11.213 -1.041 759 H PHE 104 H PHE 104 10.193 -12.921 -4.420 760 HA PHE 104 HA PHE 104 9.138 -13.381 -7.180 761 1HB PHE 104 1HB PHE 104 12.083 -13.337 -6.475 762 2HB PHE 104 2HB PHE 104 11.345 -13.352 -8.067 763 HD1 PHE 104 HD1 PHE 104 9.781 -11.257 -8.629 764 HD2 PHE 104 HD2 PHE 104 12.818 -11.289 -5.566 765 HE1 PHE 104 HE1 PHE 104 9.765 -8.775 -8.578 766 HE2 PHE 104 HE2 PHE 104 12.824 -8.813 -5.545 767 HZ PHE 104 HZ PHE 104 11.257 -7.551 -7.012 768 H SER 105 H SER 105 9.279 -15.474 -7.965 769 HA SER 105 HA SER 105 9.151 -17.587 -6.037 770 1HB SER 105 1HB SER 105 8.869 -18.995 -8.072 771 2HB SER 105 2HB SER 105 7.782 -17.601 -8.002 772 HG SER 105 HG SER 105 8.717 -17.756 -10.069 773 H SER 106 H SER 106 11.688 -16.679 -8.372 774 HA SER 106 HA SER 106 13.606 -18.562 -7.066 775 1HB SER 106 1HB SER 106 12.736 -19.683 -9.031 776 2HB SER 106 2HB SER 106 12.996 -18.245 -10.029 777 HG SER 106 HG SER 106 14.637 -19.836 -10.288 778 HA PRO 107 HA PRO 107 16.487 -15.146 -7.043 779 1HB PRO 107 1HB PRO 107 18.435 -17.169 -8.165 780 2HB PRO 107 2HB PRO 107 18.696 -15.964 -6.868 781 1HG PRO 107 1HG PRO 107 18.190 -18.530 -6.216 782 2HG PRO 107 2HG PRO 107 17.316 -17.237 -5.339 783 1HD PRO 107 1HD PRO 107 16.347 -18.917 -7.643 784 2HD PRO 107 2HD PRO 107 15.497 -18.483 -6.127 785 H VAL 108 H VAL 108 16.443 -17.114 -10.058 786 HA VAL 108 HA VAL 108 17.722 -15.136 -11.692 787 HB VAL 108 HB VAL 108 15.698 -17.172 -12.690 788 1HG1 VAL 108 1HG1 VAL 108 16.425 -15.519 -14.369 789 2HG1 VAL 108 2HG1 VAL 108 18.125 -15.799 -13.940 790 3HG1 VAL 108 3HG1 VAL 108 17.168 -17.081 -14.723 791 1HG2 VAL 108 1HG2 VAL 108 17.330 -18.420 -11.344 792 2HG2 VAL 108 2HG2 VAL 108 17.659 -18.677 -13.055 793 3HG2 VAL 108 3HG2 VAL 108 18.674 -17.553 -12.124 794 H VAL 109 H VAL 109 14.325 -15.534 -10.744 795 HA VAL 109 HA VAL 109 13.249 -13.516 -12.548 796 HB VAL 109 HB VAL 109 12.126 -14.579 -9.918 797 1HG1 VAL 109 1HG1 VAL 109 11.057 -12.451 -10.565 798 2HG1 VAL 109 2HG1 VAL 109 10.761 -13.091 -12.197 799 3HG1 VAL 109 3HG1 VAL 109 9.960 -13.814 -10.780 800 1HG2 VAL 109 1HG2 VAL 109 11.577 -15.426 -12.798 801 2HG2 VAL 109 2HG2 VAL 109 12.404 -16.401 -11.564 802 3HG2 VAL 109 3HG2 VAL 109 10.698 -16.000 -11.365 803 H ALA 110 H ALA 110 14.473 -13.525 -9.184 804 HA ALA 110 HA ALA 110 13.923 -10.761 -8.634 805 1HB ALA 110 1HB ALA 110 16.093 -12.543 -7.450 806 2HB ALA 110 2HB ALA 110 15.374 -11.081 -6.747 807 3HB ALA 110 3HB ALA 110 14.394 -12.547 -6.935 808 H GLU 111 H GLU 111 16.872 -12.416 -9.920 809 HA GLU 111 HA GLU 111 18.509 -10.076 -10.195 810 1HB GLU 111 1HB GLU 111 18.433 -12.682 -11.784 811 2HB GLU 111 2HB GLU 111 19.621 -11.405 -12.051 812 1HG GLU 111 1HG GLU 111 20.338 -11.595 -9.665 813 2HG GLU 111 2HG GLU 111 19.262 -12.977 -9.478 814 H SER 112 H SER 112 16.146 -11.569 -12.438 815 HA SER 112 HA SER 112 16.509 -9.742 -14.620 816 1HB SER 112 1HB SER 112 14.025 -11.323 -13.831 817 2HB SER 112 2HB SER 112 14.309 -10.529 -15.387 818 HG SER 112 HG SER 112 15.738 -12.708 -14.241 819 H HIS 113 H HIS 113 14.335 -9.634 -11.768 820 HA HIS 113 HA HIS 113 12.856 -7.299 -12.539 821 1HB HIS 113 1HB HIS 113 11.983 -8.722 -10.824 822 2HB HIS 113 2HB HIS 113 13.466 -8.650 -9.884 823 HD1 HIS 113 HD1 HIS 113 10.363 -6.535 -10.593 824 HD2 HIS 113 HD2 HIS 113 13.950 -6.461 -8.394 825 HE1 HIS 113 HE1 HIS 113 10.229 -4.503 -9.047 826 H TYR 114 H TYR 114 15.760 -7.617 -10.417 827 HA TYR 114 HA TYR 114 15.998 -4.843 -9.874 828 1HB TYR 114 1HB TYR 114 17.787 -7.235 -9.575 829 2HB TYR 114 2HB TYR 114 18.498 -5.643 -9.417 830 HD1 TYR 114 HD1 TYR 114 17.391 -3.930 -7.838 831 HD2 TYR 114 HD2 TYR 114 16.696 -8.182 -7.618 832 HE1 TYR 114 HE1 TYR 114 16.685 -3.695 -5.466 833 HE2 TYR 114 HE2 TYR 114 15.955 -7.935 -5.252 834 HH TYR 114 HH TYR 114 15.958 -4.752 -3.600 835 H ILE 115 H ILE 115 16.729 -6.357 -12.862 836 HA ILE 115 HA ILE 115 18.302 -3.958 -13.722 837 HB ILE 115 HB ILE 115 19.377 -5.278 -15.420 838 1HG1 ILE 115 1HG1 ILE 115 19.306 -7.846 -15.182 839 2HG1 ILE 115 2HG1 ILE 115 17.754 -7.627 -14.388 840 1HG2 ILE 115 1HG2 ILE 115 19.654 -6.639 -12.715 841 2HG2 ILE 115 2HG2 ILE 115 20.873 -6.521 -13.997 842 3HG2 ILE 115 3HG2 ILE 115 20.353 -5.060 -13.144 843 1HD1 ILE 115 1HD1 ILE 115 17.627 -8.221 -16.807 844 2HD1 ILE 115 2HD1 ILE 115 16.776 -6.727 -16.424 845 3HD1 ILE 115 3HD1 ILE 115 18.379 -6.664 -17.204 846 H GLY 116 H GLY 116 15.230 -5.033 -13.842 847 1HA GLY 116 1HA GLY 116 14.717 -4.206 -16.673 848 2HA GLY 116 2HA GLY 116 13.676 -5.208 -15.678 849 H LYS 117 H LYS 117 12.580 -3.212 -17.044 850 HA LYS 117 HA LYS 117 12.398 -0.645 -15.850 851 1HB LYS 117 1HB LYS 117 10.275 -2.161 -17.432 852 2HB LYS 117 2HB LYS 117 10.267 -0.429 -17.113 853 1HG LYS 117 1HG LYS 117 12.334 -1.915 -18.789 854 2HG LYS 117 2HG LYS 117 10.997 -0.934 -19.383 855 1HD LYS 117 1HD LYS 117 12.003 1.080 -18.246 856 2HD LYS 117 2HD LYS 117 13.361 0.069 -17.739 857 1HE LYS 117 1HE LYS 117 14.094 1.247 -19.658 858 2HE LYS 117 2HE LYS 117 13.870 -0.438 -20.132 859 1HZ LYS 117 1HZ LYS 117 11.934 1.760 -20.669 860 2HZ LYS 117 2HZ LYS 117 12.942 1.109 -21.770 861 3HZ LYS 117 3HZ LYS 117 11.741 0.206 -21.145 862 H THR 118 H THR 118 10.739 -3.597 -14.852 863 HA THR 118 HA THR 118 8.631 -2.559 -13.313 864 HB THR 118 HB THR 118 10.420 -4.883 -12.509 865 HG1 THR 118 HG1 THR 118 8.135 -5.066 -14.133 866 1HG2 THR 118 1HG2 THR 118 8.702 -4.349 -10.827 867 2HG2 THR 118 2HG2 THR 118 7.447 -4.353 -12.074 868 3HG2 THR 118 3HG2 THR 118 8.301 -5.858 -11.663 869 H HIS 119 H HIS 119 12.073 -2.975 -12.341 870 HA HIS 119 HA HIS 119 11.674 -1.940 -9.655 871 1HB HIS 119 1HB HIS 119 13.493 -3.492 -10.376 872 2HB HIS 119 2HB HIS 119 14.243 -2.167 -11.270 873 HD2 HIS 119 HD2 HIS 119 16.014 -0.852 -9.873 874 HE1 HIS 119 HE1 HIS 119 14.762 -1.928 -5.940 875 HE2 HIS 119 HE2 HIS 119 16.528 -0.685 -7.291 876 H ILE 120 H ILE 120 12.900 -0.514 -12.703 877 HA ILE 120 HA ILE 120 13.546 2.052 -11.672 878 HB ILE 120 HB ILE 120 12.833 1.231 -14.498 879 1HG1 ILE 120 1HG1 ILE 120 15.484 1.511 -12.985 880 2HG1 ILE 120 2HG1 ILE 120 14.741 0.002 -13.502 881 1HG2 ILE 120 1HG2 ILE 120 12.613 3.693 -14.221 882 2HG2 ILE 120 2HG2 ILE 120 14.236 3.757 -13.497 883 3HG2 ILE 120 3HG2 ILE 120 14.009 3.295 -15.199 884 1HD1 ILE 120 1HD1 ILE 120 16.504 0.460 -15.024 885 2HD1 ILE 120 2HD1 ILE 120 14.977 0.705 -15.893 886 3HD1 ILE 120 3HD1 ILE 120 15.932 2.104 -15.334 887 H LYS 121 H LYS 121 10.450 0.887 -13.002 888 HA LYS 121 HA LYS 121 8.992 3.365 -12.890 889 1HB LYS 121 1HB LYS 121 8.189 0.435 -12.618 890 2HB LYS 121 2HB LYS 121 7.001 1.743 -12.599 891 1HG LYS 121 1HG LYS 121 7.491 2.414 -14.824 892 2HG LYS 121 2HG LYS 121 8.979 1.456 -14.893 893 1HD LYS 121 1HD LYS 121 7.722 -0.620 -14.815 894 2HD LYS 121 2HD LYS 121 6.190 0.273 -14.648 895 1HE LYS 121 1HE LYS 121 6.462 1.280 -16.841 896 2HE LYS 121 2HE LYS 121 8.088 0.606 -17.014 897 1HZ LYS 121 1HZ LYS 121 5.629 -1.060 -16.775 898 2HZ LYS 121 2HZ LYS 121 6.346 -0.687 -18.201 899 3HZ LYS 121 3HZ LYS 121 7.128 -1.605 -17.096 900 H ASN 122 H ASN 122 9.776 1.004 -10.380 901 HA ASN 122 HA ASN 122 8.208 2.393 -8.329 902 1HB ASN 122 1HB ASN 122 10.031 -0.014 -8.346 903 2HB ASN 122 2HB ASN 122 9.465 0.704 -6.839 904 1HD2 ASN 122 1HD2 ASN 122 8.436 -1.154 -9.686 905 2HD2 ASN 122 2HD2 ASN 122 6.823 -1.450 -9.050 906 H LEU 123 H LEU 123 11.629 2.497 -9.416 907 HA LEU 123 HA LEU 123 12.716 3.871 -7.155 908 1HB LEU 123 1HB LEU 123 13.362 4.368 -10.101 909 2HB LEU 123 2HB LEU 123 14.305 4.929 -8.740 910 HG LEU 123 HG LEU 123 13.949 2.021 -9.536 911 1HD1 LEU 123 1HD1 LEU 123 16.273 2.167 -10.254 912 2HD1 LEU 123 2HD1 LEU 123 15.326 3.402 -11.099 913 3HD1 LEU 123 3HD1 LEU 123 16.360 3.866 -9.736 914 1HD2 LEU 123 1HD2 LEU 123 14.330 2.139 -7.146 915 2HD2 LEU 123 2HD2 LEU 123 15.799 1.599 -7.973 916 3HD2 LEU 123 3HD2 LEU 123 15.686 3.273 -7.384 917 H ARG 124 H ARG 124 11.111 5.162 -10.072 918 HA ARG 124 HA ARG 124 11.063 7.936 -9.253 919 1HB ARG 124 1HB ARG 124 9.658 6.293 -11.365 920 2HB ARG 124 2HB ARG 124 9.078 7.914 -11.002 921 1HG ARG 124 1HG ARG 124 10.647 7.890 -12.891 922 2HG ARG 124 2HG ARG 124 11.174 8.934 -11.571 923 1HD ARG 124 1HD ARG 124 12.864 7.334 -10.873 924 2HD ARG 124 2HD ARG 124 12.220 6.110 -11.972 925 HE ARG 124 HE ARG 124 13.230 7.130 -13.789 926 1HH1 ARG 124 1HH1 ARG 124 13.746 9.316 -11.017 927 2HH1 ARG 124 2HH1 ARG 124 14.961 10.185 -11.902 928 1HH2 ARG 124 1HH2 ARG 124 14.765 8.347 -14.780 929 2HH2 ARG 124 2HH2 ARG 124 15.502 9.682 -13.946 930 H LEU 125 H LEU 125 8.784 5.276 -8.664 931 HA LEU 125 HA LEU 125 6.685 6.889 -7.573 932 1HB LEU 125 1HB LEU 125 6.484 4.545 -8.366 933 2HB LEU 125 2HB LEU 125 7.403 3.985 -6.982 934 HG LEU 125 HG LEU 125 4.926 3.648 -6.930 935 1HD1 LEU 125 1HD1 LEU 125 5.927 5.247 -4.550 936 2HD1 LEU 125 2HD1 LEU 125 4.646 4.031 -4.591 937 3HD1 LEU 125 3HD1 LEU 125 6.321 3.542 -4.880 938 1HD2 LEU 125 1HD2 LEU 125 4.758 6.614 -6.280 939 2HD2 LEU 125 2HD2 LEU 125 4.249 5.869 -7.815 940 3HD2 LEU 125 3HD2 LEU 125 3.436 5.433 -6.302 941 H ARG 126 H ARG 126 9.410 5.165 -5.928 942 HA ARG 126 HA ARG 126 8.762 6.218 -3.286 943 1HB ARG 126 1HB ARG 126 11.426 5.138 -4.300 944 2HB ARG 126 2HB ARG 126 10.959 5.359 -2.618 945 1HG ARG 126 1HG ARG 126 9.802 3.353 -4.584 946 2HG ARG 126 2HG ARG 126 10.842 3.012 -3.218 947 1HD ARG 126 1HD ARG 126 8.037 4.160 -2.956 948 2HD ARG 126 2HD ARG 126 8.403 2.448 -2.968 949 HE ARG 126 HE ARG 126 9.107 4.398 -0.831 950 1HH1 ARG 126 1HH1 ARG 126 9.225 1.057 -1.873 951 2HH1 ARG 126 2HH1 ARG 126 9.558 0.453 -0.275 952 1HH2 ARG 126 1HH2 ARG 126 9.540 3.583 1.199 953 2HH2 ARG 126 2HH2 ARG 126 9.715 1.867 1.423 954 H GLU 127 H GLU 127 10.921 7.325 -5.853 955 HA GLU 127 HA GLU 127 12.211 9.475 -4.462 956 1HB GLU 127 1HB GLU 127 13.045 8.466 -6.507 957 2HB GLU 127 2HB GLU 127 11.579 8.932 -7.378 958 1HG GLU 127 1HG GLU 127 12.198 11.291 -7.248 959 2HG GLU 127 2HG GLU 127 13.608 10.884 -6.255 960 H GLN 128 H GLN 128 9.156 9.326 -6.283 961 HA GLN 128 HA GLN 128 8.253 11.909 -5.145 962 1HB GLN 128 1HB GLN 128 9.369 12.377 -7.344 963 2HB GLN 128 2HB GLN 128 8.249 11.254 -8.131 964 1HG GLN 128 1HG GLN 128 6.341 12.696 -7.494 965 2HG GLN 128 2HG GLN 128 7.427 13.747 -6.580 966 1HE2 GLN 128 1HE2 GLN 128 7.470 15.693 -7.737 967 2HE2 GLN 128 2HE2 GLN 128 7.768 15.777 -9.469 Start of MODEL 2 1 1H ALA 2 1H ALA 2 -33.869 8.236 0.138 2 HA ALA 2 HA ALA 2 -30.992 8.587 0.057 3 1HB ALA 2 1HB ALA 2 -30.987 6.135 0.267 4 2HB ALA 2 2HB ALA 2 -32.149 6.852 1.395 5 3HB ALA 2 3HB ALA 2 -32.724 6.079 -0.104 6 H ASP 3 H ASP 3 -33.064 8.861 -2.491 7 HA ASP 3 HA ASP 3 -32.038 7.180 -4.529 8 1HB ASP 3 1HB ASP 3 -34.213 8.425 -4.497 9 2HB ASP 3 2HB ASP 3 -33.327 9.924 -4.775 10 H GLU 4 H GLU 4 -30.528 9.984 -3.149 11 HA GLU 4 HA GLU 4 -28.338 9.824 -5.126 12 1HB GLU 4 1HB GLU 4 -28.238 12.246 -5.425 13 2HB GLU 4 2HB GLU 4 -29.742 11.575 -6.046 14 1HG GLU 4 1HG GLU 4 -30.941 12.366 -4.006 15 2HG GLU 4 2HG GLU 4 -29.430 13.033 -3.382 16 H PHE 5 H PHE 5 -26.331 10.433 -4.390 17 HA PHE 5 HA PHE 5 -25.956 11.560 -1.711 18 1HB PHE 5 1HB PHE 5 -26.342 8.992 -1.537 19 2HB PHE 5 2HB PHE 5 -24.751 8.826 -2.253 20 HD1 PHE 5 HD1 PHE 5 -26.573 10.599 0.531 21 HD2 PHE 5 HD2 PHE 5 -22.889 8.749 -0.737 22 HE1 PHE 5 HE1 PHE 5 -25.653 10.855 2.824 23 HE2 PHE 5 HE2 PHE 5 -21.979 8.989 1.561 24 HZ PHE 5 HZ PHE 5 -23.366 10.036 3.348 25 H GLY 6 H GLY 6 -25.301 12.393 -4.431 26 1HA GLY 6 1HA GLY 6 -22.313 12.290 -4.529 27 2HA GLY 6 2HA GLY 6 -23.397 12.741 -5.841 28 H ASN 7 H ASN 7 -24.573 14.311 -3.168 29 HA ASN 7 HA ASN 7 -23.622 16.923 -4.021 30 1HB ASN 7 1HB ASN 7 -25.335 16.035 -1.663 31 2HB ASN 7 2HB ASN 7 -25.133 17.704 -2.188 32 1HD2 ASN 7 1HD2 ASN 7 -27.344 15.318 -2.285 33 2HD2 ASN 7 2HD2 ASN 7 -28.085 15.659 -3.850 34 H GLY 8 H GLY 8 -22.818 18.552 -2.409 35 1HA GLY 8 1HA GLY 8 -20.249 17.969 -1.490 36 2HA GLY 8 2HA GLY 8 -21.214 19.356 -0.988 37 H ASP 9 H ASP 9 -23.255 17.575 0.357 38 HA ASP 9 HA ASP 9 -21.927 17.384 2.949 39 1HB ASP 9 1HB ASP 9 -24.124 16.979 3.826 40 2HB ASP 9 2HB ASP 9 -24.186 18.318 2.691 41 H ALA 10 H ALA 10 -22.073 15.137 0.412 42 HA ALA 10 HA ALA 10 -22.666 12.691 1.691 43 1HB ALA 10 1HB ALA 10 -20.707 13.269 -0.571 44 2HB ALA 10 2HB ALA 10 -21.409 11.686 -0.173 45 3HB ALA 10 3HB ALA 10 -22.457 12.999 -0.741 46 H LEU 11 H LEU 11 -21.520 11.208 2.868 47 HA LEU 11 HA LEU 11 -18.673 11.425 3.438 48 1HB LEU 11 1HB LEU 11 -19.579 13.159 4.887 49 2HB LEU 11 2HB LEU 11 -20.815 12.095 5.517 50 HG LEU 11 HG LEU 11 -17.959 11.230 5.907 51 1HD1 LEU 11 1HD1 LEU 11 -19.222 13.509 7.482 52 2HD1 LEU 11 2HD1 LEU 11 -17.709 12.671 7.896 53 3HD1 LEU 11 3HD1 LEU 11 -17.807 13.624 6.412 54 1HD2 LEU 11 1HD2 LEU 11 -18.851 10.575 8.140 55 2HD2 LEU 11 2HD2 LEU 11 -20.409 11.308 7.736 56 3HD2 LEU 11 3HD2 LEU 11 -19.842 9.883 6.851 57 H ASP 12 H ASP 12 -17.878 9.501 3.977 58 HA ASP 12 HA ASP 12 -19.692 7.224 4.699 59 1HB ASP 12 1HB ASP 12 -17.161 7.097 3.016 60 2HB ASP 12 2HB ASP 12 -18.247 5.758 3.374 61 H LEU 13 H LEU 13 -17.633 9.149 6.085 62 HA LEU 13 HA LEU 13 -15.677 7.403 7.345 63 1HB LEU 13 1HB LEU 13 -16.558 10.299 7.662 64 2HB LEU 13 2HB LEU 13 -15.361 9.618 8.730 65 HG LEU 13 HG LEU 13 -14.980 9.429 5.724 66 1HD1 LEU 13 1HD1 LEU 13 -15.384 11.793 6.175 67 2HD1 LEU 13 2HD1 LEU 13 -14.214 11.765 7.509 68 3HD1 LEU 13 3HD1 LEU 13 -13.666 11.511 5.843 69 1HD2 LEU 13 1HD2 LEU 13 -13.042 9.571 8.074 70 2HD2 LEU 13 2HD2 LEU 13 -13.478 8.094 7.190 71 3HD2 LEU 13 3HD2 LEU 13 -12.586 9.388 6.381 72 HA PRO 14 HA PRO 14 -17.974 6.239 11.004 73 1HB PRO 14 1HB PRO 14 -16.004 6.123 12.917 74 2HB PRO 14 2HB PRO 14 -16.150 4.939 11.582 75 1HG PRO 14 1HG PRO 14 -14.317 7.328 11.755 76 2HG PRO 14 2HG PRO 14 -13.935 5.668 11.224 77 1HD PRO 14 1HD PRO 14 -14.489 7.718 9.487 78 2HD PRO 14 2HD PRO 14 -14.911 6.026 9.119 79 H VAL 15 H VAL 15 -18.530 7.029 13.242 80 HA VAL 15 HA VAL 15 -17.995 9.909 13.708 81 HB VAL 15 HB VAL 15 -20.021 9.571 12.266 82 1HG1 VAL 15 1HG1 VAL 15 -21.363 8.531 14.787 83 2HG1 VAL 15 2HG1 VAL 15 -22.129 8.887 13.230 84 3HG1 VAL 15 3HG1 VAL 15 -20.962 7.563 13.350 85 1HG2 VAL 15 1HG2 VAL 15 -21.349 11.277 13.249 86 2HG2 VAL 15 2HG2 VAL 15 -20.656 11.009 14.854 87 3HG2 VAL 15 3HG2 VAL 15 -19.643 11.649 13.540 88 H GLY 16 H GLY 16 -17.163 7.442 15.021 89 1HA GLY 16 1HA GLY 16 -16.983 8.298 17.666 90 2HA GLY 16 2HA GLY 16 -18.383 7.218 17.635 91 H LYS 17 H LYS 17 -16.242 6.563 19.209 92 HA LYS 17 HA LYS 17 -14.193 5.000 18.060 93 1HB LYS 17 1HB LYS 17 -14.124 5.786 20.354 94 2HB LYS 17 2HB LYS 17 -15.477 4.735 20.807 95 1HG LYS 17 1HG LYS 17 -14.184 2.750 20.518 96 2HG LYS 17 2HG LYS 17 -12.952 3.582 19.567 97 1HD LYS 17 1HD LYS 17 -12.120 2.998 21.768 98 2HD LYS 17 2HD LYS 17 -12.120 4.748 21.511 99 1HE LYS 17 1HE LYS 17 -14.073 5.034 22.912 100 2HE LYS 17 2HE LYS 17 -14.319 3.284 23.033 101 1HZ LYS 17 1HZ LYS 17 -12.314 3.091 24.299 102 2HZ LYS 17 2HZ LYS 17 -11.842 4.617 24.005 103 3HZ LYS 17 3HZ LYS 17 -13.139 4.326 24.982 104 H ASP 18 H ASP 18 -17.494 3.967 18.876 105 HA ASP 18 HA ASP 18 -17.122 1.157 18.494 106 1HB ASP 18 1HB ASP 18 -19.568 2.916 18.040 107 2HB ASP 18 2HB ASP 18 -19.586 1.154 18.025 108 H ALA 19 H ALA 19 -17.989 3.724 16.123 109 HA ALA 19 HA ALA 19 -18.163 1.925 13.865 110 1HB ALA 19 1HB ALA 19 -19.312 4.092 13.899 111 2HB ALA 19 2HB ALA 19 -17.753 4.941 14.012 112 3HB ALA 19 3HB ALA 19 -18.164 4.013 12.548 113 H VAL 20 H VAL 20 -15.523 3.979 15.196 114 HA VAL 20 HA VAL 20 -13.594 3.419 13.135 115 HB VAL 20 HB VAL 20 -13.227 4.202 16.052 116 1HG1 VAL 20 1HG1 VAL 20 -11.162 3.954 13.828 117 2HG1 VAL 20 2HG1 VAL 20 -10.900 4.876 15.325 118 3HG1 VAL 20 3HG1 VAL 20 -11.156 3.133 15.407 119 1HG2 VAL 20 1HG2 VAL 20 -12.929 5.787 13.462 120 2HG2 VAL 20 2HG2 VAL 20 -14.300 5.914 14.584 121 3HG2 VAL 20 3HG2 VAL 20 -12.692 6.412 15.104 122 H ASN 21 H ASN 21 -14.335 1.672 16.201 123 HA ASN 21 HA ASN 21 -12.296 -0.307 15.979 124 1HB ASN 21 1HB ASN 21 -13.482 0.076 18.048 125 2HB ASN 21 2HB ASN 21 -15.042 -0.246 17.300 126 1HD2 ASN 21 1HD2 ASN 21 -15.772 -2.355 17.137 127 2HD2 ASN 21 2HD2 ASN 21 -14.848 -3.726 17.739 128 H SER 22 H SER 22 -15.709 -0.355 14.756 129 HA SER 22 HA SER 22 -15.521 -2.951 13.539 130 1HB SER 22 1HB SER 22 -17.308 -0.575 12.892 131 2HB SER 22 2HB SER 22 -17.493 -2.202 12.206 132 HG SER 22 HG SER 22 -18.808 -1.866 14.080 133 H LEU 23 H LEU 23 -14.886 0.335 12.234 134 HA LEU 23 HA LEU 23 -14.340 -0.429 9.545 135 1HB LEU 23 1HB LEU 23 -14.791 1.884 10.399 136 2HB LEU 23 2HB LEU 23 -13.242 1.864 11.235 137 HG LEU 23 HG LEU 23 -12.076 1.695 9.019 138 1HD1 LEU 23 1HD1 LEU 23 -13.902 0.717 7.654 139 2HD1 LEU 23 2HD1 LEU 23 -14.887 2.170 7.920 140 3HD1 LEU 23 3HD1 LEU 23 -13.381 2.266 6.981 141 1HD2 LEU 23 1HD2 LEU 23 -12.410 3.850 10.151 142 2HD2 LEU 23 2HD2 LEU 23 -12.541 4.052 8.396 143 3HD2 LEU 23 3HD2 LEU 23 -14.013 4.009 9.399 144 H ILE 24 H ILE 24 -12.165 -0.191 12.379 145 HA ILE 24 HA ILE 24 -9.756 -0.964 10.998 146 HB ILE 24 HB ILE 24 -10.608 -1.035 13.912 147 1HG1 ILE 24 1HG1 ILE 24 -8.459 0.650 12.543 148 2HG1 ILE 24 2HG1 ILE 24 -10.130 1.180 12.676 149 1HG2 ILE 24 1HG2 ILE 24 -9.008 -2.852 13.713 150 2HG2 ILE 24 2HG2 ILE 24 -7.933 -1.853 12.716 151 3HG2 ILE 24 3HG2 ILE 24 -8.175 -1.495 14.443 152 1HD1 ILE 24 1HD1 ILE 24 -8.940 2.191 14.481 153 2HD1 ILE 24 2HD1 ILE 24 -9.964 0.932 15.188 154 3HD1 ILE 24 3HD1 ILE 24 -8.218 0.660 14.984 155 H ARG 25 H ARG 25 -12.197 -2.894 12.831 156 HA ARG 25 HA ARG 25 -10.939 -5.427 12.543 157 1HB ARG 25 1HB ARG 25 -12.795 -4.826 14.087 158 2HB ARG 25 2HB ARG 25 -13.929 -4.811 12.743 159 1HG ARG 25 1HG ARG 25 -12.270 -7.268 13.426 160 2HG ARG 25 2HG ARG 25 -13.746 -6.867 14.303 161 1HD ARG 25 1HD ARG 25 -15.061 -6.955 12.216 162 2HD ARG 25 2HD ARG 25 -13.606 -7.405 11.310 163 HE ARG 25 HE ARG 25 -13.929 -9.205 13.497 164 1HH1 ARG 25 1HH1 ARG 25 -15.462 -8.555 10.381 165 2HH1 ARG 25 2HH1 ARG 25 -15.961 -10.221 10.216 166 1HH2 ARG 25 1HH2 ARG 25 -14.620 -11.286 13.191 167 2HH2 ARG 25 2HH2 ARG 25 -15.507 -11.708 11.756 168 H GLU 26 H GLU 26 -13.360 -3.904 10.397 169 HA GLU 26 HA GLU 26 -13.393 -6.113 8.513 170 1HB GLU 26 1HB GLU 26 -14.339 -3.225 8.303 171 2HB GLU 26 2HB GLU 26 -14.638 -4.453 7.075 172 1HG GLU 26 1HG GLU 26 -15.634 -4.584 9.954 173 2HG GLU 26 2HG GLU 26 -16.583 -4.117 8.551 174 H ASN 27 H ASN 27 -11.092 -3.606 8.944 175 HA ASN 27 HA ASN 27 -9.864 -4.197 6.280 176 1HB ASN 27 1HB ASN 27 -10.110 -1.495 7.633 177 2HB ASN 27 2HB ASN 27 -9.245 -1.806 6.138 178 1HD2 ASN 27 1HD2 ASN 27 -12.357 -1.306 7.563 179 2HD2 ASN 27 2HD2 ASN 27 -13.256 -1.300 6.036 180 H SER 28 H SER 28 -9.237 -5.480 8.791 181 HA SER 28 HA SER 28 -7.083 -4.464 10.226 182 1HB SER 28 1HB SER 28 -6.600 -6.804 10.818 183 2HB SER 28 2HB SER 28 -8.330 -6.424 10.894 184 HG SER 28 HG SER 28 -7.929 -8.419 9.816 185 H HIS 29 H HIS 29 -6.961 -5.651 6.985 186 HA HIS 29 HA HIS 29 -4.109 -6.198 6.823 187 1HB HIS 29 1HB HIS 29 -4.624 -6.273 4.356 188 2HB HIS 29 2HB HIS 29 -5.555 -7.374 5.358 189 HD2 HIS 29 HD2 HIS 29 -8.190 -7.073 5.476 190 HE1 HIS 29 HE1 HIS 29 -8.542 -3.821 2.737 191 HE2 HIS 29 HE2 HIS 29 -9.835 -5.569 4.066 192 H ILE 30 H ILE 30 -5.847 -3.245 6.907 193 HA ILE 30 HA ILE 30 -3.432 -1.744 5.996 194 HB ILE 30 HB ILE 30 -4.975 -0.056 4.953 195 1HG1 ILE 30 1HG1 ILE 30 -7.016 -2.314 5.011 196 2HG1 ILE 30 2HG1 ILE 30 -7.097 -0.819 5.934 197 1HG2 ILE 30 1HG2 ILE 30 -4.874 -2.747 3.552 198 2HG2 ILE 30 2HG2 ILE 30 -4.950 -1.141 2.800 199 3HG2 ILE 30 3HG2 ILE 30 -3.509 -1.622 3.692 200 1HD1 ILE 30 1HD1 ILE 30 -7.274 -1.087 2.913 201 2HD1 ILE 30 2HD1 ILE 30 -8.564 -0.643 4.037 202 3HD1 ILE 30 3HD1 ILE 30 -7.205 0.463 3.787 203 H PHE 31 H PHE 31 -6.188 -1.845 8.184 204 HA PHE 31 HA PHE 31 -5.191 0.656 9.520 205 1HB PHE 31 1HB PHE 31 -7.967 -0.534 9.662 206 2HB PHE 31 2HB PHE 31 -7.449 1.005 10.316 207 HD1 PHE 31 HD1 PHE 31 -5.963 1.748 7.478 208 HD2 PHE 31 HD2 PHE 31 -9.902 0.537 8.734 209 HE1 PHE 31 HE1 PHE 31 -6.920 2.664 5.384 210 HE2 PHE 31 HE2 PHE 31 -10.859 1.483 6.649 211 HZ PHE 31 HZ PHE 31 -9.364 2.504 4.953 212 H SER 32 H SER 32 -5.112 0.627 11.783 213 HA SER 32 HA SER 32 -5.795 -1.789 13.307 214 1HB SER 32 1HB SER 32 -3.605 -2.261 14.138 215 2HB SER 32 2HB SER 32 -3.527 -2.296 12.372 216 HG SER 32 HG SER 32 -2.728 -0.132 12.464 217 H ASP 33 H ASP 33 -5.226 -1.517 15.638 218 HA ASP 33 HA ASP 33 -6.385 0.809 16.753 219 1HB ASP 33 1HB ASP 33 -6.274 -1.487 17.727 220 2HB ASP 33 2HB ASP 33 -4.544 -1.276 17.999 221 H THR 34 H THR 34 -3.065 0.336 15.740 222 HA THR 34 HA THR 34 -2.281 2.914 17.015 223 HB THR 34 HB THR 34 -0.034 1.961 17.491 224 HG1 THR 34 HG1 THR 34 0.151 -0.291 17.500 225 1HG2 THR 34 1HG2 THR 34 -1.777 2.094 19.263 226 2HG2 THR 34 2HG2 THR 34 -2.252 0.421 18.890 227 3HG2 THR 34 3HG2 THR 34 -0.621 0.773 19.501 228 H GLN 35 H GLN 35 -2.624 1.558 14.002 229 HA GLN 35 HA GLN 35 -0.856 3.571 12.841 230 1HB GLN 35 1HB GLN 35 0.673 1.594 13.381 231 2HB GLN 35 2HB GLN 35 -0.311 0.604 12.311 232 1HG GLN 35 1HG GLN 35 0.336 2.149 10.405 233 2HG GLN 35 2HG GLN 35 1.396 3.004 11.531 234 1HE2 GLN 35 1HE2 GLN 35 3.331 1.832 12.330 235 2HE2 GLN 35 2HE2 GLN 35 3.873 0.402 11.467 236 H CYS 36 H CYS 36 -1.329 4.073 10.733 237 HA CYS 36 HA CYS 36 -3.437 2.486 9.284 238 1HB CYS 36 1HB CYS 36 -4.304 4.696 9.990 239 2HB CYS 36 2HB CYS 36 -2.930 5.481 9.193 240 H LYS 37 H LYS 37 -2.474 1.408 7.643 241 HA LYS 37 HA LYS 37 0.149 2.200 6.576 242 1HB LYS 37 1HB LYS 37 -1.741 -0.041 5.737 243 2HB LYS 37 2HB LYS 37 -0.059 0.166 5.232 244 1HG LYS 37 1HG LYS 37 0.628 0.045 7.664 245 2HG LYS 37 2HG LYS 37 -1.050 -0.379 8.069 246 1HD LYS 37 1HD LYS 37 -0.893 -2.310 6.481 247 2HD LYS 37 2HD LYS 37 0.813 -1.927 6.222 248 1HE LYS 37 1HE LYS 37 -0.460 -2.643 8.911 249 2HE LYS 37 2HE LYS 37 0.395 -3.781 7.867 250 1HZ LYS 37 1HZ LYS 37 1.610 -1.400 9.179 251 2HZ LYS 37 2HZ LYS 37 1.881 -2.960 9.559 252 3HZ LYS 37 3HZ LYS 37 2.399 -2.382 8.124 253 H VAL 38 H VAL 38 -3.191 2.487 5.394 254 HA VAL 38 HA VAL 38 -2.533 3.181 2.663 255 HB VAL 38 HB VAL 38 -4.938 3.641 4.434 256 1HG1 VAL 38 1HG1 VAL 38 -4.651 4.689 1.588 257 2HG1 VAL 38 2HG1 VAL 38 -6.191 4.478 2.451 258 3HG1 VAL 38 3HG1 VAL 38 -5.010 5.630 3.061 259 1HG2 VAL 38 1HG2 VAL 38 -5.977 2.132 2.791 260 2HG2 VAL 38 2HG2 VAL 38 -4.506 2.160 1.801 261 3HG2 VAL 38 3HG2 VAL 38 -4.475 1.408 3.398 262 H CYS 39 H CYS 39 -2.543 5.086 5.643 263 HA CYS 39 HA CYS 39 -1.700 7.505 4.136 264 1HB CYS 39 1HB CYS 39 -2.795 7.123 6.942 265 2HB CYS 39 2HB CYS 39 -2.436 8.656 6.165 266 H SER 40 H SER 40 -0.172 4.965 5.319 267 HA SER 40 HA SER 40 1.598 4.417 6.613 268 1HB SER 40 1HB SER 40 2.782 6.609 4.844 269 2HB SER 40 2HB SER 40 3.695 5.300 5.620 270 HG SER 40 HG SER 40 3.175 4.820 3.438 271 H ALA 41 H ALA 41 0.334 5.592 8.410 272 HA ALA 41 HA ALA 41 2.254 7.371 9.869 273 1HB ALA 41 1HB ALA 41 -0.745 7.836 9.560 274 2HB ALA 41 2HB ALA 41 0.360 8.796 10.569 275 3HB ALA 41 3HB ALA 41 0.549 8.796 8.806 276 H VAL 42 H VAL 42 2.331 7.214 12.036 277 HA VAL 42 HA VAL 42 1.096 4.828 13.287 278 HB VAL 42 HB VAL 42 3.171 6.693 14.510 279 1HG1 VAL 42 1HG1 VAL 42 2.053 5.144 16.106 280 2HG1 VAL 42 2HG1 VAL 42 2.458 3.770 15.058 281 3HG1 VAL 42 3HG1 VAL 42 3.738 4.699 15.866 282 1HG2 VAL 42 1HG2 VAL 42 4.176 5.830 12.445 283 2HG2 VAL 42 2HG2 VAL 42 4.873 4.991 13.827 284 3HG2 VAL 42 3HG2 VAL 42 3.637 4.182 12.838 285 H LEU 43 H LEU 43 -0.068 4.943 15.183 286 HA LEU 43 HA LEU 43 -1.370 7.524 15.953 287 1HB LEU 43 1HB LEU 43 -2.682 4.812 15.463 288 2HB LEU 43 2HB LEU 43 -3.509 6.281 15.933 289 HG LEU 43 HG LEU 43 -2.025 5.949 13.279 290 1HD1 LEU 43 1HD1 LEU 43 -3.850 4.348 13.386 291 2HD1 LEU 43 2HD1 LEU 43 -4.984 5.630 13.833 292 3HD1 LEU 43 3HD1 LEU 43 -4.205 5.652 12.244 293 1HD2 LEU 43 1HD2 LEU 43 -2.349 8.310 14.017 294 2HD2 LEU 43 2HD2 LEU 43 -3.295 7.901 12.580 295 3HD2 LEU 43 3HD2 LEU 43 -4.088 8.002 14.169 296 H ILE 44 H ILE 44 0.455 7.240 17.558 297 HA ILE 44 HA ILE 44 0.539 5.056 19.378 298 HB ILE 44 HB ILE 44 2.085 6.357 20.711 299 1HG1 ILE 44 1HG1 ILE 44 1.604 8.708 18.839 300 2HG1 ILE 44 2HG1 ILE 44 0.930 8.590 20.470 301 1HG2 ILE 44 1HG2 ILE 44 3.842 6.502 19.085 302 2HG2 ILE 44 2HG2 ILE 44 2.775 5.185 18.599 303 3HG2 ILE 44 3HG2 ILE 44 2.695 6.754 17.759 304 1HD1 ILE 44 1HD1 ILE 44 3.243 8.455 21.398 305 2HD1 ILE 44 2HD1 ILE 44 3.885 8.715 19.756 306 3HD1 ILE 44 3HD1 ILE 44 2.908 9.969 20.534 307 H SER 45 H SER 45 -1.832 7.425 19.374 308 HA SER 45 HA SER 45 -2.678 6.702 22.142 309 1HB SER 45 1HB SER 45 -2.687 9.524 20.992 310 2HB SER 45 2HB SER 45 -3.420 9.028 22.527 311 HG SER 45 HG SER 45 -1.348 9.911 22.863 312 H GLU 46 H GLU 46 -4.936 6.687 22.460 313 HA GLU 46 HA GLU 46 -6.545 5.928 20.238 314 1HB GLU 46 1HB GLU 46 -6.951 5.248 22.540 315 2HB GLU 46 2HB GLU 46 -7.402 6.899 22.992 316 1HG GLU 46 1HG GLU 46 -9.409 6.827 21.757 317 2HG GLU 46 2HG GLU 46 -8.826 5.551 20.689 318 H SER 47 H SER 47 -6.169 9.178 21.743 319 HA SER 47 HA SER 47 -8.277 10.448 20.290 320 1HB SER 47 1HB SER 47 -7.001 12.535 20.727 321 2HB SER 47 2HB SER 47 -7.306 11.545 22.166 322 HG SER 47 HG SER 47 -5.119 12.287 22.070 323 H GLN 48 H GLN 48 -4.848 9.857 19.396 324 HA GLN 48 HA GLN 48 -4.939 11.273 16.879 325 1HB GLN 48 1HB GLN 48 -3.188 8.950 17.826 326 2HB GLN 48 2HB GLN 48 -2.971 9.793 16.299 327 1HG GLN 48 1HG GLN 48 -2.417 11.853 17.363 328 2HG GLN 48 2HG GLN 48 -2.983 11.287 18.939 329 1HE2 GLN 48 1HE2 GLN 48 -1.027 11.577 20.044 330 2HE2 GLN 48 2HE2 GLN 48 0.395 10.607 19.683 331 H LYS 49 H LYS 49 -5.525 7.832 17.767 332 HA LYS 49 HA LYS 49 -6.066 6.961 15.087 333 1HB LYS 49 1HB LYS 49 -6.050 4.959 16.084 334 2HB LYS 49 2HB LYS 49 -5.802 5.774 17.618 335 1HG LYS 49 1HG LYS 49 -8.306 5.820 17.930 336 2HG LYS 49 2HG LYS 49 -8.452 4.837 16.463 337 1HD LYS 49 1HD LYS 49 -7.129 3.043 17.571 338 2HD LYS 49 2HD LYS 49 -6.937 4.074 19.007 339 1HE LYS 49 1HE LYS 49 -9.510 4.246 19.020 340 2HE LYS 49 2HE LYS 49 -9.487 2.911 17.840 341 1HZ LYS 49 1HZ LYS 49 -9.706 1.868 19.906 342 2HZ LYS 49 2HZ LYS 49 -8.099 1.725 19.646 343 3HZ LYS 49 3HZ LYS 49 -8.700 2.860 20.695 344 H LEU 50 H LEU 50 -8.289 8.064 17.614 345 HA LEU 50 HA LEU 50 -10.670 7.795 16.026 346 1HB LEU 50 1HB LEU 50 -10.034 9.541 18.453 347 2HB LEU 50 2HB LEU 50 -11.635 9.413 17.723 348 HG LEU 50 HG LEU 50 -10.096 7.159 19.073 349 1HD1 LEU 50 1HD1 LEU 50 -12.748 8.486 19.740 350 2HD1 LEU 50 2HD1 LEU 50 -11.945 7.196 20.658 351 3HD1 LEU 50 3HD1 LEU 50 -11.202 8.803 20.567 352 1HD2 LEU 50 1HD2 LEU 50 -12.782 7.031 17.668 353 2HD2 LEU 50 2HD2 LEU 50 -11.300 6.134 17.243 354 3HD2 LEU 50 3HD2 LEU 50 -12.113 5.789 18.757 355 H ALA 51 H ALA 51 -8.470 10.630 16.412 356 HA ALA 51 HA ALA 51 -10.114 12.299 14.703 357 1HB ALA 51 1HB ALA 51 -7.156 12.489 15.460 358 2HB ALA 51 2HB ALA 51 -8.132 13.783 14.730 359 3HB ALA 51 3HB ALA 51 -8.510 13.206 16.365 360 H HIS 52 H HIS 52 -7.257 10.201 14.033 361 HA HIS 52 HA HIS 52 -6.951 11.006 11.317 362 1HB HIS 52 1HB HIS 52 -5.264 9.809 12.693 363 2HB HIS 52 2HB HIS 52 -6.250 8.343 12.626 364 HD1 HIS 52 HD1 HIS 52 -3.716 10.294 10.640 365 HD2 HIS 52 HD2 HIS 52 -6.591 7.280 10.015 366 HE1 HIS 52 HE1 HIS 52 -3.236 9.301 8.339 367 H TYR 53 H TYR 53 -8.694 8.116 12.671 368 HA TYR 53 HA TYR 53 -9.591 7.295 10.064 369 1HB TYR 53 1HB TYR 53 -10.499 6.490 12.842 370 2HB TYR 53 2HB TYR 53 -11.076 5.739 11.360 371 HD1 TYR 53 HD1 TYR 53 -8.939 5.206 9.634 372 HD2 TYR 53 HD2 TYR 53 -8.901 5.118 13.941 373 HE1 TYR 53 HE1 TYR 53 -6.972 3.675 9.591 374 HE2 TYR 53 HE2 TYR 53 -6.942 3.589 13.894 375 HH TYR 53 HH TYR 53 -5.503 2.436 12.614 376 H GLN 54 H GLN 54 -10.862 9.779 12.104 377 HA GLN 54 HA GLN 54 -13.478 9.769 10.662 378 1HB GLN 54 1HB GLN 54 -12.478 11.333 13.070 379 2HB GLN 54 2HB GLN 54 -14.044 11.593 12.299 380 1HG GLN 54 1HG GLN 54 -14.728 9.290 12.762 381 2HG GLN 54 2HG GLN 54 -13.177 8.944 13.529 382 1HE2 GLN 54 1HE2 GLN 54 -12.624 10.372 15.439 383 2HE2 GLN 54 2HE2 GLN 54 -13.965 10.854 16.498 384 H SER 55 H SER 55 -10.397 11.188 10.264 385 HA SER 55 HA SER 55 -11.187 13.814 9.344 386 1HB SER 55 1HB SER 55 -8.957 13.366 10.208 387 2HB SER 55 2HB SER 55 -8.648 12.197 8.907 388 HG SER 55 HG SER 55 -7.833 14.430 8.613 389 H ARG 56 H ARG 56 -11.339 14.666 7.302 390 HA ARG 56 HA ARG 56 -12.271 13.062 5.073 391 1HB ARG 56 1HB ARG 56 -11.357 15.955 5.353 392 2HB ARG 56 2HB ARG 56 -11.851 15.287 3.804 393 1HG ARG 56 1HG ARG 56 -13.660 15.326 6.259 394 2HG ARG 56 2HG ARG 56 -13.628 16.568 5.000 395 1HD ARG 56 1HD ARG 56 -14.125 14.769 3.297 396 2HD ARG 56 2HD ARG 56 -14.390 13.643 4.643 397 HE ARG 56 HE ARG 56 -15.986 15.922 5.135 398 1HH1 ARG 56 1HH1 ARG 56 -15.927 13.377 2.692 399 2HH1 ARG 56 2HH1 ARG 56 -17.647 13.580 2.382 400 1HH2 ARG 56 1HH2 ARG 56 -18.167 16.087 4.574 401 2HH2 ARG 56 2HH2 ARG 56 -18.807 14.982 3.371 402 H LYS 57 H LYS 57 -9.047 14.061 6.043 403 HA LYS 57 HA LYS 57 -7.714 13.642 3.526 404 1HB LYS 57 1HB LYS 57 -6.710 14.823 5.464 405 2HB LYS 57 2HB LYS 57 -6.698 13.325 6.390 406 1HG LYS 57 1HG LYS 57 -4.486 13.842 5.550 407 2HG LYS 57 2HG LYS 57 -5.059 12.335 4.841 408 1HD LYS 57 1HD LYS 57 -5.593 13.472 2.731 409 2HD LYS 57 2HD LYS 57 -5.167 15.044 3.419 410 1HE LYS 57 1HE LYS 57 -3.236 12.693 3.118 411 2HE LYS 57 2HE LYS 57 -3.433 13.968 1.914 412 1HZ LYS 57 1HZ LYS 57 -2.735 15.590 3.594 413 2HZ LYS 57 2HZ LYS 57 -2.511 14.411 4.705 414 3HZ LYS 57 3HZ LYS 57 -1.577 14.466 3.370 415 H HIS 58 H HIS 58 -8.496 11.421 6.193 416 HA HIS 58 HA HIS 58 -7.249 9.072 5.100 417 1HB HIS 58 1HB HIS 58 -7.905 9.358 7.460 418 2HB HIS 58 2HB HIS 58 -9.611 9.317 7.005 419 HD2 HIS 58 HD2 HIS 58 -10.711 6.950 6.608 420 HE1 HIS 58 HE1 HIS 58 -7.240 4.546 7.163 421 HE2 HIS 58 HE2 HIS 58 -9.761 4.500 6.877 422 H ALA 59 H ALA 59 -10.637 10.316 4.818 423 HA ALA 59 HA ALA 59 -11.630 8.190 3.207 424 1HB ALA 59 1HB ALA 59 -13.118 9.814 4.235 425 2HB ALA 59 2HB ALA 59 -12.422 11.139 3.273 426 3HB ALA 59 3HB ALA 59 -13.349 9.845 2.488 427 H ASN 60 H ASN 60 -9.969 11.215 2.211 428 HA ASN 60 HA ASN 60 -10.187 10.759 -0.629 429 1HB ASN 60 1HB ASN 60 -8.419 12.501 1.130 430 2HB ASN 60 2HB ASN 60 -8.099 12.345 -0.593 431 1HD2 ASN 60 1HD2 ASN 60 -10.549 13.462 1.755 432 2HD2 ASN 60 2HD2 ASN 60 -11.384 14.466 0.570 433 H LYS 61 H LYS 61 -7.538 9.946 1.694 434 HA LYS 61 HA LYS 61 -5.875 8.658 -0.290 435 1HB LYS 61 1HB LYS 61 -6.014 8.412 2.743 436 2HB LYS 61 2HB LYS 61 -4.867 7.525 1.750 437 1HG LYS 61 1HG LYS 61 -4.592 10.180 0.823 438 2HG LYS 61 2HG LYS 61 -4.847 10.362 2.556 439 1HD LYS 61 1HD LYS 61 -2.473 10.207 2.154 440 2HD LYS 61 2HD LYS 61 -2.998 8.719 2.955 441 1HE LYS 61 1HE LYS 61 -3.141 7.633 0.661 442 2HE LYS 61 2HE LYS 61 -2.450 9.114 -0.025 443 1HZ LYS 61 1HZ LYS 61 -0.501 8.661 1.508 444 2HZ LYS 61 2HZ LYS 61 -1.180 7.181 1.822 445 3HZ LYS 61 3HZ LYS 61 -0.699 7.561 0.317 446 H VAL 62 H VAL 62 -8.442 7.321 1.826 447 HA VAL 62 HA VAL 62 -8.114 4.594 0.949 448 HB VAL 62 HB VAL 62 -10.478 6.078 2.144 449 1HG1 VAL 62 1HG1 VAL 62 -11.451 4.234 0.849 450 2HG1 VAL 62 2HG1 VAL 62 -10.248 3.100 1.507 451 3HG1 VAL 62 3HG1 VAL 62 -11.477 3.828 2.564 452 1HG2 VAL 62 1HG2 VAL 62 -8.613 3.912 3.230 453 2HG2 VAL 62 2HG2 VAL 62 -8.467 5.634 3.600 454 3HG2 VAL 62 3HG2 VAL 62 -9.902 4.752 4.126 455 H ARG 63 H ARG 63 -10.114 7.289 -0.396 456 HA ARG 63 HA ARG 63 -11.353 5.761 -2.480 457 1HB ARG 63 1HB ARG 63 -11.019 8.615 -1.807 458 2HB ARG 63 2HB ARG 63 -10.824 8.356 -3.528 459 1HG ARG 63 1HG ARG 63 -13.116 8.826 -3.154 460 2HG ARG 63 2HG ARG 63 -12.991 7.119 -3.588 461 1HD ARG 63 1HD ARG 63 -13.153 6.540 -1.139 462 2HD ARG 63 2HD ARG 63 -13.341 8.269 -0.788 463 HE ARG 63 HE ARG 63 -15.235 7.097 -2.740 464 1HH1 ARG 63 1HH1 ARG 63 -14.888 8.017 0.660 465 2HH1 ARG 63 2HH1 ARG 63 -16.651 8.052 0.832 466 1HH2 ARG 63 1HH2 ARG 63 -17.446 7.186 -2.286 467 2HH2 ARG 63 2HH2 ARG 63 -17.930 7.608 -0.642 468 H ARG 64 H ARG 64 -8.188 7.405 -2.464 469 HA ARG 64 HA ARG 64 -7.492 6.628 -5.191 470 1HB ARG 64 1HB ARG 64 -5.743 7.438 -2.816 471 2HB ARG 64 2HB ARG 64 -5.141 7.157 -4.442 472 1HG ARG 64 1HG ARG 64 -7.081 9.339 -3.580 473 2HG ARG 64 2HG ARG 64 -5.400 9.540 -4.056 474 1HD ARG 64 1HD ARG 64 -7.728 8.719 -5.827 475 2HD ARG 64 2HD ARG 64 -6.862 10.253 -5.857 476 HE ARG 64 HE ARG 64 -4.801 8.688 -6.402 477 1HH1 ARG 64 1HH1 ARG 64 -8.003 8.429 -7.811 478 2HH1 ARG 64 2HH1 ARG 64 -7.401 7.650 -9.247 479 1HH2 ARG 64 1HH2 ARG 64 -4.110 7.698 -8.261 480 2HH2 ARG 64 2HH2 ARG 64 -5.256 7.263 -9.493 481 H TYR 65 H TYR 65 -6.672 5.162 -2.011 482 HA TYR 65 HA TYR 65 -5.174 3.003 -3.080 483 1HB TYR 65 1HB TYR 65 -5.162 3.602 -0.707 484 2HB TYR 65 2HB TYR 65 -6.851 3.123 -0.548 485 HD1 TYR 65 HD1 TYR 65 -7.297 0.959 0.265 486 HD2 TYR 65 HD2 TYR 65 -3.551 1.718 -1.736 487 HE1 TYR 65 HE1 TYR 65 -6.592 -1.396 0.686 488 HE2 TYR 65 HE2 TYR 65 -2.848 -0.634 -1.304 489 HH TYR 65 HH TYR 65 -4.951 -2.974 0.409 490 H MET 66 H MET 66 -8.721 3.204 -2.500 491 HA MET 66 HA MET 66 -9.345 0.526 -3.241 492 1HB MET 66 1HB MET 66 -10.953 3.100 -3.257 493 2HB MET 66 2HB MET 66 -11.650 1.548 -3.746 494 1HG MET 66 1HG MET 66 -10.297 2.035 -1.071 495 2HG MET 66 2HG MET 66 -12.036 2.114 -1.333 496 1HE MET 66 1HE MET 66 -9.403 0.103 0.130 497 2HE MET 66 2HE MET 66 -10.953 0.402 0.953 498 3HE MET 66 3HE MET 66 -10.439 -1.264 0.598 499 H ALA 67 H ALA 67 -8.767 3.375 -5.298 500 HA ALA 67 HA ALA 67 -9.649 2.039 -7.749 501 1HB ALA 67 1HB ALA 67 -9.746 4.497 -7.463 502 2HB ALA 67 2HB ALA 67 -7.976 4.558 -7.311 503 3HB ALA 67 3HB ALA 67 -8.720 4.038 -8.836 504 H ILE 68 H ILE 68 -6.526 2.685 -6.134 505 HA ILE 68 HA ILE 68 -4.820 1.594 -8.178 506 HB ILE 68 HB ILE 68 -4.432 2.194 -5.226 507 1HG1 ILE 68 1HG1 ILE 68 -3.313 3.633 -7.678 508 2HG1 ILE 68 2HG1 ILE 68 -4.842 4.081 -6.943 509 1HG2 ILE 68 1HG2 ILE 68 -2.300 1.371 -7.250 510 2HG2 ILE 68 2HG2 ILE 68 -1.974 2.014 -5.628 511 3HG2 ILE 68 3HG2 ILE 68 -2.778 0.468 -5.793 512 1HD1 ILE 68 1HD1 ILE 68 -2.118 4.247 -5.609 513 2HD1 ILE 68 2HD1 ILE 68 -3.180 5.572 -6.102 514 3HD1 ILE 68 3HD1 ILE 68 -3.665 4.508 -4.769 515 H ASN 69 H ASN 69 -6.221 0.101 -5.221 516 HA ASN 69 HA ASN 69 -4.771 -2.364 -5.582 517 1HB ASN 69 1HB ASN 69 -5.811 -3.105 -3.609 518 2HB ASN 69 2HB ASN 69 -5.479 -1.400 -3.395 519 1HD2 ASN 69 1HD2 ASN 69 -7.028 -1.117 -1.749 520 2HD2 ASN 69 2HD2 ASN 69 -8.754 -1.271 -2.065 521 H GLN 70 H GLN 70 -7.350 -1.321 -7.414 522 HA GLN 70 HA GLN 70 -9.071 -3.529 -7.628 523 1HB GLN 70 1HB GLN 70 -9.415 -1.251 -8.571 524 2HB GLN 70 2HB GLN 70 -8.203 -1.592 -9.815 525 1HG GLN 70 1HG GLN 70 -9.625 -3.428 -10.696 526 2HG GLN 70 2HG GLN 70 -10.792 -3.158 -9.399 527 1HE2 GLN 70 1HE2 GLN 70 -12.490 -1.729 -9.872 528 2HE2 GLN 70 2HE2 GLN 70 -12.454 -0.610 -11.227 529 H GLY 71 H GLY 71 -9.009 -5.493 -8.607 530 1HA GLY 71 1HA GLY 71 -7.436 -6.319 -10.809 531 2HA GLY 71 2HA GLY 71 -6.541 -6.712 -9.341 532 H GLU 72 H GLU 72 -6.793 -8.909 -10.203 533 HA GLU 72 HA GLU 72 -9.123 -10.298 -9.048 534 1HB GLU 72 1HB GLU 72 -9.535 -11.615 -11.041 535 2HB GLU 72 2HB GLU 72 -9.751 -9.901 -11.384 536 1HG GLU 72 1HG GLU 72 -7.358 -9.920 -12.344 537 2HG GLU 72 2HG GLU 72 -7.422 -11.677 -12.215 538 H ASP 73 H ASP 73 -8.749 -12.640 -8.839 539 HA ASP 73 HA ASP 73 -5.889 -13.472 -8.778 540 1HB ASP 73 1HB ASP 73 -6.589 -12.330 -6.623 541 2HB ASP 73 2HB ASP 73 -7.753 -13.629 -6.378 542 H SER 74 H SER 74 -8.389 -14.321 -10.327 543 HA SER 74 HA SER 74 -7.973 -17.233 -10.041 544 1HB SER 74 1HB SER 74 -10.381 -17.712 -10.001 545 2HB SER 74 2HB SER 74 -9.868 -16.820 -8.562 546 HG SER 74 HG SER 74 -11.809 -15.976 -9.446 547 H VAL 75 H VAL 75 -8.822 -18.481 -11.821 548 HA VAL 75 HA VAL 75 -9.628 -17.140 -14.290 549 HB VAL 75 HB VAL 75 -7.160 -16.842 -14.210 550 1HG1 VAL 75 1HG1 VAL 75 -6.512 -18.938 -13.041 551 2HG1 VAL 75 2HG1 VAL 75 -6.904 -19.857 -14.513 552 3HG1 VAL 75 3HG1 VAL 75 -5.607 -18.650 -14.532 553 1HG2 VAL 75 1HG2 VAL 75 -8.274 -16.896 -16.371 554 2HG2 VAL 75 2HG2 VAL 75 -6.647 -17.575 -16.461 555 3HG2 VAL 75 3HG2 VAL 75 -8.046 -18.661 -16.470 556 HA PRO 76 HA PRO 76 -11.569 -21.181 -14.445 557 1HB PRO 76 1HB PRO 76 -12.764 -21.159 -16.892 558 2HB PRO 76 2HB PRO 76 -13.275 -20.077 -15.562 559 1HG PRO 76 1HG PRO 76 -11.382 -19.436 -17.851 560 2HG PRO 76 2HG PRO 76 -12.814 -18.501 -17.309 561 1HD PRO 76 1HD PRO 76 -10.302 -17.873 -16.497 562 2HD PRO 76 2HD PRO 76 -11.693 -17.716 -15.391 563 H ALA 77 H ALA 77 -8.875 -20.422 -16.404 564 HA ALA 77 HA ALA 77 -8.699 -22.644 -18.155 565 1HB ALA 77 1HB ALA 77 -7.417 -20.544 -18.384 566 2HB ALA 77 2HB ALA 77 -6.500 -20.933 -16.907 567 3HB ALA 77 3HB ALA 77 -6.338 -21.949 -18.355 568 H LYS 78 H LYS 78 -7.196 -24.398 -18.141 569 HA LYS 78 HA LYS 78 -6.144 -25.467 -15.609 570 1HB LYS 78 1HB LYS 78 -8.589 -26.172 -15.774 571 2HB LYS 78 2HB LYS 78 -8.212 -26.981 -17.280 572 1HG LYS 78 1HG LYS 78 -8.364 -28.575 -15.463 573 2HG LYS 78 2HG LYS 78 -6.737 -28.563 -16.115 574 1HD LYS 78 1HD LYS 78 -6.715 -28.760 -13.685 575 2HD LYS 78 2HD LYS 78 -5.941 -27.251 -14.167 576 1HE LYS 78 1HE LYS 78 -8.019 -26.000 -13.639 577 2HE LYS 78 2HE LYS 78 -8.831 -27.514 -13.219 578 1HZ LYS 78 1HZ LYS 78 -6.469 -26.397 -11.797 579 2HZ LYS 78 2HZ LYS 78 -8.002 -26.378 -11.242 580 3HZ LYS 78 3HZ LYS 78 -7.219 -27.798 -11.411 581 H LYS 79 H LYS 79 -4.669 -27.206 -15.931 582 HA LYS 79 HA LYS 79 -3.879 -28.031 -18.646 583 1HB LYS 79 1HB LYS 79 -1.556 -27.344 -18.395 584 2HB LYS 79 2HB LYS 79 -2.628 -25.951 -18.325 585 1HG LYS 79 1HG LYS 79 -2.415 -25.954 -15.811 586 2HG LYS 79 2HG LYS 79 -1.311 -27.328 -15.936 587 1HD LYS 79 1HD LYS 79 -0.003 -25.348 -15.645 588 2HD LYS 79 2HD LYS 79 0.249 -25.924 -17.299 589 1HE LYS 79 1HE LYS 79 -1.363 -24.226 -18.136 590 2HE LYS 79 2HE LYS 79 -1.678 -23.695 -16.479 591 1HZ LYS 79 1HZ LYS 79 -0.063 -22.257 -17.577 592 2HZ LYS 79 2HZ LYS 79 0.657 -23.014 -16.325 593 3HZ LYS 79 3HZ LYS 79 0.949 -23.505 -17.858 594 H PHE 80 H PHE 80 -2.279 -29.736 -18.641 595 HA PHE 80 HA PHE 80 -1.994 -31.353 -16.166 596 1HB PHE 80 1HB PHE 80 -3.199 -32.411 -18.758 597 2HB PHE 80 2HB PHE 80 -2.887 -33.344 -17.307 598 HD1 PHE 80 HD1 PHE 80 -5.277 -31.248 -19.039 599 HD2 PHE 80 HD2 PHE 80 -4.193 -32.816 -15.167 600 HE1 PHE 80 HE1 PHE 80 -7.567 -30.772 -18.202 601 HE2 PHE 80 HE2 PHE 80 -6.485 -32.339 -14.335 602 HZ PHE 80 HZ PHE 80 -8.174 -31.320 -15.852 603 H LYS 81 H LYS 81 -0.666 -33.402 -16.724 604 HA LYS 81 HA LYS 81 1.853 -32.639 -17.919 605 1HB LYS 81 1HB LYS 81 1.562 -34.206 -16.007 606 2HB LYS 81 2HB LYS 81 0.845 -35.400 -17.099 607 1HG LYS 81 1HG LYS 81 2.942 -35.515 -18.387 608 2HG LYS 81 2HG LYS 81 3.670 -34.258 -17.379 609 1HD LYS 81 1HD LYS 81 2.739 -36.994 -16.395 610 2HD LYS 81 2HD LYS 81 4.402 -36.583 -16.835 611 1HE LYS 81 1HE LYS 81 4.429 -34.815 -15.076 612 2HE LYS 81 2HE LYS 81 2.790 -35.277 -14.597 613 1HZ LYS 81 1HZ LYS 81 4.452 -36.353 -13.197 614 2HZ LYS 81 2HZ LYS 81 3.648 -37.492 -14.044 615 3HZ LYS 81 3HZ LYS 81 5.165 -37.063 -14.482 616 H ALA 82 H ALA 82 -0.934 -34.405 -19.175 617 HA ALA 82 HA ALA 82 0.342 -35.451 -21.537 618 1HB ALA 82 1HB ALA 82 -2.598 -34.887 -20.936 619 2HB ALA 82 2HB ALA 82 -1.978 -35.930 -22.233 620 3HB ALA 82 3HB ALA 82 -1.725 -36.387 -20.540 621 H ALA 83 H ALA 83 -0.388 -34.856 -23.774 622 HA ALA 83 HA ALA 83 -0.552 -31.893 -24.182 623 1HB ALA 83 1HB ALA 83 1.680 -32.770 -24.625 624 2HB ALA 83 2HB ALA 83 1.016 -33.952 -25.773 625 3HB ALA 83 3HB ALA 83 0.901 -32.213 -26.120 626 HA PRO 84 HA PRO 84 -4.155 -34.014 -26.245 627 1HB PRO 84 1HB PRO 84 -6.251 -32.685 -25.131 628 2HB PRO 84 2HB PRO 84 -5.343 -33.948 -24.247 629 1HG PRO 84 1HG PRO 84 -4.918 -30.936 -24.123 630 2HG PRO 84 2HG PRO 84 -5.176 -32.068 -22.753 631 1HD PRO 84 1HD PRO 84 -2.677 -31.334 -23.541 632 2HD PRO 84 2HD PRO 84 -3.036 -33.000 -22.994 633 H ALA 85 H ALA 85 -3.074 -30.708 -26.444 634 HA ALA 85 HA ALA 85 -4.707 -30.361 -28.935 635 1HB ALA 85 1HB ALA 85 -4.536 -28.327 -26.672 636 2HB ALA 85 2HB ALA 85 -5.386 -28.111 -28.218 637 3HB ALA 85 3HB ALA 85 -5.953 -29.330 -27.063 638 H GLU 86 H GLU 86 -1.679 -29.978 -27.452 639 HA GLU 86 HA GLU 86 -0.562 -27.757 -28.855 640 1HB GLU 86 1HB GLU 86 0.667 -30.228 -27.566 641 2HB GLU 86 2HB GLU 86 1.580 -28.845 -28.155 642 1HG GLU 86 1HG GLU 86 1.362 -28.622 -25.785 643 2HG GLU 86 2HG GLU 86 0.446 -27.350 -26.576 644 H ILE 87 H ILE 87 1.093 -27.775 -30.507 645 HA ILE 87 HA ILE 87 0.370 -29.541 -32.755 646 HB ILE 87 HB ILE 87 2.370 -27.268 -32.744 647 1HG1 ILE 87 1HG1 ILE 87 0.325 -26.269 -31.909 648 2HG1 ILE 87 2HG1 ILE 87 0.611 -25.762 -33.553 649 1HG2 ILE 87 1HG2 ILE 87 0.767 -28.587 -34.973 650 2HG2 ILE 87 2HG2 ILE 87 1.687 -27.079 -35.157 651 3HG2 ILE 87 3HG2 ILE 87 2.529 -28.564 -34.766 652 1HD1 ILE 87 1HD1 ILE 87 -1.405 -27.897 -32.703 653 2HD1 ILE 87 2HD1 ILE 87 -1.766 -26.224 -33.155 654 3HD1 ILE 87 3HD1 ILE 87 -1.127 -27.340 -34.372 655 H SER 88 H SER 88 1.937 -30.681 -34.028 656 HA SER 88 HA SER 88 4.296 -31.716 -32.501 657 1HB SER 88 1HB SER 88 2.202 -33.192 -32.868 658 2HB SER 88 2HB SER 88 2.719 -33.281 -34.557 659 HG SER 88 HG SER 88 4.099 -34.139 -32.207 660 H ASP 89 H ASP 89 4.267 -29.433 -34.345 661 HA ASP 89 HA ASP 89 5.546 -30.226 -36.838 662 1HB ASP 89 1HB ASP 89 5.609 -27.889 -37.316 663 2HB ASP 89 2HB ASP 89 4.036 -28.284 -36.649 664 H GLY 90 H GLY 90 6.780 -29.967 -33.713 665 1HA GLY 90 1HA GLY 90 8.995 -30.349 -33.035 666 2HA GLY 90 2HA GLY 90 9.581 -29.961 -34.654 667 H GLU 91 H GLU 91 7.533 -27.443 -33.901 668 HA GLU 91 HA GLU 91 9.733 -25.766 -32.738 669 1HB GLU 91 1HB GLU 91 9.047 -25.277 -35.094 670 2HB GLU 91 2HB GLU 91 7.425 -24.883 -34.504 671 1HG GLU 91 1HG GLU 91 8.353 -23.065 -33.115 672 2HG GLU 91 2HG GLU 91 9.993 -23.510 -33.594 673 H ASP 92 H ASP 92 6.271 -26.595 -32.530 674 HA ASP 92 HA ASP 92 5.720 -24.794 -30.319 675 1HB ASP 92 1HB ASP 92 4.049 -25.776 -31.958 676 2HB ASP 92 2HB ASP 92 4.198 -27.306 -31.085 677 H ARG 93 H ARG 93 7.785 -27.295 -30.366 678 HA ARG 93 HA ARG 93 7.394 -28.941 -28.133 679 1HB ARG 93 1HB ARG 93 9.693 -29.401 -28.167 680 2HB ARG 93 2HB ARG 93 9.108 -29.280 -29.826 681 1HG ARG 93 1HG ARG 93 10.106 -26.998 -30.013 682 2HG ARG 93 2HG ARG 93 10.657 -27.112 -28.324 683 1HD ARG 93 1HD ARG 93 11.880 -29.209 -28.930 684 2HD ARG 93 2HD ARG 93 11.480 -28.925 -30.623 685 HE ARG 93 HE ARG 93 13.285 -27.290 -28.864 686 1HH1 ARG 93 1HH1 ARG 93 12.057 -27.625 -32.160 687 2HH1 ARG 93 2HH1 ARG 93 13.369 -26.664 -32.793 688 1HH2 ARG 93 1HH2 ARG 93 14.821 -26.054 -29.723 689 2HH2 ARG 93 2HH2 ARG 93 14.875 -25.776 -31.449 690 H SER 94 H SER 94 8.118 -25.563 -28.113 691 HA SER 94 HA SER 94 9.274 -25.113 -25.594 692 1HB SER 94 1HB SER 94 7.171 -23.494 -27.084 693 2HB SER 94 2HB SER 94 8.166 -22.897 -25.744 694 HG SER 94 HG SER 94 9.024 -22.397 -27.862 695 H LYS 95 H LYS 95 5.990 -26.151 -26.330 696 HA LYS 95 HA LYS 95 5.096 -25.655 -23.509 697 1HB LYS 95 1HB LYS 95 3.426 -26.513 -25.912 698 2HB LYS 95 2HB LYS 95 2.854 -25.997 -24.323 699 1HG LYS 95 1HG LYS 95 3.960 -23.720 -24.828 700 2HG LYS 95 2HG LYS 95 4.134 -24.300 -26.498 701 1HD LYS 95 1HD LYS 95 1.603 -24.767 -26.470 702 2HD LYS 95 2HD LYS 95 1.563 -23.956 -24.899 703 1HE LYS 95 1HE LYS 95 1.090 -22.128 -26.174 704 2HE LYS 95 2HE LYS 95 2.852 -22.029 -26.238 705 1HZ LYS 95 1HZ LYS 95 2.006 -21.851 -28.463 706 2HZ LYS 95 2HZ LYS 95 2.656 -23.359 -28.389 707 3HZ LYS 95 3HZ LYS 95 1.049 -23.164 -28.307 708 H CYS 96 H CYS 96 5.636 -28.330 -25.824 709 HA CYS 96 HA CYS 96 5.399 -30.229 -23.590 710 1HB CYS 96 1HB CYS 96 3.657 -31.546 -24.601 711 2HB CYS 96 2HB CYS 96 3.076 -29.877 -24.574 712 HG CYS 96 HG CYS 96 2.344 -31.046 -26.822 713 H CYS 97 H CYS 97 5.683 -32.481 -24.236 714 HA CYS 97 HA CYS 97 7.576 -32.934 -26.494 715 1HB CYS 97 1HB CYS 97 8.954 -32.585 -24.543 716 2HB CYS 97 2HB CYS 97 7.981 -33.716 -23.594 717 HA PRO 98 HA PRO 98 4.140 -36.022 -26.378 718 1HB PRO 98 1HB PRO 98 3.997 -36.564 -29.072 719 2HB PRO 98 2HB PRO 98 3.244 -35.136 -28.301 720 1HG PRO 98 1HG PRO 98 5.915 -35.291 -29.726 721 2HG PRO 98 2HG PRO 98 4.615 -34.073 -29.934 722 1HD PRO 98 1HD PRO 98 6.782 -33.618 -28.359 723 2HD PRO 98 2HD PRO 98 5.164 -33.002 -27.908 724 H VAL 99 H VAL 99 7.435 -36.300 -27.498 725 HA VAL 99 HA VAL 99 7.535 -39.133 -28.010 726 HB VAL 99 HB VAL 99 9.790 -37.399 -26.926 727 1HG1 VAL 99 1HG1 VAL 99 9.829 -39.912 -28.659 728 2HG1 VAL 99 2HG1 VAL 99 11.239 -38.993 -28.094 729 3HG1 VAL 99 3HG1 VAL 99 10.239 -39.864 -26.932 730 1HG2 VAL 99 1HG2 VAL 99 8.925 -37.838 -29.818 731 2HG2 VAL 99 2HG2 VAL 99 8.932 -36.291 -28.941 732 3HG2 VAL 99 3HG2 VAL 99 10.457 -37.094 -29.313 733 H CYS 100 H CYS 100 7.776 -37.184 -25.070 734 HA CYS 100 HA CYS 100 8.044 -39.620 -23.349 735 1HB CYS 100 1HB CYS 100 8.614 -36.677 -22.834 736 2HB CYS 100 2HB CYS 100 8.829 -37.990 -21.696 737 H ASN 101 H ASN 101 5.829 -37.372 -24.381 738 HA ASN 101 HA ASN 101 3.816 -36.595 -23.889 739 1HB ASN 101 1HB ASN 101 3.277 -39.018 -24.003 740 2HB ASN 101 2HB ASN 101 3.463 -39.124 -22.249 741 1HD2 ASN 101 1HD2 ASN 101 1.260 -39.724 -21.906 742 2HD2 ASN 101 2HD2 ASN 101 -0.045 -38.578 -22.172 743 H MET 102 H MET 102 5.332 -35.065 -22.786 744 HA MET 102 HA MET 102 4.283 -34.439 -20.059 745 1HB MET 102 1HB MET 102 7.200 -34.296 -20.898 746 2HB MET 102 2HB MET 102 6.527 -33.644 -19.398 747 1HG MET 102 1HG MET 102 5.646 -36.005 -18.927 748 2HG MET 102 2HG MET 102 6.719 -36.549 -20.215 749 1HE MET 102 1HE MET 102 9.293 -34.554 -19.743 750 2HE MET 102 2HE MET 102 10.270 -35.640 -18.734 751 3HE MET 102 3HE MET 102 9.382 -36.289 -20.130 752 H THR 103 H THR 103 4.702 -32.153 -19.428 753 HA THR 103 HA THR 103 4.711 -30.217 -21.691 754 HB THR 103 HB THR 103 3.050 -28.872 -20.340 755 HG1 THR 103 HG1 THR 103 1.680 -30.389 -19.072 756 1HG2 THR 103 1HG2 THR 103 2.360 -29.993 -22.371 757 2HG2 THR 103 2HG2 THR 103 2.133 -31.524 -21.508 758 3HG2 THR 103 3HG2 THR 103 1.086 -30.132 -21.152 759 H PHE 104 H PHE 104 5.260 -28.035 -21.129 760 HA PHE 104 HA PHE 104 7.030 -27.789 -18.730 761 1HB PHE 104 1HB PHE 104 7.744 -26.635 -21.433 762 2HB PHE 104 2HB PHE 104 8.750 -26.822 -20.026 763 HD1 PHE 104 HD1 PHE 104 9.129 -29.349 -19.204 764 HD2 PHE 104 HD2 PHE 104 7.913 -28.206 -23.182 765 HE1 PHE 104 HE1 PHE 104 9.985 -31.506 -20.090 766 HE2 PHE 104 HE2 PHE 104 8.795 -30.339 -24.065 767 HZ PHE 104 HZ PHE 104 9.818 -32.007 -22.512 768 H SER 105 H SER 105 7.263 -25.778 -17.809 769 HA SER 105 HA SER 105 5.097 -23.848 -18.232 770 1HB SER 105 1HB SER 105 6.083 -22.806 -16.191 771 2HB SER 105 2HB SER 105 5.674 -24.517 -15.982 772 HG SER 105 HG SER 105 7.769 -24.005 -15.159 773 H SER 106 H SER 106 8.272 -24.147 -19.473 774 HA SER 106 HA SER 106 8.265 -21.414 -20.555 775 1HB SER 106 1HB SER 106 9.358 -20.869 -18.543 776 2HB SER 106 2HB SER 106 10.187 -22.423 -18.450 777 HG SER 106 HG SER 106 11.511 -20.573 -19.050 778 HA PRO 107 HA PRO 107 10.256 -23.594 -23.919 779 1HB PRO 107 1HB PRO 107 11.781 -21.596 -25.078 780 2HB PRO 107 2HB PRO 107 10.012 -21.737 -25.263 781 1HG PRO 107 1HG PRO 107 11.537 -20.002 -23.311 782 2HG PRO 107 2HG PRO 107 10.163 -19.544 -24.369 783 1HD PRO 107 1HD PRO 107 9.770 -20.155 -21.772 784 2HD PRO 107 2HD PRO 107 8.612 -20.715 -23.010 785 H VAL 108 H VAL 108 12.227 -21.764 -21.567 786 HA VAL 108 HA VAL 108 14.768 -22.925 -22.316 787 HB VAL 108 HB VAL 108 13.966 -21.881 -19.569 788 1HG1 VAL 108 1HG1 VAL 108 16.407 -21.382 -19.402 789 2HG1 VAL 108 2HG1 VAL 108 16.106 -23.111 -19.580 790 3HG1 VAL 108 3HG1 VAL 108 16.662 -22.168 -20.978 791 1HG2 VAL 108 1HG2 VAL 108 15.110 -20.375 -21.968 792 2HG2 VAL 108 2HG2 VAL 108 13.514 -20.116 -21.225 793 3HG2 VAL 108 3HG2 VAL 108 14.974 -19.725 -20.318 794 H VAL 109 H VAL 109 12.198 -23.917 -20.059 795 HA VAL 109 HA VAL 109 13.566 -26.221 -18.962 796 HB VAL 109 HB VAL 109 10.570 -25.704 -19.220 797 1HG1 VAL 109 1HG1 VAL 109 11.067 -28.080 -18.731 798 2HG1 VAL 109 2HG1 VAL 109 12.112 -27.591 -17.384 799 3HG1 VAL 109 3HG1 VAL 109 10.363 -27.276 -17.325 800 1HG2 VAL 109 1HG2 VAL 109 12.463 -25.174 -16.880 801 2HG2 VAL 109 2HG2 VAL 109 11.743 -23.922 -17.905 802 3HG2 VAL 109 3HG2 VAL 109 10.702 -24.923 -16.887 803 H ALA 110 H ALA 110 11.374 -25.740 -21.756 804 HA ALA 110 HA ALA 110 11.197 -28.465 -22.561 805 1HB ALA 110 1HB ALA 110 11.102 -25.955 -24.293 806 2HB ALA 110 2HB ALA 110 10.467 -27.555 -24.691 807 3HB ALA 110 3HB ALA 110 9.733 -26.611 -23.373 808 H GLU 111 H GLU 111 13.477 -25.887 -23.733 809 HA GLU 111 HA GLU 111 14.972 -27.642 -25.437 810 1HB GLU 111 1HB GLU 111 15.848 -25.097 -24.009 811 2HB GLU 111 2HB GLU 111 16.783 -25.921 -25.255 812 1HG GLU 111 1HG GLU 111 14.041 -24.661 -25.658 813 2HG GLU 111 2HG GLU 111 15.581 -23.967 -26.129 814 H SER 112 H SER 112 15.439 -26.813 -21.986 815 HA SER 112 HA SER 112 17.865 -28.242 -21.569 816 1HB SER 112 1HB SER 112 16.867 -26.601 -20.000 817 2HB SER 112 2HB SER 112 15.584 -27.765 -19.613 818 HG SER 112 HG SER 112 17.356 -27.803 -18.114 819 H HIS 113 H HIS 113 14.445 -29.370 -21.431 820 HA HIS 113 HA HIS 113 15.079 -32.055 -20.586 821 1HB HIS 113 1HB HIS 113 12.838 -31.173 -20.304 822 2HB HIS 113 2HB HIS 113 12.673 -30.879 -22.036 823 HD1 HIS 113 HD1 HIS 113 12.824 -33.857 -19.578 824 HD2 HIS 113 HD2 HIS 113 12.082 -32.954 -23.623 825 HE1 HIS 113 HE1 HIS 113 11.991 -36.014 -20.665 826 H TYR 114 H TYR 114 14.416 -30.676 -23.874 827 HA TYR 114 HA TYR 114 14.740 -33.101 -25.294 828 1HB TYR 114 1HB TYR 114 14.780 -30.202 -26.025 829 2HB TYR 114 2HB TYR 114 15.461 -31.329 -27.175 830 HD1 TYR 114 HD1 TYR 114 12.299 -30.696 -25.209 831 HD2 TYR 114 HD2 TYR 114 14.123 -32.576 -28.634 832 HE1 TYR 114 HE1 TYR 114 10.047 -31.264 -26.102 833 HE2 TYR 114 HE2 TYR 114 11.872 -33.164 -29.508 834 HH TYR 114 HH TYR 114 9.615 -33.051 -29.177 835 H ILE 115 H ILE 115 17.329 -30.882 -24.213 836 HA ILE 115 HA ILE 115 19.335 -32.485 -25.686 837 HB ILE 115 HB ILE 115 20.997 -30.936 -24.932 838 1HG1 ILE 115 1HG1 ILE 115 20.204 -28.744 -23.824 839 2HG1 ILE 115 2HG1 ILE 115 18.839 -29.668 -23.218 840 1HG2 ILE 115 1HG2 ILE 115 19.619 -30.471 -26.934 841 2HG2 ILE 115 2HG2 ILE 115 18.548 -29.451 -25.949 842 3HG2 ILE 115 3HG2 ILE 115 20.249 -29.005 -26.172 843 1HD1 ILE 115 1HD1 ILE 115 20.323 -31.081 -21.895 844 2HD1 ILE 115 2HD1 ILE 115 21.753 -30.361 -22.676 845 3HD1 ILE 115 3HD1 ILE 115 20.726 -29.389 -21.606 846 H GLY 116 H GLY 116 17.771 -32.918 -22.753 847 1HA GLY 116 1HA GLY 116 20.029 -33.905 -21.185 848 2HA GLY 116 2HA GLY 116 18.324 -33.965 -20.756 849 H LYS 117 H LYS 117 20.290 -36.033 -20.404 850 HA LYS 117 HA LYS 117 20.137 -38.112 -22.356 851 1HB LYS 117 1HB LYS 117 20.540 -38.368 -19.342 852 2HB LYS 117 2HB LYS 117 20.899 -39.608 -20.540 853 1HG LYS 117 1HG LYS 117 22.305 -36.925 -20.240 854 2HG LYS 117 2HG LYS 117 22.937 -38.517 -19.822 855 1HD LYS 117 1HD LYS 117 22.736 -39.173 -22.257 856 2HD LYS 117 2HD LYS 117 22.324 -37.495 -22.634 857 1HE LYS 117 1HE LYS 117 24.900 -38.414 -21.280 858 2HE LYS 117 2HE LYS 117 24.732 -38.092 -23.006 859 1HZ LYS 117 1HZ LYS 117 24.164 -35.780 -22.459 860 2HZ LYS 117 2HZ LYS 117 24.368 -36.070 -20.859 861 3HZ LYS 117 3HZ LYS 117 25.636 -36.168 -21.875 862 H THR 118 H THR 118 17.849 -37.320 -19.777 863 HA THR 118 HA THR 118 16.309 -39.696 -19.765 864 HB THR 118 HB THR 118 15.243 -36.862 -19.465 865 HG1 THR 118 HG1 THR 118 15.776 -37.138 -17.287 866 1HG2 THR 118 1HG2 THR 118 13.459 -38.570 -19.490 867 2HG2 THR 118 2HG2 THR 118 14.337 -39.526 -18.274 868 3HG2 THR 118 3HG2 THR 118 13.672 -37.929 -17.856 869 H HIS 119 H HIS 119 16.093 -36.861 -21.963 870 HA HIS 119 HA HIS 119 13.806 -37.845 -23.449 871 1HB HIS 119 1HB HIS 119 14.496 -35.476 -23.343 872 2HB HIS 119 2HB HIS 119 15.967 -35.853 -24.249 873 HD2 HIS 119 HD2 HIS 119 15.753 -35.870 -26.865 874 HE1 HIS 119 HE1 HIS 119 11.510 -35.598 -27.184 875 HE2 HIS 119 HE2 HIS 119 13.695 -35.574 -28.488 876 H ILE 120 H ILE 120 17.347 -38.024 -23.951 877 HA ILE 120 HA ILE 120 17.299 -39.384 -26.458 878 HB ILE 120 HB ILE 120 19.426 -39.318 -24.303 879 1HG1 ILE 120 1HG1 ILE 120 19.005 -37.759 -26.907 880 2HG1 ILE 120 2HG1 ILE 120 18.773 -37.122 -25.283 881 1HG2 ILE 120 1HG2 ILE 120 19.645 -40.256 -27.204 882 2HG2 ILE 120 2HG2 ILE 120 20.994 -40.082 -26.059 883 3HG2 ILE 120 3HG2 ILE 120 19.767 -41.298 -25.768 884 1HD1 ILE 120 1HD1 ILE 120 20.860 -36.297 -26.060 885 2HD1 ILE 120 2HD1 ILE 120 21.204 -37.497 -24.800 886 3HD1 ILE 120 3HD1 ILE 120 21.429 -37.907 -26.521 887 H LYS 121 H LYS 121 17.314 -40.703 -23.123 888 HA LYS 121 HA LYS 121 17.313 -43.496 -23.864 889 1HB LYS 121 1HB LYS 121 16.295 -42.001 -21.410 890 2HB LYS 121 2HB LYS 121 16.234 -43.762 -21.560 891 1HG LYS 121 1HG LYS 121 18.655 -43.903 -21.802 892 2HG LYS 121 2HG LYS 121 18.807 -42.136 -21.776 893 1HD LYS 121 1HD LYS 121 17.898 -42.079 -19.487 894 2HD LYS 121 2HD LYS 121 17.739 -43.854 -19.509 895 1HE LYS 121 1HE LYS 121 20.194 -44.052 -19.879 896 2HE LYS 121 2HE LYS 121 20.344 -42.291 -19.823 897 1HZ LYS 121 1HZ LYS 121 19.392 -43.995 -17.578 898 2HZ LYS 121 2HZ LYS 121 20.862 -43.295 -17.671 899 3HZ LYS 121 3HZ LYS 121 19.528 -42.368 -17.520 900 H ASN 122 H ASN 122 14.666 -41.134 -23.535 901 HA ASN 122 HA ASN 122 12.563 -43.069 -23.961 902 1HB ASN 122 1HB ASN 122 12.701 -40.059 -23.938 903 2HB ASN 122 2HB ASN 122 11.304 -40.854 -24.656 904 1HD2 ASN 122 1HD2 ASN 122 13.107 -40.465 -21.607 905 2HD2 ASN 122 2HD2 ASN 122 11.774 -41.048 -20.611 906 H LEU 123 H LEU 123 14.669 -41.353 -26.280 907 HA LEU 123 HA LEU 123 13.087 -41.777 -28.629 908 1HB LEU 123 1HB LEU 123 16.119 -42.036 -28.467 909 2HB LEU 123 2HB LEU 123 15.164 -41.706 -29.896 910 HG LEU 123 HG LEU 123 15.518 -39.826 -27.543 911 1HD1 LEU 123 1HD1 LEU 123 17.579 -40.158 -28.859 912 2HD1 LEU 123 2HD1 LEU 123 16.699 -39.730 -30.342 913 3HD1 LEU 123 3HD1 LEU 123 16.931 -38.522 -29.057 914 1HD2 LEU 123 1HD2 LEU 123 14.555 -38.104 -28.977 915 2HD2 LEU 123 2HD2 LEU 123 14.204 -39.321 -30.232 916 3HD2 LEU 123 3HD2 LEU 123 13.390 -39.395 -28.649 917 H ARG 124 H ARG 124 15.522 -43.860 -27.064 918 HA ARG 124 HA ARG 124 15.238 -46.152 -28.786 919 1HB ARG 124 1HB ARG 124 16.205 -45.975 -25.894 920 2HB ARG 124 2HB ARG 124 16.398 -47.368 -26.960 921 1HG ARG 124 1HG ARG 124 17.765 -45.976 -28.527 922 2HG ARG 124 2HG ARG 124 17.585 -44.593 -27.440 923 1HD ARG 124 1HD ARG 124 19.727 -45.553 -27.024 924 2HD ARG 124 2HD ARG 124 18.694 -45.891 -25.624 925 HE ARG 124 HE ARG 124 18.609 -48.069 -27.524 926 1HH1 ARG 124 1HH1 ARG 124 20.763 -46.747 -25.097 927 2HH1 ARG 124 2HH1 ARG 124 21.535 -48.283 -24.814 928 1HH2 ARG 124 1HH2 ARG 124 19.630 -50.000 -27.108 929 2HH2 ARG 124 2HH2 ARG 124 20.908 -50.070 -25.931 930 H LEU 125 H LEU 125 13.530 -45.200 -25.839 931 HA LEU 125 HA LEU 125 12.097 -47.642 -25.410 932 1HB LEU 125 1HB LEU 125 12.496 -45.782 -23.798 933 2HB LEU 125 2HB LEU 125 11.304 -44.800 -24.642 934 HG LEU 125 HG LEU 125 10.587 -47.509 -23.460 935 1HD1 LEU 125 1HD1 LEU 125 9.836 -46.298 -21.444 936 2HD1 LEU 125 2HD1 LEU 125 11.580 -46.127 -21.676 937 3HD1 LEU 125 3HD1 LEU 125 10.496 -44.781 -22.099 938 1HD2 LEU 125 1HD2 LEU 125 8.947 -45.005 -24.097 939 2HD2 LEU 125 2HD2 LEU 125 8.840 -46.572 -24.931 940 3HD2 LEU 125 3HD2 LEU 125 8.326 -46.440 -23.258 941 H ARG 126 H ARG 126 11.147 -44.638 -27.195 942 HA ARG 126 HA ARG 126 8.584 -45.691 -28.049 943 1HB ARG 126 1HB ARG 126 10.271 -43.458 -29.259 944 2HB ARG 126 2HB ARG 126 8.590 -43.795 -29.656 945 1HG ARG 126 1HG ARG 126 9.658 -42.837 -26.976 946 2HG ARG 126 2HG ARG 126 8.721 -41.912 -28.132 947 1HD ARG 126 1HD ARG 126 7.695 -44.350 -26.619 948 2HD ARG 126 2HD ARG 126 7.472 -42.688 -26.120 949 HE ARG 126 HE ARG 126 6.187 -44.036 -28.442 950 1HH1 ARG 126 1HH1 ARG 126 6.501 -41.080 -26.613 951 2HH1 ARG 126 2HH1 ARG 126 5.091 -40.344 -27.323 952 1HH2 ARG 126 1HH2 ARG 126 4.368 -43.080 -29.322 953 2HH2 ARG 126 2HH2 ARG 126 3.891 -41.490 -28.800 954 H GLU 127 H GLU 127 11.782 -46.143 -29.372 955 HA GLU 127 HA GLU 127 10.856 -47.144 -31.958 956 1HB GLU 127 1HB GLU 127 13.537 -47.156 -30.527 957 2HB GLU 127 2HB GLU 127 13.285 -47.993 -32.059 958 1HG GLU 127 1HG GLU 127 12.505 -45.889 -33.109 959 2HG GLU 127 2HG GLU 127 12.841 -45.015 -31.621 960 H GLN 128 H GLN 128 10.856 -48.638 -28.834 961 HA GLN 128 HA GLN 128 11.459 -51.338 -29.615 962 1HB GLN 128 1HB GLN 128 9.690 -50.366 -27.331 963 2HB GLN 128 2HB GLN 128 10.322 -51.998 -27.533 964 1HG GLN 128 1HG GLN 128 11.918 -49.479 -26.969 965 2HG GLN 128 2HG GLN 128 11.662 -50.837 -25.891 966 1HE2 GLN 128 1HE2 GLN 128 13.889 -49.453 -27.976 967 2HE2 GLN 128 2HE2 GLN 128 14.858 -50.897 -28.301 Start of MODEL 3 1 1H ALA 2 1H ALA 2 -23.585 27.909 -9.911 2 HA ALA 2 HA ALA 2 -22.036 25.637 -10.948 3 1HB ALA 2 1HB ALA 2 -20.861 28.461 -10.812 4 2HB ALA 2 2HB ALA 2 -19.958 26.975 -11.183 5 3HB ALA 2 3HB ALA 2 -21.201 27.555 -12.303 6 H ASP 3 H ASP 3 -20.050 25.285 -9.468 7 HA ASP 3 HA ASP 3 -20.874 25.081 -6.761 8 1HB ASP 3 1HB ASP 3 -18.700 24.239 -6.294 9 2HB ASP 3 2HB ASP 3 -19.230 23.599 -7.842 10 H GLU 4 H GLU 4 -19.231 27.725 -8.382 11 HA GLU 4 HA GLU 4 -18.234 29.161 -6.102 12 1HB GLU 4 1HB GLU 4 -19.175 30.032 -8.864 13 2HB GLU 4 2HB GLU 4 -18.444 31.146 -7.716 14 1HG GLU 4 1HG GLU 4 -17.021 28.635 -8.691 15 2HG GLU 4 2HG GLU 4 -16.917 30.189 -9.500 16 H PHE 5 H PHE 5 -21.458 28.533 -7.015 17 HA PHE 5 HA PHE 5 -22.534 30.546 -5.106 18 1HB PHE 5 1HB PHE 5 -22.701 31.256 -7.536 19 2HB PHE 5 2HB PHE 5 -23.712 29.852 -7.826 20 HD1 PHE 5 HD1 PHE 5 -23.472 32.847 -5.535 21 HD2 PHE 5 HD2 PHE 5 -26.051 30.194 -7.751 22 HE1 PHE 5 HE1 PHE 5 -25.439 34.233 -4.910 23 HE2 PHE 5 HE2 PHE 5 -28.014 31.583 -7.128 24 HZ PHE 5 HZ PHE 5 -27.712 33.602 -5.704 25 H GLY 6 H GLY 6 -21.981 27.436 -5.258 26 1HA GLY 6 1HA GLY 6 -24.328 26.654 -3.714 27 2HA GLY 6 2HA GLY 6 -24.303 25.927 -5.321 28 H ASN 7 H ASN 7 -21.382 26.509 -3.347 29 HA ASN 7 HA ASN 7 -20.397 23.865 -3.618 30 1HB ASN 7 1HB ASN 7 -19.045 25.934 -3.158 31 2HB ASN 7 2HB ASN 7 -19.718 25.982 -1.529 32 1HD2 ASN 7 1HD2 ASN 7 -17.749 25.663 -0.416 33 2HD2 ASN 7 2HD2 ASN 7 -16.826 24.176 -0.573 34 H GLY 8 H GLY 8 -20.121 22.161 -2.104 35 1HA GLY 8 1HA GLY 8 -21.218 22.056 0.523 36 2HA GLY 8 2HA GLY 8 -22.373 21.341 -0.601 37 H ASP 9 H ASP 9 -21.463 19.744 1.309 38 HA ASP 9 HA ASP 9 -19.949 17.660 -0.092 39 1HB ASP 9 1HB ASP 9 -18.262 19.211 1.052 40 2HB ASP 9 2HB ASP 9 -18.965 18.714 2.587 41 H ALA 10 H ALA 10 -19.732 15.730 1.433 42 HA ALA 10 HA ALA 10 -22.027 15.289 3.269 43 1HB ALA 10 1HB ALA 10 -21.203 13.477 0.959 44 2HB ALA 10 2HB ALA 10 -22.488 13.149 2.145 45 3HB ALA 10 3HB ALA 10 -22.670 14.490 1.007 46 H LEU 11 H LEU 11 -21.589 12.848 4.218 47 HA LEU 11 HA LEU 11 -18.692 12.591 4.814 48 1HB LEU 11 1HB LEU 11 -20.036 13.930 6.611 49 2HB LEU 11 2HB LEU 11 -20.747 12.368 7.017 50 HG LEU 11 HG LEU 11 -18.254 11.535 7.176 51 1HD1 LEU 11 1HD1 LEU 11 -17.208 13.542 6.146 52 2HD1 LEU 11 2HD1 LEU 11 -17.835 14.541 7.471 53 3HD1 LEU 11 3HD1 LEU 11 -16.633 13.275 7.801 54 1HD2 LEU 11 1HD2 LEU 11 -19.334 13.530 9.212 55 2HD2 LEU 11 2HD2 LEU 11 -19.737 11.800 9.130 56 3HD2 LEU 11 3HD2 LEU 11 -18.082 12.300 9.510 57 H ASP 12 H ASP 12 -18.036 10.737 4.306 58 HA ASP 12 HA ASP 12 -19.671 8.262 4.571 59 1HB ASP 12 1HB ASP 12 -18.598 7.430 2.595 60 2HB ASP 12 2HB ASP 12 -19.355 8.972 2.239 61 H LEU 13 H LEU 13 -18.329 9.246 6.696 62 HA LEU 13 HA LEU 13 -16.012 7.417 7.193 63 1HB LEU 13 1HB LEU 13 -16.450 10.372 7.782 64 2HB LEU 13 2HB LEU 13 -15.276 9.474 8.688 65 HG LEU 13 HG LEU 13 -15.111 9.377 5.671 66 1HD1 LEU 13 1HD1 LEU 13 -14.111 11.655 7.408 67 2HD1 LEU 13 2HD1 LEU 13 -13.733 11.392 5.692 68 3HD1 LEU 13 3HD1 LEU 13 -15.406 11.740 6.193 69 1HD2 LEU 13 1HD2 LEU 13 -12.688 9.214 6.182 70 2HD2 LEU 13 2HD2 LEU 13 -13.030 9.408 7.903 71 3HD2 LEU 13 3HD2 LEU 13 -13.598 7.961 7.039 72 HA PRO 14 HA PRO 14 -18.101 6.366 11.008 73 1HB PRO 14 1HB PRO 14 -16.054 6.170 12.837 74 2HB PRO 14 2HB PRO 14 -16.316 4.979 11.525 75 1HG PRO 14 1HG PRO 14 -14.402 7.321 11.537 76 2HG PRO 14 2HG PRO 14 -14.069 5.623 11.095 77 1HD PRO 14 1HD PRO 14 -14.598 7.497 9.220 78 2HD PRO 14 2HD PRO 14 -15.246 5.849 9.039 79 H VAL 15 H VAL 15 -18.724 7.248 13.101 80 HA VAL 15 HA VAL 15 -17.886 10.043 13.668 81 HB VAL 15 HB VAL 15 -20.836 9.424 13.772 82 1HG1 VAL 15 1HG1 VAL 15 -19.932 11.566 14.739 83 2HG1 VAL 15 2HG1 VAL 15 -19.251 11.969 13.154 84 3HG1 VAL 15 3HG1 VAL 15 -21.010 11.854 13.373 85 1HG2 VAL 15 1HG2 VAL 15 -19.409 10.349 11.247 86 2HG2 VAL 15 2HG2 VAL 15 -20.342 8.846 11.448 87 3HG2 VAL 15 3HG2 VAL 15 -21.162 10.402 11.523 88 H GLY 16 H GLY 16 -17.208 7.584 14.987 89 1HA GLY 16 1HA GLY 16 -17.354 8.376 17.671 90 2HA GLY 16 2HA GLY 16 -18.683 7.240 17.441 91 H LYS 17 H LYS 17 -16.831 6.674 19.253 92 HA LYS 17 HA LYS 17 -14.518 5.198 18.588 93 1HB LYS 17 1HB LYS 17 -14.992 6.011 20.815 94 2HB LYS 17 2HB LYS 17 -16.480 5.081 20.911 95 1HG LYS 17 1HG LYS 17 -14.769 4.136 22.318 96 2HG LYS 17 2HG LYS 17 -15.250 2.990 21.066 97 1HD LYS 17 1HD LYS 17 -13.169 3.385 19.835 98 2HD LYS 17 2HD LYS 17 -12.769 4.749 20.888 99 1HE LYS 17 1HE LYS 17 -11.437 2.826 21.518 100 2HE LYS 17 2HE LYS 17 -12.529 3.279 22.822 101 1HZ LYS 17 1HZ LYS 17 -13.972 1.430 22.185 102 2HZ LYS 17 2HZ LYS 17 -12.999 1.031 20.927 103 3HZ LYS 17 3HZ LYS 17 -12.468 0.875 22.462 104 H ASP 18 H ASP 18 -17.866 3.999 18.911 105 HA ASP 18 HA ASP 18 -17.258 1.222 18.511 106 1HB ASP 18 1HB ASP 18 -19.804 2.812 17.992 107 2HB ASP 18 2HB ASP 18 -19.691 1.054 17.922 108 H ALA 19 H ALA 19 -18.201 3.791 16.165 109 HA ALA 19 HA ALA 19 -18.245 2.061 13.874 110 1HB ALA 19 1HB ALA 19 -17.819 5.074 14.056 111 2HB ALA 19 2HB ALA 19 -18.234 4.151 12.590 112 3HB ALA 19 3HB ALA 19 -19.387 4.240 13.935 113 H VAL 20 H VAL 20 -15.634 4.146 15.248 114 HA VAL 20 HA VAL 20 -13.685 3.512 13.214 115 HB VAL 20 HB VAL 20 -13.331 4.450 16.086 116 1HG1 VAL 20 1HG1 VAL 20 -11.001 5.101 15.291 117 2HG1 VAL 20 2HG1 VAL 20 -11.250 3.368 15.489 118 3HG1 VAL 20 3HG1 VAL 20 -11.277 4.085 13.863 119 1HG2 VAL 20 1HG2 VAL 20 -12.803 6.612 15.003 120 2HG2 VAL 20 2HG2 VAL 20 -13.073 5.892 13.404 121 3HG2 VAL 20 3HG2 VAL 20 -14.421 6.079 14.548 122 H ASN 21 H ASN 21 -14.447 1.913 16.364 123 HA ASN 21 HA ASN 21 -12.379 -0.045 16.260 124 1HB ASN 21 1HB ASN 21 -13.625 0.401 18.280 125 2HB ASN 21 2HB ASN 21 -15.159 0.017 17.511 126 1HD2 ASN 21 1HD2 ASN 21 -15.818 -2.130 17.336 127 2HD2 ASN 21 2HD2 ASN 21 -14.900 -3.445 18.061 128 H SER 22 H SER 22 -15.763 -0.204 14.973 129 HA SER 22 HA SER 22 -15.489 -2.844 13.855 130 1HB SER 22 1HB SER 22 -17.350 -0.541 13.150 131 2HB SER 22 2HB SER 22 -17.476 -2.182 12.480 132 HG SER 22 HG SER 22 -18.810 -1.866 14.348 133 H LEU 23 H LEU 23 -14.885 0.411 12.448 134 HA LEU 23 HA LEU 23 -14.357 -0.460 9.784 135 1HB LEU 23 1HB LEU 23 -14.827 1.882 10.539 136 2HB LEU 23 2HB LEU 23 -13.266 1.920 11.355 137 HG LEU 23 HG LEU 23 -12.125 1.668 9.138 138 1HD1 LEU 23 1HD1 LEU 23 -14.959 2.005 8.046 139 2HD1 LEU 23 2HD1 LEU 23 -13.467 2.100 7.085 140 3HD1 LEU 23 3HD1 LEU 23 -13.930 0.572 7.841 141 1HD2 LEU 23 1HD2 LEU 23 -14.122 3.947 9.395 142 2HD2 LEU 23 2HD2 LEU 23 -12.516 3.877 10.153 143 3HD2 LEU 23 3HD2 LEU 23 -12.653 3.974 8.389 144 H ILE 24 H ILE 24 -12.160 -0.072 12.586 145 HA ILE 24 HA ILE 24 -9.750 -0.872 11.211 146 HB ILE 24 HB ILE 24 -10.555 -0.904 14.144 147 1HG1 ILE 24 1HG1 ILE 24 -8.542 0.895 12.714 148 2HG1 ILE 24 2HG1 ILE 24 -10.234 1.331 12.892 149 1HG2 ILE 24 1HG2 ILE 24 -8.103 -1.230 14.632 150 2HG2 ILE 24 2HG2 ILE 24 -8.839 -2.630 13.879 151 3HG2 ILE 24 3HG2 ILE 24 -7.847 -1.530 12.899 152 1HD1 ILE 24 1HD1 ILE 24 -9.987 1.089 15.402 153 2HD1 ILE 24 2HD1 ILE 24 -8.231 0.931 15.145 154 3HD1 ILE 24 3HD1 ILE 24 -9.068 2.411 14.669 155 H ARG 25 H ARG 25 -12.127 -2.719 13.192 156 HA ARG 25 HA ARG 25 -10.903 -5.272 13.006 157 1HB ARG 25 1HB ARG 25 -12.687 -4.644 14.588 158 2HB ARG 25 2HB ARG 25 -13.857 -4.557 13.255 159 1HG ARG 25 1HG ARG 25 -13.605 -6.926 12.830 160 2HG ARG 25 2HG ARG 25 -12.347 -7.040 14.094 161 1HD ARG 25 1HD ARG 25 -14.007 -6.348 15.790 162 2HD ARG 25 2HD ARG 25 -15.251 -6.224 14.526 163 HE ARG 25 HE ARG 25 -14.117 -8.838 14.435 164 1HH1 ARG 25 1HH1 ARG 25 -16.215 -7.001 16.556 165 2HH1 ARG 25 2HH1 ARG 25 -16.999 -8.431 17.168 166 1HH2 ARG 25 1HH2 ARG 25 -15.160 -10.618 15.256 167 2HH2 ARG 25 2HH2 ARG 25 -16.412 -10.423 16.446 168 H GLU 26 H GLU 26 -13.367 -3.859 10.833 169 HA GLU 26 HA GLU 26 -13.506 -6.174 9.094 170 1HB GLU 26 1HB GLU 26 -14.402 -3.281 8.804 171 2HB GLU 26 2HB GLU 26 -14.712 -4.501 7.575 172 1HG GLU 26 1HG GLU 26 -15.670 -4.748 10.460 173 2HG GLU 26 2HG GLU 26 -16.626 -4.084 9.143 174 H ASN 27 H ASN 27 -11.142 -3.684 9.291 175 HA ASN 27 HA ASN 27 -10.005 -4.486 6.640 176 1HB ASN 27 1HB ASN 27 -10.140 -1.690 7.812 177 2HB ASN 27 2HB ASN 27 -9.338 -2.124 6.309 178 1HD2 ASN 27 1HD2 ASN 27 -12.384 -1.445 7.816 179 2HD2 ASN 27 2HD2 ASN 27 -13.339 -1.514 6.326 180 H SER 28 H SER 28 -9.342 -5.617 9.189 181 HA SER 28 HA SER 28 -7.164 -4.560 10.540 182 1HB SER 28 1HB SER 28 -6.711 -6.857 11.275 183 2HB SER 28 2HB SER 28 -8.435 -6.450 11.333 184 HG SER 28 HG SER 28 -8.068 -8.518 10.392 185 H HIS 29 H HIS 29 -7.053 -5.829 7.325 186 HA HIS 29 HA HIS 29 -4.217 -6.482 7.245 187 1HB HIS 29 1HB HIS 29 -4.628 -6.772 4.861 188 2HB HIS 29 2HB HIS 29 -5.851 -7.602 5.811 189 HD2 HIS 29 HD2 HIS 29 -5.705 -5.815 2.737 190 HE1 HIS 29 HE1 HIS 29 -9.482 -4.551 4.260 191 HE2 HIS 29 HE2 HIS 29 -8.012 -4.669 2.187 192 H ILE 30 H ILE 30 -6.015 -3.510 6.952 193 HA ILE 30 HA ILE 30 -3.542 -2.069 6.083 194 HB ILE 30 HB ILE 30 -4.962 -0.500 4.803 195 1HG1 ILE 30 1HG1 ILE 30 -7.145 -2.605 5.117 196 2HG1 ILE 30 2HG1 ILE 30 -7.142 -1.014 5.874 197 1HG2 ILE 30 1HG2 ILE 30 -5.046 -3.350 3.767 198 2HG2 ILE 30 2HG2 ILE 30 -5.025 -1.859 2.805 199 3HG2 ILE 30 3HG2 ILE 30 -3.614 -2.305 3.762 200 1HD1 ILE 30 1HD1 ILE 30 -7.175 0.038 3.607 201 2HD1 ILE 30 2HD1 ILE 30 -7.318 -1.586 2.891 202 3HD1 ILE 30 3HD1 ILE 30 -8.591 -0.968 3.953 203 H PHE 31 H PHE 31 -6.198 -2.100 8.312 204 HA PHE 31 HA PHE 31 -5.248 0.494 9.495 205 1HB PHE 31 1HB PHE 31 -8.019 -0.733 9.658 206 2HB PHE 31 2HB PHE 31 -7.522 0.791 10.356 207 HD1 PHE 31 HD1 PHE 31 -6.023 1.639 7.563 208 HD2 PHE 31 HD2 PHE 31 -9.964 0.362 8.744 209 HE1 PHE 31 HE1 PHE 31 -6.977 2.663 5.522 210 HE2 PHE 31 HE2 PHE 31 -10.914 1.388 6.695 211 HZ PHE 31 HZ PHE 31 -9.414 2.511 5.063 212 H SER 32 H SER 32 -4.903 0.458 11.720 213 HA SER 32 HA SER 32 -5.629 -1.943 13.285 214 1HB SER 32 1HB SER 32 -3.528 -2.588 13.911 215 2HB SER 32 2HB SER 32 -3.251 -2.173 12.218 216 HG SER 32 HG SER 32 -1.654 -1.281 13.569 217 H ASP 33 H ASP 33 -4.900 -1.665 15.599 218 HA ASP 33 HA ASP 33 -6.132 0.617 16.763 219 1HB ASP 33 1HB ASP 33 -5.922 -1.692 17.718 220 2HB ASP 33 2HB ASP 33 -4.194 -1.415 17.953 221 H THR 34 H THR 34 -2.907 0.275 15.526 222 HA THR 34 HA THR 34 -2.090 2.843 16.801 223 HB THR 34 HB THR 34 0.197 1.963 17.166 224 HG1 THR 34 HG1 THR 34 -0.994 -0.586 16.827 225 1HG2 THR 34 1HG2 THR 34 -0.226 0.747 19.202 226 2HG2 THR 34 2HG2 THR 34 -1.402 2.063 19.042 227 3HG2 THR 34 3HG2 THR 34 -1.895 0.389 18.710 228 H GLN 35 H GLN 35 -2.525 1.414 13.801 229 HA GLN 35 HA GLN 35 -0.856 3.483 12.569 230 1HB GLN 35 1HB GLN 35 0.706 1.525 13.043 231 2HB GLN 35 2HB GLN 35 -0.310 0.526 12.004 232 1HG GLN 35 1HG GLN 35 0.275 1.984 10.061 233 2HG GLN 35 2HG GLN 35 1.211 3.022 11.145 234 1HE2 GLN 35 1HE2 GLN 35 3.270 2.689 10.184 235 2HE2 GLN 35 2HE2 GLN 35 4.031 1.105 10.177 236 H CYS 36 H CYS 36 -1.376 3.952 10.454 237 HA CYS 36 HA CYS 36 -3.580 2.384 9.122 238 1HB CYS 36 1HB CYS 36 -4.383 4.608 9.822 239 2HB CYS 36 2HB CYS 36 -3.005 5.369 9.018 240 H LYS 37 H LYS 37 -2.660 1.231 7.482 241 HA LYS 37 HA LYS 37 -0.051 1.911 6.340 242 1HB LYS 37 1HB LYS 37 -2.107 -0.130 5.394 243 2HB LYS 37 2HB LYS 37 -0.414 -0.019 4.901 244 1HG LYS 37 1HG LYS 37 0.245 -0.413 7.328 245 2HG LYS 37 2HG LYS 37 -1.470 -0.735 7.668 246 1HD LYS 37 1HD LYS 37 -1.383 -2.448 5.763 247 2HD LYS 37 2HD LYS 37 0.374 -2.237 5.770 248 1HE LYS 37 1HE LYS 37 0.524 -3.030 8.069 249 2HE LYS 37 2HE LYS 37 -1.238 -3.000 8.245 250 1HZ LYS 37 1HZ LYS 37 -0.457 -5.252 7.804 251 2HZ LYS 37 2HZ LYS 37 -1.398 -4.735 6.565 252 3HZ LYS 37 3HZ LYS 37 0.234 -4.797 6.396 253 H VAL 38 H VAL 38 -3.397 2.338 5.276 254 HA VAL 38 HA VAL 38 -2.978 3.036 2.548 255 HB VAL 38 HB VAL 38 -5.069 3.913 4.574 256 1HG1 VAL 38 1HG1 VAL 38 -4.991 4.556 1.608 257 2HG1 VAL 38 2HG1 VAL 38 -6.434 4.672 2.638 258 3HG1 VAL 38 3HG1 VAL 38 -5.059 5.708 2.965 259 1HG2 VAL 38 1HG2 VAL 38 -6.508 2.396 3.204 260 2HG2 VAL 38 2HG2 VAL 38 -5.095 1.980 2.220 261 3HG2 VAL 38 3HG2 VAL 38 -5.137 1.556 3.939 262 H CYS 39 H CYS 39 -2.989 5.151 5.436 263 HA CYS 39 HA CYS 39 -1.952 7.443 3.891 264 1HB CYS 39 1HB CYS 39 -2.820 7.122 6.778 265 2HB CYS 39 2HB CYS 39 -2.435 8.632 5.959 266 H SER 40 H SER 40 -0.543 4.791 5.166 267 HA SER 40 HA SER 40 1.281 4.170 6.305 268 1HB SER 40 1HB SER 40 1.906 4.667 3.892 269 2HB SER 40 2HB SER 40 2.685 6.150 4.474 270 HG SER 40 HG SER 40 4.142 4.358 4.351 271 H ALA 41 H ALA 41 0.188 5.470 8.081 272 HA ALA 41 HA ALA 41 2.228 7.204 9.415 273 1HB ALA 41 1HB ALA 41 -0.755 7.796 9.175 274 2HB ALA 41 2HB ALA 41 0.422 8.738 10.115 275 3HB ALA 41 3HB ALA 41 0.555 8.667 8.347 276 H VAL 42 H VAL 42 2.371 7.078 11.585 277 HA VAL 42 HA VAL 42 1.117 4.756 12.918 278 HB VAL 42 HB VAL 42 3.252 6.672 13.959 279 1HG1 VAL 42 1HG1 VAL 42 3.801 4.827 15.519 280 2HG1 VAL 42 2HG1 VAL 42 2.151 5.379 15.775 281 3HG1 VAL 42 3HG1 VAL 42 2.448 3.872 14.883 282 1HG2 VAL 42 1HG2 VAL 42 4.865 4.852 13.415 283 2HG2 VAL 42 2HG2 VAL 42 3.562 3.947 12.614 284 3HG2 VAL 42 3HG2 VAL 42 4.116 5.506 11.961 285 H LEU 43 H LEU 43 -0.053 4.892 14.778 286 HA LEU 43 HA LEU 43 -1.374 7.477 15.499 287 1HB LEU 43 1HB LEU 43 -2.619 4.707 15.272 288 2HB LEU 43 2HB LEU 43 -3.455 6.191 15.686 289 HG LEU 43 HG LEU 43 -2.113 5.666 12.987 290 1HD1 LEU 43 1HD1 LEU 43 -3.988 4.134 13.351 291 2HD1 LEU 43 2HD1 LEU 43 -5.053 5.507 13.703 292 3HD1 LEU 43 3HD1 LEU 43 -4.337 5.331 12.095 293 1HD2 LEU 43 1HD2 LEU 43 -2.320 8.073 13.512 294 2HD2 LEU 43 2HD2 LEU 43 -3.425 7.592 12.226 295 3HD2 LEU 43 3HD2 LEU 43 -4.042 7.851 13.877 296 H ILE 44 H ILE 44 0.456 7.476 16.987 297 HA ILE 44 HA ILE 44 1.016 5.582 18.948 298 HB ILE 44 HB ILE 44 2.197 7.457 20.136 299 1HG1 ILE 44 1HG1 ILE 44 2.551 9.573 18.987 300 2HG1 ILE 44 2HG1 ILE 44 1.358 9.178 17.757 301 1HG2 ILE 44 1HG2 ILE 44 3.910 7.633 18.443 302 2HG2 ILE 44 2HG2 ILE 44 3.214 6.009 18.395 303 3HG2 ILE 44 3HG2 ILE 44 2.767 7.209 17.158 304 1HD1 ILE 44 1HD1 ILE 44 -0.449 9.374 19.360 305 2HD1 ILE 44 2HD1 ILE 44 0.704 9.501 20.718 306 3HD1 ILE 44 3HD1 ILE 44 0.585 10.796 19.510 307 H SER 45 H SER 45 -1.899 7.233 19.029 308 HA SER 45 HA SER 45 -2.453 6.262 21.725 309 1HB SER 45 1HB SER 45 -1.474 8.579 22.084 310 2HB SER 45 2HB SER 45 -2.835 9.224 21.142 311 HG SER 45 HG SER 45 -3.242 9.227 23.411 312 H GLU 46 H GLU 46 -4.743 6.292 22.196 313 HA GLU 46 HA GLU 46 -6.424 5.660 19.971 314 1HB GLU 46 1HB GLU 46 -6.718 4.752 22.208 315 2HB GLU 46 2HB GLU 46 -7.167 6.343 22.842 316 1HG GLU 46 1HG GLU 46 -9.231 6.357 21.693 317 2HG GLU 46 2HG GLU 46 -8.688 5.179 20.498 318 H SER 47 H SER 47 -6.007 8.791 21.703 319 HA SER 47 HA SER 47 -8.248 10.086 20.436 320 1HB SER 47 1HB SER 47 -7.064 12.190 21.037 321 2HB SER 47 2HB SER 47 -7.297 11.068 22.388 322 HG SER 47 HG SER 47 -5.168 11.890 22.372 323 H GLN 48 H GLN 48 -4.832 9.702 19.455 324 HA GLN 48 HA GLN 48 -5.076 11.262 17.011 325 1HB GLN 48 1HB GLN 48 -3.032 9.320 18.122 326 2HB GLN 48 2HB GLN 48 -3.014 9.705 16.405 327 1HG GLN 48 1HG GLN 48 -1.487 11.176 17.545 328 2HG GLN 48 2HG GLN 48 -2.822 12.103 16.875 329 1HE2 GLN 48 1HE2 GLN 48 -3.938 13.496 18.317 330 2HE2 GLN 48 2HE2 GLN 48 -3.699 13.432 20.057 331 H LYS 49 H LYS 49 -5.431 7.758 17.757 332 HA LYS 49 HA LYS 49 -5.918 6.956 15.043 333 1HB LYS 49 1HB LYS 49 -5.836 4.929 15.968 334 2HB LYS 49 2HB LYS 49 -5.670 5.683 17.542 335 1HG LYS 49 1HG LYS 49 -8.164 5.616 17.797 336 2HG LYS 49 2HG LYS 49 -8.262 4.745 16.256 337 1HD LYS 49 1HD LYS 49 -6.935 2.893 17.241 338 2HD LYS 49 2HD LYS 49 -6.778 3.808 18.758 339 1HE LYS 49 1HE LYS 49 -9.354 3.952 18.746 340 2HE LYS 49 2HE LYS 49 -9.310 2.720 17.469 341 1HZ LYS 49 1HZ LYS 49 -8.604 2.463 20.323 342 2HZ LYS 49 2HZ LYS 49 -9.499 1.467 19.407 343 3HZ LYS 49 3HZ LYS 49 -7.870 1.453 19.255 344 H LEU 50 H LEU 50 -8.196 7.901 17.593 345 HA LEU 50 HA LEU 50 -10.579 7.627 16.023 346 1HB LEU 50 1HB LEU 50 -9.890 9.311 18.472 347 2HB LEU 50 2HB LEU 50 -11.502 9.287 17.766 348 HG LEU 50 HG LEU 50 -10.091 6.806 18.841 349 1HD1 LEU 50 1HD1 LEU 50 -12.322 8.493 20.048 350 2HD1 LEU 50 2HD1 LEU 50 -11.676 6.979 20.713 351 3HD1 LEU 50 3HD1 LEU 50 -10.643 8.415 20.632 352 1HD2 LEU 50 1HD2 LEU 50 -12.327 5.790 18.749 353 2HD2 LEU 50 2HD2 LEU 50 -12.969 7.245 17.951 354 3HD2 LEU 50 3HD2 LEU 50 -11.755 6.222 17.149 355 H ALA 51 H ALA 51 -8.429 10.492 16.474 356 HA ALA 51 HA ALA 51 -10.076 12.197 14.832 357 1HB ALA 51 1HB ALA 51 -7.098 12.345 15.519 358 2HB ALA 51 2HB ALA 51 -8.079 13.665 14.845 359 3HB ALA 51 3HB ALA 51 -8.424 13.048 16.472 360 H HIS 52 H HIS 52 -7.223 10.142 14.038 361 HA HIS 52 HA HIS 52 -6.998 10.979 11.328 362 1HB HIS 52 1HB HIS 52 -5.260 9.780 12.624 363 2HB HIS 52 2HB HIS 52 -6.245 8.313 12.596 364 HD1 HIS 52 HD1 HIS 52 -3.835 10.295 10.451 365 HD2 HIS 52 HD2 HIS 52 -6.657 7.192 10.051 366 HE1 HIS 52 HE1 HIS 52 -3.472 9.272 8.132 367 H TYR 53 H TYR 53 -8.707 8.058 12.663 368 HA TYR 53 HA TYR 53 -9.630 7.260 10.056 369 1HB TYR 53 1HB TYR 53 -10.512 6.441 12.837 370 2HB TYR 53 2HB TYR 53 -11.117 5.702 11.360 371 HD1 TYR 53 HD1 TYR 53 -9.020 5.134 9.602 372 HD2 TYR 53 HD2 TYR 53 -8.910 5.071 13.908 373 HE1 TYR 53 HE1 TYR 53 -7.097 3.552 9.535 374 HE2 TYR 53 HE2 TYR 53 -6.990 3.491 13.837 375 HH TYR 53 HH TYR 53 -5.612 2.278 12.538 376 H GLN 54 H GLN 54 -10.902 9.703 12.154 377 HA GLN 54 HA GLN 54 -13.533 9.695 10.737 378 1HB GLN 54 1HB GLN 54 -12.526 11.251 13.147 379 2HB GLN 54 2HB GLN 54 -14.123 11.442 12.420 380 1HG GLN 54 1HG GLN 54 -14.683 9.099 12.906 381 2HG GLN 54 2HG GLN 54 -13.095 8.833 13.615 382 1HE2 GLN 54 1HE2 GLN 54 -12.539 10.212 15.524 383 2HE2 GLN 54 2HE2 GLN 54 -13.856 10.664 16.624 384 H SER 55 H SER 55 -10.459 11.175 10.413 385 HA SER 55 HA SER 55 -11.184 13.817 9.598 386 1HB SER 55 1HB SER 55 -8.921 13.220 10.281 387 2HB SER 55 2HB SER 55 -8.760 12.119 8.895 388 HG SER 55 HG SER 55 -7.868 14.324 8.669 389 H ARG 56 H ARG 56 -11.520 14.761 7.636 390 HA ARG 56 HA ARG 56 -12.703 13.280 5.481 391 1HB ARG 56 1HB ARG 56 -12.934 15.824 6.201 392 2HB ARG 56 2HB ARG 56 -11.542 16.059 5.148 393 1HG ARG 56 1HG ARG 56 -13.406 16.492 3.768 394 2HG ARG 56 2HG ARG 56 -12.948 14.846 3.320 395 1HD ARG 56 1HD ARG 56 -14.720 14.056 5.034 396 2HD ARG 56 2HD ARG 56 -15.214 15.736 5.154 397 HE ARG 56 HE ARG 56 -16.023 15.716 2.915 398 1HH1 ARG 56 1HH1 ARG 56 -14.964 12.505 3.864 399 2HH1 ARG 56 2HH1 ARG 56 -15.992 11.724 2.683 400 1HH2 ARG 56 1HH2 ARG 56 -17.172 14.681 1.366 401 2HH2 ARG 56 2HH2 ARG 56 -17.067 12.932 1.217 402 H LYS 57 H LYS 57 -9.387 14.144 6.116 403 HA LYS 57 HA LYS 57 -8.309 13.788 3.445 404 1HB LYS 57 1HB LYS 57 -7.084 13.642 6.235 405 2HB LYS 57 2HB LYS 57 -6.162 13.277 4.787 406 1HG LYS 57 1HG LYS 57 -5.703 15.519 5.410 407 2HG LYS 57 2HG LYS 57 -6.574 15.513 3.875 408 1HD LYS 57 1HD LYS 57 -8.621 16.288 4.974 409 2HD LYS 57 2HD LYS 57 -7.896 16.042 6.571 410 1HE LYS 57 1HE LYS 57 -7.864 18.388 6.110 411 2HE LYS 57 2HE LYS 57 -6.204 17.791 6.077 412 1HZ LYS 57 1HZ LYS 57 -6.320 17.804 3.639 413 2HZ LYS 57 2HZ LYS 57 -7.872 18.328 3.670 414 3HZ LYS 57 3HZ LYS 57 -6.672 19.286 4.215 415 H HIS 58 H HIS 58 -8.824 11.505 6.148 416 HA HIS 58 HA HIS 58 -7.536 9.247 4.973 417 1HB HIS 58 1HB HIS 58 -8.120 9.442 7.347 418 2HB HIS 58 2HB HIS 58 -9.837 9.345 6.956 419 HD2 HIS 58 HD2 HIS 58 -10.876 6.964 6.566 420 HE1 HIS 58 HE1 HIS 58 -7.351 4.631 7.066 421 HE2 HIS 58 HE2 HIS 58 -9.874 4.537 6.833 422 H ALA 59 H ALA 59 -10.983 10.306 4.674 423 HA ALA 59 HA ALA 59 -11.881 8.069 3.147 424 1HB ALA 59 1HB ALA 59 -13.640 9.665 2.330 425 2HB ALA 59 2HB ALA 59 -13.457 9.649 4.080 426 3HB ALA 59 3HB ALA 59 -12.774 10.992 3.132 427 H ASN 60 H ASN 60 -10.475 11.171 2.036 428 HA ASN 60 HA ASN 60 -10.589 10.555 -0.781 429 1HB ASN 60 1HB ASN 60 -8.976 12.555 0.880 430 2HB ASN 60 2HB ASN 60 -8.858 12.449 -0.874 431 1HD2 ASN 60 1HD2 ASN 60 -10.971 13.500 1.791 432 2HD2 ASN 60 2HD2 ASN 60 -12.130 14.247 0.703 433 H LYS 61 H LYS 61 -8.008 10.078 1.674 434 HA LYS 61 HA LYS 61 -6.079 9.025 -0.176 435 1HB LYS 61 1HB LYS 61 -6.112 9.680 2.561 436 2HB LYS 61 2HB LYS 61 -5.865 7.945 2.565 437 1HG LYS 61 1HG LYS 61 -4.211 10.005 1.035 438 2HG LYS 61 2HG LYS 61 -3.770 9.253 2.570 439 1HD LYS 61 1HD LYS 61 -3.787 7.015 1.439 440 2HD LYS 61 2HD LYS 61 -4.063 7.823 -0.116 441 1HE LYS 61 1HE LYS 61 -1.982 9.062 0.075 442 2HE LYS 61 2HE LYS 61 -1.740 8.493 1.732 443 1HZ LYS 61 1HZ LYS 61 -1.509 6.241 0.893 444 2HZ LYS 61 2HZ LYS 61 -1.730 6.732 -0.662 445 3HZ LYS 61 3HZ LYS 61 -0.403 7.208 0.167 446 H VAL 62 H VAL 62 -8.569 7.370 1.814 447 HA VAL 62 HA VAL 62 -7.918 4.688 0.980 448 HB VAL 62 HB VAL 62 -10.497 5.940 1.993 449 1HG1 VAL 62 1HG1 VAL 62 -9.931 2.995 1.420 450 2HG1 VAL 62 2HG1 VAL 62 -11.297 3.603 2.381 451 3HG1 VAL 62 3HG1 VAL 62 -11.192 3.999 0.668 452 1HG2 VAL 62 1HG2 VAL 62 -8.550 5.684 3.600 453 2HG2 VAL 62 2HG2 VAL 62 -9.981 4.748 4.043 454 3HG2 VAL 62 3HG2 VAL 62 -8.588 3.941 3.289 455 H ARG 63 H ARG 63 -10.189 7.112 -0.448 456 HA ARG 63 HA ARG 63 -11.144 5.463 -2.574 457 1HB ARG 63 1HB ARG 63 -12.043 7.682 -1.825 458 2HB ARG 63 2HB ARG 63 -10.686 8.470 -2.644 459 1HG ARG 63 1HG ARG 63 -11.438 7.498 -4.816 460 2HG ARG 63 2HG ARG 63 -12.730 6.628 -3.971 461 1HD ARG 63 1HD ARG 63 -13.713 8.564 -4.948 462 2HD ARG 63 2HD ARG 63 -13.652 8.809 -3.201 463 HE ARG 63 HE ARG 63 -11.800 10.054 -5.226 464 1HH1 ARG 63 1HH1 ARG 63 -13.398 10.383 -2.100 465 2HH1 ARG 63 2HH1 ARG 63 -12.615 11.929 -1.818 466 1HH2 ARG 63 1HH2 ARG 63 -10.885 12.035 -4.719 467 2HH2 ARG 63 2HH2 ARG 63 -11.255 12.763 -3.167 468 H ARG 64 H ARG 64 -8.250 7.553 -2.463 469 HA ARG 64 HA ARG 64 -7.366 6.977 -5.161 470 1HB ARG 64 1HB ARG 64 -6.673 8.976 -3.897 471 2HB ARG 64 2HB ARG 64 -5.858 7.980 -2.701 472 1HG ARG 64 1HG ARG 64 -4.294 9.036 -4.299 473 2HG ARG 64 2HG ARG 64 -4.180 7.284 -4.284 474 1HD ARG 64 1HD ARG 64 -4.012 8.155 -6.560 475 2HD ARG 64 2HD ARG 64 -5.442 7.134 -6.385 476 HE ARG 64 HE ARG 64 -6.006 9.963 -5.943 477 1HH1 ARG 64 1HH1 ARG 64 -5.605 7.636 -8.532 478 2HH1 ARG 64 2HH1 ARG 64 -6.579 8.566 -9.639 479 1HH2 ARG 64 1HH2 ARG 64 -7.230 11.099 -7.409 480 2HH2 ARG 64 2HH2 ARG 64 -7.465 10.475 -9.015 481 H TYR 65 H TYR 65 -6.446 5.565 -1.996 482 HA TYR 65 HA TYR 65 -4.543 3.687 -2.963 483 1HB TYR 65 1HB TYR 65 -4.838 4.380 -0.633 484 2HB TYR 65 2HB TYR 65 -6.387 3.553 -0.551 485 HD1 TYR 65 HD1 TYR 65 -6.485 1.045 -0.615 486 HD2 TYR 65 HD2 TYR 65 -2.748 3.195 -0.418 487 HE1 TYR 65 HE1 TYR 65 -5.331 -1.024 0.164 488 HE2 TYR 65 HE2 TYR 65 -1.602 1.130 0.364 489 HH TYR 65 HH TYR 65 -1.822 -1.087 0.892 490 H MET 66 H MET 66 -8.100 3.341 -2.545 491 HA MET 66 HA MET 66 -8.291 0.599 -3.291 492 1HB MET 66 1HB MET 66 -10.252 2.920 -3.402 493 2HB MET 66 2HB MET 66 -10.698 1.287 -3.915 494 1HG MET 66 1HG MET 66 -9.558 1.950 -1.181 495 2HG MET 66 2HG MET 66 -11.278 1.812 -1.527 496 1HE MET 66 1HE MET 66 -8.481 0.169 0.076 497 2HE MET 66 2HE MET 66 -10.091 0.265 0.829 498 3HE MET 66 3HE MET 66 -9.346 -1.321 0.513 499 H ALA 67 H ALA 67 -8.067 3.524 -5.326 500 HA ALA 67 HA ALA 67 -8.617 2.117 -7.823 501 1HB ALA 67 1HB ALA 67 -7.343 4.841 -7.299 502 2HB ALA 67 2HB ALA 67 -7.966 4.245 -8.848 503 3HB ALA 67 3HB ALA 67 -9.082 4.531 -7.500 504 H ILE 68 H ILE 68 -5.715 2.930 -5.949 505 HA ILE 68 HA ILE 68 -3.772 2.133 -7.975 506 HB ILE 68 HB ILE 68 -3.619 2.779 -5.011 507 1HG1 ILE 68 1HG1 ILE 68 -2.501 4.248 -7.446 508 2HG1 ILE 68 2HG1 ILE 68 -4.069 4.607 -6.740 509 1HG2 ILE 68 1HG2 ILE 68 -1.801 1.181 -5.419 510 2HG2 ILE 68 2HG2 ILE 68 -1.279 2.105 -6.848 511 3HG2 ILE 68 3HG2 ILE 68 -1.139 2.784 -5.212 512 1HD1 ILE 68 1HD1 ILE 68 -2.946 5.146 -4.560 513 2HD1 ILE 68 2HD1 ILE 68 -1.375 4.980 -5.383 514 3HD1 ILE 68 3HD1 ILE 68 -2.514 6.218 -5.909 515 H ASN 69 H ASN 69 -5.503 0.459 -5.408 516 HA ASN 69 HA ASN 69 -3.939 -1.820 -5.027 517 1HB ASN 69 1HB ASN 69 -5.940 -1.042 -3.706 518 2HB ASN 69 2HB ASN 69 -6.976 -1.620 -5.013 519 1HD2 ASN 69 1HD2 ASN 69 -8.039 -3.100 -3.572 520 2HD2 ASN 69 2HD2 ASN 69 -7.205 -4.543 -3.014 521 H GLN 70 H GLN 70 -4.297 -4.046 -5.665 522 HA GLN 70 HA GLN 70 -3.838 -4.581 -8.328 523 1HB GLN 70 1HB GLN 70 -3.341 -6.041 -6.390 524 2HB GLN 70 2HB GLN 70 -5.057 -6.465 -6.276 525 1HG GLN 70 1HG GLN 70 -4.956 -7.494 -8.535 526 2HG GLN 70 2HG GLN 70 -3.285 -6.955 -8.711 527 1HE2 GLN 70 1HE2 GLN 70 -2.230 -8.970 -8.839 528 2HE2 GLN 70 2HE2 GLN 70 -2.310 -10.156 -7.542 529 H GLY 71 H GLY 71 -4.915 -4.862 -10.118 530 1HA GLY 71 1HA GLY 71 -7.296 -6.027 -10.768 531 2HA GLY 71 2HA GLY 71 -7.823 -4.411 -10.279 532 H GLU 72 H GLU 72 -4.708 -4.857 -11.847 533 HA GLU 72 HA GLU 72 -4.979 -2.892 -13.757 534 1HB GLU 72 1HB GLU 72 -3.185 -5.346 -13.947 535 2HB GLU 72 2HB GLU 72 -3.009 -3.826 -14.815 536 1HG GLU 72 1HG GLU 72 -1.521 -3.411 -13.169 537 2HG GLU 72 2HG GLU 72 -2.946 -2.778 -12.360 538 H ASP 73 H ASP 73 -6.269 -2.660 -15.396 539 HA ASP 73 HA ASP 73 -7.574 -4.822 -16.844 540 1HB ASP 73 1HB ASP 73 -8.571 -2.573 -16.331 541 2HB ASP 73 2HB ASP 73 -7.413 -1.838 -17.441 542 H SER 74 H SER 74 -7.451 -5.058 -19.261 543 HA SER 74 HA SER 74 -4.710 -5.303 -20.181 544 1HB SER 74 1HB SER 74 -5.763 -6.193 -22.237 545 2HB SER 74 2HB SER 74 -6.323 -6.992 -20.759 546 HG SER 74 HG SER 74 -8.060 -6.475 -22.170 547 H VAL 75 H VAL 75 -7.154 -2.805 -20.575 548 HA VAL 75 HA VAL 75 -5.260 -1.163 -22.101 549 HB VAL 75 HB VAL 75 -6.296 -2.396 -23.854 550 1HG1 VAL 75 1HG1 VAL 75 -8.503 -2.922 -22.878 551 2HG1 VAL 75 2HG1 VAL 75 -9.012 -1.245 -23.147 552 3HG1 VAL 75 3HG1 VAL 75 -8.587 -2.280 -24.521 553 1HG2 VAL 75 1HG2 VAL 75 -7.264 0.473 -23.969 554 2HG2 VAL 75 2HG2 VAL 75 -5.587 -0.064 -24.223 555 3HG2 VAL 75 3HG2 VAL 75 -6.862 -0.610 -25.318 556 HA PRO 76 HA PRO 76 -7.790 1.138 -18.951 557 1HB PRO 76 1HB PRO 76 -5.798 2.010 -17.307 558 2HB PRO 76 2HB PRO 76 -6.436 0.343 -17.235 559 1HG PRO 76 1HG PRO 76 -3.971 1.323 -18.719 560 2HG PRO 76 2HG PRO 76 -4.093 -0.050 -17.569 561 1HD PRO 76 1HD PRO 76 -4.241 -0.407 -20.267 562 2HD PRO 76 2HD PRO 76 -5.222 -1.384 -19.136 563 H ALA 77 H ALA 77 -5.832 1.984 -21.487 564 HA ALA 77 HA ALA 77 -5.079 4.666 -21.077 565 1HB ALA 77 1HB ALA 77 -4.264 3.198 -22.889 566 2HB ALA 77 2HB ALA 77 -5.875 3.221 -23.645 567 3HB ALA 77 3HB ALA 77 -4.912 4.710 -23.542 568 H LYS 78 H LYS 78 -5.896 6.598 -22.110 569 HA LYS 78 HA LYS 78 -8.468 7.383 -21.311 570 1HB LYS 78 1HB LYS 78 -6.499 8.861 -21.745 571 2HB LYS 78 2HB LYS 78 -6.690 8.599 -23.471 572 1HG LYS 78 1HG LYS 78 -7.576 10.769 -22.802 573 2HG LYS 78 2HG LYS 78 -8.841 9.755 -23.474 574 1HD LYS 78 1HD LYS 78 -9.657 11.027 -21.562 575 2HD LYS 78 2HD LYS 78 -9.724 9.300 -21.209 576 1HE LYS 78 1HE LYS 78 -7.612 9.483 -19.904 577 2HE LYS 78 2HE LYS 78 -7.510 11.203 -20.303 578 1HZ LYS 78 1HZ LYS 78 -9.700 9.950 -18.727 579 2HZ LYS 78 2HZ LYS 78 -8.492 10.858 -18.109 580 3HZ LYS 78 3HZ LYS 78 -9.599 11.540 -19.094 581 H LYS 79 H LYS 79 -7.552 6.001 -24.399 582 HA LYS 79 HA LYS 79 -10.116 6.507 -25.730 583 1HB LYS 79 1HB LYS 79 -7.848 6.396 -26.850 584 2HB LYS 79 2HB LYS 79 -7.864 4.648 -26.602 585 1HG LYS 79 1HG LYS 79 -10.011 4.532 -27.916 586 2HG LYS 79 2HG LYS 79 -9.939 6.273 -28.163 587 1HD LYS 79 1HD LYS 79 -7.881 4.235 -29.122 588 2HD LYS 79 2HD LYS 79 -9.132 4.955 -30.125 589 1HE LYS 79 1HE LYS 79 -6.864 6.494 -28.773 590 2HE LYS 79 2HE LYS 79 -6.865 5.947 -30.448 591 1HZ LYS 79 1HZ LYS 79 -8.816 7.349 -30.853 592 2HZ LYS 79 2HZ LYS 79 -8.804 7.890 -29.309 593 3HZ LYS 79 3HZ LYS 79 -7.570 8.247 -30.312 594 H PHE 80 H PHE 80 -11.102 5.618 -23.684 595 HA PHE 80 HA PHE 80 -11.196 2.921 -22.963 596 1HB PHE 80 1HB PHE 80 -11.964 4.901 -21.663 597 2HB PHE 80 2HB PHE 80 -13.363 5.038 -22.720 598 HD1 PHE 80 HD1 PHE 80 -15.303 4.429 -21.569 599 HD2 PHE 80 HD2 PHE 80 -11.685 2.184 -20.848 600 HE1 PHE 80 HE1 PHE 80 -16.532 2.940 -20.014 601 HE2 PHE 80 HE2 PHE 80 -12.931 0.676 -19.325 602 HZ PHE 80 HZ PHE 80 -15.354 1.049 -18.902 603 H LYS 81 H LYS 81 -12.908 1.331 -23.112 604 HA LYS 81 HA LYS 81 -13.870 1.063 -25.920 605 1HB LYS 81 1HB LYS 81 -13.480 -1.146 -23.884 606 2HB LYS 81 2HB LYS 81 -13.650 -1.298 -25.629 607 1HG LYS 81 1HG LYS 81 -11.265 -0.208 -24.097 608 2HG LYS 81 2HG LYS 81 -11.361 -1.702 -25.022 609 1HD LYS 81 1HD LYS 81 -11.579 -0.410 -27.131 610 2HD LYS 81 2HD LYS 81 -11.544 1.104 -26.209 611 1HE LYS 81 1HE LYS 81 -9.301 0.240 -25.232 612 2HE LYS 81 2HE LYS 81 -9.313 -0.916 -26.573 613 1HZ LYS 81 1HZ LYS 81 -9.496 1.040 -28.080 614 2HZ LYS 81 2HZ LYS 81 -9.405 2.046 -26.779 615 3HZ LYS 81 3HZ LYS 81 -8.125 1.105 -27.188 616 H ALA 82 H ALA 82 -15.441 2.064 -23.265 617 HA ALA 82 HA ALA 82 -18.010 0.925 -24.225 618 1HB ALA 82 1HB ALA 82 -18.706 0.334 -21.945 619 2HB ALA 82 2HB ALA 82 -17.240 -0.550 -22.391 620 3HB ALA 82 3HB ALA 82 -17.133 0.850 -21.306 621 H ALA 83 H ALA 83 -19.886 1.981 -22.950 622 HA ALA 83 HA ALA 83 -19.474 4.832 -22.303 623 1HB ALA 83 1HB ALA 83 -21.227 3.812 -24.596 624 2HB ALA 83 2HB ALA 83 -21.177 5.489 -24.026 625 3HB ALA 83 3HB ALA 83 -19.738 4.767 -24.762 626 HA PRO 84 HA PRO 84 -22.832 3.919 -19.501 627 1HB PRO 84 1HB PRO 84 -23.773 6.381 -18.833 628 2HB PRO 84 2HB PRO 84 -22.094 5.884 -18.505 629 1HG PRO 84 1HG PRO 84 -23.104 7.452 -20.907 630 2HG PRO 84 2HG PRO 84 -21.784 7.903 -19.775 631 1HD PRO 84 1HD PRO 84 -21.283 6.641 -22.128 632 2HD PRO 84 2HD PRO 84 -20.339 6.266 -20.658 633 H ALA 85 H ALA 85 -23.575 3.391 -22.176 634 HA ALA 85 HA ALA 85 -26.515 3.755 -22.096 635 1HB ALA 85 1HB ALA 85 -25.611 5.577 -23.526 636 2HB ALA 85 2HB ALA 85 -24.774 4.371 -24.530 637 3HB ALA 85 3HB ALA 85 -26.550 4.412 -24.473 638 H GLU 86 H GLU 86 -24.538 1.536 -21.575 639 HA GLU 86 HA GLU 86 -24.544 -0.335 -23.712 640 1HB GLU 86 1HB GLU 86 -23.813 -1.966 -22.082 641 2HB GLU 86 2HB GLU 86 -22.926 -0.463 -21.897 642 1HG GLU 86 1HG GLU 86 -25.333 -1.051 -20.130 643 2HG GLU 86 2HG GLU 86 -23.782 -1.800 -19.811 644 H ILE 87 H ILE 87 -27.095 0.457 -21.647 645 HA ILE 87 HA ILE 87 -28.624 -1.978 -21.652 646 HB ILE 87 HB ILE 87 -29.514 0.921 -21.415 647 1HG1 ILE 87 1HG1 ILE 87 -29.042 -1.226 -19.284 648 2HG1 ILE 87 2HG1 ILE 87 -27.916 0.077 -19.655 649 1HG2 ILE 87 1HG2 ILE 87 -31.610 0.025 -20.406 650 2HG2 ILE 87 2HG2 ILE 87 -31.451 -0.462 -22.078 651 3HG2 ILE 87 3HG2 ILE 87 -31.079 -1.628 -20.788 652 1HD1 ILE 87 1HD1 ILE 87 -29.674 1.750 -19.010 653 2HD1 ILE 87 2HD1 ILE 87 -30.669 0.392 -18.421 654 3HD1 ILE 87 3HD1 ILE 87 -29.092 0.710 -17.694 655 H SER 88 H SER 88 -28.142 0.474 -24.148 656 HA SER 88 HA SER 88 -30.342 -0.280 -25.857 657 1HB SER 88 1HB SER 88 -27.688 1.056 -26.512 658 2HB SER 88 2HB SER 88 -29.091 0.958 -27.593 659 HG SER 88 HG SER 88 -29.014 2.947 -26.434 660 H ASP 89 H ASP 89 -27.507 -2.022 -25.079 661 HA ASP 89 HA ASP 89 -27.956 -3.929 -27.293 662 1HB ASP 89 1HB ASP 89 -26.199 -2.231 -27.981 663 2HB ASP 89 2HB ASP 89 -25.208 -2.789 -26.634 664 H GLY 90 H GLY 90 -28.415 -3.858 -24.307 665 1HA GLY 90 1HA GLY 90 -27.494 -6.533 -23.662 666 2HA GLY 90 2HA GLY 90 -26.612 -5.293 -22.771 667 H GLU 91 H GLU 91 -27.724 -6.826 -21.116 668 HA GLU 91 HA GLU 91 -30.533 -6.494 -20.538 669 1HB GLU 91 1HB GLU 91 -28.244 -7.442 -18.766 670 2HB GLU 91 2HB GLU 91 -29.966 -7.629 -18.417 671 1HG GLU 91 1HG GLU 91 -30.220 -9.007 -20.483 672 2HG GLU 91 2HG GLU 91 -28.474 -8.918 -20.740 673 H ASP 92 H ASP 92 -31.501 -5.567 -18.686 674 HA ASP 92 HA ASP 92 -30.437 -2.969 -17.790 675 1HB ASP 92 1HB ASP 92 -32.837 -3.424 -18.463 676 2HB ASP 92 2HB ASP 92 -32.992 -4.445 -17.032 677 H ARG 93 H ARG 93 -30.729 -2.578 -15.334 678 HA ARG 93 HA ARG 93 -28.934 -3.130 -13.617 679 1HB ARG 93 1HB ARG 93 -31.872 -3.466 -13.010 680 2HB ARG 93 2HB ARG 93 -30.662 -3.511 -11.722 681 1HG ARG 93 1HG ARG 93 -29.856 -1.263 -12.379 682 2HG ARG 93 2HG ARG 93 -31.070 -1.189 -13.647 683 1HD ARG 93 1HD ARG 93 -31.491 -1.228 -10.636 684 2HD ARG 93 2HD ARG 93 -31.881 0.082 -11.747 685 HE ARG 93 HE ARG 93 -33.578 -2.079 -10.983 686 1HH1 ARG 93 1HH1 ARG 93 -32.872 -0.322 -13.917 687 2HH1 ARG 93 2HH1 ARG 93 -34.130 -1.130 -14.777 688 1HH2 ARG 93 1HH2 ARG 93 -35.400 -2.763 -12.055 689 2HH2 ARG 93 2HH2 ARG 93 -35.714 -2.163 -13.662 690 H SER 94 H SER 94 -31.356 -5.612 -13.214 691 HA SER 94 HA SER 94 -31.403 -7.676 -12.336 692 1HB SER 94 1HB SER 94 -30.670 -9.337 -13.933 693 2HB SER 94 2HB SER 94 -31.364 -7.934 -14.758 694 HG SER 94 HG SER 94 -29.366 -7.271 -15.350 695 H LYS 95 H LYS 95 -27.976 -6.996 -12.714 696 HA LYS 95 HA LYS 95 -27.243 -8.935 -10.537 697 1HB LYS 95 1HB LYS 95 -25.912 -8.280 -13.171 698 2HB LYS 95 2HB LYS 95 -25.057 -9.054 -11.828 699 1HG LYS 95 1HG LYS 95 -26.601 -10.912 -11.774 700 2HG LYS 95 2HG LYS 95 -27.683 -10.165 -12.944 701 1HD LYS 95 1HD LYS 95 -24.824 -10.981 -13.522 702 2HD LYS 95 2HD LYS 95 -26.231 -11.990 -13.850 703 1HE LYS 95 1HE LYS 95 -25.650 -9.272 -15.129 704 2HE LYS 95 2HE LYS 95 -25.425 -10.850 -15.882 705 1HZ LYS 95 1HZ LYS 95 -28.006 -9.567 -15.187 706 2HZ LYS 95 2HZ LYS 95 -27.496 -10.093 -16.648 707 3HZ LYS 95 3HZ LYS 95 -27.892 -11.178 -15.511 708 H CYS 96 H CYS 96 -27.234 -5.688 -11.610 709 HA CYS 96 HA CYS 96 -25.720 -4.830 -9.226 710 1HB CYS 96 1HB CYS 96 -24.453 -3.184 -10.462 711 2HB CYS 96 2HB CYS 96 -24.119 -4.795 -11.107 712 HG CYS 96 HG CYS 96 -24.172 -3.064 -13.079 713 H CYS 97 H CYS 97 -26.142 -2.618 -8.626 714 HA CYS 97 HA CYS 97 -28.668 -1.397 -9.630 715 1HB CYS 97 1HB CYS 97 -29.334 -2.934 -7.896 716 2HB CYS 97 2HB CYS 97 -28.108 -2.316 -6.795 717 HA PRO 98 HA PRO 98 -25.377 1.736 -8.722 718 1HB PRO 98 1HB PRO 98 -25.975 3.533 -10.721 719 2HB PRO 98 2HB PRO 98 -24.998 2.057 -10.981 720 1HG PRO 98 1HG PRO 98 -27.958 2.445 -11.508 721 2HG PRO 98 2HG PRO 98 -26.726 1.726 -12.593 722 1HD PRO 98 1HD PRO 98 -28.370 0.200 -11.050 723 2HD PRO 98 2HD PRO 98 -26.674 -0.282 -11.354 724 H VAL 99 H VAL 99 -28.848 1.927 -8.924 725 HA VAL 99 HA VAL 99 -29.354 4.536 -7.848 726 HB VAL 99 HB VAL 99 -30.924 1.929 -7.708 727 1HG1 VAL 99 1HG1 VAL 99 -32.936 3.361 -7.290 728 2HG1 VAL 99 2HG1 VAL 99 -31.821 3.293 -5.936 729 3HG1 VAL 99 3HG1 VAL 99 -31.852 4.737 -6.981 730 1HG2 VAL 99 1HG2 VAL 99 -32.280 2.949 -9.505 731 2HG2 VAL 99 2HG2 VAL 99 -31.226 4.379 -9.499 732 3HG2 VAL 99 3HG2 VAL 99 -30.594 2.797 -10.004 733 H CYS 100 H CYS 100 -28.296 1.553 -6.347 734 HA CYS 100 HA CYS 100 -28.261 2.840 -3.638 735 1HB CYS 100 1HB CYS 100 -28.784 -0.054 -4.404 736 2HB CYS 100 2HB CYS 100 -28.651 0.584 -2.781 737 H ASN 101 H ASN 101 -26.418 1.592 -6.059 738 HA ASN 101 HA ASN 101 -24.362 0.908 -6.466 739 1HB ASN 101 1HB ASN 101 -23.854 3.123 -5.442 740 2HB ASN 101 2HB ASN 101 -23.614 2.330 -3.883 741 1HD2 ASN 101 1HD2 ASN 101 -21.398 2.990 -3.761 742 2HD2 ASN 101 2HD2 ASN 101 -20.189 2.279 -4.821 743 H MET 102 H MET 102 -25.624 -1.120 -5.925 744 HA MET 102 HA MET 102 -23.877 -2.920 -4.304 745 1HB MET 102 1HB MET 102 -26.916 -2.782 -4.086 746 2HB MET 102 2HB MET 102 -25.917 -4.080 -3.424 747 1HG MET 102 1HG MET 102 -24.636 -2.303 -2.133 748 2HG MET 102 2HG MET 102 -25.925 -1.181 -2.568 749 1HE MET 102 1HE MET 102 -29.032 -2.732 -0.707 750 2HE MET 102 2HE MET 102 -28.441 -1.400 -1.720 751 3HE MET 102 3HE MET 102 -28.564 -3.044 -2.391 752 H THR 103 H THR 103 -24.619 -5.299 -4.666 753 HA THR 103 HA THR 103 -25.375 -5.820 -7.495 754 HB THR 103 HB THR 103 -23.626 -7.585 -7.611 755 HG1 THR 103 HG1 THR 103 -22.458 -6.243 -5.409 756 1HG2 THR 103 1HG2 THR 103 -22.506 -4.781 -7.197 757 2HG2 THR 103 2HG2 THR 103 -21.737 -6.118 -8.081 758 3HG2 THR 103 3HG2 THR 103 -23.239 -5.406 -8.689 759 H PHE 104 H PHE 104 -25.902 -8.071 -7.955 760 HA PHE 104 HA PHE 104 -27.118 -9.522 -5.642 761 1HB PHE 104 1HB PHE 104 -28.488 -9.332 -8.328 762 2HB PHE 104 2HB PHE 104 -29.137 -9.854 -6.796 763 HD1 PHE 104 HD1 PHE 104 -29.202 -7.981 -4.878 764 HD2 PHE 104 HD2 PHE 104 -29.004 -7.194 -9.113 765 HE1 PHE 104 HE1 PHE 104 -30.162 -5.718 -4.510 766 HE2 PHE 104 HE2 PHE 104 -29.993 -4.954 -8.750 767 HZ PHE 104 HZ PHE 104 -30.568 -4.211 -6.441 768 H SER 105 H SER 105 -27.239 -11.760 -5.799 769 HA SER 105 HA SER 105 -25.354 -13.092 -7.592 770 1HB SER 105 1HB SER 105 -26.045 -15.104 -6.291 771 2HB SER 105 2HB SER 105 -25.490 -13.764 -5.274 772 HG SER 105 HG SER 105 -27.441 -14.713 -4.490 773 H SER 106 H SER 106 -28.733 -12.388 -7.753 774 HA SER 106 HA SER 106 -29.100 -13.955 -10.208 775 1HB SER 106 1HB SER 106 -29.634 -15.680 -8.644 776 2HB SER 106 2HB SER 106 -30.492 -14.563 -7.575 777 HG SER 106 HG SER 106 -31.818 -15.986 -8.925 778 HA PRO 107 HA PRO 107 -31.839 -10.473 -10.970 779 1HB PRO 107 1HB PRO 107 -33.617 -11.520 -12.799 780 2HB PRO 107 2HB PRO 107 -31.936 -11.052 -13.189 781 1HG PRO 107 1HG PRO 107 -32.984 -13.812 -12.505 782 2HG PRO 107 2HG PRO 107 -31.920 -13.336 -13.869 783 1HD PRO 107 1HD PRO 107 -30.893 -14.392 -11.608 784 2HD PRO 107 2HD PRO 107 -30.058 -13.044 -12.429 785 H VAL 108 H VAL 108 -33.051 -13.551 -9.745 786 HA VAL 108 HA VAL 108 -35.741 -12.701 -9.100 787 HB VAL 108 HB VAL 108 -33.989 -14.795 -7.741 788 1HG1 VAL 108 1HG1 VAL 108 -36.151 -15.800 -7.031 789 2HG1 VAL 108 2HG1 VAL 108 -35.906 -14.207 -6.315 790 3HG1 VAL 108 3HG1 VAL 108 -37.014 -14.395 -7.693 791 1HG2 VAL 108 1HG2 VAL 108 -34.305 -15.306 -10.141 792 2HG2 VAL 108 2HG2 VAL 108 -35.245 -16.416 -9.145 793 3HG2 VAL 108 3HG2 VAL 108 -36.057 -15.069 -9.972 794 H VAL 109 H VAL 109 -32.612 -12.461 -7.402 795 HA VAL 109 HA VAL 109 -33.659 -11.286 -4.960 796 HB VAL 109 HB VAL 109 -30.856 -11.112 -6.146 797 1HG1 VAL 109 1HG1 VAL 109 -31.211 -9.415 -4.391 798 2HG1 VAL 109 2HG1 VAL 109 -31.845 -10.662 -3.297 799 3HG1 VAL 109 3HG1 VAL 109 -30.143 -10.695 -3.811 800 1HG2 VAL 109 1HG2 VAL 109 -30.301 -12.953 -4.589 801 2HG2 VAL 109 2HG2 VAL 109 -32.009 -13.071 -4.111 802 3HG2 VAL 109 3HG2 VAL 109 -31.507 -13.469 -5.767 803 H ALA 110 H ALA 110 -32.364 -9.972 -8.032 804 HA ALA 110 HA ALA 110 -32.429 -7.218 -7.322 805 1HB ALA 110 1HB ALA 110 -32.868 -8.377 -10.099 806 2HB ALA 110 2HB ALA 110 -32.155 -6.815 -9.646 807 3HB ALA 110 3HB ALA 110 -31.286 -8.315 -9.293 808 H GLU 111 H GLU 111 -34.963 -9.276 -8.867 809 HA GLU 111 HA GLU 111 -36.958 -7.265 -9.209 810 1HB GLU 111 1HB GLU 111 -37.073 -10.268 -8.773 811 2HB GLU 111 2HB GLU 111 -38.538 -9.318 -8.965 812 1HG GLU 111 1HG GLU 111 -36.308 -9.233 -11.033 813 2HG GLU 111 2HG GLU 111 -37.558 -10.470 -11.045 814 H SER 112 H SER 112 -36.286 -9.366 -6.356 815 HA SER 112 HA SER 112 -38.433 -8.292 -4.735 816 1HB SER 112 1HB SER 112 -35.830 -9.662 -3.943 817 2HB SER 112 2HB SER 112 -37.164 -9.296 -2.838 818 HG SER 112 HG SER 112 -38.509 -10.661 -4.060 819 H HIS 113 H HIS 113 -35.003 -7.343 -5.201 820 HA HIS 113 HA HIS 113 -34.902 -5.438 -3.072 821 1HB HIS 113 1HB HIS 113 -32.909 -6.371 -4.168 822 2HB HIS 113 2HB HIS 113 -33.325 -5.551 -5.672 823 HD1 HIS 113 HD1 HIS 113 -32.097 -4.714 -2.112 824 HD2 HIS 113 HD2 HIS 113 -32.775 -2.944 -5.871 825 HE1 HIS 113 HE1 HIS 113 -31.078 -2.377 -2.007 826 H TYR 114 H TYR 114 -35.831 -5.017 -6.543 827 HA TYR 114 HA TYR 114 -36.034 -2.216 -6.547 828 1HB TYR 114 1HB TYR 114 -37.872 -4.097 -8.033 829 2HB TYR 114 2HB TYR 114 -37.509 -2.432 -8.455 830 HD1 TYR 114 HD1 TYR 114 -34.351 -2.758 -8.000 831 HD2 TYR 114 HD2 TYR 114 -37.372 -4.943 -10.184 832 HE1 TYR 114 HE1 TYR 114 -32.608 -3.647 -9.540 833 HE2 TYR 114 HE2 TYR 114 -35.637 -5.808 -11.725 834 HH TYR 114 HH TYR 114 -33.470 -5.867 -12.247 835 H ILE 115 H ILE 115 -38.260 -4.461 -5.040 836 HA ILE 115 HA ILE 115 -40.224 -2.265 -4.559 837 HB ILE 115 HB ILE 115 -41.872 -3.982 -4.042 838 1HG1 ILE 115 1HG1 ILE 115 -41.486 -6.325 -4.904 839 2HG1 ILE 115 2HG1 ILE 115 -39.758 -6.010 -4.897 840 1HG2 ILE 115 1HG2 ILE 115 -40.586 -4.360 -6.775 841 2HG2 ILE 115 2HG2 ILE 115 -42.286 -4.618 -6.341 842 3HG2 ILE 115 3HG2 ILE 115 -41.610 -2.985 -6.299 843 1HD1 ILE 115 1HD1 ILE 115 -39.824 -5.743 -2.429 844 2HD1 ILE 115 2HD1 ILE 115 -41.596 -5.898 -2.456 845 3HD1 ILE 115 3HD1 ILE 115 -40.568 -7.272 -2.906 846 H GLY 116 H GLY 116 -37.589 -3.349 -3.041 847 1HA GLY 116 1HA GLY 116 -38.623 -3.515 -0.287 848 2HA GLY 116 2HA GLY 116 -36.933 -3.542 -0.801 849 H LYS 117 H LYS 117 -38.476 -1.889 1.251 850 HA LYS 117 HA LYS 117 -38.833 0.756 0.483 851 1HB LYS 117 1HB LYS 117 -39.479 -0.287 2.672 852 2HB LYS 117 2HB LYS 117 -37.796 -0.253 3.171 853 1HG LYS 117 1HG LYS 117 -39.008 1.573 4.203 854 2HG LYS 117 2HG LYS 117 -37.784 2.207 3.121 855 1HD LYS 117 1HD LYS 117 -39.819 3.516 2.966 856 2HD LYS 117 2HD LYS 117 -39.523 2.719 1.420 857 1HE LYS 117 1HE LYS 117 -41.195 0.979 1.970 858 2HE LYS 117 2HE LYS 117 -41.412 1.671 3.583 859 1HZ LYS 117 1HZ LYS 117 -43.162 2.399 2.071 860 2HZ LYS 117 2HZ LYS 117 -42.284 3.688 2.541 861 3HZ LYS 117 3HZ LYS 117 -42.084 3.063 1.042 862 H THR 118 H THR 118 -35.694 -0.696 1.345 863 HA THR 118 HA THR 118 -34.136 1.672 1.474 864 HB THR 118 HB THR 118 -33.269 -1.030 0.378 865 HG1 THR 118 HG1 THR 118 -32.756 -1.456 2.535 866 1HG2 THR 118 1HG2 THR 118 -31.059 -0.407 1.338 867 2HG2 THR 118 2HG2 THR 118 -31.544 0.712 0.060 868 3HG2 THR 118 3HG2 THR 118 -31.701 1.198 1.762 869 H HIS 119 H HIS 119 -35.039 -0.299 -1.398 870 HA HIS 119 HA HIS 119 -33.583 1.364 -3.289 871 1HB HIS 119 1HB HIS 119 -34.258 -1.048 -3.607 872 2HB HIS 119 2HB HIS 119 -35.923 -0.507 -3.808 873 HD2 HIS 119 HD2 HIS 119 -36.592 0.495 -6.172 874 HE1 HIS 119 HE1 HIS 119 -32.789 0.132 -8.072 875 HE2 HIS 119 HE2 HIS 119 -35.260 0.633 -8.444 876 H ILE 120 H ILE 120 -36.982 1.201 -2.181 877 HA ILE 120 HA ILE 120 -38.052 3.158 -3.944 878 HB ILE 120 HB ILE 120 -38.995 2.288 -1.203 879 1HG1 ILE 120 1HG1 ILE 120 -39.777 1.514 -4.062 880 2HG1 ILE 120 2HG1 ILE 120 -38.868 0.517 -2.935 881 1HG2 ILE 120 1HG2 ILE 120 -40.472 3.915 -3.327 882 2HG2 ILE 120 2HG2 ILE 120 -41.184 3.278 -1.829 883 3HG2 ILE 120 3HG2 ILE 120 -39.951 4.516 -1.736 884 1HD1 ILE 120 1HD1 ILE 120 -40.831 0.435 -1.399 885 2HD1 ILE 120 2HD1 ILE 120 -41.789 1.274 -2.650 886 3HD1 ILE 120 3HD1 ILE 120 -41.098 -0.315 -2.987 887 H LYS 121 H LYS 121 -36.625 3.619 -0.668 888 HA LYS 121 HA LYS 121 -36.991 6.488 -0.565 889 1HB LYS 121 1HB LYS 121 -34.916 4.640 0.691 890 2HB LYS 121 2HB LYS 121 -35.016 6.372 1.037 891 1HG LYS 121 1HG LYS 121 -37.331 6.116 1.850 892 2HG LYS 121 2HG LYS 121 -37.274 4.382 1.553 893 1HD LYS 121 1HD LYS 121 -35.524 5.930 3.512 894 2HD LYS 121 2HD LYS 121 -36.913 4.914 3.922 895 1HE LYS 121 1HE LYS 121 -35.717 2.935 2.951 896 2HE LYS 121 2HE LYS 121 -34.311 3.962 2.644 897 1HZ LYS 121 1HZ LYS 121 -34.160 4.372 5.040 898 2HZ LYS 121 2HZ LYS 121 -35.458 3.427 5.335 899 3HZ LYS 121 3HZ LYS 121 -34.085 2.770 4.750 900 H ASN 122 H ASN 122 -34.419 4.486 -1.999 901 HA ASN 122 HA ASN 122 -32.814 6.764 -2.756 902 1HB ASN 122 1HB ASN 122 -32.709 3.814 -3.413 903 2HB ASN 122 2HB ASN 122 -31.729 4.994 -4.281 904 1HD2 ASN 122 1HD2 ASN 122 -29.705 4.593 -3.526 905 2HD2 ASN 122 2HD2 ASN 122 -29.274 4.708 -1.813 906 H LEU 123 H LEU 123 -35.638 5.294 -4.328 907 HA LEU 123 HA LEU 123 -35.174 6.290 -6.981 908 1HB LEU 123 1HB LEU 123 -37.852 6.175 -5.528 909 2HB LEU 123 2HB LEU 123 -37.608 6.313 -7.257 910 HG LEU 123 HG LEU 123 -36.897 3.897 -5.570 911 1HD1 LEU 123 1HD1 LEU 123 -39.144 4.324 -7.567 912 2HD1 LEU 123 2HD1 LEU 123 -38.800 2.829 -6.668 913 3HD1 LEU 123 3HD1 LEU 123 -39.325 4.280 -5.800 914 1HD2 LEU 123 1HD2 LEU 123 -36.640 2.714 -7.703 915 2HD2 LEU 123 2HD2 LEU 123 -36.808 4.253 -8.582 916 3HD2 LEU 123 3HD2 LEU 123 -35.419 3.978 -7.497 917 H ARG 124 H ARG 124 -36.792 7.811 -4.158 918 HA ARG 124 HA ARG 124 -37.260 10.375 -5.277 919 1HB ARG 124 1HB ARG 124 -38.313 9.304 -3.223 920 2HB ARG 124 2HB ARG 124 -36.799 9.610 -2.348 921 1HG ARG 124 1HG ARG 124 -37.032 12.024 -2.843 922 2HG ARG 124 2HG ARG 124 -38.543 11.682 -3.716 923 1HD ARG 124 1HD ARG 124 -39.598 10.915 -1.647 924 2HD ARG 124 2HD ARG 124 -38.074 11.144 -0.756 925 HE ARG 124 HE ARG 124 -38.616 13.607 -1.981 926 1HH1 ARG 124 1HH1 ARG 124 -40.243 11.700 0.474 927 2HH1 ARG 124 2HH1 ARG 124 -40.952 13.113 1.210 928 1HH2 ARG 124 1HH2 ARG 124 -39.519 15.314 -1.031 929 2HH2 ARG 124 2HH2 ARG 124 -40.547 15.133 0.368 930 H LEU 125 H LEU 125 -34.468 9.070 -3.501 931 HA LEU 125 HA LEU 125 -33.005 11.507 -3.259 932 1HB LEU 125 1HB LEU 125 -32.569 9.377 -2.009 933 2HB LEU 125 2HB LEU 125 -31.962 8.661 -3.504 934 HG LEU 125 HG LEU 125 -30.114 10.306 -3.570 935 1HD1 LEU 125 1HD1 LEU 125 -31.209 11.191 -0.860 936 2HD1 LEU 125 2HD1 LEU 125 -29.620 11.636 -1.522 937 3HD1 LEU 125 3HD1 LEU 125 -31.088 12.192 -2.327 938 1HD2 LEU 125 1HD2 LEU 125 -29.827 8.106 -2.498 939 2HD2 LEU 125 2HD2 LEU 125 -28.855 9.347 -1.691 940 3HD2 LEU 125 3HD2 LEU 125 -30.367 8.782 -0.945 941 H ARG 126 H ARG 126 -33.061 9.070 -5.886 942 HA ARG 126 HA ARG 126 -31.036 10.408 -7.521 943 1HB ARG 126 1HB ARG 126 -33.107 8.256 -8.152 944 2HB ARG 126 2HB ARG 126 -31.915 8.832 -9.305 945 1HG ARG 126 1HG ARG 126 -31.294 7.430 -6.669 946 2HG ARG 126 2HG ARG 126 -31.250 6.702 -8.268 947 1HD ARG 126 1HD ARG 126 -29.439 8.931 -7.264 948 2HD ARG 126 2HD ARG 126 -29.015 7.222 -7.416 949 HE ARG 126 HE ARG 126 -29.882 8.003 -9.965 950 1HH1 ARG 126 1HH1 ARG 126 -27.220 8.887 -7.865 951 2HH1 ARG 126 2HH1 ARG 126 -26.200 9.347 -9.201 952 1HH2 ARG 126 1HH2 ARG 126 -28.533 8.614 -11.621 953 2HH2 ARG 126 2HH2 ARG 126 -26.929 9.187 -11.268 954 H GLU 127 H GLU 127 -34.622 10.423 -7.555 955 HA GLU 127 HA GLU 127 -34.579 13.009 -8.965 956 1HB GLU 127 1HB GLU 127 -34.413 11.302 -10.785 957 2HB GLU 127 2HB GLU 127 -35.923 10.576 -10.227 958 1HG GLU 127 1HG GLU 127 -37.130 12.677 -10.732 959 2HG GLU 127 2HG GLU 127 -35.611 13.464 -11.167 960 H GLN 128 H GLN 128 -36.231 14.280 -8.341 961 HA GLN 128 HA GLN 128 -38.850 13.235 -7.587 962 1HB GLN 128 1HB GLN 128 -38.908 14.228 -5.367 963 2HB GLN 128 2HB GLN 128 -37.699 12.954 -5.473 964 1HG GLN 128 1HG GLN 128 -35.898 14.651 -5.650 965 2HG GLN 128 2HG GLN 128 -37.092 15.946 -5.528 966 1HE2 GLN 128 1HE2 GLN 128 -34.778 14.713 -3.697 967 2HE2 GLN 128 2HE2 GLN 128 -35.568 14.739 -2.126 Start of MODEL 4 1 1H ALA 2 1H ALA 2 -2.252 22.310 2.218 2 HA ALA 2 HA ALA 2 -4.198 21.499 0.399 3 1HB ALA 2 1HB ALA 2 -3.764 23.657 -0.704 4 2HB ALA 2 2HB ALA 2 -3.733 23.824 1.061 5 3HB ALA 2 3HB ALA 2 -2.208 23.792 0.143 6 H ASP 3 H ASP 3 -0.739 21.029 -0.013 7 HA ASP 3 HA ASP 3 -0.829 20.609 -2.897 8 1HB ASP 3 1HB ASP 3 1.498 20.027 -2.652 9 2HB ASP 3 2HB ASP 3 1.153 21.500 -1.759 10 H GLU 4 H GLU 4 -1.823 18.687 -0.283 11 HA GLU 4 HA GLU 4 -2.005 16.270 -1.979 12 1HB GLU 4 1HB GLU 4 -1.148 14.812 -0.212 13 2HB GLU 4 2HB GLU 4 0.070 15.938 -0.787 14 1HG GLU 4 1HG GLU 4 -0.225 17.347 1.223 15 2HG GLU 4 2HG GLU 4 -1.526 16.296 1.786 16 H PHE 5 H PHE 5 -3.865 18.340 -0.952 17 HA PHE 5 HA PHE 5 -6.009 16.565 0.003 18 1HB PHE 5 1HB PHE 5 -4.843 17.500 2.027 19 2HB PHE 5 2HB PHE 5 -5.212 19.120 1.453 20 HD1 PHE 5 HD1 PHE 5 -6.802 20.098 2.856 21 HD2 PHE 5 HD2 PHE 5 -7.256 15.939 1.789 22 HE1 PHE 5 HE1 PHE 5 -8.949 20.007 4.096 23 HE2 PHE 5 HE2 PHE 5 -9.406 15.864 3.011 24 HZ PHE 5 HZ PHE 5 -10.258 17.898 4.173 25 H GLY 6 H GLY 6 -8.125 18.166 0.219 26 1HA GLY 6 1HA GLY 6 -8.245 20.305 -1.757 27 2HA GLY 6 2HA GLY 6 -8.939 18.796 -2.347 28 H ASN 7 H ASN 7 -10.789 20.321 -2.518 29 HA ASN 7 HA ASN 7 -12.207 21.386 -0.316 30 1HB ASN 7 1HB ASN 7 -14.067 21.610 -1.919 31 2HB ASN 7 2HB ASN 7 -12.541 22.102 -2.631 32 1HD2 ASN 7 1HD2 ASN 7 -15.005 19.449 -2.612 33 2HD2 ASN 7 2HD2 ASN 7 -14.490 18.843 -4.175 34 H GLY 8 H GLY 8 -14.404 20.845 0.372 35 1HA GLY 8 1HA GLY 8 -14.584 18.176 1.489 36 2HA GLY 8 2HA GLY 8 -15.755 19.480 1.658 37 H ASP 9 H ASP 9 -16.746 17.090 1.488 38 HA ASP 9 HA ASP 9 -18.314 16.985 -0.988 39 1HB ASP 9 1HB ASP 9 -16.221 15.575 -1.355 40 2HB ASP 9 2HB ASP 9 -16.729 14.565 -0.007 41 H ALA 10 H ALA 10 -19.943 14.930 -0.574 42 HA ALA 10 HA ALA 10 -21.559 15.534 1.662 43 1HB ALA 10 1HB ALA 10 -22.330 14.390 -0.388 44 2HB ALA 10 2HB ALA 10 -21.385 12.949 0.052 45 3HB ALA 10 3HB ALA 10 -22.756 13.460 1.060 46 H LEU 11 H LEU 11 -22.129 14.220 3.550 47 HA LEU 11 HA LEU 11 -19.779 13.405 5.026 48 1HB LEU 11 1HB LEU 11 -21.853 14.659 5.873 49 2HB LEU 11 2HB LEU 11 -22.623 13.082 6.013 50 HG LEU 11 HG LEU 11 -20.005 13.949 7.350 51 1HD1 LEU 11 1HD1 LEU 11 -22.002 15.111 8.237 52 2HD1 LEU 11 2HD1 LEU 11 -22.788 13.542 8.530 53 3HD1 LEU 11 3HD1 LEU 11 -21.320 13.994 9.428 54 1HD2 LEU 11 1HD2 LEU 11 -20.325 11.932 8.801 55 2HD2 LEU 11 2HD2 LEU 11 -21.619 11.392 7.709 56 3HD2 LEU 11 3HD2 LEU 11 -19.940 11.542 7.131 57 H ASP 12 H ASP 12 -18.904 11.723 4.071 58 HA ASP 12 HA ASP 12 -20.175 9.034 4.322 59 1HB ASP 12 1HB ASP 12 -20.165 9.799 1.960 60 2HB ASP 12 2HB ASP 12 -18.419 10.038 2.044 61 H LEU 13 H LEU 13 -19.052 9.830 6.404 62 HA LEU 13 HA LEU 13 -16.243 8.823 6.599 63 1HB LEU 13 1HB LEU 13 -17.566 11.139 8.086 64 2HB LEU 13 2HB LEU 13 -15.906 10.617 8.294 65 HG LEU 13 HG LEU 13 -17.015 11.836 5.719 66 1HD1 LEU 13 1HD1 LEU 13 -15.389 13.083 7.965 67 2HD1 LEU 13 2HD1 LEU 13 -15.783 13.855 6.415 68 3HD1 LEU 13 3HD1 LEU 13 -17.083 13.450 7.547 69 1HD2 LEU 13 1HD2 LEU 13 -14.647 12.125 5.133 70 2HD2 LEU 13 2HD2 LEU 13 -14.153 11.306 6.634 71 3HD2 LEU 13 3HD2 LEU 13 -15.026 10.414 5.363 72 HA PRO 14 HA PRO 14 -17.980 6.453 10.031 73 1HB PRO 14 1HB PRO 14 -15.785 6.015 11.614 74 2HB PRO 14 2HB PRO 14 -16.012 5.212 10.029 75 1HG PRO 14 1HG PRO 14 -14.377 7.668 10.670 76 2HG PRO 14 2HG PRO 14 -13.895 6.253 9.696 77 1HD PRO 14 1HD PRO 14 -14.799 8.577 8.567 78 2HD PRO 14 2HD PRO 14 -15.149 6.980 7.843 79 H VAL 15 H VAL 15 -18.608 6.775 12.260 80 HA VAL 15 HA VAL 15 -17.944 9.415 13.493 81 HB VAL 15 HB VAL 15 -20.769 8.329 13.193 82 1HG1 VAL 15 1HG1 VAL 15 -21.421 10.517 14.175 83 2HG1 VAL 15 2HG1 VAL 15 -20.460 9.570 15.310 84 3HG1 VAL 15 3HG1 VAL 15 -19.708 10.918 14.424 85 1HG2 VAL 15 1HG2 VAL 15 -21.166 10.373 11.828 86 2HG2 VAL 15 2HG2 VAL 15 -19.424 10.728 11.874 87 3HG2 VAL 15 3HG2 VAL 15 -20.027 9.271 11.055 88 H GLY 16 H GLY 16 -17.064 9.029 15.350 89 1HA GLY 16 1HA GLY 16 -16.912 8.411 17.572 90 2HA GLY 16 2HA GLY 16 -18.349 7.408 17.420 91 H LYS 17 H LYS 17 -16.353 6.539 18.954 92 HA LYS 17 HA LYS 17 -14.294 4.988 17.799 93 1HB LYS 17 1HB LYS 17 -14.324 5.694 20.119 94 2HB LYS 17 2HB LYS 17 -15.714 4.656 20.472 95 1HG LYS 17 1HG LYS 17 -14.449 2.673 20.249 96 2HG LYS 17 2HG LYS 17 -13.174 3.469 19.318 97 1HD LYS 17 1HD LYS 17 -12.410 2.864 21.545 98 2HD LYS 17 2HD LYS 17 -12.338 4.607 21.266 99 1HE LYS 17 1HE LYS 17 -14.306 4.990 22.622 100 2HE LYS 17 2HE LYS 17 -14.620 3.252 22.766 101 1HZ LYS 17 1HZ LYS 17 -12.108 4.498 23.759 102 2HZ LYS 17 2HZ LYS 17 -13.433 4.290 24.718 103 3HZ LYS 17 3HZ LYS 17 -12.653 3.003 24.078 104 H ASP 18 H ASP 18 -17.681 4.111 18.162 105 HA ASP 18 HA ASP 18 -17.388 1.270 17.766 106 1HB ASP 18 1HB ASP 18 -19.708 3.159 17.187 107 2HB ASP 18 2HB ASP 18 -19.802 1.401 17.101 108 H ALA 19 H ALA 19 -17.947 3.965 15.430 109 HA ALA 19 HA ALA 19 -18.032 2.251 13.100 110 1HB ALA 19 1HB ALA 19 -17.789 4.357 11.858 111 2HB ALA 19 2HB ALA 19 -19.017 4.518 13.134 112 3HB ALA 19 3HB ALA 19 -17.392 5.219 13.364 113 H VAL 20 H VAL 20 -15.435 4.117 14.728 114 HA VAL 20 HA VAL 20 -13.356 3.494 12.834 115 HB VAL 20 HB VAL 20 -13.210 4.255 15.775 116 1HG1 VAL 20 1HG1 VAL 20 -11.007 3.959 13.695 117 2HG1 VAL 20 2HG1 VAL 20 -10.818 4.881 15.202 118 3HG1 VAL 20 3HG1 VAL 20 -11.125 3.145 15.271 119 1HG2 VAL 20 1HG2 VAL 20 -12.766 5.835 13.196 120 2HG2 VAL 20 2HG2 VAL 20 -14.155 6.002 14.282 121 3HG2 VAL 20 3HG2 VAL 20 -12.547 6.464 14.842 122 H ASN 21 H ASN 21 -14.484 1.750 15.777 123 HA ASN 21 HA ASN 21 -12.537 -0.364 15.658 124 1HB ASN 21 1HB ASN 21 -15.243 0.046 16.934 125 2HB ASN 21 2HB ASN 21 -14.750 -1.613 16.673 126 1HD2 ASN 21 1HD2 ASN 21 -13.876 1.371 18.321 127 2HD2 ASN 21 2HD2 ASN 21 -12.801 0.575 19.484 128 H SER 22 H SER 22 -15.806 -0.097 14.170 129 HA SER 22 HA SER 22 -15.782 -2.661 12.903 130 1HB SER 22 1HB SER 22 -17.169 -0.107 11.984 131 2HB SER 22 2HB SER 22 -17.532 -1.754 11.445 132 HG SER 22 HG SER 22 -17.855 -0.654 14.058 133 H LEU 23 H LEU 23 -14.705 0.535 11.698 134 HA LEU 23 HA LEU 23 -13.938 -0.262 9.082 135 1HB LEU 23 1HB LEU 23 -14.335 2.054 9.927 136 2HB LEU 23 2HB LEU 23 -12.882 1.942 10.911 137 HG LEU 23 HG LEU 23 -11.492 1.806 8.860 138 1HD1 LEU 23 1HD1 LEU 23 -12.551 2.381 6.670 139 2HD1 LEU 23 2HD1 LEU 23 -13.093 0.810 7.270 140 3HD1 LEU 23 3HD1 LEU 23 -14.155 2.227 7.420 141 1HD2 LEU 23 1HD2 LEU 23 -11.870 4.156 8.174 142 2HD2 LEU 23 2HD2 LEU 23 -13.477 4.118 8.939 143 3HD2 LEU 23 3HD2 LEU 23 -12.011 3.973 9.932 144 H ILE 24 H ILE 24 -11.996 -0.146 12.101 145 HA ILE 24 HA ILE 24 -9.540 -1.074 10.890 146 HB ILE 24 HB ILE 24 -10.550 -1.040 13.758 147 1HG1 ILE 24 1HG1 ILE 24 -8.344 0.629 12.458 148 2HG1 ILE 24 2HG1 ILE 24 -10.017 1.162 12.530 149 1HG2 ILE 24 1HG2 ILE 24 -8.925 -2.860 13.648 150 2HG2 ILE 24 2HG2 ILE 24 -7.802 -1.850 12.714 151 3HG2 ILE 24 3HG2 ILE 24 -8.152 -1.493 14.422 152 1HD1 ILE 24 1HD1 ILE 24 -9.928 0.916 15.056 153 2HD1 ILE 24 2HD1 ILE 24 -8.170 0.677 14.896 154 3HD1 ILE 24 3HD1 ILE 24 -8.910 2.190 14.369 155 H ARG 25 H ARG 25 -12.179 -2.807 12.623 156 HA ARG 25 HA ARG 25 -10.933 -5.405 12.483 157 1HB ARG 25 1HB ARG 25 -13.799 -4.515 12.967 158 2HB ARG 25 2HB ARG 25 -13.252 -6.200 13.109 159 1HG ARG 25 1HG ARG 25 -11.800 -5.748 14.882 160 2HG ARG 25 2HG ARG 25 -11.890 -3.997 14.659 161 1HD ARG 25 1HD ARG 25 -14.367 -4.155 15.226 162 2HD ARG 25 2HD ARG 25 -14.072 -5.815 15.740 163 HE ARG 25 HE ARG 25 -13.182 -3.303 17.046 164 1HH1 ARG 25 1HH1 ARG 25 -12.775 -6.788 17.130 165 2HH1 ARG 25 2HH1 ARG 25 -12.108 -6.737 18.740 166 1HH2 ARG 25 1HH2 ARG 25 -12.385 -3.302 19.013 167 2HH2 ARG 25 2HH2 ARG 25 -11.886 -4.789 19.798 168 H GLU 26 H GLU 26 -13.008 -3.730 10.172 169 HA GLU 26 HA GLU 26 -13.286 -6.137 8.473 170 1HB GLU 26 1HB GLU 26 -14.164 -3.241 8.156 171 2HB GLU 26 2HB GLU 26 -14.376 -4.466 6.903 172 1HG GLU 26 1HG GLU 26 -15.678 -5.881 8.461 173 2HG GLU 26 2HG GLU 26 -15.540 -4.654 9.714 174 H ASN 27 H ASN 27 -10.898 -3.674 8.836 175 HA ASN 27 HA ASN 27 -9.598 -4.490 6.273 176 1HB ASN 27 1HB ASN 27 -9.819 -1.655 7.326 177 2HB ASN 27 2HB ASN 27 -8.982 -2.146 5.864 178 1HD2 ASN 27 1HD2 ASN 27 -12.068 -1.466 7.300 179 2HD2 ASN 27 2HD2 ASN 27 -12.991 -1.555 5.789 180 H SER 28 H SER 28 -9.028 -5.546 8.856 181 HA SER 28 HA SER 28 -6.948 -4.312 10.262 182 1HB SER 28 1HB SER 28 -7.367 -7.298 9.946 183 2HB SER 28 2HB SER 28 -6.512 -6.468 11.261 184 HG SER 28 HG SER 28 -8.782 -5.270 11.221 185 H HIS 29 H HIS 29 -6.655 -5.633 7.119 186 HA HIS 29 HA HIS 29 -3.818 -6.310 7.209 187 1HB HIS 29 1HB HIS 29 -4.084 -6.581 4.802 188 2HB HIS 29 2HB HIS 29 -5.360 -7.422 5.668 189 HD2 HIS 29 HD2 HIS 29 -5.004 -5.534 2.647 190 HE1 HIS 29 HE1 HIS 29 -8.909 -4.394 3.924 191 HE2 HIS 29 HE2 HIS 29 -7.286 -4.412 1.963 192 H ILE 30 H ILE 30 -5.609 -3.353 6.875 193 HA ILE 30 HA ILE 30 -3.116 -1.874 6.144 194 HB ILE 30 HB ILE 30 -4.527 -0.265 4.890 195 1HG1 ILE 30 1HG1 ILE 30 -6.667 -2.431 5.016 196 2HG1 ILE 30 2HG1 ILE 30 -6.728 -0.889 5.869 197 1HG2 ILE 30 1HG2 ILE 30 -4.499 -3.073 3.740 198 2HG2 ILE 30 2HG2 ILE 30 -4.498 -1.547 2.836 199 3HG2 ILE 30 3HG2 ILE 30 -3.100 -1.985 3.818 200 1HD1 ILE 30 1HD1 ILE 30 -6.698 0.295 3.662 201 2HD1 ILE 30 2HD1 ILE 30 -6.797 -1.292 2.856 202 3HD1 ILE 30 3HD1 ILE 30 -8.110 -0.745 3.910 203 H PHE 31 H PHE 31 -5.833 -1.996 8.302 204 HA PHE 31 HA PHE 31 -4.909 0.565 9.577 205 1HB PHE 31 1HB PHE 31 -7.698 -0.604 9.655 206 2HB PHE 31 2HB PHE 31 -7.190 0.938 10.311 207 HD1 PHE 31 HD1 PHE 31 -9.535 0.248 8.457 208 HD2 PHE 31 HD2 PHE 31 -5.614 1.871 7.719 209 HE1 PHE 31 HE1 PHE 31 -10.335 1.195 6.306 210 HE2 PHE 31 HE2 PHE 31 -6.418 2.829 5.579 211 HZ PHE 31 HZ PHE 31 -8.767 2.444 4.846 212 H SER 32 H SER 32 -4.923 0.581 11.856 213 HA SER 32 HA SER 32 -5.618 -1.829 13.381 214 1HB SER 32 1HB SER 32 -3.435 -2.279 14.259 215 2HB SER 32 2HB SER 32 -3.324 -2.327 12.496 216 HG SER 32 HG SER 32 -2.537 -0.163 12.578 217 H ASP 33 H ASP 33 -5.058 -1.545 15.726 218 HA ASP 33 HA ASP 33 -6.259 0.768 16.812 219 1HB ASP 33 1HB ASP 33 -6.107 -1.519 17.809 220 2HB ASP 33 2HB ASP 33 -4.387 -1.261 18.102 221 H THR 34 H THR 34 -2.917 0.325 15.850 222 HA THR 34 HA THR 34 -2.187 2.942 17.083 223 HB THR 34 HB THR 34 0.059 2.028 17.643 224 HG1 THR 34 HG1 THR 34 0.237 0.212 16.435 225 1HG2 THR 34 1HG2 THR 34 -1.718 2.191 19.368 226 2HG2 THR 34 2HG2 THR 34 -2.183 0.510 19.021 227 3HG2 THR 34 3HG2 THR 34 -0.566 0.874 19.657 228 H GLN 35 H GLN 35 -2.488 1.578 14.085 229 HA GLN 35 HA GLN 35 -0.703 3.577 12.940 230 1HB GLN 35 1HB GLN 35 0.848 1.638 13.515 231 2HB GLN 35 2HB GLN 35 -0.105 0.614 12.447 232 1HG GLN 35 1HG GLN 35 0.566 2.042 10.509 233 2HG GLN 35 2HG GLN 35 1.442 3.103 11.619 234 1HE2 GLN 35 1HE2 GLN 35 3.564 2.769 10.832 235 2HE2 GLN 35 2HE2 GLN 35 4.322 1.185 10.865 236 H CYS 36 H CYS 36 -1.133 4.062 10.819 237 HA CYS 36 HA CYS 36 -3.245 2.486 9.353 238 1HB CYS 36 1HB CYS 36 -4.084 4.713 10.049 239 2HB CYS 36 2HB CYS 36 -2.684 5.475 9.284 240 H LYS 37 H LYS 37 -2.320 1.417 7.655 241 HA LYS 37 HA LYS 37 0.338 2.126 6.639 242 1HB LYS 37 1HB LYS 37 -1.682 0.109 5.568 243 2HB LYS 37 2HB LYS 37 0.021 0.244 5.120 244 1HG LYS 37 1HG LYS 37 0.626 -0.221 7.549 245 2HG LYS 37 2HG LYS 37 -1.094 -0.567 7.836 246 1HD LYS 37 1HD LYS 37 -0.948 -2.221 5.884 247 2HD LYS 37 2HD LYS 37 0.805 -1.989 5.927 248 1HE LYS 37 1HE LYS 37 0.927 -2.855 8.200 249 2HE LYS 37 2HE LYS 37 -0.836 -2.852 8.349 250 1HZ LYS 37 1HZ LYS 37 -0.017 -5.078 7.847 251 2HZ LYS 37 2HZ LYS 37 -0.949 -4.533 6.612 252 3HZ LYS 37 3HZ LYS 37 0.685 -4.567 6.461 253 H VAL 38 H VAL 38 -2.977 2.539 5.356 254 HA VAL 38 HA VAL 38 -2.256 3.321 2.702 255 HB VAL 38 HB VAL 38 -4.655 4.203 4.358 256 1HG1 VAL 38 1HG1 VAL 38 -4.418 5.771 2.500 257 2HG1 VAL 38 2HG1 VAL 38 -4.135 4.433 1.359 258 3HG1 VAL 38 3HG1 VAL 38 -5.718 4.649 2.129 259 1HG2 VAL 38 1HG2 VAL 38 -4.567 1.773 4.005 260 2HG2 VAL 38 2HG2 VAL 38 -5.840 2.477 3.006 261 3HG2 VAL 38 3HG2 VAL 38 -4.297 2.007 2.265 262 H CYS 39 H CYS 39 -2.409 5.234 5.697 263 HA CYS 39 HA CYS 39 -1.399 7.650 4.295 264 1HB CYS 39 1HB CYS 39 -2.553 7.220 7.060 265 2HB CYS 39 2HB CYS 39 -2.168 8.763 6.313 266 H SER 40 H SER 40 -0.001 5.027 5.423 267 HA SER 40 HA SER 40 1.693 4.372 6.779 268 1HB SER 40 1HB SER 40 3.859 5.090 5.741 269 2HB SER 40 2HB SER 40 2.622 4.530 4.614 270 HG SER 40 HG SER 40 3.685 6.442 3.890 271 H ALA 41 H ALA 41 0.533 5.660 8.537 272 HA ALA 41 HA ALA 41 2.597 7.242 10.016 273 1HB ALA 41 1HB ALA 41 0.844 8.840 10.712 274 2HB ALA 41 2HB ALA 41 1.054 8.837 8.953 275 3HB ALA 41 3HB ALA 41 -0.337 8.003 9.683 276 H VAL 42 H VAL 42 2.598 7.117 12.190 277 HA VAL 42 HA VAL 42 1.253 4.792 13.429 278 HB VAL 42 HB VAL 42 3.412 6.683 14.479 279 1HG1 VAL 42 1HG1 VAL 42 2.246 5.637 16.381 280 2HG1 VAL 42 2HG1 VAL 42 2.419 4.033 15.627 281 3HG1 VAL 42 3HG1 VAL 42 3.844 4.931 16.185 282 1HG2 VAL 42 1HG2 VAL 42 3.605 3.837 13.385 283 2HG2 VAL 42 2HG2 VAL 42 4.226 5.303 12.591 284 3HG2 VAL 42 3HG2 VAL 42 4.940 4.760 14.108 285 H LEU 43 H LEU 43 0.041 4.924 15.282 286 HA LEU 43 HA LEU 43 -1.294 7.514 15.956 287 1HB LEU 43 1HB LEU 43 -2.550 4.766 15.564 288 2HB LEU 43 2HB LEU 43 -3.405 6.218 16.042 289 HG LEU 43 HG LEU 43 -1.932 5.928 13.376 290 1HD1 LEU 43 1HD1 LEU 43 -3.724 4.292 13.476 291 2HD1 LEU 43 2HD1 LEU 43 -4.881 5.545 13.948 292 3HD1 LEU 43 3HD1 LEU 43 -4.116 5.602 12.351 293 1HD2 LEU 43 1HD2 LEU 43 -3.248 7.863 12.709 294 2HD2 LEU 43 2HD2 LEU 43 -4.015 7.941 14.315 295 3HD2 LEU 43 3HD2 LEU 43 -2.284 8.275 14.131 296 H ILE 44 H ILE 44 0.395 7.532 17.529 297 HA ILE 44 HA ILE 44 0.961 5.667 19.499 298 HB ILE 44 HB ILE 44 1.980 7.515 20.750 299 1HG1 ILE 44 1HG1 ILE 44 0.740 9.382 18.673 300 2HG1 ILE 44 2HG1 ILE 44 0.196 9.232 20.343 301 1HG2 ILE 44 1HG2 ILE 44 3.075 6.436 18.768 302 2HG2 ILE 44 2HG2 ILE 44 2.512 7.792 17.762 303 3HG2 ILE 44 3HG2 ILE 44 3.639 8.072 19.101 304 1HD1 ILE 44 1HD1 ILE 44 2.454 9.964 21.127 305 2HD1 ILE 44 2HD1 ILE 44 2.912 10.249 19.428 306 3HD1 ILE 44 3HD1 ILE 44 1.595 11.179 20.160 307 H SER 45 H SER 45 -2.013 7.349 19.455 308 HA SER 45 HA SER 45 -2.781 6.232 22.056 309 1HB SER 45 1HB SER 45 -2.658 9.235 21.556 310 2HB SER 45 2HB SER 45 -3.749 8.522 22.751 311 HG SER 45 HG SER 45 -1.027 7.804 22.790 312 H GLU 46 H GLU 46 -5.084 6.316 22.407 313 HA GLU 46 HA GLU 46 -6.645 5.738 20.116 314 1HB GLU 46 1HB GLU 46 -7.121 4.913 22.349 315 2HB GLU 46 2HB GLU 46 -7.540 6.538 22.912 316 1HG GLU 46 1HG GLU 46 -9.516 6.616 21.607 317 2HG GLU 46 2HG GLU 46 -8.962 5.343 20.518 318 H SER 47 H SER 47 -6.304 8.910 21.808 319 HA SER 47 HA SER 47 -8.403 10.231 20.386 320 1HB SER 47 1HB SER 47 -7.237 12.300 20.964 321 2HB SER 47 2HB SER 47 -7.371 11.201 22.349 322 HG SER 47 HG SER 47 -5.270 11.961 22.300 323 H GLN 48 H GLN 48 -5.019 9.597 19.500 324 HA GLN 48 HA GLN 48 -5.060 11.202 17.074 325 1HB GLN 48 1HB GLN 48 -3.241 8.823 17.642 326 2HB GLN 48 2HB GLN 48 -2.980 10.142 16.510 327 1HG GLN 48 1HG GLN 48 -2.897 10.263 19.544 328 2HG GLN 48 2HG GLN 48 -1.565 10.462 18.411 329 1HE2 GLN 48 1HE2 GLN 48 -4.142 12.132 20.118 330 2HE2 GLN 48 2HE2 GLN 48 -3.820 13.701 19.392 331 H LYS 49 H LYS 49 -5.565 7.730 17.821 332 HA LYS 49 HA LYS 49 -6.021 6.904 15.111 333 1HB LYS 49 1HB LYS 49 -6.011 4.889 16.075 334 2HB LYS 49 2HB LYS 49 -5.838 5.675 17.633 335 1HG LYS 49 1HG LYS 49 -8.346 5.683 17.854 336 2HG LYS 49 2HG LYS 49 -8.434 4.749 16.350 337 1HD LYS 49 1HD LYS 49 -7.144 2.925 17.436 338 2HD LYS 49 2HD LYS 49 -7.003 3.901 18.913 339 1HE LYS 49 1HE LYS 49 -9.585 4.067 18.832 340 2HE LYS 49 2HE LYS 49 -9.505 2.756 17.632 341 1HZ LYS 49 1HZ LYS 49 -9.757 1.635 19.641 342 2HZ LYS 49 2HZ LYS 49 -8.128 1.591 19.503 343 3HZ LYS 49 3HZ LYS 49 -8.868 2.667 20.516 344 H LEU 50 H LEU 50 -8.330 7.945 17.594 345 HA LEU 50 HA LEU 50 -10.665 7.698 15.944 346 1HB LEU 50 1HB LEU 50 -10.079 9.417 18.404 347 2HB LEU 50 2HB LEU 50 -11.662 9.318 17.631 348 HG LEU 50 HG LEU 50 -10.185 7.026 18.988 349 1HD1 LEU 50 1HD1 LEU 50 -12.834 8.382 19.612 350 2HD1 LEU 50 2HD1 LEU 50 -12.070 7.070 20.532 351 3HD1 LEU 50 3HD1 LEU 50 -11.303 8.667 20.479 352 1HD2 LEU 50 1HD2 LEU 50 -11.362 6.038 17.124 353 2HD2 LEU 50 2HD2 LEU 50 -12.225 5.695 18.611 354 3HD2 LEU 50 3HD2 LEU 50 -12.838 6.961 17.514 355 H ALA 51 H ALA 51 -8.482 10.532 16.417 356 HA ALA 51 HA ALA 51 -10.089 12.199 14.675 357 1HB ALA 51 1HB ALA 51 -7.157 12.416 15.529 358 2HB ALA 51 2HB ALA 51 -8.120 13.706 14.777 359 3HB ALA 51 3HB ALA 51 -8.547 13.111 16.394 360 H HIS 52 H HIS 52 -7.195 10.139 14.075 361 HA HIS 52 HA HIS 52 -6.819 10.967 11.371 362 1HB HIS 52 1HB HIS 52 -5.152 9.801 12.812 363 2HB HIS 52 2HB HIS 52 -6.086 8.310 12.669 364 HD1 HIS 52 HD1 HIS 52 -3.440 10.286 10.909 365 HD2 HIS 52 HD2 HIS 52 -6.320 7.360 9.969 366 HE1 HIS 52 HE1 HIS 52 -2.808 9.356 8.612 367 H TYR 53 H TYR 53 -8.553 8.032 12.661 368 HA TYR 53 HA TYR 53 -9.303 7.175 10.026 369 1HB TYR 53 1HB TYR 53 -10.347 6.424 12.771 370 2HB TYR 53 2HB TYR 53 -10.892 5.661 11.281 371 HD1 TYR 53 HD1 TYR 53 -8.748 5.082 13.933 372 HD2 TYR 53 HD2 TYR 53 -8.780 5.019 9.635 373 HE1 TYR 53 HE1 TYR 53 -6.783 3.560 13.944 374 HE2 TYR 53 HE2 TYR 53 -6.792 3.517 9.641 375 HH TYR 53 HH TYR 53 -5.331 2.373 12.701 376 H GLN 54 H GLN 54 -10.835 9.544 12.118 377 HA GLN 54 HA GLN 54 -13.297 9.566 10.453 378 1HB GLN 54 1HB GLN 54 -12.473 11.193 12.884 379 2HB GLN 54 2HB GLN 54 -14.019 11.340 12.042 380 1HG GLN 54 1HG GLN 54 -14.577 8.995 12.556 381 2HG GLN 54 2HG GLN 54 -13.036 8.784 13.383 382 1HE2 GLN 54 1HE2 GLN 54 -12.631 10.276 15.264 383 2HE2 GLN 54 2HE2 GLN 54 -14.028 10.704 16.271 384 H SER 55 H SER 55 -10.210 11.030 10.282 385 HA SER 55 HA SER 55 -10.848 13.647 9.371 386 1HB SER 55 1HB SER 55 -8.613 13.035 10.103 387 2HB SER 55 2HB SER 55 -8.448 11.882 8.762 388 HG SER 55 HG SER 55 -7.508 14.070 8.481 389 H ARG 56 H ARG 56 -11.181 14.562 7.429 390 HA ARG 56 HA ARG 56 -12.252 13.063 5.206 391 1HB ARG 56 1HB ARG 56 -12.863 15.414 5.785 392 2HB ARG 56 2HB ARG 56 -11.234 15.936 5.357 393 1HG ARG 56 1HG ARG 56 -12.646 16.485 3.512 394 2HG ARG 56 2HG ARG 56 -11.671 15.118 2.997 395 1HD ARG 56 1HD ARG 56 -13.855 14.687 2.228 396 2HD ARG 56 2HD ARG 56 -13.623 13.607 3.612 397 HE ARG 56 HE ARG 56 -14.784 15.942 4.650 398 1HH1 ARG 56 1HH1 ARG 56 -15.823 13.502 2.350 399 2HH1 ARG 56 2HH1 ARG 56 -17.513 13.888 2.592 400 1HH2 ARG 56 1HH2 ARG 56 -16.950 16.413 4.827 401 2HH2 ARG 56 2HH2 ARG 56 -18.054 15.680 3.697 402 H LYS 57 H LYS 57 -8.997 14.252 5.950 403 HA LYS 57 HA LYS 57 -7.833 13.838 3.333 404 1HB LYS 57 1HB LYS 57 -6.986 15.162 5.431 405 2HB LYS 57 2HB LYS 57 -6.336 13.626 5.977 406 1HG LYS 57 1HG LYS 57 -5.618 15.153 3.436 407 2HG LYS 57 2HG LYS 57 -4.660 15.016 4.904 408 1HD LYS 57 1HD LYS 57 -4.525 12.486 4.443 409 2HD LYS 57 2HD LYS 57 -5.267 12.843 2.872 410 1HE LYS 57 1HE LYS 57 -2.961 12.752 2.444 411 2HE LYS 57 2HE LYS 57 -3.408 14.456 2.390 412 1HZ LYS 57 1HZ LYS 57 -2.489 14.695 4.640 413 2HZ LYS 57 2HZ LYS 57 -2.111 13.096 4.701 414 3HZ LYS 57 3HZ LYS 57 -1.360 14.080 3.630 415 H HIS 58 H HIS 58 -8.062 11.758 6.236 416 HA HIS 58 HA HIS 58 -6.757 9.432 5.125 417 1HB HIS 58 1HB HIS 58 -7.048 9.612 7.506 418 2HB HIS 58 2HB HIS 58 -8.793 9.816 7.346 419 HD2 HIS 58 HD2 HIS 58 -10.309 7.665 6.951 420 HE1 HIS 58 HE1 HIS 58 -7.243 4.728 7.321 421 HE2 HIS 58 HE2 HIS 58 -9.758 5.097 7.154 422 H ALA 59 H ALA 59 -10.252 10.326 5.339 423 HA ALA 59 HA ALA 59 -11.249 8.047 3.996 424 1HB ALA 59 1HB ALA 59 -13.262 9.414 3.654 425 2HB ALA 59 2HB ALA 59 -12.610 9.635 5.291 426 3HB ALA 59 3HB ALA 59 -12.354 10.888 4.053 427 H ASN 60 H ASN 60 -10.196 11.197 2.572 428 HA ASN 60 HA ASN 60 -10.823 10.544 -0.140 429 1HB ASN 60 1HB ASN 60 -10.388 12.836 0.690 430 2HB ASN 60 2HB ASN 60 -8.710 12.415 1.031 431 1HD2 ASN 60 1HD2 ASN 60 -11.057 13.075 -1.548 432 2HD2 ASN 60 2HD2 ASN 60 -9.838 13.240 -2.803 433 H LYS 61 H LYS 61 -7.721 10.125 1.699 434 HA LYS 61 HA LYS 61 -6.298 8.972 -0.483 435 1HB LYS 61 1HB LYS 61 -5.513 9.936 1.858 436 2HB LYS 61 2HB LYS 61 -5.672 8.254 2.396 437 1HG LYS 61 1HG LYS 61 -4.164 7.571 0.516 438 2HG LYS 61 2HG LYS 61 -4.080 9.271 0.001 439 1HD LYS 61 1HD LYS 61 -3.135 9.835 2.285 440 2HD LYS 61 2HD LYS 61 -3.020 8.103 2.607 441 1HE LYS 61 1HE LYS 61 -1.663 9.606 0.315 442 2HE LYS 61 2HE LYS 61 -0.881 9.140 1.827 443 1HZ LYS 61 1HZ LYS 61 -0.379 7.523 0.130 444 2HZ LYS 61 2HZ LYS 61 -1.328 6.802 1.253 445 3HZ LYS 61 3HZ LYS 61 -1.956 7.249 -0.195 446 H VAL 62 H VAL 62 -8.267 7.426 2.068 447 HA VAL 62 HA VAL 62 -7.785 4.708 1.211 448 HB VAL 62 HB VAL 62 -10.015 5.966 2.840 449 1HG1 VAL 62 1HG1 VAL 62 -10.602 3.643 3.532 450 2HG1 VAL 62 2HG1 VAL 62 -10.971 3.936 1.836 451 3HG1 VAL 62 3HG1 VAL 62 -9.519 3.006 2.273 452 1HG2 VAL 62 1HG2 VAL 62 -8.863 4.822 4.684 453 2HG2 VAL 62 2HG2 VAL 62 -7.671 4.138 3.559 454 3HG2 VAL 62 3HG2 VAL 62 -7.720 5.881 3.860 455 H ARG 63 H ARG 63 -10.334 7.077 0.287 456 HA ARG 63 HA ARG 63 -11.847 5.361 -1.420 457 1HB ARG 63 1HB ARG 63 -12.470 7.598 -0.538 458 2HB ARG 63 2HB ARG 63 -11.334 8.355 -1.658 459 1HG ARG 63 1HG ARG 63 -12.675 7.605 -3.575 460 2HG ARG 63 2HG ARG 63 -13.752 6.684 -2.489 461 1HD ARG 63 1HD ARG 63 -14.330 8.750 -1.284 462 2HD ARG 63 2HD ARG 63 -13.246 9.688 -2.328 463 HE ARG 63 HE ARG 63 -15.167 8.363 -3.973 464 1HH1 ARG 63 1HH1 ARG 63 -15.090 10.952 -1.605 465 2HH1 ARG 63 2HH1 ARG 63 -16.463 11.780 -2.308 466 1HH2 ARG 63 1HH2 ARG 63 -16.945 9.487 -4.813 467 2HH2 ARG 63 2HH2 ARG 63 -17.458 10.963 -4.039 468 H ARG 64 H ARG 64 -8.960 7.325 -2.152 469 HA ARG 64 HA ARG 64 -8.756 6.505 -4.953 470 1HB ARG 64 1HB ARG 64 -6.694 7.630 -2.994 471 2HB ARG 64 2HB ARG 64 -6.380 7.355 -4.704 472 1HG ARG 64 1HG ARG 64 -8.524 9.247 -3.633 473 2HG ARG 64 2HG ARG 64 -6.901 9.722 -4.133 474 1HD ARG 64 1HD ARG 64 -7.353 8.860 -6.421 475 2HD ARG 64 2HD ARG 64 -9.000 8.449 -5.948 476 HE ARG 64 HE ARG 64 -7.876 11.127 -6.449 477 1HH1 ARG 64 1HH1 ARG 64 -10.664 9.431 -5.171 478 2HH1 ARG 64 2HH1 ARG 64 -11.696 10.827 -5.332 479 1HH2 ARG 64 1HH2 ARG 64 -9.244 12.856 -6.626 480 2HH2 ARG 64 2HH2 ARG 64 -10.907 12.712 -6.138 481 H TYR 65 H TYR 65 -7.102 5.357 -1.977 482 HA TYR 65 HA TYR 65 -5.554 3.321 -3.178 483 1HB TYR 65 1HB TYR 65 -5.223 4.115 -0.895 484 2HB TYR 65 2HB TYR 65 -6.782 3.463 -0.403 485 HD1 TYR 65 HD1 TYR 65 -7.090 1.109 0.065 486 HD2 TYR 65 HD2 TYR 65 -3.336 2.568 -1.485 487 HE1 TYR 65 HE1 TYR 65 -6.037 -1.110 0.514 488 HE2 TYR 65 HE2 TYR 65 -2.286 0.360 -1.020 489 HH TYR 65 HH TYR 65 -2.599 -1.772 -0.242 490 H MET 66 H MET 66 -8.911 3.099 -1.916 491 HA MET 66 HA MET 66 -9.318 0.326 -2.336 492 1HB MET 66 1HB MET 66 -11.179 2.727 -2.196 493 2HB MET 66 2HB MET 66 -11.802 1.096 -2.486 494 1HG MET 66 1HG MET 66 -10.010 1.798 -0.139 495 2HG MET 66 2HG MET 66 -11.770 1.815 -0.060 496 1HE MET 66 1HE MET 66 -10.260 0.247 2.053 497 2HE MET 66 2HE MET 66 -9.770 -1.427 1.693 498 3HE MET 66 3HE MET 66 -8.859 -0.068 0.997 499 H ALA 67 H ALA 67 -9.515 3.015 -4.668 500 HA ALA 67 HA ALA 67 -10.648 1.355 -6.801 501 1HB ALA 67 1HB ALA 67 -10.254 3.347 -8.180 502 2HB ALA 67 2HB ALA 67 -11.059 3.791 -6.663 503 3HB ALA 67 3HB ALA 67 -9.323 4.106 -6.875 504 H ILE 68 H ILE 68 -7.392 2.609 -5.940 505 HA ILE 68 HA ILE 68 -5.950 1.525 -8.167 506 HB ILE 68 HB ILE 68 -5.100 2.286 -5.350 507 1HG1 ILE 68 1HG1 ILE 68 -4.595 3.738 -7.990 508 2HG1 ILE 68 2HG1 ILE 68 -6.009 4.062 -7.004 509 1HG2 ILE 68 1HG2 ILE 68 -3.428 0.695 -6.203 510 2HG2 ILE 68 2HG2 ILE 68 -3.324 1.591 -7.735 511 3HG2 ILE 68 3HG2 ILE 68 -2.756 2.313 -6.216 512 1HD1 ILE 68 1HD1 ILE 68 -3.126 4.522 -6.160 513 2HD1 ILE 68 2HD1 ILE 68 -4.368 5.732 -6.509 514 3HD1 ILE 68 3HD1 ILE 68 -4.533 4.688 -5.085 515 H ASN 69 H ASN 69 -6.740 0.118 -4.990 516 HA ASN 69 HA ASN 69 -5.259 -2.272 -5.115 517 1HB ASN 69 1HB ASN 69 -6.369 -1.275 -3.121 518 2HB ASN 69 2HB ASN 69 -7.948 -1.691 -3.790 519 1HD2 ASN 69 1HD2 ASN 69 -4.894 -3.060 -2.517 520 2HD2 ASN 69 2HD2 ASN 69 -5.615 -4.598 -2.074 521 H GLN 70 H GLN 70 -8.008 -1.451 -7.019 522 HA GLN 70 HA GLN 70 -8.225 -4.230 -8.073 523 1HB GLN 70 1HB GLN 70 -10.620 -3.982 -8.295 524 2HB GLN 70 2HB GLN 70 -10.131 -3.750 -6.618 525 1HG GLN 70 1HG GLN 70 -10.229 -1.245 -7.016 526 2HG GLN 70 2HG GLN 70 -10.923 -1.571 -8.602 527 1HE2 GLN 70 1HE2 GLN 70 -11.622 -1.045 -5.306 528 2HE2 GLN 70 2HE2 GLN 70 -13.304 -1.588 -5.344 529 H GLY 71 H GLY 71 -6.738 -1.691 -8.879 530 1HA GLY 71 1HA GLY 71 -7.258 -1.844 -11.774 531 2HA GLY 71 2HA GLY 71 -7.525 -0.266 -11.015 532 H GLU 72 H GLU 72 -5.070 -2.725 -10.277 533 HA GLU 72 HA GLU 72 -2.887 -0.859 -10.179 534 1HB GLU 72 1HB GLU 72 -3.333 -2.900 -8.740 535 2HB GLU 72 2HB GLU 72 -2.780 -3.887 -10.085 536 1HG GLU 72 1HG GLU 72 -0.988 -3.658 -8.524 537 2HG GLU 72 2HG GLU 72 -0.533 -2.706 -9.920 538 H ASP 73 H ASP 73 -3.868 -0.630 -12.737 539 HA ASP 73 HA ASP 73 -2.412 -2.161 -14.726 540 1HB ASP 73 1HB ASP 73 -4.645 -1.062 -15.034 541 2HB ASP 73 2HB ASP 73 -3.857 0.513 -14.927 542 H SER 74 H SER 74 -0.950 -1.100 -16.351 543 HA SER 74 HA SER 74 1.446 -0.138 -15.229 544 1HB SER 74 1HB SER 74 0.424 0.205 -18.076 545 2HB SER 74 2HB SER 74 2.109 0.367 -17.556 546 HG SER 74 HG SER 74 2.102 -1.825 -16.956 547 H VAL 75 H VAL 75 2.326 1.812 -14.805 548 HA VAL 75 HA VAL 75 0.615 4.129 -14.568 549 HB VAL 75 HB VAL 75 3.620 3.856 -14.156 550 1HG1 VAL 75 1HG1 VAL 75 3.407 5.864 -12.734 551 2HG1 VAL 75 2HG1 VAL 75 2.972 6.241 -14.398 552 3HG1 VAL 75 3HG1 VAL 75 1.696 6.018 -13.177 553 1HG2 VAL 75 1HG2 VAL 75 3.028 3.736 -11.745 554 2HG2 VAL 75 2HG2 VAL 75 1.303 3.719 -12.172 555 3HG2 VAL 75 3HG2 VAL 75 2.360 2.370 -12.639 556 HA PRO 76 HA PRO 76 1.699 5.761 -18.675 557 1HB PRO 76 1HB PRO 76 0.137 7.971 -18.741 558 2HB PRO 76 2HB PRO 76 -0.569 6.335 -18.667 559 1HG PRO 76 1HG PRO 76 -0.064 8.221 -16.336 560 2HG PRO 76 2HG PRO 76 -1.592 7.387 -16.769 561 1HD PRO 76 1HD PRO 76 0.174 6.375 -14.936 562 2HD PRO 76 2HD PRO 76 -0.795 5.319 -16.005 563 H ALA 77 H ALA 77 3.788 5.965 -17.006 564 HA ALA 77 HA ALA 77 4.640 8.511 -16.123 565 1HB ALA 77 1HB ALA 77 5.563 6.356 -15.362 566 2HB ALA 77 2HB ALA 77 6.270 6.077 -16.971 567 3HB ALA 77 3HB ALA 77 6.850 7.418 -15.961 568 H LYS 78 H LYS 78 6.323 9.862 -16.848 569 HA LYS 78 HA LYS 78 6.109 10.798 -19.540 570 1HB LYS 78 1HB LYS 78 7.693 12.479 -18.903 571 2HB LYS 78 2HB LYS 78 6.530 12.233 -17.604 572 1HG LYS 78 1HG LYS 78 8.206 10.830 -16.386 573 2HG LYS 78 2HG LYS 78 9.375 11.122 -17.693 574 1HD LYS 78 1HD LYS 78 9.245 13.557 -17.271 575 2HD LYS 78 2HD LYS 78 8.067 13.273 -15.973 576 1HE LYS 78 1HE LYS 78 9.752 11.901 -14.753 577 2HE LYS 78 2HE LYS 78 10.927 12.198 -16.040 578 1HZ LYS 78 1HZ LYS 78 11.238 13.735 -14.185 579 2HZ LYS 78 2HZ LYS 78 10.803 14.578 -15.511 580 3HZ LYS 78 3HZ LYS 78 9.715 14.301 -14.322 581 H LYS 79 H LYS 79 7.964 11.313 -20.924 582 HA LYS 79 HA LYS 79 9.388 8.929 -21.817 583 1HB LYS 79 1HB LYS 79 9.424 11.819 -22.794 584 2HB LYS 79 2HB LYS 79 10.259 10.469 -23.578 585 1HG LYS 79 1HG LYS 79 8.103 9.304 -23.933 586 2HG LYS 79 2HG LYS 79 7.245 10.620 -23.125 587 1HD LYS 79 1HD LYS 79 6.996 10.896 -25.493 588 2HD LYS 79 2HD LYS 79 8.014 12.207 -24.877 589 1HE LYS 79 1HE LYS 79 10.041 11.008 -25.670 590 2HE LYS 79 2HE LYS 79 9.038 9.663 -26.228 591 1HZ LYS 79 1HZ LYS 79 9.584 11.178 -28.047 592 2HZ LYS 79 2HZ LYS 79 7.973 11.196 -27.796 593 3HZ LYS 79 3HZ LYS 79 8.896 12.442 -27.278 594 H PHE 80 H PHE 80 10.425 8.727 -19.660 595 HA PHE 80 HA PHE 80 12.351 10.256 -18.473 596 1HB PHE 80 1HB PHE 80 13.177 8.207 -17.475 597 2HB PHE 80 2HB PHE 80 11.427 8.183 -17.577 598 HD1 PHE 80 HD1 PHE 80 10.257 6.577 -19.046 599 HD2 PHE 80 HD2 PHE 80 14.569 6.709 -18.888 600 HE1 PHE 80 HE1 PHE 80 10.372 4.425 -20.277 601 HE2 PHE 80 HE2 PHE 80 14.676 4.556 -20.119 602 HZ PHE 80 HZ PHE 80 12.579 3.415 -20.821 603 H LYS 81 H LYS 81 12.926 8.506 -21.472 604 HA LYS 81 HA LYS 81 15.806 8.527 -21.421 605 1HB LYS 81 1HB LYS 81 14.323 7.049 -22.802 606 2HB LYS 81 2HB LYS 81 13.902 8.449 -23.801 607 1HG LYS 81 1HG LYS 81 16.247 8.657 -24.535 608 2HG LYS 81 2HG LYS 81 16.741 7.402 -23.392 609 1HD LYS 81 1HD LYS 81 16.659 6.469 -25.611 610 2HD LYS 81 2HD LYS 81 15.377 5.738 -24.636 611 1HE LYS 81 1HE LYS 81 13.711 7.258 -25.676 612 2HE LYS 81 2HE LYS 81 14.996 8.045 -26.604 613 1HZ LYS 81 1HZ LYS 81 14.216 5.186 -26.862 614 2HZ LYS 81 2HZ LYS 81 13.845 6.364 -27.928 615 3HZ LYS 81 3HZ LYS 81 15.399 5.917 -27.722 616 H ALA 82 H ALA 82 13.490 11.040 -22.221 617 HA ALA 82 HA ALA 82 15.235 12.682 -23.828 618 1HB ALA 82 1HB ALA 82 12.753 12.757 -23.908 619 2HB ALA 82 2HB ALA 82 12.726 13.397 -22.247 620 3HB ALA 82 3HB ALA 82 13.452 14.348 -23.558 621 H ALA 83 H ALA 83 15.941 14.853 -23.269 622 HA ALA 83 HA ALA 83 16.453 15.541 -20.461 623 1HB ALA 83 1HB ALA 83 18.698 15.023 -22.476 624 2HB ALA 83 2HB ALA 83 18.915 15.726 -20.861 625 3HB ALA 83 3HB ALA 83 18.350 14.054 -21.026 626 HA PRO 84 HA PRO 84 15.905 19.578 -22.245 627 1HB PRO 84 1HB PRO 84 17.195 21.244 -20.490 628 2HB PRO 84 2HB PRO 84 15.681 20.377 -20.094 629 1HG PRO 84 1HG PRO 84 18.523 19.564 -19.412 630 2HG PRO 84 2HG PRO 84 17.095 19.617 -18.328 631 1HD PRO 84 1HD PRO 84 17.927 17.310 -19.510 632 2HD PRO 84 2HD PRO 84 16.189 17.658 -19.275 633 H ALA 85 H ALA 85 16.845 20.986 -23.652 634 HA ALA 85 HA ALA 85 19.731 21.371 -23.885 635 1HB ALA 85 1HB ALA 85 19.454 19.198 -25.051 636 2HB ALA 85 2HB ALA 85 18.203 19.910 -26.094 637 3HB ALA 85 3HB ALA 85 19.883 20.479 -26.197 638 H GLU 86 H GLU 86 16.530 21.929 -25.205 639 HA GLU 86 HA GLU 86 17.170 24.754 -25.859 640 1HB GLU 86 1HB GLU 86 15.991 22.694 -27.780 641 2HB GLU 86 2HB GLU 86 15.804 24.419 -28.027 642 1HG GLU 86 1HG GLU 86 18.454 22.924 -27.950 643 2HG GLU 86 2HG GLU 86 17.614 23.480 -29.384 644 H ILE 87 H ILE 87 15.214 26.032 -26.273 645 HA ILE 87 HA ILE 87 13.228 25.694 -24.232 646 HB ILE 87 HB ILE 87 13.298 27.514 -26.662 647 1HG1 ILE 87 1HG1 ILE 87 15.275 27.912 -25.330 648 2HG1 ILE 87 2HG1 ILE 87 14.170 29.252 -25.169 649 1HG2 ILE 87 1HG2 ILE 87 11.827 29.033 -25.310 650 2HG2 ILE 87 2HG2 ILE 87 11.039 27.552 -25.846 651 3HG2 ILE 87 3HG2 ILE 87 11.579 27.701 -24.161 652 1HD1 ILE 87 1HD1 ILE 87 15.197 28.736 -23.024 653 2HD1 ILE 87 2HD1 ILE 87 13.461 28.409 -22.925 654 3HD1 ILE 87 3HD1 ILE 87 14.619 27.066 -23.089 655 H SER 88 H SER 88 13.311 24.584 -27.533 656 HA SER 88 HA SER 88 10.725 23.177 -27.178 657 1HB SER 88 1HB SER 88 9.964 23.905 -29.441 658 2HB SER 88 2HB SER 88 9.990 25.204 -28.244 659 HG SER 88 HG SER 88 11.764 26.097 -29.210 660 H ASP 89 H ASP 89 12.991 23.865 -29.781 661 HA ASP 89 HA ASP 89 14.117 21.141 -29.899 662 1HB ASP 89 1HB ASP 89 12.004 20.953 -31.203 663 2HB ASP 89 2HB ASP 89 12.498 22.314 -32.206 664 H GLY 90 H GLY 90 13.912 24.439 -31.209 665 1HA GLY 90 1HA GLY 90 16.751 24.855 -31.201 666 2HA GLY 90 2HA GLY 90 16.187 24.553 -32.848 667 H GLU 91 H GLU 91 14.054 26.226 -30.565 668 HA GLU 91 HA GLU 91 14.789 28.919 -31.489 669 1HB GLU 91 1HB GLU 91 13.368 27.993 -33.292 670 2HB GLU 91 2HB GLU 91 12.097 27.626 -32.127 671 1HG GLU 91 1HG GLU 91 11.690 29.984 -31.731 672 2HG GLU 91 2HG GLU 91 13.162 30.436 -32.600 673 H ASP 92 H ASP 92 14.020 30.538 -30.128 674 HA ASP 92 HA ASP 92 13.312 29.787 -27.429 675 1HB ASP 92 1HB ASP 92 14.923 31.556 -27.962 676 2HB ASP 92 2HB ASP 92 13.644 32.516 -28.708 677 H ARG 93 H ARG 93 11.313 28.717 -28.340 678 HA ARG 93 HA ARG 93 8.947 30.350 -28.852 679 1HB ARG 93 1HB ARG 93 9.310 27.356 -28.427 680 2HB ARG 93 2HB ARG 93 7.807 28.145 -28.927 681 1HG ARG 93 1HG ARG 93 8.965 29.129 -30.894 682 2HG ARG 93 2HG ARG 93 10.400 28.171 -30.489 683 1HD ARG 93 1HD ARG 93 9.122 26.094 -30.757 684 2HD ARG 93 2HD ARG 93 7.646 27.027 -31.098 685 HE ARG 93 HE ARG 93 9.599 27.959 -32.903 686 1HH1 ARG 93 1HH1 ARG 93 8.068 24.827 -32.462 687 2HH1 ARG 93 2HH1 ARG 93 8.324 24.412 -34.137 688 1HH2 ARG 93 1HH2 ARG 93 9.893 27.432 -34.827 689 2HH2 ARG 93 2HH2 ARG 93 9.361 25.892 -35.512 690 H SER 94 H SER 94 10.219 30.889 -26.287 691 HA SER 94 HA SER 94 8.426 29.940 -24.168 692 1HB SER 94 1HB SER 94 9.711 31.529 -22.773 693 2HB SER 94 2HB SER 94 10.783 30.455 -23.683 694 HG SER 94 HG SER 94 11.534 32.114 -24.776 695 H LYS 95 H LYS 95 8.230 32.434 -26.484 696 HA LYS 95 HA LYS 95 5.945 33.762 -25.045 697 1HB LYS 95 1HB LYS 95 8.256 35.049 -26.534 698 2HB LYS 95 2HB LYS 95 6.737 35.873 -26.183 699 1HG LYS 95 1HG LYS 95 7.065 35.399 -23.736 700 2HG LYS 95 2HG LYS 95 8.648 34.692 -24.116 701 1HD LYS 95 1HD LYS 95 9.371 36.855 -25.098 702 2HD LYS 95 2HD LYS 95 7.787 37.558 -24.688 703 1HE LYS 95 1HE LYS 95 8.200 37.081 -22.285 704 2HE LYS 95 2HE LYS 95 9.767 36.369 -22.689 705 1HZ LYS 95 1HZ LYS 95 9.016 39.207 -23.162 706 2HZ LYS 95 2HZ LYS 95 10.003 38.678 -21.976 707 3HZ LYS 95 3HZ LYS 95 10.465 38.548 -23.534 708 H CYS 96 H CYS 96 6.907 32.187 -27.881 709 HA CYS 96 HA CYS 96 4.337 32.826 -29.179 710 1HB CYS 96 1HB CYS 96 5.416 33.267 -31.344 711 2HB CYS 96 2HB CYS 96 5.894 34.458 -30.129 712 HG CYS 96 HG CYS 96 7.948 33.921 -31.673 713 H CYS 97 H CYS 97 3.601 31.331 -30.649 714 HA CYS 97 HA CYS 97 4.995 28.700 -30.878 715 1HB CYS 97 1HB CYS 97 3.501 28.445 -29.046 716 2HB CYS 97 2HB CYS 97 2.183 29.245 -29.905 717 HA PRO 98 HA PRO 98 3.486 30.251 -34.972 718 1HB PRO 98 1HB PRO 98 5.426 29.103 -36.556 719 2HB PRO 98 2HB PRO 98 5.649 30.642 -35.670 720 1HG PRO 98 1HG PRO 98 6.521 27.865 -34.823 721 2HG PRO 98 2HG PRO 98 7.480 29.380 -34.811 722 1HD PRO 98 1HD PRO 98 6.257 28.428 -32.580 723 2HD PRO 98 2HD PRO 98 6.350 30.185 -32.899 724 H VAL 99 H VAL 99 4.172 27.017 -33.807 725 HA VAL 99 HA VAL 99 2.994 25.404 -35.843 726 HB VAL 99 HB VAL 99 3.211 25.024 -32.832 727 1HG1 VAL 99 1HG1 VAL 99 1.466 23.516 -33.564 728 2HG1 VAL 99 2HG1 VAL 99 2.453 22.960 -34.944 729 3HG1 VAL 99 3HG1 VAL 99 2.923 22.596 -33.266 730 1HG2 VAL 99 1HG2 VAL 99 5.093 23.534 -33.422 731 2HG2 VAL 99 2HG2 VAL 99 4.860 23.908 -35.143 732 3HG2 VAL 99 3HG2 VAL 99 5.385 25.173 -34.012 733 H CYS 100 H CYS 100 1.517 27.275 -33.223 734 HA CYS 100 HA CYS 100 -1.226 26.528 -34.191 735 1HB CYS 100 1HB CYS 100 -0.250 27.383 -31.443 736 2HB CYS 100 2HB CYS 100 -1.903 27.066 -31.914 737 H ASN 101 H ASN 101 0.930 28.929 -34.275 738 HA ASN 101 HA ASN 101 1.103 31.123 -34.479 739 1HB ASN 101 1HB ASN 101 -0.400 32.236 -36.066 740 2HB ASN 101 2HB ASN 101 0.197 30.680 -36.616 741 1HD2 ASN 101 1HD2 ASN 101 -2.680 32.124 -35.015 742 2HD2 ASN 101 2HD2 ASN 101 -3.831 31.079 -35.856 743 H MET 102 H MET 102 0.806 30.842 -32.080 744 HA MET 102 HA MET 102 -0.945 33.071 -31.107 745 1HB MET 102 1HB MET 102 -0.571 30.363 -29.762 746 2HB MET 102 2HB MET 102 -1.339 31.766 -29.013 747 1HG MET 102 1HG MET 102 -2.981 31.792 -30.942 748 2HG MET 102 2HG MET 102 -2.343 30.217 -31.407 749 1HE MET 102 1HE MET 102 -1.826 28.835 -28.470 750 2HE MET 102 2HE MET 102 -3.365 27.964 -28.332 751 3HE MET 102 3HE MET 102 -2.522 28.026 -29.894 752 H THR 103 H THR 103 -0.300 33.783 -28.867 753 HA THR 103 HA THR 103 2.622 33.642 -28.340 754 HB THR 103 HB THR 103 2.593 36.070 -27.787 755 HG1 THR 103 HG1 THR 103 0.901 37.305 -28.642 756 1HG2 THR 103 1HG2 THR 103 3.461 35.267 -29.975 757 2HG2 THR 103 2HG2 THR 103 1.849 35.498 -30.688 758 3HG2 THR 103 3HG2 THR 103 2.762 36.891 -30.069 759 H PHE 104 H PHE 104 3.263 34.329 -26.219 760 HA PHE 104 HA PHE 104 1.193 33.905 -24.103 761 1HB PHE 104 1HB PHE 104 3.976 32.739 -23.935 762 2HB PHE 104 2HB PHE 104 2.560 32.343 -22.990 763 HD1 PHE 104 HD1 PHE 104 0.514 31.284 -24.355 764 HD2 PHE 104 HD2 PHE 104 4.606 31.359 -25.713 765 HE1 PHE 104 HE1 PHE 104 0.038 29.398 -25.900 766 HE2 PHE 104 HE2 PHE 104 4.128 29.502 -27.260 767 HZ PHE 104 HZ PHE 104 1.840 28.504 -27.358 768 H SER 105 H SER 105 1.529 34.916 -22.124 769 HA SER 105 HA SER 105 3.150 37.335 -22.134 770 1HB SER 105 1HB SER 105 2.122 37.642 -19.880 771 2HB SER 105 2HB SER 105 0.942 37.377 -21.175 772 HG SER 105 HG SER 105 0.495 36.108 -19.302 773 H SER 106 H SER 106 3.703 34.092 -20.991 774 HA SER 106 HA SER 106 6.354 34.756 -19.937 775 1HB SER 106 1HB SER 106 4.032 33.921 -18.157 776 2HB SER 106 2HB SER 106 5.680 33.450 -17.735 777 HG SER 106 HG SER 106 5.014 36.136 -18.340 778 HA PRO 107 HA PRO 107 7.254 30.659 -21.331 779 1HB PRO 107 1HB PRO 107 9.019 29.658 -19.427 780 2HB PRO 107 2HB PRO 107 9.442 30.825 -20.709 781 1HG PRO 107 1HG PRO 107 8.712 31.401 -17.832 782 2HG PRO 107 2HG PRO 107 10.064 32.080 -18.794 783 1HD PRO 107 1HD PRO 107 7.787 33.471 -18.442 784 2HD PRO 107 2HD PRO 107 8.595 33.472 -20.034 785 H VAL 108 H VAL 108 6.114 30.896 -17.964 786 HA VAL 108 HA VAL 108 5.464 28.122 -17.592 787 HB VAL 108 HB VAL 108 4.101 30.559 -16.373 788 1HG1 VAL 108 1HG1 VAL 108 3.564 28.999 -14.505 789 2HG1 VAL 108 2HG1 VAL 108 2.778 28.513 -16.007 790 3HG1 VAL 108 3HG1 VAL 108 4.230 27.650 -15.452 791 1HG2 VAL 108 1HG2 VAL 108 5.626 30.161 -14.444 792 2HG2 VAL 108 2HG2 VAL 108 6.471 28.909 -15.380 793 3HG2 VAL 108 3HG2 VAL 108 6.522 30.610 -15.894 794 H VAL 109 H VAL 109 3.685 30.802 -19.112 795 HA VAL 109 HA VAL 109 1.247 29.268 -19.577 796 HB VAL 109 HB VAL 109 2.183 31.863 -20.872 797 1HG1 VAL 109 1HG1 VAL 109 -0.608 30.661 -20.595 798 2HG1 VAL 109 2HG1 VAL 109 -0.224 32.254 -21.286 799 3HG1 VAL 109 3HG1 VAL 109 0.316 30.785 -22.103 800 1HG2 VAL 109 1HG2 VAL 109 0.451 31.423 -18.405 801 2HG2 VAL 109 2HG2 VAL 109 2.061 32.177 -18.442 802 3HG2 VAL 109 3HG2 VAL 109 0.701 32.982 -19.221 803 H ALA 110 H ALA 110 4.242 29.922 -21.414 804 HA ALA 110 HA ALA 110 3.381 28.751 -23.903 805 1HB ALA 110 1HB ALA 110 5.398 30.184 -23.601 806 2HB ALA 110 2HB ALA 110 6.194 28.846 -22.743 807 3HB ALA 110 3HB ALA 110 5.723 28.659 -24.442 808 H GLU 111 H GLU 111 5.126 27.386 -21.063 809 HA GLU 111 HA GLU 111 5.191 24.663 -21.920 810 1HB GLU 111 1HB GLU 111 5.220 25.975 -19.176 811 2HB GLU 111 2HB GLU 111 5.383 24.236 -19.389 812 1HG GLU 111 1HG GLU 111 7.261 26.209 -20.753 813 2HG GLU 111 2HG GLU 111 7.529 25.597 -19.126 814 H SER 112 H SER 112 2.668 26.395 -19.974 815 HA SER 112 HA SER 112 1.100 24.085 -19.461 816 1HB SER 112 1HB SER 112 -0.593 25.458 -18.695 817 2HB SER 112 2HB SER 112 0.890 26.357 -18.342 818 HG SER 112 HG SER 112 -0.839 27.618 -19.262 819 H HIS 113 H HIS 113 1.168 26.201 -22.310 820 HA HIS 113 HA HIS 113 -1.101 24.960 -23.639 821 1HB HIS 113 1HB HIS 113 -0.453 27.195 -24.249 822 2HB HIS 113 2HB HIS 113 1.203 26.705 -24.581 823 HD1 HIS 113 HD1 HIS 113 -2.320 26.034 -26.101 824 HD2 HIS 113 HD2 HIS 113 1.787 25.996 -27.005 825 HE1 HIS 113 HE1 HIS 113 -2.131 25.511 -28.596 826 H TYR 114 H TYR 114 2.485 24.509 -23.896 827 HA TYR 114 HA TYR 114 2.367 22.525 -25.926 828 1HB TYR 114 1HB TYR 114 4.501 22.971 -23.810 829 2HB TYR 114 2HB TYR 114 4.697 21.999 -25.264 830 HD1 TYR 114 HD1 TYR 114 6.185 24.646 -24.195 831 HD2 TYR 114 HD2 TYR 114 3.285 23.802 -27.282 832 HE1 TYR 114 HE1 TYR 114 6.862 26.710 -25.420 833 HE2 TYR 114 HE2 TYR 114 3.957 25.848 -28.476 834 HH TYR 114 HH TYR 114 6.408 28.099 -27.222 835 H ILE 115 H ILE 115 2.026 22.034 -22.412 836 HA ILE 115 HA ILE 115 2.231 19.128 -22.734 837 HB ILE 115 HB ILE 115 1.610 18.939 -20.395 838 1HG1 ILE 115 1HG1 ILE 115 1.624 21.006 -18.949 839 2HG1 ILE 115 2HG1 ILE 115 1.321 21.966 -20.388 840 1HG2 ILE 115 1HG2 ILE 115 3.645 19.914 -19.508 841 2HG2 ILE 115 2HG2 ILE 115 3.940 19.275 -21.130 842 3HG2 ILE 115 3HG2 ILE 115 3.768 21.025 -20.883 843 1HD1 ILE 115 1HD1 ILE 115 -0.513 19.749 -19.382 844 2HD1 ILE 115 2HD1 ILE 115 -0.702 21.471 -19.000 845 3HD1 ILE 115 3HD1 ILE 115 -0.874 20.929 -20.669 846 H GLY 116 H GLY 116 -0.204 21.178 -23.689 847 1HA GLY 116 1HA GLY 116 -2.450 19.346 -23.044 848 2HA GLY 116 2HA GLY 116 -2.562 20.954 -23.746 849 H LYS 117 H LYS 117 -3.755 18.394 -24.590 850 HA LYS 117 HA LYS 117 -2.520 17.313 -26.903 851 1HB LYS 117 1HB LYS 117 -4.342 16.275 -25.579 852 2HB LYS 117 2HB LYS 117 -5.492 17.450 -26.241 853 1HG LYS 117 1HG LYS 117 -5.208 16.554 -28.484 854 2HG LYS 117 2HG LYS 117 -3.814 15.587 -27.982 855 1HD LYS 117 1HD LYS 117 -5.746 14.159 -28.263 856 2HD LYS 117 2HD LYS 117 -5.263 14.189 -26.562 857 1HE LYS 117 1HE LYS 117 -7.072 15.832 -26.079 858 2HE LYS 117 2HE LYS 117 -7.535 15.827 -27.787 859 1HZ LYS 117 1HZ LYS 117 -7.646 13.465 -25.982 860 2HZ LYS 117 2HZ LYS 117 -8.935 14.331 -26.480 861 3HZ LYS 117 3HZ LYS 117 -8.077 13.457 -27.558 862 H THR 118 H THR 118 -4.406 20.281 -26.646 863 HA THR 118 HA THR 118 -5.138 20.706 -29.331 864 HB THR 118 HB THR 118 -4.127 22.844 -27.418 865 HG1 THR 118 HG1 THR 118 -6.268 22.903 -26.703 866 1HG2 THR 118 1HG2 THR 118 -4.612 23.699 -29.688 867 2HG2 THR 118 2HG2 THR 118 -6.208 22.915 -29.654 868 3HG2 THR 118 3HG2 THR 118 -5.839 24.253 -28.543 869 H HIS 119 H HIS 119 -1.959 21.326 -27.773 870 HA HIS 119 HA HIS 119 -0.742 22.490 -30.144 871 1HB HIS 119 1HB HIS 119 0.077 22.852 -27.822 872 2HB HIS 119 2HB HIS 119 0.540 21.153 -27.726 873 HD2 HIS 119 HD2 HIS 119 2.916 20.544 -28.629 874 HE1 HIS 119 HE1 HIS 119 3.840 24.182 -30.655 875 HE2 HIS 119 HE2 HIS 119 4.758 21.927 -29.912 876 H ILE 120 H ILE 120 -0.796 19.207 -28.732 877 HA ILE 120 HA ILE 120 0.920 17.976 -30.647 878 HB ILE 120 HB ILE 120 -1.173 16.787 -28.807 879 1HG1 ILE 120 1HG1 ILE 120 1.870 17.120 -28.632 880 2HG1 ILE 120 2HG1 ILE 120 0.678 18.024 -27.707 881 1HG2 ILE 120 1HG2 ILE 120 1.017 15.359 -30.385 882 2HG2 ILE 120 2HG2 ILE 120 -0.049 14.616 -29.169 883 3HG2 ILE 120 3HG2 ILE 120 -0.733 15.209 -30.666 884 1HD1 ILE 120 1HD1 ILE 120 1.291 15.072 -27.395 885 2HD1 ILE 120 2HD1 ILE 120 1.584 16.385 -26.249 886 3HD1 ILE 120 3HD1 ILE 120 -0.083 15.900 -26.616 887 H LYS 121 H LYS 121 -2.615 18.465 -30.732 888 HA LYS 121 HA LYS 121 -3.103 16.965 -33.155 889 1HB LYS 121 1HB LYS 121 -4.489 19.385 -31.917 890 2HB LYS 121 2HB LYS 121 -5.051 18.600 -33.401 891 1HG LYS 121 1HG LYS 121 -5.382 16.477 -32.241 892 2HG LYS 121 2HG LYS 121 -4.672 17.121 -30.764 893 1HD LYS 121 1HD LYS 121 -7.069 17.074 -30.523 894 2HD LYS 121 2HD LYS 121 -6.528 18.759 -30.564 895 1HE LYS 121 1HE LYS 121 -7.192 18.918 -32.955 896 2HE LYS 121 2HE LYS 121 -7.670 17.215 -32.944 897 1HZ LYS 121 1HZ LYS 121 -9.582 18.680 -32.633 898 2HZ LYS 121 2HZ LYS 121 -9.376 17.773 -31.293 899 3HZ LYS 121 3HZ LYS 121 -8.930 19.347 -31.295 900 H ASN 122 H ASN 122 -1.989 20.306 -32.628 901 HA ASN 122 HA ASN 122 -1.869 20.924 -35.470 902 1HB ASN 122 1HB ASN 122 -0.803 22.318 -32.993 903 2HB ASN 122 2HB ASN 122 -0.454 22.865 -34.633 904 1HD2 ASN 122 1HD2 ASN 122 -3.097 22.483 -32.254 905 2HD2 ASN 122 2HD2 ASN 122 -4.196 23.499 -33.176 906 H LEU 123 H LEU 123 0.520 19.527 -33.153 907 HA LEU 123 HA LEU 123 2.825 19.674 -34.824 908 1HB LEU 123 1HB LEU 123 2.012 17.344 -33.026 909 2HB LEU 123 2HB LEU 123 3.584 17.569 -33.744 910 HG LEU 123 HG LEU 123 2.381 19.408 -31.647 911 1HD1 LEU 123 1HD1 LEU 123 2.958 17.087 -30.852 912 2HD1 LEU 123 2HD1 LEU 123 4.610 17.338 -31.433 913 3HD1 LEU 123 3HD1 LEU 123 3.962 18.351 -30.123 914 1HD2 LEU 123 1HD2 LEU 123 4.689 20.242 -31.434 915 2HD2 LEU 123 2HD2 LEU 123 5.178 19.273 -32.839 916 3HD2 LEU 123 3HD2 LEU 123 4.012 20.603 -33.034 917 H ARG 124 H ARG 124 0.269 17.173 -34.710 918 HA ARG 124 HA ARG 124 1.261 15.516 -36.832 919 1HB ARG 124 1HB ARG 124 -1.572 15.897 -35.766 920 2HB ARG 124 2HB ARG 124 -1.079 14.632 -36.898 921 1HG ARG 124 1HG ARG 124 0.529 13.737 -35.235 922 2HG ARG 124 2HG ARG 124 0.070 15.001 -34.092 923 1HD ARG 124 1HD ARG 124 -1.099 12.993 -33.468 924 2HD ARG 124 2HD ARG 124 -2.263 14.161 -34.078 925 HE ARG 124 HE ARG 124 -2.755 12.770 -35.871 926 1HH1 ARG 124 1HH1 ARG 124 0.117 11.453 -34.344 927 2HH1 ARG 124 2HH1 ARG 124 0.054 9.993 -35.291 928 1HH2 ARG 124 1HH2 ARG 124 -2.764 10.890 -37.042 929 2HH2 ARG 124 2HH2 ARG 124 -1.536 9.689 -36.773 930 H LEU 125 H LEU 125 -0.872 18.352 -36.966 931 HA LEU 125 HA LEU 125 -1.480 18.095 -39.795 932 1HB LEU 125 1HB LEU 125 -1.907 20.122 -37.632 933 2HB LEU 125 2HB LEU 125 -1.786 20.763 -39.262 934 HG LEU 125 HG LEU 125 -3.590 19.320 -40.051 935 1HD1 LEU 125 1HD1 LEU 125 -3.378 17.392 -38.506 936 2HD1 LEU 125 2HD1 LEU 125 -3.903 18.424 -37.156 937 3HD1 LEU 125 3HD1 LEU 125 -5.013 18.062 -38.491 938 1HD2 LEU 125 1HD2 LEU 125 -5.424 20.437 -38.846 939 2HD2 LEU 125 2HD2 LEU 125 -4.312 20.875 -37.529 940 3HD2 LEU 125 3HD2 LEU 125 -4.093 21.564 -39.153 941 H ARG 126 H ARG 126 1.140 19.699 -38.004 942 HA ARG 126 HA ARG 126 2.296 20.980 -40.391 943 1HB ARG 126 1HB ARG 126 3.008 20.741 -37.459 944 2HB ARG 126 2HB ARG 126 4.262 21.200 -38.600 945 1HG ARG 126 1HG ARG 126 3.139 23.122 -37.504 946 2HG ARG 126 2HG ARG 126 3.148 23.182 -39.267 947 1HD ARG 126 1HD ARG 126 0.794 22.609 -39.388 948 2HD ARG 126 2HD ARG 126 0.756 22.209 -37.676 949 HE ARG 126 HE ARG 126 0.613 24.418 -37.075 950 1HH1 ARG 126 1HH1 ARG 126 1.238 24.401 -40.535 951 2HH1 ARG 126 2HH1 ARG 126 0.890 26.102 -40.671 952 1HH2 ARG 126 1HH2 ARG 126 0.237 26.495 -37.307 953 2HH2 ARG 126 2HH2 ARG 126 0.333 27.280 -38.865 954 H GLU 127 H GLU 127 2.996 17.996 -38.561 955 HA GLU 127 HA GLU 127 4.497 16.958 -40.882 956 1HB GLU 127 1HB GLU 127 6.175 18.218 -39.523 957 2HB GLU 127 2HB GLU 127 5.804 17.193 -38.133 958 1HG GLU 127 1HG GLU 127 6.575 15.201 -39.389 959 2HG GLU 127 2HG GLU 127 6.841 16.192 -40.825 960 H GLN 128 H GLN 128 4.102 14.854 -41.171 961 HA GLN 128 HA GLN 128 3.686 12.976 -38.977 962 1HB GLN 128 1HB GLN 128 1.483 12.176 -39.784 963 2HB GLN 128 2HB GLN 128 1.455 13.768 -39.066 964 1HG GLN 128 1HG GLN 128 -0.018 13.824 -40.931 965 2HG GLN 128 2HG GLN 128 1.372 14.809 -41.340 966 1HE2 GLN 128 1HE2 GLN 128 1.251 14.612 -43.630 967 2HE2 GLN 128 2HE2 GLN 128 1.395 13.061 -44.443 Start of MODEL 5 1 1H ALA 2 1H ALA 2 -41.528 7.819 12.838 2 HA ALA 2 HA ALA 2 -40.165 7.767 15.448 3 1HB ALA 2 1HB ALA 2 -41.189 5.506 15.286 4 2HB ALA 2 2HB ALA 2 -40.423 5.270 13.699 5 3HB ALA 2 3HB ALA 2 -39.425 5.419 15.160 6 H ASP 3 H ASP 3 -37.837 7.311 15.189 7 HA ASP 3 HA ASP 3 -36.658 7.808 12.485 8 1HB ASP 3 1HB ASP 3 -36.992 10.025 13.542 9 2HB ASP 3 2HB ASP 3 -36.082 9.492 14.956 10 H GLU 4 H GLU 4 -36.199 6.906 15.882 11 HA GLU 4 HA GLU 4 -33.515 5.875 15.669 12 1HB GLU 4 1HB GLU 4 -33.988 4.863 17.843 13 2HB GLU 4 2HB GLU 4 -34.410 6.564 17.811 14 1HG GLU 4 1HG GLU 4 -36.542 4.435 17.371 15 2HG GLU 4 2HG GLU 4 -35.972 4.824 18.982 16 H PHE 5 H PHE 5 -36.486 4.636 14.546 17 HA PHE 5 HA PHE 5 -35.921 1.795 14.692 18 1HB PHE 5 1HB PHE 5 -38.181 2.945 14.663 19 2HB PHE 5 2HB PHE 5 -37.915 3.319 12.969 20 HD1 PHE 5 HD1 PHE 5 -38.062 0.451 15.402 21 HD2 PHE 5 HD2 PHE 5 -38.645 1.744 11.327 22 HE1 PHE 5 HE1 PHE 5 -39.053 -1.757 14.841 23 HE2 PHE 5 HE2 PHE 5 -39.637 -0.464 10.771 24 HZ PHE 5 HZ PHE 5 -39.841 -2.217 12.526 25 H GLY 6 H GLY 6 -34.530 4.177 12.760 26 1HA GLY 6 1HA GLY 6 -33.446 2.220 10.824 27 2HA GLY 6 2HA GLY 6 -34.389 3.554 10.158 28 H ASN 7 H ASN 7 -32.403 4.063 9.024 29 HA ASN 7 HA ASN 7 -30.659 5.932 10.514 30 1HB ASN 7 1HB ASN 7 -29.618 3.602 10.487 31 2HB ASN 7 2HB ASN 7 -29.555 3.715 8.730 32 1HD2 ASN 7 1HD2 ASN 7 -27.205 3.274 9.311 33 2HD2 ASN 7 2HD2 ASN 7 -26.209 4.686 9.634 34 H GLY 8 H GLY 8 -29.310 7.216 9.003 35 1HA GLY 8 1HA GLY 8 -29.640 7.494 6.230 36 2HA GLY 8 2HA GLY 8 -30.908 8.486 6.964 37 H ASP 9 H ASP 9 -29.086 9.093 9.331 38 HA ASP 9 HA ASP 9 -27.894 11.518 8.327 39 1HB ASP 9 1HB ASP 9 -28.947 11.180 10.572 40 2HB ASP 9 2HB ASP 9 -27.601 10.134 11.022 41 H ALA 10 H ALA 10 -26.650 8.304 8.568 42 HA ALA 10 HA ALA 10 -23.883 8.771 9.021 43 1HB ALA 10 1HB ALA 10 -25.301 6.519 7.531 44 2HB ALA 10 2HB ALA 10 -23.643 6.466 8.167 45 3HB ALA 10 3HB ALA 10 -25.009 6.600 9.286 46 H LEU 11 H LEU 11 -22.128 8.245 7.455 47 HA LEU 11 HA LEU 11 -22.470 8.977 4.664 48 1HB LEU 11 1HB LEU 11 -21.023 10.819 4.668 49 2HB LEU 11 2HB LEU 11 -22.190 11.148 5.926 50 HG LEU 11 HG LEU 11 -19.326 10.186 6.374 51 1HD1 LEU 11 1HD1 LEU 11 -20.576 12.929 6.757 52 2HD1 LEU 11 2HD1 LEU 11 -18.900 12.472 7.139 53 3HD1 LEU 11 3HD1 LEU 11 -19.455 12.463 5.457 54 1HD2 LEU 11 1HD2 LEU 11 -19.691 10.903 8.738 55 2HD2 LEU 11 2HD2 LEU 11 -21.420 11.123 8.380 56 3HD2 LEU 11 3HD2 LEU 11 -20.667 9.511 8.295 57 H ASP 12 H ASP 12 -20.120 9.048 3.773 58 HA ASP 12 HA ASP 12 -19.030 6.391 3.895 59 1HB ASP 12 1HB ASP 12 -18.020 8.912 2.512 60 2HB ASP 12 2HB ASP 12 -17.435 7.280 2.192 61 H LEU 13 H LEU 13 -18.674 8.176 6.379 62 HA LEU 13 HA LEU 13 -15.861 7.461 6.992 63 1HB LEU 13 1HB LEU 13 -17.142 10.203 7.488 64 2HB LEU 13 2HB LEU 13 -15.667 9.643 8.230 65 HG LEU 13 HG LEU 13 -14.936 9.277 5.653 66 1HD1 LEU 13 1HD1 LEU 13 -16.764 11.728 5.593 67 2HD1 LEU 13 2HD1 LEU 13 -15.670 11.193 4.298 68 3HD1 LEU 13 3HD1 LEU 13 -17.075 10.213 4.725 69 1HD2 LEU 13 1HD2 LEU 13 -13.708 10.556 7.339 70 2HD2 LEU 13 2HD2 LEU 13 -13.811 11.469 5.836 71 3HD2 LEU 13 3HD2 LEU 13 -14.864 11.900 7.205 72 HA PRO 14 HA PRO 14 -17.829 6.222 10.826 73 1HB PRO 14 1HB PRO 14 -15.753 6.302 12.610 74 2HB PRO 14 2HB PRO 14 -15.884 5.066 11.323 75 1HG PRO 14 1HG PRO 14 -14.241 7.600 11.300 76 2HG PRO 14 2HG PRO 14 -13.743 5.954 10.822 77 1HD PRO 14 1HD PRO 14 -14.546 7.853 9.017 78 2HD PRO 14 2HD PRO 14 -14.879 6.119 8.764 79 H VAL 15 H VAL 15 -18.533 7.117 12.888 80 HA VAL 15 HA VAL 15 -17.967 9.983 13.385 81 HB VAL 15 HB VAL 15 -19.839 9.730 11.740 82 1HG1 VAL 15 1HG1 VAL 15 -21.482 8.699 14.079 83 2HG1 VAL 15 2HG1 VAL 15 -22.060 9.103 12.453 84 3HG1 VAL 15 3HG1 VAL 15 -20.955 7.741 12.678 85 1HG2 VAL 15 1HG2 VAL 15 -21.217 11.463 12.593 86 2HG2 VAL 15 2HG2 VAL 15 -20.714 11.158 14.262 87 3HG2 VAL 15 3HG2 VAL 15 -19.542 11.780 13.078 88 H GLY 16 H GLY 16 -17.316 7.527 14.782 89 1HA GLY 16 1HA GLY 16 -17.537 8.391 17.450 90 2HA GLY 16 2HA GLY 16 -18.821 7.201 17.202 91 H LYS 17 H LYS 17 -16.928 6.652 19.060 92 HA LYS 17 HA LYS 17 -14.561 5.331 18.260 93 1HB LYS 17 1HB LYS 17 -16.280 4.606 20.673 94 2HB LYS 17 2HB LYS 17 -14.574 4.230 20.414 95 1HG LYS 17 1HG LYS 17 -14.261 6.822 20.223 96 2HG LYS 17 2HG LYS 17 -15.857 6.914 20.984 97 1HD LYS 17 1HD LYS 17 -15.001 5.520 22.883 98 2HD LYS 17 2HD LYS 17 -13.410 5.463 22.094 99 1HE LYS 17 1HE LYS 17 -13.365 7.997 22.182 100 2HE LYS 17 2HE LYS 17 -14.840 7.938 23.156 101 1HZ LYS 17 1HZ LYS 17 -12.837 8.040 24.546 102 2HZ LYS 17 2HZ LYS 17 -13.595 6.614 24.800 103 3HZ LYS 17 3HZ LYS 17 -12.240 6.670 23.877 104 H ASP 18 H ASP 18 -17.802 3.963 18.643 105 HA ASP 18 HA ASP 18 -17.145 1.224 18.143 106 1HB ASP 18 1HB ASP 18 -19.722 2.771 17.643 107 2HB ASP 18 2HB ASP 18 -19.571 1.018 17.546 108 H ALA 19 H ALA 19 -18.041 3.850 15.854 109 HA ALA 19 HA ALA 19 -18.041 2.155 13.514 110 1HB ALA 19 1HB ALA 19 -17.687 5.173 13.770 111 2HB ALA 19 2HB ALA 19 -18.039 4.272 12.276 112 3HB ALA 19 3HB ALA 19 -19.237 4.311 13.589 113 H VAL 20 H VAL 20 -15.535 4.282 15.012 114 HA VAL 20 HA VAL 20 -13.516 3.800 13.010 115 HB VAL 20 HB VAL 20 -13.260 4.596 15.935 116 1HG1 VAL 20 1HG1 VAL 20 -11.137 3.612 15.366 117 2HG1 VAL 20 2HG1 VAL 20 -11.153 4.351 13.753 118 3HG1 VAL 20 3HG1 VAL 20 -10.925 5.356 15.200 119 1HG2 VAL 20 1HG2 VAL 20 -13.009 6.180 13.335 120 2HG2 VAL 20 2HG2 VAL 20 -14.360 6.277 14.488 121 3HG2 VAL 20 3HG2 VAL 20 -12.759 6.826 14.968 122 H ASN 21 H ASN 21 -14.244 2.060 16.107 123 HA ASN 21 HA ASN 21 -12.135 0.148 15.850 124 1HB ASN 21 1HB ASN 21 -13.284 0.530 17.953 125 2HB ASN 21 2HB ASN 21 -14.846 0.132 17.238 126 1HD2 ASN 21 1HD2 ASN 21 -15.546 -1.833 17.768 127 2HD2 ASN 21 2HD2 ASN 21 -14.525 -3.232 18.090 128 H SER 22 H SER 22 -15.573 0.028 14.729 129 HA SER 22 HA SER 22 -15.469 -2.582 13.582 130 1HB SER 22 1HB SER 22 -17.117 -0.185 12.679 131 2HB SER 22 2HB SER 22 -17.388 -1.875 12.223 132 HG SER 22 HG SER 22 -17.608 -0.677 14.792 133 H LEU 23 H LEU 23 -14.719 0.607 12.125 134 HA LEU 23 HA LEU 23 -14.121 -0.299 9.497 135 1HB LEU 23 1HB LEU 23 -14.588 2.048 10.258 136 2HB LEU 23 2HB LEU 23 -13.036 2.070 11.088 137 HG LEU 23 HG LEU 23 -11.879 1.824 8.880 138 1HD1 LEU 23 1HD1 LEU 23 -13.201 2.287 6.822 139 2HD1 LEU 23 2HD1 LEU 23 -13.697 0.762 7.565 140 3HD1 LEU 23 3HD1 LEU 23 -14.703 2.211 7.771 141 1HD2 LEU 23 1HD2 LEU 23 -13.859 4.122 9.176 142 2HD2 LEU 23 2HD2 LEU 23 -12.247 4.022 9.917 143 3HD2 LEU 23 3HD2 LEU 23 -12.399 4.152 8.155 144 H ILE 24 H ILE 24 -12.009 0.008 12.374 145 HA ILE 24 HA ILE 24 -9.578 -0.809 11.034 146 HB ILE 24 HB ILE 24 -10.400 -0.855 13.963 147 1HG1 ILE 24 1HG1 ILE 24 -8.372 0.965 12.584 148 2HG1 ILE 24 2HG1 ILE 24 -10.067 1.401 12.694 149 1HG2 ILE 24 1HG2 ILE 24 -8.653 -2.564 13.611 150 2HG2 ILE 24 2HG2 ILE 24 -7.677 -1.396 12.709 151 3HG2 ILE 24 3HG2 ILE 24 -7.967 -1.187 14.454 152 1HD1 ILE 24 1HD1 ILE 24 -9.939 1.190 15.200 153 2HD1 ILE 24 2HD1 ILE 24 -8.181 0.958 15.042 154 3HD1 ILE 24 3HD1 ILE 24 -8.927 2.471 14.515 155 H ARG 25 H ARG 25 -12.013 -2.645 12.967 156 HA ARG 25 HA ARG 25 -10.825 -5.241 12.734 157 1HB ARG 25 1HB ARG 25 -13.560 -4.152 13.353 158 2HB ARG 25 2HB ARG 25 -13.488 -5.811 12.803 159 1HG ARG 25 1HG ARG 25 -13.537 -5.762 15.173 160 2HG ARG 25 2HG ARG 25 -12.020 -6.461 14.632 161 1HD ARG 25 1HD ARG 25 -12.198 -3.537 15.428 162 2HD ARG 25 2HD ARG 25 -12.098 -4.798 16.651 163 HE ARG 25 HE ARG 25 -10.009 -5.392 14.950 164 1HH1 ARG 25 1HH1 ARG 25 -10.801 -2.607 16.978 165 2HH1 ARG 25 2HH1 ARG 25 -9.099 -2.212 17.195 166 1HH2 ARG 25 1HH2 ARG 25 -7.903 -4.890 15.440 167 2HH2 ARG 25 2HH2 ARG 25 -7.580 -3.544 16.518 168 H GLU 26 H GLU 26 -13.185 -3.668 10.566 169 HA GLU 26 HA GLU 26 -13.352 -5.909 8.736 170 1HB GLU 26 1HB GLU 26 -14.173 -2.985 8.546 171 2HB GLU 26 2HB GLU 26 -14.441 -4.147 7.243 172 1HG GLU 26 1HG GLU 26 -15.747 -5.598 8.752 173 2HG GLU 26 2HG GLU 26 -15.535 -4.454 10.071 174 H ASN 27 H ASN 27 -10.893 -3.524 9.087 175 HA ASN 27 HA ASN 27 -9.723 -4.282 6.441 176 1HB ASN 27 1HB ASN 27 -9.831 -1.513 7.673 177 2HB ASN 27 2HB ASN 27 -8.967 -1.927 6.200 178 1HD2 ASN 27 1HD2 ASN 27 -12.067 -1.219 7.572 179 2HD2 ASN 27 2HD2 ASN 27 -12.948 -1.235 6.035 180 H SER 28 H SER 28 -9.128 -5.508 8.960 181 HA SER 28 HA SER 28 -6.916 -4.534 10.345 182 1HB SER 28 1HB SER 28 -6.550 -6.861 11.047 183 2HB SER 28 2HB SER 28 -8.257 -6.389 11.115 184 HG SER 28 HG SER 28 -7.968 -8.455 10.140 185 H HIS 29 H HIS 29 -6.849 -5.714 7.102 186 HA HIS 29 HA HIS 29 -4.044 -6.494 7.000 187 1HB HIS 29 1HB HIS 29 -4.470 -6.691 4.608 188 2HB HIS 29 2HB HIS 29 -5.738 -7.484 5.530 189 HD2 HIS 29 HD2 HIS 29 -5.408 -5.430 2.578 190 HE1 HIS 29 HE1 HIS 29 -9.236 -4.276 4.062 191 HE2 HIS 29 HE2 HIS 29 -7.681 -4.207 2.049 192 H ILE 30 H ILE 30 -5.642 -3.443 6.965 193 HA ILE 30 HA ILE 30 -3.128 -2.064 6.115 194 HB ILE 30 HB ILE 30 -4.543 -0.357 4.955 195 1HG1 ILE 30 1HG1 ILE 30 -6.716 -2.493 5.037 196 2HG1 ILE 30 2HG1 ILE 30 -6.735 -0.986 5.948 197 1HG2 ILE 30 1HG2 ILE 30 -3.171 -2.071 3.788 198 2HG2 ILE 30 2HG2 ILE 30 -4.606 -3.108 3.677 199 3HG2 ILE 30 3HG2 ILE 30 -4.566 -1.537 2.851 200 1HD1 ILE 30 1HD1 ILE 30 -6.855 -1.252 2.920 201 2HD1 ILE 30 2HD1 ILE 30 -8.159 -0.771 4.015 202 3HD1 ILE 30 3HD1 ILE 30 -6.756 0.290 3.808 203 H PHE 31 H PHE 31 -5.878 -2.083 8.265 204 HA PHE 31 HA PHE 31 -4.919 0.451 9.561 205 1HB PHE 31 1HB PHE 31 -7.678 -0.827 9.575 206 2HB PHE 31 2HB PHE 31 -7.249 0.653 10.391 207 HD1 PHE 31 HD1 PHE 31 -9.613 0.488 8.788 208 HD2 PHE 31 HD2 PHE 31 -5.607 1.515 7.570 209 HE1 PHE 31 HE1 PHE 31 -10.511 1.606 6.764 210 HE2 PHE 31 HE2 PHE 31 -6.506 2.623 5.555 211 HZ PHE 31 HZ PHE 31 -8.958 2.627 5.121 212 H SER 32 H SER 32 -4.959 0.488 11.860 213 HA SER 32 HA SER 32 -5.556 -1.922 13.407 214 1HB SER 32 1HB SER 32 -3.349 -2.259 14.310 215 2HB SER 32 2HB SER 32 -3.260 -2.399 12.550 216 HG SER 32 HG SER 32 -2.555 -0.196 12.514 217 H ASP 33 H ASP 33 -5.018 -1.509 15.791 218 HA ASP 33 HA ASP 33 -6.212 0.977 16.568 219 1HB ASP 33 1HB ASP 33 -4.751 -1.086 18.252 220 2HB ASP 33 2HB ASP 33 -5.802 0.195 18.868 221 H THR 34 H THR 34 -2.965 0.365 15.722 222 HA THR 34 HA THR 34 -2.048 2.858 17.071 223 HB THR 34 HB THR 34 0.157 1.791 17.462 224 HG1 THR 34 HG1 THR 34 0.252 -0.464 17.361 225 1HG2 THR 34 1HG2 THR 34 -0.448 0.524 19.425 226 2HG2 THR 34 2HG2 THR 34 -1.548 1.904 19.276 227 3HG2 THR 34 3HG2 THR 34 -2.103 0.276 18.827 228 H GLN 35 H GLN 35 -2.489 1.557 14.020 229 HA GLN 35 HA GLN 35 -0.738 3.570 12.844 230 1HB GLN 35 1HB GLN 35 0.796 1.573 13.353 231 2HB GLN 35 2HB GLN 35 -0.199 0.615 12.267 232 1HG GLN 35 1HG GLN 35 0.449 2.260 10.407 233 2HG GLN 35 2HG GLN 35 1.553 3.005 11.565 234 1HE2 GLN 35 1HE2 GLN 35 3.657 2.120 11.545 235 2HE2 GLN 35 2HE2 GLN 35 4.018 0.531 10.890 236 H CYS 36 H CYS 36 -1.216 4.055 10.733 237 HA CYS 36 HA CYS 36 -3.319 2.449 9.285 238 1HB CYS 36 1HB CYS 36 -4.185 4.687 9.966 239 2HB CYS 36 2HB CYS 36 -2.804 5.448 9.168 240 H LYS 37 H LYS 37 -2.301 1.345 7.662 241 HA LYS 37 HA LYS 37 0.329 2.161 6.653 242 1HB LYS 37 1HB LYS 37 -1.541 -0.118 5.926 243 2HB LYS 37 2HB LYS 37 0.029 0.164 5.163 244 1HG LYS 37 1HG LYS 37 1.170 0.042 7.345 245 2HG LYS 37 2HG LYS 37 -0.382 -0.249 8.162 246 1HD LYS 37 1HD LYS 37 -0.683 -2.345 6.982 247 2HD LYS 37 2HD LYS 37 0.693 -1.999 5.928 248 1HE LYS 37 1HE LYS 37 1.287 -3.676 7.602 249 2HE LYS 37 2HE LYS 37 2.270 -2.219 7.760 250 1HZ LYS 37 1HZ LYS 37 1.439 -3.105 9.903 251 2HZ LYS 37 2HZ LYS 37 1.000 -1.559 9.663 252 3HZ LYS 37 3HZ LYS 37 -0.100 -2.776 9.466 253 H VAL 38 H VAL 38 -2.974 2.489 5.366 254 HA VAL 38 HA VAL 38 -2.226 3.171 2.666 255 HB VAL 38 HB VAL 38 -4.655 4.065 4.276 256 1HG1 VAL 38 1HG1 VAL 38 -4.410 5.597 2.386 257 2HG1 VAL 38 2HG1 VAL 38 -4.104 4.235 1.279 258 3HG1 VAL 38 3HG1 VAL 38 -5.696 4.454 2.029 259 1HG2 VAL 38 1HG2 VAL 38 -4.539 1.629 3.971 260 2HG2 VAL 38 2HG2 VAL 38 -5.811 2.305 2.952 261 3HG2 VAL 38 3HG2 VAL 38 -4.260 1.833 2.229 262 H CYS 39 H CYS 39 -2.459 5.136 5.618 263 HA CYS 39 HA CYS 39 -1.502 7.565 4.208 264 1HB CYS 39 1HB CYS 39 -2.616 7.093 6.984 265 2HB CYS 39 2HB CYS 39 -2.236 8.653 6.264 266 H SER 40 H SER 40 -0.047 4.962 5.394 267 HA SER 40 HA SER 40 1.729 4.368 6.659 268 1HB SER 40 1HB SER 40 3.053 6.536 4.973 269 2HB SER 40 2HB SER 40 3.804 5.059 5.599 270 HG SER 40 HG SER 40 2.133 3.928 4.275 271 H ALA 41 H ALA 41 0.471 5.595 8.429 272 HA ALA 41 HA ALA 41 2.440 7.289 9.921 273 1HB ALA 41 1HB ALA 41 0.819 8.786 8.826 274 2HB ALA 41 2HB ALA 41 -0.529 7.885 9.560 275 3HB ALA 41 3HB ALA 41 0.599 8.797 10.586 276 H VAL 42 H VAL 42 2.433 7.180 12.095 277 HA VAL 42 HA VAL 42 1.180 4.810 13.348 278 HB VAL 42 HB VAL 42 3.275 6.805 14.336 279 1HG1 VAL 42 1HG1 VAL 42 2.326 4.224 15.659 280 2HG1 VAL 42 2HG1 VAL 42 3.742 5.174 16.148 281 3HG1 VAL 42 3HG1 VAL 42 2.137 5.874 16.305 282 1HG2 VAL 42 1HG2 VAL 42 4.097 5.317 12.530 283 2HG2 VAL 42 2HG2 VAL 42 4.841 4.903 14.074 284 3HG2 VAL 42 3HG2 VAL 42 3.523 3.898 13.435 285 H LEU 43 H LEU 43 -0.069 4.907 15.169 286 HA LEU 43 HA LEU 43 -1.511 7.449 15.808 287 1HB LEU 43 1HB LEU 43 -2.664 4.641 15.571 288 2HB LEU 43 2HB LEU 43 -3.557 6.105 15.925 289 HG LEU 43 HG LEU 43 -2.091 5.572 13.293 290 1HD1 LEU 43 1HD1 LEU 43 -4.263 5.162 12.314 291 2HD1 LEU 43 2HD1 LEU 43 -3.957 4.003 13.613 292 3HD1 LEU 43 3HD1 LEU 43 -5.055 5.369 13.881 293 1HD2 LEU 43 1HD2 LEU 43 -3.418 7.448 12.444 294 2HD2 LEU 43 2HD2 LEU 43 -4.112 7.721 14.059 295 3HD2 LEU 43 3HD2 LEU 43 -2.382 7.983 13.766 296 H ILE 44 H ILE 44 0.130 7.643 17.414 297 HA ILE 44 HA ILE 44 0.937 5.841 19.324 298 HB ILE 44 HB ILE 44 1.665 7.753 20.675 299 1HG1 ILE 44 1HG1 ILE 44 0.186 9.508 18.665 300 2HG1 ILE 44 2HG1 ILE 44 -0.343 9.212 20.323 301 1HG2 ILE 44 1HG2 ILE 44 3.232 8.619 19.059 302 2HG2 ILE 44 2HG2 ILE 44 2.919 6.930 18.667 303 3HG2 ILE 44 3HG2 ILE 44 2.163 8.220 17.703 304 1HD1 ILE 44 1HD1 ILE 44 2.202 10.651 19.484 305 2HD1 ILE 44 2HD1 ILE 44 0.758 11.347 20.235 306 3HD1 ILE 44 3HD1 ILE 44 1.779 10.229 21.163 307 H SER 45 H SER 45 -2.225 7.259 19.424 308 HA SER 45 HA SER 45 -2.864 5.719 21.817 309 1HB SER 45 1HB SER 45 -1.981 8.053 22.592 310 2HB SER 45 2HB SER 45 -3.512 8.670 21.929 311 HG SER 45 HG SER 45 -3.596 8.088 24.194 312 H GLU 46 H GLU 46 -5.239 6.057 22.377 313 HA GLU 46 HA GLU 46 -6.886 5.439 20.139 314 1HB GLU 46 1HB GLU 46 -7.317 4.798 22.508 315 2HB GLU 46 2HB GLU 46 -7.718 6.481 22.881 316 1HG GLU 46 1HG GLU 46 -9.588 6.387 21.246 317 2HG GLU 46 2HG GLU 46 -9.172 4.717 20.856 318 H SER 47 H SER 47 -6.454 8.621 21.838 319 HA SER 47 HA SER 47 -8.468 10.011 20.397 320 1HB SER 47 1HB SER 47 -5.854 11.187 21.392 321 2HB SER 47 2HB SER 47 -7.375 12.042 21.061 322 HG SER 47 HG SER 47 -8.335 10.925 22.785 323 H GLN 48 H GLN 48 -5.004 9.513 19.532 324 HA GLN 48 HA GLN 48 -5.131 11.083 17.100 325 1HB GLN 48 1HB GLN 48 -3.218 8.918 18.082 326 2HB GLN 48 2HB GLN 48 -3.112 9.613 16.470 327 1HG GLN 48 1HG GLN 48 -1.573 10.822 17.816 328 2HG GLN 48 2HG GLN 48 -2.909 11.891 17.427 329 1HE2 GLN 48 1HE2 GLN 48 -2.487 13.292 19.259 330 2HE2 GLN 48 2HE2 GLN 48 -2.798 12.731 20.897 331 H LYS 49 H LYS 49 -5.645 7.595 17.808 332 HA LYS 49 HA LYS 49 -6.094 6.841 15.063 333 1HB LYS 49 1HB LYS 49 -6.077 4.817 15.967 334 2HB LYS 49 2HB LYS 49 -5.984 5.532 17.563 335 1HG LYS 49 1HG LYS 49 -8.457 5.463 17.751 336 2HG LYS 49 2HG LYS 49 -8.552 4.736 16.133 337 1HD LYS 49 1HD LYS 49 -7.275 2.795 16.907 338 2HD LYS 49 2HD LYS 49 -7.071 3.530 18.514 339 1HE LYS 49 1HE LYS 49 -9.576 3.603 18.727 340 2HE LYS 49 2HE LYS 49 -9.702 2.718 17.196 341 1HZ LYS 49 1HZ LYS 49 -9.833 1.253 19.164 342 2HZ LYS 49 2HZ LYS 49 -8.562 0.829 18.244 343 3HZ LYS 49 3HZ LYS 49 -8.334 1.679 19.629 344 H LEU 50 H LEU 50 -8.394 7.853 17.563 345 HA LEU 50 HA LEU 50 -10.755 7.687 15.963 346 1HB LEU 50 1HB LEU 50 -10.028 9.412 18.375 347 2HB LEU 50 2HB LEU 50 -11.639 9.384 17.661 348 HG LEU 50 HG LEU 50 -10.250 6.950 18.864 349 1HD1 LEU 50 1HD1 LEU 50 -11.875 7.185 20.661 350 2HD1 LEU 50 2HD1 LEU 50 -10.902 8.661 20.537 351 3HD1 LEU 50 3HD1 LEU 50 -12.564 8.635 19.893 352 1HD2 LEU 50 1HD2 LEU 50 -12.456 5.896 18.763 353 2HD2 LEU 50 2HD2 LEU 50 -13.081 7.280 17.824 354 3HD2 LEU 50 3HD2 LEU 50 -11.809 6.221 17.166 355 H ALA 51 H ALA 51 -8.509 10.473 16.417 356 HA ALA 51 HA ALA 51 -10.062 12.211 14.708 357 1HB ALA 51 1HB ALA 51 -8.468 13.029 16.422 358 2HB ALA 51 2HB ALA 51 -7.116 12.300 15.526 359 3HB ALA 51 3HB ALA 51 -8.040 13.640 14.812 360 H HIS 52 H HIS 52 -7.233 10.083 14.045 361 HA HIS 52 HA HIS 52 -6.860 10.921 11.349 362 1HB HIS 52 1HB HIS 52 -5.236 9.664 12.768 363 2HB HIS 52 2HB HIS 52 -6.227 8.213 12.590 364 HD1 HIS 52 HD1 HIS 52 -3.535 10.166 10.849 365 HD2 HIS 52 HD2 HIS 52 -6.463 7.289 9.904 366 HE1 HIS 52 HE1 HIS 52 -2.920 9.230 8.547 367 H TYR 53 H TYR 53 -8.702 8.044 12.605 368 HA TYR 53 HA TYR 53 -9.530 7.271 9.963 369 1HB TYR 53 1HB TYR 53 -10.486 6.484 12.727 370 2HB TYR 53 2HB TYR 53 -11.162 5.796 11.252 371 HD1 TYR 53 HD1 TYR 53 -8.769 5.116 13.724 372 HD2 TYR 53 HD2 TYR 53 -9.296 5.049 9.458 373 HE1 TYR 53 HE1 TYR 53 -6.813 3.585 13.504 374 HE2 TYR 53 HE2 TYR 53 -7.325 3.557 9.231 375 HH TYR 53 HH TYR 53 -5.611 2.542 10.295 376 H GLN 54 H GLN 54 -10.966 9.609 12.171 377 HA GLN 54 HA GLN 54 -13.468 9.743 10.587 378 1HB GLN 54 1HB GLN 54 -12.452 11.329 12.975 379 2HB GLN 54 2HB GLN 54 -14.006 11.607 12.183 380 1HG GLN 54 1HG GLN 54 -14.745 9.325 12.690 381 2HG GLN 54 2HG GLN 54 -13.201 8.959 13.458 382 1HE2 GLN 54 1HE2 GLN 54 -12.609 10.382 15.348 383 2HE2 GLN 54 2HE2 GLN 54 -13.933 10.905 16.408 384 H SER 55 H SER 55 -10.330 11.106 10.283 385 HA SER 55 HA SER 55 -10.979 13.718 9.315 386 1HB SER 55 1HB SER 55 -8.747 13.110 10.100 387 2HB SER 55 2HB SER 55 -8.555 11.970 8.750 388 HG SER 55 HG SER 55 -7.647 14.174 8.492 389 H ARG 56 H ARG 56 -11.294 14.571 7.344 390 HA ARG 56 HA ARG 56 -12.330 12.998 5.136 391 1HB ARG 56 1HB ARG 56 -11.396 15.899 5.276 392 2HB ARG 56 2HB ARG 56 -12.243 15.189 3.905 393 1HG ARG 56 1HG ARG 56 -13.401 15.405 6.719 394 2HG ARG 56 2HG ARG 56 -13.701 16.543 5.404 395 1HD ARG 56 1HD ARG 56 -14.712 14.710 4.048 396 2HD ARG 56 2HD ARG 56 -14.432 13.590 5.372 397 HE ARG 56 HE ARG 56 -16.113 14.589 6.667 398 1HH1 ARG 56 1HH1 ARG 56 -15.872 16.326 3.628 399 2HH1 ARG 56 2HH1 ARG 56 -17.417 17.098 3.851 400 1HH2 ARG 56 1HH2 ARG 56 -18.066 15.609 6.878 401 2HH2 ARG 56 2HH2 ARG 56 -18.617 16.700 5.643 402 H LYS 57 H LYS 57 -9.115 14.232 5.892 403 HA LYS 57 HA LYS 57 -7.914 13.824 3.305 404 1HB LYS 57 1HB LYS 57 -6.934 15.208 5.148 405 2HB LYS 57 2HB LYS 57 -6.680 13.754 6.098 406 1HG LYS 57 1HG LYS 57 -4.592 14.433 5.103 407 2HG LYS 57 2HG LYS 57 -5.081 12.886 4.437 408 1HD LYS 57 1HD LYS 57 -4.133 14.287 2.703 409 2HD LYS 57 2HD LYS 57 -5.842 14.017 2.350 410 1HE LYS 57 1HE LYS 57 -6.398 16.256 3.265 411 2HE LYS 57 2HE LYS 57 -4.710 16.499 3.730 412 1HZ LYS 57 1HZ LYS 57 -5.207 17.593 1.625 413 2HZ LYS 57 2HZ LYS 57 -4.112 16.414 1.369 414 3HZ LYS 57 3HZ LYS 57 -5.672 16.192 0.933 415 H HIS 58 H HIS 58 -8.184 11.700 6.160 416 HA HIS 58 HA HIS 58 -6.801 9.417 5.064 417 1HB HIS 58 1HB HIS 58 -7.155 9.547 7.433 418 2HB HIS 58 2HB HIS 58 -8.895 9.760 7.240 419 HD2 HIS 58 HD2 HIS 58 -10.407 7.618 6.755 420 HE1 HIS 58 HE1 HIS 58 -7.359 4.667 7.140 421 HE2 HIS 58 HE2 HIS 58 -9.868 5.044 6.919 422 H ALA 59 H ALA 59 -10.318 10.226 5.188 423 HA ALA 59 HA ALA 59 -11.219 7.930 3.806 424 1HB ALA 59 1HB ALA 59 -12.644 9.453 5.086 425 2HB ALA 59 2HB ALA 59 -12.411 10.734 3.869 426 3HB ALA 59 3HB ALA 59 -13.268 9.235 3.439 427 H ASN 60 H ASN 60 -10.229 11.124 2.428 428 HA ASN 60 HA ASN 60 -10.802 10.398 -0.286 429 1HB ASN 60 1HB ASN 60 -10.497 12.737 0.545 430 2HB ASN 60 2HB ASN 60 -8.775 12.418 0.775 431 1HD2 ASN 60 1HD2 ASN 60 -7.635 13.369 -0.915 432 2HD2 ASN 60 2HD2 ASN 60 -8.183 13.356 -2.585 433 H LYS 61 H LYS 61 -7.738 10.090 1.646 434 HA LYS 61 HA LYS 61 -6.198 9.051 -0.525 435 1HB LYS 61 1HB LYS 61 -5.489 9.976 1.846 436 2HB LYS 61 2HB LYS 61 -5.657 8.285 2.361 437 1HG LYS 61 1HG LYS 61 -4.115 7.644 0.475 438 2HG LYS 61 2HG LYS 61 -3.989 9.366 0.049 439 1HD LYS 61 1HD LYS 61 -3.108 9.789 2.393 440 2HD LYS 61 2HD LYS 61 -3.040 8.039 2.619 441 1HE LYS 61 1HE LYS 61 -1.575 9.627 0.457 442 2HE LYS 61 2HE LYS 61 -0.854 9.080 1.972 443 1HZ LYS 61 1HZ LYS 61 -1.312 6.775 1.274 444 2HZ LYS 61 2HZ LYS 61 -1.890 7.300 -0.169 445 3HZ LYS 61 3HZ LYS 61 -0.322 7.535 0.215 446 H VAL 62 H VAL 62 -8.204 7.393 1.932 447 HA VAL 62 HA VAL 62 -7.646 4.704 1.032 448 HB VAL 62 HB VAL 62 -9.990 5.895 2.550 449 1HG1 VAL 62 1HG1 VAL 62 -10.566 3.548 3.170 450 2HG1 VAL 62 2HG1 VAL 62 -10.839 3.864 1.459 451 3HG1 VAL 62 3HG1 VAL 62 -9.397 2.955 1.968 452 1HG2 VAL 62 1HG2 VAL 62 -7.723 5.815 3.683 453 2HG2 VAL 62 2HG2 VAL 62 -8.951 4.815 4.456 454 3HG2 VAL 62 3HG2 VAL 62 -7.710 4.061 3.433 455 H ARG 63 H ARG 63 -10.181 7.065 0.044 456 HA ARG 63 HA ARG 63 -11.525 5.388 -1.850 457 1HB ARG 63 1HB ARG 63 -12.401 7.499 -1.013 458 2HB ARG 63 2HB ARG 63 -11.110 8.400 -1.813 459 1HG ARG 63 1HG ARG 63 -11.953 7.767 -4.022 460 2HG ARG 63 2HG ARG 63 -13.124 6.657 -3.287 461 1HD ARG 63 1HD ARG 63 -14.270 8.666 -3.926 462 2HD ARG 63 2HD ARG 63 -14.218 8.559 -2.156 463 HE ARG 63 HE ARG 63 -11.991 10.119 -2.949 464 1HH1 ARG 63 1HH1 ARG 63 -15.473 10.463 -3.154 465 2HH1 ARG 63 2HH1 ARG 63 -15.392 12.202 -3.087 466 1HH2 ARG 63 1HH2 ARG 63 -11.961 12.318 -2.773 467 2HH2 ARG 63 2HH2 ARG 63 -13.449 13.224 -2.911 468 H ARG 64 H ARG 64 -8.672 7.498 -2.262 469 HA ARG 64 HA ARG 64 -8.261 6.969 -5.067 470 1HB ARG 64 1HB ARG 64 -7.276 8.797 -3.376 471 2HB ARG 64 2HB ARG 64 -5.967 7.640 -3.202 472 1HG ARG 64 1HG ARG 64 -6.942 8.973 -5.771 473 2HG ARG 64 2HG ARG 64 -5.487 9.376 -4.862 474 1HD ARG 64 1HD ARG 64 -4.617 7.041 -5.360 475 2HD ARG 64 2HD ARG 64 -6.023 6.812 -6.402 476 HE ARG 64 HE ARG 64 -5.188 8.300 -7.981 477 1HH1 ARG 64 1HH1 ARG 64 -2.979 8.297 -5.254 478 2HH1 ARG 64 2HH1 ARG 64 -1.725 9.093 -6.164 479 1HH2 ARG 64 1HH2 ARG 64 -3.549 9.311 -9.068 480 2HH2 ARG 64 2HH2 ARG 64 -2.048 9.652 -8.261 481 H TYR 65 H TYR 65 -6.837 5.467 -2.142 482 HA TYR 65 HA TYR 65 -5.190 3.548 -3.462 483 1HB TYR 65 1HB TYR 65 -4.925 4.164 -1.127 484 2HB TYR 65 2HB TYR 65 -6.533 3.584 -0.733 485 HD1 TYR 65 HD1 TYR 65 -6.878 1.362 -0.020 486 HD2 TYR 65 HD2 TYR 65 -3.184 2.433 -1.975 487 HE1 TYR 65 HE1 TYR 65 -5.948 -0.887 0.510 488 HE2 TYR 65 HE2 TYR 65 -2.253 0.182 -1.437 489 HH TYR 65 HH TYR 65 -4.150 -2.302 0.314 490 H MET 66 H MET 66 -8.599 3.265 -2.337 491 HA MET 66 HA MET 66 -8.996 0.541 -3.073 492 1HB MET 66 1HB MET 66 -10.879 2.899 -2.712 493 2HB MET 66 2HB MET 66 -11.471 1.303 -3.188 494 1HG MET 66 1HG MET 66 -9.754 1.774 -0.729 495 2HG MET 66 2HG MET 66 -11.515 1.756 -0.701 496 1HE MET 66 1HE MET 66 -9.999 -0.006 1.260 497 2HE MET 66 2HE MET 66 -9.496 -1.630 0.736 498 3HE MET 66 3HE MET 66 -8.583 -0.204 0.196 499 H ALA 67 H ALA 67 -9.228 3.523 -5.047 500 HA ALA 67 HA ALA 67 -10.342 2.245 -7.374 501 1HB ALA 67 1HB ALA 67 -9.779 4.346 -8.484 502 2HB ALA 67 2HB ALA 67 -10.472 4.679 -6.887 503 3HB ALA 67 3HB ALA 67 -8.718 4.814 -7.143 504 H ILE 68 H ILE 68 -7.319 1.754 -6.010 505 HA ILE 68 HA ILE 68 -6.016 0.978 -8.585 506 HB ILE 68 HB ILE 68 -4.754 1.974 -5.998 507 1HG1 ILE 68 1HG1 ILE 68 -4.913 3.297 -8.749 508 2HG1 ILE 68 2HG1 ILE 68 -5.909 3.741 -7.371 509 1HG2 ILE 68 1HG2 ILE 68 -3.174 0.428 -7.012 510 2HG2 ILE 68 2HG2 ILE 68 -3.433 1.145 -8.622 511 3HG2 ILE 68 3HG2 ILE 68 -2.606 2.032 -7.326 512 1HD1 ILE 68 1HD1 ILE 68 -2.922 4.159 -7.591 513 2HD1 ILE 68 2HD1 ILE 68 -4.207 5.357 -7.528 514 3HD1 ILE 68 3HD1 ILE 68 -3.863 4.374 -6.091 515 H ASN 69 H ASN 69 -7.770 -0.406 -6.221 516 HA ASN 69 HA ASN 69 -6.158 -2.559 -5.283 517 1HB ASN 69 1HB ASN 69 -8.136 -3.403 -4.324 518 2HB ASN 69 2HB ASN 69 -8.263 -1.657 -4.233 519 1HD2 ASN 69 1HD2 ASN 69 -10.550 -2.908 -3.823 520 2HD2 ASN 69 2HD2 ASN 69 -11.581 -2.868 -5.246 521 H GLN 70 H GLN 70 -6.797 -2.215 -8.455 522 HA GLN 70 HA GLN 70 -7.854 -4.643 -9.403 523 1HB GLN 70 1HB GLN 70 -7.486 -2.537 -10.672 524 2HB GLN 70 2HB GLN 70 -5.744 -2.841 -10.665 525 1HG GLN 70 1HG GLN 70 -6.075 -4.877 -12.022 526 2HG GLN 70 2HG GLN 70 -7.829 -4.691 -11.908 527 1HE2 GLN 70 1HE2 GLN 70 -7.492 -4.860 -14.373 528 2HE2 GLN 70 2HE2 GLN 70 -7.211 -3.337 -15.208 529 H GLY 71 H GLY 71 -6.915 -6.540 -10.250 530 1HA GLY 71 1HA GLY 71 -4.090 -7.226 -9.806 531 2HA GLY 71 2HA GLY 71 -5.240 -8.063 -8.764 532 H GLU 72 H GLU 72 -4.489 -10.025 -9.747 533 HA GLU 72 HA GLU 72 -4.511 -10.717 -12.444 534 1HB GLU 72 1HB GLU 72 -3.399 -11.904 -10.567 535 2HB GLU 72 2HB GLU 72 -4.967 -12.440 -9.973 536 1HG GLU 72 1HG GLU 72 -3.808 -14.230 -11.134 537 2HG GLU 72 2HG GLU 72 -5.287 -13.826 -11.979 538 H ASP 73 H ASP 73 -5.810 -12.059 -13.615 539 HA ASP 73 HA ASP 73 -8.634 -11.417 -13.679 540 1HB ASP 73 1HB ASP 73 -7.123 -11.574 -15.660 541 2HB ASP 73 2HB ASP 73 -7.012 -13.317 -15.416 542 H SER 74 H SER 74 -8.417 -12.637 -11.308 543 HA SER 74 HA SER 74 -10.149 -15.019 -11.554 544 1HB SER 74 1HB SER 74 -7.808 -15.900 -11.460 545 2HB SER 74 2HB SER 74 -7.584 -15.067 -9.909 546 HG SER 74 HG SER 74 -8.224 -17.286 -9.680 547 H VAL 75 H VAL 75 -11.526 -15.269 -9.793 548 HA VAL 75 HA VAL 75 -11.238 -13.624 -7.384 549 HB VAL 75 HB VAL 75 -12.231 -12.097 -9.056 550 1HG1 VAL 75 1HG1 VAL 75 -14.488 -12.304 -9.863 551 2HG1 VAL 75 2HG1 VAL 75 -13.563 -13.714 -10.391 552 3HG1 VAL 75 3HG1 VAL 75 -14.711 -13.857 -9.041 553 1HG2 VAL 75 1HG2 VAL 75 -14.127 -12.753 -6.779 554 2HG2 VAL 75 2HG2 VAL 75 -12.685 -11.708 -6.708 555 3HG2 VAL 75 3HG2 VAL 75 -14.065 -11.244 -7.707 556 HA PRO 76 HA PRO 76 -13.309 -17.340 -5.953 557 1HB PRO 76 1HB PRO 76 -13.523 -16.851 -3.289 558 2HB PRO 76 2HB PRO 76 -11.937 -17.015 -4.096 559 1HG PRO 76 1HG PRO 76 -13.430 -14.444 -3.464 560 2HG PRO 76 2HG PRO 76 -11.737 -14.866 -3.044 561 1HD PRO 76 1HD PRO 76 -12.356 -13.421 -5.263 562 2HD PRO 76 2HD PRO 76 -11.018 -14.602 -5.266 563 H ALA 77 H ALA 77 -14.987 -14.621 -6.593 564 HA ALA 77 HA ALA 77 -17.386 -14.831 -5.045 565 1HB ALA 77 1HB ALA 77 -16.796 -13.370 -7.656 566 2HB ALA 77 2HB ALA 77 -18.157 -13.057 -6.559 567 3HB ALA 77 3HB ALA 77 -16.506 -12.740 -6.016 568 H LYS 78 H LYS 78 -16.990 -17.407 -6.037 569 HA LYS 78 HA LYS 78 -19.448 -17.877 -7.671 570 1HB LYS 78 1HB LYS 78 -16.713 -19.124 -8.193 571 2HB LYS 78 2HB LYS 78 -18.235 -19.696 -8.885 572 1HG LYS 78 1HG LYS 78 -18.578 -17.451 -9.952 573 2HG LYS 78 2HG LYS 78 -17.011 -16.936 -9.314 574 1HD LYS 78 1HD LYS 78 -16.703 -17.541 -11.594 575 2HD LYS 78 2HD LYS 78 -15.902 -18.764 -10.593 576 1HE LYS 78 1HE LYS 78 -17.834 -20.292 -10.912 577 2HE LYS 78 2HE LYS 78 -18.674 -19.049 -11.849 578 1HZ LYS 78 1HZ LYS 78 -17.558 -20.651 -13.294 579 2HZ LYS 78 2HZ LYS 78 -16.885 -19.181 -13.499 580 3HZ LYS 78 3HZ LYS 78 -16.104 -20.324 -12.631 581 H LYS 79 H LYS 79 -20.344 -19.982 -7.421 582 HA LYS 79 HA LYS 79 -19.456 -21.714 -5.191 583 1HB LYS 79 1HB LYS 79 -20.851 -19.847 -4.219 584 2HB LYS 79 2HB LYS 79 -22.208 -20.386 -5.212 585 1HG LYS 79 1HG LYS 79 -22.315 -22.503 -3.991 586 2HG LYS 79 2HG LYS 79 -20.781 -22.160 -3.179 587 1HD LYS 79 1HD LYS 79 -22.608 -21.801 -1.643 588 2HD LYS 79 2HD LYS 79 -21.830 -20.252 -1.994 589 1HE LYS 79 1HE LYS 79 -23.641 -19.712 -3.615 590 2HE LYS 79 2HE LYS 79 -24.397 -21.280 -3.299 591 1HZ LYS 79 1HZ LYS 79 -24.019 -19.132 -1.277 592 2HZ LYS 79 2HZ LYS 79 -25.433 -19.516 -1.991 593 3HZ LYS 79 3HZ LYS 79 -24.719 -20.580 -0.984 594 H PHE 80 H PHE 80 -20.612 -23.729 -5.099 595 HA PHE 80 HA PHE 80 -22.269 -24.541 -7.410 596 1HB PHE 80 1HB PHE 80 -20.806 -26.461 -7.887 597 2HB PHE 80 2HB PHE 80 -20.016 -24.932 -8.197 598 HD1 PHE 80 HD1 PHE 80 -20.011 -27.964 -6.108 599 HD2 PHE 80 HD2 PHE 80 -18.139 -24.138 -6.777 600 HE1 PHE 80 HE1 PHE 80 -18.108 -28.643 -4.668 601 HE2 PHE 80 HE2 PHE 80 -16.234 -24.822 -5.339 602 HZ PHE 80 HZ PHE 80 -16.216 -27.073 -4.278 603 H LYS 81 H LYS 81 -23.109 -26.782 -7.129 604 HA LYS 81 HA LYS 81 -24.501 -27.034 -4.663 605 1HB LYS 81 1HB LYS 81 -24.072 -29.049 -6.912 606 2HB LYS 81 2HB LYS 81 -25.210 -29.263 -5.576 607 1HG LYS 81 1HG LYS 81 -26.410 -27.193 -6.246 608 2HG LYS 81 2HG LYS 81 -25.307 -27.002 -7.623 609 1HD LYS 81 1HD LYS 81 -26.040 -29.199 -8.519 610 2HD LYS 81 2HD LYS 81 -27.151 -29.387 -7.144 611 1HE LYS 81 1HE LYS 81 -28.336 -27.309 -7.823 612 2HE LYS 81 2HE LYS 81 -27.232 -27.122 -9.190 613 1HZ LYS 81 1HZ LYS 81 -29.304 -28.195 -9.866 614 2HZ LYS 81 2HZ LYS 81 -28.067 -29.240 -10.068 615 3HZ LYS 81 3HZ LYS 81 -29.088 -29.413 -8.803 616 H ALA 82 H ALA 82 -24.292 -28.195 -2.876 617 HA ALA 82 HA ALA 82 -22.337 -30.347 -2.525 618 1HB ALA 82 1HB ALA 82 -20.963 -28.309 -2.145 619 2HB ALA 82 2HB ALA 82 -22.140 -27.737 -0.940 620 3HB ALA 82 3HB ALA 82 -21.192 -29.210 -0.638 621 H ALA 83 H ALA 83 -22.534 -31.305 -0.296 622 HA ALA 83 HA ALA 83 -24.994 -30.721 1.206 623 1HB ALA 83 1HB ALA 83 -25.774 -32.232 -0.586 624 2HB ALA 83 2HB ALA 83 -24.501 -33.403 -0.176 625 3HB ALA 83 3HB ALA 83 -25.809 -33.068 0.975 626 HA PRO 84 HA PRO 84 -22.319 -32.132 4.507 627 1HB PRO 84 1HB PRO 84 -24.072 -32.506 6.552 628 2HB PRO 84 2HB PRO 84 -23.776 -30.892 5.843 629 1HG PRO 84 1HG PRO 84 -26.032 -32.818 5.192 630 2HG PRO 84 2HG PRO 84 -26.154 -31.079 5.614 631 1HD PRO 84 1HD PRO 84 -26.134 -31.957 3.027 632 2HD PRO 84 2HD PRO 84 -25.365 -30.414 3.503 633 H ALA 85 H ALA 85 -22.012 -33.946 6.089 634 HA ALA 85 HA ALA 85 -23.313 -36.523 5.506 635 1HB ALA 85 1HB ALA 85 -21.479 -36.399 3.842 636 2HB ALA 85 2HB ALA 85 -20.312 -36.073 5.143 637 3HB ALA 85 3HB ALA 85 -21.145 -37.640 5.064 638 H GLU 86 H GLU 86 -22.898 -38.121 7.109 639 HA GLU 86 HA GLU 86 -21.514 -37.286 9.613 640 1HB GLU 86 1HB GLU 86 -24.075 -36.685 9.463 641 2HB GLU 86 2HB GLU 86 -24.331 -38.409 9.670 642 1HG GLU 86 1HG GLU 86 -24.571 -37.322 11.788 643 2HG GLU 86 2HG GLU 86 -23.103 -38.269 11.875 644 H ILE 87 H ILE 87 -21.578 -39.580 7.336 645 HA ILE 87 HA ILE 87 -21.690 -41.991 8.996 646 HB ILE 87 HB ILE 87 -20.848 -41.896 6.091 647 1HG1 ILE 87 1HG1 ILE 87 -22.927 -40.667 6.069 648 2HG1 ILE 87 2HG1 ILE 87 -23.187 -42.268 5.428 649 1HG2 ILE 87 1HG2 ILE 87 -20.587 -44.100 7.120 650 2HG2 ILE 87 2HG2 ILE 87 -22.201 -44.006 7.836 651 3HG2 ILE 87 3HG2 ILE 87 -21.997 -44.151 6.076 652 1HD1 ILE 87 1HD1 ILE 87 -25.060 -41.573 6.844 653 2HD1 ILE 87 2HD1 ILE 87 -24.259 -42.978 7.564 654 3HD1 ILE 87 3HD1 ILE 87 -23.987 -41.356 8.234 655 H SER 88 H SER 88 -19.731 -40.122 9.831 656 HA SER 88 HA SER 88 -17.076 -40.593 9.021 657 1HB SER 88 1HB SER 88 -18.071 -39.882 11.804 658 2HB SER 88 2HB SER 88 -16.442 -39.601 11.155 659 HG SER 88 HG SER 88 -17.766 -37.724 11.017 660 H ASP 89 H ASP 89 -19.113 -42.677 10.918 661 HA ASP 89 HA ASP 89 -17.138 -44.205 12.332 662 1HB ASP 89 1HB ASP 89 -19.550 -44.144 12.866 663 2HB ASP 89 2HB ASP 89 -19.924 -44.911 11.323 664 H GLY 90 H GLY 90 -18.224 -44.290 8.978 665 1HA GLY 90 1HA GLY 90 -17.424 -45.370 7.138 666 2HA GLY 90 2HA GLY 90 -16.050 -45.912 8.097 667 H GLU 91 H GLU 91 -18.902 -47.095 9.531 668 HA GLU 91 HA GLU 91 -19.010 -49.557 7.879 669 1HB GLU 91 1HB GLU 91 -17.287 -49.586 9.882 670 2HB GLU 91 2HB GLU 91 -18.726 -49.844 10.869 671 1HG GLU 91 1HG GLU 91 -19.265 -51.860 9.453 672 2HG GLU 91 2HG GLU 91 -17.834 -51.531 8.481 673 H ASP 92 H ASP 92 -20.893 -47.243 8.530 674 HA ASP 92 HA ASP 92 -23.037 -48.212 10.154 675 1HB ASP 92 1HB ASP 92 -22.598 -45.832 9.472 676 2HB ASP 92 2HB ASP 92 -23.230 -46.215 7.869 677 H ARG 93 H ARG 93 -24.191 -49.974 9.792 678 HA ARG 93 HA ARG 93 -24.327 -51.514 7.440 679 1HB ARG 93 1HB ARG 93 -26.389 -51.414 9.680 680 2HB ARG 93 2HB ARG 93 -26.135 -52.739 8.556 681 1HG ARG 93 1HG ARG 93 -24.262 -51.799 10.763 682 2HG ARG 93 2HG ARG 93 -25.150 -53.311 10.685 683 1HD ARG 93 1HD ARG 93 -22.847 -52.506 8.850 684 2HD ARG 93 2HD ARG 93 -22.753 -53.591 10.236 685 HE ARG 93 HE ARG 93 -24.596 -54.209 7.955 686 1HH1 ARG 93 1HH1 ARG 93 -21.742 -55.198 9.742 687 2HH1 ARG 93 2HH1 ARG 93 -21.764 -56.799 9.060 688 1HH2 ARG 93 1HH2 ARG 93 -24.601 -56.256 7.187 689 2HH2 ARG 93 2HH2 ARG 93 -23.355 -57.382 7.648 690 H SER 94 H SER 94 -26.422 -48.788 8.273 691 HA SER 94 HA SER 94 -28.412 -49.409 6.222 692 1HB SER 94 1HB SER 94 -27.842 -46.862 7.791 693 2HB SER 94 2HB SER 94 -29.224 -47.114 6.719 694 HG SER 94 HG SER 94 -29.621 -47.570 9.004 695 H LYS 95 H LYS 95 -25.254 -48.273 5.963 696 HA LYS 95 HA LYS 95 -25.766 -47.013 3.284 697 1HB LYS 95 1HB LYS 95 -23.845 -46.150 5.482 698 2HB LYS 95 2HB LYS 95 -23.779 -45.543 3.837 699 1HG LYS 95 1HG LYS 95 -26.173 -45.207 5.705 700 2HG LYS 95 2HG LYS 95 -24.907 -44.016 5.428 701 1HD LYS 95 1HD LYS 95 -25.505 -43.943 3.002 702 2HD LYS 95 2HD LYS 95 -26.869 -45.038 3.329 703 1HE LYS 95 1HE LYS 95 -27.864 -43.433 4.874 704 2HE LYS 95 2HE LYS 95 -26.454 -42.375 4.749 705 1HZ LYS 95 1HZ LYS 95 -28.267 -41.597 3.335 706 2HZ LYS 95 2HZ LYS 95 -26.993 -42.014 2.407 707 3HZ LYS 95 3HZ LYS 95 -28.298 -42.995 2.492 708 H CYS 96 H CYS 96 -23.885 -49.364 5.051 709 HA CYS 96 HA CYS 96 -22.624 -50.140 2.513 710 1HB CYS 96 1HB CYS 96 -20.352 -50.053 3.333 711 2HB CYS 96 2HB CYS 96 -21.083 -48.458 3.533 712 HG CYS 96 HG CYS 96 -21.873 -48.956 6.079 713 H CYS 97 H CYS 97 -21.365 -52.068 2.586 714 HA CYS 97 HA CYS 97 -22.140 -54.096 4.629 715 1HB CYS 97 1HB CYS 97 -23.788 -54.270 2.905 716 2HB CYS 97 2HB CYS 97 -22.566 -54.234 1.633 717 HA PRO 98 HA PRO 98 -17.641 -54.275 3.554 718 1HB PRO 98 1HB PRO 98 -16.684 -55.131 5.990 719 2HB PRO 98 2HB PRO 98 -17.080 -53.424 5.627 720 1HG PRO 98 1HG PRO 98 -18.821 -55.482 7.021 721 2HG PRO 98 2HG PRO 98 -18.456 -53.807 7.544 722 1HD PRO 98 1HD PRO 98 -20.742 -54.429 6.221 723 2HD PRO 98 2HD PRO 98 -19.892 -52.886 5.905 724 H VAL 99 H VAL 99 -19.867 -56.708 4.712 725 HA VAL 99 HA VAL 99 -18.216 -59.042 4.419 726 HB VAL 99 HB VAL 99 -21.215 -59.028 3.970 727 1HG1 VAL 99 1HG1 VAL 99 -20.085 -61.201 3.669 728 2HG1 VAL 99 2HG1 VAL 99 -19.279 -61.023 5.244 729 3HG1 VAL 99 3HG1 VAL 99 -21.041 -61.227 5.145 730 1HG2 VAL 99 1HG2 VAL 99 -19.775 -58.912 6.654 731 2HG2 VAL 99 2HG2 VAL 99 -20.943 -57.724 6.020 732 3HG2 VAL 99 3HG2 VAL 99 -21.482 -59.350 6.433 733 H CYS 100 H CYS 100 -19.752 -56.975 2.109 734 HA CYS 100 HA CYS 100 -18.985 -58.765 -0.173 735 1HB CYS 100 1HB CYS 100 -21.366 -56.893 0.116 736 2HB CYS 100 2HB CYS 100 -20.914 -57.766 -1.333 737 H ASN 101 H ASN 101 -18.529 -55.831 1.327 738 HA ASN 101 HA ASN 101 -17.558 -53.875 0.981 739 1HB ASN 101 1HB ASN 101 -16.055 -55.359 -1.213 740 2HB ASN 101 2HB ASN 101 -15.607 -53.778 -0.578 741 1HD2 ASN 101 1HD2 ASN 101 -14.834 -53.619 1.647 742 2HD2 ASN 101 2HD2 ASN 101 -14.248 -55.069 2.446 743 H MET 102 H MET 102 -19.900 -53.572 0.337 744 HA MET 102 HA MET 102 -19.970 -51.827 -2.091 745 1HB MET 102 1HB MET 102 -22.090 -53.890 -1.353 746 2HB MET 102 2HB MET 102 -22.272 -52.637 -2.589 747 1HG MET 102 1HG MET 102 -20.175 -53.580 -3.692 748 2HG MET 102 2HG MET 102 -20.348 -54.973 -2.627 749 1HE MET 102 1HE MET 102 -23.770 -56.512 -3.845 750 2HE MET 102 2HE MET 102 -22.417 -56.655 -2.702 751 3HE MET 102 3HE MET 102 -23.593 -55.329 -2.532 752 H THR 103 H THR 103 -22.011 -50.443 -2.101 753 HA THR 103 HA THR 103 -22.694 -49.461 0.627 754 HB THR 103 HB THR 103 -22.634 -47.152 -0.290 755 HG1 THR 103 HG1 THR 103 -21.458 -46.840 -2.198 756 1HG2 THR 103 1HG2 THR 103 -19.958 -48.606 -0.464 757 2HG2 THR 103 2HG2 THR 103 -20.221 -46.873 -0.163 758 3HG2 THR 103 3HG2 THR 103 -20.741 -48.066 1.039 759 H PHE 104 H PHE 104 -24.555 -48.133 0.802 760 HA PHE 104 HA PHE 104 -26.740 -48.694 -1.157 761 1HB PHE 104 1HB PHE 104 -27.125 -48.726 1.846 762 2HB PHE 104 2HB PHE 104 -28.219 -49.269 0.602 763 HD1 PHE 104 HD1 PHE 104 -26.171 -50.410 3.137 764 HD2 PHE 104 HD2 PHE 104 -27.048 -51.204 -1.014 765 HE1 PHE 104 HE1 PHE 104 -25.433 -52.748 3.430 766 HE2 PHE 104 HE2 PHE 104 -26.260 -53.540 -0.728 767 HZ PHE 104 HZ PHE 104 -25.473 -54.318 1.491 768 H SER 105 H SER 105 -28.367 -47.125 -1.329 769 HA SER 105 HA SER 105 -27.649 -44.406 -0.555 770 1HB SER 105 1HB SER 105 -29.790 -43.864 -1.760 771 2HB SER 105 2HB SER 105 -28.585 -44.739 -2.719 772 HG SER 105 HG SER 105 -30.704 -45.615 -2.953 773 H SER 106 H SER 106 -30.045 -46.796 0.575 774 HA SER 106 HA SER 106 -30.725 -45.044 2.882 775 1HB SER 106 1HB SER 106 -32.746 -46.332 0.995 776 2HB SER 106 2HB SER 106 -33.162 -45.526 2.509 777 HG SER 106 HG SER 106 -32.275 -43.583 1.635 778 HA PRO 107 HA PRO 107 -30.647 -48.632 5.441 779 1HB PRO 107 1HB PRO 107 -33.444 -47.986 6.364 780 2HB PRO 107 2HB PRO 107 -31.991 -48.347 7.338 781 1HG PRO 107 1HG PRO 107 -32.898 -45.797 7.008 782 2HG PRO 107 2HG PRO 107 -31.148 -46.148 7.026 783 1HD PRO 107 1HD PRO 107 -32.941 -45.604 4.683 784 2HD PRO 107 2HD PRO 107 -31.240 -45.124 4.953 785 H VAL 108 H VAL 108 -33.810 -48.296 3.762 786 HA VAL 108 HA VAL 108 -34.611 -51.027 3.987 787 HB VAL 108 HB VAL 108 -35.348 -49.068 1.776 788 1HG1 VAL 108 1HG1 VAL 108 -37.452 -50.408 1.677 789 2HG1 VAL 108 2HG1 VAL 108 -36.042 -51.370 1.237 790 3HG1 VAL 108 3HG1 VAL 108 -36.761 -51.552 2.852 791 1HG2 VAL 108 1HG2 VAL 108 -36.660 -49.566 4.487 792 2HG2 VAL 108 2HG2 VAL 108 -35.867 -48.062 3.966 793 3HG2 VAL 108 3HG2 VAL 108 -37.353 -48.586 3.178 794 H VAL 109 H VAL 109 -32.552 -49.408 1.575 795 HA VAL 109 HA VAL 109 -32.398 -51.594 -0.290 796 HB VAL 109 HB VAL 109 -30.363 -49.389 0.217 797 1HG1 VAL 109 1HG1 VAL 109 -30.851 -51.130 -2.237 798 2HG1 VAL 109 2HG1 VAL 109 -29.706 -49.774 -2.132 799 3HG1 VAL 109 3HG1 VAL 109 -29.442 -51.226 -1.161 800 1HG2 VAL 109 1HG2 VAL 109 -32.550 -48.396 -0.312 801 2HG2 VAL 109 2HG2 VAL 109 -31.474 -48.248 -1.699 802 3HG2 VAL 109 3HG2 VAL 109 -32.738 -49.495 -1.695 803 H ALA 110 H ALA 110 -30.534 -50.783 2.651 804 HA ALA 110 HA ALA 110 -28.543 -52.825 2.376 805 1HB ALA 110 1HB ALA 110 -28.105 -52.441 4.709 806 2HB ALA 110 2HB ALA 110 -28.440 -50.867 3.956 807 3HB ALA 110 3HB ALA 110 -29.671 -51.662 4.958 808 H GLU 111 H GLU 111 -31.736 -52.816 4.059 809 HA GLU 111 HA GLU 111 -31.623 -55.534 4.972 810 1HB GLU 111 1HB GLU 111 -34.047 -53.812 4.290 811 2HB GLU 111 2HB GLU 111 -34.093 -55.365 5.131 812 1HG GLU 111 1HG GLU 111 -32.622 -54.402 6.922 813 2HG GLU 111 2HG GLU 111 -32.732 -52.830 6.127 814 H SER 112 H SER 112 -32.938 -54.151 1.914 815 HA SER 112 HA SER 112 -33.909 -56.593 0.802 816 1HB SER 112 1HB SER 112 -32.868 -54.072 -0.539 817 2HB SER 112 2HB SER 112 -33.632 -55.421 -1.401 818 HG SER 112 HG SER 112 -35.147 -53.785 -0.854 819 H HIS 113 H HIS 113 -30.615 -55.164 0.747 820 HA HIS 113 HA HIS 113 -29.524 -57.150 -1.063 821 1HB HIS 113 1HB HIS 113 -28.429 -55.001 -0.777 822 2HB HIS 113 2HB HIS 113 -28.220 -55.278 0.952 823 HD1 HIS 113 HD1 HIS 113 -26.916 -56.775 -2.391 824 HD2 HIS 113 HD2 HIS 113 -26.104 -56.634 1.732 825 HE1 HIS 113 HE1 HIS 113 -24.694 -57.986 -2.044 826 H TYR 114 H TYR 114 -29.523 -56.847 2.545 827 HA TYR 114 HA TYR 114 -28.012 -59.167 3.074 828 1HB TYR 114 1HB TYR 114 -30.190 -57.901 4.759 829 2HB TYR 114 2HB TYR 114 -29.016 -59.075 5.333 830 HD1 TYR 114 HD1 TYR 114 -29.528 -56.368 6.555 831 HD2 TYR 114 HD2 TYR 114 -26.636 -57.670 3.627 832 HE1 TYR 114 HE1 TYR 114 -27.969 -54.552 7.262 833 HE2 TYR 114 HE2 TYR 114 -25.119 -55.847 4.303 834 HH TYR 114 HH TYR 114 -24.839 -53.980 5.629 835 H ILE 115 H ILE 115 -31.495 -59.016 2.362 836 HA ILE 115 HA ILE 115 -31.790 -61.884 3.006 837 HB ILE 115 HB ILE 115 -34.120 -61.659 2.409 838 1HG1 ILE 115 1HG1 ILE 115 -35.102 -59.335 2.135 839 2HG1 ILE 115 2HG1 ILE 115 -33.503 -58.772 1.678 840 1HG2 ILE 115 1HG2 ILE 115 -33.204 -59.420 4.252 841 2HG2 ILE 115 2HG2 ILE 115 -34.761 -60.268 4.281 842 3HG2 ILE 115 3HG2 ILE 115 -33.278 -61.144 4.681 843 1HD1 ILE 115 1HD1 ILE 115 -33.549 -60.164 -0.334 844 2HD1 ILE 115 2HD1 ILE 115 -35.045 -60.959 0.217 845 3HD1 ILE 115 3HD1 ILE 115 -35.048 -59.243 -0.233 846 H GLY 116 H GLY 116 -30.474 -60.330 0.377 847 1HA GLY 116 1HA GLY 116 -31.560 -62.066 -1.732 848 2HA GLY 116 2HA GLY 116 -30.339 -60.811 -1.904 849 H LYS 117 H LYS 117 -30.365 -63.546 -2.952 850 HA LYS 117 HA LYS 117 -28.649 -65.304 -1.525 851 1HB LYS 117 1HB LYS 117 -28.997 -65.054 -4.548 852 2HB LYS 117 2HB LYS 117 -28.307 -66.436 -3.704 853 1HG LYS 117 1HG LYS 117 -31.192 -65.477 -3.533 854 2HG LYS 117 2HG LYS 117 -30.589 -66.900 -4.381 855 1HD LYS 117 1HD LYS 117 -29.798 -67.823 -2.170 856 2HD LYS 117 2HD LYS 117 -30.601 -66.475 -1.355 857 1HE LYS 117 1HE LYS 117 -31.977 -68.510 -3.167 858 2HE LYS 117 2HE LYS 117 -31.922 -68.607 -1.407 859 1HZ LYS 117 1HZ LYS 117 -33.214 -66.420 -2.948 860 2HZ LYS 117 2HZ LYS 117 -33.984 -67.597 -2.131 861 3HZ LYS 117 3HZ LYS 117 -33.123 -66.481 -1.314 862 H THR 118 H THR 118 -27.731 -62.570 -3.564 863 HA THR 118 HA THR 118 -24.977 -63.171 -3.929 864 HB THR 118 HB THR 118 -26.187 -60.414 -3.477 865 HG1 THR 118 HG1 THR 118 -26.509 -60.444 -5.714 866 1HG2 THR 118 1HG2 THR 118 -23.764 -61.338 -5.091 867 2HG2 THR 118 2HG2 THR 118 -24.415 -59.683 -5.062 868 3HG2 THR 118 3HG2 THR 118 -23.719 -60.379 -3.594 869 H HIS 119 H HIS 119 -26.644 -61.586 -1.168 870 HA HIS 119 HA HIS 119 -24.207 -61.097 0.342 871 1HB HIS 119 1HB HIS 119 -26.358 -59.851 0.616 872 2HB HIS 119 2HB HIS 119 -27.085 -61.298 1.318 873 HD2 HIS 119 HD2 HIS 119 -26.727 -61.627 3.895 874 HE1 HIS 119 HE1 HIS 119 -23.718 -58.672 4.546 875 HE2 HIS 119 HE2 HIS 119 -25.281 -60.334 5.682 876 H ILE 120 H ILE 120 -26.734 -63.637 0.420 877 HA ILE 120 HA ILE 120 -25.665 -65.140 2.585 878 HB ILE 120 HB ILE 120 -27.439 -66.028 0.298 879 1HG1 ILE 120 1HG1 ILE 120 -27.977 -65.052 3.153 880 2HG1 ILE 120 2HG1 ILE 120 -28.328 -64.174 1.670 881 1HG2 ILE 120 1HG2 ILE 120 -26.865 -67.418 2.958 882 2HG2 ILE 120 2HG2 ILE 120 -28.063 -67.933 1.750 883 3HG2 ILE 120 3HG2 ILE 120 -26.358 -68.000 1.356 884 1HD1 ILE 120 1HD1 ILE 120 -29.748 -66.677 2.615 885 2HD1 ILE 120 2HD1 ILE 120 -30.390 -65.037 2.463 886 3HD1 ILE 120 3HD1 ILE 120 -29.961 -65.946 1.002 887 H LYS 121 H LYS 121 -24.902 -65.345 -0.899 888 HA LYS 121 HA LYS 121 -23.129 -67.604 -0.757 889 1HB LYS 121 1HB LYS 121 -24.045 -66.592 -2.847 890 2HB LYS 121 2HB LYS 121 -23.031 -65.165 -2.597 891 1HG LYS 121 1HG LYS 121 -20.996 -66.628 -2.712 892 2HG LYS 121 2HG LYS 121 -22.033 -68.021 -3.031 893 1HD LYS 121 1HD LYS 121 -21.799 -65.529 -4.782 894 2HD LYS 121 2HD LYS 121 -20.980 -67.070 -5.070 895 1HE LYS 121 1HE LYS 121 -23.198 -68.205 -5.252 896 2HE LYS 121 2HE LYS 121 -24.002 -66.644 -5.034 897 1HZ LYS 121 1HZ LYS 121 -22.906 -65.874 -7.076 898 2HZ LYS 121 2HZ LYS 121 -22.170 -67.320 -7.276 899 3HZ LYS 121 3HZ LYS 121 -23.792 -67.208 -7.385 900 H ASN 122 H ASN 122 -22.542 -64.111 -0.306 901 HA ASN 122 HA ASN 122 -19.729 -64.386 0.249 902 1HB ASN 122 1HB ASN 122 -21.741 -62.166 0.650 903 2HB ASN 122 2HB ASN 122 -20.118 -62.058 1.319 904 1HD2 ASN 122 1HD2 ASN 122 -21.953 -62.129 -1.723 905 2HD2 ASN 122 2HD2 ASN 122 -20.567 -61.666 -2.702 906 H LEU 123 H LEU 123 -22.577 -64.638 2.444 907 HA LEU 123 HA LEU 123 -21.146 -64.555 4.912 908 1HB LEU 123 1HB LEU 123 -23.458 -66.434 4.248 909 2HB LEU 123 2HB LEU 123 -22.916 -65.985 5.846 910 HG LEU 123 HG LEU 123 -24.259 -64.130 3.861 911 1HD1 LEU 123 1HD1 LEU 123 -25.729 -65.890 4.822 912 2HD1 LEU 123 2HD1 LEU 123 -25.278 -65.349 6.451 913 3HD1 LEU 123 3HD1 LEU 123 -26.173 -64.264 5.363 914 1HD2 LEU 123 1HD2 LEU 123 -24.504 -62.593 5.752 915 2HD2 LEU 123 2HD2 LEU 123 -23.451 -63.630 6.739 916 3HD2 LEU 123 3HD2 LEU 123 -22.807 -62.815 5.289 917 H ARG 124 H ARG 124 -21.699 -67.281 2.694 918 HA ARG 124 HA ARG 124 -20.262 -69.252 4.280 919 1HB ARG 124 1HB ARG 124 -21.068 -69.260 1.334 920 2HB ARG 124 2HB ARG 124 -20.414 -70.640 2.225 921 1HG ARG 124 1HG ARG 124 -22.332 -70.455 3.846 922 2HG ARG 124 2HG ARG 124 -23.052 -69.212 2.815 923 1HD ARG 124 1HD ARG 124 -22.393 -72.058 1.950 924 2HD ARG 124 2HD ARG 124 -23.992 -71.496 2.471 925 HE ARG 124 HE ARG 124 -23.259 -69.773 0.403 926 1HH1 ARG 124 1HH1 ARG 124 -23.861 -73.214 0.668 927 2HH1 ARG 124 2HH1 ARG 124 -24.374 -73.352 -0.991 928 1HH2 ARG 124 1HH2 ARG 124 -23.929 -70.027 -1.727 929 2HH2 ARG 124 2HH2 ARG 124 -24.409 -71.596 -2.297 930 H LEU 125 H LEU 125 -19.324 -67.242 1.476 931 HA LEU 125 HA LEU 125 -16.661 -68.304 1.214 932 1HB LEU 125 1HB LEU 125 -17.856 -65.608 0.461 933 2HB LEU 125 2HB LEU 125 -16.235 -66.110 0.007 934 HG LEU 125 HG LEU 125 -18.743 -67.632 -0.828 935 1HD1 LEU 125 1HD1 LEU 125 -18.402 -66.590 -3.033 936 2HD1 LEU 125 2HD1 LEU 125 -18.721 -65.365 -1.798 937 3HD1 LEU 125 3HD1 LEU 125 -17.063 -65.621 -2.380 938 1HD2 LEU 125 1HD2 LEU 125 -16.727 -69.035 -0.870 939 2HD2 LEU 125 2HD2 LEU 125 -17.236 -68.639 -2.513 940 3HD2 LEU 125 3HD2 LEU 125 -15.855 -67.785 -1.788 941 H ARG 126 H ARG 126 -17.947 -65.676 3.231 942 HA ARG 126 HA ARG 126 -15.297 -64.923 4.312 943 1HB ARG 126 1HB ARG 126 -18.158 -64.067 4.936 944 2HB ARG 126 2HB ARG 126 -16.741 -63.345 5.686 945 1HG ARG 126 1HG ARG 126 -17.181 -63.321 2.664 946 2HG ARG 126 2HG ARG 126 -17.742 -62.048 3.742 947 1HD ARG 126 1HD ARG 126 -15.481 -61.564 4.469 948 2HD ARG 126 2HD ARG 126 -14.837 -62.912 3.527 949 HE ARG 126 HE ARG 126 -15.410 -61.785 1.474 950 1HH1 ARG 126 1HH1 ARG 126 -15.603 -59.644 4.247 951 2HH1 ARG 126 2HH1 ARG 126 -15.777 -58.229 3.236 952 1HH2 ARG 126 1HH2 ARG 126 -15.413 -59.924 0.281 953 2HH2 ARG 126 2HH2 ARG 126 -15.424 -58.373 1.087 954 H GLU 127 H GLU 127 -17.471 -67.364 4.996 955 HA GLU 127 HA GLU 127 -17.908 -68.760 6.704 956 1HB GLU 127 1HB GLU 127 -15.406 -69.055 6.227 957 2HB GLU 127 2HB GLU 127 -15.116 -68.214 7.746 958 1HG GLU 127 1HG GLU 127 -16.568 -69.969 8.903 959 2HG GLU 127 2HG GLU 127 -16.900 -70.688 7.451 960 H GLN 128 H GLN 128 -19.025 -66.347 7.065 961 HA GLN 128 HA GLN 128 -19.240 -66.074 10.013 962 1HB GLN 128 1HB GLN 128 -17.523 -64.443 9.241 963 2HB GLN 128 2HB GLN 128 -18.686 -63.755 8.102 964 1HG GLN 128 1HG GLN 128 -20.131 -63.060 9.995 965 2HG GLN 128 2HG GLN 128 -19.033 -63.849 11.132 966 1HE2 GLN 128 1HE2 GLN 128 -17.897 -62.249 12.240 967 2HE2 GLN 128 2HE2 GLN 128 -17.225 -60.819 11.467 Start of MODEL 6 1 1H ALA 2 1H ALA 2 -10.024 2.744 -10.112 2 HA ALA 2 HA ALA 2 -10.223 4.790 -12.265 3 1HB ALA 2 1HB ALA 2 -11.480 6.286 -10.771 4 2HB ALA 2 2HB ALA 2 -12.374 4.779 -11.026 5 3HB ALA 2 3HB ALA 2 -11.498 5.043 -9.501 6 H ASP 3 H ASP 3 -7.938 3.451 -11.051 7 HA ASP 3 HA ASP 3 -6.549 4.729 -9.051 8 1HB ASP 3 1HB ASP 3 -4.562 3.755 -10.000 9 2HB ASP 3 2HB ASP 3 -5.904 2.623 -10.132 10 H GLU 4 H GLU 4 -7.053 6.097 -12.224 11 HA GLU 4 HA GLU 4 -4.853 7.969 -12.199 12 1HB GLU 4 1HB GLU 4 -5.963 8.963 -14.113 13 2HB GLU 4 2HB GLU 4 -5.933 7.208 -14.258 14 1HG GLU 4 1HG GLU 4 -8.316 7.109 -13.511 15 2HG GLU 4 2HG GLU 4 -8.343 8.868 -13.378 16 H PHE 5 H PHE 5 -7.855 8.005 -10.473 17 HA PHE 5 HA PHE 5 -7.329 10.786 -9.559 18 1HB PHE 5 1HB PHE 5 -8.752 10.992 -11.570 19 2HB PHE 5 2HB PHE 5 -9.936 9.907 -10.860 20 HD1 PHE 5 HD1 PHE 5 -8.190 13.189 -10.270 21 HD2 PHE 5 HD2 PHE 5 -11.720 10.811 -9.579 22 HE1 PHE 5 HE1 PHE 5 -9.308 15.147 -9.223 23 HE2 PHE 5 HE2 PHE 5 -12.835 12.768 -8.532 24 HZ PHE 5 HZ PHE 5 -11.630 14.938 -8.351 25 H GLY 6 H GLY 6 -9.133 7.736 -9.031 26 1HA GLY 6 1HA GLY 6 -9.797 6.795 -7.023 27 2HA GLY 6 2HA GLY 6 -9.110 8.170 -6.147 28 H ASN 7 H ASN 7 -11.695 8.108 -8.629 29 HA ASN 7 HA ASN 7 -13.335 10.036 -7.485 30 1HB ASN 7 1HB ASN 7 -13.503 9.161 -9.811 31 2HB ASN 7 2HB ASN 7 -14.161 7.647 -9.184 32 1HD2 ASN 7 1HD2 ASN 7 -16.088 8.006 -10.482 33 2HD2 ASN 7 2HD2 ASN 7 -17.279 9.185 -9.949 34 H GLY 8 H GLY 8 -14.685 10.186 -5.838 35 1HA GLY 8 1HA GLY 8 -16.477 8.292 -4.795 36 2HA GLY 8 2HA GLY 8 -14.992 8.136 -3.847 37 H ASP 9 H ASP 9 -16.802 10.921 -5.245 38 HA ASP 9 HA ASP 9 -16.172 12.755 -3.185 39 1HB ASP 9 1HB ASP 9 -16.885 13.268 -5.515 40 2HB ASP 9 2HB ASP 9 -18.523 12.754 -5.113 41 H ALA 10 H ALA 10 -18.639 10.295 -3.135 42 HA ALA 10 HA ALA 10 -20.595 11.417 -1.460 43 1HB ALA 10 1HB ALA 10 -19.655 8.526 -1.698 44 2HB ALA 10 2HB ALA 10 -21.201 9.063 -1.004 45 3HB ALA 10 3HB ALA 10 -20.866 9.332 -2.725 46 H LEU 11 H LEU 11 -20.714 11.948 0.622 47 HA LEU 11 HA LEU 11 -18.463 11.618 2.432 48 1HB LEU 11 1HB LEU 11 -19.906 13.679 2.132 49 2HB LEU 11 2HB LEU 11 -21.184 12.855 3.016 50 HG LEU 11 HG LEU 11 -18.371 13.415 4.086 51 1HD1 LEU 11 1HD1 LEU 11 -19.417 15.224 5.380 52 2HD1 LEU 11 2HD1 LEU 11 -19.626 15.492 3.644 53 3HD1 LEU 11 3HD1 LEU 11 -20.987 14.883 4.614 54 1HD2 LEU 11 1HD2 LEU 11 -20.897 12.509 5.538 55 2HD2 LEU 11 2HD2 LEU 11 -19.391 11.585 5.363 56 3HD2 LEU 11 3HD2 LEU 11 -19.402 13.049 6.334 57 H ASP 12 H ASP 12 -18.203 9.609 3.029 58 HA ASP 12 HA ASP 12 -20.350 8.184 4.553 59 1HB ASP 12 1HB ASP 12 -19.909 7.278 2.227 60 2HB ASP 12 2HB ASP 12 -18.278 6.872 2.764 61 H LEU 13 H LEU 13 -18.262 9.975 5.488 62 HA LEU 13 HA LEU 13 -16.042 8.714 6.692 63 1HB LEU 13 1HB LEU 13 -17.660 11.103 7.690 64 2HB LEU 13 2HB LEU 13 -16.014 10.703 8.172 65 HG LEU 13 HG LEU 13 -16.910 11.590 5.395 66 1HD1 LEU 13 1HD1 LEU 13 -16.912 13.383 7.097 67 2HD1 LEU 13 2HD1 LEU 13 -15.223 12.998 7.503 68 3HD1 LEU 13 3HD1 LEU 13 -15.638 13.622 5.889 69 1HD2 LEU 13 1HD2 LEU 13 -14.518 11.732 4.861 70 2HD2 LEU 13 2HD2 LEU 13 -14.109 11.009 6.437 71 3HD2 LEU 13 3HD2 LEU 13 -14.994 10.069 5.209 72 HA PRO 14 HA PRO 14 -18.034 6.507 10.081 73 1HB PRO 14 1HB PRO 14 -15.918 6.022 11.742 74 2HB PRO 14 2HB PRO 14 -16.101 5.203 10.159 75 1HG PRO 14 1HG PRO 14 -14.445 7.643 10.824 76 2HG PRO 14 2HG PRO 14 -13.932 6.194 9.923 77 1HD PRO 14 1HD PRO 14 -14.743 8.483 8.661 78 2HD PRO 14 2HD PRO 14 -15.106 6.866 7.986 79 H VAL 15 H VAL 15 -18.669 6.873 12.301 80 HA VAL 15 HA VAL 15 -17.945 9.501 13.518 81 HB VAL 15 HB VAL 15 -20.811 8.547 13.140 82 1HG1 VAL 15 1HG1 VAL 15 -19.665 11.093 14.383 83 2HG1 VAL 15 2HG1 VAL 15 -21.388 10.770 14.091 84 3HG1 VAL 15 3HG1 VAL 15 -20.502 9.789 15.257 85 1HG2 VAL 15 1HG2 VAL 15 -19.326 10.873 11.844 86 2HG2 VAL 15 2HG2 VAL 15 -19.973 9.438 11.017 87 3HG2 VAL 15 3HG2 VAL 15 -21.080 10.594 11.754 88 H GLY 16 H GLY 16 -17.160 9.082 15.420 89 1HA GLY 16 1HA GLY 16 -17.210 8.496 17.663 90 2HA GLY 16 2HA GLY 16 -18.624 7.486 17.402 91 H LYS 17 H LYS 17 -16.892 6.599 19.090 92 HA LYS 17 HA LYS 17 -14.634 5.108 18.341 93 1HB LYS 17 1HB LYS 17 -15.250 5.744 20.640 94 2HB LYS 17 2HB LYS 17 -16.667 4.702 20.580 95 1HG LYS 17 1HG LYS 17 -14.953 3.691 21.919 96 2HG LYS 17 2HG LYS 17 -15.224 2.698 20.485 97 1HD LYS 17 1HD LYS 17 -13.198 3.670 19.435 98 2HD LYS 17 2HD LYS 17 -12.926 4.678 20.869 99 1HE LYS 17 1HE LYS 17 -12.989 1.628 20.832 100 2HE LYS 17 2HE LYS 17 -11.521 2.618 20.717 101 1HZ LYS 17 1HZ LYS 17 -13.342 2.751 23.055 102 2HZ LYS 17 2HZ LYS 17 -11.990 1.831 22.991 103 3HZ LYS 17 3HZ LYS 17 -11.846 3.439 22.895 104 H ASP 18 H ASP 18 -18.018 3.999 18.419 105 HA ASP 18 HA ASP 18 -17.505 1.243 17.883 106 1HB ASP 18 1HB ASP 18 -19.935 2.967 17.257 107 2HB ASP 18 2HB ASP 18 -19.888 1.212 17.107 108 H ALA 19 H ALA 19 -18.287 3.904 15.558 109 HA ALA 19 HA ALA 19 -18.178 2.268 13.218 110 1HB ALA 19 1HB ALA 19 -17.640 5.250 13.536 111 2HB ALA 19 2HB ALA 19 -17.994 4.403 12.014 112 3HB ALA 19 3HB ALA 19 -19.238 4.499 13.282 113 H VAL 20 H VAL 20 -15.631 4.239 14.834 114 HA VAL 20 HA VAL 20 -13.585 3.671 12.886 115 HB VAL 20 HB VAL 20 -13.394 4.538 15.791 116 1HG1 VAL 20 1HG1 VAL 20 -11.216 4.201 13.686 117 2HG1 VAL 20 2HG1 VAL 20 -11.023 5.213 15.131 118 3HG1 VAL 20 3HG1 VAL 20 -11.278 3.477 15.308 119 1HG2 VAL 20 1HG2 VAL 20 -12.826 6.721 14.763 120 2HG2 VAL 20 2HG2 VAL 20 -13.010 6.020 13.141 121 3HG2 VAL 20 3HG2 VAL 20 -14.414 6.179 14.215 122 H ASN 21 H ASN 21 -14.494 1.915 15.944 123 HA ASN 21 HA ASN 21 -12.365 -0.002 15.713 124 1HB ASN 21 1HB ASN 21 -13.533 0.232 17.803 125 2HB ASN 21 2HB ASN 21 -15.099 -0.029 17.039 126 1HD2 ASN 21 1HD2 ASN 21 -15.923 -1.981 17.433 127 2HD2 ASN 21 2HD2 ASN 21 -14.991 -3.458 17.660 128 H SER 22 H SER 22 -15.796 -0.124 14.469 129 HA SER 22 HA SER 22 -15.568 -2.684 13.247 130 1HB SER 22 1HB SER 22 -17.244 -0.274 12.453 131 2HB SER 22 2HB SER 22 -17.413 -1.896 11.752 132 HG SER 22 HG SER 22 -18.861 -1.531 13.516 133 H LEU 23 H LEU 23 -14.805 0.556 11.906 134 HA LEU 23 HA LEU 23 -14.087 -0.280 9.291 135 1HB LEU 23 1HB LEU 23 -14.572 2.045 10.064 136 2HB LEU 23 2HB LEU 23 -13.071 2.046 10.985 137 HG LEU 23 HG LEU 23 -11.774 1.869 8.871 138 1HD1 LEU 23 1HD1 LEU 23 -14.516 2.153 7.550 139 2HD1 LEU 23 2HD1 LEU 23 -12.955 2.312 6.716 140 3HD1 LEU 23 3HD1 LEU 23 -13.427 0.757 7.407 141 1HD2 LEU 23 1HD2 LEU 23 -13.831 4.114 8.938 142 2HD2 LEU 23 2HD2 LEU 23 -12.326 4.063 9.882 143 3HD2 LEU 23 3HD2 LEU 23 -12.254 4.169 8.114 144 H ILE 24 H ILE 24 -12.062 -0.026 12.248 145 HA ILE 24 HA ILE 24 -9.601 -0.844 10.965 146 HB ILE 24 HB ILE 24 -10.490 -0.909 13.872 147 1HG1 ILE 24 1HG1 ILE 24 -8.450 0.945 12.558 148 2HG1 ILE 24 2HG1 ILE 24 -10.152 1.360 12.648 149 1HG2 ILE 24 1HG2 ILE 24 -7.735 -1.442 12.676 150 2HG2 ILE 24 2HG2 ILE 24 -8.048 -1.206 14.411 151 3HG2 ILE 24 3HG2 ILE 24 -8.726 -2.598 13.587 152 1HD1 ILE 24 1HD1 ILE 24 -10.047 1.079 15.165 153 2HD1 ILE 24 2HD1 ILE 24 -8.278 0.932 15.007 154 3HD1 ILE 24 3HD1 ILE 24 -9.095 2.417 14.510 155 H ARG 25 H ARG 25 -12.070 -2.695 12.842 156 HA ARG 25 HA ARG 25 -10.807 -5.253 12.684 157 1HB ARG 25 1HB ARG 25 -13.761 -4.529 12.829 158 2HB ARG 25 2HB ARG 25 -13.138 -6.154 13.058 159 1HG ARG 25 1HG ARG 25 -12.416 -3.812 14.859 160 2HG ARG 25 2HG ARG 25 -13.760 -4.907 15.123 161 1HD ARG 25 1HD ARG 25 -12.098 -5.709 16.533 162 2HD ARG 25 2HD ARG 25 -12.062 -6.807 15.160 163 HE ARG 25 HE ARG 25 -9.879 -6.179 14.782 164 1HH1 ARG 25 1HH1 ARG 25 -11.259 -3.526 16.693 165 2HH1 ARG 25 2HH1 ARG 25 -9.683 -2.867 16.999 166 1HH2 ARG 25 1HH2 ARG 25 -7.948 -5.213 15.199 167 2HH2 ARG 25 2HH2 ARG 25 -7.878 -3.775 16.170 168 H GLU 26 H GLU 26 -13.142 -3.776 10.427 169 HA GLU 26 HA GLU 26 -13.210 -6.089 8.658 170 1HB GLU 26 1HB GLU 26 -14.165 -3.212 8.361 171 2HB GLU 26 2HB GLU 26 -14.392 -4.451 7.124 172 1HG GLU 26 1HG GLU 26 -15.625 -5.872 8.734 173 2HG GLU 26 2HG GLU 26 -15.474 -4.626 9.968 174 H ASN 27 H ASN 27 -10.896 -3.539 8.964 175 HA ASN 27 HA ASN 27 -9.684 -4.283 6.334 176 1HB ASN 27 1HB ASN 27 -9.928 -1.491 7.485 177 2HB ASN 27 2HB ASN 27 -9.090 -1.913 6.001 178 1HD2 ASN 27 1HD2 ASN 27 -12.184 -1.366 7.469 179 2HD2 ASN 27 2HD2 ASN 27 -13.115 -1.455 5.963 180 H SER 28 H SER 28 -8.983 -5.473 8.778 181 HA SER 28 HA SER 28 -6.831 -4.378 10.183 182 1HB SER 28 1HB SER 28 -6.308 -6.705 10.811 183 2HB SER 28 2HB SER 28 -8.034 -6.326 10.933 184 HG SER 28 HG SER 28 -7.670 -8.345 9.893 185 H HIS 29 H HIS 29 -6.743 -5.467 6.911 186 HA HIS 29 HA HIS 29 -3.897 -6.073 6.747 187 1HB HIS 29 1HB HIS 29 -4.350 -6.261 4.365 188 2HB HIS 29 2HB HIS 29 -5.565 -7.134 5.286 189 HD2 HIS 29 HD2 HIS 29 -5.374 -5.019 2.365 190 HE1 HIS 29 HE1 HIS 29 -9.233 -4.075 3.917 191 HE2 HIS 29 HE2 HIS 29 -7.711 -3.901 1.885 192 H ILE 30 H ILE 30 -5.683 -3.123 6.798 193 HA ILE 30 HA ILE 30 -3.269 -1.596 5.916 194 HB ILE 30 HB ILE 30 -4.807 0.078 4.866 195 1HG1 ILE 30 1HG1 ILE 30 -6.852 -2.177 4.918 196 2HG1 ILE 30 2HG1 ILE 30 -6.935 -0.698 5.870 197 1HG2 ILE 30 1HG2 ILE 30 -4.807 -1.032 2.721 198 2HG2 ILE 30 2HG2 ILE 30 -3.363 -1.512 3.608 199 3HG2 ILE 30 3HG2 ILE 30 -4.735 -2.629 3.493 200 1HD1 ILE 30 1HD1 ILE 30 -7.024 0.623 3.736 201 2HD1 ILE 30 2HD1 ILE 30 -7.115 -0.915 2.843 202 3HD1 ILE 30 3HD1 ILE 30 -8.398 -0.472 3.978 203 H PHE 31 H PHE 31 -5.949 -1.785 8.155 204 HA PHE 31 HA PHE 31 -4.960 0.702 9.522 205 1HB PHE 31 1HB PHE 31 -7.732 -0.493 9.690 206 2HB PHE 31 2HB PHE 31 -7.206 1.042 10.348 207 HD1 PHE 31 HD1 PHE 31 -5.768 1.948 7.610 208 HD2 PHE 31 HD2 PHE 31 -9.656 0.432 8.675 209 HE1 PHE 31 HE1 PHE 31 -6.708 2.874 5.513 210 HE2 PHE 31 HE2 PHE 31 -10.596 1.364 6.578 211 HZ PHE 31 HZ PHE 31 -9.120 2.535 4.974 212 H SER 32 H SER 32 -4.893 0.613 11.800 213 HA SER 32 HA SER 32 -5.502 -1.886 13.224 214 1HB SER 32 1HB SER 32 -3.284 -2.331 14.012 215 2HB SER 32 2HB SER 32 -3.220 -2.278 12.247 216 HG SER 32 HG SER 32 -2.484 -0.107 12.426 217 H ASP 33 H ASP 33 -4.804 -1.688 15.573 218 HA ASP 33 HA ASP 33 -6.077 0.531 16.779 219 1HB ASP 33 1HB ASP 33 -5.803 -1.784 17.692 220 2HB ASP 33 2HB ASP 33 -4.090 -1.451 17.963 221 H THR 34 H THR 34 -2.747 0.246 15.720 222 HA THR 34 HA THR 34 -2.109 2.865 16.988 223 HB THR 34 HB THR 34 0.187 2.042 17.513 224 HG1 THR 34 HG1 THR 34 0.422 0.246 16.289 225 1HG2 THR 34 1HG2 THR 34 -0.365 0.842 19.524 226 2HG2 THR 34 2HG2 THR 34 -1.561 2.127 19.264 227 3HG2 THR 34 3HG2 THR 34 -1.979 0.434 18.908 228 H GLN 35 H GLN 35 -2.412 1.565 13.990 229 HA GLN 35 HA GLN 35 -0.657 3.604 12.849 230 1HB GLN 35 1HB GLN 35 0.888 1.636 13.333 231 2HB GLN 35 2HB GLN 35 -0.113 0.644 12.282 232 1HG GLN 35 1HG GLN 35 0.488 2.199 10.365 233 2HG GLN 35 2HG GLN 35 1.573 3.048 11.472 234 1HE2 GLN 35 1HE2 GLN 35 3.541 1.892 12.185 235 2HE2 GLN 35 2HE2 GLN 35 4.053 0.455 11.316 236 H CYS 36 H CYS 36 -1.147 4.145 10.759 237 HA CYS 36 HA CYS 36 -3.270 2.590 9.297 238 1HB CYS 36 1HB CYS 36 -4.125 4.795 10.040 239 2HB CYS 36 2HB CYS 36 -2.748 5.585 9.257 240 H LYS 37 H LYS 37 -2.318 1.539 7.628 241 HA LYS 37 HA LYS 37 0.314 2.314 6.594 242 1HB LYS 37 1HB LYS 37 -1.614 0.139 5.679 243 2HB LYS 37 2HB LYS 37 0.070 0.336 5.171 244 1HG LYS 37 1HG LYS 37 0.767 0.139 7.593 245 2HG LYS 37 2HG LYS 37 -0.914 -0.269 8.000 246 1HD LYS 37 1HD LYS 37 -0.796 -2.170 6.375 247 2HD LYS 37 2HD LYS 37 0.913 -1.805 6.107 248 1HE LYS 37 1HE LYS 37 -0.346 -2.551 8.793 249 2HE LYS 37 2HE LYS 37 0.486 -3.681 7.724 250 1HZ LYS 37 1HZ LYS 37 1.996 -2.910 9.416 251 2HZ LYS 37 2HZ LYS 37 2.509 -2.307 7.990 252 3HZ LYS 37 3HZ LYS 37 1.739 -1.339 9.071 253 H VAL 38 H VAL 38 -3.009 2.659 5.365 254 HA VAL 38 HA VAL 38 -2.368 3.431 2.674 255 HB VAL 38 HB VAL 38 -4.707 4.029 4.503 256 1HG1 VAL 38 1HG1 VAL 38 -4.634 6.014 3.102 257 2HG1 VAL 38 2HG1 VAL 38 -4.397 5.028 1.639 258 3HG1 VAL 38 3HG1 VAL 38 -5.926 4.958 2.543 259 1HG2 VAL 38 1HG2 VAL 38 -4.455 2.493 1.878 260 2HG2 VAL 38 2HG2 VAL 38 -4.434 1.758 3.485 261 3HG2 VAL 38 3HG2 VAL 38 -5.895 2.585 2.913 262 H CYS 39 H CYS 39 -2.478 5.345 5.675 263 HA CYS 39 HA CYS 39 -1.533 7.773 4.256 264 1HB CYS 39 1HB CYS 39 -2.573 7.301 7.060 265 2HB CYS 39 2HB CYS 39 -2.210 8.858 6.327 266 H SER 40 H SER 40 -0.080 5.139 5.438 267 HA SER 40 HA SER 40 1.704 4.532 6.663 268 1HB SER 40 1HB SER 40 2.399 5.158 4.299 269 2HB SER 40 2HB SER 40 3.090 6.645 4.970 270 HG SER 40 HG SER 40 4.633 4.936 4.828 271 H ALA 41 H ALA 41 0.514 5.708 8.467 272 HA ALA 41 HA ALA 41 2.456 7.452 9.929 273 1HB ALA 41 1HB ALA 41 -0.540 7.945 9.637 274 2HB ALA 41 2HB ALA 41 0.577 8.886 10.649 275 3HB ALA 41 3HB ALA 41 0.757 8.903 8.885 276 H VAL 42 H VAL 42 2.525 7.268 12.104 277 HA VAL 42 HA VAL 42 1.289 4.863 13.313 278 HB VAL 42 HB VAL 42 3.356 6.731 14.549 279 1HG1 VAL 42 1HG1 VAL 42 3.913 4.749 15.925 280 2HG1 VAL 42 2HG1 VAL 42 2.231 5.205 16.162 281 3HG1 VAL 42 3HG1 VAL 42 2.628 3.818 15.128 282 1HG2 VAL 42 1HG2 VAL 42 4.353 5.836 12.490 283 2HG2 VAL 42 2HG2 VAL 42 5.048 5.015 13.883 284 3HG2 VAL 42 3HG2 VAL 42 3.808 4.195 12.909 285 H LEU 43 H LEU 43 0.112 4.944 15.206 286 HA LEU 43 HA LEU 43 -1.209 7.506 16.007 287 1HB LEU 43 1HB LEU 43 -2.501 4.798 15.446 288 2HB LEU 43 2HB LEU 43 -3.344 6.240 15.971 289 HG LEU 43 HG LEU 43 -1.855 6.036 13.307 290 1HD1 LEU 43 1HD1 LEU 43 -4.806 5.619 13.846 291 2HD1 LEU 43 2HD1 LEU 43 -4.033 5.739 12.258 292 3HD1 LEU 43 3HD1 LEU 43 -3.639 4.391 13.336 293 1HD2 LEU 43 1HD2 LEU 43 -3.170 7.979 12.685 294 2HD2 LEU 43 2HD2 LEU 43 -3.967 8.004 14.276 295 3HD2 LEU 43 3HD2 LEU 43 -2.234 8.356 14.137 296 H ILE 44 H ILE 44 0.522 7.296 17.664 297 HA ILE 44 HA ILE 44 0.644 5.064 19.450 298 HB ILE 44 HB ILE 44 2.188 6.357 20.781 299 1HG1 ILE 44 1HG1 ILE 44 1.649 8.745 18.973 300 2HG1 ILE 44 2HG1 ILE 44 1.005 8.578 20.612 301 1HG2 ILE 44 1HG2 ILE 44 3.931 6.563 19.151 302 2HG2 ILE 44 2HG2 ILE 44 2.877 5.246 18.637 303 3HG2 ILE 44 3HG2 ILE 44 2.773 6.833 17.837 304 1HD1 ILE 44 1HD1 ILE 44 3.944 8.769 19.848 305 2HD1 ILE 44 2HD1 ILE 44 2.962 9.981 20.685 306 3HD1 ILE 44 3HD1 ILE 44 3.340 8.447 21.492 307 H SER 45 H SER 45 -1.933 7.020 19.360 308 HA SER 45 HA SER 45 -2.718 6.389 22.134 309 1HB SER 45 1HB SER 45 -1.770 8.640 22.346 310 2HB SER 45 2HB SER 45 -2.750 9.210 20.982 311 HG SER 45 HG SER 45 -3.611 9.661 23.139 312 H GLU 46 H GLU 46 -4.979 6.221 22.377 313 HA GLU 46 HA GLU 46 -6.507 5.519 20.048 314 1HB GLU 46 1HB GLU 46 -6.963 4.575 22.225 315 2HB GLU 46 2HB GLU 46 -7.412 6.158 22.883 316 1HG GLU 46 1HG GLU 46 -9.394 6.269 21.619 317 2HG GLU 46 2HG GLU 46 -8.826 5.100 20.423 318 H SER 47 H SER 47 -6.222 8.648 21.802 319 HA SER 47 HA SER 47 -8.401 9.922 20.419 320 1HB SER 47 1HB SER 47 -5.884 11.223 21.510 321 2HB SER 47 2HB SER 47 -7.419 12.018 21.086 322 HG SER 47 HG SER 47 -7.250 11.579 23.347 323 H GLN 48 H GLN 48 -4.931 9.525 19.564 324 HA GLN 48 HA GLN 48 -5.026 11.131 17.155 325 1HB GLN 48 1HB GLN 48 -3.203 8.835 18.019 326 2HB GLN 48 2HB GLN 48 -3.002 9.721 16.514 327 1HG GLN 48 1HG GLN 48 -2.529 11.770 17.626 328 2HG GLN 48 2HG GLN 48 -3.103 11.158 19.182 329 1HE2 GLN 48 1HE2 GLN 48 -1.211 11.410 20.374 330 2HE2 GLN 48 2HE2 GLN 48 0.268 10.534 19.993 331 H LYS 49 H LYS 49 -5.501 7.624 17.801 332 HA LYS 49 HA LYS 49 -5.976 6.897 15.069 333 1HB LYS 49 1HB LYS 49 -5.891 4.856 15.961 334 2HB LYS 49 2HB LYS 49 -5.744 5.585 17.547 335 1HG LYS 49 1HG LYS 49 -8.243 5.499 17.775 336 2HG LYS 49 2HG LYS 49 -8.313 4.629 16.233 337 1HD LYS 49 1HD LYS 49 -6.951 2.803 17.222 338 2HD LYS 49 2HD LYS 49 -6.815 3.718 18.738 339 1HE LYS 49 1HE LYS 49 -9.392 3.794 18.732 340 2HE LYS 49 2HE LYS 49 -9.316 2.560 17.457 341 1HZ LYS 49 1HZ LYS 49 -9.455 1.296 19.387 342 2HZ LYS 49 2HZ LYS 49 -7.829 1.345 19.251 343 3HZ LYS 49 3HZ LYS 49 -8.616 2.329 20.312 344 H LEU 50 H LEU 50 -8.274 7.806 17.611 345 HA LEU 50 HA LEU 50 -10.625 7.575 15.999 346 1HB LEU 50 1HB LEU 50 -9.967 9.158 18.521 347 2HB LEU 50 2HB LEU 50 -11.571 9.194 17.792 348 HG LEU 50 HG LEU 50 -10.204 6.612 18.670 349 1HD1 LEU 50 1HD1 LEU 50 -11.698 6.608 20.584 350 2HD1 LEU 50 2HD1 LEU 50 -10.698 8.074 20.614 351 3HD1 LEU 50 3HD1 LEU 50 -12.396 8.171 20.092 352 1HD2 LEU 50 1HD2 LEU 50 -11.940 6.244 16.970 353 2HD2 LEU 50 2HD2 LEU 50 -12.463 5.668 18.538 354 3HD2 LEU 50 3HD2 LEU 50 -13.095 7.210 17.912 355 H ALA 51 H ALA 51 -8.495 10.438 16.505 356 HA ALA 51 HA ALA 51 -10.153 12.127 14.829 357 1HB ALA 51 1HB ALA 51 -8.206 13.658 14.949 358 2HB ALA 51 2HB ALA 51 -8.603 13.012 16.553 359 3HB ALA 51 3HB ALA 51 -7.214 12.362 15.652 360 H HIS 52 H HIS 52 -7.233 10.135 14.151 361 HA HIS 52 HA HIS 52 -6.883 11.023 11.468 362 1HB HIS 52 1HB HIS 52 -5.197 9.844 12.859 363 2HB HIS 52 2HB HIS 52 -6.130 8.350 12.724 364 HD1 HIS 52 HD1 HIS 52 -3.525 10.351 10.918 365 HD2 HIS 52 HD2 HIS 52 -6.399 7.398 10.041 366 HE1 HIS 52 HE1 HIS 52 -2.933 9.420 8.608 367 H TYR 53 H TYR 53 -8.591 8.045 12.686 368 HA TYR 53 HA TYR 53 -9.347 7.248 10.032 369 1HB TYR 53 1HB TYR 53 -10.392 6.422 12.756 370 2HB TYR 53 2HB TYR 53 -10.891 5.669 11.245 371 HD1 TYR 53 HD1 TYR 53 -8.676 5.156 9.636 372 HD2 TYR 53 HD2 TYR 53 -8.843 5.040 13.928 373 HE1 TYR 53 HE1 TYR 53 -6.685 3.661 9.669 374 HE2 TYR 53 HE2 TYR 53 -6.864 3.532 13.966 375 HH TYR 53 HH TYR 53 -5.351 2.393 12.740 376 H GLN 54 H GLN 54 -10.916 9.532 12.208 377 HA GLN 54 HA GLN 54 -13.406 9.521 10.599 378 1HB GLN 54 1HB GLN 54 -12.519 11.170 12.990 379 2HB GLN 54 2HB GLN 54 -14.078 11.348 12.174 380 1HG GLN 54 1HG GLN 54 -14.669 9.012 12.688 381 2HG GLN 54 2HG GLN 54 -13.115 8.771 13.479 382 1HE2 GLN 54 1HE2 GLN 54 -12.652 10.203 15.384 383 2HE2 GLN 54 2HE2 GLN 54 -14.023 10.656 16.412 384 H SER 55 H SER 55 -10.355 11.107 10.396 385 HA SER 55 HA SER 55 -11.129 13.642 9.362 386 1HB SER 55 1HB SER 55 -8.873 13.166 10.155 387 2HB SER 55 2HB SER 55 -8.622 12.005 8.833 388 HG SER 55 HG SER 55 -7.820 14.242 8.524 389 H ARG 56 H ARG 56 -11.521 14.445 7.378 390 HA ARG 56 HA ARG 56 -12.420 12.741 5.213 391 1HB ARG 56 1HB ARG 56 -13.261 15.033 5.789 392 2HB ARG 56 2HB ARG 56 -11.768 15.724 5.166 393 1HG ARG 56 1HG ARG 56 -13.492 13.906 3.437 394 2HG ARG 56 2HG ARG 56 -13.974 15.575 3.701 395 1HD ARG 56 1HD ARG 56 -11.302 14.750 2.507 396 2HD ARG 56 2HD ARG 56 -12.731 15.232 1.589 397 HE ARG 56 HE ARG 56 -12.227 17.304 3.433 398 1HH1 ARG 56 1HH1 ARG 56 -10.651 15.984 0.599 399 2HH1 ARG 56 2HH1 ARG 56 -9.882 17.497 0.210 400 1HH2 ARG 56 1HH2 ARG 56 -11.230 19.206 2.871 401 2HH2 ARG 56 2HH2 ARG 56 -10.225 19.276 1.455 402 H LYS 57 H LYS 57 -9.319 14.231 5.975 403 HA LYS 57 HA LYS 57 -8.051 13.863 3.392 404 1HB LYS 57 1HB LYS 57 -6.763 13.903 6.159 405 2HB LYS 57 2HB LYS 57 -5.946 14.149 4.621 406 1HG LYS 57 1HG LYS 57 -8.007 16.007 5.887 407 2HG LYS 57 2HG LYS 57 -6.266 16.251 5.791 408 1HD LYS 57 1HD LYS 57 -6.444 16.315 3.274 409 2HD LYS 57 2HD LYS 57 -8.198 16.145 3.431 410 1HE LYS 57 1HE LYS 57 -7.771 18.457 3.094 411 2HE LYS 57 2HE LYS 57 -8.274 18.252 4.773 412 1HZ LYS 57 1HZ LYS 57 -5.925 18.408 5.422 413 2HZ LYS 57 2HZ LYS 57 -5.455 18.553 3.860 414 3HZ LYS 57 3HZ LYS 57 -6.343 19.726 4.562 415 H HIS 58 H HIS 58 -8.324 11.772 6.251 416 HA HIS 58 HA HIS 58 -6.770 9.551 5.213 417 1HB HIS 58 1HB HIS 58 -7.175 9.642 7.564 418 2HB HIS 58 2HB HIS 58 -8.912 9.826 7.348 419 HD2 HIS 58 HD2 HIS 58 -10.393 7.668 6.923 420 HE1 HIS 58 HE1 HIS 58 -7.295 4.763 7.287 421 HE2 HIS 58 HE2 HIS 58 -9.813 5.103 7.109 422 H ALA 59 H ALA 59 -10.317 10.244 5.227 423 HA ALA 59 HA ALA 59 -11.101 7.941 3.787 424 1HB ALA 59 1HB ALA 59 -12.618 9.429 5.021 425 2HB ALA 59 2HB ALA 59 -12.376 10.707 3.803 426 3HB ALA 59 3HB ALA 59 -13.166 9.183 3.350 427 H ASN 60 H ASN 60 -10.046 11.134 2.486 428 HA ASN 60 HA ASN 60 -10.534 10.572 -0.268 429 1HB ASN 60 1HB ASN 60 -10.073 12.822 0.640 430 2HB ASN 60 2HB ASN 60 -8.426 12.343 1.055 431 1HD2 ASN 60 1HD2 ASN 60 -10.645 12.931 -1.693 432 2HD2 ASN 60 2HD2 ASN 60 -9.347 13.177 -2.849 433 H LYS 61 H LYS 61 -7.603 9.946 1.733 434 HA LYS 61 HA LYS 61 -6.080 8.702 -0.402 435 1HB LYS 61 1HB LYS 61 -5.872 8.568 2.637 436 2HB LYS 61 2HB LYS 61 -4.791 7.692 1.539 437 1HG LYS 61 1HG LYS 61 -4.079 9.758 0.468 438 2HG LYS 61 2HG LYS 61 -5.152 10.712 1.516 439 1HD LYS 61 1HD LYS 61 -3.890 10.136 3.488 440 2HD LYS 61 2HD LYS 61 -3.029 8.843 2.639 441 1HE LYS 61 1HE LYS 61 -1.511 10.655 2.913 442 2HE LYS 61 2HE LYS 61 -1.901 10.482 1.201 443 1HZ LYS 61 1HZ LYS 61 -1.942 12.817 1.905 444 2HZ LYS 61 2HZ LYS 61 -3.438 12.372 1.432 445 3HZ LYS 61 3HZ LYS 61 -3.088 12.517 3.025 446 H VAL 62 H VAL 62 -8.304 7.337 2.067 447 HA VAL 62 HA VAL 62 -7.927 4.591 1.281 448 HB VAL 62 HB VAL 62 -10.278 5.959 2.631 449 1HG1 VAL 62 1HG1 VAL 62 -10.965 3.660 3.326 450 2HG1 VAL 62 2HG1 VAL 62 -11.138 3.902 1.590 451 3HG1 VAL 62 3HG1 VAL 62 -9.755 2.978 2.218 452 1HG2 VAL 62 1HG2 VAL 62 -9.366 4.853 4.629 453 2HG2 VAL 62 2HG2 VAL 62 -8.047 4.145 3.664 454 3HG2 VAL 62 3HG2 VAL 62 -8.131 5.891 3.920 455 H ARG 63 H ARG 63 -10.207 7.090 0.047 456 HA ARG 63 HA ARG 63 -11.551 5.360 -1.839 457 1HB ARG 63 1HB ARG 63 -11.250 8.329 -1.437 458 2HB ARG 63 2HB ARG 63 -11.638 7.794 -3.064 459 1HG ARG 63 1HG ARG 63 -13.666 8.303 -1.896 460 2HG ARG 63 2HG ARG 63 -13.602 6.585 -2.289 461 1HD ARG 63 1HD ARG 63 -12.918 6.115 0.085 462 2HD ARG 63 2HD ARG 63 -13.100 7.832 0.450 463 HE ARG 63 HE ARG 63 -15.226 5.848 -0.027 464 1HH1 ARG 63 1HH1 ARG 63 -14.625 9.310 0.223 465 2HH1 ARG 63 2HH1 ARG 63 -16.336 9.639 0.359 466 1HH2 ARG 63 1HH2 ARG 63 -17.383 6.443 0.179 467 2HH2 ARG 63 2HH2 ARG 63 -17.765 8.144 0.383 468 H ARG 64 H ARG 64 -8.572 7.316 -2.187 469 HA ARG 64 HA ARG 64 -8.126 6.537 -4.930 470 1HB ARG 64 1HB ARG 64 -7.067 8.525 -3.728 471 2HB ARG 64 2HB ARG 64 -6.021 7.386 -2.887 472 1HG ARG 64 1HG ARG 64 -4.823 8.355 -4.756 473 2HG ARG 64 2HG ARG 64 -5.087 6.643 -5.097 474 1HD ARG 64 1HD ARG 64 -6.990 7.209 -6.565 475 2HD ARG 64 2HD ARG 64 -6.817 8.922 -6.168 476 HE ARG 64 HE ARG 64 -5.234 7.305 -8.039 477 1HH1 ARG 64 1HH1 ARG 64 -5.233 10.386 -6.343 478 2HH1 ARG 64 2HH1 ARG 64 -4.155 11.095 -7.515 479 1HH2 ARG 64 1HH2 ARG 64 -3.984 8.234 -9.440 480 2HH2 ARG 64 2HH2 ARG 64 -3.436 9.892 -9.252 481 H TYR 65 H TYR 65 -7.000 5.113 -1.857 482 HA TYR 65 HA TYR 65 -5.432 3.023 -3.044 483 1HB TYR 65 1HB TYR 65 -5.191 3.656 -0.700 484 2HB TYR 65 2HB TYR 65 -6.853 3.188 -0.358 485 HD1 TYR 65 HD1 TYR 65 -3.500 1.879 -1.365 486 HD2 TYR 65 HD2 TYR 65 -7.456 0.899 0.046 487 HE1 TYR 65 HE1 TYR 65 -2.792 -0.487 -1.005 488 HE2 TYR 65 HE2 TYR 65 -6.753 -1.467 0.384 489 HH TYR 65 HH TYR 65 -5.051 -2.995 0.190 490 H MET 66 H MET 66 -8.905 3.070 -2.040 491 HA MET 66 HA MET 66 -9.477 0.364 -2.689 492 1HB MET 66 1HB MET 66 -11.188 2.863 -2.513 493 2HB MET 66 2HB MET 66 -11.882 1.304 -2.977 494 1HG MET 66 1HG MET 66 -10.267 1.737 -0.443 495 2HG MET 66 2HG MET 66 -12.027 1.802 -0.515 496 1HE MET 66 1HE MET 66 -10.803 0.030 1.587 497 2HE MET 66 2HE MET 66 -10.306 -1.623 1.151 498 3HE MET 66 3HE MET 66 -9.302 -0.239 0.666 499 H ALA 67 H ALA 67 -9.251 3.208 -4.791 500 HA ALA 67 HA ALA 67 -10.340 1.926 -7.154 501 1HB ALA 67 1HB ALA 67 -10.379 4.377 -6.723 502 2HB ALA 67 2HB ALA 67 -8.604 4.417 -6.867 503 3HB ALA 67 3HB ALA 67 -9.601 3.965 -8.258 504 H ILE 68 H ILE 68 -7.481 1.333 -5.542 505 HA ILE 68 HA ILE 68 -5.989 0.377 -7.962 506 HB ILE 68 HB ILE 68 -4.963 1.418 -5.287 507 1HG1 ILE 68 1HG1 ILE 68 -4.476 2.527 -8.076 508 2HG1 ILE 68 2HG1 ILE 68 -5.746 3.138 -7.023 509 1HG2 ILE 68 1HG2 ILE 68 -2.676 1.106 -6.237 510 2HG2 ILE 68 2HG2 ILE 68 -3.509 -0.417 -6.024 511 3HG2 ILE 68 3HG2 ILE 68 -3.388 0.299 -7.649 512 1HD1 ILE 68 1HD1 ILE 68 -3.906 4.625 -6.834 513 2HD1 ILE 68 2HD1 ILE 68 -4.019 3.728 -5.308 514 3HD1 ILE 68 3HD1 ILE 68 -2.764 3.316 -6.505 515 H ASN 69 H ASN 69 -7.197 -0.370 -4.748 516 HA ASN 69 HA ASN 69 -5.993 -2.752 -4.046 517 1HB ASN 69 1HB ASN 69 -7.519 -1.343 -2.683 518 2HB ASN 69 2HB ASN 69 -8.880 -1.840 -3.692 519 1HD2 ASN 69 1HD2 ASN 69 -9.863 -2.482 -1.611 520 2HD2 ASN 69 2HD2 ASN 69 -9.417 -4.049 -0.955 521 H GLN 70 H GLN 70 -6.425 -4.927 -4.271 522 HA GLN 70 HA GLN 70 -8.011 -5.808 -6.656 523 1HB GLN 70 1HB GLN 70 -5.407 -6.946 -5.571 524 2HB GLN 70 2HB GLN 70 -6.329 -7.573 -6.946 525 1HG GLN 70 1HG GLN 70 -6.009 -5.401 -8.139 526 2HG GLN 70 2HG GLN 70 -5.018 -4.826 -6.798 527 1HE2 GLN 70 1HE2 GLN 70 -3.507 -4.555 -8.776 528 2HE2 GLN 70 2HE2 GLN 70 -2.468 -5.935 -9.111 529 H GLY 71 H GLY 71 -8.394 -5.773 -3.471 530 1HA GLY 71 1HA GLY 71 -8.927 -8.509 -2.737 531 2HA GLY 71 2HA GLY 71 -9.407 -7.058 -1.860 532 H GLU 72 H GLU 72 -10.259 -8.421 -5.068 533 HA GLU 72 HA GLU 72 -12.950 -7.560 -5.142 534 1HB GLU 72 1HB GLU 72 -11.599 -9.885 -6.553 535 2HB GLU 72 2HB GLU 72 -13.209 -9.263 -6.942 536 1HG GLU 72 1HG GLU 72 -12.242 -7.031 -7.435 537 2HG GLU 72 2HG GLU 72 -10.624 -7.656 -7.113 538 H ASP 73 H ASP 73 -11.687 -10.256 -3.341 539 HA ASP 73 HA ASP 73 -14.156 -11.782 -3.151 540 1HB ASP 73 1HB ASP 73 -11.642 -11.767 -1.432 541 2HB ASP 73 2HB ASP 73 -12.937 -12.957 -1.322 542 H SER 74 H SER 74 -13.394 -8.766 -1.869 543 HA SER 74 HA SER 74 -15.211 -9.077 0.498 544 1HB SER 74 1HB SER 74 -12.834 -7.217 0.143 545 2HB SER 74 2HB SER 74 -13.873 -7.311 1.574 546 HG SER 74 HG SER 74 -13.168 -9.433 1.920 547 H VAL 75 H VAL 75 -15.830 -8.172 -2.402 548 HA VAL 75 HA VAL 75 -16.492 -5.363 -2.170 549 HB VAL 75 HB VAL 75 -17.743 -5.687 -4.294 550 1HG1 VAL 75 1HG1 VAL 75 -15.779 -6.192 -5.672 551 2HG1 VAL 75 2HG1 VAL 75 -15.369 -5.129 -4.316 552 3HG1 VAL 75 3HG1 VAL 75 -14.939 -6.848 -4.253 553 1HG2 VAL 75 1HG2 VAL 75 -18.540 -8.006 -4.007 554 2HG2 VAL 75 2HG2 VAL 75 -17.630 -7.800 -5.509 555 3HG2 VAL 75 3HG2 VAL 75 -16.878 -8.601 -4.120 556 HA PRO 76 HA PRO 76 -20.432 -5.312 -0.181 557 1HB PRO 76 1HB PRO 76 -21.447 -3.557 -2.410 558 2HB PRO 76 2HB PRO 76 -21.514 -3.290 -0.640 559 1HG PRO 76 1HG PRO 76 -19.691 -1.982 -2.148 560 2HG PRO 76 2HG PRO 76 -19.202 -2.695 -0.574 561 1HD PRO 76 1HD PRO 76 -18.834 -3.850 -3.351 562 2HD PRO 76 2HD PRO 76 -17.650 -3.692 -2.020 563 H ALA 77 H ALA 77 -20.354 -6.670 -3.326 564 HA ALA 77 HA ALA 77 -23.130 -7.160 -3.808 565 1HB ALA 77 1HB ALA 77 -20.662 -8.534 -4.949 566 2HB ALA 77 2HB ALA 77 -22.292 -8.519 -5.651 567 3HB ALA 77 3HB ALA 77 -21.368 -7.013 -5.547 568 H LYS 78 H LYS 78 -22.837 -7.929 -1.217 569 HA LYS 78 HA LYS 78 -23.371 -10.882 -1.217 570 1HB LYS 78 1HB LYS 78 -21.890 -9.306 0.933 571 2HB LYS 78 2HB LYS 78 -22.284 -11.029 0.980 572 1HG LYS 78 1HG LYS 78 -20.866 -11.367 -1.073 573 2HG LYS 78 2HG LYS 78 -20.374 -9.665 -0.963 574 1HD LYS 78 1HD LYS 78 -19.515 -10.103 1.357 575 2HD LYS 78 2HD LYS 78 -19.916 -11.823 1.139 576 1HE LYS 78 1HE LYS 78 -18.434 -11.827 -0.915 577 2HE LYS 78 2HE LYS 78 -17.969 -10.166 -0.527 578 1HZ LYS 78 1HZ LYS 78 -16.345 -11.681 0.358 579 2HZ LYS 78 2HZ LYS 78 -17.135 -11.031 1.636 580 3HZ LYS 78 3HZ LYS 78 -17.470 -12.561 1.161 581 H LYS 79 H LYS 79 -24.870 -8.060 -0.962 582 HA LYS 79 HA LYS 79 -27.004 -9.040 0.866 583 1HB LYS 79 1HB LYS 79 -25.558 -7.574 2.205 584 2HB LYS 79 2HB LYS 79 -25.665 -6.297 0.991 585 1HG LYS 79 1HG LYS 79 -28.053 -5.996 1.442 586 2HG LYS 79 2HG LYS 79 -28.054 -7.394 2.542 587 1HD LYS 79 1HD LYS 79 -26.516 -6.236 4.072 588 2HD LYS 79 2HD LYS 79 -26.338 -4.900 2.935 589 1HE LYS 79 1HE LYS 79 -27.788 -4.245 4.748 590 2HE LYS 79 2HE LYS 79 -28.686 -4.260 3.229 591 1HZ LYS 79 1HZ LYS 79 -29.776 -6.254 3.869 592 2HZ LYS 79 2HZ LYS 79 -28.766 -6.527 5.148 593 3HZ LYS 79 3HZ LYS 79 -29.840 -5.299 5.184 594 H PHE 80 H PHE 80 -28.927 -8.838 -0.053 595 HA PHE 80 HA PHE 80 -29.346 -6.957 -2.347 596 1HB PHE 80 1HB PHE 80 -30.143 -9.887 -2.274 597 2HB PHE 80 2HB PHE 80 -30.376 -8.770 -3.611 598 HD1 PHE 80 HD1 PHE 80 -28.072 -11.091 -2.025 599 HD2 PHE 80 HD2 PHE 80 -28.334 -7.806 -4.811 600 HE1 PHE 80 HE1 PHE 80 -25.844 -11.692 -2.946 601 HE2 PHE 80 HE2 PHE 80 -26.107 -8.415 -5.732 602 HZ PHE 80 HZ PHE 80 -24.863 -10.359 -4.803 603 H LYS 81 H LYS 81 -30.430 -7.440 0.639 604 HA LYS 81 HA LYS 81 -33.145 -6.418 0.067 605 1HB LYS 81 1HB LYS 81 -32.578 -8.862 1.821 606 2HB LYS 81 2HB LYS 81 -34.102 -7.981 1.829 607 1HG LYS 81 1HG LYS 81 -32.963 -9.454 -0.577 608 2HG LYS 81 2HG LYS 81 -34.187 -10.075 0.519 609 1HD LYS 81 1HD LYS 81 -35.767 -8.339 -0.089 610 2HD LYS 81 2HD LYS 81 -34.589 -7.522 -1.116 611 1HE LYS 81 1HE LYS 81 -35.596 -10.358 -1.582 612 2HE LYS 81 2HE LYS 81 -36.271 -8.913 -2.343 613 1HZ LYS 81 1HZ LYS 81 -33.493 -9.896 -2.687 614 2HZ LYS 81 2HZ LYS 81 -34.665 -9.886 -3.823 615 3HZ LYS 81 3HZ LYS 81 -34.032 -8.477 -3.280 616 H ALA 82 H ALA 82 -33.998 -5.163 1.673 617 HA ALA 82 HA ALA 82 -32.670 -4.696 4.231 618 1HB ALA 82 1HB ALA 82 -32.115 -2.333 3.737 619 2HB ALA 82 2HB ALA 82 -31.241 -3.405 2.639 620 3HB ALA 82 3HB ALA 82 -32.678 -2.537 2.063 621 H ALA 83 H ALA 83 -33.784 -2.664 5.294 622 HA ALA 83 HA ALA 83 -36.534 -3.214 5.587 623 1HB ALA 83 1HB ALA 83 -35.135 -2.291 7.351 624 2HB ALA 83 2HB ALA 83 -34.927 -0.776 6.447 625 3HB ALA 83 3HB ALA 83 -36.529 -1.238 7.054 626 HA PRO 84 HA PRO 84 -37.799 0.683 3.132 627 1HB PRO 84 1HB PRO 84 -36.166 1.940 1.358 628 2HB PRO 84 2HB PRO 84 -36.101 2.262 3.116 629 1HG PRO 84 1HG PRO 84 -34.340 0.387 1.504 630 2HG PRO 84 2HG PRO 84 -33.831 1.655 2.669 631 1HD PRO 84 1HD PRO 84 -34.066 -0.957 3.362 632 2HD PRO 84 2HD PRO 84 -34.472 0.349 4.513 633 H ALA 85 H ALA 85 -38.494 1.111 0.845 634 HA ALA 85 HA ALA 85 -38.017 -1.088 -1.092 635 1HB ALA 85 1HB ALA 85 -39.960 -1.752 0.300 636 2HB ALA 85 2HB ALA 85 -40.765 -0.214 -0.091 637 3HB ALA 85 3HB ALA 85 -40.445 -1.407 -1.369 638 H GLU 86 H GLU 86 -39.150 -0.585 -3.215 639 HA GLU 86 HA GLU 86 -38.174 1.881 -4.237 640 1HB GLU 86 1HB GLU 86 -40.108 -0.163 -5.400 641 2HB GLU 86 2HB GLU 86 -39.497 1.226 -6.295 642 1HG GLU 86 1HG GLU 86 -37.154 0.435 -5.897 643 2HG GLU 86 2HG GLU 86 -37.802 -1.012 -5.118 644 H ILE 87 H ILE 87 -39.193 3.611 -5.235 645 HA ILE 87 HA ILE 87 -42.022 4.258 -4.558 646 HB ILE 87 HB ILE 87 -39.721 6.211 -4.147 647 1HG1 ILE 87 1HG1 ILE 87 -41.469 4.838 -2.061 648 2HG1 ILE 87 2HG1 ILE 87 -39.757 4.521 -2.345 649 1HG2 ILE 87 1HG2 ILE 87 -42.713 6.504 -3.624 650 2HG2 ILE 87 2HG2 ILE 87 -41.469 7.737 -3.325 651 3HG2 ILE 87 3HG2 ILE 87 -41.821 7.254 -4.967 652 1HD1 ILE 87 1HD1 ILE 87 -39.234 6.893 -1.735 653 2HD1 ILE 87 2HD1 ILE 87 -40.935 7.082 -1.234 654 3HD1 ILE 87 3HD1 ILE 87 -39.900 5.904 -0.421 655 H SER 88 H SER 88 -42.952 4.416 -6.482 656 HA SER 88 HA SER 88 -41.558 4.757 -8.951 657 1HB SER 88 1HB SER 88 -43.847 4.722 -9.924 658 2HB SER 88 2HB SER 88 -43.517 3.387 -8.808 659 HG SER 88 HG SER 88 -45.573 4.372 -8.432 660 H ASP 89 H ASP 89 -42.691 7.181 -6.815 661 HA ASP 89 HA ASP 89 -42.296 9.290 -8.869 662 1HB ASP 89 1HB ASP 89 -44.721 8.764 -8.750 663 2HB ASP 89 2HB ASP 89 -44.711 9.132 -7.025 664 H GLY 90 H GLY 90 -40.272 8.824 -7.362 665 1HA GLY 90 1HA GLY 90 -39.949 11.186 -5.687 666 2HA GLY 90 2HA GLY 90 -39.921 9.677 -4.773 667 H GLU 91 H GLU 91 -37.726 10.869 -4.417 668 HA GLU 91 HA GLU 91 -35.636 10.952 -6.280 669 1HB GLU 91 1HB GLU 91 -35.698 11.957 -4.004 670 2HB GLU 91 2HB GLU 91 -35.447 10.356 -3.301 671 1HG GLU 91 1HG GLU 91 -33.236 10.202 -4.364 672 2HG GLU 91 2HG GLU 91 -33.518 11.711 -5.240 673 H ASP 92 H ASP 92 -36.957 8.098 -4.766 674 HA ASP 92 HA ASP 92 -34.830 6.246 -5.038 675 1HB ASP 92 1HB ASP 92 -36.892 5.830 -3.784 676 2HB ASP 92 2HB ASP 92 -37.834 5.940 -5.275 677 H ARG 93 H ARG 93 -36.925 7.639 -7.540 678 HA ARG 93 HA ARG 93 -36.332 5.676 -9.620 679 1HB ARG 93 1HB ARG 93 -37.285 8.572 -9.782 680 2HB ARG 93 2HB ARG 93 -37.186 7.474 -11.152 681 1HG ARG 93 1HG ARG 93 -39.030 7.147 -8.746 682 2HG ARG 93 2HG ARG 93 -39.464 7.678 -10.364 683 1HD ARG 93 1HD ARG 93 -40.104 5.477 -10.477 684 2HD ARG 93 2HD ARG 93 -38.482 5.391 -11.166 685 HE ARG 93 HE ARG 93 -38.614 4.953 -8.256 686 1HH1 ARG 93 1HH1 ARG 93 -39.038 3.207 -11.283 687 2HH1 ARG 93 2HH1 ARG 93 -38.610 1.688 -10.531 688 1HH2 ARG 93 1HH2 ARG 93 -37.913 3.002 -7.457 689 2HH2 ARG 93 2HH2 ARG 93 -38.075 1.559 -8.446 690 H SER 94 H SER 94 -34.537 8.377 -8.363 691 HA SER 94 HA SER 94 -32.827 8.828 -10.652 692 1HB SER 94 1HB SER 94 -32.443 9.630 -7.747 693 2HB SER 94 2HB SER 94 -31.613 10.303 -9.157 694 HG SER 94 HG SER 94 -33.385 11.608 -8.519 695 H LYS 95 H LYS 95 -32.842 6.113 -10.146 696 HA LYS 95 HA LYS 95 -29.966 5.480 -9.552 697 1HB LYS 95 1HB LYS 95 -32.439 4.089 -8.493 698 2HB LYS 95 2HB LYS 95 -30.857 3.307 -8.577 699 1HG LYS 95 1HG LYS 95 -29.857 5.130 -7.216 700 2HG LYS 95 2HG LYS 95 -31.448 5.884 -7.046 701 1HD LYS 95 1HD LYS 95 -30.764 3.063 -6.123 702 2HD LYS 95 2HD LYS 95 -30.737 4.502 -5.085 703 1HE LYS 95 1HE LYS 95 -33.133 4.923 -5.606 704 2HE LYS 95 2HE LYS 95 -33.186 3.462 -6.588 705 1HZ LYS 95 1HZ LYS 95 -32.624 3.514 -3.672 706 2HZ LYS 95 2HZ LYS 95 -34.052 3.107 -4.369 707 3HZ LYS 95 3HZ LYS 95 -32.726 2.161 -4.596 708 H CYS 96 H CYS 96 -32.667 5.096 -11.674 709 HA CYS 96 HA CYS 96 -31.037 3.431 -13.481 710 1HB CYS 96 1HB CYS 96 -32.292 1.829 -12.120 711 2HB CYS 96 2HB CYS 96 -33.820 2.634 -12.542 712 HG CYS 96 HG CYS 96 -33.589 0.355 -13.856 713 H CYS 97 H CYS 97 -31.463 3.684 -15.592 714 HA CYS 97 HA CYS 97 -33.493 5.686 -16.490 715 1HB CYS 97 1HB CYS 97 -31.377 6.798 -16.315 716 2HB CYS 97 2HB CYS 97 -30.551 5.490 -17.166 717 HA PRO 98 HA PRO 98 -33.930 1.752 -18.905 718 1HB PRO 98 1HB PRO 98 -36.607 1.985 -19.509 719 2HB PRO 98 2HB PRO 98 -35.979 1.338 -17.963 720 1HG PRO 98 1HG PRO 98 -36.933 4.154 -18.554 721 2HG PRO 98 2HG PRO 98 -37.355 3.109 -17.160 722 1HD PRO 98 1HD PRO 98 -35.444 5.027 -16.990 723 2HD PRO 98 2HD PRO 98 -35.251 3.464 -16.142 724 H VAL 99 H VAL 99 -34.681 5.081 -19.744 725 HA VAL 99 HA VAL 99 -35.105 4.879 -22.555 726 HB VAL 99 HB VAL 99 -33.676 7.117 -21.064 727 1HG1 VAL 99 1HG1 VAL 99 -33.572 7.352 -23.531 728 2HG1 VAL 99 2HG1 VAL 99 -35.343 7.177 -23.611 729 3HG1 VAL 99 3HG1 VAL 99 -34.604 8.578 -22.808 730 1HG2 VAL 99 1HG2 VAL 99 -35.929 8.195 -20.907 731 2HG2 VAL 99 2HG2 VAL 99 -36.664 6.689 -21.492 732 3HG2 VAL 99 3HG2 VAL 99 -35.815 6.734 -19.930 733 H CYS 100 H CYS 100 -32.163 4.818 -20.631 734 HA CYS 100 HA CYS 100 -30.449 4.431 -23.046 735 1HB CYS 100 1HB CYS 100 -29.802 5.525 -20.285 736 2HB CYS 100 2HB CYS 100 -28.665 5.227 -21.576 737 H ASN 101 H ASN 101 -31.846 2.756 -20.656 738 HA ASN 101 HA ASN 101 -31.641 0.817 -19.544 739 1HB ASN 101 1HB ASN 101 -31.869 0.056 -21.905 740 2HB ASN 101 2HB ASN 101 -30.110 -0.043 -22.026 741 1HD2 ASN 101 1HD2 ASN 101 -30.178 -2.323 -22.453 742 2HD2 ASN 101 2HD2 ASN 101 -30.599 -3.460 -21.180 743 H MET 102 H MET 102 -30.250 2.338 -18.238 744 HA MET 102 HA MET 102 -27.856 0.870 -17.301 745 1HB MET 102 1HB MET 102 -26.492 2.988 -17.327 746 2HB MET 102 2HB MET 102 -26.849 2.312 -18.913 747 1HG MET 102 1HG MET 102 -28.664 3.941 -19.231 748 2HG MET 102 2HG MET 102 -28.337 4.650 -17.653 749 1HE MET 102 1HE MET 102 -25.807 5.509 -17.064 750 2HE MET 102 2HE MET 102 -25.395 6.893 -18.108 751 3HE MET 102 3HE MET 102 -27.045 6.727 -17.464 752 H THR 103 H THR 103 -26.932 1.896 -15.287 753 HA THR 103 HA THR 103 -29.051 3.045 -13.512 754 HB THR 103 HB THR 103 -28.142 1.618 -11.704 755 HG1 THR 103 HG1 THR 103 -26.844 -0.134 -12.309 756 1HG2 THR 103 1HG2 THR 103 -29.203 -0.458 -12.375 757 2HG2 THR 103 2HG2 THR 103 -30.149 0.905 -12.992 758 3HG2 THR 103 3HG2 THR 103 -29.102 -0.015 -14.093 759 H PHE 104 H PHE 104 -28.161 3.873 -11.438 760 HA PHE 104 HA PHE 104 -25.518 5.243 -11.770 761 1HB PHE 104 1HB PHE 104 -27.928 6.600 -10.536 762 2HB PHE 104 2HB PHE 104 -26.413 7.297 -11.029 763 HD1 PHE 104 HD1 PHE 104 -25.853 7.376 -13.559 764 HD2 PHE 104 HD2 PHE 104 -29.794 6.598 -12.006 765 HE1 PHE 104 HE1 PHE 104 -26.849 8.095 -15.712 766 HE2 PHE 104 HE2 PHE 104 -30.790 7.275 -14.170 767 HZ PHE 104 HZ PHE 104 -29.317 8.020 -16.034 768 H SER 105 H SER 105 -24.347 5.669 -9.905 769 HA SER 105 HA SER 105 -24.853 3.975 -7.585 770 1HB SER 105 1HB SER 105 -22.685 4.937 -6.817 771 2HB SER 105 2HB SER 105 -22.605 4.217 -8.435 772 HG SER 105 HG SER 105 -21.583 6.285 -8.336 773 H SER 106 H SER 106 -25.560 7.293 -8.371 774 HA SER 106 HA SER 106 -26.741 7.791 -5.731 775 1HB SER 106 1HB SER 106 -24.471 8.457 -5.271 776 2HB SER 106 2HB SER 106 -24.343 9.323 -6.810 777 HG SER 106 HG SER 106 -24.730 10.644 -4.885 778 HA PRO 107 HA PRO 107 -29.609 10.136 -8.277 779 1HB PRO 107 1HB PRO 107 -29.599 12.072 -5.954 780 2HB PRO 107 2HB PRO 107 -30.999 11.429 -6.864 781 1HG PRO 107 1HG PRO 107 -30.373 10.392 -4.451 782 2HG PRO 107 2HG PRO 107 -30.781 9.285 -5.805 783 1HD PRO 107 1HD PRO 107 -28.044 10.058 -4.765 784 2HD PRO 107 2HD PRO 107 -28.678 8.443 -5.205 785 H VAL 108 H VAL 108 -26.833 11.786 -6.811 786 HA VAL 108 HA VAL 108 -26.920 14.233 -8.306 787 HB VAL 108 HB VAL 108 -24.513 12.754 -7.164 788 1HG1 VAL 108 1HG1 VAL 108 -24.854 15.681 -7.959 789 2HG1 VAL 108 2HG1 VAL 108 -23.465 15.013 -7.075 790 3HG1 VAL 108 3HG1 VAL 108 -23.774 14.498 -8.731 791 1HG2 VAL 108 1HG2 VAL 108 -26.170 13.242 -5.401 792 2HG2 VAL 108 2HG2 VAL 108 -24.775 14.305 -5.236 793 3HG2 VAL 108 3HG2 VAL 108 -26.279 14.928 -5.950 794 H VAL 109 H VAL 109 -25.603 11.025 -9.082 795 HA VAL 109 HA VAL 109 -24.329 11.850 -11.582 796 HB VAL 109 HB VAL 109 -25.156 9.053 -10.701 797 1HG1 VAL 109 1HG1 VAL 109 -24.555 9.262 -13.115 798 2HG1 VAL 109 2HG1 VAL 109 -23.012 10.002 -12.656 799 3HG1 VAL 109 3HG1 VAL 109 -23.361 8.315 -12.219 800 1HG2 VAL 109 1HG2 VAL 109 -22.806 8.786 -9.938 801 2HG2 VAL 109 2HG2 VAL 109 -22.520 10.516 -10.232 802 3HG2 VAL 109 3HG2 VAL 109 -23.667 9.988 -8.980 803 H ALA 110 H ALA 110 -27.448 10.389 -10.618 804 HA ALA 110 HA ALA 110 -28.493 9.892 -13.209 805 1HB ALA 110 1HB ALA 110 -29.377 9.017 -11.036 806 2HB ALA 110 2HB ALA 110 -30.030 10.630 -10.693 807 3HB ALA 110 3HB ALA 110 -30.624 9.716 -12.091 808 H GLU 111 H GLU 111 -28.994 12.825 -11.102 809 HA GLU 111 HA GLU 111 -30.516 14.214 -13.101 810 1HB GLU 111 1HB GLU 111 -30.247 16.191 -11.819 811 2HB GLU 111 2HB GLU 111 -30.593 14.830 -10.751 812 1HG GLU 111 1HG GLU 111 -28.187 14.750 -10.126 813 2HG GLU 111 2HG GLU 111 -27.876 16.149 -11.156 814 H SER 112 H SER 112 -27.030 14.204 -12.444 815 HA SER 112 HA SER 112 -26.234 16.169 -14.353 816 1HB SER 112 1HB SER 112 -24.702 13.711 -13.416 817 2HB SER 112 2HB SER 112 -24.024 15.080 -14.311 818 HG SER 112 HG SER 112 -25.025 14.986 -11.670 819 H HIS 113 H HIS 113 -26.862 12.668 -14.764 820 HA HIS 113 HA HIS 113 -26.042 12.538 -17.536 821 1HB HIS 113 1HB HIS 113 -26.118 10.531 -16.220 822 2HB HIS 113 2HB HIS 113 -27.796 10.798 -15.765 823 HD1 HIS 113 HD1 HIS 113 -25.745 9.548 -18.760 824 HD2 HIS 113 HD2 HIS 113 -29.715 10.107 -17.481 825 HE1 HIS 113 HE1 HIS 113 -27.230 8.303 -20.430 826 H TYR 114 H TYR 114 -29.294 12.877 -15.965 827 HA TYR 114 HA TYR 114 -30.781 12.995 -18.371 828 1HB TYR 114 1HB TYR 114 -31.379 14.247 -15.668 829 2HB TYR 114 2HB TYR 114 -32.539 14.083 -16.975 830 HD1 TYR 114 HD1 TYR 114 -32.055 11.315 -17.973 831 HD2 TYR 114 HD2 TYR 114 -32.269 12.873 -13.953 832 HE1 TYR 114 HE1 TYR 114 -32.751 9.090 -17.141 833 HE2 TYR 114 HE2 TYR 114 -32.969 10.636 -13.128 834 HH TYR 114 HH TYR 114 -33.470 8.454 -13.701 835 H ILE 115 H ILE 115 -29.201 15.720 -16.648 836 HA ILE 115 HA ILE 115 -30.313 17.647 -18.575 837 HB ILE 115 HB ILE 115 -29.106 19.359 -17.398 838 1HG1 ILE 115 1HG1 ILE 115 -28.000 18.655 -15.132 839 2HG1 ILE 115 2HG1 ILE 115 -27.709 17.113 -15.925 840 1HG2 ILE 115 1HG2 ILE 115 -30.288 19.231 -15.299 841 2HG2 ILE 115 2HG2 ILE 115 -31.292 18.545 -16.584 842 3HG2 ILE 115 3HG2 ILE 115 -30.459 17.472 -15.437 843 1HD1 ILE 115 1HD1 ILE 115 -26.748 19.806 -16.973 844 2HD1 ILE 115 2HD1 ILE 115 -25.783 18.686 -15.994 845 3HD1 ILE 115 3HD1 ILE 115 -26.301 18.203 -17.609 846 H GLY 116 H GLY 116 -27.760 15.473 -18.797 847 1HA GLY 116 1HA GLY 116 -26.013 17.196 -20.458 848 2HA GLY 116 2HA GLY 116 -25.665 15.578 -19.874 849 H LYS 117 H LYS 117 -25.155 16.401 -22.454 850 HA LYS 117 HA LYS 117 -27.099 15.811 -24.417 851 1HB LYS 117 1HB LYS 117 -24.911 17.003 -24.743 852 2HB LYS 117 2HB LYS 117 -24.069 15.469 -24.560 853 1HG LYS 117 1HG LYS 117 -24.198 16.060 -26.886 854 2HG LYS 117 2HG LYS 117 -25.174 14.617 -26.625 855 1HD LYS 117 1HD LYS 117 -27.242 15.970 -26.694 856 2HD LYS 117 2HD LYS 117 -26.278 17.461 -26.803 857 1HE LYS 117 1HE LYS 117 -25.281 16.608 -28.940 858 2HE LYS 117 2HE LYS 117 -26.328 15.188 -28.841 859 1HZ LYS 117 1HZ LYS 117 -27.278 18.001 -29.050 860 2HZ LYS 117 2HZ LYS 117 -27.284 16.917 -30.265 861 3HZ LYS 117 3HZ LYS 117 -28.254 16.692 -28.972 862 H THR 118 H THR 118 -25.100 13.555 -22.581 863 HA THR 118 HA THR 118 -25.219 11.246 -24.155 864 HB THR 118 HB THR 118 -25.508 11.296 -21.128 865 HG1 THR 118 HG1 THR 118 -23.247 11.413 -21.124 866 1HG2 THR 118 1HG2 THR 118 -24.114 9.253 -21.238 867 2HG2 THR 118 2HG2 THR 118 -25.615 9.032 -22.149 868 3HG2 THR 118 3HG2 THR 118 -24.096 9.351 -23.014 869 H HIS 119 H HIS 119 -27.713 12.411 -21.822 870 HA HIS 119 HA HIS 119 -29.515 10.175 -22.302 871 1HB HIS 119 1HB HIS 119 -29.456 11.591 -20.242 872 2HB HIS 119 2HB HIS 119 -30.110 12.939 -21.172 873 HD2 HIS 119 HD2 HIS 119 -32.700 13.098 -21.104 874 HE1 HIS 119 HE1 HIS 119 -33.644 9.107 -19.941 875 HE2 HIS 119 HE2 HIS 119 -34.608 11.413 -20.411 876 H ILE 120 H ILE 120 -29.314 13.524 -23.510 877 HA ILE 120 HA ILE 120 -31.656 13.516 -25.113 878 HB ILE 120 HB ILE 120 -29.147 15.185 -25.379 879 1HG1 ILE 120 1HG1 ILE 120 -31.785 15.606 -23.882 880 2HG1 ILE 120 2HG1 ILE 120 -30.208 15.333 -23.158 881 1HG2 ILE 120 1HG2 ILE 120 -31.943 15.679 -26.508 882 2HG2 ILE 120 2HG2 ILE 120 -30.564 16.794 -26.614 883 3HG2 ILE 120 3HG2 ILE 120 -30.506 15.265 -27.466 884 1HD1 ILE 120 1HD1 ILE 120 -29.383 17.484 -24.152 885 2HD1 ILE 120 2HD1 ILE 120 -31.060 17.827 -24.654 886 3HD1 ILE 120 3HD1 ILE 120 -30.668 17.650 -22.940 887 H LYS 121 H LYS 121 -28.397 12.364 -25.885 888 HA LYS 121 HA LYS 121 -28.726 11.904 -28.687 889 1HB LYS 121 1HB LYS 121 -26.590 11.769 -27.390 890 2HB LYS 121 2HB LYS 121 -27.159 10.274 -26.634 891 1HG LYS 121 1HG LYS 121 -27.247 9.176 -28.857 892 2HG LYS 121 2HG LYS 121 -26.710 10.690 -29.623 893 1HD LYS 121 1HD LYS 121 -24.599 10.582 -28.355 894 2HD LYS 121 2HD LYS 121 -25.149 9.086 -27.559 895 1HE LYS 121 1HE LYS 121 -25.309 7.974 -29.777 896 2HE LYS 121 2HE LYS 121 -24.750 9.456 -30.563 897 1HZ LYS 121 1HZ LYS 121 -22.652 9.234 -29.337 898 2HZ LYS 121 2HZ LYS 121 -23.170 7.864 -28.610 899 3HZ LYS 121 3HZ LYS 121 -22.925 7.892 -30.222 900 H ASN 122 H ASN 122 -29.776 9.972 -25.880 901 HA ASN 122 HA ASN 122 -30.912 7.865 -27.586 902 1HB ASN 122 1HB ASN 122 -30.707 8.316 -24.611 903 2HB ASN 122 2HB ASN 122 -31.954 7.247 -25.247 904 1HD2 ASN 122 1HD2 ASN 122 -31.313 5.163 -25.070 905 2HD2 ASN 122 2HD2 ASN 122 -29.700 4.597 -25.503 906 H LEU 123 H LEU 123 -32.183 10.810 -25.939 907 HA LEU 123 HA LEU 123 -34.963 10.268 -26.349 908 1HB LEU 123 1HB LEU 123 -33.577 12.968 -26.642 909 2HB LEU 123 2HB LEU 123 -35.295 12.700 -26.433 910 HG LEU 123 HG LEU 123 -33.157 12.139 -24.348 911 1HD1 LEU 123 1HD1 LEU 123 -35.358 14.239 -24.424 912 2HD1 LEU 123 2HD1 LEU 123 -34.092 14.053 -23.189 913 3HD1 LEU 123 3HD1 LEU 123 -33.666 14.557 -24.834 914 1HD2 LEU 123 1HD2 LEU 123 -34.992 10.582 -24.017 915 2HD2 LEU 123 2HD2 LEU 123 -35.033 11.861 -22.793 916 3HD2 LEU 123 3HD2 LEU 123 -36.176 11.909 -24.154 917 H ARG 124 H ARG 124 -32.551 11.745 -28.554 918 HA ARG 124 HA ARG 124 -34.183 12.158 -30.825 919 1HB ARG 124 1HB ARG 124 -31.866 13.052 -30.291 920 2HB ARG 124 2HB ARG 124 -31.212 11.453 -30.668 921 1HG ARG 124 1HG ARG 124 -32.171 11.656 -32.975 922 2HG ARG 124 2HG ARG 124 -32.791 13.256 -32.529 923 1HD ARG 124 1HD ARG 124 -30.755 13.547 -33.795 924 2HD ARG 124 2HD ARG 124 -30.450 14.020 -32.113 925 HE ARG 124 HE ARG 124 -29.763 11.258 -32.467 926 1HH1 ARG 124 1HH1 ARG 124 -28.515 14.385 -33.424 927 2HH1 ARG 124 2HH1 ARG 124 -26.878 13.797 -33.545 928 1HH2 ARG 124 1HH2 ARG 124 -27.663 10.568 -32.659 929 2HH2 ARG 124 2HH2 ARG 124 -26.417 11.690 -33.123 930 H LEU 125 H LEU 125 -32.353 9.264 -29.825 931 HA LEU 125 HA LEU 125 -32.930 7.719 -32.197 932 1HB LEU 125 1HB LEU 125 -30.983 7.359 -30.701 933 2HB LEU 125 2HB LEU 125 -32.068 6.891 -29.393 934 HG LEU 125 HG LEU 125 -32.790 4.897 -30.663 935 1HD1 LEU 125 1HD1 LEU 125 -31.497 4.205 -32.678 936 2HD1 LEU 125 2HD1 LEU 125 -32.473 5.643 -32.983 937 3HD1 LEU 125 3HD1 LEU 125 -30.721 5.804 -32.717 938 1HD2 LEU 125 1HD2 LEU 125 -30.879 4.779 -29.108 939 2HD2 LEU 125 2HD2 LEU 125 -30.678 3.660 -30.465 940 3HD2 LEU 125 3HD2 LEU 125 -29.766 5.186 -30.433 941 H ARG 126 H ARG 126 -34.513 7.989 -29.019 942 HA ARG 126 HA ARG 126 -36.448 5.847 -29.405 943 1HB ARG 126 1HB ARG 126 -36.298 8.211 -27.485 944 2HB ARG 126 2HB ARG 126 -37.515 6.948 -27.369 945 1HG ARG 126 1HG ARG 126 -34.537 6.301 -27.262 946 2HG ARG 126 2HG ARG 126 -35.462 6.793 -25.844 947 1HD ARG 126 1HD ARG 126 -36.990 4.875 -26.181 948 2HD ARG 126 2HD ARG 126 -36.028 4.372 -27.591 949 HE ARG 126 HE ARG 126 -34.306 4.678 -25.313 950 1HH1 ARG 126 1HH1 ARG 126 -36.747 2.428 -26.450 951 2HH1 ARG 126 2HH1 ARG 126 -36.054 1.103 -25.554 952 1HH2 ARG 126 1HH2 ARG 126 -33.518 3.006 -24.201 953 2HH2 ARG 126 2HH2 ARG 126 -34.280 1.437 -24.263 954 H GLU 127 H GLU 127 -36.499 9.293 -30.127 955 HA GLU 127 HA GLU 127 -39.350 9.102 -31.041 956 1HB GLU 127 1HB GLU 127 -37.737 11.538 -30.198 957 2HB GLU 127 2HB GLU 127 -39.420 11.536 -30.738 958 1HG GLU 127 1HG GLU 127 -39.982 9.987 -28.830 959 2HG GLU 127 2HG GLU 127 -38.345 10.217 -28.214 960 H GLN 128 H GLN 128 -36.711 8.493 -32.508 961 HA GLN 128 HA GLN 128 -35.973 10.132 -34.515 962 1HB GLN 128 1HB GLN 128 -35.185 8.235 -35.653 963 2HB GLN 128 2HB GLN 128 -35.158 7.814 -33.955 964 1HG GLN 128 1HG GLN 128 -37.032 6.826 -36.128 965 2HG GLN 128 2HG GLN 128 -35.926 5.893 -35.132 966 1HE2 GLN 128 1HE2 GLN 128 -36.518 5.886 -32.643 967 2HE2 GLN 128 2HE2 GLN 128 -38.249 5.800 -32.315 Start of MODEL 7 1 1H ALA 2 1H ALA 2 -17.688 -10.945 5.192 2 HA ALA 2 HA ALA 2 -19.425 -11.868 7.294 3 1HB ALA 2 1HB ALA 2 -19.453 -12.737 4.987 4 2HB ALA 2 2HB ALA 2 -17.809 -13.388 5.203 5 3HB ALA 2 3HB ALA 2 -19.160 -14.035 6.158 6 H ASP 3 H ASP 3 -15.871 -11.840 7.078 7 HA ASP 3 HA ASP 3 -15.535 -13.968 9.067 8 1HB ASP 3 1HB ASP 3 -13.877 -13.410 7.255 9 2HB ASP 3 2HB ASP 3 -13.508 -11.910 8.118 10 H GLU 4 H GLU 4 -14.633 -13.653 11.238 11 HA GLU 4 HA GLU 4 -15.942 -11.664 12.795 12 1HB GLU 4 1HB GLU 4 -13.488 -13.356 13.422 13 2HB GLU 4 2HB GLU 4 -14.380 -12.384 14.599 14 1HG GLU 4 1HG GLU 4 -16.449 -13.690 14.098 15 2HG GLU 4 2HG GLU 4 -15.522 -14.715 12.999 16 H PHE 5 H PHE 5 -12.630 -11.650 11.404 17 HA PHE 5 HA PHE 5 -12.529 -8.730 11.731 18 1HB PHE 5 1HB PHE 5 -11.715 -10.009 13.922 19 2HB PHE 5 2HB PHE 5 -10.250 -10.252 13.004 20 HD1 PHE 5 HD1 PHE 5 -12.526 -7.767 14.551 21 HD2 PHE 5 HD2 PHE 5 -8.692 -8.362 12.669 22 HE1 PHE 5 HE1 PHE 5 -11.794 -5.520 15.326 23 HE2 PHE 5 HE2 PHE 5 -7.969 -6.111 13.435 24 HZ PHE 5 HZ PHE 5 -9.519 -4.690 14.767 25 H GLY 6 H GLY 6 -11.695 -11.394 9.861 26 1HA GLY 6 1HA GLY 6 -9.147 -10.391 8.831 27 2HA GLY 6 2HA GLY 6 -10.001 -11.855 8.380 28 H ASN 7 H ASN 7 -12.425 -9.719 7.765 29 HA ASN 7 HA ASN 7 -11.307 -8.589 5.299 30 1HB ASN 7 1HB ASN 7 -12.768 -9.786 3.758 31 2HB ASN 7 2HB ASN 7 -11.715 -10.877 4.624 32 1HD2 ASN 7 1HD2 ASN 7 -13.119 -12.611 4.002 33 2HD2 ASN 7 2HD2 ASN 7 -14.638 -12.849 4.849 34 H GLY 8 H GLY 8 -12.826 -7.526 3.911 35 1HA GLY 8 1HA GLY 8 -15.346 -6.511 4.416 36 2HA GLY 8 2HA GLY 8 -14.233 -5.396 5.216 37 H ASP 9 H ASP 9 -15.440 -4.105 3.286 38 HA ASP 9 HA ASP 9 -13.459 -3.843 1.096 39 1HB ASP 9 1HB ASP 9 -14.958 -5.660 0.325 40 2HB ASP 9 2HB ASP 9 -16.355 -4.615 0.550 41 H ALA 10 H ALA 10 -16.681 -2.688 2.234 42 HA ALA 10 HA ALA 10 -16.658 -0.297 0.682 43 1HB ALA 10 1HB ALA 10 -18.677 -1.497 1.517 44 2HB ALA 10 2HB ALA 10 -18.275 -0.978 3.174 45 3HB ALA 10 3HB ALA 10 -18.688 0.221 1.935 46 H LEU 11 H LEU 11 -17.126 1.853 1.707 47 HA LEU 11 HA LEU 11 -15.331 2.596 3.960 48 1HB LEU 11 1HB LEU 11 -14.114 3.201 1.972 49 2HB LEU 11 2HB LEU 11 -15.549 3.909 1.232 50 HG LEU 11 HG LEU 11 -15.541 5.765 2.886 51 1HD1 LEU 11 1HD1 LEU 11 -12.963 4.519 3.937 52 2HD1 LEU 11 2HD1 LEU 11 -13.628 6.110 4.381 53 3HD1 LEU 11 3HD1 LEU 11 -14.493 4.643 4.833 54 1HD2 LEU 11 1HD2 LEU 11 -13.527 6.871 2.055 55 2HD2 LEU 11 2HD2 LEU 11 -12.834 5.314 1.557 56 3HD2 LEU 11 3HD2 LEU 11 -14.291 5.945 0.758 57 H ASP 12 H ASP 12 -16.524 3.365 5.477 58 HA ASP 12 HA ASP 12 -18.750 5.264 4.988 59 1HB ASP 12 1HB ASP 12 -19.793 3.047 5.230 60 2HB ASP 12 2HB ASP 12 -18.930 2.782 6.745 61 H LEU 13 H LEU 13 -16.912 6.613 5.451 62 HA LEU 13 HA LEU 13 -15.220 6.596 7.512 63 1HB LEU 13 1HB LEU 13 -14.897 8.955 7.317 64 2HB LEU 13 2HB LEU 13 -14.870 8.071 5.804 65 HG LEU 13 HG LEU 13 -17.283 9.717 6.696 66 1HD1 LEU 13 1HD1 LEU 13 -16.436 11.506 5.292 67 2HD1 LEU 13 2HD1 LEU 13 -15.234 11.124 6.534 68 3HD1 LEU 13 3HD1 LEU 13 -15.004 10.551 4.865 69 1HD2 LEU 13 1HD2 LEU 13 -17.618 9.780 4.150 70 2HD2 LEU 13 2HD2 LEU 13 -16.407 8.480 4.034 71 3HD2 LEU 13 3HD2 LEU 13 -17.936 8.234 4.915 72 HA PRO 14 HA PRO 14 -17.564 6.499 11.265 73 1HB PRO 14 1HB PRO 14 -14.948 7.634 12.313 74 2HB PRO 14 2HB PRO 14 -15.965 6.364 13.041 75 1HG PRO 14 1HG PRO 14 -13.812 5.664 11.584 76 2HG PRO 14 2HG PRO 14 -15.366 4.801 11.322 77 1HD PRO 14 1HD PRO 14 -14.132 7.007 9.680 78 2HD PRO 14 2HD PRO 14 -14.971 5.509 9.175 79 H VAL 15 H VAL 15 -18.166 7.608 13.173 80 HA VAL 15 HA VAL 15 -17.881 10.511 13.373 81 HB VAL 15 HB VAL 15 -19.857 10.028 11.886 82 1HG1 VAL 15 1HG1 VAL 15 -21.958 9.273 12.815 83 2HG1 VAL 15 2HG1 VAL 15 -20.730 8.018 13.023 84 3HG1 VAL 15 3HG1 VAL 15 -21.224 9.020 14.408 85 1HG2 VAL 15 1HG2 VAL 15 -20.638 11.525 14.402 86 2HG2 VAL 15 2HG2 VAL 15 -19.627 12.169 13.088 87 3HG2 VAL 15 3HG2 VAL 15 -21.304 11.698 12.772 88 H GLY 16 H GLY 16 -17.090 8.048 14.776 89 1HA GLY 16 1HA GLY 16 -16.892 8.853 17.410 90 2HA GLY 16 2HA GLY 16 -18.376 7.895 17.374 91 H LYS 17 H LYS 17 -16.333 7.019 18.958 92 HA LYS 17 HA LYS 17 -14.371 5.340 17.830 93 1HB LYS 17 1HB LYS 17 -14.277 6.054 20.127 94 2HB LYS 17 2HB LYS 17 -15.742 5.151 20.538 95 1HG LYS 17 1HG LYS 17 -14.669 3.052 20.323 96 2HG LYS 17 2HG LYS 17 -13.355 3.705 19.347 97 1HD LYS 17 1HD LYS 17 -12.602 3.056 21.567 98 2HD LYS 17 2HD LYS 17 -12.340 4.772 21.249 99 1HE LYS 17 1HE LYS 17 -14.201 5.408 22.649 100 2HE LYS 17 2HE LYS 17 -14.728 3.726 22.826 101 1HZ LYS 17 1HZ LYS 17 -12.052 4.644 23.743 102 2HZ LYS 17 2HZ LYS 17 -13.370 4.634 24.734 103 3HZ LYS 17 3HZ LYS 17 -12.789 3.243 24.103 104 H ASP 18 H ASP 18 -17.751 4.490 18.523 105 HA ASP 18 HA ASP 18 -17.553 1.674 18.157 106 1HB ASP 18 1HB ASP 18 -19.839 3.585 17.522 107 2HB ASP 18 2HB ASP 18 -19.974 1.828 17.524 108 H ALA 19 H ALA 19 -18.126 4.246 15.698 109 HA ALA 19 HA ALA 19 -18.173 2.377 13.477 110 1HB ALA 19 1HB ALA 19 -17.876 5.397 13.616 111 2HB ALA 19 2HB ALA 19 -18.018 4.451 12.107 112 3HB ALA 19 3HB ALA 19 -19.350 4.469 13.283 113 H VAL 20 H VAL 20 -15.574 4.359 15.003 114 HA VAL 20 HA VAL 20 -13.552 3.790 13.024 115 HB VAL 20 HB VAL 20 -13.266 4.411 15.991 116 1HG1 VAL 20 1HG1 VAL 20 -11.170 4.114 13.810 117 2HG1 VAL 20 2HG1 VAL 20 -10.874 5.021 15.305 118 3HG1 VAL 20 3HG1 VAL 20 -11.233 3.296 15.384 119 1HG2 VAL 20 1HG2 VAL 20 -12.606 6.648 15.227 120 2HG2 VAL 20 2HG2 VAL 20 -12.787 6.167 13.538 121 3HG2 VAL 20 3HG2 VAL 20 -14.204 6.275 14.603 122 H ASN 21 H ASN 21 -14.550 1.965 15.958 123 HA ASN 21 HA ASN 21 -12.619 -0.127 15.751 124 1HB ASN 21 1HB ASN 21 -13.909 0.191 17.759 125 2HB ASN 21 2HB ASN 21 -15.435 0.049 16.899 126 1HD2 ASN 21 1HD2 ASN 21 -16.346 -1.960 16.624 127 2HD2 ASN 21 2HD2 ASN 21 -15.562 -3.447 17.147 128 H SER 22 H SER 22 -15.924 0.124 14.292 129 HA SER 22 HA SER 22 -15.821 -2.389 12.909 130 1HB SER 22 1HB SER 22 -17.384 0.143 12.274 131 2HB SER 22 2HB SER 22 -17.639 -1.442 11.515 132 HG SER 22 HG SER 22 -19.054 -1.083 13.305 133 H LEU 23 H LEU 23 -14.765 0.900 11.935 134 HA LEU 23 HA LEU 23 -14.138 0.262 9.221 135 1HB LEU 23 1HB LEU 23 -14.339 2.586 10.400 136 2HB LEU 23 2HB LEU 23 -12.693 2.305 10.960 137 HG LEU 23 HG LEU 23 -12.150 1.894 8.428 138 1HD1 LEU 23 1HD1 LEU 23 -14.476 1.822 7.608 139 2HD1 LEU 23 2HD1 LEU 23 -14.759 3.463 8.216 140 3HD1 LEU 23 3HD1 LEU 23 -13.608 3.185 6.886 141 1HD2 LEU 23 1HD2 LEU 23 -12.814 4.647 9.515 142 2HD2 LEU 23 2HD2 LEU 23 -11.269 3.784 9.638 143 3HD2 LEU 23 3HD2 LEU 23 -11.850 4.337 8.057 144 H ILE 24 H ILE 24 -12.124 0.158 12.188 145 HA ILE 24 HA ILE 24 -9.723 -0.771 10.886 146 HB ILE 24 HB ILE 24 -10.657 -0.994 13.770 147 1HG1 ILE 24 1HG1 ILE 24 -8.522 0.834 12.563 148 2HG1 ILE 24 2HG1 ILE 24 -10.192 1.336 12.757 149 1HG2 ILE 24 1HG2 ILE 24 -8.267 -1.513 14.314 150 2HG2 ILE 24 2HG2 ILE 24 -8.990 -2.768 13.328 151 3HG2 ILE 24 3HG2 ILE 24 -7.905 -1.584 12.575 152 1HD1 ILE 24 1HD1 ILE 24 -10.015 0.867 15.231 153 2HD1 ILE 24 2HD1 ILE 24 -8.266 0.617 14.996 154 3HD1 ILE 24 3HD1 ILE 24 -8.995 2.185 14.637 155 H ARG 25 H ARG 25 -12.474 -2.540 12.418 156 HA ARG 25 HA ARG 25 -11.472 -5.198 12.078 157 1HB ARG 25 1HB ARG 25 -13.422 -4.778 13.460 158 2HB ARG 25 2HB ARG 25 -14.300 -4.052 12.105 159 1HG ARG 25 1HG ARG 25 -14.342 -6.211 10.951 160 2HG ARG 25 2HG ARG 25 -13.504 -6.943 12.335 161 1HD ARG 25 1HD ARG 25 -15.419 -6.619 13.739 162 2HD ARG 25 2HD ARG 25 -16.192 -5.551 12.560 163 HE ARG 25 HE ARG 25 -15.788 -8.508 12.305 164 1HH1 ARG 25 1HH1 ARG 25 -17.478 -5.666 11.079 165 2HH1 ARG 25 2HH1 ARG 25 -18.330 -6.596 9.879 166 1HH2 ARG 25 1HH2 ARG 25 -16.767 -9.552 10.583 167 2HH2 ARG 25 2HH2 ARG 25 -17.941 -8.735 9.616 168 H GLU 26 H GLU 26 -13.454 -3.243 9.851 169 HA GLU 26 HA GLU 26 -13.592 -5.277 7.795 170 1HB GLU 26 1HB GLU 26 -14.221 -2.307 7.876 171 2HB GLU 26 2HB GLU 26 -14.530 -3.323 6.457 172 1HG GLU 26 1HG GLU 26 -16.063 -4.730 7.663 173 2HG GLU 26 2HG GLU 26 -15.646 -4.013 9.206 174 H ASN 27 H ASN 27 -11.087 -3.082 8.587 175 HA ASN 27 HA ASN 27 -9.718 -3.569 5.972 176 1HB ASN 27 1HB ASN 27 -9.891 -0.996 7.551 177 2HB ASN 27 2HB ASN 27 -8.899 -1.219 6.120 178 1HD2 ASN 27 1HD2 ASN 27 -12.097 -0.612 7.294 179 2HD2 ASN 27 2HD2 ASN 27 -12.839 -0.406 5.697 180 H SER 28 H SER 28 -9.441 -5.003 8.549 181 HA SER 28 HA SER 28 -7.266 -4.258 10.114 182 1HB SER 28 1HB SER 28 -7.158 -6.643 10.736 183 2HB SER 28 2HB SER 28 -8.820 -6.027 10.676 184 HG SER 28 HG SER 28 -8.942 -7.862 9.574 185 H HIS 29 H HIS 29 -7.118 -5.443 6.891 186 HA HIS 29 HA HIS 29 -4.347 -6.350 6.870 187 1HB HIS 29 1HB HIS 29 -4.804 -6.322 4.348 188 2HB HIS 29 2HB HIS 29 -5.778 -7.396 5.338 189 HD2 HIS 29 HD2 HIS 29 -8.387 -7.029 5.442 190 HE1 HIS 29 HE1 HIS 29 -8.648 -3.626 2.883 191 HE2 HIS 29 HE2 HIS 29 -9.991 -5.391 4.132 192 H ILE 30 H ILE 30 -5.737 -3.226 6.866 193 HA ILE 30 HA ILE 30 -3.149 -1.990 6.049 194 HB ILE 30 HB ILE 30 -4.435 -0.204 4.858 195 1HG1 ILE 30 1HG1 ILE 30 -6.742 -2.195 5.000 196 2HG1 ILE 30 2HG1 ILE 30 -6.665 -0.631 5.796 197 1HG2 ILE 30 1HG2 ILE 30 -3.161 -2.026 3.726 198 2HG2 ILE 30 2HG2 ILE 30 -4.674 -2.943 3.574 199 3HG2 ILE 30 3HG2 ILE 30 -4.486 -1.375 2.766 200 1HD1 ILE 30 1HD1 ILE 30 -8.076 -0.489 3.844 201 2HD1 ILE 30 2HD1 ILE 30 -6.619 0.471 3.560 202 3HD1 ILE 30 3HD1 ILE 30 -6.799 -1.127 2.798 203 H PHE 31 H PHE 31 -5.901 -1.878 8.182 204 HA PHE 31 HA PHE 31 -4.812 0.576 9.533 205 1HB PHE 31 1HB PHE 31 -7.630 -0.540 9.641 206 2HB PHE 31 2HB PHE 31 -7.069 0.924 10.408 207 HD1 PHE 31 HD1 PHE 31 -9.526 0.886 8.971 208 HD2 PHE 31 HD2 PHE 31 -5.552 1.633 7.477 209 HE1 PHE 31 HE1 PHE 31 -10.482 1.904 6.916 210 HE2 PHE 31 HE2 PHE 31 -6.515 2.636 5.432 211 HZ PHE 31 HZ PHE 31 -8.987 2.672 5.114 212 H SER 32 H SER 32 -4.812 0.536 11.809 213 HA SER 32 HA SER 32 -5.526 -1.892 13.298 214 1HB SER 32 1HB SER 32 -3.306 -2.346 14.154 215 2HB SER 32 2HB SER 32 -3.254 -2.420 12.389 216 HG SER 32 HG SER 32 -2.449 -0.265 12.405 217 H ASP 33 H ASP 33 -4.888 -1.639 15.654 218 HA ASP 33 HA ASP 33 -6.039 0.691 16.772 219 1HB ASP 33 1HB ASP 33 -5.907 -1.605 17.757 220 2HB ASP 33 2HB ASP 33 -4.181 -1.369 18.030 221 H THR 34 H THR 34 -2.750 0.228 15.686 222 HA THR 34 HA THR 34 -1.913 2.782 16.988 223 HB THR 34 HB THR 34 0.338 1.809 17.361 224 HG1 THR 34 HG1 THR 34 0.527 -0.441 17.274 225 1HG2 THR 34 1HG2 THR 34 -0.183 0.533 19.338 226 2HG2 THR 34 2HG2 THR 34 -1.346 1.862 19.196 227 3HG2 THR 34 3HG2 THR 34 -1.833 0.206 18.768 228 H GLN 35 H GLN 35 -2.333 1.471 13.932 229 HA GLN 35 HA GLN 35 -0.630 3.550 12.785 230 1HB GLN 35 1HB GLN 35 0.945 1.575 13.250 231 2HB GLN 35 2HB GLN 35 -0.039 0.614 12.154 232 1HG GLN 35 1HG GLN 35 0.564 2.308 10.317 233 2HG GLN 35 2HG GLN 35 1.665 3.051 11.480 234 1HE2 GLN 35 1HE2 GLN 35 3.783 2.189 11.452 235 2HE2 GLN 35 2HE2 GLN 35 4.165 0.624 10.752 236 H CYS 36 H CYS 36 -1.139 4.092 10.704 237 HA CYS 36 HA CYS 36 -3.209 2.491 9.215 238 1HB CYS 36 1HB CYS 36 -4.113 4.681 9.993 239 2HB CYS 36 2HB CYS 36 -2.773 5.500 9.175 240 H LYS 37 H LYS 37 -2.199 1.471 7.542 241 HA LYS 37 HA LYS 37 0.385 2.414 6.487 242 1HB LYS 37 1HB LYS 37 -1.420 0.066 5.784 243 2HB LYS 37 2HB LYS 37 0.116 0.416 4.980 244 1HG LYS 37 1HG LYS 37 1.318 0.301 7.140 245 2HG LYS 37 2HG LYS 37 -0.204 -0.089 7.976 246 1HD LYS 37 1HD LYS 37 -0.440 -2.147 6.695 247 2HD LYS 37 2HD LYS 37 0.924 -1.703 5.664 248 1HE LYS 37 1HE LYS 37 1.592 -3.425 7.251 249 2HE LYS 37 2HE LYS 37 2.500 -1.933 7.505 250 1HZ LYS 37 1HZ LYS 37 0.137 -2.695 9.139 251 2HZ LYS 37 2HZ LYS 37 1.683 -2.987 9.580 252 3HZ LYS 37 3HZ LYS 37 1.183 -1.449 9.427 253 H VAL 38 H VAL 38 -2.958 2.734 5.369 254 HA VAL 38 HA VAL 38 -2.355 3.398 2.618 255 HB VAL 38 HB VAL 38 -4.678 4.195 4.419 256 1HG1 VAL 38 1HG1 VAL 38 -4.341 4.674 1.430 257 2HG1 VAL 38 2HG1 VAL 38 -5.872 4.798 2.322 258 3HG1 VAL 38 3HG1 VAL 38 -4.568 5.909 2.692 259 1HG2 VAL 38 1HG2 VAL 38 -4.569 1.811 3.886 260 2HG2 VAL 38 2HG2 VAL 38 -5.891 2.557 2.974 261 3HG2 VAL 38 3HG2 VAL 38 -4.361 2.168 2.163 262 H CYS 39 H CYS 39 -2.549 5.355 5.575 263 HA CYS 39 HA CYS 39 -1.729 7.828 4.161 264 1HB CYS 39 1HB CYS 39 -2.695 7.244 6.970 265 2HB CYS 39 2HB CYS 39 -2.451 8.840 6.265 266 H SER 40 H SER 40 -0.099 5.260 5.296 267 HA SER 40 HA SER 40 1.713 4.715 6.520 268 1HB SER 40 1HB SER 40 2.819 6.994 4.814 269 2HB SER 40 2HB SER 40 3.783 5.704 5.559 270 HG SER 40 HG SER 40 3.268 5.263 3.361 271 H ALA 41 H ALA 41 0.446 5.752 8.381 272 HA ALA 41 HA ALA 41 2.304 7.561 9.880 273 1HB ALA 41 1HB ALA 41 0.361 8.869 10.659 274 2HB ALA 41 2HB ALA 41 0.511 8.937 8.893 275 3HB ALA 41 3HB ALA 41 -0.717 7.890 9.642 276 H VAL 42 H VAL 42 2.417 7.338 12.037 277 HA VAL 42 HA VAL 42 1.309 4.863 13.249 278 HB VAL 42 HB VAL 42 3.427 6.820 14.259 279 1HG1 VAL 42 1HG1 VAL 42 2.601 4.086 15.342 280 2HG1 VAL 42 2HG1 VAL 42 4.014 5.020 15.873 281 3HG1 VAL 42 3HG1 VAL 42 2.400 5.650 16.167 282 1HG2 VAL 42 1HG2 VAL 42 4.209 5.550 12.279 283 2HG2 VAL 42 2HG2 VAL 42 5.025 4.994 13.738 284 3HG2 VAL 42 3HG2 VAL 42 3.703 4.029 13.050 285 H LEU 43 H LEU 43 0.146 4.886 15.140 286 HA LEU 43 HA LEU 43 -1.249 7.411 15.934 287 1HB LEU 43 1HB LEU 43 -2.430 4.638 15.499 288 2HB LEU 43 2HB LEU 43 -3.316 6.058 16.015 289 HG LEU 43 HG LEU 43 -1.884 5.842 13.319 290 1HD1 LEU 43 1HD1 LEU 43 -4.811 5.388 13.940 291 2HD1 LEU 43 2HD1 LEU 43 -4.077 5.482 12.331 292 3HD1 LEU 43 3HD1 LEU 43 -3.636 4.169 13.432 293 1HD2 LEU 43 1HD2 LEU 43 -3.991 7.801 14.316 294 2HD2 LEU 43 2HD2 LEU 43 -2.271 8.173 14.112 295 3HD2 LEU 43 3HD2 LEU 43 -3.248 7.758 12.700 296 H ILE 44 H ILE 44 0.500 7.414 17.476 297 HA ILE 44 HA ILE 44 1.083 5.492 19.401 298 HB ILE 44 HB ILE 44 2.133 7.297 20.679 299 1HG1 ILE 44 1HG1 ILE 44 0.888 9.231 18.668 300 2HG1 ILE 44 2HG1 ILE 44 0.364 9.042 20.343 301 1HG2 ILE 44 1HG2 ILE 44 3.782 7.877 19.032 302 2HG2 ILE 44 2HG2 ILE 44 3.191 6.261 18.651 303 3HG2 ILE 44 3HG2 ILE 44 2.638 7.656 17.696 304 1HD1 ILE 44 1HD1 ILE 44 3.080 10.054 19.420 305 2HD1 ILE 44 2HD1 ILE 44 1.783 10.978 20.193 306 3HD1 ILE 44 3HD1 ILE 44 2.640 9.727 21.116 307 H SER 45 H SER 45 -1.870 7.222 19.404 308 HA SER 45 HA SER 45 -2.599 6.074 22.006 309 1HB SER 45 1HB SER 45 -1.606 8.345 22.525 310 2HB SER 45 2HB SER 45 -2.893 9.069 21.539 311 HG SER 45 HG SER 45 -3.386 8.960 23.812 312 H GLU 46 H GLU 46 -4.912 6.176 22.388 313 HA GLU 46 HA GLU 46 -6.508 5.594 20.100 314 1HB GLU 46 1HB GLU 46 -6.974 4.732 22.322 315 2HB GLU 46 2HB GLU 46 -7.371 6.353 22.917 316 1HG GLU 46 1HG GLU 46 -9.349 6.480 21.609 317 2HG GLU 46 2HG GLU 46 -8.819 5.203 20.513 318 H SER 47 H SER 47 -6.095 8.738 21.826 319 HA SER 47 HA SER 47 -8.222 10.090 20.469 320 1HB SER 47 1HB SER 47 -7.060 12.146 21.043 321 2HB SER 47 2HB SER 47 -7.124 11.030 22.418 322 HG SER 47 HG SER 47 -5.039 11.807 22.308 323 H GLN 48 H GLN 48 -4.869 9.451 19.498 324 HA GLN 48 HA GLN 48 -4.963 11.065 17.076 325 1HB GLN 48 1HB GLN 48 -3.122 8.695 17.614 326 2HB GLN 48 2HB GLN 48 -2.885 10.017 16.478 327 1HG GLN 48 1HG GLN 48 -2.754 10.139 19.513 328 2HG GLN 48 2HG GLN 48 -1.440 10.338 18.363 329 1HE2 GLN 48 1HE2 GLN 48 -3.993 12.007 20.101 330 2HE2 GLN 48 2HE2 GLN 48 -3.682 13.576 19.368 331 H LYS 49 H LYS 49 -5.401 7.586 17.830 332 HA LYS 49 HA LYS 49 -5.907 6.745 15.141 333 1HB LYS 49 1HB LYS 49 -5.861 4.730 16.119 334 2HB LYS 49 2HB LYS 49 -5.686 5.524 17.673 335 1HG LYS 49 1HG LYS 49 -8.188 5.513 17.914 336 2HG LYS 49 2HG LYS 49 -8.286 4.587 16.406 337 1HD LYS 49 1HD LYS 49 -6.973 2.764 17.477 338 2HD LYS 49 2HD LYS 49 -6.850 3.727 18.963 339 1HE LYS 49 1HE LYS 49 -9.437 3.875 18.857 340 2HE LYS 49 2HE LYS 49 -9.332 2.568 17.655 341 1HZ LYS 49 1HZ LYS 49 -9.595 1.443 19.662 342 2HZ LYS 49 2HZ LYS 49 -7.961 1.412 19.535 343 3HZ LYS 49 3HZ LYS 49 -8.721 2.482 20.543 344 H LEU 50 H LEU 50 -8.182 7.787 17.639 345 HA LEU 50 HA LEU 50 -10.552 7.494 16.067 346 1HB LEU 50 1HB LEU 50 -9.877 9.331 18.420 347 2HB LEU 50 2HB LEU 50 -11.476 9.242 17.681 348 HG LEU 50 HG LEU 50 -10.049 6.983 19.142 349 1HD1 LEU 50 1HD1 LEU 50 -12.655 8.442 19.714 350 2HD1 LEU 50 2HD1 LEU 50 -11.899 7.182 20.710 351 3HD1 LEU 50 3HD1 LEU 50 -11.105 8.757 20.538 352 1HD2 LEU 50 1HD2 LEU 50 -12.705 6.931 17.689 353 2HD2 LEU 50 2HD2 LEU 50 -11.267 5.925 17.359 354 3HD2 LEU 50 3HD2 LEU 50 -12.143 5.708 18.860 355 H ALA 51 H ALA 51 -8.582 10.491 16.591 356 HA ALA 51 HA ALA 51 -10.107 12.036 14.759 357 1HB ALA 51 1HB ALA 51 -8.574 12.983 16.456 358 2HB ALA 51 2HB ALA 51 -7.177 12.305 15.589 359 3HB ALA 51 3HB ALA 51 -8.164 13.576 14.834 360 H HIS 52 H HIS 52 -7.221 9.969 14.127 361 HA HIS 52 HA HIS 52 -6.898 10.829 11.414 362 1HB HIS 52 1HB HIS 52 -5.188 9.676 12.834 363 2HB HIS 52 2HB HIS 52 -6.102 8.173 12.684 364 HD1 HIS 52 HD1 HIS 52 -3.472 10.167 10.957 365 HD2 HIS 52 HD2 HIS 52 -6.388 7.302 9.944 366 HE1 HIS 52 HE1 HIS 52 -2.852 9.290 8.637 367 H TYR 53 H TYR 53 -8.559 7.874 12.738 368 HA TYR 53 HA TYR 53 -9.391 7.035 10.102 369 1HB TYR 53 1HB TYR 53 -10.307 6.221 12.878 370 2HB TYR 53 2HB TYR 53 -10.859 5.444 11.400 371 HD1 TYR 53 HD1 TYR 53 -8.639 5.009 9.712 372 HD2 TYR 53 HD2 TYR 53 -8.757 4.811 14.007 373 HE1 TYR 53 HE1 TYR 53 -6.611 3.568 9.697 374 HE2 TYR 53 HE2 TYR 53 -6.752 3.340 13.994 375 HH TYR 53 HH TYR 53 -5.222 2.279 12.730 376 H GLN 54 H GLN 54 -10.948 9.138 12.497 377 HA GLN 54 HA GLN 54 -13.544 9.103 11.202 378 1HB GLN 54 1HB GLN 54 -12.953 9.582 13.614 379 2HB GLN 54 2HB GLN 54 -12.367 11.170 13.114 380 1HG GLN 54 1HG GLN 54 -15.190 10.082 12.780 381 2HG GLN 54 2HG GLN 54 -14.660 11.027 14.148 382 1HE2 GLN 54 1HE2 GLN 54 -16.416 11.374 11.387 383 2HE2 GLN 54 2HE2 GLN 54 -16.099 13.086 11.093 384 H SER 55 H SER 55 -10.588 11.002 10.716 385 HA SER 55 HA SER 55 -11.625 13.289 9.482 386 1HB SER 55 1HB SER 55 -9.313 13.102 10.195 387 2HB SER 55 2HB SER 55 -8.994 11.854 8.973 388 HG SER 55 HG SER 55 -8.411 14.124 8.453 389 H ARG 56 H ARG 56 -12.169 13.975 7.551 390 HA ARG 56 HA ARG 56 -13.009 12.155 5.464 391 1HB ARG 56 1HB ARG 56 -14.029 14.385 6.115 392 2HB ARG 56 2HB ARG 56 -12.699 15.194 5.293 393 1HG ARG 56 1HG ARG 56 -14.397 13.112 3.870 394 2HG ARG 56 2HG ARG 56 -15.019 14.739 4.103 395 1HD ARG 56 1HD ARG 56 -13.327 15.751 2.795 396 2HD ARG 56 2HD ARG 56 -12.331 14.308 2.751 397 HE ARG 56 HE ARG 56 -14.619 14.916 1.060 398 1HH1 ARG 56 1HH1 ARG 56 -12.667 12.247 2.254 399 2HH1 ARG 56 2HH1 ARG 56 -13.271 11.160 1.022 400 1HH2 ARG 56 1HH2 ARG 56 -15.264 13.496 -0.512 401 2HH2 ARG 56 2HH2 ARG 56 -14.653 11.871 -0.533 402 H LYS 57 H LYS 57 -10.022 13.877 6.081 403 HA LYS 57 HA LYS 57 -8.879 13.670 3.405 404 1HB LYS 57 1HB LYS 57 -7.447 13.898 6.092 405 2HB LYS 57 2HB LYS 57 -6.762 14.228 4.504 406 1HG LYS 57 1HG LYS 57 -8.957 15.829 5.891 407 2HG LYS 57 2HG LYS 57 -7.268 16.290 5.697 408 1HD LYS 57 1HD LYS 57 -7.572 16.322 3.213 409 2HD LYS 57 2HD LYS 57 -9.299 15.953 3.443 410 1HE LYS 57 1HE LYS 57 -9.563 18.005 4.807 411 2HE LYS 57 2HE LYS 57 -7.847 18.374 4.599 412 1HZ LYS 57 1HZ LYS 57 -9.210 19.602 3.012 413 2HZ LYS 57 2HZ LYS 57 -8.245 18.569 2.201 414 3HZ LYS 57 3HZ LYS 57 -9.834 18.229 2.390 415 H HIS 58 H HIS 58 -8.788 11.603 6.293 416 HA HIS 58 HA HIS 58 -7.052 9.536 5.212 417 1HB HIS 58 1HB HIS 58 -7.380 9.559 7.562 418 2HB HIS 58 2HB HIS 58 -9.132 9.638 7.416 419 HD2 HIS 58 HD2 HIS 58 -10.494 7.394 6.968 420 HE1 HIS 58 HE1 HIS 58 -7.235 4.678 7.349 421 HE2 HIS 58 HE2 HIS 58 -9.764 4.870 7.194 422 H ALA 59 H ALA 59 -10.634 9.921 5.321 423 HA ALA 59 HA ALA 59 -11.284 7.592 3.860 424 1HB ALA 59 1HB ALA 59 -13.450 8.680 3.542 425 2HB ALA 59 2HB ALA 59 -12.842 9.015 5.176 426 3HB ALA 59 3HB ALA 59 -12.751 10.264 3.918 427 H ASN 60 H ASN 60 -10.396 10.851 2.607 428 HA ASN 60 HA ASN 60 -10.921 10.289 -0.164 429 1HB ASN 60 1HB ASN 60 -10.607 12.580 0.783 430 2HB ASN 60 2HB ASN 60 -8.918 12.213 1.112 431 1HD2 ASN 60 1HD2 ASN 60 -7.596 13.148 -0.416 432 2HD2 ASN 60 2HD2 ASN 60 -8.019 13.299 -2.114 433 H LYS 61 H LYS 61 -7.910 9.973 1.791 434 HA LYS 61 HA LYS 61 -6.298 8.881 -0.351 435 1HB LYS 61 1HB LYS 61 -6.038 8.886 2.680 436 2HB LYS 61 2HB LYS 61 -4.893 8.015 1.643 437 1HG LYS 61 1HG LYS 61 -4.374 10.027 0.385 438 2HG LYS 61 2HG LYS 61 -5.535 10.976 1.318 439 1HD LYS 61 1HD LYS 61 -3.050 9.638 2.477 440 2HD LYS 61 2HD LYS 61 -3.145 11.318 1.924 441 1HE LYS 61 1HE LYS 61 -5.123 11.591 3.557 442 2HE LYS 61 2HE LYS 61 -4.621 10.039 4.245 443 1HZ LYS 61 1HZ LYS 61 -2.935 12.483 4.077 444 2HZ LYS 61 2HZ LYS 61 -3.588 11.881 5.441 445 3HZ LYS 61 3HZ LYS 61 -2.412 11.055 4.662 446 H VAL 62 H VAL 62 -8.373 7.288 2.090 447 HA VAL 62 HA VAL 62 -7.744 4.587 1.286 448 HB VAL 62 HB VAL 62 -10.173 5.773 2.665 449 1HG1 VAL 62 1HG1 VAL 62 -10.893 3.648 1.652 450 2HG1 VAL 62 2HG1 VAL 62 -9.438 2.834 2.272 451 3HG1 VAL 62 3HG1 VAL 62 -10.680 3.441 3.389 452 1HG2 VAL 62 1HG2 VAL 62 -9.158 4.857 4.658 453 2HG2 VAL 62 2HG2 VAL 62 -7.849 4.095 3.714 454 3HG2 VAL 62 3HG2 VAL 62 -7.937 5.846 3.872 455 H ARG 63 H ARG 63 -10.362 6.810 0.160 456 HA ARG 63 HA ARG 63 -11.545 4.945 -1.665 457 1HB ARG 63 1HB ARG 63 -12.549 7.084 -0.873 458 2HB ARG 63 2HB ARG 63 -11.415 7.984 -1.893 459 1HG ARG 63 1HG ARG 63 -12.363 6.966 -3.915 460 2HG ARG 63 2HG ARG 63 -13.379 5.886 -2.937 461 1HD ARG 63 1HD ARG 63 -14.562 7.849 -1.994 462 2HD ARG 63 2HD ARG 63 -13.538 8.925 -2.946 463 HE ARG 63 HE ARG 63 -14.723 8.416 -4.882 464 1HH1 ARG 63 1HH1 ARG 63 -15.866 6.230 -2.383 465 2HH1 ARG 63 2HH1 ARG 63 -17.219 5.706 -3.346 466 1HH2 ARG 63 1HH2 ARG 63 -16.467 7.700 -6.041 467 2HH2 ARG 63 2HH2 ARG 63 -17.544 6.518 -5.357 468 H ARG 64 H ARG 64 -8.873 7.260 -2.159 469 HA ARG 64 HA ARG 64 -8.423 6.601 -4.939 470 1HB ARG 64 1HB ARG 64 -7.628 8.686 -3.876 471 2HB ARG 64 2HB ARG 64 -6.553 7.773 -2.828 472 1HG ARG 64 1HG ARG 64 -5.372 8.838 -4.726 473 2HG ARG 64 2HG ARG 64 -5.164 7.093 -4.686 474 1HD ARG 64 1HD ARG 64 -5.482 7.915 -6.976 475 2HD ARG 64 2HD ARG 64 -6.765 6.797 -6.504 476 HE ARG 64 HE ARG 64 -7.419 9.621 -6.055 477 1HH1 ARG 64 1HH1 ARG 64 -7.495 7.121 -8.512 478 2HH1 ARG 64 2HH1 ARG 64 -8.782 7.899 -9.391 479 1HH2 ARG 64 1HH2 ARG 64 -9.060 10.556 -7.226 480 2HH2 ARG 64 2HH2 ARG 64 -9.631 9.798 -8.682 481 H TYR 65 H TYR 65 -6.910 5.376 -1.928 482 HA TYR 65 HA TYR 65 -5.097 3.554 -3.152 483 1HB TYR 65 1HB TYR 65 -4.915 4.282 -0.841 484 2HB TYR 65 2HB TYR 65 -6.454 3.538 -0.430 485 HD1 TYR 65 HD1 TYR 65 -2.907 2.880 -1.295 486 HD2 TYR 65 HD2 TYR 65 -6.657 1.148 -0.052 487 HE1 TYR 65 HE1 TYR 65 -1.736 0.759 -0.718 488 HE2 TYR 65 HE2 TYR 65 -5.484 -0.980 0.516 489 HH TYR 65 HH TYR 65 -1.947 -1.373 0.083 490 H MET 66 H MET 66 -8.500 3.010 -2.065 491 HA MET 66 HA MET 66 -8.606 0.228 -2.586 492 1HB MET 66 1HB MET 66 -10.710 2.416 -2.545 493 2HB MET 66 2HB MET 66 -11.137 0.741 -2.923 494 1HG MET 66 1HG MET 66 -9.635 1.570 -0.418 495 2HG MET 66 2HG MET 66 -11.382 1.351 -0.493 496 1HE MET 66 1HE MET 66 -9.897 -0.084 1.709 497 2HE MET 66 2HE MET 66 -9.125 -1.647 1.355 498 3HE MET 66 3HE MET 66 -8.371 -0.140 0.790 499 H ALA 67 H ALA 67 -8.842 2.935 -4.857 500 HA ALA 67 HA ALA 67 -9.656 1.283 -7.129 501 1HB ALA 67 1HB ALA 67 -10.346 3.654 -6.844 502 2HB ALA 67 2HB ALA 67 -8.646 4.158 -6.984 503 3HB ALA 67 3HB ALA 67 -9.465 3.393 -8.359 504 H ILE 68 H ILE 68 -6.734 1.464 -5.544 505 HA ILE 68 HA ILE 68 -5.080 0.916 -7.990 506 HB ILE 68 HB ILE 68 -4.339 2.347 -5.407 507 1HG1 ILE 68 1HG1 ILE 68 -4.380 3.383 -8.282 508 2HG1 ILE 68 2HG1 ILE 68 -5.646 3.691 -7.103 509 1HG2 ILE 68 1HG2 ILE 68 -2.556 1.645 -7.783 510 2HG2 ILE 68 2HG2 ILE 68 -2.088 2.683 -6.418 511 3HG2 ILE 68 3HG2 ILE 68 -2.419 0.992 -6.134 512 1HD1 ILE 68 1HD1 ILE 68 -2.799 4.713 -6.948 513 2HD1 ILE 68 2HD1 ILE 68 -4.289 5.631 -7.178 514 3HD1 ILE 68 3HD1 ILE 68 -3.983 4.834 -5.622 515 H ASN 69 H ASN 69 -5.913 -0.087 -4.713 516 HA ASN 69 HA ASN 69 -3.921 -1.947 -4.138 517 1HB ASN 69 1HB ASN 69 -5.697 -0.996 -2.628 518 2HB ASN 69 2HB ASN 69 -6.876 -2.054 -3.406 519 1HD2 ASN 69 1HD2 ASN 69 -7.296 -2.975 -1.278 520 2HD2 ASN 69 2HD2 ASN 69 -6.151 -4.120 -0.598 521 H GLN 70 H GLN 70 -3.984 -4.269 -4.036 522 HA GLN 70 HA GLN 70 -4.152 -5.558 -6.515 523 1HB GLN 70 1HB GLN 70 -2.743 -6.173 -4.562 524 2HB GLN 70 2HB GLN 70 -4.174 -6.792 -3.728 525 1HG GLN 70 1HG GLN 70 -4.478 -8.493 -5.510 526 2HG GLN 70 2HG GLN 70 -3.081 -7.851 -6.380 527 1HE2 GLN 70 1HE2 GLN 70 -3.942 -10.411 -4.477 528 2HE2 GLN 70 2HE2 GLN 70 -2.392 -10.696 -3.698 529 H GLY 71 H GLY 71 -5.539 -6.910 -7.516 530 1HA GLY 71 1HA GLY 71 -7.673 -8.405 -6.721 531 2HA GLY 71 2HA GLY 71 -8.396 -6.798 -6.870 532 H GLU 72 H GLU 72 -6.840 -5.889 -9.092 533 HA GLU 72 HA GLU 72 -7.522 -7.704 -11.366 534 1HB GLU 72 1HB GLU 72 -8.326 -4.772 -11.132 535 2HB GLU 72 2HB GLU 72 -8.509 -5.782 -12.573 536 1HG GLU 72 1HG GLU 72 -10.005 -7.316 -11.283 537 2HG GLU 72 2HG GLU 72 -9.936 -6.192 -9.920 538 H ASP 73 H ASP 73 -4.981 -6.911 -10.033 539 HA ASP 73 HA ASP 73 -3.475 -6.007 -12.422 540 1HB ASP 73 1HB ASP 73 -3.987 -4.018 -10.985 541 2HB ASP 73 2HB ASP 73 -3.125 -4.788 -9.655 542 H SER 74 H SER 74 -3.724 -8.593 -11.664 543 HA SER 74 HA SER 74 -0.977 -9.368 -10.842 544 1HB SER 74 1HB SER 74 -1.863 -11.139 -9.386 545 2HB SER 74 2HB SER 74 -2.324 -9.530 -8.814 546 HG SER 74 HG SER 74 -4.081 -11.030 -8.785 547 H VAL 75 H VAL 75 -0.615 -11.764 -11.248 548 HA VAL 75 HA VAL 75 -2.067 -12.806 -13.625 549 HB VAL 75 HB VAL 75 0.136 -13.387 -14.674 550 1HG1 VAL 75 1HG1 VAL 75 -0.304 -10.398 -14.355 551 2HG1 VAL 75 2HG1 VAL 75 0.524 -11.228 -15.686 552 3HG1 VAL 75 3HG1 VAL 75 -1.216 -11.463 -15.448 553 1HG2 VAL 75 1HG2 VAL 75 2.158 -12.184 -14.093 554 2HG2 VAL 75 2HG2 VAL 75 1.352 -11.382 -12.733 555 3HG2 VAL 75 3HG2 VAL 75 1.629 -13.137 -12.702 556 HA PRO 76 HA PRO 76 -1.572 -16.671 -11.500 557 1HB PRO 76 1HB PRO 76 -2.102 -18.495 -13.438 558 2HB PRO 76 2HB PRO 76 -3.325 -17.303 -12.908 559 1HG PRO 76 1HG PRO 76 -1.457 -17.102 -15.299 560 2HG PRO 76 2HG PRO 76 -3.241 -16.900 -15.275 561 1HD PRO 76 1HD PRO 76 -1.536 -14.777 -15.131 562 2HD PRO 76 2HD PRO 76 -3.084 -14.798 -14.240 563 H ALA 77 H ALA 77 0.843 -15.608 -13.582 564 HA ALA 77 HA ALA 77 2.411 -17.861 -14.164 565 1HB ALA 77 1HB ALA 77 3.281 -14.991 -13.600 566 2HB ALA 77 2HB ALA 77 4.213 -16.210 -14.494 567 3HB ALA 77 3HB ALA 77 2.682 -15.613 -15.157 568 H LYS 78 H LYS 78 4.378 -18.623 -13.321 569 HA LYS 78 HA LYS 78 4.906 -18.258 -10.401 570 1HB LYS 78 1HB LYS 78 3.421 -20.279 -11.084 571 2HB LYS 78 2HB LYS 78 4.903 -20.994 -11.720 572 1HG LYS 78 1HG LYS 78 5.915 -20.852 -9.437 573 2HG LYS 78 2HG LYS 78 4.450 -20.054 -8.842 574 1HD LYS 78 1HD LYS 78 3.115 -22.053 -9.419 575 2HD LYS 78 2HD LYS 78 4.558 -22.872 -10.026 576 1HE LYS 78 1HE LYS 78 4.196 -21.880 -7.158 577 2HE LYS 78 2HE LYS 78 3.825 -23.521 -7.693 578 1HZ LYS 78 1HZ LYS 78 6.158 -23.788 -8.330 579 2HZ LYS 78 2HZ LYS 78 6.520 -22.278 -7.816 580 3HZ LYS 78 3HZ LYS 78 6.043 -23.415 -6.748 581 H LYS 79 H LYS 79 6.249 -17.235 -12.807 582 HA LYS 79 HA LYS 79 8.754 -18.533 -13.325 583 1HB LYS 79 1HB LYS 79 7.647 -16.813 -14.752 584 2HB LYS 79 2HB LYS 79 7.960 -15.592 -13.512 585 1HG LYS 79 1HG LYS 79 10.413 -15.904 -13.833 586 2HG LYS 79 2HG LYS 79 10.090 -17.182 -15.013 587 1HD LYS 79 1HD LYS 79 10.644 -15.154 -16.187 588 2HD LYS 79 2HD LYS 79 8.935 -15.512 -16.469 589 1HE LYS 79 1HE LYS 79 8.298 -13.839 -14.738 590 2HE LYS 79 2HE LYS 79 10.007 -13.524 -14.407 591 1HZ LYS 79 1HZ LYS 79 9.078 -11.870 -15.924 592 2HZ LYS 79 2HZ LYS 79 10.234 -12.720 -16.698 593 3HZ LYS 79 3HZ LYS 79 8.657 -13.015 -17.007 594 H PHE 80 H PHE 80 7.822 -16.157 -10.898 595 HA PHE 80 HA PHE 80 10.461 -15.532 -9.941 596 1HB PHE 80 1HB PHE 80 7.785 -15.143 -8.559 597 2HB PHE 80 2HB PHE 80 9.271 -14.250 -8.259 598 HD1 PHE 80 HD1 PHE 80 6.192 -14.262 -10.085 599 HD2 PHE 80 HD2 PHE 80 10.294 -12.940 -10.317 600 HE1 PHE 80 HE1 PHE 80 5.569 -12.632 -11.850 601 HE2 PHE 80 HE2 PHE 80 9.664 -11.307 -12.079 602 HZ PHE 80 HZ PHE 80 7.302 -11.154 -12.850 603 H LYS 81 H LYS 81 10.988 -15.697 -7.563 604 HA LYS 81 HA LYS 81 11.423 -18.411 -6.808 605 1HB LYS 81 1HB LYS 81 12.497 -17.520 -4.853 606 2HB LYS 81 2HB LYS 81 12.918 -16.528 -6.244 607 1HG LYS 81 1HG LYS 81 11.175 -14.850 -5.527 608 2HG LYS 81 2HG LYS 81 10.872 -15.819 -4.083 609 1HD LYS 81 1HD LYS 81 13.539 -14.539 -4.829 610 2HD LYS 81 2HD LYS 81 12.368 -13.888 -3.672 611 1HE LYS 81 1HE LYS 81 12.609 -15.943 -2.277 612 2HE LYS 81 2HE LYS 81 13.821 -16.561 -3.408 613 1HZ LYS 81 1HZ LYS 81 15.203 -14.622 -2.880 614 2HZ LYS 81 2HZ LYS 81 14.087 -14.055 -1.831 615 3HZ LYS 81 3HZ LYS 81 14.864 -15.455 -1.520 616 H ALA 82 H ALA 82 10.971 -19.327 -4.660 617 HA ALA 82 HA ALA 82 8.267 -18.794 -3.553 618 1HB ALA 82 1HB ALA 82 9.218 -21.506 -4.581 619 2HB ALA 82 2HB ALA 82 7.662 -21.170 -3.790 620 3HB ALA 82 3HB ALA 82 8.015 -20.466 -5.374 621 H ALA 83 H ALA 83 7.913 -20.494 -1.681 622 HA ALA 83 HA ALA 83 10.345 -20.926 -0.048 623 1HB ALA 83 1HB ALA 83 9.512 -18.649 0.481 624 2HB ALA 83 2HB ALA 83 7.901 -19.313 0.831 625 3HB ALA 83 3HB ALA 83 9.282 -19.730 1.861 626 HA PRO 84 HA PRO 84 8.529 -24.719 1.275 627 1HB PRO 84 1HB PRO 84 8.777 -23.810 4.143 628 2HB PRO 84 2HB PRO 84 9.290 -25.358 3.403 629 1HG PRO 84 1HG PRO 84 11.118 -23.435 3.916 630 2HG PRO 84 2HG PRO 84 11.167 -24.313 2.350 631 1HD PRO 84 1HD PRO 84 9.998 -21.586 2.944 632 2HD PRO 84 2HD PRO 84 11.051 -22.094 1.588 633 H ALA 85 H ALA 85 6.766 -25.819 2.245 634 HA ALA 85 HA ALA 85 4.489 -24.260 3.343 635 1HB ALA 85 1HB ALA 85 4.193 -24.328 0.877 636 2HB ALA 85 2HB ALA 85 4.317 -26.102 0.913 637 3HB ALA 85 3HB ALA 85 2.954 -25.285 1.708 638 H GLU 86 H GLU 86 6.456 -26.064 4.468 639 HA GLU 86 HA GLU 86 4.789 -28.322 5.505 640 1HB GLU 86 1HB GLU 86 7.781 -28.308 4.873 641 2HB GLU 86 2HB GLU 86 6.885 -29.615 5.624 642 1HG GLU 86 1HG GLU 86 7.193 -30.281 3.409 643 2HG GLU 86 2HG GLU 86 5.496 -29.851 3.566 644 H ILE 87 H ILE 87 5.714 -29.166 7.616 645 HA ILE 87 HA ILE 87 5.715 -27.198 9.630 646 HB ILE 87 HB ILE 87 6.882 -29.998 9.735 647 1HG1 ILE 87 1HG1 ILE 87 4.580 -30.175 9.053 648 2HG1 ILE 87 2HG1 ILE 87 4.749 -30.711 10.712 649 1HG2 ILE 87 1HG2 ILE 87 6.391 -29.850 12.199 650 2HG2 ILE 87 2HG2 ILE 87 7.680 -28.777 11.665 651 3HG2 ILE 87 3HG2 ILE 87 6.062 -28.119 11.991 652 1HD1 ILE 87 1HD1 ILE 87 2.698 -29.420 10.432 653 2HD1 ILE 87 2HD1 ILE 87 3.795 -28.543 11.511 654 3HD1 ILE 87 3HD1 ILE 87 3.599 -28.027 9.817 655 H SER 88 H SER 88 7.117 -25.719 10.158 656 HA SER 88 HA SER 88 10.065 -26.188 10.024 657 1HB SER 88 1HB SER 88 8.645 -23.717 8.943 658 2HB SER 88 2HB SER 88 10.393 -23.998 8.978 659 HG SER 88 HG SER 88 8.437 -25.438 7.491 660 H ASP 89 H ASP 89 7.773 -25.781 12.119 661 HA ASP 89 HA ASP 89 9.217 -23.867 13.878 662 1HB ASP 89 1HB ASP 89 7.216 -22.748 14.454 663 2HB ASP 89 2HB ASP 89 7.278 -22.783 12.701 664 H GLY 90 H GLY 90 8.861 -26.959 13.750 665 1HA GLY 90 1HA GLY 90 8.636 -27.319 16.645 666 2HA GLY 90 2HA GLY 90 7.346 -28.095 15.728 667 H GLU 91 H GLU 91 9.092 -29.476 17.363 668 HA GLU 91 HA GLU 91 11.182 -30.782 15.732 669 1HB GLU 91 1HB GLU 91 10.332 -31.092 18.638 670 2HB GLU 91 2HB GLU 91 11.689 -31.940 17.890 671 1HG GLU 91 1HG GLU 91 12.771 -29.773 17.356 672 2HG GLU 91 2HG GLU 91 11.452 -28.912 18.151 673 H ASP 92 H ASP 92 7.898 -31.338 16.100 674 HA ASP 92 HA ASP 92 7.532 -34.050 16.569 675 1HB ASP 92 1HB ASP 92 5.816 -32.233 16.377 676 2HB ASP 92 2HB ASP 92 5.990 -32.294 14.623 677 H ARG 93 H ARG 93 9.005 -32.735 13.766 678 HA ARG 93 HA ARG 93 9.142 -35.407 12.441 679 1HB ARG 93 1HB ARG 93 8.702 -34.464 10.276 680 2HB ARG 93 2HB ARG 93 7.368 -34.085 11.348 681 1HG ARG 93 1HG ARG 93 7.590 -31.887 10.930 682 2HG ARG 93 2HG ARG 93 9.236 -31.896 11.548 683 1HD ARG 93 1HD ARG 93 9.840 -32.888 9.159 684 2HD ARG 93 2HD ARG 93 8.279 -32.223 8.700 685 HE ARG 93 HE ARG 93 9.120 -30.024 9.000 686 1HH1 ARG 93 1HH1 ARG 93 11.591 -32.279 10.117 687 2HH1 ARG 93 2HH1 ARG 93 12.829 -31.043 9.991 688 1HH2 ARG 93 1HH2 ARG 93 10.670 -28.580 8.968 689 2HH2 ARG 93 2HH2 ARG 93 12.359 -29.018 9.232 690 H SER 94 H SER 94 11.049 -34.178 14.160 691 HA SER 94 HA SER 94 13.302 -33.480 12.300 692 1HB SER 94 1HB SER 94 14.382 -32.474 14.209 693 2HB SER 94 2HB SER 94 12.738 -31.826 14.070 694 HG SER 94 HG SER 94 12.114 -33.209 15.775 695 H LYS 95 H LYS 95 12.305 -35.968 14.488 696 HA LYS 95 HA LYS 95 14.900 -37.427 14.095 697 1HB LYS 95 1HB LYS 95 13.442 -36.873 16.693 698 2HB LYS 95 2HB LYS 95 14.546 -38.231 16.492 699 1HG LYS 95 1HG LYS 95 16.363 -36.648 15.796 700 2HG LYS 95 2HG LYS 95 15.264 -35.289 16.103 701 1HD LYS 95 1HD LYS 95 15.030 -35.988 18.450 702 2HD LYS 95 2HD LYS 95 16.126 -37.350 18.182 703 1HE LYS 95 1HE LYS 95 16.913 -34.435 17.715 704 2HE LYS 95 2HE LYS 95 17.089 -35.235 19.278 705 1HZ LYS 95 1HZ LYS 95 19.148 -35.375 18.062 706 2HZ LYS 95 2HZ LYS 95 18.544 -36.880 18.206 707 3HZ LYS 95 3HZ LYS 95 18.463 -36.088 16.775 708 H CYS 96 H CYS 96 11.550 -37.608 13.801 709 HA CYS 96 HA CYS 96 11.684 -40.493 13.223 710 1HB CYS 96 1HB CYS 96 11.178 -40.311 15.634 711 2HB CYS 96 2HB CYS 96 9.749 -39.327 15.272 712 HG CYS 96 HG CYS 96 8.412 -41.131 14.001 713 H CYS 97 H CYS 97 9.972 -41.289 11.989 714 HA CYS 97 HA CYS 97 8.022 -39.381 10.773 715 1HB CYS 97 1HB CYS 97 9.919 -39.398 9.260 716 2HB CYS 97 2HB CYS 97 9.974 -41.162 9.284 717 HA PRO 98 HA PRO 98 6.019 -43.323 12.155 718 1HB PRO 98 1HB PRO 98 3.617 -41.494 12.057 719 2HB PRO 98 2HB PRO 98 4.076 -42.682 13.315 720 1HG PRO 98 1HG PRO 98 4.440 -40.022 13.724 721 2HG PRO 98 2HG PRO 98 5.698 -41.195 14.231 722 1HD PRO 98 1HD PRO 98 5.619 -39.503 11.718 723 2HD PRO 98 2HD PRO 98 6.974 -39.776 12.856 724 H VAL 99 H VAL 99 5.217 -41.122 9.509 725 HA VAL 99 HA VAL 99 3.315 -42.692 8.078 726 HB VAL 99 HB VAL 99 5.398 -40.874 6.805 727 1HG1 VAL 99 1HG1 VAL 99 3.529 -40.400 5.218 728 2HG1 VAL 99 2HG1 VAL 99 4.036 -42.087 5.166 729 3HG1 VAL 99 3HG1 VAL 99 2.545 -41.632 6.028 730 1HG2 VAL 99 1HG2 VAL 99 3.734 -39.037 7.034 731 2HG2 VAL 99 2HG2 VAL 99 2.750 -40.076 8.088 732 3HG2 VAL 99 3HG2 VAL 99 4.375 -39.549 8.594 733 H CYS 100 H CYS 100 6.767 -43.025 8.395 734 HA CYS 100 HA CYS 100 6.829 -45.321 6.460 735 1HB CYS 100 1HB CYS 100 8.994 -43.336 7.254 736 2HB CYS 100 2HB CYS 100 9.182 -44.701 6.168 737 H ASN 101 H ASN 101 7.131 -44.385 9.650 738 HA ASN 101 HA ASN 101 7.801 -45.170 11.595 739 1HB ASN 101 1HB ASN 101 6.208 -46.976 10.943 740 2HB ASN 101 2HB ASN 101 7.562 -47.921 10.316 741 1HD2 ASN 101 1HD2 ASN 101 7.110 -49.636 11.830 742 2HD2 ASN 101 2HD2 ASN 101 7.495 -49.435 13.534 743 H MET 102 H MET 102 9.744 -44.028 10.626 744 HA MET 102 HA MET 102 12.199 -45.616 11.245 745 1HB MET 102 1HB MET 102 11.883 -43.724 8.874 746 2HB MET 102 2HB MET 102 13.402 -44.448 9.418 747 1HG MET 102 1HG MET 102 12.298 -46.726 9.088 748 2HG MET 102 2HG MET 102 11.016 -45.874 8.227 749 1HE MET 102 1HE MET 102 11.433 -44.458 5.975 750 2HE MET 102 2HE MET 102 12.787 -43.548 6.686 751 3HE MET 102 3HE MET 102 12.996 -44.383 5.132 752 H THR 103 H THR 103 14.110 -44.190 11.655 753 HA THR 103 HA THR 103 13.387 -41.600 12.944 754 HB THR 103 HB THR 103 15.043 -42.139 14.720 755 HG1 THR 103 HG1 THR 103 15.596 -44.317 14.979 756 1HG2 THR 103 1HG2 THR 103 12.740 -44.131 14.551 757 2HG2 THR 103 2HG2 THR 103 13.584 -43.590 16.019 758 3HG2 THR 103 3HG2 THR 103 12.605 -42.444 15.092 759 H PHE 104 H PHE 104 15.100 -40.134 13.307 760 HA PHE 104 HA PHE 104 17.388 -40.270 11.397 761 1HB PHE 104 1HB PHE 104 15.851 -37.718 11.879 762 2HB PHE 104 2HB PHE 104 16.956 -38.109 10.579 763 HD1 PHE 104 HD1 PHE 104 13.552 -37.807 11.519 764 HD2 PHE 104 HD2 PHE 104 16.165 -40.082 8.952 765 HE1 PHE 104 HE1 PHE 104 11.620 -38.443 10.128 766 HE2 PHE 104 HE2 PHE 104 14.210 -40.763 7.577 767 HZ PHE 104 HZ PHE 104 11.938 -39.961 8.166 768 H SER 105 H SER 105 19.276 -39.145 12.011 769 HA SER 105 HA SER 105 19.719 -38.827 14.854 770 1HB SER 105 1HB SER 105 21.980 -38.039 14.076 771 2HB SER 105 2HB SER 105 21.499 -39.646 13.502 772 HG SER 105 HG SER 105 22.388 -38.346 11.821 773 H SER 106 H SER 106 19.274 -36.508 12.173 774 HA SER 106 HA SER 106 18.963 -34.263 14.121 775 1HB SER 106 1HB SER 106 20.803 -34.374 11.693 776 2HB SER 106 2HB SER 106 20.369 -32.869 12.508 777 HG SER 106 HG SER 106 22.351 -33.744 13.276 778 HA PRO 107 HA PRO 107 15.519 -32.910 11.765 779 1HB PRO 107 1HB PRO 107 15.948 -30.141 11.482 780 2HB PRO 107 2HB PRO 107 15.225 -30.961 12.885 781 1HG PRO 107 1HG PRO 107 18.089 -30.103 12.478 782 2HG PRO 107 2HG PRO 107 17.080 -29.956 13.952 783 1HD PRO 107 1HD PRO 107 18.897 -31.916 13.732 784 2HD PRO 107 2HD PRO 107 17.295 -32.274 14.430 785 H VAL 108 H VAL 108 18.629 -31.706 10.388 786 HA VAL 108 HA VAL 108 17.470 -31.159 7.805 787 HB VAL 108 HB VAL 108 20.393 -31.824 8.280 788 1HG1 VAL 108 1HG1 VAL 108 19.732 -31.662 5.912 789 2HG1 VAL 108 2HG1 VAL 108 18.882 -30.136 6.226 790 3HG1 VAL 108 3HG1 VAL 108 20.657 -30.225 6.353 791 1HG2 VAL 108 1HG2 VAL 108 19.804 -30.052 9.883 792 2HG2 VAL 108 2HG2 VAL 108 20.715 -29.358 8.545 793 3HG2 VAL 108 3HG2 VAL 108 18.951 -29.151 8.608 794 H VAL 109 H VAL 109 18.752 -34.125 9.252 795 HA VAL 109 HA VAL 109 18.766 -35.695 6.797 796 HB VAL 109 HB VAL 109 18.557 -36.642 9.688 797 1HG1 VAL 109 1HG1 VAL 109 17.889 -38.400 8.092 798 2HG1 VAL 109 2HG1 VAL 109 19.370 -38.125 7.151 799 3HG1 VAL 109 3HG1 VAL 109 19.460 -38.769 8.806 800 1HG2 VAL 109 1HG2 VAL 109 20.997 -36.290 7.892 801 2HG2 VAL 109 2HG2 VAL 109 20.631 -35.351 9.356 802 3HG2 VAL 109 3HG2 VAL 109 20.993 -37.072 9.487 803 H ALA 110 H ALA 110 16.391 -35.051 9.397 804 HA ALA 110 HA ALA 110 14.308 -36.750 8.413 805 1HB ALA 110 1HB ALA 110 14.462 -35.702 10.698 806 2HB ALA 110 2HB ALA 110 13.991 -34.155 9.966 807 3HB ALA 110 3HB ALA 110 12.888 -35.541 9.895 808 H GLU 111 H GLU 111 14.996 -33.251 7.821 809 HA GLU 111 HA GLU 111 12.837 -32.762 6.010 810 1HB GLU 111 1HB GLU 111 15.587 -31.482 6.309 811 2HB GLU 111 2HB GLU 111 14.355 -30.890 5.174 812 1HG GLU 111 1HG GLU 111 12.770 -30.524 6.970 813 2HG GLU 111 2HG GLU 111 13.866 -31.255 8.141 814 H SER 112 H SER 112 16.164 -33.919 5.376 815 HA SER 112 HA SER 112 15.999 -34.033 2.528 816 1HB SER 112 1HB SER 112 17.618 -35.788 4.418 817 2HB SER 112 2HB SER 112 17.856 -35.641 2.669 818 HG SER 112 HG SER 112 18.163 -33.621 4.652 819 H HIS 113 H HIS 113 14.962 -36.384 5.023 820 HA HIS 113 HA HIS 113 14.275 -38.477 3.125 821 1HB HIS 113 1HB HIS 113 14.735 -39.103 5.392 822 2HB HIS 113 2HB HIS 113 13.566 -37.954 6.036 823 HD1 HIS 113 HD1 HIS 113 13.612 -41.346 4.204 824 HD2 HIS 113 HD2 HIS 113 10.977 -38.612 6.018 825 HE1 HIS 113 HE1 HIS 113 11.327 -42.490 4.305 826 H TYR 114 H TYR 114 12.290 -36.018 4.905 827 HA TYR 114 HA TYR 114 9.786 -36.770 3.838 828 1HB TYR 114 1HB TYR 114 10.876 -34.295 5.120 829 2HB TYR 114 2HB TYR 114 9.367 -34.155 4.251 830 HD1 TYR 114 HD1 TYR 114 7.328 -34.714 5.242 831 HD2 TYR 114 HD2 TYR 114 10.976 -36.220 6.976 832 HE1 TYR 114 HE1 TYR 114 6.056 -35.556 7.213 833 HE2 TYR 114 HE2 TYR 114 9.715 -37.025 8.949 834 HH TYR 114 HH TYR 114 7.668 -37.177 9.969 835 H ILE 115 H ILE 115 12.216 -34.619 2.326 836 HA ILE 115 HA ILE 115 10.368 -34.034 0.095 837 HB ILE 115 HB ILE 115 12.081 -32.623 -0.817 838 1HG1 ILE 115 1HG1 ILE 115 14.131 -32.121 0.718 839 2HG1 ILE 115 2HG1 ILE 115 13.913 -33.760 1.313 840 1HG2 ILE 115 1HG2 ILE 115 12.090 -30.935 0.908 841 2HG2 ILE 115 2HG2 ILE 115 10.551 -31.805 0.949 842 3HG2 ILE 115 3HG2 ILE 115 11.797 -32.142 2.172 843 1HD1 ILE 115 1HD1 ILE 115 14.346 -33.034 -1.612 844 2HD1 ILE 115 2HD1 ILE 115 15.624 -33.523 -0.484 845 3HD1 ILE 115 3HD1 ILE 115 14.356 -34.671 -0.912 846 H GLY 116 H GLY 116 12.309 -36.676 0.791 847 1HA GLY 116 1HA GLY 116 13.240 -37.219 -1.946 848 2HA GLY 116 2HA GLY 116 13.499 -38.204 -0.513 849 H LYS 117 H LYS 117 12.802 -39.193 -3.053 850 HA LYS 117 HA LYS 117 10.037 -39.762 -3.429 851 1HB LYS 117 1HB LYS 117 12.437 -41.459 -4.251 852 2HB LYS 117 2HB LYS 117 10.810 -41.583 -4.911 853 1HG LYS 117 1HG LYS 117 12.698 -39.210 -5.218 854 2HG LYS 117 2HG LYS 117 12.285 -40.407 -6.443 855 1HD LYS 117 1HD LYS 117 9.895 -39.645 -6.353 856 2HD LYS 117 2HD LYS 117 10.379 -38.369 -5.209 857 1HE LYS 117 1HE LYS 117 11.977 -37.472 -6.880 858 2HE LYS 117 2HE LYS 117 11.501 -38.735 -8.021 859 1HZ LYS 117 1HZ LYS 117 9.689 -36.632 -6.954 860 2HZ LYS 117 2HZ LYS 117 10.317 -36.665 -8.458 861 3HZ LYS 117 3HZ LYS 117 9.244 -37.805 -8.004 862 H THR 118 H THR 118 12.352 -41.439 -1.336 863 HA THR 118 HA THR 118 10.922 -43.824 -0.845 864 HB THR 118 HB THR 118 12.527 -42.251 1.206 865 HG1 THR 118 HG1 THR 118 14.284 -43.405 0.366 866 1HG2 THR 118 1HG2 THR 118 11.396 -44.228 2.167 867 2HG2 THR 118 2HG2 THR 118 12.035 -45.247 0.856 868 3HG2 THR 118 3HG2 THR 118 13.136 -44.514 2.046 869 H HIS 119 H HIS 119 10.523 -40.613 0.704 870 HA HIS 119 HA HIS 119 8.488 -41.452 2.589 871 1HB HIS 119 1HB HIS 119 9.929 -39.451 2.830 872 2HB HIS 119 2HB HIS 119 9.122 -38.696 1.456 873 HD2 HIS 119 HD2 HIS 119 7.013 -37.276 2.039 874 HE1 HIS 119 HE1 HIS 119 6.352 -38.629 6.030 875 HE2 HIS 119 HE2 HIS 119 5.605 -36.968 4.249 876 H ILE 120 H ILE 120 8.383 -39.888 -0.622 877 HA ILE 120 HA ILE 120 5.562 -39.590 -0.840 878 HB ILE 120 HB ILE 120 7.667 -39.824 -3.006 879 1HG1 ILE 120 1HG1 ILE 120 6.355 -37.451 -1.581 880 2HG1 ILE 120 2HG1 ILE 120 8.018 -37.985 -1.376 881 1HG2 ILE 120 1HG2 ILE 120 5.401 -40.287 -3.926 882 2HG2 ILE 120 2HG2 ILE 120 4.792 -38.796 -3.175 883 3HG2 ILE 120 3HG2 ILE 120 5.998 -38.737 -4.479 884 1HD1 ILE 120 1HD1 ILE 120 8.479 -37.476 -3.784 885 2HD1 ILE 120 2HD1 ILE 120 6.863 -36.726 -3.879 886 3HD1 ILE 120 3HD1 ILE 120 8.080 -36.071 -2.777 887 H LYS 121 H LYS 121 7.654 -42.317 -1.866 888 HA LYS 121 HA LYS 121 5.566 -43.981 -2.971 889 1HB LYS 121 1HB LYS 121 8.276 -44.590 -1.708 890 2HB LYS 121 2HB LYS 121 7.236 -45.845 -2.394 891 1HG LYS 121 1HG LYS 121 7.320 -44.857 -4.594 892 2HG LYS 121 2HG LYS 121 8.192 -43.433 -3.997 893 1HD LYS 121 1HD LYS 121 10.089 -44.840 -3.334 894 2HD LYS 121 2HD LYS 121 9.261 -46.284 -3.939 895 1HE LYS 121 1HE LYS 121 10.004 -43.856 -5.640 896 2HE LYS 121 2HE LYS 121 11.018 -45.291 -5.473 897 1HZ LYS 121 1HZ LYS 121 9.660 -45.446 -7.458 898 2HZ LYS 121 2HZ LYS 121 9.206 -46.617 -6.421 899 3HZ LYS 121 3HZ LYS 121 8.275 -45.286 -6.615 900 H ASN 122 H ASN 122 6.803 -43.655 0.366 901 HA ASN 122 HA ASN 122 5.121 -45.724 1.449 902 1HB ASN 122 1HB ASN 122 6.776 -43.492 2.598 903 2HB ASN 122 2HB ASN 122 5.569 -44.263 3.623 904 1HD2 ASN 122 1HD2 ASN 122 8.605 -44.799 1.896 905 2HD2 ASN 122 2HD2 ASN 122 8.909 -46.364 2.653 906 H LEU 123 H LEU 123 4.376 -42.289 0.739 907 HA LEU 123 HA LEU 123 1.987 -42.101 2.287 908 1HB LEU 123 1HB LEU 123 2.305 -40.944 -0.507 909 2HB LEU 123 2HB LEU 123 1.243 -40.386 0.775 910 HG LEU 123 HG LEU 123 4.254 -40.162 0.661 911 1HD1 LEU 123 1HD1 LEU 123 2.091 -38.035 0.585 912 2HD1 LEU 123 2HD1 LEU 123 3.847 -37.758 0.501 913 3HD1 LEU 123 3HD1 LEU 123 3.026 -38.619 -0.810 914 1HD2 LEU 123 1HD2 LEU 123 2.419 -39.188 2.869 915 2HD2 LEU 123 2HD2 LEU 123 3.685 -40.441 2.982 916 3HD2 LEU 123 3HD2 LEU 123 4.141 -38.768 2.663 917 H ARG 124 H ARG 124 2.540 -43.461 -0.956 918 HA ARG 124 HA ARG 124 -0.202 -44.225 -1.508 919 1HB ARG 124 1HB ARG 124 2.400 -45.356 -2.641 920 2HB ARG 124 2HB ARG 124 0.779 -45.625 -3.279 921 1HG ARG 124 1HG ARG 124 0.549 -43.175 -3.727 922 2HG ARG 124 2HG ARG 124 2.181 -42.917 -3.096 923 1HD ARG 124 1HD ARG 124 2.330 -42.948 -5.474 924 2HD ARG 124 2HD ARG 124 3.093 -44.423 -4.856 925 HE ARG 124 HE ARG 124 0.325 -44.917 -5.482 926 1HH1 ARG 124 1HH1 ARG 124 3.348 -44.402 -7.173 927 2HH1 ARG 124 2HH1 ARG 124 2.829 -45.311 -8.566 928 1HH2 ARG 124 1HH2 ARG 124 -0.271 -46.070 -7.286 929 2HH2 ARG 124 2HH2 ARG 124 0.830 -46.223 -8.623 930 H LEU 125 H LEU 125 2.550 -45.970 -0.050 931 HA LEU 125 HA LEU 125 1.181 -48.486 0.255 932 1HB LEU 125 1HB LEU 125 3.469 -47.323 1.893 933 2HB LEU 125 2HB LEU 125 2.924 -48.993 1.941 934 HG LEU 125 HG LEU 125 4.123 -47.631 -0.504 935 1HD1 LEU 125 1HD1 LEU 125 5.274 -49.732 1.375 936 2HD1 LEU 125 2HD1 LEU 125 6.061 -49.062 -0.071 937 3HD1 LEU 125 3HD1 LEU 125 5.750 -48.021 1.324 938 1HD2 LEU 125 1HD2 LEU 125 4.254 -49.936 -1.423 939 2HD2 LEU 125 2HD2 LEU 125 3.315 -50.532 -0.036 940 3HD2 LEU 125 3HD2 LEU 125 2.585 -49.404 -1.204 941 H ARG 126 H ARG 126 1.337 -45.630 2.425 942 HA ARG 126 HA ARG 126 -0.202 -46.883 4.571 943 1HB ARG 126 1HB ARG 126 0.217 -43.937 3.903 944 2HB ARG 126 2HB ARG 126 -0.546 -44.548 5.363 945 1HG ARG 126 1HG ARG 126 2.376 -44.827 4.593 946 2HG ARG 126 2HG ARG 126 1.671 -43.860 5.866 947 1HD ARG 126 1HD ARG 126 2.545 -45.629 7.055 948 2HD ARG 126 2HD ARG 126 0.853 -46.075 6.907 949 HE ARG 126 HE ARG 126 1.498 -47.958 5.724 950 1HH1 ARG 126 1HH1 ARG 126 4.234 -45.763 5.603 951 2HH1 ARG 126 2HH1 ARG 126 5.221 -46.896 4.711 952 1HH2 ARG 126 1HH2 ARG 126 2.863 -49.403 4.725 953 2HH2 ARG 126 2HH2 ARG 126 4.495 -48.929 4.350 954 H GLU 127 H GLU 127 -1.111 -44.942 1.736 955 HA GLU 127 HA GLU 127 -3.915 -44.756 2.384 956 1HB GLU 127 1HB GLU 127 -2.708 -43.263 0.818 957 2HB GLU 127 2HB GLU 127 -2.509 -44.604 -0.317 958 1HG GLU 127 1HG GLU 127 -4.951 -44.767 -0.589 959 2HG GLU 127 2HG GLU 127 -5.194 -43.529 0.646 960 H GLN 128 H GLN 128 -2.034 -47.131 0.472 961 HA GLN 128 HA GLN 128 -4.193 -49.131 0.737 962 1HB GLN 128 1HB GLN 128 -4.633 -47.952 -1.394 963 2HB GLN 128 2HB GLN 128 -2.970 -48.214 -1.908 964 1HG GLN 128 1HG GLN 128 -4.462 -49.792 -3.010 965 2HG GLN 128 2HG GLN 128 -3.331 -50.639 -1.968 966 1HE2 GLN 128 1HE2 GLN 128 -4.416 -52.436 -1.118 967 2HE2 GLN 128 2HE2 GLN 128 -6.051 -52.365 -0.476 Start of MODEL 8 1 1H ALA 2 1H ALA 2 -38.251 19.502 21.250 2 HA ALA 2 HA ALA 2 -39.531 21.210 19.159 3 1HB ALA 2 1HB ALA 2 -39.525 23.092 20.736 4 2HB ALA 2 2HB ALA 2 -40.501 21.753 21.364 5 3HB ALA 2 3HB ALA 2 -38.872 22.045 22.015 6 H ASP 3 H ASP 3 -36.574 20.099 20.600 7 HA ASP 3 HA ASP 3 -34.871 22.277 19.690 8 1HB ASP 3 1HB ASP 3 -34.413 20.761 21.639 9 2HB ASP 3 2HB ASP 3 -34.188 19.426 20.510 10 H GLU 4 H GLU 4 -36.328 19.587 18.130 11 HA GLU 4 HA GLU 4 -34.975 20.115 15.580 12 1HB GLU 4 1HB GLU 4 -34.415 17.765 15.184 13 2HB GLU 4 2HB GLU 4 -33.519 18.407 16.554 14 1HG GLU 4 1HG GLU 4 -35.063 17.264 18.124 15 2HG GLU 4 2HG GLU 4 -36.018 16.665 16.767 16 H PHE 5 H PHE 5 -36.034 18.952 13.789 17 HA PHE 5 HA PHE 5 -38.830 18.021 14.275 18 1HB PHE 5 1HB PHE 5 -38.918 20.481 13.996 19 2HB PHE 5 2HB PHE 5 -38.097 20.344 12.449 20 HD1 PHE 5 HD1 PHE 5 -41.223 19.469 14.300 21 HD2 PHE 5 HD2 PHE 5 -39.332 19.830 10.438 22 HE1 PHE 5 HE1 PHE 5 -43.431 19.200 13.189 23 HE2 PHE 5 HE2 PHE 5 -41.540 19.560 9.334 24 HZ PHE 5 HZ PHE 5 -43.592 19.245 10.707 25 H GLY 6 H GLY 6 -36.235 18.535 11.884 26 1HA GLY 6 1HA GLY 6 -36.512 15.877 10.749 27 2HA GLY 6 2HA GLY 6 -37.140 17.128 9.662 28 H ASN 7 H ASN 7 -34.499 17.669 11.881 29 HA ASN 7 HA ASN 7 -32.746 18.801 9.961 30 1HB ASN 7 1HB ASN 7 -32.205 17.862 12.819 31 2HB ASN 7 2HB ASN 7 -31.260 19.036 11.913 32 1HD2 ASN 7 1HD2 ASN 7 -31.805 21.197 12.238 33 2HD2 ASN 7 2HD2 ASN 7 -33.326 21.707 12.956 34 H GLY 8 H GLY 8 -30.726 18.152 9.185 35 1HA GLY 8 1HA GLY 8 -29.182 15.935 9.766 36 2HA GLY 8 2HA GLY 8 -30.352 15.333 8.592 37 H ASP 9 H ASP 9 -27.754 15.196 7.954 38 HA ASP 9 HA ASP 9 -27.539 16.810 5.537 39 1HB ASP 9 1HB ASP 9 -25.346 17.740 6.009 40 2HB ASP 9 2HB ASP 9 -26.521 18.349 7.158 41 H ALA 10 H ALA 10 -25.933 16.016 4.056 42 HA ALA 10 HA ALA 10 -25.499 13.130 4.250 43 1HB ALA 10 1HB ALA 10 -24.769 15.165 2.095 44 2HB ALA 10 2HB ALA 10 -24.705 13.398 1.930 45 3HB ALA 10 3HB ALA 10 -26.267 14.205 2.165 46 H LEU 11 H LEU 11 -23.532 12.032 4.316 47 HA LEU 11 HA LEU 11 -20.971 13.369 4.339 48 1HB LEU 11 1HB LEU 11 -21.944 13.653 6.704 49 2HB LEU 11 2HB LEU 11 -21.934 11.899 6.838 50 HG LEU 11 HG LEU 11 -19.432 11.946 6.541 51 1HD1 LEU 11 1HD1 LEU 11 -18.264 14.118 6.882 52 2HD1 LEU 11 2HD1 LEU 11 -19.128 14.064 5.342 53 3HD1 LEU 11 3HD1 LEU 11 -19.817 14.961 6.713 54 1HD2 LEU 11 1HD2 LEU 11 -18.949 12.815 8.787 55 2HD2 LEU 11 2HD2 LEU 11 -20.514 13.661 8.807 56 3HD2 LEU 11 3HD2 LEU 11 -20.454 11.885 8.777 57 H ASP 12 H ASP 12 -19.318 11.923 4.041 58 HA ASP 12 HA ASP 12 -19.950 9.038 3.510 59 1HB ASP 12 1HB ASP 12 -18.197 10.953 1.923 60 2HB ASP 12 2HB ASP 12 -18.307 9.222 1.625 61 H LEU 13 H LEU 13 -18.737 10.447 5.883 62 HA LEU 13 HA LEU 13 -16.102 9.040 6.123 63 1HB LEU 13 1HB LEU 13 -17.203 11.624 7.319 64 2HB LEU 13 2HB LEU 13 -15.840 10.790 8.020 65 HG LEU 13 HG LEU 13 -14.468 11.158 6.070 66 1HD1 LEU 13 1HD1 LEU 13 -15.986 11.175 4.194 67 2HD1 LEU 13 2HD1 LEU 13 -16.894 12.556 4.870 68 3HD1 LEU 13 3HD1 LEU 13 -15.227 12.753 4.276 69 1HD2 LEU 13 1HD2 LEU 13 -15.908 13.698 6.946 70 2HD2 LEU 13 2HD2 LEU 13 -14.623 12.877 7.852 71 3HD2 LEU 13 3HD2 LEU 13 -14.267 13.595 6.279 72 HA PRO 14 HA PRO 14 -18.048 6.794 9.510 73 1HB PRO 14 1HB PRO 14 -15.927 6.135 11.099 74 2HB PRO 14 2HB PRO 14 -16.158 5.424 9.470 75 1HG PRO 14 1HG PRO 14 -14.419 7.778 10.250 76 2HG PRO 14 2HG PRO 14 -13.960 6.362 9.263 77 1HD PRO 14 1HD PRO 14 -14.704 8.722 8.133 78 2HD PRO 14 2HD PRO 14 -15.148 7.157 7.390 79 H VAL 15 H VAL 15 -18.667 7.071 11.747 80 HA VAL 15 HA VAL 15 -17.794 9.579 13.109 81 HB VAL 15 HB VAL 15 -20.713 8.837 12.672 82 1HG1 VAL 15 1HG1 VAL 15 -21.147 11.052 13.715 83 2HG1 VAL 15 2HG1 VAL 15 -20.343 9.960 14.841 84 3HG1 VAL 15 3HG1 VAL 15 -19.410 11.242 14.034 85 1HG2 VAL 15 1HG2 VAL 15 -19.071 11.117 11.485 86 2HG2 VAL 15 2HG2 VAL 15 -19.811 9.768 10.593 87 3HG2 VAL 15 3HG2 VAL 15 -20.839 10.961 11.381 88 H GLY 16 H GLY 16 -17.143 9.107 15.035 89 1HA GLY 16 1HA GLY 16 -17.390 8.499 17.270 90 2HA GLY 16 2HA GLY 16 -18.698 7.397 16.875 91 H LYS 17 H LYS 17 -16.770 6.770 18.676 92 HA LYS 17 HA LYS 17 -14.509 5.297 17.821 93 1HB LYS 17 1HB LYS 17 -14.852 6.094 20.087 94 2HB LYS 17 2HB LYS 17 -16.262 5.053 20.303 95 1HG LYS 17 1HG LYS 17 -14.918 3.063 20.293 96 2HG LYS 17 2HG LYS 17 -13.479 3.946 19.752 97 1HD LYS 17 1HD LYS 17 -13.416 5.219 21.837 98 2HD LYS 17 2HD LYS 17 -14.883 4.432 22.422 99 1HE LYS 17 1HE LYS 17 -12.279 2.972 21.754 100 2HE LYS 17 2HE LYS 17 -12.697 3.551 23.362 101 1HZ LYS 17 1HZ LYS 17 -14.660 2.116 23.330 102 2HZ LYS 17 2HZ LYS 17 -14.291 1.553 21.839 103 3HZ LYS 17 3HZ LYS 17 -13.309 1.228 23.102 104 H ASP 18 H ASP 18 -17.866 4.210 18.062 105 HA ASP 18 HA ASP 18 -17.361 1.402 17.709 106 1HB ASP 18 1HB ASP 18 -19.792 3.107 17.025 107 2HB ASP 18 2HB ASP 18 -19.754 1.346 16.967 108 H ALA 19 H ALA 19 -18.113 3.990 15.297 109 HA ALA 19 HA ALA 19 -18.052 2.285 13.002 110 1HB ALA 19 1HB ALA 19 -17.456 5.270 13.232 111 2HB ALA 19 2HB ALA 19 -17.833 4.383 11.739 112 3HB ALA 19 3HB ALA 19 -19.066 4.538 13.007 113 H VAL 20 H VAL 20 -15.478 4.227 14.585 114 HA VAL 20 HA VAL 20 -13.390 3.576 12.715 115 HB VAL 20 HB VAL 20 -13.270 4.411 15.639 116 1HG1 VAL 20 1HG1 VAL 20 -11.175 3.320 15.236 117 2HG1 VAL 20 2HG1 VAL 20 -11.047 4.004 13.602 118 3HG1 VAL 20 3HG1 VAL 20 -10.864 5.044 15.027 119 1HG2 VAL 20 1HG2 VAL 20 -12.789 5.931 13.033 120 2HG2 VAL 20 2HG2 VAL 20 -14.203 6.110 14.089 121 3HG2 VAL 20 3HG2 VAL 20 -12.609 6.592 14.674 122 H ASN 21 H ASN 21 -14.417 1.935 15.757 123 HA ASN 21 HA ASN 21 -12.383 -0.078 15.677 124 1HB ASN 21 1HB ASN 21 -15.036 0.266 17.074 125 2HB ASN 21 2HB ASN 21 -14.358 -1.349 17.007 126 1HD2 ASN 21 1HD2 ASN 21 -13.839 1.900 18.247 127 2HD2 ASN 21 2HD2 ASN 21 -12.530 1.429 19.343 128 H SER 22 H SER 22 -15.630 -0.047 14.144 129 HA SER 22 HA SER 22 -15.400 -2.720 13.046 130 1HB SER 22 1HB SER 22 -17.082 -0.323 12.205 131 2HB SER 22 2HB SER 22 -17.223 -1.954 11.514 132 HG SER 22 HG SER 22 -18.716 -1.589 13.238 133 H LEU 23 H LEU 23 -14.646 0.545 11.737 134 HA LEU 23 HA LEU 23 -13.932 -0.234 9.113 135 1HB LEU 23 1HB LEU 23 -14.378 2.086 9.916 136 2HB LEU 23 2HB LEU 23 -12.891 2.040 10.860 137 HG LEU 23 HG LEU 23 -11.583 1.814 8.725 138 1HD1 LEU 23 1HD1 LEU 23 -14.288 2.407 7.432 139 2HD1 LEU 23 2HD1 LEU 23 -12.717 2.406 6.602 140 3HD1 LEU 23 3HD1 LEU 23 -13.371 0.899 7.253 141 1HD2 LEU 23 1HD2 LEU 23 -13.446 4.203 8.956 142 2HD2 LEU 23 2HD2 LEU 23 -11.907 3.991 9.819 143 3HD2 LEU 23 3HD2 LEU 23 -11.913 4.175 8.056 144 H ILE 24 H ILE 24 -11.871 0.002 12.041 145 HA ILE 24 HA ILE 24 -9.401 -0.737 10.775 146 HB ILE 24 HB ILE 24 -10.352 -1.009 13.649 147 1HG1 ILE 24 1HG1 ILE 24 -8.337 0.972 12.490 148 2HG1 ILE 24 2HG1 ILE 24 -10.047 1.341 12.587 149 1HG2 ILE 24 1HG2 ILE 24 -7.546 -1.387 12.505 150 2HG2 ILE 24 2HG2 ILE 24 -7.921 -1.285 14.239 151 3HG2 ILE 24 3HG2 ILE 24 -8.530 -2.629 13.300 152 1HD1 ILE 24 1HD1 ILE 24 -8.188 0.806 14.936 153 2HD1 ILE 24 2HD1 ILE 24 -9.024 2.303 14.520 154 3HD1 ILE 24 3HD1 ILE 24 -9.961 0.912 15.081 155 H ARG 25 H ARG 25 -11.937 -2.722 12.361 156 HA ARG 25 HA ARG 25 -10.588 -5.252 12.026 157 1HB ARG 25 1HB ARG 25 -13.479 -4.477 12.556 158 2HB ARG 25 2HB ARG 25 -12.945 -6.168 12.443 159 1HG ARG 25 1HG ARG 25 -11.519 -6.005 14.279 160 2HG ARG 25 2HG ARG 25 -11.611 -4.234 14.333 161 1HD ARG 25 1HD ARG 25 -14.016 -4.387 14.953 162 2HD ARG 25 2HD ARG 25 -13.920 -6.146 14.872 163 HE ARG 25 HE ARG 25 -13.011 -6.182 16.979 164 1HH1 ARG 25 1HH1 ARG 25 -12.464 -2.926 15.784 165 2HH1 ARG 25 2HH1 ARG 25 -11.980 -2.353 17.376 166 1HH2 ARG 25 1HH2 ARG 25 -12.309 -5.370 18.934 167 2HH2 ARG 25 2HH2 ARG 25 -11.834 -3.700 19.053 168 H GLU 26 H GLU 26 -13.018 -3.639 9.989 169 HA GLU 26 HA GLU 26 -13.192 -5.796 8.059 170 1HB GLU 26 1HB GLU 26 -13.965 -2.851 7.987 171 2HB GLU 26 2HB GLU 26 -14.246 -3.955 6.637 172 1HG GLU 26 1HG GLU 26 -15.597 -5.434 8.076 173 2HG GLU 26 2HG GLU 26 -15.365 -4.354 9.444 174 H ASN 27 H ASN 27 -10.738 -3.429 8.551 175 HA ASN 27 HA ASN 27 -9.509 -4.061 5.903 176 1HB ASN 27 1HB ASN 27 -9.695 -1.340 7.211 177 2HB ASN 27 2HB ASN 27 -8.849 -1.692 5.710 178 1HD2 ASN 27 1HD2 ASN 27 -11.932 -1.110 7.183 179 2HD2 ASN 27 2HD2 ASN 27 -12.850 -1.088 5.668 180 H SER 28 H SER 28 -8.896 -5.369 8.362 181 HA SER 28 HA SER 28 -6.760 -4.417 9.861 182 1HB SER 28 1HB SER 28 -6.227 -6.788 10.279 183 2HB SER 28 2HB SER 28 -7.964 -6.440 10.395 184 HG SER 28 HG SER 28 -7.625 -8.326 9.166 185 H HIS 29 H HIS 29 -6.611 -5.582 6.576 186 HA HIS 29 HA HIS 29 -3.783 -6.069 6.351 187 1HB HIS 29 1HB HIS 29 -4.274 -5.892 3.891 188 2HB HIS 29 2HB HIS 29 -5.237 -7.064 4.777 189 HD2 HIS 29 HD2 HIS 29 -7.872 -6.654 5.001 190 HE1 HIS 29 HE1 HIS 29 -8.125 -3.299 2.390 191 HE2 HIS 29 HE2 HIS 29 -9.467 -5.054 3.652 192 H ILE 30 H ILE 30 -5.524 -3.075 6.493 193 HA ILE 30 HA ILE 30 -3.014 -1.584 5.860 194 HB ILE 30 HB ILE 30 -4.451 0.217 4.895 195 1HG1 ILE 30 1HG1 ILE 30 -6.578 -1.956 4.703 196 2HG1 ILE 30 2HG1 ILE 30 -6.630 -0.581 5.800 197 1HG2 ILE 30 1HG2 ILE 30 -3.022 -1.320 3.561 198 2HG2 ILE 30 2HG2 ILE 30 -4.420 -2.388 3.329 199 3HG2 ILE 30 3HG2 ILE 30 -4.427 -0.739 2.672 200 1HD1 ILE 30 1HD1 ILE 30 -8.041 -0.169 3.874 201 2HD1 ILE 30 2HD1 ILE 30 -6.685 0.967 3.873 202 3HD1 ILE 30 3HD1 ILE 30 -6.686 -0.426 2.762 203 H PHE 31 H PHE 31 -5.675 -1.908 8.071 204 HA PHE 31 HA PHE 31 -4.708 0.521 9.560 205 1HB PHE 31 1HB PHE 31 -7.472 -0.706 9.614 206 2HB PHE 31 2HB PHE 31 -6.971 0.765 10.421 207 HD1 PHE 31 HD1 PHE 31 -5.478 1.892 7.780 208 HD2 PHE 31 HD2 PHE 31 -9.392 0.352 8.702 209 HE1 PHE 31 HE1 PHE 31 -6.388 2.979 5.750 210 HE2 PHE 31 HE2 PHE 31 -10.302 1.438 6.664 211 HZ PHE 31 HZ PHE 31 -8.791 2.680 5.159 212 H SER 32 H SER 32 -4.640 0.368 11.795 213 HA SER 32 HA SER 32 -5.340 -2.121 13.167 214 1HB SER 32 1HB SER 32 -3.137 -2.550 14.091 215 2HB SER 32 2HB SER 32 -3.066 -2.623 12.326 216 HG SER 32 HG SER 32 -2.365 -0.376 12.421 217 H ASP 33 H ASP 33 -4.951 -1.945 15.514 218 HA ASP 33 HA ASP 33 -6.195 0.263 16.661 219 1HB ASP 33 1HB ASP 33 -5.894 -2.048 17.592 220 2HB ASP 33 2HB ASP 33 -4.222 -1.641 17.985 221 H THR 34 H THR 34 -2.819 0.170 15.748 222 HA THR 34 HA THR 34 -2.416 2.838 17.007 223 HB THR 34 HB THR 34 -0.161 2.256 17.733 224 HG1 THR 34 HG1 THR 34 0.513 0.142 17.663 225 1HG2 THR 34 1HG2 THR 34 -0.634 0.880 19.645 226 2HG2 THR 34 2HG2 THR 34 -2.026 1.938 19.357 227 3HG2 THR 34 3HG2 THR 34 -2.101 0.222 18.890 228 H GLN 35 H GLN 35 -2.584 1.541 14.023 229 HA GLN 35 HA GLN 35 -0.749 3.545 12.934 230 1HB GLN 35 1HB GLN 35 0.733 1.573 13.569 231 2HB GLN 35 2HB GLN 35 -0.222 0.575 12.482 232 1HG GLN 35 1HG GLN 35 0.586 1.932 10.551 233 2HG GLN 35 2HG GLN 35 1.529 2.921 11.678 234 1HE2 GLN 35 1HE2 GLN 35 3.437 2.170 10.350 235 2HE2 GLN 35 2HE2 GLN 35 4.104 0.586 10.720 236 H CYS 36 H CYS 36 -1.158 4.095 10.834 237 HA CYS 36 HA CYS 36 -3.181 2.533 9.246 238 1HB CYS 36 1HB CYS 36 -4.062 4.722 10.039 239 2HB CYS 36 2HB CYS 36 -2.684 5.532 9.282 240 H LYS 37 H LYS 37 -2.212 1.577 7.505 241 HA LYS 37 HA LYS 37 0.437 2.387 6.529 242 1HB LYS 37 1HB LYS 37 -1.560 0.413 5.344 243 2HB LYS 37 2HB LYS 37 0.142 0.586 4.911 244 1HG LYS 37 1HG LYS 37 0.753 -0.055 7.290 245 2HG LYS 37 2HG LYS 37 -0.971 -0.396 7.572 246 1HD LYS 37 1HD LYS 37 -0.853 -1.889 5.474 247 2HD LYS 37 2HD LYS 37 0.904 -1.716 5.575 248 1HE LYS 37 1HE LYS 37 0.945 -2.779 7.766 249 2HE LYS 37 2HE LYS 37 -0.821 -2.719 7.883 250 1HZ LYS 37 1HZ LYS 37 0.676 -4.332 5.890 251 2HZ LYS 37 2HZ LYS 37 -0.080 -4.926 7.211 252 3HZ LYS 37 3HZ LYS 37 -0.960 -4.245 6.006 253 H VAL 38 H VAL 38 -2.885 2.719 5.215 254 HA VAL 38 HA VAL 38 -2.168 3.656 2.618 255 HB VAL 38 HB VAL 38 -4.631 4.145 4.324 256 1HG1 VAL 38 1HG1 VAL 38 -4.577 6.061 2.843 257 2HG1 VAL 38 2HG1 VAL 38 -4.166 5.032 1.443 258 3HG1 VAL 38 3HG1 VAL 38 -5.753 4.909 2.225 259 1HG2 VAL 38 1HG2 VAL 38 -5.635 2.605 2.644 260 2HG2 VAL 38 2HG2 VAL 38 -4.065 2.483 1.827 261 3HG2 VAL 38 3HG2 VAL 38 -4.256 1.854 3.465 262 H CYS 39 H CYS 39 -2.464 5.474 5.668 263 HA CYS 39 HA CYS 39 -1.598 7.975 4.322 264 1HB CYS 39 1HB CYS 39 -2.617 7.380 7.109 265 2HB CYS 39 2HB CYS 39 -2.323 8.972 6.418 266 H SER 40 H SER 40 -0.093 5.329 5.494 267 HA SER 40 HA SER 40 1.696 4.716 6.730 268 1HB SER 40 1HB SER 40 2.777 6.859 4.860 269 2HB SER 40 2HB SER 40 3.822 5.768 5.787 270 HG SER 40 HG SER 40 1.737 4.702 4.201 271 H ALA 41 H ALA 41 0.480 5.780 8.577 272 HA ALA 41 HA ALA 41 2.378 7.524 10.093 273 1HB ALA 41 1HB ALA 41 0.626 8.963 9.115 274 2HB ALA 41 2HB ALA 41 -0.634 7.943 9.850 275 3HB ALA 41 3HB ALA 41 0.470 8.880 10.880 276 H VAL 42 H VAL 42 2.393 7.323 12.285 277 HA VAL 42 HA VAL 42 1.211 4.842 13.429 278 HB VAL 42 HB VAL 42 3.372 6.663 14.574 279 1HG1 VAL 42 1HG1 VAL 42 2.472 3.855 15.376 280 2HG1 VAL 42 2HG1 VAL 42 3.864 4.728 16.050 281 3HG1 VAL 42 3HG1 VAL 42 2.237 5.336 16.329 282 1HG2 VAL 42 1HG2 VAL 42 3.620 3.993 13.110 283 2HG2 VAL 42 2HG2 VAL 42 4.205 5.567 12.525 284 3HG2 VAL 42 3HG2 VAL 42 4.942 4.835 13.948 285 H LEU 43 H LEU 43 -0.012 4.879 15.255 286 HA LEU 43 HA LEU 43 -1.310 7.444 16.082 287 1HB LEU 43 1HB LEU 43 -2.597 4.725 15.611 288 2HB LEU 43 2HB LEU 43 -3.423 6.195 16.077 289 HG LEU 43 HG LEU 43 -1.928 5.841 13.432 290 1HD1 LEU 43 1HD1 LEU 43 -3.816 4.301 13.542 291 2HD1 LEU 43 2HD1 LEU 43 -4.906 5.641 13.933 292 3HD1 LEU 43 3HD1 LEU 43 -4.083 5.599 12.369 293 1HD2 LEU 43 1HD2 LEU 43 -2.159 8.206 14.146 294 2HD2 LEU 43 2HD2 LEU 43 -3.148 7.831 12.738 295 3HD2 LEU 43 3HD2 LEU 43 -3.904 7.972 14.347 296 H ILE 44 H ILE 44 0.342 7.418 17.667 297 HA ILE 44 HA ILE 44 0.773 5.400 19.622 298 HB ILE 44 HB ILE 44 2.094 7.103 20.788 299 1HG1 ILE 44 1HG1 ILE 44 1.046 9.108 18.733 300 2HG1 ILE 44 2HG1 ILE 44 0.555 9.049 20.425 301 1HG2 ILE 44 1HG2 ILE 44 2.955 5.868 18.779 302 2HG2 ILE 44 2HG2 ILE 44 2.572 7.297 17.789 303 3HG2 ILE 44 3HG2 ILE 44 3.763 7.402 19.097 304 1HD1 ILE 44 1HD1 ILE 44 2.924 9.463 21.111 305 2HD1 ILE 44 2HD1 ILE 44 3.348 9.669 19.392 306 3HD1 ILE 44 3HD1 ILE 44 2.204 10.779 20.162 307 H SER 45 H SER 45 -2.061 7.010 19.443 308 HA SER 45 HA SER 45 -2.750 6.555 22.262 309 1HB SER 45 1HB SER 45 -1.883 8.826 22.381 310 2HB SER 45 2HB SER 45 -2.775 9.280 20.928 311 HG SER 45 HG SER 45 -3.971 9.994 22.615 312 H GLU 46 H GLU 46 -5.028 6.345 22.542 313 HA GLU 46 HA GLU 46 -6.547 5.564 20.204 314 1HB GLU 46 1HB GLU 46 -6.953 4.647 22.434 315 2HB GLU 46 2HB GLU 46 -7.579 6.211 22.991 316 1HG GLU 46 1HG GLU 46 -9.486 6.075 21.563 317 2HG GLU 46 2HG GLU 46 -8.717 4.910 20.496 318 H SER 47 H SER 47 -6.469 8.718 22.009 319 HA SER 47 HA SER 47 -8.665 9.832 20.517 320 1HB SER 47 1HB SER 47 -7.591 12.065 21.189 321 2HB SER 47 2HB SER 47 -8.197 10.978 22.439 322 HG SER 47 HG SER 47 -5.477 11.387 21.701 323 H GLN 48 H GLN 48 -5.183 9.661 19.853 324 HA GLN 48 HA GLN 48 -5.245 11.248 17.426 325 1HB GLN 48 1HB GLN 48 -3.284 9.328 18.719 326 2HB GLN 48 2HB GLN 48 -3.071 9.755 17.034 327 1HG GLN 48 1HG GLN 48 -1.766 11.210 18.563 328 2HG GLN 48 2HG GLN 48 -2.858 12.070 17.490 329 1HE2 GLN 48 1HE2 GLN 48 -3.487 13.924 18.617 330 2HE2 GLN 48 2HE2 GLN 48 -4.081 13.883 20.271 331 H LYS 49 H LYS 49 -5.575 7.723 18.084 332 HA LYS 49 HA LYS 49 -5.803 6.969 15.323 333 1HB LYS 49 1HB LYS 49 -5.745 4.916 16.191 334 2HB LYS 49 2HB LYS 49 -5.688 5.637 17.788 335 1HG LYS 49 1HG LYS 49 -8.183 5.498 17.910 336 2HG LYS 49 2HG LYS 49 -8.181 4.674 16.343 337 1HD LYS 49 1HD LYS 49 -6.867 2.823 17.328 338 2HD LYS 49 2HD LYS 49 -6.815 3.684 18.889 339 1HE LYS 49 1HE LYS 49 -9.375 3.786 18.725 340 2HE LYS 49 2HE LYS 49 -9.231 2.604 17.395 341 1HZ LYS 49 1HZ LYS 49 -9.556 1.283 19.263 342 2HZ LYS 49 2HZ LYS 49 -7.929 1.251 19.202 343 3HZ LYS 49 3HZ LYS 49 -8.731 2.232 20.275 344 H LEU 50 H LEU 50 -8.318 7.763 17.706 345 HA LEU 50 HA LEU 50 -10.543 7.416 15.931 346 1HB LEU 50 1HB LEU 50 -10.212 9.176 18.400 347 2HB LEU 50 2HB LEU 50 -11.734 8.955 17.542 348 HG LEU 50 HG LEU 50 -10.199 6.826 19.076 349 1HD1 LEU 50 1HD1 LEU 50 -12.988 7.991 19.431 350 2HD1 LEU 50 2HD1 LEU 50 -12.169 6.815 20.486 351 3HD1 LEU 50 3HD1 LEU 50 -11.555 8.468 20.367 352 1HD2 LEU 50 1HD2 LEU 50 -12.665 6.534 17.338 353 2HD2 LEU 50 2HD2 LEU 50 -11.113 5.664 17.198 354 3HD2 LEU 50 3HD2 LEU 50 -12.155 5.360 18.580 355 H ALA 51 H ALA 51 -8.568 10.361 16.571 356 HA ALA 51 HA ALA 51 -10.140 12.019 14.802 357 1HB ALA 51 1HB ALA 51 -7.245 12.280 15.759 358 2HB ALA 51 2HB ALA 51 -8.215 13.567 15.010 359 3HB ALA 51 3HB ALA 51 -8.679 12.918 16.595 360 H HIS 52 H HIS 52 -7.159 10.062 14.251 361 HA HIS 52 HA HIS 52 -6.761 10.937 11.560 362 1HB HIS 52 1HB HIS 52 -5.086 9.775 12.992 363 2HB HIS 52 2HB HIS 52 -5.998 8.271 12.825 364 HD1 HIS 52 HD1 HIS 52 -3.359 10.280 11.109 365 HD2 HIS 52 HD2 HIS 52 -6.258 7.402 10.085 366 HE1 HIS 52 HE1 HIS 52 -2.743 9.427 8.783 367 H TYR 53 H TYR 53 -8.434 7.947 12.785 368 HA TYR 53 HA TYR 53 -9.170 7.080 10.163 369 1HB TYR 53 1HB TYR 53 -10.216 6.361 12.912 370 2HB TYR 53 2HB TYR 53 -10.781 5.583 11.437 371 HD1 TYR 53 HD1 TYR 53 -8.723 4.882 9.784 372 HD2 TYR 53 HD2 TYR 53 -8.608 5.020 14.073 373 HE1 TYR 53 HE1 TYR 53 -6.748 3.368 9.775 374 HE2 TYR 53 HE2 TYR 53 -6.668 3.459 14.075 375 HH TYR 53 HH TYR 53 -5.269 2.182 12.801 376 H GLN 54 H GLN 54 -10.624 9.576 12.064 377 HA GLN 54 HA GLN 54 -13.096 9.550 10.382 378 1HB GLN 54 1HB GLN 54 -12.382 11.074 12.910 379 2HB GLN 54 2HB GLN 54 -13.883 11.284 12.002 380 1HG GLN 54 1HG GLN 54 -14.516 8.944 12.385 381 2HG GLN 54 2HG GLN 54 -12.999 8.645 13.236 382 1HE2 GLN 54 1HE2 GLN 54 -12.600 9.911 15.232 383 2HE2 GLN 54 2HE2 GLN 54 -14.000 10.371 16.220 384 H SER 55 H SER 55 -10.018 10.998 10.334 385 HA SER 55 HA SER 55 -10.569 13.655 9.538 386 1HB SER 55 1HB SER 55 -8.349 12.926 10.177 387 2HB SER 55 2HB SER 55 -8.263 11.823 8.790 388 HG SER 55 HG SER 55 -7.230 13.970 8.563 389 H ARG 56 H ARG 56 -10.862 14.695 7.652 390 HA ARG 56 HA ARG 56 -12.158 13.452 5.403 391 1HB ARG 56 1HB ARG 56 -12.441 15.822 6.177 392 2HB ARG 56 2HB ARG 56 -10.792 16.173 5.662 393 1HG ARG 56 1HG ARG 56 -12.235 17.027 3.978 394 2HG ARG 56 2HG ARG 56 -11.488 15.586 3.301 395 1HD ARG 56 1HD ARG 56 -13.794 15.566 2.694 396 2HD ARG 56 2HD ARG 56 -13.562 14.297 3.911 397 HE ARG 56 HE ARG 56 -14.329 16.494 5.401 398 1HH1 ARG 56 1HH1 ARG 56 -15.870 14.907 2.681 399 2HH1 ARG 56 2HH1 ARG 56 -17.459 15.401 3.186 400 1HH2 ARG 56 1HH2 ARG 56 -16.383 17.049 6.004 401 2HH2 ARG 56 2HH2 ARG 56 -17.737 16.560 5.033 402 H LYS 57 H LYS 57 -8.781 14.330 6.004 403 HA LYS 57 HA LYS 57 -7.812 13.793 3.309 404 1HB LYS 57 1HB LYS 57 -6.306 13.748 5.967 405 2HB LYS 57 2HB LYS 57 -5.579 13.803 4.365 406 1HG LYS 57 1HG LYS 57 -7.273 15.991 5.647 407 2HG LYS 57 2HG LYS 57 -5.522 15.983 5.448 408 1HD LYS 57 1HD LYS 57 -5.829 15.962 2.949 409 2HD LYS 57 2HD LYS 57 -7.579 16.029 3.194 410 1HE LYS 57 1HE LYS 57 -6.891 18.244 2.715 411 2HE LYS 57 2HE LYS 57 -7.319 18.187 4.425 412 1HZ LYS 57 1HZ LYS 57 -4.543 18.085 3.355 413 2HZ LYS 57 2HZ LYS 57 -5.237 19.393 4.037 414 3HZ LYS 57 3HZ LYS 57 -4.934 18.074 4.944 415 H HIS 58 H HIS 58 -7.967 11.831 6.278 416 HA HIS 58 HA HIS 58 -6.797 9.434 5.208 417 1HB HIS 58 1HB HIS 58 -7.037 9.716 7.588 418 2HB HIS 58 2HB HIS 58 -8.782 9.934 7.453 419 HD2 HIS 58 HD2 HIS 58 -10.325 7.790 7.152 420 HE1 HIS 58 HE1 HIS 58 -7.285 4.838 7.611 421 HE2 HIS 58 HE2 HIS 58 -9.800 5.231 7.471 422 H ALA 59 H ALA 59 -10.260 10.446 5.436 423 HA ALA 59 HA ALA 59 -11.344 8.160 4.173 424 1HB ALA 59 1HB ALA 59 -12.648 9.819 5.425 425 2HB ALA 59 2HB ALA 59 -12.349 11.041 4.167 426 3HB ALA 59 3HB ALA 59 -13.315 9.596 3.796 427 H ASN 60 H ASN 60 -10.152 11.204 2.639 428 HA ASN 60 HA ASN 60 -10.857 10.430 -0.051 429 1HB ASN 60 1HB ASN 60 -9.007 12.498 1.175 430 2HB ASN 60 2HB ASN 60 -8.910 12.149 -0.548 431 1HD2 ASN 60 1HD2 ASN 60 -11.071 13.397 1.979 432 2HD2 ASN 60 2HD2 ASN 60 -12.180 14.148 0.824 433 H LYS 61 H LYS 61 -7.740 10.055 1.757 434 HA LYS 61 HA LYS 61 -6.361 8.746 -0.415 435 1HB LYS 61 1HB LYS 61 -5.904 8.615 2.601 436 2HB LYS 61 2HB LYS 61 -4.866 7.847 1.389 437 1HG LYS 61 1HG LYS 61 -4.477 10.080 0.328 438 2HG LYS 61 2HG LYS 61 -5.404 10.826 1.626 439 1HD LYS 61 1HD LYS 61 -3.093 11.102 2.148 440 2HD LYS 61 2HD LYS 61 -3.772 9.942 3.281 441 1HE LYS 61 1HE LYS 61 -1.594 9.167 2.609 442 2HE LYS 61 2HE LYS 61 -2.796 8.071 1.930 443 1HZ LYS 61 1HZ LYS 61 -2.515 9.224 -0.212 444 2HZ LYS 61 2HZ LYS 61 -1.422 10.252 0.440 445 3HZ LYS 61 3HZ LYS 61 -1.079 8.663 0.316 446 H VAL 62 H VAL 62 -8.304 7.377 2.268 447 HA VAL 62 HA VAL 62 -7.855 4.625 1.531 448 HB VAL 62 HB VAL 62 -9.986 5.999 3.195 449 1HG1 VAL 62 1HG1 VAL 62 -9.573 2.999 2.801 450 2HG1 VAL 62 2HG1 VAL 62 -10.577 3.751 4.066 451 3HG1 VAL 62 3HG1 VAL 62 -11.029 3.928 2.377 452 1HG2 VAL 62 1HG2 VAL 62 -7.597 4.208 3.859 453 2HG2 VAL 62 2HG2 VAL 62 -7.635 5.964 4.066 454 3HG2 VAL 62 3HG2 VAL 62 -8.713 4.957 5.022 455 H ARG 63 H ARG 63 -10.584 6.850 0.630 456 HA ARG 63 HA ARG 63 -11.963 4.821 -0.894 457 1HB ARG 63 1HB ARG 63 -12.037 7.856 -1.004 458 2HB ARG 63 2HB ARG 63 -13.025 6.818 -2.050 459 1HG ARG 63 1HG ARG 63 -13.950 5.661 -0.050 460 2HG ARG 63 2HG ARG 63 -13.041 6.743 1.007 461 1HD ARG 63 1HD ARG 63 -14.238 8.686 0.068 462 2HD ARG 63 2HD ARG 63 -15.141 7.624 -1.015 463 HE ARG 63 HE ARG 63 -15.612 8.083 1.839 464 1HH1 ARG 63 1HH1 ARG 63 -16.253 5.761 -0.721 465 2HH1 ARG 63 2HH1 ARG 63 -17.560 5.030 0.169 466 1HH2 ARG 63 1HH2 ARG 63 -17.275 7.148 2.868 467 2HH2 ARG 63 2HH2 ARG 63 -18.116 5.782 2.164 468 H ARG 64 H ARG 64 -9.340 7.020 -1.828 469 HA ARG 64 HA ARG 64 -9.272 6.184 -4.609 470 1HB ARG 64 1HB ARG 64 -8.277 8.298 -3.793 471 2HB ARG 64 2HB ARG 64 -7.117 7.399 -2.822 472 1HG ARG 64 1HG ARG 64 -6.080 8.259 -4.819 473 2HG ARG 64 2HG ARG 64 -6.045 6.505 -4.863 474 1HD ARG 64 1HD ARG 64 -8.243 8.067 -6.274 475 2HD ARG 64 2HD ARG 64 -6.636 7.896 -6.995 476 HE ARG 64 HE ARG 64 -7.622 5.306 -6.230 477 1HH1 ARG 64 1HH1 ARG 64 -8.152 7.738 -8.703 478 2HH1 ARG 64 2HH1 ARG 64 -8.569 6.557 -9.912 479 1HH2 ARG 64 1HH2 ARG 64 -8.129 3.840 -7.862 480 2HH2 ARG 64 2HH2 ARG 64 -8.567 4.424 -9.436 481 H TYR 65 H TYR 65 -7.533 5.046 -1.677 482 HA TYR 65 HA TYR 65 -5.918 3.111 -3.021 483 1HB TYR 65 1HB TYR 65 -5.562 4.078 -0.719 484 2HB TYR 65 2HB TYR 65 -6.845 3.027 -0.129 485 HD1 TYR 65 HD1 TYR 65 -6.484 0.559 -0.019 486 HD2 TYR 65 HD2 TYR 65 -3.398 3.226 -1.424 487 HE1 TYR 65 HE1 TYR 65 -4.804 -1.267 0.200 488 HE2 TYR 65 HE2 TYR 65 -1.718 1.406 -1.189 489 HH TYR 65 HH TYR 65 -1.339 -0.758 -0.573 490 H MET 66 H MET 66 -9.172 2.778 -1.520 491 HA MET 66 HA MET 66 -9.465 -0.050 -1.837 492 1HB MET 66 1HB MET 66 -11.491 2.222 -1.834 493 2HB MET 66 2HB MET 66 -11.952 0.522 -1.890 494 1HG MET 66 1HG MET 66 -10.342 1.786 0.360 495 2HG MET 66 2HG MET 66 -12.074 1.507 0.362 496 1HE MET 66 1HE MET 66 -8.560 -0.525 0.003 497 2HE MET 66 2HE MET 66 -8.811 0.375 1.518 498 3HE MET 66 3HE MET 66 -8.806 -1.400 1.521 499 H ALA 67 H ALA 67 -9.678 2.517 -4.201 500 HA ALA 67 HA ALA 67 -10.777 0.779 -6.309 501 1HB ALA 67 1HB ALA 67 -10.705 2.871 -7.621 502 2HB ALA 67 2HB ALA 67 -11.521 3.112 -6.067 503 3HB ALA 67 3HB ALA 67 -9.855 3.683 -6.285 504 H ILE 68 H ILE 68 -7.863 0.691 -4.959 505 HA ILE 68 HA ILE 68 -6.367 0.166 -7.503 506 HB ILE 68 HB ILE 68 -5.345 1.575 -5.006 507 1HG1 ILE 68 1HG1 ILE 68 -5.456 2.590 -7.884 508 2HG1 ILE 68 2HG1 ILE 68 -6.667 2.971 -6.667 509 1HG2 ILE 68 1HG2 ILE 68 -3.154 1.715 -6.180 510 2HG2 ILE 68 2HG2 ILE 68 -3.592 0.057 -5.858 511 3HG2 ILE 68 3HG2 ILE 68 -3.801 0.714 -7.496 512 1HD1 ILE 68 1HD1 ILE 68 -5.167 4.823 -6.805 513 2HD1 ILE 68 2HD1 ILE 68 -4.931 4.025 -5.237 514 3HD1 ILE 68 3HD1 ILE 68 -3.752 3.800 -6.556 515 H ASN 69 H ASN 69 -6.515 -0.575 -3.943 516 HA ASN 69 HA ASN 69 -5.746 -3.368 -4.541 517 1HB ASN 69 1HB ASN 69 -3.618 -2.017 -4.295 518 2HB ASN 69 2HB ASN 69 -4.131 -1.581 -2.669 519 1HD2 ASN 69 1HD2 ASN 69 -2.676 -2.703 -1.354 520 2HD2 ASN 69 2HD2 ASN 69 -2.391 -4.434 -1.514 521 H GLN 70 H GLN 70 -5.750 -4.762 -2.628 522 HA GLN 70 HA GLN 70 -7.227 -4.031 -0.223 523 1HB GLN 70 1HB GLN 70 -9.090 -5.464 -0.520 524 2HB GLN 70 2HB GLN 70 -9.058 -4.339 -1.865 525 1HG GLN 70 1HG GLN 70 -8.050 -7.208 -1.949 526 2HG GLN 70 2HG GLN 70 -9.643 -6.692 -2.480 527 1HE2 GLN 70 1HE2 GLN 70 -6.604 -7.474 -3.668 528 2HE2 GLN 70 2HE2 GLN 70 -6.694 -6.562 -5.166 529 H GLY 71 H GLY 71 -7.655 -6.209 1.088 530 1HA GLY 71 1HA GLY 71 -5.796 -8.404 0.626 531 2HA GLY 71 2HA GLY 71 -5.283 -7.325 1.923 532 H GLU 72 H GLU 72 -5.533 -9.551 2.991 533 HA GLU 72 HA GLU 72 -8.007 -9.563 4.581 534 1HB GLU 72 1HB GLU 72 -8.616 -10.853 2.532 535 2HB GLU 72 2HB GLU 72 -7.307 -11.988 2.872 536 1HG GLU 72 1HG GLU 72 -8.414 -12.647 4.981 537 2HG GLU 72 2HG GLU 72 -9.658 -11.417 4.733 538 H ASP 73 H ASP 73 -4.923 -11.261 3.858 539 HA ASP 73 HA ASP 73 -4.811 -12.677 6.355 540 1HB ASP 73 1HB ASP 73 -3.844 -13.501 4.260 541 2HB ASP 73 2HB ASP 73 -2.684 -12.172 4.248 542 H SER 74 H SER 74 -5.215 -10.775 7.754 543 HA SER 74 HA SER 74 -2.715 -9.854 8.998 544 1HB SER 74 1HB SER 74 -3.333 -8.171 7.173 545 2HB SER 74 2HB SER 74 -4.756 -7.784 8.157 546 HG SER 74 HG SER 74 -3.216 -6.398 8.870 547 H VAL 75 H VAL 75 -3.438 -8.227 10.879 548 HA VAL 75 HA VAL 75 -5.788 -9.348 12.320 549 HB VAL 75 HB VAL 75 -3.866 -10.531 13.091 550 1HG1 VAL 75 1HG1 VAL 75 -2.060 -8.880 12.681 551 2HG1 VAL 75 2HG1 VAL 75 -2.654 -7.909 14.047 552 3HG1 VAL 75 3HG1 VAL 75 -2.026 -9.542 14.318 553 1HG2 VAL 75 1HG2 VAL 75 -4.780 -8.581 15.233 554 2HG2 VAL 75 2HG2 VAL 75 -5.681 -10.020 14.687 555 3HG2 VAL 75 3HG2 VAL 75 -4.107 -10.201 15.472 556 HA PRO 76 HA PRO 76 -6.689 -4.965 12.747 557 1HB PRO 76 1HB PRO 76 -8.458 -5.743 15.036 558 2HB PRO 76 2HB PRO 76 -8.872 -4.862 13.543 559 1HG PRO 76 1HG PRO 76 -9.613 -7.463 13.938 560 2HG PRO 76 2HG PRO 76 -9.116 -6.870 12.324 561 1HD PRO 76 1HD PRO 76 -7.489 -8.423 14.327 562 2HD PRO 76 2HD PRO 76 -7.639 -8.619 12.553 563 H ALA 77 H ALA 77 -6.045 -6.879 15.637 564 HA ALA 77 HA ALA 77 -5.419 -4.681 17.414 565 1HB ALA 77 1HB ALA 77 -4.908 -7.683 17.657 566 2HB ALA 77 2HB ALA 77 -4.911 -6.504 18.985 567 3HB ALA 77 3HB ALA 77 -6.413 -6.853 18.121 568 H LYS 78 H LYS 78 -3.292 -5.080 18.764 569 HA LYS 78 HA LYS 78 -0.892 -5.354 17.016 570 1HB LYS 78 1HB LYS 78 -1.841 -2.872 17.909 571 2HB LYS 78 2HB LYS 78 -0.721 -3.315 19.182 572 1HG LYS 78 1HG LYS 78 0.567 -2.091 17.657 573 2HG LYS 78 2HG LYS 78 1.012 -3.755 17.302 574 1HD LYS 78 1HD LYS 78 -0.451 -3.785 15.330 575 2HD LYS 78 2HD LYS 78 -1.123 -2.199 15.760 576 1HE LYS 78 1HE LYS 78 1.057 -1.132 15.454 577 2HE LYS 78 2HE LYS 78 1.810 -2.692 15.086 578 1HZ LYS 78 1HZ LYS 78 1.210 -1.391 13.074 579 2HZ LYS 78 2HZ LYS 78 0.448 -2.840 13.105 580 3HZ LYS 78 3HZ LYS 78 -0.384 -1.483 13.484 581 H LYS 79 H LYS 79 1.104 -5.695 18.321 582 HA LYS 79 HA LYS 79 0.683 -6.878 20.999 583 1HB LYS 79 1HB LYS 79 0.253 -8.650 19.323 584 2HB LYS 79 2HB LYS 79 1.864 -8.436 18.666 585 1HG LYS 79 1HG LYS 79 1.573 -10.440 20.043 586 2HG LYS 79 2HG LYS 79 2.874 -9.446 20.614 587 1HD LYS 79 1HD LYS 79 0.082 -9.529 21.850 588 2HD LYS 79 2HD LYS 79 1.415 -10.549 22.358 589 1HE LYS 79 1HE LYS 79 1.200 -7.538 22.703 590 2HE LYS 79 2HE LYS 79 1.173 -8.777 23.943 591 1HZ LYS 79 1HZ LYS 79 3.345 -7.697 23.780 592 2HZ LYS 79 2HZ LYS 79 3.487 -9.294 23.420 593 3HZ LYS 79 3HZ LYS 79 3.519 -8.156 22.227 594 H PHE 80 H PHE 80 1.882 -4.492 20.453 595 HA PHE 80 HA PHE 80 4.691 -4.447 20.172 596 1HB PHE 80 1HB PHE 80 2.947 -2.560 20.135 597 2HB PHE 80 2HB PHE 80 3.045 -2.556 21.887 598 HD1 PHE 80 HD1 PHE 80 4.839 -1.884 18.708 599 HD2 PHE 80 HD2 PHE 80 5.036 -1.629 23.003 600 HE1 PHE 80 HE1 PHE 80 6.790 -0.356 18.528 601 HE2 PHE 80 HE2 PHE 80 6.985 -0.096 22.825 602 HZ PHE 80 HZ PHE 80 7.863 0.543 20.586 603 H LYS 81 H LYS 81 6.349 -3.951 21.828 604 HA LYS 81 HA LYS 81 5.903 -5.135 24.539 605 1HB LYS 81 1HB LYS 81 8.121 -5.903 22.583 606 2HB LYS 81 2HB LYS 81 8.105 -6.316 24.299 607 1HG LYS 81 1HG LYS 81 6.014 -7.618 23.982 608 2HG LYS 81 2HG LYS 81 6.030 -7.212 22.259 609 1HD LYS 81 1HD LYS 81 6.891 -9.436 22.522 610 2HD LYS 81 2HD LYS 81 8.204 -8.376 21.994 611 1HE LYS 81 1HE LYS 81 9.039 -8.244 24.333 612 2HE LYS 81 2HE LYS 81 7.697 -9.258 24.877 613 1HZ LYS 81 1HZ LYS 81 9.817 -10.112 22.973 614 2HZ LYS 81 2HZ LYS 81 9.719 -10.561 24.538 615 3HZ LYS 81 3HZ LYS 81 8.581 -11.053 23.481 616 H ALA 82 H ALA 82 7.271 -4.464 26.131 617 HA ALA 82 HA ALA 82 9.454 -2.573 25.722 618 1HB ALA 82 1HB ALA 82 8.389 -0.766 27.062 619 2HB ALA 82 2HB ALA 82 7.484 -1.079 25.579 620 3HB ALA 82 3HB ALA 82 6.882 -1.705 27.133 621 H ALA 83 H ALA 83 10.140 -1.769 28.042 622 HA ALA 83 HA ALA 83 9.768 -3.854 30.120 623 1HB ALA 83 1HB ALA 83 11.712 -4.575 28.863 624 2HB ALA 83 2HB ALA 83 12.480 -2.987 29.043 625 3HB ALA 83 3HB ALA 83 12.203 -4.009 30.469 626 HA PRO 84 HA PRO 84 11.252 -0.018 32.483 627 1HB PRO 84 1HB PRO 84 11.681 2.411 31.339 628 2HB PRO 84 2HB PRO 84 12.927 1.125 31.357 629 1HG PRO 84 1HG PRO 84 11.001 1.818 29.116 630 2HG PRO 84 2HG PRO 84 12.774 1.575 29.014 631 1HD PRO 84 1HD PRO 84 10.991 -0.386 28.415 632 2HD PRO 84 2HD PRO 84 12.561 -0.753 29.190 633 H ALA 85 H ALA 85 9.974 1.555 33.555 634 HA ALA 85 HA ALA 85 7.584 2.724 32.336 635 1HB ALA 85 1HB ALA 85 6.829 0.409 32.851 636 2HB ALA 85 2HB ALA 85 7.361 0.607 34.535 637 3HB ALA 85 3HB ALA 85 6.022 1.585 33.897 638 H GLU 86 H GLU 86 6.352 4.030 33.978 639 HA GLU 86 HA GLU 86 8.192 5.542 35.704 640 1HB GLU 86 1HB GLU 86 5.240 5.917 35.049 641 2HB GLU 86 2HB GLU 86 6.213 7.019 36.033 642 1HG GLU 86 1HG GLU 86 7.790 7.297 34.089 643 2HG GLU 86 2HG GLU 86 6.669 6.362 33.097 644 H ILE 87 H ILE 87 6.709 2.719 36.288 645 HA ILE 87 HA ILE 87 6.409 3.193 39.216 646 HB ILE 87 HB ILE 87 4.648 1.335 37.549 647 1HG1 ILE 87 1HG1 ILE 87 2.819 2.938 38.660 648 2HG1 ILE 87 2HG1 ILE 87 4.123 4.116 38.634 649 1HG2 ILE 87 1HG2 ILE 87 4.626 2.030 40.523 650 2HG2 ILE 87 2HG2 ILE 87 3.423 1.025 39.687 651 3HG2 ILE 87 3HG2 ILE 87 5.078 0.464 39.797 652 1HD1 ILE 87 1HD1 ILE 87 4.257 3.824 36.132 653 2HD1 ILE 87 2HD1 ILE 87 2.983 2.593 36.237 654 3HD1 ILE 87 3HD1 ILE 87 2.634 4.277 36.665 655 H SER 88 H SER 88 7.615 1.859 40.405 656 HA SER 88 HA SER 88 8.868 -0.576 39.178 657 1HB SER 88 1HB SER 88 10.202 1.433 41.027 658 2HB SER 88 2HB SER 88 10.940 -0.032 40.353 659 HG SER 88 HG SER 88 11.485 1.845 39.152 660 H ASP 89 H ASP 89 6.592 0.055 41.262 661 HA ASP 89 HA ASP 89 7.378 -2.052 43.233 662 1HB ASP 89 1HB ASP 89 7.473 0.308 44.128 663 2HB ASP 89 2HB ASP 89 5.750 0.455 43.798 664 H GLY 90 H GLY 90 5.576 -1.727 40.631 665 1HA GLY 90 1HA GLY 90 3.778 -3.824 41.078 666 2HA GLY 90 2HA GLY 90 2.878 -2.336 41.384 667 H GLU 91 H GLU 91 1.736 -3.518 39.542 668 HA GLU 91 HA GLU 91 2.397 -2.203 36.964 669 1HB GLU 91 1HB GLU 91 3.331 -4.628 37.177 670 2HB GLU 91 2HB GLU 91 1.653 -5.154 37.076 671 1HG GLU 91 1HG GLU 91 1.488 -3.992 34.853 672 2HG GLU 91 2HG GLU 91 3.154 -3.458 35.022 673 H ASP 92 H ASP 92 0.612 -1.485 38.926 674 HA ASP 92 HA ASP 92 -1.865 -2.337 39.279 675 1HB ASP 92 1HB ASP 92 -0.772 -0.357 40.288 676 2HB ASP 92 2HB ASP 92 -1.148 0.577 38.841 677 H ARG 93 H ARG 93 -1.189 -0.351 36.352 678 HA ARG 93 HA ARG 93 -3.767 -1.332 35.180 679 1HB ARG 93 1HB ARG 93 -2.673 1.466 34.715 680 2HB ARG 93 2HB ARG 93 -4.131 0.759 34.048 681 1HG ARG 93 1HG ARG 93 -3.621 1.750 36.842 682 2HG ARG 93 2HG ARG 93 -4.794 2.310 35.663 683 1HD ARG 93 1HD ARG 93 -4.914 -0.091 37.463 684 2HD ARG 93 2HD ARG 93 -6.036 1.234 37.328 685 HE ARG 93 HE ARG 93 -6.608 0.305 35.010 686 1HH1 ARG 93 1HH1 ARG 93 -5.470 -1.924 37.477 687 2HH1 ARG 93 2HH1 ARG 93 -6.680 -3.113 37.086 688 1HH2 ARG 93 1HH2 ARG 93 -7.722 -1.497 34.278 689 2HH2 ARG 93 2HH2 ARG 93 -7.866 -2.895 35.293 690 H SER 94 H SER 94 -3.200 -2.664 33.648 691 HA SER 94 HA SER 94 -1.331 -1.869 31.491 692 1HB SER 94 1HB SER 94 0.120 -3.889 31.857 693 2HB SER 94 2HB SER 94 0.237 -2.706 33.164 694 HG SER 94 HG SER 94 -0.863 -4.009 34.495 695 H LYS 95 H LYS 95 -3.924 -3.927 32.502 696 HA LYS 95 HA LYS 95 -3.824 -5.432 29.887 697 1HB LYS 95 1HB LYS 95 -4.462 -6.487 32.649 698 2HB LYS 95 2HB LYS 95 -4.644 -7.391 31.139 699 1HG LYS 95 1HG LYS 95 -2.233 -7.179 30.663 700 2HG LYS 95 2HG LYS 95 -2.020 -6.174 32.094 701 1HD LYS 95 1HD LYS 95 -2.949 -8.177 33.443 702 2HD LYS 95 2HD LYS 95 -2.644 -9.106 31.965 703 1HE LYS 95 1HE LYS 95 -0.673 -9.330 33.345 704 2HE LYS 95 2HE LYS 95 -0.252 -8.246 32.014 705 1HZ LYS 95 1HZ LYS 95 0.549 -7.290 34.080 706 2HZ LYS 95 2HZ LYS 95 -0.678 -6.358 33.584 707 3HZ LYS 95 3HZ LYS 95 -0.916 -7.429 34.797 708 H CYS 96 H CYS 96 -5.921 -3.734 32.136 709 HA CYS 96 HA CYS 96 -8.092 -3.858 30.172 710 1HB CYS 96 1HB CYS 96 -9.751 -4.726 31.755 711 2HB CYS 96 2HB CYS 96 -8.437 -5.889 31.567 712 HG CYS 96 HG CYS 96 -9.214 -5.887 34.064 713 H CYS 97 H CYS 97 -9.994 -2.572 30.856 714 HA CYS 97 HA CYS 97 -9.486 -0.355 32.752 715 1HB CYS 97 1HB CYS 97 -8.622 0.538 30.662 716 2HB CYS 97 2HB CYS 97 -10.103 0.071 29.815 717 HA PRO 98 HA PRO 98 -13.776 -1.986 32.969 718 1HB PRO 98 1HB PRO 98 -14.326 -1.389 35.589 719 2HB PRO 98 2HB PRO 98 -13.324 -2.787 35.090 720 1HG PRO 98 1HG PRO 98 -12.380 -0.053 36.004 721 2HG PRO 98 2HG PRO 98 -11.813 -1.662 36.555 722 1HD PRO 98 1HD PRO 98 -10.492 -0.222 34.654 723 2HD PRO 98 2HD PRO 98 -10.582 -2.008 34.575 724 H VAL 99 H VAL 99 -12.612 1.266 33.732 725 HA VAL 99 HA VAL 99 -15.116 2.638 33.952 726 HB VAL 99 HB VAL 99 -12.488 3.703 32.829 727 1HG1 VAL 99 1HG1 VAL 99 -13.310 5.902 33.630 728 2HG1 VAL 99 2HG1 VAL 99 -14.361 5.244 32.380 729 3HG1 VAL 99 3HG1 VAL 99 -14.858 5.160 34.086 730 1HG2 VAL 99 1HG2 VAL 99 -12.089 4.544 35.136 731 2HG2 VAL 99 2HG2 VAL 99 -13.526 3.663 35.697 732 3HG2 VAL 99 3HG2 VAL 99 -12.110 2.783 35.081 733 H CYS 100 H CYS 100 -13.188 1.694 31.145 734 HA CYS 100 HA CYS 100 -15.241 2.742 29.244 735 1HB CYS 100 1HB CYS 100 -12.344 1.888 28.891 736 2HB CYS 100 2HB CYS 100 -13.409 2.479 27.632 737 H ASN 101 H ASN 101 -14.332 -0.061 30.705 738 HA ASN 101 HA ASN 101 -14.594 -2.256 30.534 739 1HB ASN 101 1HB ASN 101 -16.962 -1.509 30.536 740 2HB ASN 101 2HB ASN 101 -16.966 -1.560 28.772 741 1HD2 ASN 101 1HD2 ASN 101 -18.667 -3.159 28.797 742 2HD2 ASN 101 2HD2 ASN 101 -18.311 -4.818 29.258 743 H MET 102 H MET 102 -12.499 -1.961 29.352 744 HA MET 102 HA MET 102 -12.545 -3.625 26.866 745 1HB MET 102 1HB MET 102 -10.983 -1.029 27.214 746 2HB MET 102 2HB MET 102 -10.767 -2.176 25.887 747 1HG MET 102 1HG MET 102 -13.249 -1.875 25.377 748 2HG MET 102 2HG MET 102 -13.201 -0.480 26.457 749 1HE MET 102 1HE MET 102 -10.215 0.712 25.808 750 2HE MET 102 2HE MET 102 -10.667 1.899 24.573 751 3HE MET 102 3HE MET 102 -11.688 1.687 26.014 752 H THR 103 H THR 103 -10.380 -4.397 26.241 753 HA THR 103 HA THR 103 -8.478 -4.904 28.466 754 HB THR 103 HB THR 103 -8.192 -7.222 27.634 755 HG1 THR 103 HG1 THR 103 -9.861 -8.089 26.374 756 1HG2 THR 103 1HG2 THR 103 -11.030 -6.634 28.582 757 2HG2 THR 103 2HG2 THR 103 -10.151 -8.171 28.729 758 3HG2 THR 103 3HG2 THR 103 -9.599 -6.750 29.628 759 H PHE 104 H PHE 104 -6.338 -5.397 27.811 760 HA PHE 104 HA PHE 104 -5.606 -4.545 25.039 761 1HB PHE 104 1HB PHE 104 -4.039 -3.708 27.481 762 2HB PHE 104 2HB PHE 104 -3.964 -3.067 25.863 763 HD1 PHE 104 HD1 PHE 104 -5.307 -2.570 29.124 764 HD2 PHE 104 HD2 PHE 104 -6.192 -1.904 24.957 765 HE1 PHE 104 HE1 PHE 104 -6.934 -0.805 29.748 766 HE2 PHE 104 HE2 PHE 104 -7.846 -0.167 25.589 767 HZ PHE 104 HZ PHE 104 -8.239 0.366 27.984 768 H SER 105 H SER 105 -3.729 -5.408 24.151 769 HA SER 105 HA SER 105 -2.927 -8.032 25.128 770 1HB SER 105 1HB SER 105 -1.622 -8.070 23.021 771 2HB SER 105 2HB SER 105 -3.317 -7.619 22.757 772 HG SER 105 HG SER 105 -1.874 -6.223 21.644 773 H SER 106 H SER 106 -1.610 -4.850 25.613 774 HA SER 106 HA SER 106 0.709 -5.958 27.007 775 1HB SER 106 1HB SER 106 2.364 -5.377 25.580 776 2HB SER 106 2HB SER 106 1.116 -5.458 24.344 777 HG SER 106 HG SER 106 2.323 -3.541 24.247 778 HA PRO 107 HA PRO 107 0.191 -2.316 29.478 779 1HB PRO 107 1HB PRO 107 2.741 -1.512 30.151 780 2HB PRO 107 2HB PRO 107 1.937 -2.952 30.839 781 1HG PRO 107 1HG PRO 107 3.898 -2.839 28.536 782 2HG PRO 107 2HG PRO 107 3.894 -3.956 29.939 783 1HD PRO 107 1HD PRO 107 2.886 -4.687 27.537 784 2HD PRO 107 2HD PRO 107 2.094 -5.208 29.051 785 H VAL 108 H VAL 108 2.304 -2.040 26.621 786 HA VAL 108 HA VAL 108 2.219 0.887 26.548 787 HB VAL 108 HB VAL 108 2.927 -1.068 24.324 788 1HG1 VAL 108 1HG1 VAL 108 3.460 1.922 24.652 789 2HG1 VAL 108 2HG1 VAL 108 4.145 0.895 23.376 790 3HG1 VAL 108 3HG1 VAL 108 2.405 1.169 23.435 791 1HG2 VAL 108 1HG2 VAL 108 4.652 0.381 26.386 792 2HG2 VAL 108 2HG2 VAL 108 4.465 -1.377 26.198 793 3HG2 VAL 108 3HG2 VAL 108 5.290 -0.439 24.952 794 H VAL 109 H VAL 109 0.345 -1.779 25.070 795 HA VAL 109 HA VAL 109 -1.368 -0.074 23.469 796 HB VAL 109 HB VAL 109 -1.891 -2.862 24.592 797 1HG1 VAL 109 1HG1 VAL 109 -3.290 -1.350 22.343 798 2HG1 VAL 109 2HG1 VAL 109 -3.566 -3.047 22.790 799 3HG1 VAL 109 3HG1 VAL 109 -4.007 -1.753 23.911 800 1HG2 VAL 109 1HG2 VAL 109 0.068 -2.786 23.051 801 2HG2 VAL 109 2HG2 VAL 109 -1.297 -3.574 22.265 802 3HG2 VAL 109 3HG2 VAL 109 -0.895 -1.897 21.857 803 H ALA 110 H ALA 110 -1.569 -1.312 26.826 804 HA ALA 110 HA ALA 110 -4.103 -0.155 27.485 805 1HB ALA 110 1HB ALA 110 -1.715 -0.724 29.292 806 2HB ALA 110 2HB ALA 110 -3.404 -0.519 29.793 807 3HB ALA 110 3HB ALA 110 -2.934 -1.915 28.801 808 H GLU 111 H GLU 111 -0.757 1.123 28.018 809 HA GLU 111 HA GLU 111 -1.540 3.636 29.092 810 1HB GLU 111 1HB GLU 111 0.931 2.697 27.604 811 2HB GLU 111 2HB GLU 111 0.770 4.360 28.160 812 1HG GLU 111 1HG GLU 111 0.463 2.004 30.063 813 2HG GLU 111 2HG GLU 111 2.020 2.736 29.691 814 H SER 112 H SER 112 -1.175 2.659 25.663 815 HA SER 112 HA SER 112 -1.433 5.254 24.499 816 1HB SER 112 1HB SER 112 -2.401 2.586 23.391 817 2HB SER 112 2HB SER 112 -2.191 4.084 22.473 818 HG SER 112 HG SER 112 -0.159 2.594 23.814 819 H HIS 113 H HIS 113 -3.937 3.005 25.714 820 HA HIS 113 HA HIS 113 -6.163 4.698 24.817 821 1HB HIS 113 1HB HIS 113 -6.650 2.388 25.002 822 2HB HIS 113 2HB HIS 113 -5.902 2.255 26.591 823 HD1 HIS 113 HD1 HIS 113 -9.116 3.840 25.030 824 HD2 HIS 113 HD2 HIS 113 -7.338 2.793 28.719 825 HE1 HIS 113 HE1 HIS 113 -10.849 4.278 26.819 826 H TYR 114 H TYR 114 -4.587 4.022 28.005 827 HA TYR 114 HA TYR 114 -6.213 5.753 29.536 828 1HB TYR 114 1HB TYR 114 -3.444 4.615 29.951 829 2HB TYR 114 2HB TYR 114 -4.128 5.745 31.100 830 HD1 TYR 114 HD1 TYR 114 -3.876 2.293 30.342 831 HD2 TYR 114 HD2 TYR 114 -6.516 5.247 32.032 832 HE1 TYR 114 HE1 TYR 114 -5.132 0.493 31.506 833 HE2 TYR 114 HE2 TYR 114 -7.716 3.446 33.278 834 HH TYR 114 HH TYR 114 -6.938 -0.002 32.791 835 H ILE 115 H ILE 115 -3.122 6.607 27.876 836 HA ILE 115 HA ILE 115 -3.152 9.293 29.032 837 HB ILE 115 HB ILE 115 -1.227 9.773 27.712 838 1HG1 ILE 115 1HG1 ILE 115 -0.324 7.534 26.403 839 2HG1 ILE 115 2HG1 ILE 115 -2.045 7.443 26.033 840 1HG2 ILE 115 1HG2 ILE 115 -0.975 8.512 29.798 841 2HG2 ILE 115 2HG2 ILE 115 -0.990 6.986 28.894 842 3HG2 ILE 115 3HG2 ILE 115 0.312 8.158 28.638 843 1HD1 ILE 115 1HD1 ILE 115 -0.273 9.867 25.527 844 2HD1 ILE 115 2HD1 ILE 115 -0.749 8.658 24.322 845 3HD1 ILE 115 3HD1 ILE 115 -1.982 9.700 25.059 846 H GLY 116 H GLY 116 -4.810 7.910 26.373 847 1HA GLY 116 1HA GLY 116 -4.943 10.294 24.713 848 2HA GLY 116 2HA GLY 116 -5.890 8.820 24.528 849 H LYS 117 H LYS 117 -6.794 11.506 24.226 850 HA LYS 117 HA LYS 117 -8.272 12.490 26.485 851 1HB LYS 117 1HB LYS 117 -9.008 12.828 23.547 852 2HB LYS 117 2HB LYS 117 -9.519 13.844 24.880 853 1HG LYS 117 1HG LYS 117 -6.691 13.573 23.774 854 2HG LYS 117 2HG LYS 117 -7.779 14.930 23.555 855 1HD LYS 117 1HD LYS 117 -6.533 14.070 26.205 856 2HD LYS 117 2HD LYS 117 -6.020 15.415 25.185 857 1HE LYS 117 1HE LYS 117 -8.315 16.433 25.447 858 2HE LYS 117 2HE LYS 117 -8.708 15.157 26.606 859 1HZ LYS 117 1HZ LYS 117 -6.515 17.144 26.909 860 2HZ LYS 117 2HZ LYS 117 -7.920 17.158 27.732 861 3HZ LYS 117 3HZ LYS 117 -6.839 15.960 27.986 862 H THR 118 H THR 118 -9.019 9.882 24.283 863 HA THR 118 HA THR 118 -11.806 9.636 24.592 864 HB THR 118 HB THR 118 -9.859 7.309 24.408 865 HG1 THR 118 HG1 THR 118 -10.784 9.017 22.344 866 1HG2 THR 118 1HG2 THR 118 -12.627 7.792 23.205 867 2HG2 THR 118 2HG2 THR 118 -11.592 6.375 22.915 868 3HG2 THR 118 3HG2 THR 118 -12.242 6.672 24.533 869 H HIS 119 H HIS 119 -9.196 8.338 26.726 870 HA HIS 119 HA HIS 119 -11.042 7.020 28.550 871 1HB HIS 119 1HB HIS 119 -8.671 6.382 28.360 872 2HB HIS 119 2HB HIS 119 -8.178 7.967 28.964 873 HD2 HIS 119 HD2 HIS 119 -8.142 8.295 31.577 874 HE1 HIS 119 HE1 HIS 119 -9.994 4.632 32.743 875 HE2 HIS 119 HE2 HIS 119 -8.808 6.724 33.588 876 H ILE 120 H ILE 120 -9.458 10.220 28.485 877 HA ILE 120 HA ILE 120 -10.401 11.150 31.008 878 HB ILE 120 HB ILE 120 -9.518 12.695 28.558 879 1HG1 ILE 120 1HG1 ILE 120 -8.114 11.820 31.138 880 2HG1 ILE 120 2HG1 ILE 120 -7.844 11.131 29.542 881 1HG2 ILE 120 1HG2 ILE 120 -9.898 13.666 31.428 882 2HG2 ILE 120 2HG2 ILE 120 -9.220 14.616 30.088 883 3HG2 ILE 120 3HG2 ILE 120 -10.906 14.139 30.038 884 1HD1 ILE 120 1HD1 ILE 120 -6.018 12.585 29.990 885 2HD1 ILE 120 2HD1 ILE 120 -7.006 13.342 28.725 886 3HD1 ILE 120 3HD1 ILE 120 -7.080 13.935 30.406 887 H LYS 121 H LYS 121 -11.899 11.382 27.764 888 HA LYS 121 HA LYS 121 -14.229 12.890 28.556 889 1HB LYS 121 1HB LYS 121 -13.693 10.910 26.302 890 2HB LYS 121 2HB LYS 121 -15.244 11.737 26.497 891 1HG LYS 121 1HG LYS 121 -14.215 13.919 26.281 892 2HG LYS 121 2HG LYS 121 -12.590 13.212 26.229 893 1HD LYS 121 1HD LYS 121 -13.154 12.017 24.159 894 2HD LYS 121 2HD LYS 121 -14.778 12.723 24.169 895 1HE LYS 121 1HE LYS 121 -12.174 14.320 24.042 896 2HE LYS 121 2HE LYS 121 -13.111 13.838 22.626 897 1HZ LYS 121 1HZ LYS 121 -14.987 15.132 23.493 898 2HZ LYS 121 2HZ LYS 121 -14.111 15.615 24.789 899 3HZ LYS 121 3HZ LYS 121 -13.681 16.085 23.289 900 H ASN 122 H ASN 122 -13.513 9.412 28.729 901 HA ASN 122 HA ASN 122 -16.183 8.666 29.594 902 1HB ASN 122 1HB ASN 122 -13.512 7.242 29.522 903 2HB ASN 122 2HB ASN 122 -14.863 6.576 30.430 904 1HD2 ASN 122 1HD2 ASN 122 -13.816 7.489 27.129 905 2HD2 ASN 122 2HD2 ASN 122 -15.066 6.515 26.360 906 H LEU 123 H LEU 123 -13.374 9.980 31.363 907 HA LEU 123 HA LEU 123 -14.282 9.266 34.006 908 1HB LEU 123 1HB LEU 123 -12.876 11.851 33.236 909 2HB LEU 123 2HB LEU 123 -12.949 11.118 34.826 910 HG LEU 123 HG LEU 123 -11.476 9.983 32.425 911 1HD1 LEU 123 1HD1 LEU 123 -9.445 10.674 33.606 912 2HD1 LEU 123 2HD1 LEU 123 -10.488 12.072 33.305 913 3HD1 LEU 123 3HD1 LEU 123 -10.422 11.351 34.928 914 1HD2 LEU 123 1HD2 LEU 123 -12.110 8.172 33.917 915 2HD2 LEU 123 2HD2 LEU 123 -10.374 8.505 34.029 916 3HD2 LEU 123 3HD2 LEU 123 -11.464 9.070 35.318 917 H ARG 124 H ARG 124 -14.832 12.198 32.020 918 HA ARG 124 HA ARG 124 -16.721 13.505 33.732 919 1HB ARG 124 1HB ARG 124 -16.127 13.670 30.757 920 2HB ARG 124 2HB ARG 124 -17.487 14.529 31.458 921 1HG ARG 124 1HG ARG 124 -15.703 16.046 31.291 922 2HG ARG 124 2HG ARG 124 -15.996 15.756 32.997 923 1HD ARG 124 1HD ARG 124 -13.803 14.263 31.510 924 2HD ARG 124 2HD ARG 124 -13.573 15.931 32.045 925 HE ARG 124 HE ARG 124 -14.519 14.229 34.219 926 1HH1 ARG 124 1HH1 ARG 124 -11.575 15.258 32.600 927 2HH1 ARG 124 2HH1 ARG 124 -10.614 14.971 34.027 928 1HH2 ARG 124 1HH2 ARG 124 -13.309 13.893 35.907 929 2HH2 ARG 124 2HH2 ARG 124 -11.574 14.182 35.884 930 H LEU 125 H LEU 125 -17.244 10.999 31.279 931 HA LEU 125 HA LEU 125 -20.100 11.114 31.255 932 1HB LEU 125 1HB LEU 125 -18.669 9.980 29.552 933 2HB LEU 125 2HB LEU 125 -18.237 8.760 30.748 934 HG LEU 125 HG LEU 125 -20.624 8.044 30.881 935 1HD1 LEU 125 1HD1 LEU 125 -20.980 9.958 28.529 936 2HD1 LEU 125 2HD1 LEU 125 -22.164 8.745 29.065 937 3HD1 LEU 125 3HD1 LEU 125 -21.758 10.100 30.120 938 1HD2 LEU 125 1HD2 LEU 125 -19.394 8.023 28.096 939 2HD2 LEU 125 2HD2 LEU 125 -19.008 6.900 29.418 940 3HD2 LEU 125 3HD2 LEU 125 -20.629 6.899 28.709 941 H ARG 126 H ARG 126 -17.844 9.242 33.324 942 HA ARG 126 HA ARG 126 -19.998 7.916 34.836 943 1HB ARG 126 1HB ARG 126 -16.968 7.973 34.944 944 2HB ARG 126 2HB ARG 126 -17.875 7.390 36.333 945 1HG ARG 126 1HG ARG 126 -17.210 5.537 34.928 946 2HG ARG 126 2HG ARG 126 -18.966 5.663 35.027 947 1HD ARG 126 1HD ARG 126 -19.061 6.629 32.761 948 2HD ARG 126 2HD ARG 126 -17.298 6.684 32.704 949 HE ARG 126 HE ARG 126 -17.173 4.442 32.232 950 1HH1 ARG 126 1HH1 ARG 126 -20.530 5.040 33.097 951 2HH1 ARG 126 2HH1 ARG 126 -21.017 3.464 32.540 952 1HH2 ARG 126 1HH2 ARG 126 -17.822 2.547 31.601 953 2HH2 ARG 126 2HH2 ARG 126 -19.503 2.054 31.698 954 H GLU 127 H GLU 127 -18.165 10.859 35.238 955 HA GLU 127 HA GLU 127 -18.834 11.322 38.033 956 1HB GLU 127 1HB GLU 127 -17.668 13.029 35.817 957 2HB GLU 127 2HB GLU 127 -17.915 13.643 37.458 958 1HG GLU 127 1HG GLU 127 -16.431 12.080 38.439 959 2HG GLU 127 2HG GLU 127 -16.264 11.145 36.965 960 H GLN 128 H GLN 128 -21.215 10.677 37.053 961 HA GLN 128 HA GLN 128 -22.825 13.194 37.135 962 1HB GLN 128 1HB GLN 128 -23.253 10.867 35.209 963 2HB GLN 128 2HB GLN 128 -24.357 12.226 35.451 964 1HG GLN 128 1HG GLN 128 -22.539 13.790 34.693 965 2HG GLN 128 2HG GLN 128 -21.532 12.383 34.321 966 1HE2 GLN 128 1HE2 GLN 128 -22.380 10.821 32.667 967 2HE2 GLN 128 2HE2 GLN 128 -23.452 11.462 31.415 Start of MODEL 9 1 1H ALA 2 1H ALA 2 -7.530 0.140 -27.157 2 HA ALA 2 HA ALA 2 -6.615 1.463 -24.842 3 1HB ALA 2 1HB ALA 2 -6.751 2.473 -27.716 4 2HB ALA 2 2HB ALA 2 -5.698 3.106 -26.432 5 3HB ALA 2 3HB ALA 2 -5.467 1.451 -27.025 6 H ASP 3 H ASP 3 -9.662 1.917 -26.418 7 HA ASP 3 HA ASP 3 -10.204 4.629 -25.510 8 1HB ASP 3 1HB ASP 3 -12.398 4.223 -26.461 9 2HB ASP 3 2HB ASP 3 -11.153 3.690 -27.580 10 H GLU 4 H GLU 4 -10.146 1.652 -23.843 11 HA GLU 4 HA GLU 4 -12.424 1.740 -22.175 12 1HB GLU 4 1HB GLU 4 -10.906 -0.182 -22.434 13 2HB GLU 4 2HB GLU 4 -9.621 0.702 -21.598 14 1HG GLU 4 1HG GLU 4 -11.030 0.760 -19.540 15 2HG GLU 4 2HG GLU 4 -12.306 -0.108 -20.400 16 H PHE 5 H PHE 5 -13.011 2.844 -20.403 17 HA PHE 5 HA PHE 5 -11.143 4.261 -18.666 18 1HB PHE 5 1HB PHE 5 -11.584 5.835 -20.615 19 2HB PHE 5 2HB PHE 5 -13.284 5.824 -20.175 20 HD1 PHE 5 HD1 PHE 5 -14.063 7.465 -18.621 21 HD2 PHE 5 HD2 PHE 5 -9.859 6.510 -18.773 22 HE1 PHE 5 HE1 PHE 5 -13.588 9.277 -16.990 23 HE2 PHE 5 HE2 PHE 5 -9.390 8.319 -17.135 24 HZ PHE 5 HZ PHE 5 -11.253 9.701 -16.240 25 H GLY 6 H GLY 6 -12.424 5.346 -16.820 26 1HA GLY 6 1HA GLY 6 -15.154 4.605 -16.304 27 2HA GLY 6 2HA GLY 6 -14.054 3.517 -15.458 28 H ASN 7 H ASN 7 -15.749 4.929 -13.961 29 HA ASN 7 HA ASN 7 -13.995 6.694 -12.407 30 1HB ASN 7 1HB ASN 7 -15.546 8.551 -12.325 31 2HB ASN 7 2HB ASN 7 -15.141 8.226 -14.000 32 1HD2 ASN 7 1HD2 ASN 7 -16.838 7.606 -15.432 33 2HD2 ASN 7 2HD2 ASN 7 -18.511 7.542 -14.897 34 H GLY 8 H GLY 8 -14.909 7.266 -10.282 35 1HA GLY 8 1HA GLY 8 -17.158 6.254 -9.027 36 2HA GLY 8 2HA GLY 8 -15.965 4.959 -8.902 37 H ASP 9 H ASP 9 -16.702 5.779 -6.569 38 HA ASP 9 HA ASP 9 -14.385 7.162 -5.439 39 1HB ASP 9 1HB ASP 9 -15.592 8.870 -4.284 40 2HB ASP 9 2HB ASP 9 -16.000 9.009 -5.982 41 H ALA 10 H ALA 10 -14.446 7.181 -3.018 42 HA ALA 10 HA ALA 10 -16.094 5.113 -1.731 43 1HB ALA 10 1HB ALA 10 -14.192 3.838 -2.678 44 2HB ALA 10 2HB ALA 10 -13.047 4.943 -1.880 45 3HB ALA 10 3HB ALA 10 -14.105 3.899 -0.907 46 H LEU 11 H LEU 11 -16.528 5.634 0.307 47 HA LEU 11 HA LEU 11 -14.783 7.239 2.006 48 1HB LEU 11 1HB LEU 11 -16.008 8.923 0.653 49 2HB LEU 11 2HB LEU 11 -17.548 8.292 1.212 50 HG LEU 11 HG LEU 11 -15.462 9.261 3.204 51 1HD1 LEU 11 1HD1 LEU 11 -17.460 11.014 1.724 52 2HD1 LEU 11 2HD1 LEU 11 -16.444 11.513 3.098 53 3HD1 LEU 11 3HD1 LEU 11 -15.691 11.068 1.560 54 1HD2 LEU 11 1HD2 LEU 11 -17.462 9.901 4.530 55 2HD2 LEU 11 2HD2 LEU 11 -18.518 9.317 3.231 56 3HD2 LEU 11 3HD2 LEU 11 -17.516 8.181 4.143 57 H ASP 12 H ASP 12 -14.870 6.282 3.920 58 HA ASP 12 HA ASP 12 -17.356 4.933 4.896 59 1HB ASP 12 1HB ASP 12 -14.539 3.776 4.789 60 2HB ASP 12 2HB ASP 12 -15.873 3.059 5.689 61 H LEU 13 H LEU 13 -16.082 7.540 5.542 62 HA LEU 13 HA LEU 13 -14.650 7.551 7.927 63 1HB LEU 13 1HB LEU 13 -16.670 9.573 6.921 64 2HB LEU 13 2HB LEU 13 -15.553 9.855 8.252 65 HG LEU 13 HG LEU 13 -14.729 9.267 5.380 66 1HD1 LEU 13 1HD1 LEU 13 -14.064 11.620 5.308 67 2HD1 LEU 13 2HD1 LEU 13 -15.791 11.480 5.671 68 3HD1 LEU 13 3HD1 LEU 13 -14.639 11.858 6.974 69 1HD2 LEU 13 1HD2 LEU 13 -13.068 10.013 7.815 70 2HD2 LEU 13 2HD2 LEU 13 -12.975 8.500 6.890 71 3HD2 LEU 13 3HD2 LEU 13 -12.467 10.018 6.153 72 HA PRO 14 HA PRO 14 -17.844 6.093 10.794 73 1HB PRO 14 1HB PRO 14 -16.279 5.892 13.032 74 2HB PRO 14 2HB PRO 14 -16.145 4.772 11.642 75 1HG PRO 14 1HG PRO 14 -14.401 7.115 12.343 76 2HG PRO 14 2HG PRO 14 -13.928 5.501 11.725 77 1HD PRO 14 1HD PRO 14 -14.244 7.813 10.190 78 2HD PRO 14 2HD PRO 14 -14.299 6.147 9.549 79 H VAL 15 H VAL 15 -18.514 6.806 13.153 80 HA VAL 15 HA VAL 15 -18.244 9.728 13.561 81 HB VAL 15 HB VAL 15 -20.190 9.188 12.061 82 1HG1 VAL 15 1HG1 VAL 15 -22.263 8.350 12.978 83 2HG1 VAL 15 2HG1 VAL 15 -20.993 7.135 13.173 84 3HG1 VAL 15 3HG1 VAL 15 -21.522 8.102 14.569 85 1HG2 VAL 15 1HG2 VAL 15 -21.028 10.630 14.588 86 2HG2 VAL 15 2HG2 VAL 15 -20.029 11.321 13.289 87 3HG2 VAL 15 3HG2 VAL 15 -21.688 10.798 12.956 88 H GLY 16 H GLY 16 -17.293 7.332 14.959 89 1HA GLY 16 1HA GLY 16 -17.229 8.233 17.585 90 2HA GLY 16 2HA GLY 16 -18.601 7.122 17.543 91 H LYS 17 H LYS 17 -16.515 6.538 19.201 92 HA LYS 17 HA LYS 17 -14.378 5.019 18.157 93 1HB LYS 17 1HB LYS 17 -14.361 5.821 20.420 94 2HB LYS 17 2HB LYS 17 -15.756 4.819 20.861 95 1HG LYS 17 1HG LYS 17 -14.521 2.807 20.726 96 2HG LYS 17 2HG LYS 17 -13.255 3.529 19.727 97 1HD LYS 17 1HD LYS 17 -12.464 3.024 21.960 98 2HD LYS 17 2HD LYS 17 -12.350 4.747 21.576 99 1HE LYS 17 1HE LYS 17 -14.207 5.290 22.988 100 2HE LYS 17 2HE LYS 17 -14.646 3.588 23.204 101 1HZ LYS 17 1HZ LYS 17 -12.729 3.228 24.514 102 2HZ LYS 17 2HZ LYS 17 -11.984 4.589 24.046 103 3HZ LYS 17 3HZ LYS 17 -13.285 4.663 25.064 104 H ASP 18 H ASP 18 -17.653 3.841 18.935 105 HA ASP 18 HA ASP 18 -17.137 1.054 18.583 106 1HB ASP 18 1HB ASP 18 -19.656 2.680 18.029 107 2HB ASP 18 2HB ASP 18 -19.582 0.920 18.050 108 H ALA 19 H ALA 19 -18.045 3.557 16.180 109 HA ALA 19 HA ALA 19 -18.046 1.739 13.926 110 1HB ALA 19 1HB ALA 19 -19.380 3.767 13.894 111 2HB ALA 19 2HB ALA 19 -17.933 4.773 14.107 112 3HB ALA 19 3HB ALA 19 -18.159 3.836 12.606 113 H VAL 20 H VAL 20 -15.550 3.937 15.346 114 HA VAL 20 HA VAL 20 -13.578 3.510 13.279 115 HB VAL 20 HB VAL 20 -13.248 4.245 16.215 116 1HG1 VAL 20 1HG1 VAL 20 -11.188 4.068 13.980 117 2HG1 VAL 20 2HG1 VAL 20 -10.935 5.039 15.440 118 3HG1 VAL 20 3HG1 VAL 20 -11.133 3.291 15.577 119 1HG2 VAL 20 1HG2 VAL 20 -12.865 5.951 13.727 120 2HG2 VAL 20 2HG2 VAL 20 -14.376 5.929 14.671 121 3HG2 VAL 20 3HG2 VAL 20 -12.875 6.494 15.404 122 H ASN 21 H ASN 21 -14.153 1.760 16.386 123 HA ASN 21 HA ASN 21 -12.028 -0.137 16.027 124 1HB ASN 21 1HB ASN 21 -14.633 -0.223 17.607 125 2HB ASN 21 2HB ASN 21 -13.427 -1.505 17.663 126 1HD2 ASN 21 1HD2 ASN 21 -14.150 -0.281 19.992 127 2HD2 ASN 21 2HD2 ASN 21 -12.801 0.690 20.559 128 H SER 22 H SER 22 -15.456 -0.203 14.967 129 HA SER 22 HA SER 22 -15.391 -2.862 13.850 130 1HB SER 22 1HB SER 22 -17.124 -0.478 13.067 131 2HB SER 22 2HB SER 22 -17.388 -2.165 12.593 132 HG SER 22 HG SER 22 -17.507 -1.019 15.196 133 H LEU 23 H LEU 23 -14.778 0.363 12.394 134 HA LEU 23 HA LEU 23 -14.291 -0.490 9.723 135 1HB LEU 23 1HB LEU 23 -14.768 1.837 10.503 136 2HB LEU 23 2HB LEU 23 -13.208 1.876 11.317 137 HG LEU 23 HG LEU 23 -12.075 1.662 9.082 138 1HD1 LEU 23 1HD1 LEU 23 -13.923 0.625 7.783 139 2HD1 LEU 23 2HD1 LEU 23 -14.911 2.082 8.027 140 3HD1 LEU 23 3HD1 LEU 23 -13.426 2.159 7.057 141 1HD2 LEU 23 1HD2 LEU 23 -12.420 3.842 10.171 142 2HD2 LEU 23 2HD2 LEU 23 -12.586 3.999 8.415 143 3HD2 LEU 23 3HD2 LEU 23 -14.039 3.957 9.443 144 H ILE 24 H ILE 24 -12.084 -0.109 12.505 145 HA ILE 24 HA ILE 24 -9.657 -0.851 11.151 146 HB ILE 24 HB ILE 24 -10.528 -0.899 14.059 147 1HG1 ILE 24 1HG1 ILE 24 -8.395 0.805 12.694 148 2HG1 ILE 24 2HG1 ILE 24 -10.078 1.305 12.788 149 1HG2 ILE 24 1HG2 ILE 24 -8.901 -2.684 13.922 150 2HG2 ILE 24 2HG2 ILE 24 -7.847 -1.705 12.883 151 3HG2 ILE 24 3HG2 ILE 24 -8.076 -1.295 14.601 152 1HD1 ILE 24 1HD1 ILE 24 -8.198 0.859 15.136 153 2HD1 ILE 24 2HD1 ILE 24 -8.957 2.364 14.610 154 3HD1 ILE 24 3HD1 ILE 24 -9.953 1.082 15.313 155 H ARG 25 H ARG 25 -12.010 -2.834 13.062 156 HA ARG 25 HA ARG 25 -10.673 -5.328 12.742 157 1HB ARG 25 1HB ARG 25 -12.447 -4.887 14.393 158 2HB ARG 25 2HB ARG 25 -13.632 -4.744 13.097 159 1HG ARG 25 1HG ARG 25 -13.854 -6.874 14.119 160 2HG ARG 25 2HG ARG 25 -13.263 -7.124 12.484 161 1HD ARG 25 1HD ARG 25 -11.389 -7.074 14.880 162 2HD ARG 25 2HD ARG 25 -12.303 -8.521 14.435 163 HE ARG 25 HE ARG 25 -10.888 -7.564 12.124 164 1HH1 ARG 25 1HH1 ARG 25 -10.361 -9.339 15.106 165 2HH1 ARG 25 2HH1 ARG 25 -8.984 -10.192 14.467 166 1HH2 ARG 25 1HH2 ARG 25 -8.992 -8.611 11.422 167 2HH2 ARG 25 2HH2 ARG 25 -8.279 -9.817 12.445 168 H GLU 26 H GLU 26 -13.226 -3.896 10.696 169 HA GLU 26 HA GLU 26 -13.386 -6.115 8.854 170 1HB GLU 26 1HB GLU 26 -14.240 -3.198 8.702 171 2HB GLU 26 2HB GLU 26 -14.572 -4.350 7.414 172 1HG GLU 26 1HG GLU 26 -15.516 -4.742 10.286 173 2HG GLU 26 2HG GLU 26 -16.468 -3.976 9.023 174 H ASN 27 H ASN 27 -11.028 -3.620 9.111 175 HA ASN 27 HA ASN 27 -9.871 -4.352 6.449 176 1HB ASN 27 1HB ASN 27 -10.013 -1.606 7.728 177 2HB ASN 27 2HB ASN 27 -9.188 -1.975 6.220 178 1HD2 ASN 27 1HD2 ASN 27 -12.255 -1.351 7.709 179 2HD2 ASN 27 2HD2 ASN 27 -13.188 -1.358 6.204 180 H SER 28 H SER 28 -9.327 -5.436 9.101 181 HA SER 28 HA SER 28 -7.132 -4.408 10.426 182 1HB SER 28 1HB SER 28 -6.812 -6.643 11.368 183 2HB SER 28 2HB SER 28 -8.501 -6.129 11.343 184 HG SER 28 HG SER 28 -8.646 -7.389 9.297 185 H HIS 29 H HIS 29 -6.918 -5.689 7.277 186 HA HIS 29 HA HIS 29 -4.086 -6.459 7.365 187 1HB HIS 29 1HB HIS 29 -4.419 -6.862 4.981 188 2HB HIS 29 2HB HIS 29 -5.680 -7.638 5.926 189 HD2 HIS 29 HD2 HIS 29 -5.398 -5.948 2.791 190 HE1 HIS 29 HE1 HIS 29 -9.234 -4.640 4.120 191 HE2 HIS 29 HE2 HIS 29 -7.681 -4.820 2.112 192 H ILE 30 H ILE 30 -5.803 -3.493 7.031 193 HA ILE 30 HA ILE 30 -3.335 -2.075 6.122 194 HB ILE 30 HB ILE 30 -4.749 -0.560 4.764 195 1HG1 ILE 30 1HG1 ILE 30 -6.918 -2.674 5.123 196 2HG1 ILE 30 2HG1 ILE 30 -6.946 -1.044 5.789 197 1HG2 ILE 30 1HG2 ILE 30 -4.805 -3.427 3.787 198 2HG2 ILE 30 2HG2 ILE 30 -4.752 -1.950 2.805 199 3HG2 ILE 30 3HG2 ILE 30 -3.367 -2.388 3.804 200 1HD1 ILE 30 1HD1 ILE 30 -7.076 -1.803 2.849 201 2HD1 ILE 30 2HD1 ILE 30 -8.360 -1.112 3.851 202 3HD1 ILE 30 3HD1 ILE 30 -6.939 -0.133 3.452 203 H PHE 31 H PHE 31 -6.118 -2.039 8.223 204 HA PHE 31 HA PHE 31 -5.244 0.586 9.396 205 1HB PHE 31 1HB PHE 31 -7.980 -0.728 9.488 206 2HB PHE 31 2HB PHE 31 -7.553 0.808 10.207 207 HD1 PHE 31 HD1 PHE 31 -5.987 1.547 7.328 208 HD2 PHE 31 HD2 PHE 31 -9.947 0.484 8.652 209 HE1 PHE 31 HE1 PHE 31 -6.957 2.566 5.288 210 HE2 PHE 31 HE2 PHE 31 -10.906 1.488 6.593 211 HZ PHE 31 HZ PHE 31 -9.404 2.507 4.898 212 H SER 32 H SER 32 -5.079 0.631 11.669 213 HA SER 32 HA SER 32 -5.722 -1.759 13.264 214 1HB SER 32 1HB SER 32 -3.547 -2.201 14.075 215 2HB SER 32 2HB SER 32 -3.444 -2.210 12.312 216 HG SER 32 HG SER 32 -2.711 -0.009 12.468 217 H ASP 33 H ASP 33 -5.164 -1.439 15.577 218 HA ASP 33 HA ASP 33 -6.384 0.887 16.648 219 1HB ASP 33 1HB ASP 33 -6.262 -1.423 17.621 220 2HB ASP 33 2HB ASP 33 -4.552 -1.161 17.968 221 H THR 34 H THR 34 -3.041 0.398 15.728 222 HA THR 34 HA THR 34 -2.246 2.961 17.048 223 HB THR 34 HB THR 34 -0.014 1.976 17.484 224 HG1 THR 34 HG1 THR 34 0.168 -0.274 17.390 225 1HG2 THR 34 1HG2 THR 34 -1.756 2.025 19.266 226 2HG2 THR 34 2HG2 THR 34 -2.240 0.377 18.811 227 3HG2 THR 34 3HG2 THR 34 -0.607 0.687 19.438 228 H GLN 35 H GLN 35 -2.610 1.634 14.014 229 HA GLN 35 HA GLN 35 -0.904 3.683 12.828 230 1HB GLN 35 1HB GLN 35 0.679 1.739 13.335 231 2HB GLN 35 2HB GLN 35 -0.300 0.735 12.273 232 1HG GLN 35 1HG GLN 35 0.278 2.319 10.371 233 2HG GLN 35 2HG GLN 35 1.324 3.195 11.493 234 1HE2 GLN 35 1HE2 GLN 35 3.476 2.434 11.627 235 2HE2 GLN 35 2HE2 GLN 35 3.970 0.872 10.994 236 H CYS 36 H CYS 36 -1.415 4.131 10.694 237 HA CYS 36 HA CYS 36 -3.520 2.453 9.332 238 1HB CYS 36 1HB CYS 36 -4.408 4.684 9.981 239 2HB CYS 36 2HB CYS 36 -3.079 5.451 9.095 240 H LYS 37 H LYS 37 -2.523 1.328 7.726 241 HA LYS 37 HA LYS 37 0.111 2.115 6.712 242 1HB LYS 37 1HB LYS 37 -1.725 -0.156 5.845 243 2HB LYS 37 2HB LYS 37 -0.023 0.057 5.415 244 1HG LYS 37 1HG LYS 37 0.551 -0.002 7.879 245 2HG LYS 37 2HG LYS 37 -1.139 -0.435 8.214 246 1HD LYS 37 1HD LYS 37 -0.887 -2.402 6.681 247 2HD LYS 37 2HD LYS 37 0.828 -2.009 6.503 248 1HE LYS 37 1HE LYS 37 -0.576 -2.657 9.144 249 2HE LYS 37 2HE LYS 37 0.323 -3.825 8.176 250 1HZ LYS 37 1HZ LYS 37 2.318 -2.429 8.489 251 2HZ LYS 37 2HZ LYS 37 1.487 -1.407 9.468 252 3HZ LYS 37 3HZ LYS 37 1.726 -2.954 9.914 253 H VAL 38 H VAL 38 -3.188 2.328 5.394 254 HA VAL 38 HA VAL 38 -2.448 2.923 2.685 255 HB VAL 38 HB VAL 38 -4.890 4.017 4.144 256 1HG1 VAL 38 1HG1 VAL 38 -4.482 5.050 1.919 257 2HG1 VAL 38 2HG1 VAL 38 -4.333 3.439 1.204 258 3HG1 VAL 38 3HG1 VAL 38 -5.891 3.989 1.867 259 1HG2 VAL 38 1HG2 VAL 38 -4.903 1.610 4.410 260 2HG2 VAL 38 2HG2 VAL 38 -6.052 2.026 3.135 261 3HG2 VAL 38 3HG2 VAL 38 -4.464 1.361 2.701 262 H CYS 39 H CYS 39 -2.772 5.013 5.549 263 HA CYS 39 HA CYS 39 -1.878 7.412 4.067 264 1HB CYS 39 1HB CYS 39 -2.790 6.952 6.927 265 2HB CYS 39 2HB CYS 39 -2.463 8.511 6.180 266 H SER 40 H SER 40 -0.371 4.818 5.480 267 HA SER 40 HA SER 40 1.481 4.350 6.680 268 1HB SER 40 1HB SER 40 2.518 6.332 4.613 269 2HB SER 40 2HB SER 40 3.580 5.327 5.616 270 HG SER 40 HG SER 40 1.486 4.185 4.074 271 H ALA 41 H ALA 41 0.197 5.615 8.370 272 HA ALA 41 HA ALA 41 2.068 7.501 9.751 273 1HB ALA 41 1HB ALA 41 0.333 8.826 8.597 274 2HB ALA 41 2HB ALA 41 -0.940 7.876 9.398 275 3HB ALA 41 3HB ALA 41 0.135 8.915 10.357 276 H VAL 42 H VAL 42 2.150 7.395 11.927 277 HA VAL 42 HA VAL 42 1.007 5.002 13.236 278 HB VAL 42 HB VAL 42 3.023 7.076 14.223 279 1HG1 VAL 42 1HG1 VAL 42 1.960 5.978 16.155 280 2HG1 VAL 42 2HG1 VAL 42 2.244 4.379 15.427 281 3HG1 VAL 42 3HG1 VAL 42 3.604 5.389 15.955 282 1HG2 VAL 42 1HG2 VAL 42 4.696 5.282 13.866 283 2HG2 VAL 42 2HG2 VAL 42 3.433 4.234 13.185 284 3HG2 VAL 42 3HG2 VAL 42 3.919 5.727 12.347 285 H LEU 43 H LEU 43 -0.242 5.050 15.047 286 HA LEU 43 HA LEU 43 -1.727 7.558 15.718 287 1HB LEU 43 1HB LEU 43 -2.829 4.729 15.610 288 2HB LEU 43 2HB LEU 43 -3.728 6.204 15.901 289 HG LEU 43 HG LEU 43 -2.312 5.514 13.278 290 1HD1 LEU 43 1HD1 LEU 43 -4.197 3.998 13.755 291 2HD1 LEU 43 2HD1 LEU 43 -5.269 5.403 13.918 292 3HD1 LEU 43 3HD1 LEU 43 -4.493 5.056 12.367 293 1HD2 LEU 43 1HD2 LEU 43 -3.651 7.345 12.339 294 2HD2 LEU 43 2HD2 LEU 43 -4.277 7.737 13.961 295 3HD2 LEU 43 3HD2 LEU 43 -2.556 7.946 13.581 296 H ILE 44 H ILE 44 0.032 7.774 17.214 297 HA ILE 44 HA ILE 44 0.887 6.052 19.187 298 HB ILE 44 HB ILE 44 1.732 8.029 20.367 299 1HG1 ILE 44 1HG1 ILE 44 0.154 9.689 18.343 300 2HG1 ILE 44 2HG1 ILE 44 -0.248 9.518 20.052 301 1HG2 ILE 44 1HG2 ILE 44 2.084 8.311 17.353 302 2HG2 ILE 44 2HG2 ILE 44 3.230 8.754 18.630 303 3HG2 ILE 44 3HG2 ILE 44 2.856 7.055 18.350 304 1HD1 ILE 44 1HD1 ILE 44 2.248 10.834 18.919 305 2HD1 ILE 44 2HD1 ILE 44 0.885 11.613 19.736 306 3HD1 ILE 44 3HD1 ILE 44 1.959 10.535 20.652 307 H SER 45 H SER 45 -2.238 7.469 19.292 308 HA SER 45 HA SER 45 -2.790 6.237 21.887 309 1HB SER 45 1HB SER 45 -1.924 8.542 22.460 310 2HB SER 45 2HB SER 45 -3.260 9.229 21.515 311 HG SER 45 HG SER 45 -3.725 9.042 23.780 312 H GLU 46 H GLU 46 -5.139 6.271 22.346 313 HA GLU 46 HA GLU 46 -6.758 5.631 20.068 314 1HB GLU 46 1HB GLU 46 -7.144 4.758 22.305 315 2HB GLU 46 2HB GLU 46 -7.600 6.364 22.898 316 1HG GLU 46 1HG GLU 46 -9.607 6.391 21.647 317 2HG GLU 46 2HG GLU 46 -9.024 5.186 20.499 318 H SER 47 H SER 47 -6.426 8.763 21.850 319 HA SER 47 HA SER 47 -8.564 10.097 20.498 320 1HB SER 47 1HB SER 47 -7.363 12.178 21.099 321 2HB SER 47 2HB SER 47 -7.594 11.065 22.459 322 HG SER 47 HG SER 47 -5.449 11.906 22.388 323 H GLN 48 H GLN 48 -5.093 9.731 19.563 324 HA GLN 48 HA GLN 48 -5.249 11.273 17.179 325 1HB GLN 48 1HB GLN 48 -3.198 10.567 18.524 326 2HB GLN 48 2HB GLN 48 -3.414 8.937 17.900 327 1HG GLN 48 1HG GLN 48 -1.733 10.113 16.644 328 2HG GLN 48 2HG GLN 48 -3.116 9.716 15.615 329 1HE2 GLN 48 1HE2 GLN 48 -2.405 12.484 17.882 330 2HE2 GLN 48 2HE2 GLN 48 -2.712 13.712 16.663 331 H LYS 49 H LYS 49 -5.753 7.783 17.875 332 HA LYS 49 HA LYS 49 -6.169 6.971 15.144 333 1HB LYS 49 1HB LYS 49 -6.088 4.962 16.119 334 2HB LYS 49 2HB LYS 49 -6.032 5.727 17.692 335 1HG LYS 49 1HG LYS 49 -8.539 5.660 17.770 336 2HG LYS 49 2HG LYS 49 -8.523 4.776 16.235 337 1HD LYS 49 1HD LYS 49 -7.313 2.918 17.333 338 2HD LYS 49 2HD LYS 49 -7.236 3.847 18.851 339 1HE LYS 49 1HE LYS 49 -9.771 4.077 18.687 340 2HE LYS 49 2HE LYS 49 -9.704 2.870 17.374 341 1HZ LYS 49 1HZ LYS 49 -9.255 2.490 20.257 342 2HZ LYS 49 2HZ LYS 49 -10.123 1.583 19.198 343 3HZ LYS 49 3HZ LYS 49 -8.478 1.490 19.204 344 H LEU 50 H LEU 50 -8.495 7.970 17.644 345 HA LEU 50 HA LEU 50 -10.848 7.700 16.036 346 1HB LEU 50 1HB LEU 50 -10.243 9.489 18.439 347 2HB LEU 50 2HB LEU 50 -11.836 9.325 17.708 348 HG LEU 50 HG LEU 50 -10.289 7.111 19.116 349 1HD1 LEU 50 1HD1 LEU 50 -11.334 8.812 20.588 350 2HD1 LEU 50 2HD1 LEU 50 -12.902 8.499 19.803 351 3HD1 LEU 50 3HD1 LEU 50 -12.101 7.222 20.738 352 1HD2 LEU 50 1HD2 LEU 50 -11.539 6.069 17.342 353 2HD2 LEU 50 2HD2 LEU 50 -12.307 5.754 18.887 354 3HD2 LEU 50 3HD2 LEU 50 -13.009 6.978 17.795 355 H ALA 51 H ALA 51 -8.662 10.518 16.477 356 HA ALA 51 HA ALA 51 -10.246 12.242 14.778 357 1HB ALA 51 1HB ALA 51 -7.303 12.374 15.604 358 2HB ALA 51 2HB ALA 51 -8.245 13.700 14.887 359 3HB ALA 51 3HB ALA 51 -8.668 13.082 16.496 360 H HIS 52 H HIS 52 -7.344 10.195 14.111 361 HA HIS 52 HA HIS 52 -6.973 11.052 11.432 362 1HB HIS 52 1HB HIS 52 -5.307 9.803 12.744 363 2HB HIS 52 2HB HIS 52 -6.338 8.367 12.722 364 HD1 HIS 52 HD1 HIS 52 -3.849 10.244 10.567 365 HD2 HIS 52 HD2 HIS 52 -6.720 7.184 10.210 366 HE1 HIS 52 HE1 HIS 52 -3.474 9.159 8.285 367 H TYR 53 H TYR 53 -8.796 8.128 12.609 368 HA TYR 53 HA TYR 53 -9.549 7.371 9.943 369 1HB TYR 53 1HB TYR 53 -10.643 6.565 12.649 370 2HB TYR 53 2HB TYR 53 -11.207 5.878 11.130 371 HD1 TYR 53 HD1 TYR 53 -9.166 5.152 9.466 372 HD2 TYR 53 HD2 TYR 53 -9.026 5.220 13.768 373 HE1 TYR 53 HE1 TYR 53 -7.256 3.547 9.433 374 HE2 TYR 53 HE2 TYR 53 -7.120 3.625 13.733 375 HH TYR 53 HH TYR 53 -5.727 2.398 12.466 376 H GLN 54 H GLN 54 -10.970 9.781 12.030 377 HA GLN 54 HA GLN 54 -13.452 9.914 10.394 378 1HB GLN 54 1HB GLN 54 -12.527 11.406 12.879 379 2HB GLN 54 2HB GLN 54 -14.045 11.727 12.033 380 1HG GLN 54 1HG GLN 54 -14.787 9.412 12.394 381 2HG GLN 54 2HG GLN 54 -13.291 9.038 13.254 382 1HE2 GLN 54 1HE2 GLN 54 -12.849 10.314 15.256 383 2HE2 GLN 54 2HE2 GLN 54 -14.241 10.821 16.230 384 H SER 55 H SER 55 -10.309 11.334 10.327 385 HA SER 55 HA SER 55 -10.964 13.957 9.363 386 1HB SER 55 1HB SER 55 -8.795 13.402 10.344 387 2HB SER 55 2HB SER 55 -8.447 12.285 9.007 388 HG SER 55 HG SER 55 -7.573 14.503 8.845 389 H ARG 56 H ARG 56 -11.024 14.831 7.332 390 HA ARG 56 HA ARG 56 -11.964 13.285 5.093 391 1HB ARG 56 1HB ARG 56 -10.783 16.095 5.174 392 2HB ARG 56 2HB ARG 56 -11.659 15.404 3.809 393 1HG ARG 56 1HG ARG 56 -12.845 15.857 6.582 394 2HG ARG 56 2HG ARG 56 -13.033 16.939 5.199 395 1HD ARG 56 1HD ARG 56 -14.186 15.166 3.937 396 2HD ARG 56 2HD ARG 56 -14.002 14.054 5.312 397 HE ARG 56 HE ARG 56 -15.262 16.317 6.354 398 1HH1 ARG 56 1HH1 ARG 56 -16.113 13.962 3.908 399 2HH1 ARG 56 2HH1 ARG 56 -17.821 14.111 4.228 400 1HH2 ARG 56 1HH2 ARG 56 -17.448 16.465 6.707 401 2HH2 ARG 56 2HH2 ARG 56 -18.548 15.495 5.775 402 H LYS 57 H LYS 57 -8.731 14.123 6.113 403 HA LYS 57 HA LYS 57 -7.295 13.642 3.663 404 1HB LYS 57 1HB LYS 57 -6.390 13.166 6.540 405 2HB LYS 57 2HB LYS 57 -5.338 13.315 5.142 406 1HG LYS 57 1HG LYS 57 -7.090 15.504 6.344 407 2HG LYS 57 2HG LYS 57 -5.347 15.361 6.489 408 1HD LYS 57 1HD LYS 57 -6.871 15.910 3.901 409 2HD LYS 57 2HD LYS 57 -6.015 17.095 4.890 410 1HE LYS 57 1HE LYS 57 -3.882 15.828 4.536 411 2HE LYS 57 2HE LYS 57 -4.741 14.724 3.455 412 1HZ LYS 57 1HZ LYS 57 -5.246 16.646 2.023 413 2HZ LYS 57 2HZ LYS 57 -4.442 17.652 3.026 414 3HZ LYS 57 3HZ LYS 57 -3.631 16.496 2.214 415 H HIS 58 H HIS 58 -8.432 11.431 6.202 416 HA HIS 58 HA HIS 58 -7.163 9.050 5.166 417 1HB HIS 58 1HB HIS 58 -7.979 9.305 7.483 418 2HB HIS 58 2HB HIS 58 -9.647 9.339 6.903 419 HD2 HIS 58 HD2 HIS 58 -10.809 7.030 6.424 420 HE1 HIS 58 HE1 HIS 58 -7.461 4.474 7.057 421 HE2 HIS 58 HE2 HIS 58 -9.968 4.537 6.659 422 H ALA 59 H ALA 59 -10.448 10.476 4.649 423 HA ALA 59 HA ALA 59 -11.399 8.411 2.920 424 1HB ALA 59 1HB ALA 59 -13.021 10.120 2.139 425 2HB ALA 59 2HB ALA 59 -12.908 10.044 3.900 426 3HB ALA 59 3HB ALA 59 -12.122 11.374 3.016 427 H ASN 60 H ASN 60 -9.542 11.403 2.145 428 HA ASN 60 HA ASN 60 -9.569 11.065 -0.696 429 1HB ASN 60 1HB ASN 60 -8.944 13.161 0.489 430 2HB ASN 60 2HB ASN 60 -7.481 12.387 1.097 431 1HD2 ASN 60 1HD2 ASN 60 -5.708 13.084 -0.064 432 2HD2 ASN 60 2HD2 ASN 60 -5.731 13.385 -1.794 433 H LYS 61 H LYS 61 -7.187 9.923 1.748 434 HA LYS 61 HA LYS 61 -5.462 8.533 -0.111 435 1HB LYS 61 1HB LYS 61 -5.953 8.447 2.882 436 2HB LYS 61 2HB LYS 61 -4.926 7.233 2.142 437 1HG LYS 61 1HG LYS 61 -4.436 10.220 1.833 438 2HG LYS 61 2HG LYS 61 -3.708 9.208 3.086 439 1HD LYS 61 1HD LYS 61 -2.819 7.702 1.222 440 2HD LYS 61 2HD LYS 61 -3.280 8.962 0.075 441 1HE LYS 61 1HE LYS 61 -1.405 9.329 2.454 442 2HE LYS 61 2HE LYS 61 -0.875 8.987 0.806 443 1HZ LYS 61 1HZ LYS 61 -1.903 11.082 0.098 444 2HZ LYS 61 2HZ LYS 61 -2.370 11.421 1.631 445 3HZ LYS 61 3HZ LYS 61 -0.786 11.358 1.251 446 H VAL 62 H VAL 62 -8.286 7.404 1.778 447 HA VAL 62 HA VAL 62 -8.172 4.679 0.873 448 HB VAL 62 HB VAL 62 -10.433 6.383 1.957 449 1HG1 VAL 62 1HG1 VAL 62 -11.546 4.731 0.533 450 2HG1 VAL 62 2HG1 VAL 62 -10.537 3.428 1.208 451 3HG1 VAL 62 3HG1 VAL 62 -11.730 4.270 2.223 452 1HG2 VAL 62 1HG2 VAL 62 -8.910 3.971 3.056 453 2HG2 VAL 62 2HG2 VAL 62 -8.598 5.652 3.514 454 3HG2 VAL 62 3HG2 VAL 62 -10.153 4.914 3.911 455 H ARG 63 H ARG 63 -9.874 7.550 -0.578 456 HA ARG 63 HA ARG 63 -11.076 6.093 -2.719 457 1HB ARG 63 1HB ARG 63 -11.634 8.432 -2.110 458 2HB ARG 63 2HB ARG 63 -10.094 8.972 -2.807 459 1HG ARG 63 1HG ARG 63 -10.764 8.086 -5.021 460 2HG ARG 63 2HG ARG 63 -12.247 7.415 -4.321 461 1HD ARG 63 1HD ARG 63 -12.999 9.707 -3.763 462 2HD ARG 63 2HD ARG 63 -11.515 10.358 -4.484 463 HE ARG 63 HE ARG 63 -13.333 8.645 -6.137 464 1HH1 ARG 63 1HH1 ARG 63 -11.928 11.858 -5.790 465 2HH1 ARG 63 2HH1 ARG 63 -12.492 12.310 -7.381 466 1HH2 ARG 63 1HH2 ARG 63 -14.009 9.310 -8.033 467 2HH2 ARG 63 2HH2 ARG 63 -13.499 10.861 -8.679 468 H ARG 64 H ARG 64 -7.816 7.555 -2.549 469 HA ARG 64 HA ARG 64 -6.956 6.822 -5.211 470 1HB ARG 64 1HB ARG 64 -5.758 8.496 -4.060 471 2HB ARG 64 2HB ARG 64 -5.519 7.501 -2.638 472 1HG ARG 64 1HG ARG 64 -3.463 7.837 -3.949 473 2HG ARG 64 2HG ARG 64 -3.881 6.152 -3.685 474 1HD ARG 64 1HD ARG 64 -2.955 6.513 -5.904 475 2HD ARG 64 2HD ARG 64 -4.596 5.886 -5.987 476 HE ARG 64 HE ARG 64 -4.571 8.779 -6.165 477 1HH1 ARG 64 1HH1 ARG 64 -3.939 5.915 -8.082 478 2HH1 ARG 64 2HH1 ARG 64 -4.340 6.703 -9.591 479 1HH2 ARG 64 1HH2 ARG 64 -5.041 9.745 -8.157 480 2HH2 ARG 64 2HH2 ARG 64 -4.931 8.787 -9.622 481 H TYR 65 H TYR 65 -6.472 5.083 -2.090 482 HA TYR 65 HA TYR 65 -5.216 2.789 -3.280 483 1HB TYR 65 1HB TYR 65 -5.126 3.456 -0.903 484 2HB TYR 65 2HB TYR 65 -6.826 3.050 -0.706 485 HD1 TYR 65 HD1 TYR 65 -7.446 0.834 -0.112 486 HD2 TYR 65 HD2 TYR 65 -3.491 1.599 -1.652 487 HE1 TYR 65 HE1 TYR 65 -6.806 -1.523 0.374 488 HE2 TYR 65 HE2 TYR 65 -2.846 -0.760 -1.153 489 HH TYR 65 HH TYR 65 -5.151 -3.110 0.262 490 H MET 66 H MET 66 -8.699 3.436 -2.658 491 HA MET 66 HA MET 66 -9.613 0.832 -3.489 492 1HB MET 66 1HB MET 66 -10.974 3.549 -3.317 493 2HB MET 66 2HB MET 66 -11.823 2.080 -3.817 494 1HG MET 66 1HG MET 66 -10.302 2.319 -1.198 495 2HG MET 66 2HG MET 66 -12.020 2.651 -1.355 496 1HE MET 66 1HE MET 66 -9.600 0.230 -0.150 497 2HE MET 66 2HE MET 66 -11.010 0.748 0.808 498 3HE MET 66 3HE MET 66 -10.797 -0.969 0.388 499 H ALA 67 H ALA 67 -9.106 3.918 -5.277 500 HA ALA 67 HA ALA 67 -10.153 3.149 -7.768 501 1HB ALA 67 1HB ALA 67 -9.623 5.463 -7.155 502 2HB ALA 67 2HB ALA 67 -7.885 5.085 -7.188 503 3HB ALA 67 3HB ALA 67 -8.844 5.005 -8.677 504 H ILE 68 H ILE 68 -7.132 2.124 -6.335 505 HA ILE 68 HA ILE 68 -5.708 1.286 -8.672 506 HB ILE 68 HB ILE 68 -5.752 0.076 -5.877 507 1HG1 ILE 68 1HG1 ILE 68 -3.860 2.126 -7.138 508 2HG1 ILE 68 2HG1 ILE 68 -5.098 2.482 -5.943 509 1HG2 ILE 68 1HG2 ILE 68 -3.595 -0.908 -6.388 510 2HG2 ILE 68 2HG2 ILE 68 -4.788 -1.507 -7.525 511 3HG2 ILE 68 3HG2 ILE 68 -3.639 -0.248 -8.040 512 1HD1 ILE 68 1HD1 ILE 68 -2.568 0.886 -5.480 513 2HD1 ILE 68 2HD1 ILE 68 -3.043 2.435 -4.774 514 3HD1 ILE 68 3HD1 ILE 68 -3.918 0.958 -4.318 515 H ASN 69 H ASN 69 -8.331 -0.258 -6.801 516 HA ASN 69 HA ASN 69 -8.456 -2.565 -8.669 517 1HB ASN 69 1HB ASN 69 -8.674 -2.947 -6.235 518 2HB ASN 69 2HB ASN 69 -10.064 -1.865 -6.167 519 1HD2 ASN 69 1HD2 ASN 69 -8.919 -5.034 -7.295 520 2HD2 ASN 69 2HD2 ASN 69 -10.530 -5.662 -7.601 521 H GLN 70 H GLN 70 -10.756 -0.011 -7.466 522 HA GLN 70 HA GLN 70 -11.803 0.396 -10.176 523 1HB GLN 70 1HB GLN 70 -13.085 -1.564 -9.353 524 2HB GLN 70 2HB GLN 70 -13.528 -0.676 -7.896 525 1HG GLN 70 1HG GLN 70 -15.387 -0.698 -9.438 526 2HG GLN 70 2HG GLN 70 -14.801 0.951 -9.272 527 1HE2 GLN 70 1HE2 GLN 70 -15.423 -1.644 -11.537 528 2HE2 GLN 70 2HE2 GLN 70 -14.798 -0.798 -12.945 529 H GLY 71 H GLY 71 -12.333 2.494 -10.450 530 1HA GLY 71 1HA GLY 71 -13.648 4.285 -8.804 531 2HA GLY 71 2HA GLY 71 -11.964 4.421 -8.303 532 H GLU 72 H GLU 72 -11.783 6.547 -9.055 533 HA GLU 72 HA GLU 72 -11.792 6.986 -12.023 534 1HB GLU 72 1HB GLU 72 -13.487 8.286 -10.743 535 2HB GLU 72 2HB GLU 72 -12.194 8.943 -9.738 536 1HG GLU 72 1HG GLU 72 -11.216 10.071 -11.707 537 2HG GLU 72 2HG GLU 72 -12.437 9.329 -12.748 538 H ASP 73 H ASP 73 -9.889 7.491 -12.939 539 HA ASP 73 HA ASP 73 -7.774 8.863 -11.478 540 1HB ASP 73 1HB ASP 73 -7.542 6.320 -11.000 541 2HB ASP 73 2HB ASP 73 -7.104 6.155 -12.700 542 H SER 74 H SER 74 -6.037 9.565 -12.868 543 HA SER 74 HA SER 74 -6.943 10.419 -15.493 544 1HB SER 74 1HB SER 74 -4.231 10.727 -14.145 545 2HB SER 74 2HB SER 74 -4.804 11.622 -15.565 546 HG SER 74 HG SER 74 -5.084 12.812 -13.620 547 H VAL 75 H VAL 75 -5.464 7.511 -14.606 548 HA VAL 75 HA VAL 75 -4.382 7.068 -17.358 549 HB VAL 75 HB VAL 75 -2.976 6.253 -14.795 550 1HG1 VAL 75 1HG1 VAL 75 -2.610 4.575 -16.553 551 2HG1 VAL 75 2HG1 VAL 75 -2.232 5.856 -17.735 552 3HG1 VAL 75 3HG1 VAL 75 -1.158 5.544 -16.355 553 1HG2 VAL 75 1HG2 VAL 75 -2.646 8.643 -15.219 554 2HG2 VAL 75 2HG2 VAL 75 -1.172 7.759 -15.604 555 3HG2 VAL 75 3HG2 VAL 75 -2.234 8.312 -16.918 556 HA PRO 76 HA PRO 76 -7.220 3.560 -16.423 557 1HB PRO 76 1HB PRO 76 -8.000 2.991 -18.973 558 2HB PRO 76 2HB PRO 76 -8.673 4.358 -18.034 559 1HG PRO 76 1HG PRO 76 -6.443 4.434 -20.089 560 2HG PRO 76 2HG PRO 76 -7.879 5.498 -19.980 561 1HD PRO 76 1HD PRO 76 -5.446 6.217 -18.982 562 2HD PRO 76 2HD PRO 76 -6.965 6.699 -18.168 563 H ALA 77 H ALA 77 -4.293 3.816 -18.242 564 HA ALA 77 HA ALA 77 -3.913 1.063 -18.978 565 1HB ALA 77 1HB ALA 77 -1.890 3.310 -18.573 566 2HB ALA 77 2HB ALA 77 -1.629 1.799 -19.465 567 3HB ALA 77 3HB ALA 77 -2.795 2.987 -20.071 568 H LYS 78 H LYS 78 -4.044 2.343 -15.901 569 HA LYS 78 HA LYS 78 -1.977 1.427 -14.325 570 1HB LYS 78 1HB LYS 78 -3.594 1.438 -12.496 571 2HB LYS 78 2HB LYS 78 -3.789 2.846 -13.530 572 1HG LYS 78 1HG LYS 78 -5.851 2.160 -14.350 573 2HG LYS 78 2HG LYS 78 -5.469 0.446 -14.220 574 1HD LYS 78 1HD LYS 78 -5.658 0.584 -11.746 575 2HD LYS 78 2HD LYS 78 -6.204 2.272 -11.903 576 1HE LYS 78 1HE LYS 78 -8.143 1.581 -13.216 577 2HE LYS 78 2HE LYS 78 -7.520 -0.069 -13.358 578 1HZ LYS 78 1HZ LYS 78 -8.407 1.199 -10.822 579 2HZ LYS 78 2HZ LYS 78 -9.208 0.015 -11.646 580 3HZ LYS 78 3HZ LYS 78 -7.762 -0.295 -10.939 581 H LYS 79 H LYS 79 -3.891 -0.753 -16.042 582 HA LYS 79 HA LYS 79 -4.345 -2.963 -14.412 583 1HB LYS 79 1HB LYS 79 -3.633 -2.756 -17.359 584 2HB LYS 79 2HB LYS 79 -4.136 -4.269 -16.592 585 1HG LYS 79 1HG LYS 79 -6.265 -3.338 -15.919 586 2HG LYS 79 2HG LYS 79 -5.839 -1.730 -16.500 587 1HD LYS 79 1HD LYS 79 -5.947 -4.157 -18.330 588 2HD LYS 79 2HD LYS 79 -7.372 -3.183 -17.989 589 1HE LYS 79 1HE LYS 79 -4.805 -1.969 -19.104 590 2HE LYS 79 2HE LYS 79 -6.060 -2.663 -20.131 591 1HZ LYS 79 1HZ LYS 79 -7.663 -1.101 -19.175 592 2HZ LYS 79 2HZ LYS 79 -6.498 -0.377 -18.268 593 3HZ LYS 79 3HZ LYS 79 -6.436 -0.310 -19.898 594 H PHE 80 H PHE 80 -1.190 -1.987 -15.640 595 HA PHE 80 HA PHE 80 0.203 -4.446 -15.118 596 1HB PHE 80 1HB PHE 80 2.225 -3.088 -15.271 597 2HB PHE 80 2HB PHE 80 1.112 -2.740 -16.577 598 HD1 PHE 80 HD1 PHE 80 0.288 -0.520 -16.943 599 HD2 PHE 80 HD2 PHE 80 2.463 -1.430 -13.336 600 HE1 PHE 80 HE1 PHE 80 0.339 1.893 -16.366 601 HE2 PHE 80 HE2 PHE 80 2.522 0.985 -12.763 602 HZ PHE 80 HZ PHE 80 1.448 2.650 -14.270 603 H LYS 81 H LYS 81 -1.113 -2.180 -12.900 604 HA LYS 81 HA LYS 81 0.426 -3.338 -10.612 605 1HB LYS 81 1HB LYS 81 0.932 -0.893 -11.381 606 2HB LYS 81 2HB LYS 81 -0.629 -0.491 -10.666 607 1HG LYS 81 1HG LYS 81 0.207 -1.386 -8.467 608 2HG LYS 81 2HG LYS 81 1.736 -1.819 -9.252 609 1HD LYS 81 1HD LYS 81 2.138 0.586 -9.778 610 2HD LYS 81 2HD LYS 81 0.583 0.998 -9.049 611 1HE LYS 81 1HE LYS 81 2.253 1.513 -7.432 612 2HE LYS 81 2HE LYS 81 1.383 0.090 -6.857 613 1HZ LYS 81 1HZ LYS 81 3.246 -1.279 -7.648 614 2HZ LYS 81 2HZ LYS 81 4.033 0.040 -8.213 615 3HZ LYS 81 3HZ LYS 81 3.796 -0.148 -6.612 616 H ALA 82 H ALA 82 -2.085 -4.216 -11.811 617 HA ALA 82 HA ALA 82 -3.849 -4.118 -9.412 618 1HB ALA 82 1HB ALA 82 -4.778 -3.856 -12.303 619 2HB ALA 82 2HB ALA 82 -5.806 -3.854 -10.854 620 3HB ALA 82 3HB ALA 82 -4.682 -2.516 -11.136 621 H ALA 83 H ALA 83 -5.691 -5.870 -9.822 622 HA ALA 83 HA ALA 83 -4.614 -8.354 -11.016 623 1HB ALA 83 1HB ALA 83 -4.963 -9.564 -8.867 624 2HB ALA 83 2HB ALA 83 -3.773 -8.268 -8.686 625 3HB ALA 83 3HB ALA 83 -5.431 -8.042 -8.087 626 HA PRO 84 HA PRO 84 -8.743 -9.298 -12.234 627 1HB PRO 84 1HB PRO 84 -8.496 -11.973 -10.859 628 2HB PRO 84 2HB PRO 84 -9.032 -11.607 -12.528 629 1HG PRO 84 1HG PRO 84 -6.533 -12.539 -12.077 630 2HG PRO 84 2HG PRO 84 -6.786 -11.187 -13.232 631 1HD PRO 84 1HD PRO 84 -5.893 -11.051 -10.343 632 2HD PRO 84 2HD PRO 84 -5.219 -10.219 -11.777 633 H ALA 85 H ALA 85 -10.932 -9.765 -11.609 634 HA ALA 85 HA ALA 85 -11.653 -9.880 -8.747 635 1HB ALA 85 1HB ALA 85 -12.525 -7.618 -10.609 636 2HB ALA 85 2HB ALA 85 -13.059 -7.859 -8.931 637 3HB ALA 85 3HB ALA 85 -11.366 -7.462 -9.269 638 H GLU 86 H GLU 86 -14.169 -9.864 -8.602 639 HA GLU 86 HA GLU 86 -15.475 -11.333 -10.848 640 1HB GLU 86 1HB GLU 86 -15.307 -12.210 -7.934 641 2HB GLU 86 2HB GLU 86 -16.460 -12.878 -9.074 642 1HG GLU 86 1HG GLU 86 -13.429 -13.059 -9.311 643 2HG GLU 86 2HG GLU 86 -14.505 -14.327 -8.748 644 H ILE 87 H ILE 87 -17.811 -11.506 -10.596 645 HA ILE 87 HA ILE 87 -19.043 -8.980 -10.106 646 HB ILE 87 HB ILE 87 -20.397 -11.689 -10.353 647 1HG1 ILE 87 1HG1 ILE 87 -18.955 -11.524 -12.268 648 2HG1 ILE 87 2HG1 ILE 87 -20.608 -11.259 -12.765 649 1HG2 ILE 87 1HG2 ILE 87 -22.281 -10.371 -11.306 650 2HG2 ILE 87 2HG2 ILE 87 -21.951 -9.930 -9.636 651 3HG2 ILE 87 3HG2 ILE 87 -21.409 -8.869 -10.943 652 1HD1 ILE 87 1HD1 ILE 87 -20.173 -8.795 -12.898 653 2HD1 ILE 87 2HD1 ILE 87 -18.487 -9.087 -12.411 654 3HD1 ILE 87 3HD1 ILE 87 -19.098 -9.738 -13.939 655 H SER 88 H SER 88 -19.991 -8.109 -8.362 656 HA SER 88 HA SER 88 -19.474 -8.968 -5.755 657 1HB SER 88 1HB SER 88 -20.001 -6.647 -6.560 658 2HB SER 88 2HB SER 88 -21.709 -7.105 -6.631 659 HG SER 88 HG SER 88 -20.004 -6.990 -4.341 660 H ASP 89 H ASP 89 -22.354 -9.724 -7.669 661 HA ASP 89 HA ASP 89 -23.402 -11.395 -5.414 662 1HB ASP 89 1HB ASP 89 -24.583 -9.180 -5.771 663 2HB ASP 89 2HB ASP 89 -25.077 -9.770 -7.355 664 H GLY 90 H GLY 90 -21.986 -11.794 -8.287 665 1HA GLY 90 1HA GLY 90 -21.940 -13.435 -9.896 666 2HA GLY 90 2HA GLY 90 -22.725 -14.457 -8.694 667 H GLU 91 H GLU 91 -24.240 -11.594 -10.181 668 HA GLU 91 HA GLU 91 -26.043 -13.328 -11.801 669 1HB GLU 91 1HB GLU 91 -26.773 -12.364 -9.337 670 2HB GLU 91 2HB GLU 91 -27.362 -11.068 -10.353 671 1HG GLU 91 1HG GLU 91 -28.010 -14.045 -10.603 672 2HG GLU 91 2HG GLU 91 -29.039 -12.835 -9.857 673 H ASP 92 H ASP 92 -23.825 -11.705 -12.709 674 HA ASP 92 HA ASP 92 -24.732 -9.246 -13.897 675 1HB ASP 92 1HB ASP 92 -22.385 -9.651 -13.616 676 2HB ASP 92 2HB ASP 92 -22.458 -11.146 -14.557 677 H ARG 93 H ARG 93 -25.844 -8.827 -15.688 678 HA ARG 93 HA ARG 93 -26.756 -11.066 -17.462 679 1HB ARG 93 1HB ARG 93 -28.093 -8.391 -16.903 680 2HB ARG 93 2HB ARG 93 -28.732 -9.701 -17.907 681 1HG ARG 93 1HG ARG 93 -28.745 -11.205 -15.896 682 2HG ARG 93 2HG ARG 93 -28.202 -9.838 -14.906 683 1HD ARG 93 1HD ARG 93 -30.238 -8.570 -15.572 684 2HD ARG 93 2HD ARG 93 -30.818 -10.014 -16.433 685 HE ARG 93 HE ARG 93 -30.152 -10.785 -13.766 686 1HH1 ARG 93 1HH1 ARG 93 -32.635 -8.797 -15.270 687 2HH1 ARG 93 2HH1 ARG 93 -33.732 -9.056 -13.937 688 1HH2 ARG 93 1HH2 ARG 93 -31.481 -11.049 -12.216 689 2HH2 ARG 93 2HH2 ARG 93 -33.100 -10.337 -12.194 690 H SER 94 H SER 94 -24.652 -8.441 -17.534 691 HA SER 94 HA SER 94 -24.939 -7.622 -20.336 692 1HB SER 94 1HB SER 94 -22.786 -7.150 -18.240 693 2HB SER 94 2HB SER 94 -22.840 -6.387 -19.832 694 HG SER 94 HG SER 94 -23.796 -5.103 -18.145 695 H LYS 95 H LYS 95 -24.994 -10.137 -20.659 696 HA LYS 95 HA LYS 95 -22.316 -11.021 -21.718 697 1HB LYS 95 1HB LYS 95 -24.311 -12.766 -20.213 698 2HB LYS 95 2HB LYS 95 -22.790 -13.277 -20.936 699 1HG LYS 95 1HG LYS 95 -21.624 -11.632 -19.342 700 2HG LYS 95 2HG LYS 95 -23.194 -11.467 -18.521 701 1HD LYS 95 1HD LYS 95 -23.215 -14.009 -18.294 702 2HD LYS 95 2HD LYS 95 -21.550 -14.008 -18.878 703 1HE LYS 95 1HE LYS 95 -22.637 -12.757 -16.321 704 2HE LYS 95 2HE LYS 95 -21.582 -14.164 -16.461 705 1HZ LYS 95 1HZ LYS 95 -20.902 -11.329 -16.969 706 2HZ LYS 95 2HZ LYS 95 -20.203 -12.345 -15.906 707 3HZ LYS 95 3HZ LYS 95 -19.924 -12.556 -17.503 708 H CYS 96 H CYS 96 -25.733 -10.828 -22.217 709 HA CYS 96 HA CYS 96 -25.495 -12.060 -24.906 710 1HB CYS 96 1HB CYS 96 -26.145 -13.825 -23.314 711 2HB CYS 96 2HB CYS 96 -27.527 -12.851 -22.776 712 HG CYS 96 HG CYS 96 -28.347 -14.857 -24.267 713 H CYS 97 H CYS 97 -27.225 -11.555 -26.325 714 HA CYS 97 HA CYS 97 -28.994 -9.259 -25.629 715 1HB CYS 97 1HB CYS 97 -26.929 -8.301 -26.532 716 2HB CYS 97 2HB CYS 97 -27.028 -9.359 -27.941 717 HA PRO 98 HA PRO 98 -31.241 -12.603 -27.930 718 1HB PRO 98 1HB PRO 98 -33.547 -11.264 -26.517 719 2HB PRO 98 2HB PRO 98 -33.204 -13.010 -26.709 720 1HG PRO 98 1HG PRO 98 -32.748 -11.759 -24.342 721 2HG PRO 98 2HG PRO 98 -31.571 -12.956 -24.976 722 1HD PRO 98 1HD PRO 98 -31.441 -9.933 -25.143 723 2HD PRO 98 2HD PRO 98 -30.164 -11.098 -24.678 724 H VAL 99 H VAL 99 -31.850 -9.118 -27.727 725 HA VAL 99 HA VAL 99 -33.746 -8.789 -29.824 726 HB VAL 99 HB VAL 99 -31.526 -6.868 -29.009 727 1HG1 VAL 99 1HG1 VAL 99 -33.093 -5.109 -29.785 728 2HG1 VAL 99 2HG1 VAL 99 -32.587 -6.149 -31.108 729 3HG1 VAL 99 3HG1 VAL 99 -34.205 -6.357 -30.389 730 1HG2 VAL 99 1HG2 VAL 99 -33.259 -5.813 -27.570 731 2HG2 VAL 99 2HG2 VAL 99 -34.372 -7.144 -27.948 732 3HG2 VAL 99 3HG2 VAL 99 -32.877 -7.450 -27.035 733 H CYS 100 H CYS 100 -30.251 -9.218 -29.926 734 HA CYS 100 HA CYS 100 -30.230 -9.099 -32.922 735 1HB CYS 100 1HB CYS 100 -28.018 -8.790 -30.858 736 2HB CYS 100 2HB CYS 100 -27.836 -8.710 -32.601 737 H ASN 101 H ASN 101 -30.126 -11.194 -30.342 738 HA ASN 101 HA ASN 101 -29.649 -13.302 -29.874 739 1HB ASN 101 1HB ASN 101 -31.225 -13.674 -31.765 740 2HB ASN 101 2HB ASN 101 -29.854 -13.770 -32.874 741 1HD2 ASN 101 1HD2 ASN 101 -30.300 -15.947 -33.485 742 2HD2 ASN 101 2HD2 ASN 101 -30.077 -17.271 -32.350 743 H MET 102 H MET 102 -27.614 -12.023 -29.407 744 HA MET 102 HA MET 102 -25.254 -13.615 -30.326 745 1HB MET 102 1HB MET 102 -25.340 -10.574 -30.100 746 2HB MET 102 2HB MET 102 -23.889 -11.544 -30.375 747 1HG MET 102 1HG MET 102 -25.044 -12.463 -32.459 748 2HG MET 102 2HG MET 102 -26.224 -11.168 -32.256 749 1HE MET 102 1HE MET 102 -24.272 -8.735 -31.180 750 2HE MET 102 2HE MET 102 -23.952 -7.950 -32.739 751 3HE MET 102 3HE MET 102 -25.583 -8.546 -32.369 752 H THR 103 H THR 103 -23.333 -13.249 -28.922 753 HA THR 103 HA THR 103 -23.932 -12.650 -26.065 754 HB THR 103 HB THR 103 -22.495 -14.565 -25.404 755 HG1 THR 103 HG1 THR 103 -22.971 -15.529 -28.023 756 1HG2 THR 103 1HG2 THR 103 -24.181 -16.317 -25.681 757 2HG2 THR 103 2HG2 THR 103 -24.930 -14.771 -25.254 758 3HG2 THR 103 3HG2 THR 103 -25.013 -15.358 -26.927 759 H PHE 104 H PHE 104 -21.963 -12.302 -24.770 760 HA PHE 104 HA PHE 104 -19.700 -11.174 -26.379 761 1HB PHE 104 1HB PHE 104 -20.811 -9.835 -23.907 762 2HB PHE 104 2HB PHE 104 -19.724 -9.182 -25.115 763 HD1 PHE 104 HD1 PHE 104 -23.128 -9.411 -24.034 764 HD2 PHE 104 HD2 PHE 104 -20.697 -8.895 -27.556 765 HE1 PHE 104 HE1 PHE 104 -25.069 -8.444 -25.224 766 HE2 PHE 104 HE2 PHE 104 -22.653 -7.940 -28.757 767 HZ PHE 104 HZ PHE 104 -24.840 -7.728 -27.603 768 H SER 105 H SER 105 -17.668 -11.189 -25.473 769 HA SER 105 HA SER 105 -17.118 -13.222 -23.448 770 1HB SER 105 1HB SER 105 -14.754 -12.693 -24.033 771 2HB SER 105 2HB SER 105 -15.753 -13.100 -25.437 772 HG SER 105 HG SER 105 -14.451 -11.230 -25.796 773 H SER 106 H SER 106 -17.694 -9.853 -23.267 774 HA SER 106 HA SER 106 -16.760 -9.713 -20.476 775 1HB SER 106 1HB SER 106 -14.753 -9.020 -21.569 776 2HB SER 106 2HB SER 106 -15.636 -8.058 -22.763 777 HG SER 106 HG SER 106 -14.593 -6.876 -20.993 778 HA PRO 107 HA PRO 107 -20.432 -7.164 -20.308 779 1HB PRO 107 1HB PRO 107 -20.012 -5.687 -18.029 780 2HB PRO 107 2HB PRO 107 -20.443 -7.425 -18.027 781 1HG PRO 107 1HG PRO 107 -17.680 -6.200 -17.801 782 2HG PRO 107 2HG PRO 107 -18.415 -7.477 -16.776 783 1HD PRO 107 1HD PRO 107 -16.751 -8.094 -18.820 784 2HD PRO 107 2HD PRO 107 -18.187 -9.101 -18.483 785 H VAL 108 H VAL 108 -17.211 -5.755 -20.453 786 HA VAL 108 HA VAL 108 -17.982 -3.012 -20.943 787 HB VAL 108 HB VAL 108 -15.481 -4.491 -21.858 788 1HG1 VAL 108 1HG1 VAL 108 -16.039 -1.511 -21.507 789 2HG1 VAL 108 2HG1 VAL 108 -14.449 -2.227 -21.855 790 3HG1 VAL 108 3HG1 VAL 108 -15.745 -2.352 -23.045 791 1HG2 VAL 108 1HG2 VAL 108 -15.693 -4.620 -19.404 792 2HG2 VAL 108 2HG2 VAL 108 -14.422 -3.480 -19.843 793 3HG2 VAL 108 3HG2 VAL 108 -16.009 -2.872 -19.323 794 H VAL 109 H VAL 109 -17.560 -5.865 -23.031 795 HA VAL 109 HA VAL 109 -18.009 -4.449 -25.544 796 HB VAL 109 HB VAL 109 -18.244 -7.418 -24.897 797 1HG1 VAL 109 1HG1 VAL 109 -19.421 -6.851 -26.997 798 2HG1 VAL 109 2HG1 VAL 109 -17.984 -5.986 -27.579 799 3HG1 VAL 109 3HG1 VAL 109 -17.937 -7.746 -27.331 800 1HG2 VAL 109 1HG2 VAL 109 -16.001 -7.604 -25.911 801 2HG2 VAL 109 2HG2 VAL 109 -15.933 -5.839 -26.112 802 3HG2 VAL 109 3HG2 VAL 109 -15.948 -6.557 -24.490 803 H ALA 110 H ALA 110 -20.040 -6.350 -23.287 804 HA ALA 110 HA ALA 110 -22.480 -6.297 -24.739 805 1HB ALA 110 1HB ALA 110 -21.976 -7.727 -22.794 806 2HB ALA 110 2HB ALA 110 -22.013 -6.297 -21.754 807 3HB ALA 110 3HB ALA 110 -23.491 -6.817 -22.593 808 H GLU 111 H GLU 111 -21.402 -3.985 -22.126 809 HA GLU 111 HA GLU 111 -23.698 -2.309 -22.413 810 1HB GLU 111 1HB GLU 111 -22.628 -0.715 -21.071 811 2HB GLU 111 2HB GLU 111 -22.241 -2.314 -20.436 812 1HG GLU 111 1HG GLU 111 -19.987 -2.141 -21.476 813 2HG GLU 111 2HG GLU 111 -20.381 -0.522 -22.055 814 H SER 112 H SER 112 -20.566 -2.183 -24.031 815 HA SER 112 HA SER 112 -20.985 0.267 -25.487 816 1HB SER 112 1HB SER 112 -19.286 -2.145 -26.257 817 2HB SER 112 2HB SER 112 -19.219 -0.538 -26.998 818 HG SER 112 HG SER 112 -18.450 -1.355 -24.409 819 H HIS 113 H HIS 113 -21.786 -3.149 -26.277 820 HA HIS 113 HA HIS 113 -22.699 -2.668 -28.940 821 1HB HIS 113 1HB HIS 113 -22.155 -4.903 -28.168 822 2HB HIS 113 2HB HIS 113 -23.407 -4.838 -26.927 823 HD1 HIS 113 HD1 HIS 113 -23.066 -5.234 -30.736 824 HD2 HIS 113 HD2 HIS 113 -25.973 -5.126 -27.693 825 HE1 HIS 113 HE1 HIS 113 -25.275 -5.939 -31.812 826 H TYR 114 H TYR 114 -24.556 -2.762 -25.831 827 HA TYR 114 HA TYR 114 -27.115 -2.378 -26.935 828 1HB TYR 114 1HB TYR 114 -26.123 -1.350 -24.264 829 2HB TYR 114 2HB TYR 114 -27.798 -1.627 -24.710 830 HD1 TYR 114 HD1 TYR 114 -25.870 -2.761 -22.412 831 HD2 TYR 114 HD2 TYR 114 -27.649 -4.363 -26.002 832 HE1 TYR 114 HE1 TYR 114 -25.709 -5.058 -21.467 833 HE2 TYR 114 HE2 TYR 114 -27.544 -6.643 -25.033 834 HH TYR 114 HH TYR 114 -26.893 -7.947 -23.203 835 H ILE 115 H ILE 115 -24.633 0.013 -26.862 836 HA ILE 115 HA ILE 115 -26.622 2.147 -27.516 837 HB ILE 115 HB ILE 115 -25.072 3.816 -26.670 838 1HG1 ILE 115 1HG1 ILE 115 -23.281 3.091 -25.029 839 2HG1 ILE 115 2HG1 ILE 115 -23.345 1.484 -25.735 840 1HG2 ILE 115 1HG2 ILE 115 -26.883 2.842 -25.274 841 2HG2 ILE 115 2HG2 ILE 115 -25.708 1.703 -24.577 842 3HG2 ILE 115 3HG2 ILE 115 -25.518 3.448 -24.325 843 1HD1 ILE 115 1HD1 ILE 115 -22.525 2.373 -27.880 844 2HD1 ILE 115 2HD1 ILE 115 -22.652 4.036 -27.257 845 3HD1 ILE 115 3HD1 ILE 115 -21.472 2.905 -26.567 846 H GLY 116 H GLY 116 -24.658 0.107 -29.075 847 1HA GLY 116 1HA GLY 116 -23.447 2.018 -30.987 848 2HA GLY 116 2HA GLY 116 -23.248 0.268 -30.958 849 H LYS 117 H LYS 117 -23.806 1.825 -33.290 850 HA LYS 117 HA LYS 117 -26.552 1.856 -33.981 851 1HB LYS 117 1HB LYS 117 -24.648 3.089 -35.096 852 2HB LYS 117 2HB LYS 117 -24.281 1.600 -35.984 853 1HG LYS 117 1HG LYS 117 -26.557 1.599 -36.947 854 2HG LYS 117 2HG LYS 117 -27.004 3.004 -35.977 855 1HD LYS 117 1HD LYS 117 -24.882 2.965 -38.166 856 2HD LYS 117 2HD LYS 117 -26.550 3.546 -38.338 857 1HE LYS 117 1HE LYS 117 -26.131 5.264 -36.583 858 2HE LYS 117 2HE LYS 117 -24.451 4.723 -36.458 859 1HZ LYS 117 1HZ LYS 117 -25.695 5.854 -38.910 860 2HZ LYS 117 2HZ LYS 117 -24.652 6.638 -37.933 861 3HZ LYS 117 3HZ LYS 117 -24.144 5.350 -38.795 862 H THR 118 H THR 118 -24.322 -0.872 -34.125 863 HA THR 118 HA THR 118 -25.764 -2.621 -35.837 864 HB THR 118 HB THR 118 -24.289 -3.429 -33.301 865 HG1 THR 118 HG1 THR 118 -23.213 -2.987 -35.888 866 1HG2 THR 118 1HG2 THR 118 -23.653 -5.425 -34.633 867 2HG2 THR 118 2HG2 THR 118 -25.405 -5.316 -34.415 868 3HG2 THR 118 3HG2 THR 118 -24.679 -4.858 -35.971 869 H HIS 119 H HIS 119 -26.219 -1.925 -32.359 870 HA HIS 119 HA HIS 119 -28.370 -3.836 -31.954 871 1HB HIS 119 1HB HIS 119 -26.840 -2.910 -30.212 872 2HB HIS 119 2HB HIS 119 -27.638 -1.343 -30.361 873 HD2 HIS 119 HD2 HIS 119 -29.665 -1.000 -28.754 874 HE1 HIS 119 HE1 HIS 119 -30.282 -5.051 -27.566 875 HE2 HIS 119 HE2 HIS 119 -30.994 -2.634 -27.169 876 H ILE 120 H ILE 120 -28.214 -0.327 -32.636 877 HA ILE 120 HA ILE 120 -31.015 0.206 -32.583 878 HB ILE 120 HB ILE 120 -28.714 1.629 -33.917 879 1HG1 ILE 120 1HG1 ILE 120 -30.357 2.118 -31.377 880 2HG1 ILE 120 2HG1 ILE 120 -28.737 1.445 -31.424 881 1HG2 ILE 120 1HG2 ILE 120 -30.742 2.232 -35.169 882 2HG2 ILE 120 2HG2 ILE 120 -31.589 2.603 -33.646 883 3HG2 ILE 120 3HG2 ILE 120 -30.203 3.578 -34.191 884 1HD1 ILE 120 1HD1 ILE 120 -29.488 4.291 -32.161 885 2HD1 ILE 120 2HD1 ILE 120 -28.525 3.729 -30.788 886 3HD1 ILE 120 3HD1 ILE 120 -27.879 3.573 -32.433 887 H LYS 121 H LYS 121 -28.972 -0.894 -35.316 888 HA LYS 121 HA LYS 121 -31.066 -0.839 -37.314 889 1HB LYS 121 1HB LYS 121 -28.548 -2.535 -36.997 890 2HB LYS 121 2HB LYS 121 -29.630 -2.671 -38.390 891 1HG LYS 121 1HG LYS 121 -29.285 -0.326 -38.977 892 2HG LYS 121 2HG LYS 121 -28.254 -0.082 -37.555 893 1HD LYS 121 1HD LYS 121 -26.637 -1.718 -38.422 894 2HD LYS 121 2HD LYS 121 -27.679 -2.004 -39.838 895 1HE LYS 121 1HE LYS 121 -27.460 0.397 -40.466 896 2HE LYS 121 2HE LYS 121 -26.394 0.659 -39.080 897 1HZ LYS 121 1HZ LYS 121 -25.816 -1.172 -41.351 898 2HZ LYS 121 2HZ LYS 121 -25.124 0.284 -41.121 899 3HZ LYS 121 3HZ LYS 121 -24.826 -0.931 -40.073 900 H ASN 122 H ASN 122 -30.329 -3.189 -34.780 901 HA ASN 122 HA ASN 122 -32.348 -5.091 -35.730 902 1HB ASN 122 1HB ASN 122 -30.576 -4.943 -33.275 903 2HB ASN 122 2HB ASN 122 -31.888 -6.105 -33.407 904 1HD2 ASN 122 1HD2 ASN 122 -28.743 -5.162 -34.851 905 2HD2 ASN 122 2HD2 ASN 122 -28.571 -6.691 -35.699 906 H LEU 123 H LEU 123 -32.375 -2.274 -33.543 907 HA LEU 123 HA LEU 123 -35.002 -2.822 -32.411 908 1HB LEU 123 1HB LEU 123 -33.798 -0.076 -32.947 909 2HB LEU 123 2HB LEU 123 -35.099 -0.473 -31.845 910 HG LEU 123 HG LEU 123 -32.181 -1.224 -31.503 911 1HD1 LEU 123 1HD1 LEU 123 -32.709 1.177 -31.177 912 2HD1 LEU 123 2HD1 LEU 123 -33.925 0.728 -29.966 913 3HD1 LEU 123 3HD1 LEU 123 -32.204 0.382 -29.676 914 1HD2 LEU 123 1HD2 LEU 123 -33.573 -2.941 -30.467 915 2HD2 LEU 123 2HD2 LEU 123 -32.746 -1.942 -29.264 916 3HD2 LEU 123 3HD2 LEU 123 -34.480 -1.683 -29.585 917 H ARG 124 H ARG 124 -33.828 -1.038 -35.280 918 HA ARG 124 HA ARG 124 -36.334 -0.133 -36.289 919 1HB ARG 124 1HB ARG 124 -33.715 -0.758 -37.697 920 2HB ARG 124 2HB ARG 124 -35.131 -0.106 -38.529 921 1HG ARG 124 1HG ARG 124 -35.176 1.831 -36.993 922 2HG ARG 124 2HG ARG 124 -33.730 1.226 -36.168 923 1HD ARG 124 1HD ARG 124 -32.430 1.402 -38.239 924 2HD ARG 124 2HD ARG 124 -33.860 1.903 -39.142 925 HE ARG 124 HE ARG 124 -32.232 3.529 -37.315 926 1HH1 ARG 124 1HH1 ARG 124 -35.350 3.414 -38.963 927 2HH1 ARG 124 2HH1 ARG 124 -35.552 5.142 -38.836 928 1HH2 ARG 124 1HH2 ARG 124 -32.601 5.712 -37.183 929 2HH2 ARG 124 2HH2 ARG 124 -34.054 6.391 -37.853 930 H LEU 125 H LEU 125 -34.933 -3.367 -36.545 931 HA LEU 125 HA LEU 125 -36.704 -4.369 -38.574 932 1HB LEU 125 1HB LEU 125 -35.542 -5.852 -36.182 933 2HB LEU 125 2HB LEU 125 -36.293 -6.603 -37.578 934 HG LEU 125 HG LEU 125 -33.724 -4.981 -37.632 935 1HD1 LEU 125 1HD1 LEU 125 -34.199 -7.968 -37.931 936 2HD1 LEU 125 2HD1 LEU 125 -32.635 -7.131 -38.031 937 3HD1 LEU 125 3HD1 LEU 125 -33.519 -7.169 -36.498 938 1HD2 LEU 125 1HD2 LEU 125 -35.113 -6.552 -39.841 939 2HD2 LEU 125 2HD2 LEU 125 -34.859 -4.790 -39.794 940 3HD2 LEU 125 3HD2 LEU 125 -33.472 -5.872 -39.937 941 H ARG 126 H ARG 126 -37.330 -3.602 -35.206 942 HA ARG 126 HA ARG 126 -40.025 -4.905 -35.239 943 1HB ARG 126 1HB ARG 126 -38.410 -3.563 -33.016 944 2HB ARG 126 2HB ARG 126 -40.073 -4.097 -32.852 945 1HG ARG 126 1HG ARG 126 -38.747 -5.765 -31.870 946 2HG ARG 126 2HG ARG 126 -39.374 -6.440 -33.378 947 1HD ARG 126 1HD ARG 126 -37.176 -6.109 -34.447 948 2HD ARG 126 2HD ARG 126 -36.578 -5.292 -32.986 949 HE ARG 126 HE ARG 126 -37.592 -7.952 -32.429 950 1HH1 ARG 126 1HH1 ARG 126 -34.715 -6.322 -33.647 951 2HH1 ARG 126 2HH1 ARG 126 -33.693 -7.663 -33.126 952 1HH2 ARG 126 1HH2 ARG 126 -36.166 -9.608 -31.897 953 2HH2 ARG 126 2HH2 ARG 126 -34.464 -9.397 -32.250 954 H GLU 127 H GLU 127 -38.509 -1.687 -34.934 955 HA GLU 127 HA GLU 127 -41.022 -0.257 -34.684 956 1HB GLU 127 1HB GLU 127 -38.230 0.705 -35.421 957 2HB GLU 127 2HB GLU 127 -39.610 1.756 -35.096 958 1HG GLU 127 1HG GLU 127 -39.813 0.744 -32.812 959 2HG GLU 127 2HG GLU 127 -38.335 -0.170 -33.108 960 H GLN 128 H GLN 128 -39.316 -1.435 -37.486 961 HA GLN 128 HA GLN 128 -41.236 -0.041 -39.317 962 1HB GLN 128 1HB GLN 128 -38.268 -0.522 -39.833 963 2HB GLN 128 2HB GLN 128 -39.427 0.196 -40.949 964 1HG GLN 128 1HG GLN 128 -39.739 2.117 -39.405 965 2HG GLN 128 2HG GLN 128 -38.570 1.409 -38.281 966 1HE2 GLN 128 1HE2 GLN 128 -38.877 2.751 -41.613 967 2HE2 GLN 128 2HE2 GLN 128 -37.174 3.172 -41.725 Start of MODEL 10 1 1H ALA 2 1H ALA 2 -25.588 23.494 29.508 2 HA ALA 2 HA ALA 2 -24.899 25.024 27.180 3 1HB ALA 2 1HB ALA 2 -23.461 23.282 28.184 4 2HB ALA 2 2HB ALA 2 -24.651 22.034 27.740 5 3HB ALA 2 3HB ALA 2 -23.787 22.936 26.477 6 H ASP 3 H ASP 3 -25.297 24.497 24.956 7 HA ASP 3 HA ASP 3 -27.844 23.077 24.311 8 1HB ASP 3 1HB ASP 3 -28.175 25.561 24.668 9 2HB ASP 3 2HB ASP 3 -27.093 25.849 23.308 10 H GLU 4 H GLU 4 -24.652 23.006 23.748 11 HA GLU 4 HA GLU 4 -24.543 22.866 20.841 12 1HB GLU 4 1HB GLU 4 -22.225 22.257 21.168 13 2HB GLU 4 2HB GLU 4 -22.648 23.637 22.175 14 1HG GLU 4 1HG GLU 4 -22.838 22.131 24.157 15 2HG GLU 4 2HG GLU 4 -22.410 20.751 23.146 16 H PHE 5 H PHE 5 -25.752 20.650 23.072 17 HA PHE 5 HA PHE 5 -24.800 18.167 21.910 18 1HB PHE 5 1HB PHE 5 -25.468 18.362 24.255 19 2HB PHE 5 2HB PHE 5 -27.093 18.846 23.790 20 HD1 PHE 5 HD1 PHE 5 -24.659 15.998 23.298 21 HD2 PHE 5 HD2 PHE 5 -28.780 17.204 23.737 22 HE1 PHE 5 HE1 PHE 5 -25.366 13.616 23.262 23 HE2 PHE 5 HE2 PHE 5 -29.477 14.823 23.732 24 HZ PHE 5 HZ PHE 5 -27.771 13.024 23.479 25 H GLY 6 H GLY 6 -26.063 16.574 20.828 26 1HA GLY 6 1HA GLY 6 -28.666 17.010 19.717 27 2HA GLY 6 2HA GLY 6 -27.428 17.319 18.494 28 H ASN 7 H ASN 7 -29.298 15.314 18.200 29 HA ASN 7 HA ASN 7 -27.670 12.934 17.811 30 1HB ASN 7 1HB ASN 7 -29.087 11.427 19.151 31 2HB ASN 7 2HB ASN 7 -28.334 12.629 20.175 32 1HD2 ASN 7 1HD2 ASN 7 -29.672 14.024 21.379 33 2HD2 ASN 7 2HD2 ASN 7 -31.427 13.929 21.305 34 H GLY 8 H GLY 8 -29.206 11.105 16.884 35 1HA GLY 8 1HA GLY 8 -30.793 10.413 15.347 36 2HA GLY 8 2HA GLY 8 -31.619 11.966 15.499 37 H ASP 9 H ASP 9 -28.243 11.399 14.532 38 HA ASP 9 HA ASP 9 -28.770 12.242 11.725 39 1HB ASP 9 1HB ASP 9 -27.017 13.875 11.812 40 2HB ASP 9 2HB ASP 9 -28.168 14.231 13.088 41 H ALA 10 H ALA 10 -26.735 12.048 10.370 42 HA ALA 10 HA ALA 10 -24.916 9.832 11.098 43 1HB ALA 10 1HB ALA 10 -26.745 9.794 8.652 44 2HB ALA 10 2HB ALA 10 -25.503 8.586 9.049 45 3HB ALA 10 3HB ALA 10 -26.922 8.766 10.091 46 H LEU 11 H LEU 11 -23.332 9.444 9.187 47 HA LEU 11 HA LEU 11 -22.658 11.762 7.558 48 1HB LEU 11 1HB LEU 11 -21.703 12.224 9.850 49 2HB LEU 11 2HB LEU 11 -20.846 10.692 9.778 50 HG LEU 11 HG LEU 11 -19.517 11.557 7.837 51 1HD1 LEU 11 1HD1 LEU 11 -19.531 13.985 7.369 52 2HD1 LEU 11 2HD1 LEU 11 -21.077 13.250 6.941 53 3HD1 LEU 11 3HD1 LEU 11 -20.932 14.186 8.443 54 1HD2 LEU 11 1HD2 LEU 11 -19.468 13.293 10.333 55 2HD2 LEU 11 2HD2 LEU 11 -18.652 11.728 10.121 56 3HD2 LEU 11 3HD2 LEU 11 -18.148 13.121 9.154 57 H ASP 12 H ASP 12 -21.260 11.203 5.925 58 HA ASP 12 HA ASP 12 -21.135 8.429 5.059 59 1HB ASP 12 1HB ASP 12 -19.994 10.991 3.864 60 2HB ASP 12 2HB ASP 12 -20.014 9.429 3.048 61 H LEU 13 H LEU 13 -19.412 9.626 7.355 62 HA LEU 13 HA LEU 13 -16.916 8.088 6.918 63 1HB LEU 13 1HB LEU 13 -17.101 10.948 8.025 64 2HB LEU 13 2HB LEU 13 -15.693 9.931 8.103 65 HG LEU 13 HG LEU 13 -15.931 9.888 5.439 66 1HD1 LEU 13 1HD1 LEU 13 -17.138 12.592 6.229 67 2HD1 LEU 13 2HD1 LEU 13 -16.608 12.121 4.596 68 3HD1 LEU 13 3HD1 LEU 13 -17.988 11.321 5.341 69 1HD2 LEU 13 1HD2 LEU 13 -13.990 10.712 6.732 70 2HD2 LEU 13 2HD2 LEU 13 -14.366 11.770 5.367 71 3HD2 LEU 13 3HD2 LEU 13 -14.823 12.250 7.023 72 HA PRO 14 HA PRO 14 -18.005 6.709 11.027 73 1HB PRO 14 1HB PRO 14 -15.607 6.493 12.380 74 2HB PRO 14 2HB PRO 14 -16.155 5.340 11.125 75 1HG PRO 14 1HG PRO 14 -14.303 7.696 10.785 76 2HG PRO 14 2HG PRO 14 -14.067 6.028 10.211 77 1HD PRO 14 1HD PRO 14 -15.000 7.939 8.552 78 2HD PRO 14 2HD PRO 14 -15.708 6.302 8.497 79 H VAL 15 H VAL 15 -18.566 7.580 13.020 80 HA VAL 15 HA VAL 15 -17.460 10.194 13.859 81 HB VAL 15 HB VAL 15 -19.263 10.549 12.166 82 1HG1 VAL 15 1HG1 VAL 15 -21.597 10.318 12.727 83 2HG1 VAL 15 2HG1 VAL 15 -20.808 8.736 12.786 84 3HG1 VAL 15 3HG1 VAL 15 -21.204 9.592 14.295 85 1HG2 VAL 15 1HG2 VAL 15 -20.302 12.406 13.214 86 2HG2 VAL 15 2HG2 VAL 15 -19.950 11.794 14.836 87 3HG2 VAL 15 3HG2 VAL 15 -18.623 12.304 13.767 88 H GLY 16 H GLY 16 -17.330 7.532 14.955 89 1HA GLY 16 1HA GLY 16 -17.790 8.160 17.730 90 2HA GLY 16 2HA GLY 16 -18.963 6.971 17.158 91 H LYS 17 H LYS 17 -17.325 6.278 19.171 92 HA LYS 17 HA LYS 17 -14.791 5.118 18.576 93 1HB LYS 17 1HB LYS 17 -16.815 4.065 20.612 94 2HB LYS 17 2HB LYS 17 -15.068 3.886 20.658 95 1HG LYS 17 1HG LYS 17 -16.645 6.460 21.086 96 2HG LYS 17 2HG LYS 17 -15.862 5.471 22.318 97 1HD LYS 17 1HD LYS 17 -13.658 5.889 21.183 98 2HD LYS 17 2HD LYS 17 -14.464 7.053 20.119 99 1HE LYS 17 1HE LYS 17 -14.358 7.191 23.173 100 2HE LYS 17 2HE LYS 17 -13.291 8.082 22.089 101 1HZ LYS 17 1HZ LYS 17 -16.239 8.429 22.238 102 2HZ LYS 17 2HZ LYS 17 -15.125 9.471 22.803 103 3HZ LYS 17 3HZ LYS 17 -15.259 9.230 21.197 104 H ASP 18 H ASP 18 -18.032 3.668 18.511 105 HA ASP 18 HA ASP 18 -17.242 0.986 17.885 106 1HB ASP 18 1HB ASP 18 -19.858 2.473 17.414 107 2HB ASP 18 2HB ASP 18 -19.640 0.739 17.196 108 H ALA 19 H ALA 19 -18.136 3.743 15.764 109 HA ALA 19 HA ALA 19 -18.129 2.253 13.318 110 1HB ALA 19 1HB ALA 19 -17.569 5.218 13.768 111 2HB ALA 19 2HB ALA 19 -18.016 4.433 12.235 112 3HB ALA 19 3HB ALA 19 -19.182 4.483 13.571 113 H VAL 20 H VAL 20 -15.513 4.114 14.989 114 HA VAL 20 HA VAL 20 -13.536 3.559 12.936 115 HB VAL 20 HB VAL 20 -13.236 4.417 15.834 116 1HG1 VAL 20 1HG1 VAL 20 -11.149 3.336 15.240 117 2HG1 VAL 20 2HG1 VAL 20 -11.141 4.112 13.642 118 3HG1 VAL 20 3HG1 VAL 20 -10.895 5.077 15.115 119 1HG2 VAL 20 1HG2 VAL 20 -13.012 5.888 13.160 120 2HG2 VAL 20 2HG2 VAL 20 -14.309 6.077 14.361 121 3HG2 VAL 20 3HG2 VAL 20 -12.662 6.602 14.744 122 H ASN 21 H ASN 21 -14.365 1.874 16.025 123 HA ASN 21 HA ASN 21 -12.327 -0.112 15.869 124 1HB ASN 21 1HB ASN 21 -13.587 0.295 17.896 125 2HB ASN 21 2HB ASN 21 -15.117 -0.044 17.093 126 1HD2 ASN 21 1HD2 ASN 21 -15.880 -2.107 17.124 127 2HD2 ASN 21 2HD2 ASN 21 -14.949 -3.490 17.691 128 H SER 22 H SER 22 -15.677 -0.120 14.531 129 HA SER 22 HA SER 22 -15.499 -2.731 13.348 130 1HB SER 22 1HB SER 22 -17.589 -1.366 13.859 131 2HB SER 22 2HB SER 22 -17.247 -0.442 12.383 132 HG SER 22 HG SER 22 -18.644 -2.193 11.968 133 H LEU 23 H LEU 23 -14.765 0.543 12.037 134 HA LEU 23 HA LEU 23 -14.216 -0.278 9.362 135 1HB LEU 23 1HB LEU 23 -14.651 2.045 10.151 136 2HB LEU 23 2HB LEU 23 -13.109 2.043 11.004 137 HG LEU 23 HG LEU 23 -11.912 1.864 8.833 138 1HD1 LEU 23 1HD1 LEU 23 -13.633 0.733 7.457 139 2HD1 LEU 23 2HD1 LEU 23 -14.709 2.136 7.630 140 3HD1 LEU 23 3HD1 LEU 23 -13.183 2.278 6.730 141 1HD2 LEU 23 1HD2 LEU 23 -12.440 4.158 8.083 142 2HD2 LEU 23 2HD2 LEU 23 -13.977 4.099 8.978 143 3HD2 LEU 23 3HD2 LEU 23 -12.430 4.063 9.853 144 H ILE 24 H ILE 24 -12.080 -0.081 12.225 145 HA ILE 24 HA ILE 24 -9.661 -0.915 10.866 146 HB ILE 24 HB ILE 24 -10.512 -1.019 13.785 147 1HG1 ILE 24 1HG1 ILE 24 -8.431 0.790 12.473 148 2HG1 ILE 24 2HG1 ILE 24 -10.118 1.257 12.610 149 1HG2 ILE 24 1HG2 ILE 24 -7.796 -1.653 12.550 150 2HG2 ILE 24 2HG2 ILE 24 -8.072 -1.412 14.289 151 3HG2 ILE 24 3HG2 ILE 24 -8.826 -2.767 13.472 152 1HD1 ILE 24 1HD1 ILE 24 -9.967 0.929 15.115 153 2HD1 ILE 24 2HD1 ILE 24 -8.208 0.725 14.917 154 3HD1 ILE 24 3HD1 ILE 24 -8.982 2.245 14.462 155 H ARG 25 H ARG 25 -12.213 -2.709 12.652 156 HA ARG 25 HA ARG 25 -11.114 -5.332 12.429 157 1HB ARG 25 1HB ARG 25 -12.954 -4.622 13.944 158 2HB ARG 25 2HB ARG 25 -14.006 -4.416 12.537 159 1HG ARG 25 1HG ARG 25 -13.659 -6.899 12.094 160 2HG ARG 25 2HG ARG 25 -12.831 -6.962 13.656 161 1HD ARG 25 1HD ARG 25 -15.206 -7.670 13.848 162 2HD ARG 25 2HD ARG 25 -14.855 -6.240 14.815 163 HE ARG 25 HE ARG 25 -16.434 -5.079 13.611 164 1HH1 ARG 25 1HH1 ARG 25 -15.620 -7.831 11.543 165 2HH1 ARG 25 2HH1 ARG 25 -16.504 -7.097 10.200 166 1HH2 ARG 25 1HH2 ARG 25 -17.477 -4.304 11.746 167 2HH2 ARG 25 2HH2 ARG 25 -17.501 -5.369 10.346 168 H GLU 26 H GLU 26 -13.272 -3.585 10.176 169 HA GLU 26 HA GLU 26 -13.507 -5.769 8.267 170 1HB GLU 26 1HB GLU 26 -14.028 -2.774 8.127 171 2HB GLU 26 2HB GLU 26 -14.297 -3.828 6.752 172 1HG GLU 26 1HG GLU 26 -15.673 -4.090 9.448 173 2HG GLU 26 2HG GLU 26 -16.360 -3.325 8.022 174 H ASN 27 H ASN 27 -10.972 -3.446 8.815 175 HA ASN 27 HA ASN 27 -9.651 -4.205 6.238 176 1HB ASN 27 1HB ASN 27 -9.831 -1.443 7.478 177 2HB ASN 27 2HB ASN 27 -8.931 -1.841 6.023 178 1HD2 ASN 27 1HD2 ASN 27 -12.066 -1.163 7.338 179 2HD2 ASN 27 2HD2 ASN 27 -12.909 -1.156 5.781 180 H SER 28 H SER 28 -9.146 -5.387 8.832 181 HA SER 28 HA SER 28 -6.987 -4.283 10.234 182 1HB SER 28 1HB SER 28 -7.693 -7.208 9.872 183 2HB SER 28 2HB SER 28 -6.605 -6.554 11.113 184 HG SER 28 HG SER 28 -8.885 -5.135 11.112 185 H HIS 29 H HIS 29 -6.777 -5.513 7.058 186 HA HIS 29 HA HIS 29 -3.961 -6.312 7.119 187 1HB HIS 29 1HB HIS 29 -4.263 -6.553 4.711 188 2HB HIS 29 2HB HIS 29 -5.553 -7.364 5.585 189 HD2 HIS 29 HD2 HIS 29 -5.186 -5.478 2.571 190 HE1 HIS 29 HE1 HIS 29 -9.030 -4.213 3.913 191 HE2 HIS 29 HE2 HIS 29 -7.441 -4.278 1.928 192 H ILE 30 H ILE 30 -5.665 -3.300 6.824 193 HA ILE 30 HA ILE 30 -3.134 -1.882 6.094 194 HB ILE 30 HB ILE 30 -4.493 -0.243 4.819 195 1HG1 ILE 30 1HG1 ILE 30 -6.694 -2.350 4.957 196 2HG1 ILE 30 2HG1 ILE 30 -6.715 -0.800 5.794 197 1HG2 ILE 30 1HG2 ILE 30 -4.544 -3.059 3.686 198 2HG2 ILE 30 2HG2 ILE 30 -4.497 -1.536 2.776 199 3HG2 ILE 30 3HG2 ILE 30 -3.114 -2.011 3.763 200 1HD1 ILE 30 1HD1 ILE 30 -6.780 -1.215 2.781 201 2HD1 ILE 30 2HD1 ILE 30 -8.092 -0.653 3.830 202 3HD1 ILE 30 3HD1 ILE 30 -6.666 0.369 3.590 203 H PHE 31 H PHE 31 -5.893 -1.938 8.197 204 HA PHE 31 HA PHE 31 -4.972 0.611 9.498 205 1HB PHE 31 1HB PHE 31 -7.730 -0.652 9.564 206 2HB PHE 31 2HB PHE 31 -7.263 0.856 10.320 207 HD1 PHE 31 HD1 PHE 31 -9.671 0.517 8.695 208 HD2 PHE 31 HD2 PHE 31 -5.704 1.742 7.539 209 HE1 PHE 31 HE1 PHE 31 -10.595 1.589 6.657 210 HE2 PHE 31 HE2 PHE 31 -6.631 2.812 5.510 211 HZ PHE 31 HZ PHE 31 -9.073 2.692 5.040 212 H SER 32 H SER 32 -4.921 0.571 11.779 213 HA SER 32 HA SER 32 -5.566 -1.872 13.269 214 1HB SER 32 1HB SER 32 -3.361 -2.331 14.095 215 2HB SER 32 2HB SER 32 -3.287 -2.346 12.329 216 HG SER 32 HG SER 32 -2.504 -0.185 12.432 217 H ASP 33 H ASP 33 -4.931 -1.623 15.612 218 HA ASP 33 HA ASP 33 -6.135 0.679 16.730 219 1HB ASP 33 1HB ASP 33 -5.970 -1.634 17.693 220 2HB ASP 33 2HB ASP 33 -4.259 -1.346 18.018 221 H THR 34 H THR 34 -2.822 0.260 15.709 222 HA THR 34 HA THR 34 -2.044 2.832 17.015 223 HB THR 34 HB THR 34 0.206 1.885 17.453 224 HG1 THR 34 HG1 THR 34 0.420 -0.364 17.395 225 1HG2 THR 34 1HG2 THR 34 -0.349 0.626 19.431 226 2HG2 THR 34 2HG2 THR 34 -1.522 1.941 19.247 227 3HG2 THR 34 3HG2 THR 34 -1.981 0.276 18.825 228 H GLN 35 H GLN 35 -2.386 1.483 13.971 229 HA GLN 35 HA GLN 35 -0.672 3.551 12.829 230 1HB GLN 35 1HB GLN 35 0.912 1.625 13.360 231 2HB GLN 35 2HB GLN 35 -0.034 0.609 12.277 232 1HG GLN 35 1HG GLN 35 0.605 2.090 10.365 233 2HG GLN 35 2HG GLN 35 1.475 3.136 11.494 234 1HE2 GLN 35 1HE2 GLN 35 3.598 2.847 10.698 235 2HE2 GLN 35 2HE2 GLN 35 4.375 1.271 10.685 236 H CYS 36 H CYS 36 -1.117 4.044 10.710 237 HA CYS 36 HA CYS 36 -3.227 2.460 9.249 238 1HB CYS 36 1HB CYS 36 -4.100 4.660 9.942 239 2HB CYS 36 2HB CYS 36 -2.696 5.454 9.214 240 H LYS 37 H LYS 37 -2.281 1.395 7.566 241 HA LYS 37 HA LYS 37 0.356 2.115 6.523 242 1HB LYS 37 1HB LYS 37 -1.688 0.127 5.444 243 2HB LYS 37 2HB LYS 37 0.012 0.255 4.981 244 1HG LYS 37 1HG LYS 37 0.639 -0.253 7.393 245 2HG LYS 37 2HG LYS 37 -1.082 -0.578 7.700 246 1HD LYS 37 1HD LYS 37 -0.988 -2.212 5.728 247 2HD LYS 37 2HD LYS 37 0.768 -2.004 5.750 248 1HE LYS 37 1HE LYS 37 0.914 -2.899 8.008 249 2HE LYS 37 2HE LYS 37 -0.847 -2.865 8.189 250 1HZ LYS 37 1HZ LYS 37 -0.070 -5.101 7.654 251 2HZ LYS 37 2HZ LYS 37 -1.027 -4.534 6.451 252 3HZ LYS 37 3HZ LYS 37 0.602 -4.590 6.255 253 H VAL 38 H VAL 38 -2.965 2.580 5.310 254 HA VAL 38 HA VAL 38 -2.341 3.366 2.642 255 HB VAL 38 HB VAL 38 -4.627 4.307 4.425 256 1HG1 VAL 38 1HG1 VAL 38 -4.446 5.887 2.588 257 2HG1 VAL 38 2HG1 VAL 38 -4.230 4.566 1.417 258 3HG1 VAL 38 3HG1 VAL 38 -5.782 4.796 2.250 259 1HG2 VAL 38 1HG2 VAL 38 -5.920 2.622 3.093 260 2HG2 VAL 38 2HG2 VAL 38 -4.404 2.090 2.343 261 3HG2 VAL 38 3HG2 VAL 38 -4.658 1.894 4.089 262 H CYS 39 H CYS 39 -2.426 5.304 5.629 263 HA CYS 39 HA CYS 39 -1.398 7.700 4.213 264 1HB CYS 39 1HB CYS 39 -2.474 7.271 7.010 265 2HB CYS 39 2HB CYS 39 -2.086 8.814 6.257 266 H SER 40 H SER 40 -0.037 5.031 5.428 267 HA SER 40 HA SER 40 1.706 4.372 6.683 268 1HB SER 40 1HB SER 40 2.474 4.878 4.352 269 2HB SER 40 2HB SER 40 3.111 6.429 4.922 270 HG SER 40 HG SER 40 4.538 5.313 6.257 271 H ALA 41 H ALA 41 0.523 5.632 8.450 272 HA ALA 41 HA ALA 41 2.514 7.316 9.921 273 1HB ALA 41 1HB ALA 41 0.904 8.823 8.822 274 2HB ALA 41 2HB ALA 41 -0.450 7.939 9.565 275 3HB ALA 41 3HB ALA 41 0.689 8.845 10.582 276 H VAL 42 H VAL 42 2.535 7.176 12.092 277 HA VAL 42 HA VAL 42 1.248 4.821 13.335 278 HB VAL 42 HB VAL 42 3.375 6.765 14.354 279 1HG1 VAL 42 1HG1 VAL 42 2.233 5.764 16.291 280 2HG1 VAL 42 2HG1 VAL 42 2.415 4.140 15.582 281 3HG1 VAL 42 3HG1 VAL 42 3.836 5.067 16.105 282 1HG2 VAL 42 1HG2 VAL 42 4.923 4.854 14.020 283 2HG2 VAL 42 2HG2 VAL 42 3.595 3.894 13.335 284 3HG2 VAL 42 3HG2 VAL 42 4.188 5.344 12.495 285 H LEU 43 H LEU 43 0.010 4.914 15.155 286 HA LEU 43 HA LEU 43 -1.412 7.463 15.809 287 1HB LEU 43 1HB LEU 43 -2.566 4.657 15.574 288 2HB LEU 43 2HB LEU 43 -3.457 6.125 15.918 289 HG LEU 43 HG LEU 43 -1.975 5.579 13.298 290 1HD1 LEU 43 1HD1 LEU 43 -4.133 5.173 12.303 291 2HD1 LEU 43 2HD1 LEU 43 -3.845 4.023 13.618 292 3HD1 LEU 43 3HD1 LEU 43 -4.944 5.393 13.859 293 1HD2 LEU 43 1HD2 LEU 43 -3.282 7.460 12.436 294 2HD2 LEU 43 2HD2 LEU 43 -3.975 7.750 14.051 295 3HD2 LEU 43 3HD2 LEU 43 -2.243 7.991 13.757 296 H ILE 44 H ILE 44 0.247 7.637 17.392 297 HA ILE 44 HA ILE 44 0.968 5.851 19.380 298 HB ILE 44 HB ILE 44 1.836 7.786 20.609 299 1HG1 ILE 44 1HG1 ILE 44 0.407 9.523 18.538 300 2HG1 ILE 44 2HG1 ILE 44 -0.079 9.344 20.225 301 1HG2 ILE 44 1HG2 ILE 44 3.004 6.792 18.625 302 2HG2 ILE 44 2HG2 ILE 44 2.320 8.086 17.614 303 3HG2 ILE 44 3HG2 ILE 44 3.430 8.472 18.941 304 1HD1 ILE 44 1HD1 ILE 44 2.513 10.584 19.231 305 2HD1 ILE 44 2HD1 ILE 44 1.140 11.404 19.987 306 3HD1 ILE 44 3HD1 ILE 44 2.126 10.279 20.942 307 H SER 45 H SER 45 -2.121 7.352 19.347 308 HA SER 45 HA SER 45 -2.799 6.144 21.925 309 1HB SER 45 1HB SER 45 -1.908 8.439 22.516 310 2HB SER 45 2HB SER 45 -3.215 9.138 21.539 311 HG SER 45 HG SER 45 -3.744 8.957 23.787 312 H GLU 46 H GLU 46 -5.140 6.187 22.302 313 HA GLU 46 HA GLU 46 -6.686 5.573 19.981 314 1HB GLU 46 1HB GLU 46 -7.112 4.657 22.192 315 2HB GLU 46 2HB GLU 46 -7.598 6.245 22.804 316 1HG GLU 46 1HG GLU 46 -9.585 6.268 21.525 317 2HG GLU 46 2HG GLU 46 -8.980 5.074 20.377 318 H SER 47 H SER 47 -6.396 8.691 21.763 319 HA SER 47 HA SER 47 -8.542 10.006 20.373 320 1HB SER 47 1HB SER 47 -7.350 12.098 21.035 321 2HB SER 47 2HB SER 47 -7.702 10.984 22.368 322 HG SER 47 HG SER 47 -5.553 11.771 22.484 323 H GLN 48 H GLN 48 -5.083 9.616 19.591 324 HA GLN 48 HA GLN 48 -5.172 11.188 17.143 325 1HB GLN 48 1HB GLN 48 -3.197 9.296 18.431 326 2HB GLN 48 2HB GLN 48 -3.064 9.589 16.701 327 1HG GLN 48 1HG GLN 48 -1.623 11.116 17.924 328 2HG GLN 48 2HG GLN 48 -2.862 11.986 17.030 329 1HE2 GLN 48 1HE2 GLN 48 -1.826 11.000 20.322 330 2HE2 GLN 48 2HE2 GLN 48 -2.837 12.187 21.134 331 H LYS 49 H LYS 49 -5.552 7.684 17.865 332 HA LYS 49 HA LYS 49 -5.844 6.866 15.133 333 1HB LYS 49 1HB LYS 49 -5.836 4.843 16.075 334 2HB LYS 49 2HB LYS 49 -5.789 5.606 17.651 335 1HG LYS 49 1HG LYS 49 -8.295 5.543 17.717 336 2HG LYS 49 2HG LYS 49 -8.279 4.669 16.177 337 1HD LYS 49 1HD LYS 49 -7.043 2.815 17.260 338 2HD LYS 49 2HD LYS 49 -6.990 3.730 18.782 339 1HE LYS 49 1HE LYS 49 -9.558 3.887 18.587 340 2HE LYS 49 2HE LYS 49 -9.427 2.652 17.318 341 1HZ LYS 49 1HZ LYS 49 -8.129 1.378 19.194 342 2HZ LYS 49 2HZ LYS 49 -8.921 2.397 20.215 343 3HZ LYS 49 3HZ LYS 49 -9.770 1.414 19.247 344 H LEU 50 H LEU 50 -8.303 7.833 17.493 345 HA LEU 50 HA LEU 50 -10.573 7.554 15.773 346 1HB LEU 50 1HB LEU 50 -10.016 9.305 18.208 347 2HB LEU 50 2HB LEU 50 -11.589 9.258 17.415 348 HG LEU 50 HG LEU 50 -10.238 6.777 18.572 349 1HD1 LEU 50 1HD1 LEU 50 -10.746 8.443 20.333 350 2HD1 LEU 50 2HD1 LEU 50 -12.433 8.511 19.759 351 3HD1 LEU 50 3HD1 LEU 50 -11.768 7.002 20.438 352 1HD2 LEU 50 1HD2 LEU 50 -13.099 7.287 17.669 353 2HD2 LEU 50 2HD2 LEU 50 -11.907 6.210 16.901 354 3HD2 LEU 50 3HD2 LEU 50 -12.512 5.828 18.506 355 H ALA 51 H ALA 51 -8.600 10.511 16.475 356 HA ALA 51 HA ALA 51 -10.006 12.172 14.643 357 1HB ALA 51 1HB ALA 51 -7.102 12.309 15.586 358 2HB ALA 51 2HB ALA 51 -8.017 13.637 14.839 359 3HB ALA 51 3HB ALA 51 -8.505 13.010 16.426 360 H HIS 52 H HIS 52 -7.184 10.021 14.057 361 HA HIS 52 HA HIS 52 -6.754 10.907 11.361 362 1HB HIS 52 1HB HIS 52 -5.112 9.702 12.803 363 2HB HIS 52 2HB HIS 52 -6.067 8.225 12.631 364 HD1 HIS 52 HD1 HIS 52 -3.389 10.196 10.907 365 HD2 HIS 52 HD2 HIS 52 -6.313 7.327 9.921 366 HE1 HIS 52 HE1 HIS 52 -2.776 9.296 8.590 367 H TYR 53 H TYR 53 -8.533 7.984 12.617 368 HA TYR 53 HA TYR 53 -9.316 7.174 9.966 369 1HB TYR 53 1HB TYR 53 -10.356 6.386 12.705 370 2HB TYR 53 2HB TYR 53 -10.896 5.646 11.203 371 HD1 TYR 53 HD1 TYR 53 -8.748 5.038 9.561 372 HD2 TYR 53 HD2 TYR 53 -8.797 5.005 13.860 373 HE1 TYR 53 HE1 TYR 53 -6.778 3.512 9.571 374 HE2 TYR 53 HE2 TYR 53 -6.848 3.462 13.873 375 HH TYR 53 HH TYR 53 -5.370 2.310 12.634 376 H GLN 54 H GLN 54 -10.822 9.449 12.196 377 HA GLN 54 HA GLN 54 -13.309 9.569 10.595 378 1HB GLN 54 1HB GLN 54 -12.367 11.178 12.998 379 2HB GLN 54 2HB GLN 54 -13.951 11.313 12.222 380 1HG GLN 54 1HG GLN 54 -14.426 8.925 12.756 381 2HG GLN 54 2HG GLN 54 -12.886 8.782 13.553 382 1HE2 GLN 54 1HE2 GLN 54 -14.457 8.067 15.357 383 2HE2 GLN 54 2HE2 GLN 54 -15.049 9.365 16.385 384 H SER 55 H SER 55 -10.209 10.945 10.264 385 HA SER 55 HA SER 55 -10.841 13.586 9.405 386 1HB SER 55 1HB SER 55 -8.581 12.918 10.021 387 2HB SER 55 2HB SER 55 -8.504 11.798 8.644 388 HG SER 55 HG SER 55 -7.564 13.998 8.383 389 H ARG 56 H ARG 56 -11.291 14.508 7.510 390 HA ARG 56 HA ARG 56 -12.473 13.039 5.326 391 1HB ARG 56 1HB ARG 56 -13.054 15.376 6.059 392 2HB ARG 56 2HB ARG 56 -11.497 15.930 5.443 393 1HG ARG 56 1HG ARG 56 -13.178 16.488 3.834 394 2HG ARG 56 2HG ARG 56 -12.215 15.185 3.149 395 1HD ARG 56 1HD ARG 56 -14.531 14.706 2.679 396 2HD ARG 56 2HD ARG 56 -13.979 13.558 3.888 397 HE ARG 56 HE ARG 56 -15.376 14.509 5.498 398 1HH1 ARG 56 1HH1 ARG 56 -15.548 16.525 2.631 399 2HH1 ARG 56 2HH1 ARG 56 -16.927 17.404 3.230 400 1HH2 ARG 56 1HH2 ARG 56 -17.115 15.693 6.201 401 2HH2 ARG 56 2HH2 ARG 56 -17.785 16.937 5.190 402 H LYS 57 H LYS 57 -9.208 14.191 5.936 403 HA LYS 57 HA LYS 57 -8.177 13.838 3.247 404 1HB LYS 57 1HB LYS 57 -7.102 15.255 5.008 405 2HB LYS 57 2HB LYS 57 -6.756 13.815 5.951 406 1HG LYS 57 1HG LYS 57 -4.761 14.543 4.791 407 2HG LYS 57 2HG LYS 57 -5.253 12.961 4.211 408 1HD LYS 57 1HD LYS 57 -4.467 14.345 2.376 409 2HD LYS 57 2HD LYS 57 -6.178 13.983 2.148 410 1HE LYS 57 1HE LYS 57 -6.783 16.226 3.024 411 2HE LYS 57 2HE LYS 57 -5.080 16.567 3.354 412 1HZ LYS 57 1HZ LYS 57 -5.786 17.547 1.249 413 2HZ LYS 57 2HZ LYS 57 -4.648 16.416 0.962 414 3HZ LYS 57 3HZ LYS 57 -6.220 16.095 0.648 415 H HIS 58 H HIS 58 -8.246 11.734 6.134 416 HA HIS 58 HA HIS 58 -6.882 9.470 5.002 417 1HB HIS 58 1HB HIS 58 -7.191 9.634 7.383 418 2HB HIS 58 2HB HIS 58 -8.942 9.740 7.222 419 HD2 HIS 58 HD2 HIS 58 -10.327 7.502 6.795 420 HE1 HIS 58 HE1 HIS 58 -7.104 4.755 7.257 421 HE2 HIS 58 HE2 HIS 58 -9.630 4.972 7.052 422 H ALA 59 H ALA 59 -10.417 10.215 5.190 423 HA ALA 59 HA ALA 59 -11.303 7.921 3.779 424 1HB ALA 59 1HB ALA 59 -12.509 10.721 3.904 425 2HB ALA 59 2HB ALA 59 -13.361 9.241 3.414 426 3HB ALA 59 3HB ALA 59 -12.766 9.406 5.075 427 H ASN 60 H ASN 60 -10.313 11.130 2.474 428 HA ASN 60 HA ASN 60 -10.886 10.475 -0.266 429 1HB ASN 60 1HB ASN 60 -9.316 12.640 1.147 430 2HB ASN 60 2HB ASN 60 -9.066 12.411 -0.576 431 1HD2 ASN 60 1HD2 ASN 60 -11.444 13.353 1.844 432 2HD2 ASN 60 2HD2 ASN 60 -12.595 13.993 0.660 433 H LYS 61 H LYS 61 -7.858 10.037 1.659 434 HA LYS 61 HA LYS 61 -6.340 9.099 -0.599 435 1HB LYS 61 1HB LYS 61 -5.549 10.039 1.714 436 2HB LYS 61 2HB LYS 61 -5.760 8.377 2.304 437 1HG LYS 61 1HG LYS 61 -4.252 7.580 0.505 438 2HG LYS 61 2HG LYS 61 -4.122 9.247 -0.103 439 1HD LYS 61 1HD LYS 61 -3.066 9.949 2.044 440 2HD LYS 61 2HD LYS 61 -3.244 8.298 2.653 441 1HE LYS 61 1HE LYS 61 -0.989 8.501 1.952 442 2HE LYS 61 2HE LYS 61 -1.818 7.466 0.789 443 1HZ LYS 61 1HZ LYS 61 -0.393 9.123 -0.301 444 2HZ LYS 61 2HZ LYS 61 -1.945 9.385 -0.721 445 3HZ LYS 61 3HZ LYS 61 -1.214 10.356 0.378 446 H VAL 62 H VAL 62 -8.260 7.432 1.914 447 HA VAL 62 HA VAL 62 -7.694 4.742 1.098 448 HB VAL 62 HB VAL 62 -10.059 5.976 2.542 449 1HG1 VAL 62 1HG1 VAL 62 -10.667 3.658 3.231 450 2HG1 VAL 62 2HG1 VAL 62 -10.927 3.923 1.509 451 3HG1 VAL 62 3HG1 VAL 62 -9.498 3.013 2.056 452 1HG2 VAL 62 1HG2 VAL 62 -7.792 5.893 3.689 453 2HG2 VAL 62 2HG2 VAL 62 -9.050 4.951 4.489 454 3HG2 VAL 62 3HG2 VAL 62 -7.818 4.135 3.500 455 H ARG 63 H ARG 63 -10.235 7.021 -0.081 456 HA ARG 63 HA ARG 63 -11.546 5.188 -1.834 457 1HB ARG 63 1HB ARG 63 -12.373 7.430 -1.212 458 2HB ARG 63 2HB ARG 63 -11.101 8.186 -2.183 459 1HG ARG 63 1HG ARG 63 -12.029 7.224 -4.237 460 2HG ARG 63 2HG ARG 63 -13.210 6.279 -3.300 461 1HD ARG 63 1HD ARG 63 -14.235 8.345 -2.470 462 2HD ARG 63 2HD ARG 63 -13.045 9.318 -3.364 463 HE ARG 63 HE ARG 63 -14.302 7.605 -5.232 464 1HH1 ARG 63 1HH1 ARG 63 -15.292 10.305 -3.228 465 2HH1 ARG 63 2HH1 ARG 63 -16.556 10.775 -4.329 466 1HH2 ARG 63 1HH2 ARG 63 -15.934 8.260 -6.590 467 2HH2 ARG 63 2HH2 ARG 63 -16.905 9.643 -6.181 468 H ARG 64 H ARG 64 -8.661 7.180 -2.427 469 HA ARG 64 HA ARG 64 -8.233 6.253 -5.174 470 1HB ARG 64 1HB ARG 64 -6.844 8.026 -3.217 471 2HB ARG 64 2HB ARG 64 -5.755 7.105 -4.236 472 1HG ARG 64 1HG ARG 64 -6.302 9.330 -5.172 473 2HG ARG 64 2HG ARG 64 -6.653 7.986 -6.250 474 1HD ARG 64 1HD ARG 64 -8.362 9.704 -6.389 475 2HD ARG 64 2HD ARG 64 -9.055 8.186 -5.818 476 HE ARG 64 HE ARG 64 -8.527 9.464 -3.462 477 1HH1 ARG 64 1HH1 ARG 64 -10.257 10.642 -6.292 478 2HH1 ARG 64 2HH1 ARG 64 -11.247 11.702 -5.327 479 1HH2 ARG 64 1HH2 ARG 64 -9.803 10.722 -2.358 480 2HH2 ARG 64 2HH2 ARG 64 -10.950 11.815 -3.106 481 H TYR 65 H TYR 65 -6.824 5.278 -2.033 482 HA TYR 65 HA TYR 65 -5.094 3.270 -3.042 483 1HB TYR 65 1HB TYR 65 -5.152 4.227 -0.728 484 2HB TYR 65 2HB TYR 65 -6.596 3.283 -0.393 485 HD1 TYR 65 HD1 TYR 65 -2.954 3.237 -0.733 486 HD2 TYR 65 HD2 TYR 65 -6.469 0.767 -0.305 487 HE1 TYR 65 HE1 TYR 65 -1.525 1.310 -0.056 488 HE2 TYR 65 HE2 TYR 65 -5.038 -1.159 0.346 489 HH TYR 65 HH TYR 65 -2.896 -1.908 0.711 490 H MET 66 H MET 66 -8.537 3.000 -2.052 491 HA MET 66 HA MET 66 -8.852 0.208 -2.545 492 1HB MET 66 1HB MET 66 -10.795 2.553 -2.485 493 2HB MET 66 2HB MET 66 -11.329 0.894 -2.791 494 1HG MET 66 1HG MET 66 -9.730 1.730 -0.350 495 2HG MET 66 2HG MET 66 -11.484 1.604 -0.383 496 1HE MET 66 1HE MET 66 -9.268 -1.441 1.495 497 2HE MET 66 2HE MET 66 -8.463 -0.009 0.813 498 3HE MET 66 3HE MET 66 -9.918 0.181 1.826 499 H ALA 67 H ALA 67 -9.266 3.033 -4.744 500 HA ALA 67 HA ALA 67 -10.190 1.513 -7.000 501 1HB ALA 67 1HB ALA 67 -10.500 3.954 -6.748 502 2HB ALA 67 2HB ALA 67 -8.745 4.200 -6.896 503 3HB ALA 67 3HB ALA 67 -9.671 3.553 -8.263 504 H ILE 68 H ILE 68 -6.899 2.456 -5.926 505 HA ILE 68 HA ILE 68 -5.481 1.365 -8.203 506 HB ILE 68 HB ILE 68 -4.640 2.031 -5.356 507 1HG1 ILE 68 1HG1 ILE 68 -3.958 3.456 -7.968 508 2HG1 ILE 68 2HG1 ILE 68 -5.360 3.884 -7.005 509 1HG2 ILE 68 1HG2 ILE 68 -2.859 1.214 -7.698 510 2HG2 ILE 68 2HG2 ILE 68 -2.280 1.875 -6.156 511 3HG2 ILE 68 3HG2 ILE 68 -3.079 0.316 -6.178 512 1HD1 ILE 68 1HD1 ILE 68 -3.603 5.413 -6.461 513 2HD1 ILE 68 2HD1 ILE 68 -3.879 4.373 -5.053 514 3HD1 ILE 68 3HD1 ILE 68 -2.467 4.106 -6.105 515 H ASN 69 H ASN 69 -6.422 0.021 -5.041 516 HA ASN 69 HA ASN 69 -5.207 -2.578 -5.482 517 1HB ASN 69 1HB ASN 69 -5.492 -1.356 -3.273 518 2HB ASN 69 2HB ASN 69 -7.223 -1.664 -3.386 519 1HD2 ASN 69 1HD2 ASN 69 -7.673 -3.264 -1.890 520 2HD2 ASN 69 2HD2 ASN 69 -6.702 -4.715 -1.689 521 H GLN 70 H GLN 70 -7.829 -1.385 -7.061 522 HA GLN 70 HA GLN 70 -9.794 -3.454 -6.722 523 1HB GLN 70 1HB GLN 70 -10.210 -1.084 -7.416 524 2HB GLN 70 2HB GLN 70 -9.531 -1.464 -9.003 525 1HG GLN 70 1HG GLN 70 -11.311 -3.199 -9.310 526 2HG GLN 70 2HG GLN 70 -11.952 -2.809 -7.713 527 1HE2 GLN 70 1HE2 GLN 70 -11.971 -1.902 -11.082 528 2HE2 GLN 70 2HE2 GLN 70 -12.982 -0.478 -10.876 529 H GLY 71 H GLY 71 -8.409 -5.329 -6.927 530 1HA GLY 71 1HA GLY 71 -8.580 -6.581 -9.556 531 2HA GLY 71 2HA GLY 71 -6.919 -6.285 -9.032 532 H GLU 72 H GLU 72 -7.526 -8.824 -9.468 533 HA GLU 72 HA GLU 72 -7.559 -10.086 -6.777 534 1HB GLU 72 1HB GLU 72 -9.254 -11.705 -7.409 535 2HB GLU 72 2HB GLU 72 -9.892 -10.074 -7.516 536 1HG GLU 72 1HG GLU 72 -9.597 -10.106 -9.991 537 2HG GLU 72 2HG GLU 72 -8.950 -11.743 -9.894 538 H ASP 73 H ASP 73 -5.628 -9.691 -9.207 539 HA ASP 73 HA ASP 73 -4.460 -12.403 -9.066 540 1HB ASP 73 1HB ASP 73 -4.229 -12.618 -11.452 541 2HB ASP 73 2HB ASP 73 -5.928 -12.417 -11.064 542 H SER 74 H SER 74 -2.296 -12.549 -9.782 543 HA SER 74 HA SER 74 -0.699 -10.053 -10.092 544 1HB SER 74 1HB SER 74 -0.052 -12.216 -8.046 545 2HB SER 74 2HB SER 74 0.870 -10.737 -8.351 546 HG SER 74 HG SER 74 -1.032 -9.555 -7.679 547 H VAL 75 H VAL 75 -1.466 -12.681 -11.628 548 HA VAL 75 HA VAL 75 1.182 -13.187 -12.850 549 HB VAL 75 HB VAL 75 0.634 -15.666 -12.895 550 1HG1 VAL 75 1HG1 VAL 75 1.129 -14.557 -10.112 551 2HG1 VAL 75 2HG1 VAL 75 1.573 -16.157 -10.731 552 3HG1 VAL 75 3HG1 VAL 75 2.354 -14.711 -11.389 553 1HG2 VAL 75 1HG2 VAL 75 -1.285 -15.041 -10.619 554 2HG2 VAL 75 2HG2 VAL 75 -1.761 -15.568 -12.250 555 3HG2 VAL 75 3HG2 VAL 75 -0.806 -16.637 -11.215 556 HA PRO 76 HA PRO 76 -1.256 -13.006 -16.527 557 1HB PRO 76 1HB PRO 76 0.078 -14.579 -18.334 558 2HB PRO 76 2HB PRO 76 0.708 -13.020 -17.724 559 1HG PRO 76 1HG PRO 76 1.370 -15.809 -16.727 560 2HG PRO 76 2HG PRO 76 2.505 -14.488 -17.153 561 1HD PRO 76 1HD PRO 76 1.775 -14.952 -14.587 562 2HD PRO 76 2HD PRO 76 1.988 -13.285 -15.188 563 H ALA 77 H ALA 77 -0.814 -16.163 -15.078 564 HA ALA 77 HA ALA 77 -2.770 -17.562 -16.736 565 1HB ALA 77 1HB ALA 77 -1.398 -18.290 -14.109 566 2HB ALA 77 2HB ALA 77 -2.337 -19.401 -15.128 567 3HB ALA 77 3HB ALA 77 -0.825 -18.707 -15.739 568 H LYS 78 H LYS 78 -4.733 -18.506 -15.913 569 HA LYS 78 HA LYS 78 -6.076 -17.038 -13.656 570 1HB LYS 78 1HB LYS 78 -7.294 -17.724 -16.368 571 2HB LYS 78 2HB LYS 78 -8.178 -17.135 -14.970 572 1HG LYS 78 1HG LYS 78 -7.934 -15.171 -16.052 573 2HG LYS 78 2HG LYS 78 -6.495 -15.111 -15.034 574 1HD LYS 78 1HD LYS 78 -5.153 -15.955 -17.008 575 2HD LYS 78 2HD LYS 78 -6.631 -15.929 -17.982 576 1HE LYS 78 1HE LYS 78 -6.850 -13.512 -17.663 577 2HE LYS 78 2HE LYS 78 -5.497 -13.505 -16.520 578 1HZ LYS 78 1HZ LYS 78 -5.263 -14.219 -19.393 579 2HZ LYS 78 2HZ LYS 78 -4.775 -12.808 -18.729 580 3HZ LYS 78 3HZ LYS 78 -4.032 -14.206 -18.308 581 H LYS 79 H LYS 79 -5.314 -20.115 -14.899 582 HA LYS 79 HA LYS 79 -6.752 -21.456 -12.732 583 1HB LYS 79 1HB LYS 79 -8.392 -21.254 -14.654 584 2HB LYS 79 2HB LYS 79 -7.321 -22.254 -15.632 585 1HG LYS 79 1HG LYS 79 -7.631 -24.150 -14.156 586 2HG LYS 79 2HG LYS 79 -8.461 -23.164 -12.947 587 1HD LYS 79 1HD LYS 79 -9.522 -23.702 -15.757 588 2HD LYS 79 2HD LYS 79 -9.957 -24.637 -14.316 589 1HE LYS 79 1HE LYS 79 -10.813 -22.558 -13.230 590 2HE LYS 79 2HE LYS 79 -10.449 -21.648 -14.699 591 1HZ LYS 79 1HZ LYS 79 -12.771 -22.336 -14.640 592 2HZ LYS 79 2HZ LYS 79 -12.031 -23.068 -15.894 593 3HZ LYS 79 3HZ LYS 79 -12.368 -23.911 -14.532 594 H PHE 80 H PHE 80 -5.984 -23.599 -12.373 595 HA PHE 80 HA PHE 80 -3.438 -24.366 -13.745 596 1HB PHE 80 1HB PHE 80 -3.885 -24.232 -10.740 597 2HB PHE 80 2HB PHE 80 -2.413 -24.749 -11.553 598 HD1 PHE 80 HD1 PHE 80 -1.091 -23.084 -12.954 599 HD2 PHE 80 HD2 PHE 80 -4.285 -21.895 -10.308 600 HE1 PHE 80 HE1 PHE 80 -0.240 -20.749 -12.971 601 HE2 PHE 80 HE2 PHE 80 -3.434 -19.560 -10.334 602 HZ PHE 80 HZ PHE 80 -1.410 -18.987 -11.660 603 H LYS 81 H LYS 81 -6.100 -25.500 -14.076 604 HA LYS 81 HA LYS 81 -6.487 -27.927 -12.655 605 1HB LYS 81 1HB LYS 81 -8.022 -28.542 -14.429 606 2HB LYS 81 2HB LYS 81 -8.236 -26.852 -13.988 607 1HG LYS 81 1HG LYS 81 -6.975 -26.146 -16.008 608 2HG LYS 81 2HG LYS 81 -6.698 -27.845 -16.436 609 1HD LYS 81 1HD LYS 81 -9.143 -28.204 -16.628 610 2HD LYS 81 2HD LYS 81 -9.425 -26.495 -16.225 611 1HE LYS 81 1HE LYS 81 -8.121 -25.802 -18.216 612 2HE LYS 81 2HE LYS 81 -7.785 -27.495 -18.600 613 1HZ LYS 81 1HZ LYS 81 -10.178 -27.835 -18.915 614 2HZ LYS 81 2HZ LYS 81 -10.496 -26.271 -18.561 615 3HZ LYS 81 3HZ LYS 81 -9.649 -26.650 -19.903 616 H ALA 82 H ALA 82 -6.231 -30.102 -13.245 617 HA ALA 82 HA ALA 82 -4.122 -30.810 -15.212 618 1HB ALA 82 1HB ALA 82 -2.819 -31.986 -13.487 619 2HB ALA 82 2HB ALA 82 -2.985 -30.275 -13.066 620 3HB ALA 82 3HB ALA 82 -3.985 -31.492 -12.238 621 H ALA 83 H ALA 83 -7.073 -31.345 -15.036 622 HA ALA 83 HA ALA 83 -7.642 -33.978 -14.239 623 1HB ALA 83 1HB ALA 83 -9.340 -32.276 -14.731 624 2HB ALA 83 2HB ALA 83 -8.896 -32.302 -16.455 625 3HB ALA 83 3HB ALA 83 -9.627 -33.733 -15.700 626 HA PRO 84 HA PRO 84 -5.614 -36.459 -17.348 627 1HB PRO 84 1HB PRO 84 -6.890 -38.859 -17.085 628 2HB PRO 84 2HB PRO 84 -5.837 -38.176 -15.809 629 1HG PRO 84 1HG PRO 84 -8.863 -38.014 -16.005 630 2HG PRO 84 2HG PRO 84 -7.872 -38.515 -14.596 631 1HD PRO 84 1HD PRO 84 -8.827 -35.972 -14.869 632 2HD PRO 84 2HD PRO 84 -7.222 -36.297 -14.146 633 H ALA 85 H ALA 85 -5.857 -37.476 -19.377 634 HA ALA 85 HA ALA 85 -8.463 -37.446 -20.774 635 1HB ALA 85 1HB ALA 85 -7.589 -36.009 -22.578 636 2HB ALA 85 2HB ALA 85 -7.525 -35.155 -21.030 637 3HB ALA 85 3HB ALA 85 -6.040 -35.845 -21.723 638 H GLU 86 H GLU 86 -6.181 -39.420 -19.954 639 HA GLU 86 HA GLU 86 -4.989 -40.428 -22.374 640 1HB GLU 86 1HB GLU 86 -5.440 -41.732 -19.655 641 2HB GLU 86 2HB GLU 86 -4.432 -42.394 -20.947 642 1HG GLU 86 1HG GLU 86 -3.002 -40.354 -20.874 643 2HG GLU 86 2HG GLU 86 -3.961 -39.736 -19.527 644 H ILE 87 H ILE 87 -5.328 -42.462 -23.409 645 HA ILE 87 HA ILE 87 -8.085 -43.063 -24.052 646 HB ILE 87 HB ILE 87 -5.574 -44.647 -24.727 647 1HG1 ILE 87 1HG1 ILE 87 -5.205 -42.407 -25.549 648 2HG1 ILE 87 2HG1 ILE 87 -5.543 -43.475 -26.890 649 1HG2 ILE 87 1HG2 ILE 87 -7.558 -45.971 -25.166 650 2HG2 ILE 87 2HG2 ILE 87 -8.344 -44.622 -26.008 651 3HG2 ILE 87 3HG2 ILE 87 -6.913 -45.410 -26.704 652 1HD1 ILE 87 1HD1 ILE 87 -7.516 -41.484 -25.675 653 2HD1 ILE 87 2HD1 ILE 87 -6.637 -41.311 -27.201 654 3HD1 ILE 87 3HD1 ILE 87 -7.865 -42.575 -27.039 655 H SER 88 H SER 88 -9.373 -44.741 -23.424 656 HA SER 88 HA SER 88 -9.023 -45.941 -20.862 657 1HB SER 88 1HB SER 88 -11.212 -45.490 -21.833 658 2HB SER 88 2HB SER 88 -10.889 -46.624 -23.160 659 HG SER 88 HG SER 88 -12.172 -47.463 -21.359 660 H ASP 89 H ASP 89 -8.567 -47.994 -20.190 661 HA ASP 89 HA ASP 89 -6.786 -49.684 -21.697 662 1HB ASP 89 1HB ASP 89 -6.841 -51.127 -19.770 663 2HB ASP 89 2HB ASP 89 -6.712 -49.458 -19.242 664 H GLY 90 H GLY 90 -10.094 -49.322 -21.947 665 1HA GLY 90 1HA GLY 90 -10.622 -52.064 -23.018 666 2HA GLY 90 2HA GLY 90 -11.837 -50.910 -22.458 667 H GLU 91 H GLU 91 -9.477 -49.234 -24.210 668 HA GLU 91 HA GLU 91 -10.892 -49.541 -26.838 669 1HB GLU 91 1HB GLU 91 -10.137 -46.938 -25.452 670 2HB GLU 91 2HB GLU 91 -10.674 -47.081 -27.129 671 1HG GLU 91 1HG GLU 91 -12.820 -48.102 -26.333 672 2HG GLU 91 2HG GLU 91 -12.322 -47.794 -24.668 673 H ASP 92 H ASP 92 -7.798 -48.869 -25.191 674 HA ASP 92 HA ASP 92 -6.375 -48.268 -27.635 675 1HB ASP 92 1HB ASP 92 -4.440 -48.218 -26.353 676 2HB ASP 92 2HB ASP 92 -5.695 -47.586 -25.300 677 H ARG 93 H ARG 93 -7.403 -51.226 -26.250 678 HA ARG 93 HA ARG 93 -5.443 -53.068 -27.158 679 1HB ARG 93 1HB ARG 93 -8.384 -53.655 -26.635 680 2HB ARG 93 2HB ARG 93 -7.030 -54.794 -26.607 681 1HG ARG 93 1HG ARG 93 -6.044 -53.215 -24.755 682 2HG ARG 93 2HG ARG 93 -7.701 -52.609 -24.621 683 1HD ARG 93 1HD ARG 93 -6.747 -55.476 -24.247 684 2HD ARG 93 2HD ARG 93 -7.209 -54.367 -22.967 685 HE ARG 93 HE ARG 93 -9.024 -55.684 -24.949 686 1HH1 ARG 93 1HH1 ARG 93 -8.908 -53.669 -22.078 687 2HH1 ARG 93 2HH1 ARG 93 -10.403 -54.325 -21.461 688 1HH2 ARG 93 1HH2 ARG 93 -11.018 -56.291 -24.210 689 2HH2 ARG 93 2HH2 ARG 93 -11.617 -55.662 -22.704 690 H SER 94 H SER 94 -7.259 -51.299 -29.201 691 HA SER 94 HA SER 94 -6.850 -53.207 -31.459 692 1HB SER 94 1HB SER 94 -8.976 -52.557 -32.447 693 2HB SER 94 2HB SER 94 -9.226 -53.263 -30.847 694 HG SER 94 HG SER 94 -10.455 -51.472 -30.845 695 H LYS 95 H LYS 95 -5.547 -50.680 -30.232 696 HA LYS 95 HA LYS 95 -5.320 -49.048 -32.757 697 1HB LYS 95 1HB LYS 95 -4.773 -48.153 -29.900 698 2HB LYS 95 2HB LYS 95 -4.807 -47.160 -31.344 699 1HG LYS 95 1HG LYS 95 -7.150 -48.528 -29.988 700 2HG LYS 95 2HG LYS 95 -6.801 -46.803 -29.977 701 1HD LYS 95 1HD LYS 95 -7.223 -46.677 -32.411 702 2HD LYS 95 2HD LYS 95 -7.570 -48.405 -32.466 703 1HE LYS 95 1HE LYS 95 -9.138 -46.313 -30.906 704 2HE LYS 95 2HE LYS 95 -9.631 -47.075 -32.421 705 1HZ LYS 95 1HZ LYS 95 -9.586 -49.252 -31.184 706 2HZ LYS 95 2HZ LYS 95 -9.301 -48.455 -29.803 707 3HZ LYS 95 3HZ LYS 95 -10.703 -48.200 -30.600 708 H CYS 96 H CYS 96 -3.618 -50.938 -30.444 709 HA CYS 96 HA CYS 96 -1.032 -50.402 -31.800 710 1HB CYS 96 1HB CYS 96 0.115 -50.228 -29.664 711 2HB CYS 96 2HB CYS 96 -1.158 -49.006 -29.761 712 HG CYS 96 HG CYS 96 -2.972 -50.365 -28.386 713 H CYS 97 H CYS 97 0.649 -51.950 -31.285 714 HA CYS 97 HA CYS 97 -0.202 -54.701 -30.549 715 1HB CYS 97 1HB CYS 97 -0.609 -54.537 -32.926 716 2HB CYS 97 2HB CYS 97 0.990 -53.852 -33.207 717 HA PRO 98 HA PRO 98 3.974 -53.542 -28.897 718 1HB PRO 98 1HB PRO 98 3.867 -54.929 -26.524 719 2HB PRO 98 2HB PRO 98 3.114 -53.324 -26.766 720 1HG PRO 98 1HG PRO 98 1.788 -56.045 -26.934 721 2HG PRO 98 2HG PRO 98 1.224 -54.591 -26.050 722 1HD PRO 98 1HD PRO 98 0.276 -55.247 -28.516 723 2HD PRO 98 2HD PRO 98 0.524 -53.539 -28.045 724 H VAL 99 H VAL 99 2.487 -56.639 -29.531 725 HA VAL 99 HA VAL 99 4.714 -58.422 -29.277 726 HB VAL 99 HB VAL 99 2.230 -58.428 -31.030 727 1HG1 VAL 99 1HG1 VAL 99 4.240 -60.687 -30.694 728 2HG1 VAL 99 2HG1 VAL 99 2.594 -60.882 -31.332 729 3HG1 VAL 99 3HG1 VAL 99 3.745 -59.884 -32.205 730 1HG2 VAL 99 1HG2 VAL 99 2.962 -59.999 -28.521 731 2HG2 VAL 99 2HG2 VAL 99 1.842 -58.621 -28.586 732 3HG2 VAL 99 3HG2 VAL 99 1.438 -60.122 -29.423 733 H CYS 100 H CYS 100 3.874 -56.087 -31.736 734 HA CYS 100 HA CYS 100 6.292 -56.772 -33.366 735 1HB CYS 100 1HB CYS 100 3.594 -55.666 -34.225 736 2HB CYS 100 2HB CYS 100 4.983 -55.933 -35.255 737 H ASN 101 H ASN 101 4.909 -54.478 -31.438 738 HA ASN 101 HA ASN 101 5.157 -52.353 -30.879 739 1HB ASN 101 1HB ASN 101 7.497 -53.131 -30.528 740 2HB ASN 101 2HB ASN 101 7.910 -52.577 -32.153 741 1HD2 ASN 101 1HD2 ASN 101 9.467 -51.062 -31.345 742 2HD2 ASN 101 2HD2 ASN 101 8.949 -49.610 -30.500 743 H MET 102 H MET 102 3.451 -52.364 -32.631 744 HA MET 102 HA MET 102 3.912 -50.018 -34.425 745 1HB MET 102 1HB MET 102 2.610 -52.639 -35.281 746 2HB MET 102 2HB MET 102 2.615 -51.145 -36.225 747 1HG MET 102 1HG MET 102 5.161 -51.212 -36.106 748 2HG MET 102 2HG MET 102 4.996 -52.868 -35.523 749 1HE MET 102 1HE MET 102 3.901 -54.851 -36.969 750 2HE MET 102 2HE MET 102 2.432 -53.902 -37.300 751 3HE MET 102 3HE MET 102 3.326 -54.651 -38.638 752 H THR 103 H THR 103 1.794 -49.237 -35.384 753 HA THR 103 HA THR 103 -0.534 -49.488 -33.555 754 HB THR 103 HB THR 103 -0.913 -47.038 -33.765 755 HG1 THR 103 HG1 THR 103 0.849 -45.767 -34.398 756 1HG2 THR 103 1HG2 THR 103 0.163 -47.985 -31.734 757 2HG2 THR 103 2HG2 THR 103 1.761 -47.711 -32.466 758 3HG2 THR 103 3HG2 THR 103 0.700 -46.336 -32.090 759 H PHE 104 H PHE 104 -2.544 -48.601 -34.461 760 HA PHE 104 HA PHE 104 -2.709 -48.927 -37.435 761 1HB PHE 104 1HB PHE 104 -4.767 -50.032 -35.511 762 2HB PHE 104 2HB PHE 104 -4.588 -50.350 -37.222 763 HD1 PHE 104 HD1 PHE 104 -2.323 -51.530 -37.964 764 HD2 PHE 104 HD2 PHE 104 -3.886 -51.547 -33.944 765 HE1 PHE 104 HE1 PHE 104 -0.966 -53.545 -37.440 766 HE2 PHE 104 HE2 PHE 104 -2.562 -53.573 -33.437 767 HZ PHE 104 HZ PHE 104 -1.083 -54.567 -35.181 768 H SER 105 H SER 105 -4.302 -47.821 -38.527 769 HA SER 105 HA SER 105 -5.276 -45.347 -37.337 770 1HB SER 105 1HB SER 105 -6.125 -44.957 -39.650 771 2HB SER 105 2HB SER 105 -4.398 -45.350 -39.585 772 HG SER 105 HG SER 105 -5.506 -46.529 -41.229 773 H SER 106 H SER 106 -6.659 -48.505 -37.706 774 HA SER 106 HA SER 106 -9.267 -47.589 -36.705 775 1HB SER 106 1HB SER 106 -9.654 -47.346 -39.059 776 2HB SER 106 2HB SER 106 -8.862 -48.887 -39.421 777 HG SER 106 HG SER 106 -11.214 -48.923 -39.431 778 HA PRO 107 HA PRO 107 -8.976 -51.485 -34.504 779 1HB PRO 107 1HB PRO 107 -11.953 -51.656 -35.007 780 2HB PRO 107 2HB PRO 107 -11.056 -51.930 -33.484 781 1HG PRO 107 1HG PRO 107 -12.357 -49.595 -33.890 782 2HG PRO 107 2HG PRO 107 -10.705 -49.583 -33.192 783 1HD PRO 107 1HD PRO 107 -11.537 -49.050 -36.048 784 2HD PRO 107 2HD PRO 107 -10.370 -48.166 -35.017 785 H VAL 108 H VAL 108 -10.840 -51.420 -37.566 786 HA VAL 108 HA VAL 108 -10.907 -54.265 -37.964 787 HB VAL 108 HB VAL 108 -10.921 -52.148 -40.148 788 1HG1 VAL 108 1HG1 VAL 108 -12.048 -54.982 -39.974 789 2HG1 VAL 108 2HG1 VAL 108 -12.314 -53.859 -41.329 790 3HG1 VAL 108 3HG1 VAL 108 -10.688 -54.456 -40.989 791 1HG2 VAL 108 1HG2 VAL 108 -13.409 -52.262 -39.967 792 2HG2 VAL 108 2HG2 VAL 108 -13.242 -53.244 -38.494 793 3HG2 VAL 108 3HG2 VAL 108 -12.674 -51.559 -38.528 794 H VAL 109 H VAL 109 -8.472 -51.805 -38.809 795 HA VAL 109 HA VAL 109 -6.765 -53.545 -40.373 796 HB VAL 109 HB VAL 109 -6.030 -51.038 -38.806 797 1HG1 VAL 109 1HG1 VAL 109 -4.137 -50.878 -40.387 798 2HG1 VAL 109 2HG1 VAL 109 -4.034 -52.359 -39.434 799 3HG1 VAL 109 3HG1 VAL 109 -4.602 -52.432 -41.112 800 1HG2 VAL 109 1HG2 VAL 109 -7.788 -50.574 -40.501 801 2HG2 VAL 109 2HG2 VAL 109 -6.241 -49.866 -40.967 802 3HG2 VAL 109 3HG2 VAL 109 -6.798 -51.366 -41.741 803 H ALA 110 H ALA 110 -6.982 -52.756 -36.890 804 HA ALA 110 HA ALA 110 -4.685 -54.234 -36.034 805 1HB ALA 110 1HB ALA 110 -5.600 -54.007 -33.842 806 2HB ALA 110 2HB ALA 110 -5.980 -52.516 -34.723 807 3HB ALA 110 3HB ALA 110 -7.237 -53.738 -34.452 808 H GLU 111 H GLU 111 -8.167 -55.200 -36.277 809 HA GLU 111 HA GLU 111 -7.835 -57.903 -35.422 810 1HB GLU 111 1HB GLU 111 -9.870 -56.681 -37.336 811 2HB GLU 111 2HB GLU 111 -9.928 -58.342 -36.741 812 1HG GLU 111 1HG GLU 111 -9.993 -57.470 -34.393 813 2HG GLU 111 2HG GLU 111 -10.107 -55.833 -35.037 814 H SER 112 H SER 112 -7.605 -56.525 -38.748 815 HA SER 112 HA SER 112 -7.095 -59.034 -40.061 816 1HB SER 112 1HB SER 112 -6.377 -56.176 -40.821 817 2HB SER 112 2HB SER 112 -6.117 -57.586 -41.869 818 HG SER 112 HG SER 112 -8.129 -56.540 -42.284 819 H HIS 113 H HIS 113 -4.872 -56.630 -38.554 820 HA HIS 113 HA HIS 113 -2.450 -57.887 -39.429 821 1HB HIS 113 1HB HIS 113 -2.513 -55.587 -38.593 822 2HB HIS 113 2HB HIS 113 -3.004 -56.147 -36.993 823 HD1 HIS 113 HD1 HIS 113 0.091 -56.174 -39.297 824 HD2 HIS 113 HD2 HIS 113 -1.116 -57.199 -35.398 825 HE1 HIS 113 HE1 HIS 113 2.216 -56.764 -38.009 826 H TYR 114 H TYR 114 -4.312 -58.273 -36.354 827 HA TYR 114 HA TYR 114 -2.556 -60.068 -35.092 828 1HB TYR 114 1HB TYR 114 -5.569 -59.956 -34.826 829 2HB TYR 114 2HB TYR 114 -4.457 -60.673 -33.671 830 HD1 TYR 114 HD1 TYR 114 -2.317 -58.405 -33.668 831 HD2 TYR 114 HD2 TYR 114 -6.624 -58.422 -33.361 832 HE1 TYR 114 HE1 TYR 114 -2.240 -56.256 -32.430 833 HE2 TYR 114 HE2 TYR 114 -6.536 -56.260 -32.125 834 HH TYR 114 HH TYR 114 -3.471 -54.587 -31.362 835 H ILE 115 H ILE 115 -4.452 -60.834 -37.854 836 HA ILE 115 HA ILE 115 -3.997 -63.754 -37.391 837 HB ILE 115 HB ILE 115 -5.900 -64.255 -38.808 838 1HG1 ILE 115 1HG1 ILE 115 -7.662 -62.471 -39.170 839 2HG1 ILE 115 2HG1 ILE 115 -6.429 -61.255 -38.876 840 1HG2 ILE 115 1HG2 ILE 115 -6.088 -64.083 -36.336 841 2HG2 ILE 115 2HG2 ILE 115 -6.667 -62.411 -36.514 842 3HG2 ILE 115 3HG2 ILE 115 -7.610 -63.759 -37.176 843 1HD1 ILE 115 1HD1 ILE 115 -6.914 -61.682 -41.287 844 2HD1 ILE 115 2HD1 ILE 115 -5.216 -61.958 -40.894 845 3HD1 ILE 115 3HD1 ILE 115 -6.319 -63.343 -41.098 846 H GLY 116 H GLY 116 -2.597 -61.294 -38.981 847 1HA GLY 116 1HA GLY 116 -2.124 -62.648 -41.568 848 2HA GLY 116 2HA GLY 116 -1.522 -61.071 -41.063 849 H LYS 117 H LYS 117 -0.017 -63.242 -42.310 850 HA LYS 117 HA LYS 117 1.508 -64.723 -40.449 851 1HB LYS 117 1HB LYS 117 2.238 -63.860 -43.267 852 2HB LYS 117 2HB LYS 117 3.186 -64.986 -42.277 853 1HG LYS 117 1HG LYS 117 1.023 -66.350 -41.982 854 2HG LYS 117 2HG LYS 117 0.341 -65.377 -43.290 855 1HD LYS 117 1HD LYS 117 2.838 -67.126 -43.436 856 2HD LYS 117 2HD LYS 117 1.238 -67.544 -44.064 857 1HE LYS 117 1HE LYS 117 1.335 -65.592 -45.617 858 2HE LYS 117 2HE LYS 117 2.954 -65.204 -45.019 859 1HZ LYS 117 1HZ LYS 117 3.706 -67.374 -45.840 860 2HZ LYS 117 2HZ LYS 117 2.210 -67.731 -46.395 861 3HZ LYS 117 3HZ LYS 117 3.059 -66.508 -47.062 862 H THR 118 H THR 118 2.008 -61.366 -41.366 863 HA THR 118 HA THR 118 4.669 -61.016 -40.408 864 HB THR 118 HB THR 118 2.380 -59.018 -40.205 865 HG1 THR 118 HG1 THR 118 3.043 -58.398 -42.274 866 1HG2 THR 118 1HG2 THR 118 5.394 -58.631 -40.509 867 2HG2 THR 118 2HG2 THR 118 4.175 -57.336 -40.543 868 3HG2 THR 118 3HG2 THR 118 4.436 -58.260 -39.058 869 H HIS 119 H HIS 119 1.531 -60.888 -38.670 870 HA HIS 119 HA HIS 119 2.685 -60.335 -36.060 871 1HB HIS 119 1HB HIS 119 0.359 -59.793 -36.810 872 2HB HIS 119 2HB HIS 119 -0.029 -61.513 -36.771 873 HD2 HIS 119 HD2 HIS 119 -0.799 -62.457 -34.449 874 HE1 HIS 119 HE1 HIS 119 0.182 -59.103 -32.007 875 HE2 HIS 119 HE2 HIS 119 -0.968 -61.374 -32.051 876 H ILE 120 H ILE 120 1.557 -63.286 -37.736 877 HA ILE 120 HA ILE 120 1.947 -65.122 -35.598 878 HB ILE 120 HB ILE 120 1.919 -65.525 -38.585 879 1HG1 ILE 120 1HG1 ILE 120 -0.172 -65.997 -36.397 880 2HG1 ILE 120 2HG1 ILE 120 -0.146 -64.608 -37.466 881 1HG2 ILE 120 1HG2 ILE 120 3.119 -67.434 -37.594 882 2HG2 ILE 120 2HG2 ILE 120 1.788 -67.677 -36.438 883 3HG2 ILE 120 3HG2 ILE 120 1.547 -67.919 -38.186 884 1HD1 ILE 120 1HD1 ILE 120 -1.790 -66.110 -38.306 885 2HD1 ILE 120 2HD1 ILE 120 -0.429 -66.115 -39.445 886 3HD1 ILE 120 3HD1 ILE 120 -0.665 -67.474 -38.315 887 H LYS 121 H LYS 121 4.301 -63.957 -38.021 888 HA LYS 121 HA LYS 121 6.485 -65.671 -37.282 889 1HB LYS 121 1HB LYS 121 6.405 -64.178 -39.285 890 2HB LYS 121 2HB LYS 121 6.544 -62.764 -38.228 891 1HG LYS 121 1HG LYS 121 8.750 -63.627 -37.407 892 2HG LYS 121 2HG LYS 121 8.615 -64.991 -38.522 893 1HD LYS 121 1HD LYS 121 8.719 -62.041 -39.307 894 2HD LYS 121 2HD LYS 121 10.084 -63.166 -39.348 895 1HE LYS 121 1HE LYS 121 8.847 -64.588 -40.991 896 2HE LYS 121 2HE LYS 121 7.526 -63.411 -40.997 897 1HZ LYS 121 1HZ LYS 121 9.054 -63.027 -42.842 898 2HZ LYS 121 2HZ LYS 121 9.106 -61.747 -41.832 899 3HZ LYS 121 3HZ LYS 121 10.320 -62.840 -41.833 900 H ASN 122 H ASN 122 5.368 -62.565 -35.907 901 HA ASN 122 HA ASN 122 7.428 -62.528 -33.869 902 1HB ASN 122 1HB ASN 122 4.952 -60.863 -34.378 903 2HB ASN 122 2HB ASN 122 5.868 -60.745 -32.876 904 1HD2 ASN 122 1HD2 ASN 122 6.940 -58.838 -33.027 905 2HD2 ASN 122 2HD2 ASN 122 8.016 -58.435 -34.374 906 H LEU 123 H LEU 123 4.133 -63.953 -33.926 907 HA LEU 123 HA LEU 123 3.887 -64.438 -31.115 908 1HB LEU 123 1HB LEU 123 3.070 -66.307 -33.384 909 2HB LEU 123 2HB LEU 123 2.544 -66.423 -31.724 910 HG LEU 123 HG LEU 123 1.829 -64.179 -33.639 911 1HD1 LEU 123 1HD1 LEU 123 0.128 -66.392 -32.429 912 2HD1 LEU 123 2HD1 LEU 123 -0.401 -65.152 -33.589 913 3HD1 LEU 123 3HD1 LEU 123 0.758 -66.397 -34.086 914 1HD2 LEU 123 1HD2 LEU 123 0.193 -63.512 -31.931 915 2HD2 LEU 123 2HD2 LEU 123 0.914 -64.664 -30.788 916 3HD2 LEU 123 3HD2 LEU 123 1.862 -63.278 -31.384 917 H ARG 124 H ARG 124 5.645 -66.279 -33.631 918 HA ARG 124 HA ARG 124 6.641 -68.358 -31.949 919 1HB ARG 124 1HB ARG 124 6.437 -68.219 -34.522 920 2HB ARG 124 2HB ARG 124 7.926 -67.259 -34.492 921 1HG ARG 124 1HG ARG 124 9.073 -69.125 -33.322 922 2HG ARG 124 2HG ARG 124 7.552 -70.050 -33.360 923 1HD ARG 124 1HD ARG 124 7.582 -69.988 -35.839 924 2HD ARG 124 2HD ARG 124 9.107 -69.075 -35.797 925 HE ARG 124 HE ARG 124 9.474 -71.455 -34.293 926 1HH1 ARG 124 1HH1 ARG 124 8.980 -70.612 -37.658 927 2HH1 ARG 124 2HH1 ARG 124 9.815 -72.031 -38.231 928 1HH2 ARG 124 1HH2 ARG 124 10.523 -73.244 -35.091 929 2HH2 ARG 124 2HH2 ARG 124 10.664 -73.478 -36.809 930 H LEU 125 H LEU 125 8.065 -65.218 -32.941 931 HA LEU 125 HA LEU 125 10.557 -65.547 -31.531 932 1HB LEU 125 1HB LEU 125 9.066 -63.020 -32.345 933 2HB LEU 125 2HB LEU 125 10.712 -63.054 -31.734 934 HG LEU 125 HG LEU 125 9.837 -64.440 -34.302 935 1HD1 LEU 125 1HD1 LEU 125 11.007 -62.611 -35.444 936 2HD1 LEU 125 2HD1 LEU 125 9.677 -61.978 -34.467 937 3HD1 LEU 125 3HD1 LEU 125 11.349 -61.829 -33.884 938 1HD2 LEU 125 1HD2 LEU 125 12.600 -63.916 -33.131 939 2HD2 LEU 125 2HD2 LEU 125 11.826 -65.504 -33.343 940 3HD2 LEU 125 3HD2 LEU 125 12.271 -64.549 -34.758 941 H ARG 126 H ARG 126 7.415 -64.298 -30.458 942 HA ARG 126 HA ARG 126 8.368 -63.581 -27.748 943 1HB ARG 126 1HB ARG 126 5.576 -63.813 -28.952 944 2HB ARG 126 2HB ARG 126 5.923 -63.199 -27.345 945 1HG ARG 126 1HG ARG 126 6.660 -61.851 -29.969 946 2HG ARG 126 2HG ARG 126 5.427 -61.389 -28.809 947 1HD ARG 126 1HD ARG 126 7.098 -59.877 -28.334 948 2HD ARG 126 2HD ARG 126 7.360 -61.112 -27.110 949 HE ARG 126 HE ARG 126 9.418 -61.611 -28.071 950 1HH1 ARG 126 1HH1 ARG 126 7.708 -59.597 -30.410 951 2HH1 ARG 126 2HH1 ARG 126 9.136 -59.418 -31.387 952 1HH2 ARG 126 1HH2 ARG 126 11.158 -61.329 -29.384 953 2HH2 ARG 126 2HH2 ARG 126 11.029 -60.354 -30.817 954 H GLU 127 H GLU 127 7.612 -66.474 -29.239 955 HA GLU 127 HA GLU 127 7.083 -68.579 -28.623 956 1HB GLU 127 1HB GLU 127 8.418 -67.721 -26.033 957 2HB GLU 127 2HB GLU 127 8.044 -69.387 -26.431 958 1HG GLU 127 1HG GLU 127 9.870 -67.621 -28.117 959 2HG GLU 127 2HG GLU 127 10.414 -68.672 -26.820 960 H GLN 128 H GLN 128 4.995 -66.711 -28.396 961 HA GLN 128 HA GLN 128 3.151 -68.049 -26.456 962 1HB GLN 128 1HB GLN 128 3.689 -65.066 -26.768 963 2HB GLN 128 2HB GLN 128 2.224 -65.699 -26.011 964 1HG GLN 128 1HG GLN 128 3.421 -66.660 -24.187 965 2HG GLN 128 2HG GLN 128 4.979 -66.477 -24.986 966 1HE2 GLN 128 1HE2 GLN 128 6.037 -64.460 -25.028 967 2HE2 GLN 128 2HE2 GLN 128 5.483 -63.121 -24.012 Start of MODEL 11 1 1H ALA 2 1H ALA 2 -14.114 -4.242 -26.833 2 HA ALA 2 HA ALA 2 -16.617 -2.701 -27.016 3 1HB ALA 2 1HB ALA 2 -17.968 -4.573 -26.121 4 2HB ALA 2 2HB ALA 2 -17.278 -4.997 -27.695 5 3HB ALA 2 3HB ALA 2 -16.556 -5.648 -26.206 6 H ASP 3 H ASP 3 -17.656 -2.504 -24.834 7 HA ASP 3 HA ASP 3 -15.971 -2.922 -22.460 8 1HB ASP 3 1HB ASP 3 -15.130 -0.798 -23.450 9 2HB ASP 3 2HB ASP 3 -16.767 -0.143 -23.426 10 H GLU 4 H GLU 4 -17.074 -2.390 -20.500 11 HA GLU 4 HA GLU 4 -20.000 -1.980 -20.512 12 1HB GLU 4 1HB GLU 4 -20.489 -3.993 -19.249 13 2HB GLU 4 2HB GLU 4 -19.760 -4.407 -20.794 14 1HG GLU 4 1HG GLU 4 -17.569 -4.789 -19.669 15 2HG GLU 4 2HG GLU 4 -18.288 -4.361 -18.118 16 H PHE 5 H PHE 5 -17.156 -0.994 -19.267 17 HA PHE 5 HA PHE 5 -17.701 -0.936 -16.421 18 1HB PHE 5 1HB PHE 5 -15.444 -0.933 -17.448 19 2HB PHE 5 2HB PHE 5 -15.769 0.636 -18.172 20 HD1 PHE 5 HD1 PHE 5 -15.249 2.627 -16.976 21 HD2 PHE 5 HD2 PHE 5 -15.520 -1.122 -14.857 22 HE1 PHE 5 HE1 PHE 5 -14.406 3.728 -14.915 23 HE2 PHE 5 HE2 PHE 5 -14.677 -0.015 -12.797 24 HZ PHE 5 HZ PHE 5 -14.121 2.410 -12.824 25 H GLY 6 H GLY 6 -17.890 1.041 -15.153 26 1HA GLY 6 1HA GLY 6 -18.828 3.543 -16.218 27 2HA GLY 6 2HA GLY 6 -20.171 2.584 -15.583 28 H ASN 7 H ASN 7 -19.791 4.923 -14.379 29 HA ASN 7 HA ASN 7 -17.896 5.078 -12.278 30 1HB ASN 7 1HB ASN 7 -19.163 6.993 -13.240 31 2HB ASN 7 2HB ASN 7 -20.644 6.369 -12.511 32 1HD2 ASN 7 1HD2 ASN 7 -20.884 8.384 -11.338 33 2HD2 ASN 7 2HD2 ASN 7 -19.866 8.699 -9.940 34 H GLY 8 H GLY 8 -17.961 4.722 -10.128 35 1HA GLY 8 1HA GLY 8 -20.212 3.537 -8.688 36 2HA GLY 8 2HA GLY 8 -18.845 2.435 -8.930 37 H ASP 9 H ASP 9 -18.085 5.832 -8.609 38 HA ASP 9 HA ASP 9 -16.426 5.464 -6.307 39 1HB ASP 9 1HB ASP 9 -16.019 7.112 -8.075 40 2HB ASP 9 2HB ASP 9 -17.521 7.951 -7.676 41 H ALA 10 H ALA 10 -16.791 5.704 -4.166 42 HA ALA 10 HA ALA 10 -19.056 7.195 -3.066 43 1HB ALA 10 1HB ALA 10 -20.091 5.005 -3.637 44 2HB ALA 10 2HB ALA 10 -18.835 4.165 -2.701 45 3HB ALA 10 3HB ALA 10 -20.002 5.229 -1.883 46 H LEU 11 H LEU 11 -19.056 7.122 -0.655 47 HA LEU 11 HA LEU 11 -16.667 6.284 0.765 48 1HB LEU 11 1HB LEU 11 -15.920 8.430 -0.216 49 2HB LEU 11 2HB LEU 11 -17.368 9.231 0.392 50 HG LEU 11 HG LEU 11 -16.605 8.848 2.727 51 1HD1 LEU 11 1HD1 LEU 11 -14.022 7.827 1.471 52 2HD1 LEU 11 2HD1 LEU 11 -14.331 8.079 3.193 53 3HD1 LEU 11 3HD1 LEU 11 -15.184 6.807 2.339 54 1HD2 LEU 11 1HD2 LEU 11 -14.824 10.506 2.699 55 2HD2 LEU 11 2HD2 LEU 11 -14.507 10.190 0.977 56 3HD2 LEU 11 3HD2 LEU 11 -16.041 10.925 1.492 57 H ASP 12 H ASP 12 -17.134 5.929 2.852 58 HA ASP 12 HA ASP 12 -19.551 7.013 4.175 59 1HB ASP 12 1HB ASP 12 -20.221 4.921 2.992 60 2HB ASP 12 2HB ASP 12 -18.995 4.031 3.893 61 H LEU 13 H LEU 13 -17.212 7.974 4.778 62 HA LEU 13 HA LEU 13 -15.501 6.646 6.504 63 1HB LEU 13 1HB LEU 13 -14.510 8.710 6.970 64 2HB LEU 13 2HB LEU 13 -15.097 8.815 5.324 65 HG LEU 13 HG LEU 13 -16.435 10.078 7.767 66 1HD1 LEU 13 1HD1 LEU 13 -15.616 12.185 6.889 67 2HD1 LEU 13 2HD1 LEU 13 -14.259 11.093 7.201 68 3HD1 LEU 13 3HD1 LEU 13 -14.824 11.358 5.531 69 1HD2 LEU 13 1HD2 LEU 13 -18.121 9.692 6.030 70 2HD2 LEU 13 2HD2 LEU 13 -17.718 11.404 6.093 71 3HD2 LEU 13 3HD2 LEU 13 -17.046 10.398 4.793 72 HA PRO 14 HA PRO 14 -17.324 6.203 10.518 73 1HB PRO 14 1HB PRO 14 -14.738 7.325 11.613 74 2HB PRO 14 2HB PRO 14 -15.605 5.844 12.100 75 1HG PRO 14 1HG PRO 14 -13.419 5.688 10.535 76 2HG PRO 14 2HG PRO 14 -14.863 4.690 10.156 77 1HD PRO 14 1HD PRO 14 -14.020 7.325 8.906 78 2HD PRO 14 2HD PRO 14 -14.565 5.815 8.116 79 H VAL 15 H VAL 15 -18.142 7.285 12.355 80 HA VAL 15 HA VAL 15 -17.714 10.178 12.681 81 HB VAL 15 HB VAL 15 -19.555 9.808 11.011 82 1HG1 VAL 15 1HG1 VAL 15 -21.771 9.157 11.723 83 2HG1 VAL 15 2HG1 VAL 15 -20.635 7.835 12.029 84 3HG1 VAL 15 3HG1 VAL 15 -21.208 8.848 13.374 85 1HG2 VAL 15 1HG2 VAL 15 -19.327 11.922 12.260 86 2HG2 VAL 15 2HG2 VAL 15 -20.989 11.545 11.773 87 3HG2 VAL 15 3HG2 VAL 15 -20.496 11.322 13.458 88 H GLY 16 H GLY 16 -17.120 7.717 14.142 89 1HA GLY 16 1HA GLY 16 -17.253 8.583 16.787 90 2HA GLY 16 2HA GLY 16 -18.653 7.522 16.578 91 H LYS 17 H LYS 17 -16.689 6.850 18.395 92 HA LYS 17 HA LYS 17 -14.543 5.279 17.467 93 1HB LYS 17 1HB LYS 17 -14.711 6.078 19.750 94 2HB LYS 17 2HB LYS 17 -16.081 5.004 20.079 95 1HG LYS 17 1HG LYS 17 -14.744 3.055 19.998 96 2HG LYS 17 2HG LYS 17 -13.488 3.833 19.035 97 1HD LYS 17 1HD LYS 17 -12.610 3.446 21.198 98 2HD LYS 17 2HD LYS 17 -12.793 5.185 20.970 99 1HE LYS 17 1HE LYS 17 -14.988 5.003 22.291 100 2HE LYS 17 2HE LYS 17 -14.546 3.319 22.616 101 1HZ LYS 17 1HZ LYS 17 -13.124 5.757 23.505 102 2HZ LYS 17 2HZ LYS 17 -13.687 4.537 24.433 103 3HZ LYS 17 3HZ LYS 17 -12.354 4.329 23.480 104 H ASP 18 H ASP 18 -17.909 4.227 17.915 105 HA ASP 18 HA ASP 18 -17.486 1.420 17.634 106 1HB ASP 18 1HB ASP 18 -19.851 3.154 16.807 107 2HB ASP 18 2HB ASP 18 -19.863 1.393 16.834 108 H ALA 19 H ALA 19 -18.013 3.924 15.106 109 HA ALA 19 HA ALA 19 -17.858 2.051 12.897 110 1HB ALA 19 1HB ALA 19 -19.041 4.157 12.626 111 2HB ALA 19 2HB ALA 19 -17.573 5.081 13.023 112 3HB ALA 19 3HB ALA 19 -17.641 4.115 11.527 113 H VAL 20 H VAL 20 -15.449 4.193 14.525 114 HA VAL 20 HA VAL 20 -13.293 3.630 12.693 115 HB VAL 20 HB VAL 20 -13.227 4.470 15.620 116 1HG1 VAL 20 1HG1 VAL 20 -11.088 3.460 15.181 117 2HG1 VAL 20 2HG1 VAL 20 -10.996 4.202 13.573 118 3HG1 VAL 20 3HG1 VAL 20 -10.854 5.204 15.032 119 1HG2 VAL 20 1HG2 VAL 20 -12.819 6.029 13.026 120 2HG2 VAL 20 2HG2 VAL 20 -14.225 6.152 14.102 121 3HG2 VAL 20 3HG2 VAL 20 -12.644 6.687 14.666 122 H ASN 21 H ASN 21 -14.237 2.020 15.776 123 HA ASN 21 HA ASN 21 -12.156 0.051 15.734 124 1HB ASN 21 1HB ASN 21 -14.928 0.120 17.002 125 2HB ASN 21 2HB ASN 21 -13.813 -1.226 17.212 126 1HD2 ASN 21 1HD2 ASN 21 -14.582 -0.136 19.481 127 2HD2 ASN 21 2HD2 ASN 21 -13.301 0.859 20.156 128 H SER 22 H SER 22 -15.496 -0.046 14.338 129 HA SER 22 HA SER 22 -15.191 -2.722 13.296 130 1HB SER 22 1HB SER 22 -17.096 -0.462 12.644 131 2HB SER 22 2HB SER 22 -17.073 -1.978 11.720 132 HG SER 22 HG SER 22 -17.621 -1.599 14.470 133 H LEU 23 H LEU 23 -14.462 0.489 11.839 134 HA LEU 23 HA LEU 23 -13.834 -0.485 9.234 135 1HB LEU 23 1HB LEU 23 -14.217 1.908 9.868 136 2HB LEU 23 2HB LEU 23 -12.706 1.899 10.774 137 HG LEU 23 HG LEU 23 -11.464 1.455 8.636 138 1HD1 LEU 23 1HD1 LEU 23 -13.268 0.434 7.284 139 2HD1 LEU 23 2HD1 LEU 23 -14.209 1.936 7.383 140 3HD1 LEU 23 3HD1 LEU 23 -12.670 1.895 6.493 141 1HD2 LEU 23 1HD2 LEU 23 -11.697 3.726 7.771 142 2HD2 LEU 23 2HD2 LEU 23 -13.275 3.892 8.570 143 3HD2 LEU 23 3HD2 LEU 23 -11.792 3.752 9.544 144 H ILE 24 H ILE 24 -11.811 -0.106 12.149 145 HA ILE 24 HA ILE 24 -9.341 -1.058 11.008 146 HB ILE 24 HB ILE 24 -10.416 -0.945 13.851 147 1HG1 ILE 24 1HG1 ILE 24 -8.156 0.684 12.618 148 2HG1 ILE 24 2HG1 ILE 24 -9.830 1.214 12.537 149 1HG2 ILE 24 1HG2 ILE 24 -8.822 -2.758 13.877 150 2HG2 ILE 24 2HG2 ILE 24 -7.689 -1.839 12.868 151 3HG2 ILE 24 3HG2 ILE 24 -8.008 -1.362 14.555 152 1HD1 ILE 24 1HD1 ILE 24 -9.958 1.085 15.058 153 2HD1 ILE 24 2HD1 ILE 24 -8.203 0.795 15.073 154 3HD1 ILE 24 3HD1 ILE 24 -8.848 2.306 14.425 155 H ARG 25 H ARG 25 -11.907 -2.731 12.880 156 HA ARG 25 HA ARG 25 -10.832 -5.347 12.899 157 1HB ARG 25 1HB ARG 25 -12.671 -4.501 14.309 158 2HB ARG 25 2HB ARG 25 -13.712 -4.384 12.878 159 1HG ARG 25 1HG ARG 25 -13.611 -6.832 12.633 160 2HG ARG 25 2HG ARG 25 -12.577 -6.918 14.070 161 1HD ARG 25 1HD ARG 25 -14.950 -7.451 14.607 162 2HD ARG 25 2HD ARG 25 -14.344 -6.054 15.487 163 HE ARG 25 HE ARG 25 -16.002 -4.779 14.544 164 1HH1 ARG 25 1HH1 ARG 25 -15.661 -7.540 12.410 165 2HH1 ARG 25 2HH1 ARG 25 -16.717 -6.833 11.202 166 1HH2 ARG 25 1HH2 ARG 25 -17.494 -4.046 13.042 167 2HH2 ARG 25 2HH2 ARG 25 -17.849 -5.056 11.656 168 H GLU 26 H GLU 26 -13.021 -3.894 10.475 169 HA GLU 26 HA GLU 26 -13.182 -6.293 8.830 170 1HB GLU 26 1HB GLU 26 -13.905 -3.377 8.355 171 2HB GLU 26 2HB GLU 26 -14.231 -4.640 7.185 172 1HG GLU 26 1HG GLU 26 -15.352 -4.591 10.020 173 2HG GLU 26 2HG GLU 26 -16.188 -3.996 8.594 174 H ASN 27 H ASN 27 -10.745 -3.837 9.067 175 HA ASN 27 HA ASN 27 -9.483 -4.784 6.531 176 1HB ASN 27 1HB ASN 27 -9.672 -1.901 7.448 177 2HB ASN 27 2HB ASN 27 -8.858 -2.471 6.002 178 1HD2 ASN 27 1HD2 ASN 27 -11.920 -1.690 7.437 179 2HD2 ASN 27 2HD2 ASN 27 -12.862 -1.856 5.946 180 H SER 28 H SER 28 -8.836 -5.821 9.028 181 HA SER 28 HA SER 28 -6.770 -4.631 10.472 182 1HB SER 28 1HB SER 28 -6.223 -6.911 11.224 183 2HB SER 28 2HB SER 28 -7.963 -6.572 11.248 184 HG SER 28 HG SER 28 -7.486 -8.628 10.319 185 H HIS 29 H HIS 29 -6.502 -5.882 7.262 186 HA HIS 29 HA HIS 29 -3.649 -6.433 7.257 187 1HB HIS 29 1HB HIS 29 -3.975 -6.688 4.856 188 2HB HIS 29 2HB HIS 29 -5.203 -7.571 5.750 189 HD2 HIS 29 HD2 HIS 29 -4.992 -5.670 2.731 190 HE1 HIS 29 HE1 HIS 29 -8.880 -4.624 4.135 191 HE2 HIS 29 HE2 HIS 29 -7.321 -4.600 2.124 192 H ILE 30 H ILE 30 -5.518 -3.507 6.965 193 HA ILE 30 HA ILE 30 -3.057 -1.987 6.197 194 HB ILE 30 HB ILE 30 -4.495 -0.406 4.937 195 1HG1 ILE 30 1HG1 ILE 30 -6.616 -2.586 5.124 196 2HG1 ILE 30 2HG1 ILE 30 -6.676 -1.035 5.958 197 1HG2 ILE 30 1HG2 ILE 30 -4.468 -3.227 3.818 198 2HG2 ILE 30 2HG2 ILE 30 -4.483 -1.710 2.898 199 3HG2 ILE 30 3HG2 ILE 30 -3.073 -2.135 3.868 200 1HD1 ILE 30 1HD1 ILE 30 -8.089 -0.918 4.019 201 2HD1 ILE 30 2HD1 ILE 30 -6.682 0.122 3.734 202 3HD1 ILE 30 3HD1 ILE 30 -6.791 -1.477 2.953 203 H PHE 31 H PHE 31 -5.693 -2.182 8.414 204 HA PHE 31 HA PHE 31 -4.840 0.416 9.662 205 1HB PHE 31 1HB PHE 31 -7.614 -0.811 9.623 206 2HB PHE 31 2HB PHE 31 -7.174 0.707 10.373 207 HD1 PHE 31 HD1 PHE 31 -9.419 0.048 8.393 208 HD2 PHE 31 HD2 PHE 31 -5.529 1.826 7.914 209 HE1 PHE 31 HE1 PHE 31 -10.174 1.119 6.285 210 HE2 PHE 31 HE2 PHE 31 -6.296 2.932 5.832 211 HZ PHE 31 HZ PHE 31 -8.602 2.530 4.986 212 H SER 32 H SER 32 -4.779 0.428 11.902 213 HA SER 32 HA SER 32 -5.622 -1.908 13.481 214 1HB SER 32 1HB SER 32 -3.585 -2.476 14.405 215 2HB SER 32 2HB SER 32 -3.208 -2.312 12.686 216 HG SER 32 HG SER 32 -1.671 -1.265 14.030 217 H ASP 33 H ASP 33 -5.215 -1.457 15.868 218 HA ASP 33 HA ASP 33 -6.352 1.074 16.611 219 1HB ASP 33 1HB ASP 33 -5.001 -1.141 18.206 220 2HB ASP 33 2HB ASP 33 -5.758 0.268 18.947 221 H THR 34 H THR 34 -3.116 0.338 15.766 222 HA THR 34 HA THR 34 -2.111 2.792 17.119 223 HB THR 34 HB THR 34 0.059 1.656 17.481 224 HG1 THR 34 HG1 THR 34 0.086 -0.600 17.359 225 1HG2 THR 34 1HG2 THR 34 -2.240 0.196 18.843 226 2HG2 THR 34 2HG2 THR 34 -0.576 0.387 19.435 227 3HG2 THR 34 3HG2 THR 34 -1.634 1.803 19.303 228 H GLN 35 H GLN 35 -2.555 1.459 14.037 229 HA GLN 35 HA GLN 35 -0.804 3.507 12.910 230 1HB GLN 35 1HB GLN 35 0.731 1.530 13.413 231 2HB GLN 35 2HB GLN 35 -0.252 0.552 12.325 232 1HG GLN 35 1HG GLN 35 0.418 2.033 10.424 233 2HG GLN 35 2HG GLN 35 1.325 3.044 11.555 234 1HE2 GLN 35 1HE2 GLN 35 3.435 2.700 10.750 235 2HE2 GLN 35 2HE2 GLN 35 4.164 1.102 10.711 236 H CYS 36 H CYS 36 -1.231 4.023 10.796 237 HA CYS 36 HA CYS 36 -3.362 2.486 9.312 238 1HB CYS 36 1HB CYS 36 -4.190 4.710 10.028 239 2HB CYS 36 2HB CYS 36 -2.783 5.473 9.273 240 H LYS 37 H LYS 37 -2.365 1.388 7.657 241 HA LYS 37 HA LYS 37 0.288 2.142 6.668 242 1HB LYS 37 1HB LYS 37 -1.688 0.092 5.582 243 2HB LYS 37 2HB LYS 37 0.012 0.261 5.134 244 1HG LYS 37 1HG LYS 37 0.625 -0.190 7.564 245 2HG LYS 37 2HG LYS 37 -1.086 -0.576 7.848 246 1HD LYS 37 1HD LYS 37 -0.899 -2.228 5.898 247 2HD LYS 37 2HD LYS 37 0.849 -1.954 5.944 248 1HE LYS 37 1HE LYS 37 0.989 -2.811 8.219 249 2HE LYS 37 2HE LYS 37 -0.775 -2.854 8.364 250 1HZ LYS 37 1HZ LYS 37 0.791 -4.531 6.480 251 2HZ LYS 37 2HZ LYS 37 0.109 -5.058 7.869 252 3HZ LYS 37 3HZ LYS 37 -0.844 -4.543 6.637 253 H VAL 38 H VAL 38 -3.011 2.534 5.384 254 HA VAL 38 HA VAL 38 -2.327 3.295 2.723 255 HB VAL 38 HB VAL 38 -4.700 4.267 4.367 256 1HG1 VAL 38 1HG1 VAL 38 -4.469 5.624 2.346 257 2HG1 VAL 38 2HG1 VAL 38 -4.230 4.166 1.353 258 3HG1 VAL 38 3HG1 VAL 38 -5.795 4.488 2.122 259 1HG2 VAL 38 1HG2 VAL 38 -4.660 1.816 4.288 260 2HG2 VAL 38 2HG2 VAL 38 -5.913 2.413 3.202 261 3HG2 VAL 38 3HG2 VAL 38 -4.367 1.847 2.537 262 H CYS 39 H CYS 39 -2.442 5.233 5.697 263 HA CYS 39 HA CYS 39 -1.458 7.652 4.275 264 1HB CYS 39 1HB CYS 39 -2.595 7.216 7.048 265 2HB CYS 39 2HB CYS 39 -2.197 8.762 6.316 266 H SER 40 H SER 40 -0.059 5.026 5.447 267 HA SER 40 HA SER 40 1.635 4.385 6.801 268 1HB SER 40 1HB SER 40 3.800 5.076 5.806 269 2HB SER 40 2HB SER 40 2.577 4.627 4.616 270 HG SER 40 HG SER 40 3.323 7.276 5.358 271 H ALA 41 H ALA 41 0.436 5.622 8.562 272 HA ALA 41 HA ALA 41 2.432 7.272 10.063 273 1HB ALA 41 1HB ALA 41 0.614 8.798 10.748 274 2HB ALA 41 2HB ALA 41 0.833 8.805 8.988 275 3HB ALA 41 3HB ALA 41 -0.528 7.915 9.711 276 H VAL 42 H VAL 42 2.471 7.077 12.223 277 HA VAL 42 HA VAL 42 1.142 4.730 13.437 278 HB VAL 42 HB VAL 42 3.317 6.602 14.489 279 1HG1 VAL 42 1HG1 VAL 42 3.763 4.836 16.174 280 2HG1 VAL 42 2HG1 VAL 42 2.169 5.541 16.395 281 3HG1 VAL 42 3HG1 VAL 42 2.331 3.945 15.623 282 1HG2 VAL 42 1HG2 VAL 42 4.832 4.675 14.079 283 2HG2 VAL 42 2HG2 VAL 42 3.484 3.767 13.362 284 3HG2 VAL 42 3HG2 VAL 42 4.102 5.239 12.578 285 H LEU 43 H LEU 43 -0.058 4.826 15.292 286 HA LEU 43 HA LEU 43 -1.401 7.395 16.034 287 1HB LEU 43 1HB LEU 43 -2.659 4.650 15.609 288 2HB LEU 43 2HB LEU 43 -3.507 6.118 16.050 289 HG LEU 43 HG LEU 43 -2.023 5.721 13.405 290 1HD1 LEU 43 1HD1 LEU 43 -3.912 4.177 13.583 291 2HD1 LEU 43 2HD1 LEU 43 -4.994 5.530 13.958 292 3HD1 LEU 43 3HD1 LEU 43 -4.200 5.442 12.379 293 1HD2 LEU 43 1HD2 LEU 43 -3.271 7.686 12.674 294 2HD2 LEU 43 2HD2 LEU 43 -4.009 7.860 14.284 295 3HD2 LEU 43 3HD2 LEU 43 -2.267 8.103 14.060 296 H ILE 44 H ILE 44 0.271 7.370 17.693 297 HA ILE 44 HA ILE 44 0.771 5.374 19.543 298 HB ILE 44 HB ILE 44 1.794 7.063 20.924 299 1HG1 ILE 44 1HG1 ILE 44 0.119 8.877 20.727 300 2HG1 ILE 44 2HG1 ILE 44 1.794 9.374 20.578 301 1HG2 ILE 44 1HG2 ILE 44 3.005 6.181 19.016 302 2HG2 ILE 44 2HG2 ILE 44 2.391 7.474 17.971 303 3HG2 ILE 44 3HG2 ILE 44 3.455 7.864 19.333 304 1HD1 ILE 44 1HD1 ILE 44 -0.232 9.211 18.316 305 2HD1 ILE 44 2HD1 ILE 44 0.455 10.655 19.061 306 3HD1 ILE 44 3HD1 ILE 44 1.496 9.599 18.101 307 H SER 45 H SER 45 -2.183 7.108 19.543 308 HA SER 45 HA SER 45 -3.054 5.748 21.979 309 1HB SER 45 1HB SER 45 -2.784 8.773 21.862 310 2HB SER 45 2HB SER 45 -4.004 7.997 22.880 311 HG SER 45 HG SER 45 -1.307 7.164 23.002 312 H GLU 46 H GLU 46 -5.357 5.860 22.285 313 HA GLU 46 HA GLU 46 -6.872 5.530 19.917 314 1HB GLU 46 1HB GLU 46 -7.366 4.518 22.078 315 2HB GLU 46 2HB GLU 46 -7.852 6.085 22.739 316 1HG GLU 46 1HG GLU 46 -9.807 6.178 21.421 317 2HG GLU 46 2HG GLU 46 -9.160 5.086 20.202 318 H SER 47 H SER 47 -6.502 8.552 21.869 319 HA SER 47 HA SER 47 -8.583 9.987 20.513 320 1HB SER 47 1HB SER 47 -7.343 12.016 21.282 321 2HB SER 47 2HB SER 47 -7.765 10.854 22.551 322 HG SER 47 HG SER 47 -5.604 11.534 22.786 323 H GLN 48 H GLN 48 -5.109 9.564 19.707 324 HA GLN 48 HA GLN 48 -5.244 11.247 17.324 325 1HB GLN 48 1HB GLN 48 -3.227 9.211 18.349 326 2HB GLN 48 2HB GLN 48 -3.148 9.828 16.700 327 1HG GLN 48 1HG GLN 48 -1.701 11.201 17.972 328 2HG GLN 48 2HG GLN 48 -3.103 12.169 17.561 329 1HE2 GLN 48 1HE2 GLN 48 -3.969 13.350 19.304 330 2HE2 GLN 48 2HE2 GLN 48 -3.720 12.901 20.985 331 H LYS 49 H LYS 49 -5.676 7.738 17.950 332 HA LYS 49 HA LYS 49 -5.994 6.991 15.196 333 1HB LYS 49 1HB LYS 49 -6.017 4.958 16.111 334 2HB LYS 49 2HB LYS 49 -6.018 5.678 17.709 335 1HG LYS 49 1HG LYS 49 -8.510 5.664 17.700 336 2HG LYS 49 2HG LYS 49 -8.481 4.894 16.109 337 1HD LYS 49 1HD LYS 49 -7.378 2.915 17.090 338 2HD LYS 49 2HD LYS 49 -7.366 3.701 18.691 339 1HE LYS 49 1HE LYS 49 -9.861 4.049 18.414 340 2HE LYS 49 2HE LYS 49 -9.780 3.013 16.967 341 1HZ LYS 49 1HZ LYS 49 -10.461 1.660 18.725 342 2HZ LYS 49 2HZ LYS 49 -8.904 1.236 18.527 343 3HZ LYS 49 3HZ LYS 49 -9.360 2.225 19.791 344 H LEU 50 H LEU 50 -8.433 7.987 17.589 345 HA LEU 50 HA LEU 50 -10.688 7.819 15.836 346 1HB LEU 50 1HB LEU 50 -10.156 9.493 18.337 347 2HB LEU 50 2HB LEU 50 -11.697 9.495 17.481 348 HG LEU 50 HG LEU 50 -10.441 7.145 18.942 349 1HD1 LEU 50 1HD1 LEU 50 -11.597 8.889 20.294 350 2HD1 LEU 50 2HD1 LEU 50 -13.066 8.636 19.316 351 3HD1 LEU 50 3HD1 LEU 50 -12.434 7.330 20.333 352 1HD2 LEU 50 1HD2 LEU 50 -12.964 7.181 17.254 353 2HD2 LEU 50 2HD2 LEU 50 -11.505 6.185 16.998 354 3HD2 LEU 50 3HD2 LEU 50 -12.500 5.906 18.411 355 H ALA 51 H ALA 51 -8.452 10.570 16.422 356 HA ALA 51 HA ALA 51 -9.940 12.336 14.682 357 1HB ALA 51 1HB ALA 51 -7.021 12.410 15.599 358 2HB ALA 51 2HB ALA 51 -7.915 13.757 14.863 359 3HB ALA 51 3HB ALA 51 -8.398 13.140 16.456 360 H HIS 52 H HIS 52 -7.104 10.189 14.110 361 HA HIS 52 HA HIS 52 -6.666 11.021 11.413 362 1HB HIS 52 1HB HIS 52 -5.055 9.787 12.866 363 2HB HIS 52 2HB HIS 52 -6.035 8.329 12.689 364 HD1 HIS 52 HD1 HIS 52 -3.282 10.208 10.996 365 HD2 HIS 52 HD2 HIS 52 -6.301 7.462 9.955 366 HE1 HIS 52 HE1 HIS 52 -2.672 9.296 8.683 367 H TYR 53 H TYR 53 -8.508 8.139 12.662 368 HA TYR 53 HA TYR 53 -9.269 7.306 10.024 369 1HB TYR 53 1HB TYR 53 -10.339 6.589 12.763 370 2HB TYR 53 2HB TYR 53 -10.937 5.862 11.277 371 HD1 TYR 53 HD1 TYR 53 -9.022 4.980 9.617 372 HD2 TYR 53 HD2 TYR 53 -8.676 5.287 13.883 373 HE1 TYR 53 HE1 TYR 53 -7.114 3.378 9.576 374 HE2 TYR 53 HE2 TYR 53 -6.794 3.663 13.857 375 HH TYR 53 HH TYR 53 -5.498 2.316 12.590 376 H GLN 54 H GLN 54 -10.613 9.854 11.947 377 HA GLN 54 HA GLN 54 -13.101 9.933 10.289 378 1HB GLN 54 1HB GLN 54 -12.246 11.475 12.768 379 2HB GLN 54 2HB GLN 54 -13.741 11.769 11.872 380 1HG GLN 54 1HG GLN 54 -14.504 9.477 12.285 381 2HG GLN 54 2HG GLN 54 -13.021 9.112 13.177 382 1HE2 GLN 54 1HE2 GLN 54 -12.597 10.460 15.138 383 2HE2 GLN 54 2HE2 GLN 54 -13.999 10.998 16.082 384 H SER 55 H SER 55 -9.936 11.278 10.270 385 HA SER 55 HA SER 55 -10.402 13.918 9.363 386 1HB SER 55 1HB SER 55 -8.199 13.182 10.070 387 2HB SER 55 2HB SER 55 -8.111 12.021 8.728 388 HG SER 55 HG SER 55 -7.056 14.140 8.412 389 H ARG 56 H ARG 56 -10.834 14.838 7.443 390 HA ARG 56 HA ARG 56 -12.045 13.299 5.328 391 1HB ARG 56 1HB ARG 56 -11.118 16.188 5.263 392 2HB ARG 56 2HB ARG 56 -12.225 15.410 4.126 393 1HG ARG 56 1HG ARG 56 -12.708 15.908 7.087 394 2HG ARG 56 2HG ARG 56 -13.487 16.720 5.725 395 1HD ARG 56 1HD ARG 56 -14.492 14.501 5.070 396 2HD ARG 56 2HD ARG 56 -13.811 13.799 6.541 397 HE ARG 56 HE ARG 56 -16.015 15.776 6.333 398 1HH1 ARG 56 1HH1 ARG 56 -14.114 13.787 8.589 399 2HH1 ARG 56 2HH1 ARG 56 -15.213 14.138 9.878 400 1HH2 ARG 56 1HH2 ARG 56 -17.334 16.107 8.055 401 2HH2 ARG 56 2HH2 ARG 56 -16.974 15.382 9.593 402 H LYS 57 H LYS 57 -8.758 14.395 5.836 403 HA LYS 57 HA LYS 57 -7.780 13.921 3.119 404 1HB LYS 57 1HB LYS 57 -6.406 14.163 5.838 405 2HB LYS 57 2HB LYS 57 -5.533 13.774 4.363 406 1HG LYS 57 1HG LYS 57 -5.278 16.096 4.769 407 2HG LYS 57 2HG LYS 57 -6.252 15.879 3.314 408 1HD LYS 57 1HD LYS 57 -8.286 16.527 4.517 409 2HD LYS 57 2HD LYS 57 -7.424 16.480 6.064 410 1HE LYS 57 1HE LYS 57 -7.679 18.776 5.436 411 2HE LYS 57 2HE LYS 57 -5.972 18.352 5.310 412 1HZ LYS 57 1HZ LYS 57 -6.741 19.638 3.390 413 2HZ LYS 57 2HZ LYS 57 -6.270 18.159 2.894 414 3HZ LYS 57 3HZ LYS 57 -7.863 18.517 3.016 415 H HIS 58 H HIS 58 -7.839 11.965 6.110 416 HA HIS 58 HA HIS 58 -6.655 9.568 5.004 417 1HB HIS 58 1HB HIS 58 -6.755 9.770 7.385 418 2HB HIS 58 2HB HIS 58 -8.475 10.144 7.363 419 HD2 HIS 58 HD2 HIS 58 -10.236 8.149 7.069 420 HE1 HIS 58 HE1 HIS 58 -7.474 4.927 7.466 421 HE2 HIS 58 HE2 HIS 58 -9.946 5.551 7.339 422 H ALA 59 H ALA 59 -10.077 10.573 5.441 423 HA ALA 59 HA ALA 59 -11.292 8.283 4.361 424 1HB ALA 59 1HB ALA 59 -13.250 9.755 4.152 425 2HB ALA 59 2HB ALA 59 -12.403 10.059 5.675 426 3HB ALA 59 3HB ALA 59 -12.226 11.189 4.311 427 H ASN 60 H ASN 60 -10.369 11.316 2.597 428 HA ASN 60 HA ASN 60 -11.233 10.371 0.029 429 1HB ASN 60 1HB ASN 60 -10.842 12.762 0.580 430 2HB ASN 60 2HB ASN 60 -9.113 12.441 0.751 431 1HD2 ASN 60 1HD2 ASN 60 -8.392 13.734 -0.989 432 2HD2 ASN 60 2HD2 ASN 60 -8.843 13.390 -2.651 433 H LYS 61 H LYS 61 -7.962 10.231 1.625 434 HA LYS 61 HA LYS 61 -6.615 9.018 -0.547 435 1HB LYS 61 1HB LYS 61 -5.681 10.097 1.593 436 2HB LYS 61 2HB LYS 61 -5.976 8.540 2.395 437 1HG LYS 61 1HG LYS 61 -4.597 7.449 0.590 438 2HG LYS 61 2HG LYS 61 -4.296 9.046 -0.097 439 1HD LYS 61 1HD LYS 61 -3.438 8.044 2.646 440 2HD LYS 61 2HD LYS 61 -2.383 8.228 1.258 441 1HE LYS 61 1HE LYS 61 -3.833 10.517 2.676 442 2HE LYS 61 2HE LYS 61 -2.159 10.041 2.967 443 1HZ LYS 61 1HZ LYS 61 -2.255 11.874 1.400 444 2HZ LYS 61 2HZ LYS 61 -1.659 10.562 0.638 445 3HZ LYS 61 3HZ LYS 61 -3.200 11.039 0.367 446 H VAL 62 H VAL 62 -8.409 7.478 2.159 447 HA VAL 62 HA VAL 62 -7.875 4.761 1.341 448 HB VAL 62 HB VAL 62 -10.083 5.982 3.030 449 1HG1 VAL 62 1HG1 VAL 62 -10.556 3.659 3.802 450 2HG1 VAL 62 2HG1 VAL 62 -11.001 3.894 2.115 451 3HG1 VAL 62 3HG1 VAL 62 -9.501 3.027 2.518 452 1HG2 VAL 62 1HG2 VAL 62 -7.645 4.264 3.706 453 2HG2 VAL 62 2HG2 VAL 62 -7.752 6.010 3.963 454 3HG2 VAL 62 3HG2 VAL 62 -8.820 4.930 4.860 455 H ARG 63 H ARG 63 -10.603 6.976 0.528 456 HA ARG 63 HA ARG 63 -12.005 5.124 -1.170 457 1HB ARG 63 1HB ARG 63 -13.215 6.928 -0.463 458 2HB ARG 63 2HB ARG 63 -11.950 8.103 -0.729 459 1HG ARG 63 1HG ARG 63 -13.274 6.821 -3.133 460 2HG ARG 63 2HG ARG 63 -14.128 8.045 -2.191 461 1HD ARG 63 1HD ARG 63 -12.153 9.580 -2.431 462 2HD ARG 63 2HD ARG 63 -11.452 8.432 -3.584 463 HE ARG 63 HE ARG 63 -13.923 8.804 -4.650 464 1HH1 ARG 63 1HH1 ARG 63 -11.560 11.246 -3.607 465 2HH1 ARG 63 2HH1 ARG 63 -12.119 12.364 -4.819 466 1HH2 ARG 63 1HH2 ARG 63 -14.695 10.392 -5.930 467 2HH2 ARG 63 2HH2 ARG 63 -13.829 11.905 -6.102 468 H ARG 64 H ARG 64 -9.383 7.409 -1.958 469 HA ARG 64 HA ARG 64 -9.287 6.759 -4.776 470 1HB ARG 64 1HB ARG 64 -8.381 8.841 -3.778 471 2HB ARG 64 2HB ARG 64 -7.175 7.914 -2.898 472 1HG ARG 64 1HG ARG 64 -6.178 8.988 -4.798 473 2HG ARG 64 2HG ARG 64 -6.090 7.250 -5.027 474 1HD ARG 64 1HD ARG 64 -8.327 8.913 -6.254 475 2HD ARG 64 2HD ARG 64 -6.731 8.801 -7.012 476 HE ARG 64 HE ARG 64 -7.661 6.155 -6.483 477 1HH1 ARG 64 1HH1 ARG 64 -8.394 8.818 -8.647 478 2HH1 ARG 64 2HH1 ARG 64 -8.906 7.761 -9.932 479 1HH2 ARG 64 1HH2 ARG 64 -8.289 4.861 -8.207 480 2HH2 ARG 64 2HH2 ARG 64 -8.857 5.592 -9.678 481 H TYR 65 H TYR 65 -7.468 5.519 -1.966 482 HA TYR 65 HA TYR 65 -5.757 3.717 -3.365 483 1HB TYR 65 1HB TYR 65 -5.288 4.454 -1.113 484 2HB TYR 65 2HB TYR 65 -6.804 3.793 -0.517 485 HD1 TYR 65 HD1 TYR 65 -3.604 2.723 -2.190 486 HD2 TYR 65 HD2 TYR 65 -6.844 1.665 0.456 487 HE1 TYR 65 HE1 TYR 65 -2.469 0.571 -1.660 488 HE2 TYR 65 HE2 TYR 65 -5.705 -0.494 0.977 489 HH TYR 65 HH TYR 65 -2.559 -1.390 -0.477 490 H MET 66 H MET 66 -8.992 3.153 -1.854 491 HA MET 66 HA MET 66 -9.176 0.366 -2.451 492 1HB MET 66 1HB MET 66 -11.253 2.554 -2.052 493 2HB MET 66 2HB MET 66 -11.705 0.877 -2.369 494 1HG MET 66 1HG MET 66 -9.947 1.740 -0.038 495 2HG MET 66 2HG MET 66 -11.686 1.508 0.038 496 1HE MET 66 1HE MET 66 -8.573 0.005 1.144 497 2HE MET 66 2HE MET 66 -8.495 -1.664 0.540 498 3HE MET 66 3HE MET 66 -8.205 -0.309 -0.570 499 H ALA 67 H ALA 67 -10.050 3.213 -4.449 500 HA ALA 67 HA ALA 67 -11.118 1.703 -6.646 501 1HB ALA 67 1HB ALA 67 -9.920 4.506 -6.510 502 2HB ALA 67 2HB ALA 67 -10.868 3.848 -7.864 503 3HB ALA 67 3HB ALA 67 -11.621 4.068 -6.275 504 H ILE 68 H ILE 68 -7.788 2.712 -5.839 505 HA ILE 68 HA ILE 68 -6.606 1.827 -8.369 506 HB ILE 68 HB ILE 68 -5.455 2.613 -5.664 507 1HG1 ILE 68 1HG1 ILE 68 -5.242 4.000 -8.377 508 2HG1 ILE 68 2HG1 ILE 68 -6.519 4.348 -7.224 509 1HG2 ILE 68 1HG2 ILE 68 -3.911 1.870 -8.192 510 2HG2 ILE 68 2HG2 ILE 68 -3.206 2.626 -6.747 511 3HG2 ILE 68 3HG2 ILE 68 -3.866 1.009 -6.635 512 1HD1 ILE 68 1HD1 ILE 68 -4.815 5.017 -5.525 513 2HD1 ILE 68 2HD1 ILE 68 -3.555 4.827 -6.769 514 3HD1 ILE 68 3HD1 ILE 68 -4.832 6.029 -6.983 515 H ASN 69 H ASN 69 -7.047 0.391 -5.137 516 HA ASN 69 HA ASN 69 -5.469 -1.936 -5.479 517 1HB ASN 69 1HB ASN 69 -6.263 -0.991 -3.321 518 2HB ASN 69 2HB ASN 69 -7.917 -1.447 -3.728 519 1HD2 ASN 69 1HD2 ASN 69 -8.534 -3.303 -2.667 520 2HD2 ASN 69 2HD2 ASN 69 -7.440 -4.624 -2.286 521 H GLN 70 H GLN 70 -8.768 -1.305 -6.596 522 HA GLN 70 HA GLN 70 -9.607 -4.001 -6.995 523 1HB GLN 70 1HB GLN 70 -11.103 -2.020 -6.973 524 2HB GLN 70 2HB GLN 70 -10.382 -1.452 -8.479 525 1HG GLN 70 1HG GLN 70 -12.522 -2.499 -8.931 526 2HG GLN 70 2HG GLN 70 -11.247 -3.463 -9.659 527 1HE2 GLN 70 1HE2 GLN 70 -13.844 -3.451 -7.278 528 2HE2 GLN 70 2HE2 GLN 70 -13.636 -5.132 -6.804 529 H GLY 71 H GLY 71 -9.059 -5.514 -8.499 530 1HA GLY 71 1HA GLY 71 -8.413 -5.175 -11.198 531 2HA GLY 71 2HA GLY 71 -6.880 -5.055 -10.336 532 H GLU 72 H GLU 72 -6.383 -6.911 -11.689 533 HA GLU 72 HA GLU 72 -7.584 -9.514 -11.284 534 1HB GLU 72 1HB GLU 72 -5.009 -8.643 -12.646 535 2HB GLU 72 2HB GLU 72 -5.595 -10.305 -12.571 536 1HG GLU 72 1HG GLU 72 -6.217 -9.441 -14.692 537 2HG GLU 72 2HG GLU 72 -7.672 -9.680 -13.733 538 H ASP 73 H ASP 73 -7.543 -9.548 -8.949 539 HA ASP 73 HA ASP 73 -5.290 -9.645 -7.269 540 1HB ASP 73 1HB ASP 73 -7.583 -9.427 -6.487 541 2HB ASP 73 2HB ASP 73 -8.001 -11.019 -7.122 542 H SER 74 H SER 74 -6.493 -12.171 -9.386 543 HA SER 74 HA SER 74 -4.185 -13.932 -8.781 544 1HB SER 74 1HB SER 74 -7.081 -14.896 -8.789 545 2HB SER 74 2HB SER 74 -5.645 -15.928 -8.726 546 HG SER 74 HG SER 74 -6.572 -14.088 -6.773 547 H VAL 75 H VAL 75 -4.019 -15.699 -10.450 548 HA VAL 75 HA VAL 75 -5.171 -15.001 -13.106 549 HB VAL 75 HB VAL 75 -2.921 -15.369 -14.136 550 1HG1 VAL 75 1HG1 VAL 75 -3.840 -13.097 -13.782 551 2HG1 VAL 75 2HG1 VAL 75 -2.996 -13.011 -12.221 552 3HG1 VAL 75 3HG1 VAL 75 -2.070 -13.145 -13.730 553 1HG2 VAL 75 1HG2 VAL 75 -1.796 -15.038 -11.327 554 2HG2 VAL 75 2HG2 VAL 75 -1.778 -16.547 -12.267 555 3HG2 VAL 75 3HG2 VAL 75 -0.888 -15.135 -12.846 556 HA PRO 76 HA PRO 76 -5.611 -19.397 -13.458 557 1HB PRO 76 1HB PRO 76 -5.901 -19.783 -16.133 558 2HB PRO 76 2HB PRO 76 -7.084 -18.845 -15.172 559 1HG PRO 76 1HG PRO 76 -4.769 -17.772 -16.822 560 2HG PRO 76 2HG PRO 76 -6.488 -17.265 -16.876 561 1HD PRO 76 1HD PRO 76 -4.634 -15.926 -15.401 562 2HD PRO 76 2HD PRO 76 -6.315 -16.121 -14.828 563 H ALA 77 H ALA 77 -2.739 -17.910 -14.515 564 HA ALA 77 HA ALA 77 -1.360 -20.002 -15.857 565 1HB ALA 77 1HB ALA 77 0.625 -18.610 -15.357 566 2HB ALA 77 2HB ALA 77 -0.732 -17.612 -15.902 567 3HB ALA 77 3HB ALA 77 -0.319 -17.678 -14.174 568 H LYS 78 H LYS 78 0.679 -21.017 -15.024 569 HA LYS 78 HA LYS 78 0.151 -22.848 -12.910 570 1HB LYS 78 1HB LYS 78 1.619 -23.236 -14.894 571 2HB LYS 78 2HB LYS 78 2.797 -22.105 -14.235 572 1HG LYS 78 1HG LYS 78 3.506 -24.387 -13.868 573 2HG LYS 78 2HG LYS 78 3.200 -23.614 -12.315 574 1HD LYS 78 1HD LYS 78 1.024 -24.790 -12.139 575 2HD LYS 78 2HD LYS 78 1.265 -25.493 -13.756 576 1HE LYS 78 1HE LYS 78 3.322 -26.629 -12.936 577 2HE LYS 78 2HE LYS 78 3.071 -25.928 -11.331 578 1HZ LYS 78 1HZ LYS 78 0.968 -27.157 -11.197 579 2HZ LYS 78 2HZ LYS 78 1.200 -27.805 -12.681 580 3HZ LYS 78 3HZ LYS 78 2.202 -28.192 -11.454 581 H LYS 79 H LYS 79 1.847 -19.776 -12.826 582 HA LYS 79 HA LYS 79 3.108 -20.081 -10.244 583 1HB LYS 79 1HB LYS 79 3.612 -17.724 -10.412 584 2HB LYS 79 2HB LYS 79 3.907 -18.512 -11.955 585 1HG LYS 79 1HG LYS 79 1.742 -17.618 -12.824 586 2HG LYS 79 2HG LYS 79 1.459 -16.814 -11.267 587 1HD LYS 79 1HD LYS 79 3.550 -15.504 -11.568 588 2HD LYS 79 2HD LYS 79 3.823 -16.306 -13.131 589 1HE LYS 79 1HE LYS 79 1.659 -15.399 -13.965 590 2HE LYS 79 2HE LYS 79 1.402 -14.591 -12.411 591 1HZ LYS 79 1HZ LYS 79 2.362 -13.073 -14.048 592 2HZ LYS 79 2HZ LYS 79 3.423 -13.290 -12.829 593 3HZ LYS 79 3HZ LYS 79 3.661 -14.035 -14.263 594 H PHE 80 H PHE 80 2.676 -18.511 -8.422 595 HA PHE 80 HA PHE 80 -0.195 -18.024 -7.868 596 1HB PHE 80 1HB PHE 80 0.389 -20.359 -7.134 597 2HB PHE 80 2HB PHE 80 1.592 -19.682 -6.045 598 HD1 PHE 80 HD1 PHE 80 -2.075 -19.366 -6.901 599 HD2 PHE 80 HD2 PHE 80 0.931 -19.272 -3.805 600 HE1 PHE 80 HE1 PHE 80 -3.844 -19.036 -5.189 601 HE2 PHE 80 HE2 PHE 80 -0.844 -18.954 -2.097 602 HZ PHE 80 HZ PHE 80 -3.231 -18.829 -2.786 603 H LYS 81 H LYS 81 -0.395 -17.036 -5.596 604 HA LYS 81 HA LYS 81 0.727 -14.453 -5.535 605 1HB LYS 81 1HB LYS 81 -0.516 -16.118 -3.301 606 2HB LYS 81 2HB LYS 81 -0.263 -14.374 -3.233 607 1HG LYS 81 1HG LYS 81 -1.824 -14.012 -5.082 608 2HG LYS 81 2HG LYS 81 -2.059 -15.761 -5.279 609 1HD LYS 81 1HD LYS 81 -2.939 -15.939 -2.992 610 2HD LYS 81 2HD LYS 81 -2.710 -14.209 -2.730 611 1HE LYS 81 1HE LYS 81 -4.528 -15.411 -4.875 612 2HE LYS 81 2HE LYS 81 -5.065 -14.933 -3.262 613 1HZ LYS 81 1HZ LYS 81 -5.506 -13.131 -4.709 614 2HZ LYS 81 2HZ LYS 81 -4.239 -12.650 -3.808 615 3HZ LYS 81 3HZ LYS 81 -4.031 -13.125 -5.372 616 H ALA 82 H ALA 82 2.076 -13.399 -4.071 617 HA ALA 82 HA ALA 82 4.556 -14.728 -3.385 618 1HB ALA 82 1HB ALA 82 3.507 -11.937 -2.722 619 2HB ALA 82 2HB ALA 82 5.197 -12.473 -2.619 620 3HB ALA 82 3HB ALA 82 4.399 -12.386 -4.195 621 H ALA 83 H ALA 83 5.538 -14.231 -1.135 622 HA ALA 83 HA ALA 83 3.657 -14.609 1.123 623 1HB ALA 83 1HB ALA 83 5.995 -16.459 0.458 624 2HB ALA 83 2HB ALA 83 5.013 -16.538 1.932 625 3HB ALA 83 3HB ALA 83 4.269 -16.874 0.359 626 HA PRO 84 HA PRO 84 6.490 -11.807 3.078 627 1HB PRO 84 1HB PRO 84 6.083 -12.253 5.745 628 2HB PRO 84 2HB PRO 84 4.834 -11.548 4.676 629 1HG PRO 84 1HG PRO 84 5.137 -14.450 5.518 630 2HG PRO 84 2HG PRO 84 3.663 -13.429 5.582 631 1HD PRO 84 1HD PRO 84 4.146 -15.130 3.514 632 2HD PRO 84 2HD PRO 84 3.370 -13.541 3.245 633 H ALA 85 H ALA 85 8.382 -11.595 4.416 634 HA ALA 85 HA ALA 85 9.943 -14.062 5.011 635 1HB ALA 85 1HB ALA 85 11.877 -13.126 3.817 636 2HB ALA 85 2HB ALA 85 10.500 -13.295 2.717 637 3HB ALA 85 3HB ALA 85 10.929 -11.693 3.360 638 H GLU 86 H GLU 86 8.561 -11.745 6.569 639 HA GLU 86 HA GLU 86 10.705 -10.345 7.941 640 1HB GLU 86 1HB GLU 86 7.755 -10.648 8.642 641 2HB GLU 86 2HB GLU 86 8.865 -9.487 9.364 642 1HG GLU 86 1HG GLU 86 7.959 -9.540 6.456 643 2HG GLU 86 2HG GLU 86 7.437 -8.418 7.701 644 H ILE 87 H ILE 87 9.904 -13.505 8.183 645 HA ILE 87 HA ILE 87 10.913 -13.778 10.975 646 HB ILE 87 HB ILE 87 8.741 -15.566 9.791 647 1HG1 ILE 87 1HG1 ILE 87 7.413 -14.464 11.841 648 2HG1 ILE 87 2HG1 ILE 87 8.441 -13.084 11.494 649 1HG2 ILE 87 1HG2 ILE 87 8.580 -16.412 12.101 650 2HG2 ILE 87 2HG2 ILE 87 10.216 -16.616 11.488 651 3HG2 ILE 87 3HG2 ILE 87 9.858 -15.292 12.618 652 1HD1 ILE 87 1HD1 ILE 87 6.260 -12.934 10.352 653 2HD1 ILE 87 2HD1 ILE 87 7.527 -13.090 9.128 654 3HD1 ILE 87 3HD1 ILE 87 6.534 -14.496 9.559 655 H SER 88 H SER 88 12.659 -15.110 11.056 656 HA SER 88 HA SER 88 13.925 -16.109 8.725 657 1HB SER 88 1HB SER 88 15.445 -17.253 10.353 658 2HB SER 88 2HB SER 88 15.212 -15.522 10.648 659 HG SER 88 HG SER 88 15.054 -16.769 12.580 660 H ASP 89 H ASP 89 11.865 -17.805 11.071 661 HA ASP 89 HA ASP 89 12.284 -20.470 10.034 662 1HB ASP 89 1HB ASP 89 11.510 -20.009 12.314 663 2HB ASP 89 2HB ASP 89 10.044 -19.245 11.695 664 H GLY 90 H GLY 90 9.815 -17.976 9.395 665 1HA GLY 90 1HA GLY 90 8.515 -17.579 7.548 666 2HA GLY 90 2HA GLY 90 9.256 -18.955 6.742 667 H GLU 91 H GLU 91 8.041 -20.433 9.437 668 HA GLU 91 HA GLU 91 5.268 -20.761 8.336 669 1HB GLU 91 1HB GLU 91 7.146 -22.988 9.216 670 2HB GLU 91 2HB GLU 91 5.488 -23.179 8.644 671 1HG GLU 91 1HG GLU 91 6.155 -22.227 6.435 672 2HG GLU 91 2HG GLU 91 7.834 -22.174 6.979 673 H ASP 92 H ASP 92 6.834 -19.698 10.943 674 HA ASP 92 HA ASP 92 6.054 -20.989 13.241 675 1HB ASP 92 1HB ASP 92 7.651 -19.113 13.004 676 2HB ASP 92 2HB ASP 92 6.308 -18.001 12.748 677 H ARG 93 H ARG 93 3.832 -19.320 11.188 678 HA ARG 93 HA ARG 93 1.558 -19.976 12.866 679 1HB ARG 93 1HB ARG 93 2.123 -17.107 11.962 680 2HB ARG 93 2HB ARG 93 0.536 -17.676 12.464 681 1HG ARG 93 1HG ARG 93 3.004 -17.542 14.234 682 2HG ARG 93 2HG ARG 93 1.633 -16.442 14.249 683 1HD ARG 93 1HD ARG 93 0.120 -18.306 14.890 684 2HD ARG 93 2HD ARG 93 1.490 -19.412 14.956 685 HE ARG 93 HE ARG 93 0.740 -17.393 16.919 686 1HH1 ARG 93 1HH1 ARG 93 3.485 -19.280 15.799 687 2HH1 ARG 93 2HH1 ARG 93 4.389 -18.965 17.248 688 1HH2 ARG 93 1HH2 ARG 93 1.914 -17.150 18.790 689 2HH2 ARG 93 2HH2 ARG 93 3.469 -17.911 18.946 690 H SER 94 H SER 94 -0.344 -19.840 11.666 691 HA SER 94 HA SER 94 -1.735 -20.301 9.930 692 1HB SER 94 1HB SER 94 0.348 -19.167 8.045 693 2HB SER 94 2HB SER 94 -1.339 -19.532 7.670 694 HG SER 94 HG SER 94 -1.008 -17.311 8.216 695 H LYS 95 H LYS 95 1.156 -21.865 10.310 696 HA LYS 95 HA LYS 95 0.244 -24.253 8.754 697 1HB LYS 95 1HB LYS 95 3.018 -23.066 8.676 698 2HB LYS 95 2HB LYS 95 2.624 -24.733 8.227 699 1HG LYS 95 1HG LYS 95 0.826 -23.736 6.642 700 2HG LYS 95 2HG LYS 95 1.595 -22.170 6.950 701 1HD LYS 95 1HD LYS 95 2.549 -22.963 4.960 702 2HD LYS 95 2HD LYS 95 3.775 -23.231 6.219 703 1HE LYS 95 1HE LYS 95 2.971 -25.630 6.375 704 2HE LYS 95 2HE LYS 95 1.875 -25.309 5.024 705 1HZ LYS 95 1HZ LYS 95 4.840 -25.108 4.953 706 2HZ LYS 95 2HZ LYS 95 3.960 -26.305 4.268 707 3HZ LYS 95 3HZ LYS 95 3.861 -24.784 3.674 708 H CYS 96 H CYS 96 1.717 -22.953 11.657 709 HA CYS 96 HA CYS 96 1.284 -25.503 12.990 710 1HB CYS 96 1HB CYS 96 3.477 -25.862 13.789 711 2HB CYS 96 2HB CYS 96 3.685 -25.543 12.067 712 HG CYS 96 HG CYS 96 5.656 -24.448 13.385 713 H CYS 97 H CYS 97 1.830 -25.325 15.335 714 HA CYS 97 HA CYS 97 1.346 -22.642 16.509 715 1HB CYS 97 1HB CYS 97 -0.873 -23.603 16.076 716 2HB CYS 97 2HB CYS 97 -0.432 -25.057 16.973 717 HA PRO 98 HA PRO 98 4.405 -25.142 18.903 718 1HB PRO 98 1HB PRO 98 5.910 -23.069 19.913 719 2HB PRO 98 2HB PRO 98 6.103 -23.725 18.260 720 1HG PRO 98 1HG PRO 98 4.520 -21.290 19.123 721 2HG PRO 98 2HG PRO 98 5.690 -21.430 17.772 722 1HD PRO 98 1HD PRO 98 3.003 -21.617 17.386 723 2HD PRO 98 2HD PRO 98 4.145 -22.617 16.437 724 H VAL 99 H VAL 99 2.225 -22.586 19.952 725 HA VAL 99 HA VAL 99 2.524 -22.845 22.796 726 HB VAL 99 HB VAL 99 -0.021 -22.111 21.287 727 1HG1 VAL 99 1HG1 VAL 99 -0.462 -20.721 23.317 728 2HG1 VAL 99 2HG1 VAL 99 -0.410 -22.439 23.691 729 3HG1 VAL 99 3HG1 VAL 99 0.985 -21.411 24.084 730 1HG2 VAL 99 1HG2 VAL 99 2.294 -20.316 22.137 731 2HG2 VAL 99 2HG2 VAL 99 1.772 -20.644 20.468 732 3HG2 VAL 99 3HG2 VAL 99 0.714 -19.746 21.555 733 H CYS 100 H CYS 100 0.777 -24.735 20.414 734 HA CYS 100 HA CYS 100 -0.327 -26.587 22.497 735 1HB CYS 100 1HB CYS 100 -1.123 -26.065 19.606 736 2HB CYS 100 2HB CYS 100 -1.860 -27.231 20.686 737 H ASN 101 H ASN 101 2.038 -26.305 20.140 738 HA ASN 101 HA ASN 101 3.478 -27.555 19.027 739 1HB ASN 101 1HB ASN 101 4.057 -28.273 21.339 740 2HB ASN 101 2HB ASN 101 2.978 -29.659 21.165 741 1HD2 ASN 101 1HD2 ASN 101 4.729 -31.154 21.462 742 2HD2 ASN 101 2HD2 ASN 101 5.931 -31.381 20.199 743 H MET 102 H MET 102 1.526 -27.374 17.571 744 HA MET 102 HA MET 102 1.021 -30.040 16.308 745 1HB MET 102 1HB MET 102 -1.103 -27.911 16.814 746 2HB MET 102 2HB MET 102 -1.320 -29.373 15.846 747 1HG MET 102 1HG MET 102 -0.661 -30.700 17.929 748 2HG MET 102 2HG MET 102 -0.877 -29.199 18.831 749 1HE MET 102 1HE MET 102 -3.232 -27.889 18.973 750 2HE MET 102 2HE MET 102 -3.465 -27.917 17.208 751 3HE MET 102 3HE MET 102 -4.746 -28.510 18.284 752 H THR 103 H THR 103 0.101 -29.836 14.097 753 HA THR 103 HA THR 103 1.027 -27.467 12.548 754 HB THR 103 HB THR 103 1.772 -29.011 10.757 755 HG1 THR 103 HG1 THR 103 2.185 -31.159 11.339 756 1HG2 THR 103 1HG2 THR 103 3.265 -29.410 13.387 757 2HG2 THR 103 2HG2 THR 103 3.922 -29.602 11.747 758 3HG2 THR 103 3HG2 THR 103 3.420 -28.003 12.313 759 H PHE 104 H PHE 104 0.004 -27.185 10.493 760 HA PHE 104 HA PHE 104 -2.677 -28.484 10.220 761 1HB PHE 104 1HB PHE 104 -2.202 -25.542 9.715 762 2HB PHE 104 2HB PHE 104 -3.721 -26.392 9.898 763 HD1 PHE 104 HD1 PHE 104 -1.366 -24.310 11.524 764 HD2 PHE 104 HD2 PHE 104 -4.087 -27.566 12.291 765 HE1 PHE 104 HE1 PHE 104 -1.372 -23.737 13.927 766 HE2 PHE 104 HE2 PHE 104 -4.052 -27.017 14.714 767 HZ PHE 104 HZ PHE 104 -2.668 -25.129 15.539 768 H SER 105 H SER 105 -3.514 -28.695 8.154 769 HA SER 105 HA SER 105 -1.604 -28.874 5.970 770 1HB SER 105 1HB SER 105 -3.587 -29.748 4.736 771 2HB SER 105 2HB SER 105 -3.283 -30.583 6.270 772 HG SER 105 HG SER 105 -5.507 -30.039 5.989 773 H SER 106 H SER 106 -3.769 -26.361 7.000 774 HA SER 106 HA SER 106 -3.137 -24.706 4.658 775 1HB SER 106 1HB SER 106 -5.035 -25.879 3.774 776 2HB SER 106 2HB SER 106 -5.926 -25.735 5.296 777 HG SER 106 HG SER 106 -6.544 -24.254 3.560 778 HA PRO 107 HA PRO 107 -3.454 -21.431 7.748 779 1HB PRO 107 1HB PRO 107 -4.726 -19.862 5.504 780 2HB PRO 107 2HB PRO 107 -3.439 -19.357 6.639 781 1HG PRO 107 1HG PRO 107 -2.806 -20.095 4.114 782 2HG PRO 107 2HG PRO 107 -1.811 -20.692 5.485 783 1HD PRO 107 1HD PRO 107 -4.020 -22.133 4.000 784 2HD PRO 107 2HD PRO 107 -2.405 -22.729 4.489 785 H VAL 108 H VAL 108 -6.268 -22.294 5.751 786 HA VAL 108 HA VAL 108 -8.310 -20.978 7.288 787 HB VAL 108 HB VAL 108 -8.503 -23.501 5.595 788 1HG1 VAL 108 1HG1 VAL 108 -10.497 -23.253 7.015 789 2HG1 VAL 108 2HG1 VAL 108 -10.659 -21.551 6.527 790 3HG1 VAL 108 3HG1 VAL 108 -10.896 -22.857 5.344 791 1HG2 VAL 108 1HG2 VAL 108 -7.648 -21.610 4.259 792 2HG2 VAL 108 2HG2 VAL 108 -9.318 -21.963 3.817 793 3HG2 VAL 108 3HG2 VAL 108 -8.957 -20.572 4.864 794 H VAL 109 H VAL 109 -6.749 -24.161 7.604 795 HA VAL 109 HA VAL 109 -8.438 -25.070 9.816 796 HB VAL 109 HB VAL 109 -5.722 -26.076 8.860 797 1HG1 VAL 109 1HG1 VAL 109 -6.334 -28.168 10.034 798 2HG1 VAL 109 2HG1 VAL 109 -6.194 -26.821 11.166 799 3HG1 VAL 109 3HG1 VAL 109 -7.801 -27.388 10.665 800 1HG2 VAL 109 1HG2 VAL 109 -8.534 -27.081 8.242 801 2HG2 VAL 109 2HG2 VAL 109 -7.432 -26.297 7.090 802 3HG2 VAL 109 3HG2 VAL 109 -7.018 -27.874 7.762 803 H ALA 110 H ALA 110 -5.234 -23.511 9.464 804 HA ALA 110 HA ALA 110 -4.482 -23.553 12.204 805 1HB ALA 110 1HB ALA 110 -2.998 -23.051 10.238 806 2HB ALA 110 2HB ALA 110 -3.776 -21.462 10.105 807 3HB ALA 110 3HB ALA 110 -2.859 -21.876 11.565 808 H GLU 111 H GLU 111 -6.181 -20.899 10.371 809 HA GLU 111 HA GLU 111 -6.491 -19.253 12.701 810 1HB GLU 111 1HB GLU 111 -7.961 -17.900 11.469 811 2HB GLU 111 2HB GLU 111 -6.642 -18.392 10.408 812 1HG GLU 111 1HG GLU 111 -8.164 -20.060 9.357 813 2HG GLU 111 2HG GLU 111 -9.481 -19.497 10.386 814 H SER 112 H SER 112 -8.606 -21.721 11.307 815 HA SER 112 HA SER 112 -10.834 -21.413 13.075 816 1HB SER 112 1HB SER 112 -9.804 -23.954 11.747 817 2HB SER 112 2HB SER 112 -11.375 -23.761 12.542 818 HG SER 112 HG SER 112 -10.412 -22.567 10.167 819 H HIS 113 H HIS 113 -7.771 -23.228 13.470 820 HA HIS 113 HA HIS 113 -8.476 -24.397 16.027 821 1HB HIS 113 1HB HIS 113 -6.750 -25.474 14.803 822 2HB HIS 113 2HB HIS 113 -5.871 -23.974 14.528 823 HD1 HIS 113 HD1 HIS 113 -6.620 -26.374 17.479 824 HD2 HIS 113 HD2 HIS 113 -4.222 -23.104 16.373 825 HE1 HIS 113 HE1 HIS 113 -5.008 -25.962 19.423 826 H TYR 114 H TYR 114 -6.523 -21.457 15.138 827 HA TYR 114 HA TYR 114 -5.863 -20.673 17.753 828 1HB TYR 114 1HB TYR 114 -6.468 -18.830 15.425 829 2HB TYR 114 2HB TYR 114 -5.559 -18.411 16.865 830 HD1 TYR 114 HD1 TYR 114 -4.838 -18.279 13.803 831 HD2 TYR 114 HD2 TYR 114 -3.746 -20.907 17.048 832 HE1 TYR 114 HE1 TYR 114 -2.748 -18.893 12.603 833 HE2 TYR 114 HE2 TYR 114 -1.649 -21.493 15.856 834 HH TYR 114 HH TYR 114 -0.394 -21.241 13.928 835 H ILE 115 H ILE 115 -8.942 -20.033 16.051 836 HA ILE 115 HA ILE 115 -9.900 -18.371 18.298 837 HB ILE 115 HB ILE 115 -11.897 -17.980 17.018 838 1HG1 ILE 115 1HG1 ILE 115 -11.937 -18.672 14.557 839 2HG1 ILE 115 2HG1 ILE 115 -10.811 -19.952 14.977 840 1HG2 ILE 115 1HG2 ILE 115 -10.897 -16.667 15.257 841 2HG2 ILE 115 2HG2 ILE 115 -9.845 -16.632 16.678 842 3HG2 ILE 115 3HG2 ILE 115 -9.422 -17.650 15.284 843 1HD1 ILE 115 1HD1 ILE 115 -13.565 -19.615 16.231 844 2HD1 ILE 115 2HD1 ILE 115 -13.209 -20.648 14.833 845 3HD1 ILE 115 3HD1 ILE 115 -12.482 -21.021 16.395 846 H GLY 116 H GLY 116 -9.716 -21.675 17.893 847 1HA GLY 116 1HA GLY 116 -12.306 -22.352 19.143 848 2HA GLY 116 2HA GLY 116 -11.072 -23.467 18.573 849 H LYS 117 H LYS 117 -12.438 -23.704 21.042 850 HA LYS 117 HA LYS 117 -10.956 -22.671 23.250 851 1HB LYS 117 1HB LYS 117 -12.771 -25.110 23.121 852 2HB LYS 117 2HB LYS 117 -12.090 -24.417 24.602 853 1HG LYS 117 1HG LYS 117 -13.148 -22.181 23.909 854 2HG LYS 117 2HG LYS 117 -14.046 -23.097 22.682 855 1HD LYS 117 1HD LYS 117 -14.950 -24.560 24.522 856 2HD LYS 117 2HD LYS 117 -14.098 -23.530 25.702 857 1HE LYS 117 1HE LYS 117 -15.374 -21.558 24.901 858 2HE LYS 117 2HE LYS 117 -16.213 -22.570 23.718 859 1HZ LYS 117 1HZ LYS 117 -17.161 -23.840 25.573 860 2HZ LYS 117 2HZ LYS 117 -16.384 -22.906 26.668 861 3HZ LYS 117 3HZ LYS 117 -17.548 -22.263 25.723 862 H THR 118 H THR 118 -10.172 -25.414 21.226 863 HA THR 118 HA THR 118 -8.410 -26.829 22.964 864 HB THR 118 HB THR 118 -7.998 -26.376 19.983 865 HG1 THR 118 HG1 THR 118 -9.601 -28.338 21.261 866 1HG2 THR 118 1HG2 THR 118 -7.308 -28.731 21.799 867 2HG2 THR 118 2HG2 THR 118 -7.119 -28.698 20.031 868 3HG2 THR 118 3HG2 THR 118 -6.154 -27.613 21.042 869 H HIS 119 H HIS 119 -7.846 -23.934 20.927 870 HA HIS 119 HA HIS 119 -5.024 -23.686 21.582 871 1HB HIS 119 1HB HIS 119 -6.141 -22.761 19.548 872 2HB HIS 119 2HB HIS 119 -6.984 -21.590 20.562 873 HD2 HIS 119 HD2 HIS 119 -5.730 -19.322 20.821 874 HE1 HIS 119 HE1 HIS 119 -1.797 -20.553 19.720 875 HE2 HIS 119 HE2 HIS 119 -3.252 -18.557 20.339 876 H ILE 120 H ILE 120 -8.017 -22.143 22.784 877 HA ILE 120 HA ILE 120 -6.823 -20.403 24.691 878 HB ILE 120 HB ILE 120 -9.594 -21.585 24.498 879 1HG1 ILE 120 1HG1 ILE 120 -8.387 -18.867 23.762 880 2HG1 ILE 120 2HG1 ILE 120 -8.798 -20.138 22.623 881 1HG2 ILE 120 1HG2 ILE 120 -8.680 -19.327 26.325 882 2HG2 ILE 120 2HG2 ILE 120 -10.362 -19.856 26.061 883 3HG2 ILE 120 3HG2 ILE 120 -9.234 -20.938 26.846 884 1HD1 ILE 120 1HD1 ILE 120 -10.536 -18.518 22.513 885 2HD1 ILE 120 2HD1 ILE 120 -11.207 -19.964 23.294 886 3HD1 ILE 120 3HD1 ILE 120 -10.779 -18.531 24.265 887 H LYS 121 H LYS 121 -7.859 -23.802 25.092 888 HA LYS 121 HA LYS 121 -7.367 -24.026 27.905 889 1HB LYS 121 1HB LYS 121 -8.549 -25.691 26.464 890 2HB LYS 121 2HB LYS 121 -7.009 -26.120 25.707 891 1HG LYS 121 1HG LYS 121 -6.142 -26.890 27.900 892 2HG LYS 121 2HG LYS 121 -7.667 -26.403 28.676 893 1HD LYS 121 1HD LYS 121 -8.887 -27.993 27.212 894 2HD LYS 121 2HD LYS 121 -7.350 -28.530 26.517 895 1HE LYS 121 1HE LYS 121 -8.112 -28.711 29.472 896 2HE LYS 121 2HE LYS 121 -8.303 -30.026 28.312 897 1HZ LYS 121 1HZ LYS 121 -5.889 -29.995 27.964 898 2HZ LYS 121 2HZ LYS 121 -5.705 -28.803 29.073 899 3HZ LYS 121 3HZ LYS 121 -6.242 -30.272 29.530 900 H ASN 122 H ASN 122 -5.175 -24.239 25.123 901 HA ASN 122 HA ASN 122 -2.822 -24.832 26.747 902 1HB ASN 122 1HB ASN 122 -3.251 -24.173 23.824 903 2HB ASN 122 2HB ASN 122 -1.646 -24.312 24.537 904 1HD2 ASN 122 1HD2 ASN 122 -4.541 -26.184 23.629 905 2HD2 ASN 122 2HD2 ASN 122 -3.753 -27.729 23.907 906 H LEU 123 H LEU 123 -4.352 -21.801 25.569 907 HA LEU 123 HA LEU 123 -2.159 -20.043 26.215 908 1HB LEU 123 1HB LEU 123 -5.137 -19.454 26.549 909 2HB LEU 123 2HB LEU 123 -3.840 -18.282 26.532 910 HG LEU 123 HG LEU 123 -4.753 -19.939 24.157 911 1HD1 LEU 123 1HD1 LEU 123 -6.312 -18.136 24.907 912 2HD1 LEU 123 2HD1 LEU 123 -4.994 -16.962 24.731 913 3HD1 LEU 123 3HD1 LEU 123 -5.613 -17.829 23.308 914 1HD2 LEU 123 1HD2 LEU 123 -2.388 -19.478 23.901 915 2HD2 LEU 123 2HD2 LEU 123 -3.338 -18.440 22.828 916 3HD2 LEU 123 3HD2 LEU 123 -2.647 -17.761 24.320 917 H ARG 124 H ARG 124 -4.922 -21.214 28.170 918 HA ARG 124 HA ARG 124 -4.177 -20.011 30.668 919 1HB ARG 124 1HB ARG 124 -5.812 -22.516 30.068 920 2HB ARG 124 2HB ARG 124 -5.672 -21.763 31.664 921 1HG ARG 124 1HG ARG 124 -6.631 -19.659 30.787 922 2HG ARG 124 2HG ARG 124 -6.782 -20.377 29.177 923 1HD ARG 124 1HD ARG 124 -8.282 -22.127 30.096 924 2HD ARG 124 2HD ARG 124 -8.186 -21.382 31.691 925 HE ARG 124 HE ARG 124 -9.725 -20.475 29.367 926 1HH1 ARG 124 1HH1 ARG 124 -8.442 -19.377 32.442 927 2HH1 ARG 124 2HH1 ARG 124 -9.568 -18.050 32.535 928 1HH2 ARG 124 1HH2 ARG 124 -11.122 -18.764 29.554 929 2HH2 ARG 124 2HH2 ARG 124 -11.041 -17.722 30.943 930 H LEU 125 H LEU 125 -3.270 -23.137 29.264 931 HA LEU 125 HA LEU 125 -1.797 -24.141 31.490 932 1HB LEU 125 1HB LEU 125 -2.723 -25.432 29.551 933 2HB LEU 125 2HB LEU 125 -1.472 -24.733 28.525 934 HG LEU 125 HG LEU 125 0.277 -25.912 29.765 935 1HD1 LEU 125 1HD1 LEU 125 -0.340 -27.649 31.444 936 2HD1 LEU 125 2HD1 LEU 125 -0.687 -26.018 32.024 937 3HD1 LEU 125 3HD1 LEU 125 -2.015 -27.047 31.433 938 1HD2 LEU 125 1HD2 LEU 125 -2.028 -27.732 28.973 939 2HD2 LEU 125 2HD2 LEU 125 -0.838 -27.012 27.866 940 3HD2 LEU 125 3HD2 LEU 125 -0.312 -28.185 29.084 941 H ARG 126 H ARG 126 -0.958 -21.551 29.397 942 HA ARG 126 HA ARG 126 1.949 -21.666 30.198 943 1HB ARG 126 1HB ARG 126 0.623 -20.125 27.933 944 2HB ARG 126 2HB ARG 126 2.335 -20.100 28.330 945 1HG ARG 126 1HG ARG 126 0.804 -22.533 27.303 946 2HG ARG 126 2HG ARG 126 1.815 -21.459 26.354 947 1HD ARG 126 1HD ARG 126 3.086 -23.394 26.749 948 2HD ARG 126 2HD ARG 126 3.784 -22.126 27.774 949 HE ARG 126 HE ARG 126 1.879 -23.484 29.349 950 1HH1 ARG 126 1HH1 ARG 126 4.907 -24.419 27.852 951 2HH1 ARG 126 2HH1 ARG 126 5.241 -25.593 29.097 952 1HH2 ARG 126 1HH2 ARG 126 2.353 -24.880 30.868 953 2HH2 ARG 126 2HH2 ARG 126 3.798 -25.867 30.788 954 H GLU 127 H GLU 127 -0.968 -19.700 30.263 955 HA GLU 127 HA GLU 127 0.166 -17.354 31.492 956 1HB GLU 127 1HB GLU 127 -2.066 -17.540 30.328 957 2HB GLU 127 2HB GLU 127 -2.640 -18.532 31.671 958 1HG GLU 127 1HG GLU 127 -2.109 -16.519 33.197 959 2HG GLU 127 2HG GLU 127 -1.849 -15.595 31.720 960 H GLN 128 H GLN 128 -1.161 -20.402 32.799 961 HA GLN 128 HA GLN 128 -0.231 -19.706 35.559 962 1HB GLN 128 1HB GLN 128 -2.884 -20.985 34.768 963 2HB GLN 128 2HB GLN 128 -2.294 -20.751 36.419 964 1HG GLN 128 1HG GLN 128 -2.349 -18.286 36.099 965 2HG GLN 128 2HG GLN 128 -2.904 -18.511 34.439 966 1HE2 GLN 128 1HE2 GLN 128 -5.012 -17.778 34.385 967 2HE2 GLN 128 2HE2 GLN 128 -6.236 -18.311 35.546 Start of MODEL 12 1 1H ALA 2 1H ALA 2 -35.275 2.182 -0.181 2 HA ALA 2 HA ALA 2 -34.481 2.794 2.626 3 1HB ALA 2 1HB ALA 2 -33.040 3.818 0.139 4 2HB ALA 2 2HB ALA 2 -32.670 4.251 1.823 5 3HB ALA 2 3HB ALA 2 -32.417 2.589 1.264 6 H ASP 3 H ASP 3 -36.880 3.235 0.627 7 HA ASP 3 HA ASP 3 -37.201 6.101 0.431 8 1HB ASP 3 1HB ASP 3 -38.063 4.392 -1.183 9 2HB ASP 3 2HB ASP 3 -39.217 3.857 0.037 10 H GLU 4 H GLU 4 -36.671 5.635 3.065 11 HA GLU 4 HA GLU 4 -39.069 6.698 4.434 12 1HB GLU 4 1HB GLU 4 -39.182 4.168 4.626 13 2HB GLU 4 2HB GLU 4 -37.633 4.209 5.458 14 1HG GLU 4 1HG GLU 4 -39.320 4.015 7.117 15 2HG GLU 4 2HG GLU 4 -38.694 5.648 7.247 16 H PHE 5 H PHE 5 -35.639 5.637 4.824 17 HA PHE 5 HA PHE 5 -34.911 8.204 6.030 18 1HB PHE 5 1HB PHE 5 -35.781 6.886 7.962 19 2HB PHE 5 2HB PHE 5 -34.653 5.594 7.588 20 HD1 PHE 5 HD1 PHE 5 -32.440 5.639 8.503 21 HD2 PHE 5 HD2 PHE 5 -34.837 9.228 8.521 22 HE1 PHE 5 HE1 PHE 5 -30.718 6.785 9.877 23 HE2 PHE 5 HE2 PHE 5 -33.109 10.370 9.895 24 HZ PHE 5 HZ PHE 5 -31.048 9.152 10.572 25 H GLY 6 H GLY 6 -32.636 8.521 6.173 26 1HA GLY 6 1HA GLY 6 -30.598 6.666 5.586 27 2HA GLY 6 2HA GLY 6 -31.045 7.446 4.064 28 H ASN 7 H ASN 7 -28.534 7.779 4.856 29 HA ASN 7 HA ASN 7 -28.353 10.656 5.579 30 1HB ASN 7 1HB ASN 7 -26.620 10.252 7.228 31 2HB ASN 7 2HB ASN 7 -28.063 9.355 7.665 32 1HD2 ASN 7 1HD2 ASN 7 -24.786 9.037 6.297 33 2HD2 ASN 7 2HD2 ASN 7 -24.635 7.326 6.680 34 H GLY 8 H GLY 8 -27.831 8.750 3.127 35 1HA GLY 8 1HA GLY 8 -26.590 9.100 1.205 36 2HA GLY 8 2HA GLY 8 -25.615 10.305 2.032 37 H ASP 9 H ASP 9 -24.376 8.739 0.307 38 HA ASP 9 HA ASP 9 -22.578 7.033 1.945 39 1HB ASP 9 1HB ASP 9 -22.719 5.181 0.518 40 2HB ASP 9 2HB ASP 9 -24.384 5.630 0.842 41 H ALA 10 H ALA 10 -22.601 9.693 0.169 42 HA ALA 10 HA ALA 10 -20.536 9.260 -1.801 43 1HB ALA 10 1HB ALA 10 -22.366 10.920 -2.005 44 2HB ALA 10 2HB ALA 10 -21.699 11.822 -0.623 45 3HB ALA 10 3HB ALA 10 -20.774 11.682 -2.134 46 H LEU 11 H LEU 11 -19.968 8.994 1.364 47 HA LEU 11 HA LEU 11 -17.243 10.154 1.219 48 1HB LEU 11 1HB LEU 11 -18.719 11.848 2.278 49 2HB LEU 11 2HB LEU 11 -19.261 10.646 3.446 50 HG LEU 11 HG LEU 11 -16.897 10.484 4.311 51 1HD1 LEU 11 1HD1 LEU 11 -16.444 12.856 2.456 52 2HD1 LEU 11 2HD1 LEU 11 -15.335 12.339 3.743 53 3HD1 LEU 11 3HD1 LEU 11 -15.632 11.278 2.365 54 1HD2 LEU 11 1HD2 LEU 11 -18.175 13.249 4.320 55 2HD2 LEU 11 2HD2 LEU 11 -18.596 11.889 5.390 56 3HD2 LEU 11 3HD2 LEU 11 -17.006 12.639 5.510 57 H ASP 12 H ASP 12 -15.889 8.563 1.624 58 HA ASP 12 HA ASP 12 -16.653 6.131 3.076 59 1HB ASP 12 1HB ASP 12 -14.093 6.948 1.650 60 2HB ASP 12 2HB ASP 12 -14.358 5.379 2.416 61 H LEU 13 H LEU 13 -17.020 7.680 5.046 62 HA LEU 13 HA LEU 13 -14.630 7.394 6.776 63 1HB LEU 13 1HB LEU 13 -16.308 9.906 6.434 64 2HB LEU 13 2HB LEU 13 -15.421 9.591 7.913 65 HG LEU 13 HG LEU 13 -14.149 9.881 5.167 66 1HD1 LEU 13 1HD1 LEU 13 -13.230 11.979 6.227 67 2HD1 LEU 13 2HD1 LEU 13 -14.986 11.995 6.056 68 3HD1 LEU 13 3HD1 LEU 13 -14.260 11.672 7.634 69 1HD2 LEU 13 1HD2 LEU 13 -12.926 9.489 7.934 70 2HD2 LEU 13 2HD2 LEU 13 -12.762 8.389 6.548 71 3HD2 LEU 13 3HD2 LEU 13 -12.008 9.977 6.508 72 HA PRO 14 HA PRO 14 -17.599 5.747 9.708 73 1HB PRO 14 1HB PRO 14 -15.962 5.419 11.851 74 2HB PRO 14 2HB PRO 14 -15.704 4.488 10.343 75 1HG PRO 14 1HG PRO 14 -14.311 7.020 11.258 76 2HG PRO 14 2HG PRO 14 -13.569 5.520 10.635 77 1HD PRO 14 1HD PRO 14 -14.117 7.744 9.079 78 2HD PRO 14 2HD PRO 14 -14.089 6.078 8.430 79 H VAL 15 H VAL 15 -18.382 6.256 11.979 80 HA VAL 15 HA VAL 15 -17.994 9.054 12.909 81 HB VAL 15 HB VAL 15 -20.749 7.836 12.447 82 1HG1 VAL 15 1HG1 VAL 15 -20.681 9.307 14.434 83 2HG1 VAL 15 2HG1 VAL 15 -19.890 10.581 13.478 84 3HG1 VAL 15 3HG1 VAL 15 -21.559 10.085 13.120 85 1HG2 VAL 15 1HG2 VAL 15 -19.829 8.571 10.298 86 2HG2 VAL 15 2HG2 VAL 15 -21.075 9.697 10.836 87 3HG2 VAL 15 3HG2 VAL 15 -19.358 10.134 11.005 88 H GLY 16 H GLY 16 -17.203 8.762 14.874 89 1HA GLY 16 1HA GLY 16 -17.313 8.329 17.162 90 2HA GLY 16 2HA GLY 16 -18.710 7.287 16.931 91 H LYS 17 H LYS 17 -16.913 6.492 18.728 92 HA LYS 17 HA LYS 17 -14.643 5.018 17.941 93 1HB LYS 17 1HB LYS 17 -16.506 4.325 20.256 94 2HB LYS 17 2HB LYS 17 -14.846 3.783 20.018 95 1HG LYS 17 1HG LYS 17 -14.322 6.389 19.984 96 2HG LYS 17 2HG LYS 17 -15.874 6.493 20.836 97 1HD LYS 17 1HD LYS 17 -15.020 4.807 22.501 98 2HD LYS 17 2HD LYS 17 -13.474 4.776 21.628 99 1HE LYS 17 1HE LYS 17 -13.240 7.247 22.091 100 2HE LYS 17 2HE LYS 17 -14.684 7.151 23.105 101 1HZ LYS 17 1HZ LYS 17 -12.201 5.549 23.526 102 2HZ LYS 17 2HZ LYS 17 -12.604 6.887 24.389 103 3HZ LYS 17 3HZ LYS 17 -13.516 5.536 24.502 104 H ASP 18 H ASP 18 -17.979 3.844 18.210 105 HA ASP 18 HA ASP 18 -17.501 1.084 17.779 106 1HB ASP 18 1HB ASP 18 -19.917 2.783 17.037 107 2HB ASP 18 2HB ASP 18 -19.885 1.021 17.007 108 H ALA 19 H ALA 19 -18.200 3.619 15.315 109 HA ALA 19 HA ALA 19 -18.023 1.797 13.080 110 1HB ALA 19 1HB ALA 19 -17.760 4.821 13.231 111 2HB ALA 19 2HB ALA 19 -17.979 3.865 11.740 112 3HB ALA 19 3HB ALA 19 -19.268 3.912 12.964 113 H VAL 20 H VAL 20 -15.620 3.993 14.653 114 HA VAL 20 HA VAL 20 -13.514 3.492 12.742 115 HB VAL 20 HB VAL 20 -13.420 4.410 15.639 116 1HG1 VAL 20 1HG1 VAL 20 -11.183 4.123 13.592 117 2HG1 VAL 20 2HG1 VAL 20 -11.059 5.168 15.020 118 3HG1 VAL 20 3HG1 VAL 20 -11.255 3.426 15.226 119 1HG2 VAL 20 1HG2 VAL 20 -12.952 6.603 14.644 120 2HG2 VAL 20 2HG2 VAL 20 -12.949 5.900 13.017 121 3HG2 VAL 20 3HG2 VAL 20 -14.453 5.977 13.958 122 H ASN 21 H ASN 21 -14.303 1.863 15.867 123 HA ASN 21 HA ASN 21 -12.160 -0.040 15.746 124 1HB ASN 21 1HB ASN 21 -14.899 -0.119 17.083 125 2HB ASN 21 2HB ASN 21 -13.665 -1.356 17.310 126 1HD2 ASN 21 1HD2 ASN 21 -14.712 0.078 19.471 127 2HD2 ASN 21 2HD2 ASN 21 -13.418 1.073 20.120 128 H SER 22 H SER 22 -15.489 -0.153 14.409 129 HA SER 22 HA SER 22 -15.321 -2.842 13.381 130 1HB SER 22 1HB SER 22 -16.995 -0.495 12.386 131 2HB SER 22 2HB SER 22 -17.211 -2.198 11.945 132 HG SER 22 HG SER 22 -17.551 -0.970 14.487 133 H LEU 23 H LEU 23 -14.602 0.346 11.881 134 HA LEU 23 HA LEU 23 -13.903 -0.600 9.289 135 1HB LEU 23 1HB LEU 23 -14.440 1.758 9.955 136 2HB LEU 23 2HB LEU 23 -12.932 1.832 10.861 137 HG LEU 23 HG LEU 23 -11.665 1.524 8.711 138 1HD1 LEU 23 1HD1 LEU 23 -12.891 1.927 6.587 139 2HD1 LEU 23 2HD1 LEU 23 -13.421 0.423 7.348 140 3HD1 LEU 23 3HD1 LEU 23 -14.434 1.877 7.467 141 1HD2 LEU 23 1HD2 LEU 23 -12.129 3.821 7.898 142 2HD2 LEU 23 2HD2 LEU 23 -13.646 3.832 8.830 143 3HD2 LEU 23 3HD2 LEU 23 -12.078 3.756 9.667 144 H ILE 24 H ILE 24 -11.918 -0.126 12.218 145 HA ILE 24 HA ILE 24 -9.389 -0.888 11.082 146 HB ILE 24 HB ILE 24 -10.502 -0.911 13.910 147 1HG1 ILE 24 1HG1 ILE 24 -8.276 0.809 12.731 148 2HG1 ILE 24 2HG1 ILE 24 -9.964 1.291 12.663 149 1HG2 ILE 24 1HG2 ILE 24 -7.719 -1.682 12.976 150 2HG2 ILE 24 2HG2 ILE 24 -8.104 -1.273 14.664 151 3HG2 ILE 24 3HG2 ILE 24 -8.844 -2.676 13.921 152 1HD1 ILE 24 1HD1 ILE 24 -8.303 0.881 15.180 153 2HD1 ILE 24 2HD1 ILE 24 -9.033 2.372 14.576 154 3HD1 ILE 24 3HD1 ILE 24 -10.071 1.082 15.192 155 H ARG 25 H ARG 25 -11.872 -2.835 12.858 156 HA ARG 25 HA ARG 25 -10.489 -5.319 12.634 157 1HB ARG 25 1HB ARG 25 -12.271 -4.924 14.263 158 2HB ARG 25 2HB ARG 25 -13.457 -4.756 12.966 159 1HG ARG 25 1HG ARG 25 -13.609 -6.957 13.999 160 2HG ARG 25 2HG ARG 25 -13.136 -7.079 12.307 161 1HD ARG 25 1HD ARG 25 -10.712 -7.345 13.107 162 2HD ARG 25 2HD ARG 25 -11.348 -7.412 14.746 163 HE ARG 25 HE ARG 25 -12.141 -9.566 14.347 164 1HH1 ARG 25 1HH1 ARG 25 -11.185 -8.245 11.205 165 2HH1 ARG 25 2HH1 ARG 25 -11.229 -9.820 10.466 166 1HH2 ARG 25 1HH2 ARG 25 -12.200 -11.507 13.290 167 2HH2 ARG 25 2HH2 ARG 25 -11.806 -11.598 11.599 168 H GLU 26 H GLU 26 -12.887 -3.893 10.423 169 HA GLU 26 HA GLU 26 -12.988 -6.198 8.661 170 1HB GLU 26 1HB GLU 26 -13.812 -3.284 8.367 171 2HB GLU 26 2HB GLU 26 -14.058 -4.466 7.088 172 1HG GLU 26 1HG GLU 26 -15.202 -4.786 9.895 173 2HG GLU 26 2HG GLU 26 -16.061 -4.051 8.549 174 H ASN 27 H ASN 27 -10.601 -3.754 9.018 175 HA ASN 27 HA ASN 27 -9.293 -4.574 6.462 176 1HB ASN 27 1HB ASN 27 -9.500 -1.760 7.578 177 2HB ASN 27 2HB ASN 27 -8.610 -2.222 6.135 178 1HD2 ASN 27 1HD2 ASN 27 -11.752 -1.537 7.449 179 2HD2 ASN 27 2HD2 ASN 27 -12.603 -1.601 5.897 180 H SER 28 H SER 28 -8.788 -5.705 9.019 181 HA SER 28 HA SER 28 -6.754 -4.619 10.558 182 1HB SER 28 1HB SER 28 -6.290 -6.926 11.278 183 2HB SER 28 2HB SER 28 -8.021 -6.549 11.231 184 HG SER 28 HG SER 28 -7.518 -8.598 10.276 185 H HIS 29 H HIS 29 -6.340 -5.847 7.345 186 HA HIS 29 HA HIS 29 -3.491 -6.415 7.477 187 1HB HIS 29 1HB HIS 29 -3.712 -6.607 5.042 188 2HB HIS 29 2HB HIS 29 -4.954 -7.528 5.876 189 HD2 HIS 29 HD2 HIS 29 -4.628 -5.376 2.971 190 HE1 HIS 29 HE1 HIS 29 -8.650 -4.671 4.196 191 HE2 HIS 29 HE2 HIS 29 -6.975 -4.351 2.317 192 H ILE 30 H ILE 30 -5.321 -3.478 7.148 193 HA ILE 30 HA ILE 30 -2.835 -1.940 6.513 194 HB ILE 30 HB ILE 30 -4.266 -0.365 5.190 195 1HG1 ILE 30 1HG1 ILE 30 -6.275 -2.656 5.172 196 2HG1 ILE 30 2HG1 ILE 30 -6.464 -1.168 6.097 197 1HG2 ILE 30 1HG2 ILE 30 -2.692 -1.978 4.177 198 2HG2 ILE 30 2HG2 ILE 30 -4.002 -3.166 4.049 199 3HG2 ILE 30 3HG2 ILE 30 -4.076 -1.647 3.133 200 1HD1 ILE 30 1HD1 ILE 30 -6.313 -1.317 3.067 201 2HD1 ILE 30 2HD1 ILE 30 -7.777 -1.118 4.043 202 3HD1 ILE 30 3HD1 ILE 30 -6.548 0.151 4.047 203 H PHE 31 H PHE 31 -5.658 -2.119 8.521 204 HA PHE 31 HA PHE 31 -4.924 0.506 9.791 205 1HB PHE 31 1HB PHE 31 -7.649 -0.832 9.580 206 2HB PHE 31 2HB PHE 31 -7.313 0.661 10.429 207 HD1 PHE 31 HD1 PHE 31 -5.496 1.753 7.942 208 HD2 PHE 31 HD2 PHE 31 -9.502 0.263 8.478 209 HE1 PHE 31 HE1 PHE 31 -6.231 2.979 5.923 210 HE2 PHE 31 HE2 PHE 31 -10.222 1.457 6.422 211 HZ PHE 31 HZ PHE 31 -8.582 2.806 5.138 212 H SER 32 H SER 32 -4.758 0.482 11.990 213 HA SER 32 HA SER 32 -5.639 -1.835 13.594 214 1HB SER 32 1HB SER 32 -3.585 -2.397 14.505 215 2HB SER 32 2HB SER 32 -3.235 -2.252 12.778 216 HG SER 32 HG SER 32 -1.676 -1.191 14.086 217 H ASP 33 H ASP 33 -5.145 -1.378 15.982 218 HA ASP 33 HA ASP 33 -6.295 1.140 16.741 219 1HB ASP 33 1HB ASP 33 -4.887 -1.058 18.306 220 2HB ASP 33 2HB ASP 33 -5.622 0.352 19.068 221 H THR 34 H THR 34 -3.069 0.428 15.830 222 HA THR 34 HA THR 34 -2.044 2.894 17.157 223 HB THR 34 HB THR 34 0.129 1.764 17.478 224 HG1 THR 34 HG1 THR 34 0.168 -0.492 17.340 225 1HG2 THR 34 1HG2 THR 34 -2.133 0.276 18.870 226 2HG2 THR 34 2HG2 THR 34 -0.461 0.475 19.434 227 3HG2 THR 34 3HG2 THR 34 -1.531 1.882 19.334 228 H GLN 35 H GLN 35 -2.519 1.511 14.079 229 HA GLN 35 HA GLN 35 -0.794 3.570 12.917 230 1HB GLN 35 1HB GLN 35 0.741 1.589 13.412 231 2HB GLN 35 2HB GLN 35 -0.257 0.614 12.337 232 1HG GLN 35 1HG GLN 35 0.385 2.130 10.434 233 2HG GLN 35 2HG GLN 35 1.363 3.077 11.560 234 1HE2 GLN 35 1HE2 GLN 35 3.549 2.550 11.402 235 2HE2 GLN 35 2HE2 GLN 35 4.131 0.940 11.008 236 H CYS 36 H CYS 36 -1.259 4.092 10.823 237 HA CYS 36 HA CYS 36 -3.374 2.528 9.342 238 1HB CYS 36 1HB CYS 36 -4.199 4.767 10.093 239 2HB CYS 36 2HB CYS 36 -2.833 5.522 9.261 240 H LYS 37 H LYS 37 -2.332 1.446 7.710 241 HA LYS 37 HA LYS 37 0.294 2.277 6.697 242 1HB LYS 37 1HB LYS 37 -1.594 0.103 5.699 243 2HB LYS 37 2HB LYS 37 0.094 0.329 5.232 244 1HG LYS 37 1HG LYS 37 0.743 0.003 7.671 245 2HG LYS 37 2HG LYS 37 -0.948 -0.438 7.988 246 1HD LYS 37 1HD LYS 37 -0.699 -2.159 6.093 247 2HD LYS 37 2HD LYS 37 1.037 -1.826 6.148 248 1HE LYS 37 1HE LYS 37 1.183 -2.591 8.450 249 2HE LYS 37 2HE LYS 37 -0.579 -2.660 8.596 250 1HZ LYS 37 1HZ LYS 37 -0.617 -4.429 6.949 251 2HZ LYS 37 2HZ LYS 37 1.017 -4.394 6.791 252 3HZ LYS 37 3HZ LYS 37 0.344 -4.868 8.202 253 H VAL 38 H VAL 38 -3.023 2.557 5.459 254 HA VAL 38 HA VAL 38 -2.406 3.267 2.756 255 HB VAL 38 HB VAL 38 -4.767 4.194 4.444 256 1HG1 VAL 38 1HG1 VAL 38 -4.447 4.021 1.413 257 2HG1 VAL 38 2HG1 VAL 38 -5.970 4.346 2.268 258 3HG1 VAL 38 3HG1 VAL 38 -4.646 5.504 2.375 259 1HG2 VAL 38 1HG2 VAL 38 -5.961 2.296 3.350 260 2HG2 VAL 38 2HG2 VAL 38 -4.428 1.759 2.630 261 3HG2 VAL 38 3HG2 VAL 38 -4.651 1.743 4.393 262 H CYS 39 H CYS 39 -2.301 5.156 5.723 263 HA CYS 39 HA CYS 39 -1.477 7.619 4.267 264 1HB CYS 39 1HB CYS 39 -2.624 7.146 7.028 265 2HB CYS 39 2HB CYS 39 -2.265 8.709 6.311 266 H SER 40 H SER 40 0.005 5.047 5.446 267 HA SER 40 HA SER 40 1.742 4.465 6.780 268 1HB SER 40 1HB SER 40 3.056 6.658 5.112 269 2HB SER 40 2HB SER 40 3.850 5.229 5.794 270 HG SER 40 HG SER 40 2.392 3.959 4.443 271 H ALA 41 H ALA 41 0.441 5.659 8.538 272 HA ALA 41 HA ALA 41 2.351 7.392 10.063 273 1HB ALA 41 1HB ALA 41 0.466 8.855 10.707 274 2HB ALA 41 2HB ALA 41 0.712 8.853 8.950 275 3HB ALA 41 3HB ALA 41 -0.624 7.918 9.663 276 H VAL 42 H VAL 42 2.350 7.250 12.227 277 HA VAL 42 HA VAL 42 1.101 4.870 13.464 278 HB VAL 42 HB VAL 42 3.187 6.864 14.474 279 1HG1 VAL 42 1HG1 VAL 42 2.040 5.914 16.429 280 2HG1 VAL 42 2HG1 VAL 42 2.239 4.270 15.773 281 3HG1 VAL 42 3HG1 VAL 42 3.649 5.222 16.277 282 1HG2 VAL 42 1HG2 VAL 42 4.759 4.967 14.205 283 2HG2 VAL 42 2HG2 VAL 42 3.447 3.964 13.552 284 3HG2 VAL 42 3HG2 VAL 42 4.023 5.392 12.661 285 H LEU 43 H LEU 43 -0.166 4.951 15.264 286 HA LEU 43 HA LEU 43 -1.645 7.479 15.872 287 1HB LEU 43 1HB LEU 43 -2.747 4.649 15.698 288 2HB LEU 43 2HB LEU 43 -3.662 6.114 15.976 289 HG LEU 43 HG LEU 43 -2.148 5.472 13.398 290 1HD1 LEU 43 1HD1 LEU 43 -4.049 3.949 13.791 291 2HD1 LEU 43 2HD1 LEU 43 -5.126 5.352 13.931 292 3HD1 LEU 43 3HD1 LEU 43 -4.294 5.025 12.406 293 1HD2 LEU 43 1HD2 LEU 43 -4.133 7.689 14.053 294 2HD2 LEU 43 2HD2 LEU 43 -2.403 7.899 13.722 295 3HD2 LEU 43 3HD2 LEU 43 -3.468 7.318 12.443 296 H ILE 44 H ILE 44 -0.024 7.731 17.493 297 HA ILE 44 HA ILE 44 0.752 5.990 19.485 298 HB ILE 44 HB ILE 44 1.488 7.958 20.745 299 1HG1 ILE 44 1HG1 ILE 44 0.002 9.633 18.666 300 2HG1 ILE 44 2HG1 ILE 44 -0.508 9.411 20.340 301 1HG2 ILE 44 1HG2 ILE 44 3.066 8.746 19.107 302 2HG2 ILE 44 2HG2 ILE 44 2.740 7.047 18.772 303 3HG2 ILE 44 3HG2 ILE 44 2.000 8.307 17.760 304 1HD1 ILE 44 1HD1 ILE 44 2.033 10.799 19.409 305 2HD1 ILE 44 2HD1 ILE 44 0.603 11.535 20.149 306 3HD1 ILE 44 3HD1 ILE 44 1.632 10.454 21.110 307 H SER 45 H SER 45 -2.414 7.333 19.438 308 HA SER 45 HA SER 45 -3.089 6.024 21.961 309 1HB SER 45 1HB SER 45 -2.262 8.306 22.666 310 2HB SER 45 2HB SER 45 -3.546 9.028 21.678 311 HG SER 45 HG SER 45 -4.124 8.756 23.911 312 H GLU 46 H GLU 46 -5.481 6.067 22.311 313 HA GLU 46 HA GLU 46 -6.964 5.536 19.909 314 1HB GLU 46 1HB GLU 46 -7.514 4.527 22.044 315 2HB GLU 46 2HB GLU 46 -7.969 6.101 22.723 316 1HG GLU 46 1HG GLU 46 -9.872 6.290 21.328 317 2HG GLU 46 2HG GLU 46 -9.273 5.098 20.176 318 H SER 47 H SER 47 -6.640 8.596 21.795 319 HA SER 47 HA SER 47 -8.729 9.994 20.404 320 1HB SER 47 1HB SER 47 -7.529 12.041 21.105 321 2HB SER 47 2HB SER 47 -7.841 10.903 22.428 322 HG SER 47 HG SER 47 -5.682 11.712 22.478 323 H GLN 48 H GLN 48 -5.221 9.603 19.630 324 HA GLN 48 HA GLN 48 -5.251 11.187 17.266 325 1HB GLN 48 1HB GLN 48 -3.269 10.451 18.698 326 2HB GLN 48 2HB GLN 48 -3.463 8.830 18.037 327 1HG GLN 48 1HG GLN 48 -1.719 10.022 16.883 328 2HG GLN 48 2HG GLN 48 -3.052 9.640 15.784 329 1HE2 GLN 48 1HE2 GLN 48 -2.460 12.380 18.119 330 2HE2 GLN 48 2HE2 GLN 48 -2.703 13.623 16.900 331 H LYS 49 H LYS 49 -5.784 7.678 17.880 332 HA LYS 49 HA LYS 49 -6.055 6.920 15.120 333 1HB LYS 49 1HB LYS 49 -6.120 4.873 16.027 334 2HB LYS 49 2HB LYS 49 -6.049 5.606 17.617 335 1HG LYS 49 1HG LYS 49 -8.547 5.629 17.686 336 2HG LYS 49 2HG LYS 49 -8.572 4.820 16.115 337 1HD LYS 49 1HD LYS 49 -7.442 2.867 17.129 338 2HD LYS 49 2HD LYS 49 -7.408 3.696 18.706 339 1HE LYS 49 1HE LYS 49 -9.927 4.030 18.417 340 2HE LYS 49 2HE LYS 49 -9.827 2.911 17.037 341 1HZ LYS 49 1HZ LYS 49 -10.475 1.631 18.841 342 2HZ LYS 49 2HZ LYS 49 -8.895 1.262 18.718 343 3HZ LYS 49 3HZ LYS 49 -9.438 2.303 19.907 344 H LEU 50 H LEU 50 -8.512 7.885 17.495 345 HA LEU 50 HA LEU 50 -10.770 7.660 15.755 346 1HB LEU 50 1HB LEU 50 -10.250 9.327 18.257 347 2HB LEU 50 2HB LEU 50 -11.818 9.276 17.453 348 HG LEU 50 HG LEU 50 -10.417 6.811 18.577 349 1HD1 LEU 50 1HD1 LEU 50 -12.042 6.912 20.366 350 2HD1 LEU 50 2HD1 LEU 50 -11.096 8.410 20.347 351 3HD1 LEU 50 3HD1 LEU 50 -12.757 8.397 19.695 352 1HD2 LEU 50 1HD2 LEU 50 -11.984 6.213 16.808 353 2HD2 LEU 50 2HD2 LEU 50 -12.584 5.729 18.387 354 3HD2 LEU 50 3HD2 LEU 50 -13.262 7.173 17.586 355 H ALA 51 H ALA 51 -8.613 10.474 16.366 356 HA ALA 51 HA ALA 51 -10.134 12.194 14.595 357 1HB ALA 51 1HB ALA 51 -8.161 13.687 14.830 358 2HB ALA 51 2HB ALA 51 -8.664 13.055 16.410 359 3HB ALA 51 3HB ALA 51 -7.241 12.370 15.591 360 H HIS 52 H HIS 52 -7.189 10.156 14.067 361 HA HIS 52 HA HIS 52 -6.765 11.039 11.384 362 1HB HIS 52 1HB HIS 52 -5.119 9.822 12.812 363 2HB HIS 52 2HB HIS 52 -6.069 8.346 12.622 364 HD1 HIS 52 HD1 HIS 52 -3.335 10.261 10.960 365 HD2 HIS 52 HD2 HIS 52 -6.330 7.508 9.875 366 HE1 HIS 52 HE1 HIS 52 -2.696 9.361 8.647 367 H TYR 53 H TYR 53 -8.519 8.081 12.582 368 HA TYR 53 HA TYR 53 -9.302 7.266 9.952 369 1HB TYR 53 1HB TYR 53 -10.389 6.542 12.686 370 2HB TYR 53 2HB TYR 53 -10.952 5.807 11.191 371 HD1 TYR 53 HD1 TYR 53 -8.854 5.082 9.551 372 HD2 TYR 53 HD2 TYR 53 -8.872 5.130 13.849 373 HE1 TYR 53 HE1 TYR 53 -6.953 3.475 9.578 374 HE2 TYR 53 HE2 TYR 53 -6.988 3.505 13.880 375 HH TYR 53 HH TYR 53 -5.576 2.263 12.656 376 H GLN 54 H GLN 54 -10.631 9.823 11.856 377 HA GLN 54 HA GLN 54 -13.110 9.875 10.181 378 1HB GLN 54 1HB GLN 54 -12.462 11.253 12.807 379 2HB GLN 54 2HB GLN 54 -13.952 11.478 11.885 380 1HG GLN 54 1HG GLN 54 -14.507 9.099 12.090 381 2HG GLN 54 2HG GLN 54 -13.019 8.805 13.004 382 1HE2 GLN 54 1HE2 GLN 54 -12.776 10.160 15.040 383 2HE2 GLN 54 2HE2 GLN 54 -14.249 10.404 15.998 384 H SER 55 H SER 55 -10.033 11.213 10.113 385 HA SER 55 HA SER 55 -10.620 13.961 9.455 386 1HB SER 55 1HB SER 55 -8.441 13.298 10.284 387 2HB SER 55 2HB SER 55 -8.192 12.214 8.901 388 HG SER 55 HG SER 55 -7.228 14.413 8.811 389 H ARG 56 H ARG 56 -10.812 15.017 7.528 390 HA ARG 56 HA ARG 56 -11.697 13.609 5.160 391 1HB ARG 56 1HB ARG 56 -11.667 16.317 6.109 392 2HB ARG 56 2HB ARG 56 -10.790 16.334 4.589 393 1HG ARG 56 1HG ARG 56 -13.587 15.183 5.011 394 2HG ARG 56 2HG ARG 56 -13.218 16.782 4.351 395 1HD ARG 56 1HD ARG 56 -12.006 15.714 2.455 396 2HD ARG 56 2HD ARG 56 -12.455 14.117 3.088 397 HE ARG 56 HE ARG 56 -14.805 15.726 2.785 398 1HH1 ARG 56 1HH1 ARG 56 -12.524 14.007 0.763 399 2HH1 ARG 56 2HH1 ARG 56 -13.685 13.791 -0.521 400 1HH2 ARG 56 1HH2 ARG 56 -16.226 15.439 1.102 401 2HH2 ARG 56 2HH2 ARG 56 -15.728 14.578 -0.322 402 H LYS 57 H LYS 57 -8.546 14.623 6.266 403 HA LYS 57 HA LYS 57 -7.146 14.390 3.714 404 1HB LYS 57 1HB LYS 57 -6.018 14.138 6.540 405 2HB LYS 57 2HB LYS 57 -5.113 14.478 5.073 406 1HG LYS 57 1HG LYS 57 -7.129 16.299 6.451 407 2HG LYS 57 2HG LYS 57 -5.391 16.502 6.404 408 1HD LYS 57 1HD LYS 57 -7.286 16.704 4.020 409 2HD LYS 57 2HD LYS 57 -6.573 18.056 4.880 410 1HE LYS 57 1HE LYS 57 -4.973 15.949 3.351 411 2HE LYS 57 2HE LYS 57 -5.478 17.504 2.690 412 1HZ LYS 57 1HZ LYS 57 -3.677 17.183 5.034 413 2HZ LYS 57 2HZ LYS 57 -3.222 17.638 3.535 414 3HZ LYS 57 3HZ LYS 57 -4.178 18.613 4.422 415 H HIS 58 H HIS 58 -7.945 12.142 6.311 416 HA HIS 58 HA HIS 58 -6.478 9.845 5.236 417 1HB HIS 58 1HB HIS 58 -6.961 9.886 7.574 418 2HB HIS 58 2HB HIS 58 -8.666 10.211 7.303 419 HD2 HIS 58 HD2 HIS 58 -10.302 8.213 6.880 420 HE1 HIS 58 HE1 HIS 58 -7.494 5.037 7.314 421 HE2 HIS 58 HE2 HIS 58 -9.970 5.614 7.120 422 H ALA 59 H ALA 59 -9.838 11.102 4.974 423 HA ALA 59 HA ALA 59 -10.962 8.970 3.526 424 1HB ALA 59 1HB ALA 59 -12.135 10.993 4.518 425 2HB ALA 59 2HB ALA 59 -11.631 11.909 3.096 426 3HB ALA 59 3HB ALA 59 -12.695 10.505 2.909 427 H ASN 60 H ASN 60 -9.282 11.886 2.147 428 HA ASN 60 HA ASN 60 -9.672 11.088 -0.586 429 1HB ASN 60 1HB ASN 60 -9.050 13.399 0.255 430 2HB ASN 60 2HB ASN 60 -7.423 12.805 0.591 431 1HD2 ASN 60 1HD2 ASN 60 -9.677 13.789 -1.932 432 2HD2 ASN 60 2HD2 ASN 60 -8.503 13.710 -3.232 433 H LYS 61 H LYS 61 -7.179 10.109 1.753 434 HA LYS 61 HA LYS 61 -5.608 8.656 -0.279 435 1HB LYS 61 1HB LYS 61 -5.453 8.864 2.743 436 2HB LYS 61 2HB LYS 61 -4.491 7.692 1.815 437 1HG LYS 61 1HG LYS 61 -3.596 9.483 0.390 438 2HG LYS 61 2HG LYS 61 -4.492 10.699 1.291 439 1HD LYS 61 1HD LYS 61 -2.422 8.838 2.531 440 2HD LYS 61 2HD LYS 61 -2.004 10.398 1.836 441 1HE LYS 61 1HE LYS 61 -3.931 9.998 4.168 442 2HE LYS 61 2HE LYS 61 -2.227 10.451 4.306 443 1HZ LYS 61 1HZ LYS 61 -2.820 12.441 2.899 444 2HZ LYS 61 2HZ LYS 61 -4.411 12.058 3.114 445 3HZ LYS 61 3HZ LYS 61 -3.472 12.439 4.395 446 H VAL 62 H VAL 62 -8.149 7.798 2.070 447 HA VAL 62 HA VAL 62 -8.196 4.981 1.419 448 HB VAL 62 HB VAL 62 -10.295 6.847 2.576 449 1HG1 VAL 62 1HG1 VAL 62 -10.521 3.837 2.142 450 2HG1 VAL 62 2HG1 VAL 62 -11.587 4.808 3.181 451 3HG1 VAL 62 3HG1 VAL 62 -11.575 5.092 1.445 452 1HG2 VAL 62 1HG2 VAL 62 -9.839 5.484 4.601 453 2HG2 VAL 62 2HG2 VAL 62 -8.618 4.560 3.701 454 3HG2 VAL 62 3HG2 VAL 62 -8.371 6.283 4.026 455 H ARG 63 H ARG 63 -9.721 7.818 -0.149 456 HA ARG 63 HA ARG 63 -11.354 6.416 -2.023 457 1HB ARG 63 1HB ARG 63 -9.855 9.048 -2.287 458 2HB ARG 63 2HB ARG 63 -10.958 8.464 -3.503 459 1HG ARG 63 1HG ARG 63 -12.023 8.642 -0.684 460 2HG ARG 63 2HG ARG 63 -11.679 10.145 -1.542 461 1HD ARG 63 1HD ARG 63 -13.931 9.681 -1.927 462 2HD ARG 63 2HD ARG 63 -13.100 9.356 -3.441 463 HE ARG 63 HE ARG 63 -14.240 7.335 -1.515 464 1HH1 ARG 63 1HH1 ARG 63 -13.028 7.772 -4.828 465 2HH1 ARG 63 2HH1 ARG 63 -13.676 6.194 -5.253 466 1HH2 ARG 63 1HH2 ARG 63 -14.961 5.536 -2.182 467 2HH2 ARG 63 2HH2 ARG 63 -14.744 4.999 -3.871 468 H ARG 64 H ARG 64 -7.846 7.067 -2.137 469 HA ARG 64 HA ARG 64 -7.413 6.095 -4.829 470 1HB ARG 64 1HB ARG 64 -5.413 5.863 -2.559 471 2HB ARG 64 2HB ARG 64 -5.091 5.985 -4.285 472 1HG ARG 64 1HG ARG 64 -6.061 8.135 -2.395 473 2HG ARG 64 2HG ARG 64 -4.499 8.047 -3.194 474 1HD ARG 64 1HD ARG 64 -5.574 8.445 -5.373 475 2HD ARG 64 2HD ARG 64 -7.165 8.468 -4.608 476 HE ARG 64 HE ARG 64 -6.516 10.446 -3.316 477 1HH1 ARG 64 1HH1 ARG 64 -4.467 9.852 -6.111 478 2HH1 ARG 64 2HH1 ARG 64 -3.862 11.485 -6.109 479 1HH2 ARG 64 1HH2 ARG 64 -5.694 12.458 -3.358 480 2HH2 ARG 64 2HH2 ARG 64 -4.551 12.933 -4.596 481 H TYR 65 H TYR 65 -7.184 4.503 -1.654 482 HA TYR 65 HA TYR 65 -6.583 1.868 -2.598 483 1HB TYR 65 1HB TYR 65 -6.139 2.504 -0.327 484 2HB TYR 65 2HB TYR 65 -7.816 2.932 -0.040 485 HD1 TYR 65 HD1 TYR 65 -9.138 1.432 1.137 486 HD2 TYR 65 HD2 TYR 65 -5.776 -0.064 -1.115 487 HE1 TYR 65 HE1 TYR 65 -9.634 -0.873 1.931 488 HE2 TYR 65 HE2 TYR 65 -6.270 -2.371 -0.308 489 HH TYR 65 HH TYR 65 -9.083 -3.077 1.802 490 H MET 66 H MET 66 -9.732 3.439 -1.902 491 HA MET 66 HA MET 66 -11.390 1.161 -2.497 492 1HB MET 66 1HB MET 66 -11.915 4.161 -2.562 493 2HB MET 66 2HB MET 66 -13.165 2.954 -2.847 494 1HG MET 66 1HG MET 66 -11.545 3.127 -0.279 495 2HG MET 66 2HG MET 66 -13.111 3.882 -0.540 496 1HE MET 66 1HE MET 66 -12.315 -0.356 0.811 497 2HE MET 66 2HE MET 66 -11.174 0.458 -0.280 498 3HE MET 66 3HE MET 66 -11.565 1.176 1.303 499 H ALA 67 H ALA 67 -10.350 3.921 -4.595 500 HA ALA 67 HA ALA 67 -11.796 3.278 -6.886 501 1HB ALA 67 1HB ALA 67 -10.603 5.381 -6.542 502 2HB ALA 67 2HB ALA 67 -9.038 4.541 -6.660 503 3HB ALA 67 3HB ALA 67 -10.111 4.634 -8.072 504 H ILE 68 H ILE 68 -8.867 1.688 -5.748 505 HA ILE 68 HA ILE 68 -8.156 0.342 -8.198 506 HB ILE 68 HB ILE 68 -7.484 -0.114 -5.275 507 1HG1 ILE 68 1HG1 ILE 68 -5.721 0.886 -7.560 508 2HG1 ILE 68 2HG1 ILE 68 -6.687 1.980 -6.591 509 1HG2 ILE 68 1HG2 ILE 68 -5.620 -1.587 -6.035 510 2HG2 ILE 68 2HG2 ILE 68 -7.197 -2.294 -6.336 511 3HG2 ILE 68 3HG2 ILE 68 -6.290 -1.557 -7.679 512 1HD1 ILE 68 1HD1 ILE 68 -4.406 0.262 -5.570 513 2HD1 ILE 68 2HD1 ILE 68 -4.485 2.028 -5.709 514 3HD1 ILE 68 3HD1 ILE 68 -5.510 1.195 -4.528 515 H ASN 69 H ASN 69 -10.706 -0.271 -5.899 516 HA ASN 69 HA ASN 69 -11.325 -2.864 -7.268 517 1HB ASN 69 1HB ASN 69 -10.475 -2.754 -4.731 518 2HB ASN 69 2HB ASN 69 -12.160 -2.352 -4.418 519 1HD2 ASN 69 1HD2 ASN 69 -13.624 -4.034 -6.017 520 2HD2 ASN 69 2HD2 ASN 69 -13.180 -5.709 -5.677 521 H GLN 70 H GLN 70 -12.460 0.295 -6.668 522 HA GLN 70 HA GLN 70 -15.271 -0.061 -6.482 523 1HB GLN 70 1HB GLN 70 -13.915 1.984 -5.974 524 2HB GLN 70 2HB GLN 70 -13.692 2.241 -7.710 525 1HG GLN 70 1HG GLN 70 -16.124 2.554 -7.972 526 2HG GLN 70 2HG GLN 70 -16.379 2.205 -6.258 527 1HE2 GLN 70 1HE2 GLN 70 -16.805 4.729 -8.036 528 2HE2 GLN 70 2HE2 GLN 70 -16.030 5.986 -7.085 529 H GLY 71 H GLY 71 -16.941 0.015 -8.049 530 1HA GLY 71 1HA GLY 71 -16.564 0.289 -10.876 531 2HA GLY 71 2HA GLY 71 -16.580 -1.421 -10.446 532 H GLU 72 H GLU 72 -18.444 -1.267 -11.966 533 HA GLU 72 HA GLU 72 -20.999 -1.073 -10.506 534 1HB GLU 72 1HB GLU 72 -22.073 0.251 -12.223 535 2HB GLU 72 2HB GLU 72 -20.720 1.141 -11.541 536 1HG GLU 72 1HG GLU 72 -19.325 0.511 -13.530 537 2HG GLU 72 2HG GLU 72 -20.717 -0.328 -14.217 538 H ASP 73 H ASP 73 -22.829 -1.878 -12.063 539 HA ASP 73 HA ASP 73 -21.965 -4.036 -13.893 540 1HB ASP 73 1HB ASP 73 -21.991 -4.940 -11.531 541 2HB ASP 73 2HB ASP 73 -23.707 -4.544 -11.445 542 H SER 74 H SER 74 -23.868 -5.107 -14.949 543 HA SER 74 HA SER 74 -26.388 -3.577 -15.109 544 1HB SER 74 1HB SER 74 -24.694 -2.470 -16.655 545 2HB SER 74 2HB SER 74 -24.695 -3.969 -17.603 546 HG SER 74 HG SER 74 -26.200 -2.353 -18.355 547 H VAL 75 H VAL 75 -27.755 -4.632 -17.007 548 HA VAL 75 HA VAL 75 -27.389 -7.555 -17.204 549 HB VAL 75 HB VAL 75 -28.557 -7.285 -15.107 550 1HG1 VAL 75 1HG1 VAL 75 -30.852 -5.941 -16.584 551 2HG1 VAL 75 2HG1 VAL 75 -30.795 -6.399 -14.875 552 3HG1 VAL 75 3HG1 VAL 75 -29.724 -5.130 -15.476 553 1HG2 VAL 75 1HG2 VAL 75 -29.089 -9.263 -16.425 554 2HG2 VAL 75 2HG2 VAL 75 -30.484 -8.728 -15.489 555 3HG2 VAL 75 3HG2 VAL 75 -30.427 -8.401 -17.230 556 HA PRO 76 HA PRO 76 -29.151 -6.448 -21.205 557 1HB PRO 76 1HB PRO 76 -28.958 -8.807 -22.514 558 2HB PRO 76 2HB PRO 76 -27.508 -7.941 -21.937 559 1HG PRO 76 1HG PRO 76 -28.975 -10.202 -20.528 560 2HG PRO 76 2HG PRO 76 -27.227 -10.096 -20.917 561 1HD PRO 76 1HD PRO 76 -28.239 -9.358 -18.488 562 2HD PRO 76 2HD PRO 76 -26.846 -8.519 -19.226 563 H ALA 77 H ALA 77 -31.089 -6.399 -19.359 564 HA ALA 77 HA ALA 77 -33.225 -8.316 -19.668 565 1HB ALA 77 1HB ALA 77 -34.433 -6.752 -18.188 566 2HB ALA 77 2HB ALA 77 -32.807 -7.106 -17.585 567 3HB ALA 77 3HB ALA 77 -33.136 -5.552 -18.388 568 H LYS 78 H LYS 78 -33.013 -8.056 -22.135 569 HA LYS 78 HA LYS 78 -35.023 -6.088 -23.211 570 1HB LYS 78 1HB LYS 78 -32.608 -7.333 -24.599 571 2HB LYS 78 2HB LYS 78 -33.735 -6.208 -25.336 572 1HG LYS 78 1HG LYS 78 -31.807 -5.603 -23.051 573 2HG LYS 78 2HG LYS 78 -31.616 -5.131 -24.730 574 1HD LYS 78 1HD LYS 78 -33.816 -4.128 -22.867 575 2HD LYS 78 2HD LYS 78 -32.342 -3.264 -23.305 576 1HE LYS 78 1HE LYS 78 -33.025 -3.318 -25.706 577 2HE LYS 78 2HE LYS 78 -34.534 -4.119 -25.249 578 1HZ LYS 78 1HZ LYS 78 -34.841 -1.723 -25.463 579 2HZ LYS 78 2HZ LYS 78 -35.088 -2.152 -23.908 580 3HZ LYS 78 3HZ LYS 78 -33.697 -1.415 -24.343 581 H LYS 79 H LYS 79 -36.102 -6.788 -25.178 582 HA LYS 79 HA LYS 79 -36.590 -9.720 -25.469 583 1HB LYS 79 1HB LYS 79 -38.765 -7.581 -25.224 584 2HB LYS 79 2HB LYS 79 -39.014 -9.241 -25.732 585 1HG LYS 79 1HG LYS 79 -39.597 -9.512 -23.571 586 2HG LYS 79 2HG LYS 79 -37.886 -9.871 -23.430 587 1HD LYS 79 1HD LYS 79 -38.529 -8.480 -21.589 588 2HD LYS 79 2HD LYS 79 -37.528 -7.477 -22.638 589 1HE LYS 79 1HE LYS 79 -39.568 -6.445 -23.610 590 2HE LYS 79 2HE LYS 79 -40.581 -7.499 -22.617 591 1HZ LYS 79 1HZ LYS 79 -40.320 -5.308 -21.605 592 2HZ LYS 79 2HZ LYS 79 -39.642 -6.432 -20.639 593 3HZ LYS 79 3HZ LYS 79 -38.697 -5.459 -21.552 594 H PHE 80 H PHE 80 -37.230 -10.372 -27.511 595 HA PHE 80 HA PHE 80 -37.037 -8.377 -29.734 596 1HB PHE 80 1HB PHE 80 -35.536 -11.015 -29.601 597 2HB PHE 80 2HB PHE 80 -35.436 -9.810 -30.876 598 HD1 PHE 80 HD1 PHE 80 -34.426 -7.524 -30.371 599 HD2 PHE 80 HD2 PHE 80 -34.161 -10.842 -27.627 600 HE1 PHE 80 HE1 PHE 80 -32.577 -6.383 -29.165 601 HE2 PHE 80 HE2 PHE 80 -32.320 -9.694 -26.419 602 HZ PHE 80 HZ PHE 80 -31.524 -7.465 -27.186 603 H LYS 81 H LYS 81 -39.261 -10.237 -28.521 604 HA LYS 81 HA LYS 81 -40.459 -10.923 -31.121 605 1HB LYS 81 1HB LYS 81 -40.989 -13.238 -30.515 606 2HB LYS 81 2HB LYS 81 -39.273 -12.947 -30.648 607 1HG LYS 81 1HG LYS 81 -39.573 -14.420 -28.856 608 2HG LYS 81 2HG LYS 81 -39.093 -12.884 -28.144 609 1HD LYS 81 1HD LYS 81 -41.357 -12.484 -27.333 610 2HD LYS 81 2HD LYS 81 -41.998 -13.790 -28.341 611 1HE LYS 81 1HE LYS 81 -41.927 -14.570 -26.081 612 2HE LYS 81 2HE LYS 81 -40.717 -15.450 -27.016 613 1HZ LYS 81 1HZ LYS 81 -40.141 -13.153 -25.212 614 2HZ LYS 81 2HZ LYS 81 -39.855 -14.719 -24.861 615 3HZ LYS 81 3HZ LYS 81 -39.012 -13.995 -26.052 616 H ALA 82 H ALA 82 -42.723 -11.798 -30.830 617 HA ALA 82 HA ALA 82 -44.199 -10.754 -28.495 618 1HB ALA 82 1HB ALA 82 -43.962 -8.807 -30.020 619 2HB ALA 82 2HB ALA 82 -44.667 -9.756 -31.347 620 3HB ALA 82 3HB ALA 82 -45.646 -9.342 -29.923 621 H ALA 83 H ALA 83 -46.602 -11.207 -28.764 622 HA ALA 83 HA ALA 83 -47.039 -13.980 -29.203 623 1HB ALA 83 1HB ALA 83 -48.999 -11.664 -28.851 624 2HB ALA 83 2HB ALA 83 -49.396 -13.381 -28.658 625 3HB ALA 83 3HB ALA 83 -48.248 -12.615 -27.547 626 HA PRO 84 HA PRO 84 -48.188 -14.159 -33.514 627 1HB PRO 84 1HB PRO 84 -49.793 -16.365 -33.629 628 2HB PRO 84 2HB PRO 84 -48.048 -16.456 -33.245 629 1HG PRO 84 1HG PRO 84 -50.378 -16.404 -31.298 630 2HG PRO 84 2HG PRO 84 -49.002 -17.555 -31.344 631 1HD PRO 84 1HD PRO 84 -49.013 -15.386 -29.699 632 2HD PRO 84 2HD PRO 84 -47.508 -15.947 -30.485 633 H ALA 85 H ALA 85 -50.015 -14.136 -35.028 634 HA ALA 85 HA ALA 85 -52.624 -13.142 -34.019 635 1HB ALA 85 1HB ALA 85 -50.847 -11.634 -35.992 636 2HB ALA 85 2HB ALA 85 -52.477 -11.156 -35.468 637 3HB ALA 85 3HB ALA 85 -51.144 -11.168 -34.302 638 H GLU 86 H GLU 86 -51.871 -15.662 -35.225 639 HA GLU 86 HA GLU 86 -52.391 -15.844 -37.991 640 1HB GLU 86 1HB GLU 86 -51.246 -17.487 -36.462 641 2HB GLU 86 2HB GLU 86 -52.834 -17.971 -35.858 642 1HG GLU 86 1HG GLU 86 -53.451 -18.820 -38.075 643 2HG GLU 86 2HG GLU 86 -51.978 -18.145 -38.782 644 H ILE 87 H ILE 87 -54.666 -15.253 -35.588 645 HA ILE 87 HA ILE 87 -56.990 -16.411 -36.939 646 HB ILE 87 HB ILE 87 -57.134 -14.480 -34.600 647 1HG1 ILE 87 1HG1 ILE 87 -57.514 -16.753 -33.313 648 2HG1 ILE 87 2HG1 ILE 87 -56.534 -17.462 -34.587 649 1HG2 ILE 87 1HG2 ILE 87 -59.282 -15.633 -34.221 650 2HG2 ILE 87 2HG2 ILE 87 -59.251 -15.005 -35.862 651 3HG2 ILE 87 3HG2 ILE 87 -58.966 -16.732 -35.579 652 1HD1 ILE 87 1HD1 ILE 87 -54.626 -16.008 -33.898 653 2HD1 ILE 87 2HD1 ILE 87 -55.686 -15.166 -32.744 654 3HD1 ILE 87 3HD1 ILE 87 -55.277 -16.874 -32.507 655 H SER 88 H SER 88 -55.995 -15.189 -38.849 656 HA SER 88 HA SER 88 -57.640 -12.758 -39.403 657 1HB SER 88 1HB SER 88 -55.745 -11.677 -40.493 658 2HB SER 88 2HB SER 88 -55.380 -12.008 -38.791 659 HG SER 88 HG SER 88 -53.631 -12.610 -40.113 660 H ASP 89 H ASP 89 -56.451 -15.810 -40.507 661 HA ASP 89 HA ASP 89 -56.711 -15.410 -43.347 662 1HB ASP 89 1HB ASP 89 -55.339 -17.162 -42.219 663 2HB ASP 89 2HB ASP 89 -56.819 -17.952 -41.677 664 H GLY 90 H GLY 90 -59.096 -15.911 -40.863 665 1HA GLY 90 1HA GLY 90 -61.326 -15.602 -42.630 666 2HA GLY 90 2HA GLY 90 -61.158 -17.299 -42.181 667 H GLU 91 H GLU 91 -63.409 -16.503 -41.446 668 HA GLU 91 HA GLU 91 -63.777 -14.968 -39.070 669 1HB GLU 91 1HB GLU 91 -65.465 -15.468 -40.826 670 2HB GLU 91 2HB GLU 91 -65.515 -17.151 -40.299 671 1HG GLU 91 1HG GLU 91 -66.441 -16.486 -38.132 672 2HG GLU 91 2HG GLU 91 -66.209 -14.777 -38.517 673 H ASP 92 H ASP 92 -64.405 -15.620 -36.955 674 HA ASP 92 HA ASP 92 -63.827 -18.374 -36.034 675 1HB ASP 92 1HB ASP 92 -61.699 -17.147 -35.770 676 2HB ASP 92 2HB ASP 92 -62.528 -15.864 -34.885 677 H ARG 93 H ARG 93 -64.841 -18.912 -34.082 678 HA ARG 93 HA ARG 93 -66.774 -17.033 -32.835 679 1HB ARG 93 1HB ARG 93 -68.638 -18.540 -33.087 680 2HB ARG 93 2HB ARG 93 -68.012 -17.973 -34.628 681 1HG ARG 93 1HG ARG 93 -66.823 -20.184 -34.932 682 2HG ARG 93 2HG ARG 93 -67.579 -20.740 -33.422 683 1HD ARG 93 1HD ARG 93 -69.812 -20.082 -34.440 684 2HD ARG 93 2HD ARG 93 -68.981 -19.790 -35.956 685 HE ARG 93 HE ARG 93 -69.470 -22.406 -34.614 686 1HH1 ARG 93 1HH1 ARG 93 -68.046 -20.850 -37.420 687 2HH1 ARG 93 2HH1 ARG 93 -67.976 -22.341 -38.317 688 1HH2 ARG 93 1HH2 ARG 93 -69.373 -24.247 -35.819 689 2HH2 ARG 93 2HH2 ARG 93 -68.701 -24.215 -37.425 690 H SER 94 H SER 94 -64.307 -18.119 -31.895 691 HA SER 94 HA SER 94 -64.509 -20.323 -30.161 692 1HB SER 94 1HB SER 94 -62.421 -19.418 -29.177 693 2HB SER 94 2HB SER 94 -62.400 -19.480 -30.940 694 HG SER 94 HG SER 94 -62.575 -17.345 -31.068 695 H LYS 95 H LYS 95 -66.276 -17.541 -29.507 696 HA LYS 95 HA LYS 95 -66.143 -18.053 -26.542 697 1HB LYS 95 1HB LYS 95 -66.111 -15.416 -28.053 698 2HB LYS 95 2HB LYS 95 -66.561 -15.498 -26.366 699 1HG LYS 95 1HG LYS 95 -63.878 -16.425 -27.486 700 2HG LYS 95 2HG LYS 95 -64.179 -14.859 -26.749 701 1HD LYS 95 1HD LYS 95 -64.446 -17.537 -25.308 702 2HD LYS 95 2HD LYS 95 -63.072 -16.439 -25.203 703 1HE LYS 95 1HE LYS 95 -64.451 -14.679 -24.220 704 2HE LYS 95 2HE LYS 95 -65.915 -15.649 -24.433 705 1HZ LYS 95 1HZ LYS 95 -65.047 -15.787 -22.165 706 2HZ LYS 95 2HZ LYS 95 -65.079 -17.255 -22.886 707 3HZ LYS 95 3HZ LYS 95 -63.651 -16.452 -22.696 708 H CYS 96 H CYS 96 -68.393 -17.524 -29.189 709 HA CYS 96 HA CYS 96 -70.583 -17.843 -27.212 710 1HB CYS 96 1HB CYS 96 -70.714 -15.674 -29.335 711 2HB CYS 96 2HB CYS 96 -71.844 -15.987 -28.010 712 HG CYS 96 HG CYS 96 -69.862 -15.564 -26.138 713 H CYS 97 H CYS 97 -72.660 -18.261 -28.108 714 HA CYS 97 HA CYS 97 -72.830 -19.287 -30.873 715 1HB CYS 97 1HB CYS 97 -72.108 -21.207 -29.568 716 2HB CYS 97 2HB CYS 97 -73.430 -20.956 -28.419 717 HA PRO 98 HA PRO 98 -76.537 -16.868 -29.623 718 1HB PRO 98 1HB PRO 98 -77.150 -15.788 -32.069 719 2HB PRO 98 2HB PRO 98 -75.873 -15.141 -30.996 720 1HG PRO 98 1HG PRO 98 -75.548 -17.034 -33.343 721 2HG PRO 98 2HG PRO 98 -74.617 -15.543 -32.985 722 1HD PRO 98 1HD PRO 98 -73.697 -18.014 -32.328 723 2HD PRO 98 2HD PRO 98 -73.401 -16.607 -31.264 724 H VAL 99 H VAL 99 -76.159 -19.420 -32.009 725 HA VAL 99 HA VAL 99 -78.921 -19.850 -32.695 726 HB VAL 99 HB VAL 99 -76.646 -21.868 -32.474 727 1HG1 VAL 99 1HG1 VAL 99 -77.961 -23.206 -34.097 728 2HG1 VAL 99 2HG1 VAL 99 -78.798 -23.049 -32.555 729 3HG1 VAL 99 3HG1 VAL 99 -79.313 -22.061 -33.945 730 1HG2 VAL 99 1HG2 VAL 99 -77.677 -20.294 -34.874 731 2HG2 VAL 99 2HG2 VAL 99 -76.097 -20.087 -34.089 732 3HG2 VAL 99 3HG2 VAL 99 -76.467 -21.591 -34.937 733 H CYS 100 H CYS 100 -76.896 -21.059 -30.034 734 HA CYS 100 HA CYS 100 -79.201 -22.392 -28.709 735 1HB CYS 100 1HB CYS 100 -76.215 -22.322 -28.115 736 2HB CYS 100 2HB CYS 100 -77.423 -23.262 -27.258 737 H ASN 101 H ASN 101 -77.576 -19.456 -28.630 738 HA ASN 101 HA ASN 101 -77.444 -17.635 -27.344 739 1HB ASN 101 1HB ASN 101 -79.912 -18.728 -25.917 740 2HB ASN 101 2HB ASN 101 -79.305 -17.083 -25.799 741 1HD2 ASN 101 1HD2 ASN 101 -79.432 -15.684 -27.710 742 2HD2 ASN 101 2HD2 ASN 101 -80.589 -16.088 -28.968 743 H MET 102 H MET 102 -75.537 -19.117 -26.855 744 HA MET 102 HA MET 102 -75.075 -19.085 -23.893 745 1HB MET 102 1HB MET 102 -74.251 -21.337 -25.774 746 2HB MET 102 2HB MET 102 -73.853 -21.211 -24.058 747 1HG MET 102 1HG MET 102 -76.375 -21.170 -23.615 748 2HG MET 102 2HG MET 102 -76.567 -21.696 -25.287 749 1HE MET 102 1HE MET 102 -74.687 -25.217 -25.173 750 2HE MET 102 2HE MET 102 -75.437 -24.002 -26.229 751 3HE MET 102 3HE MET 102 -73.857 -23.680 -25.477 752 H THR 103 H THR 103 -72.788 -19.344 -23.322 753 HA THR 103 HA THR 103 -70.800 -18.206 -25.218 754 HB THR 103 HB THR 103 -69.866 -16.828 -23.425 755 HG1 THR 103 HG1 THR 103 -71.104 -16.490 -21.553 756 1HG2 THR 103 1HG2 THR 103 -72.821 -16.159 -23.768 757 2HG2 THR 103 2HG2 THR 103 -71.482 -15.039 -23.435 758 3HG2 THR 103 3HG2 THR 103 -71.582 -15.859 -25.003 759 H PHE 104 H PHE 104 -68.541 -18.609 -24.471 760 HA PHE 104 HA PHE 104 -68.322 -21.116 -22.835 761 1HB PHE 104 1HB PHE 104 -66.726 -20.631 -25.357 762 2HB PHE 104 2HB PHE 104 -66.888 -22.105 -24.434 763 HD1 PHE 104 HD1 PHE 104 -69.330 -23.129 -24.259 764 HD2 PHE 104 HD2 PHE 104 -68.083 -20.310 -27.272 765 HE1 PHE 104 HE1 PHE 104 -71.205 -23.852 -25.718 766 HE2 PHE 104 HE2 PHE 104 -69.943 -21.046 -28.734 767 HZ PHE 104 HZ PHE 104 -71.523 -22.803 -27.944 768 H SER 105 H SER 105 -66.496 -21.461 -21.650 769 HA SER 105 HA SER 105 -65.025 -19.132 -20.751 770 1HB SER 105 1HB SER 105 -63.980 -20.791 -19.211 771 2HB SER 105 2HB SER 105 -65.750 -20.806 -19.180 772 HG SER 105 HG SER 105 -64.858 -22.929 -19.292 773 H SER 106 H SER 106 -64.352 -21.544 -23.171 774 HA SER 106 HA SER 106 -61.671 -20.430 -23.665 775 1HB SER 106 1HB SER 106 -61.083 -22.096 -22.064 776 2HB SER 106 2HB SER 106 -62.218 -23.268 -22.742 777 HG SER 106 HG SER 106 -59.944 -23.593 -23.270 778 HA PRO 107 HA PRO 107 -62.785 -21.287 -27.941 779 1HB PRO 107 1HB PRO 107 -59.905 -22.178 -28.185 780 2HB PRO 107 2HB PRO 107 -60.833 -21.102 -29.266 781 1HG PRO 107 1HG PRO 107 -59.070 -20.067 -27.492 782 2HG PRO 107 2HG PRO 107 -60.673 -19.288 -27.696 783 1HD PRO 107 1HD PRO 107 -59.766 -21.186 -25.530 784 2HD PRO 107 2HD PRO 107 -60.726 -19.683 -25.398 785 H VAL 108 H VAL 108 -60.936 -23.706 -26.102 786 HA VAL 108 HA VAL 108 -61.378 -25.977 -27.794 787 HB VAL 108 HB VAL 108 -60.955 -25.904 -24.780 788 1HG1 VAL 108 1HG1 VAL 108 -60.515 -28.135 -26.816 789 2HG1 VAL 108 2HG1 VAL 108 -60.030 -28.188 -25.108 790 3HG1 VAL 108 3HG1 VAL 108 -61.741 -28.119 -25.530 791 1HG2 VAL 108 1HG2 VAL 108 -58.942 -26.118 -27.065 792 2HG2 VAL 108 2HG2 VAL 108 -59.103 -24.758 -25.932 793 3HG2 VAL 108 3HG2 VAL 108 -58.567 -26.330 -25.341 794 H VAL 109 H VAL 109 -63.253 -24.653 -25.043 795 HA VAL 109 HA VAL 109 -65.280 -26.715 -25.028 796 HB VAL 109 HB VAL 109 -65.450 -23.832 -24.041 797 1HG1 VAL 109 1HG1 VAL 109 -67.231 -24.683 -22.549 798 2HG1 VAL 109 2HG1 VAL 109 -67.687 -24.868 -24.244 799 3HG1 VAL 109 3HG1 VAL 109 -67.127 -26.279 -23.325 800 1HG2 VAL 109 1HG2 VAL 109 -64.949 -24.787 -21.814 801 2HG2 VAL 109 2HG2 VAL 109 -64.731 -26.395 -22.541 802 3HG2 VAL 109 3HG2 VAL 109 -63.608 -25.075 -22.923 803 H ALA 110 H ALA 110 -64.998 -23.551 -26.673 804 HA ALA 110 HA ALA 110 -67.601 -23.508 -27.819 805 1HB ALA 110 1HB ALA 110 -65.025 -22.305 -28.923 806 2HB ALA 110 2HB ALA 110 -66.686 -21.803 -29.295 807 3HB ALA 110 3HB ALA 110 -66.031 -21.572 -27.660 808 H GLU 111 H GLU 111 -64.492 -24.668 -29.349 809 HA GLU 111 HA GLU 111 -65.832 -25.568 -31.719 810 1HB GLU 111 1HB GLU 111 -63.863 -26.757 -32.305 811 2HB GLU 111 2HB GLU 111 -63.451 -25.152 -31.703 812 1HG GLU 111 1HG GLU 111 -62.734 -26.157 -29.561 813 2HG GLU 111 2HG GLU 111 -63.133 -27.765 -30.170 814 H SER 112 H SER 112 -65.044 -27.349 -28.720 815 HA SER 112 HA SER 112 -66.011 -29.902 -29.535 816 1HB SER 112 1HB SER 112 -65.873 -28.599 -26.798 817 2HB SER 112 2HB SER 112 -66.407 -30.269 -27.052 818 HG SER 112 HG SER 112 -64.404 -30.768 -27.961 819 H HIS 113 H HIS 113 -67.821 -27.073 -28.257 820 HA HIS 113 HA HIS 113 -70.345 -28.461 -28.010 821 1HB HIS 113 1HB HIS 113 -70.043 -26.392 -26.827 822 2HB HIS 113 2HB HIS 113 -69.599 -25.527 -28.295 823 HD1 HIS 113 HD1 HIS 113 -72.746 -27.043 -26.652 824 HD2 HIS 113 HD2 HIS 113 -71.534 -24.639 -29.888 825 HE1 HIS 113 HE1 HIS 113 -74.882 -26.120 -27.715 826 H TYR 114 H TYR 114 -68.979 -26.378 -30.643 827 HA TYR 114 HA TYR 114 -71.217 -26.615 -32.373 828 1HB TYR 114 1HB TYR 114 -68.304 -25.945 -32.845 829 2HB TYR 114 2HB TYR 114 -69.440 -26.067 -34.179 830 HD1 TYR 114 HD1 TYR 114 -68.067 -23.778 -31.848 831 HD2 TYR 114 HD2 TYR 114 -71.720 -24.756 -33.925 832 HE1 TYR 114 HE1 TYR 114 -68.917 -21.479 -31.427 833 HE2 TYR 114 HE2 TYR 114 -72.528 -22.425 -33.570 834 HH TYR 114 HH TYR 114 -70.655 -19.997 -31.744 835 H ILE 115 H ILE 115 -68.418 -28.833 -32.078 836 HA ILE 115 HA ILE 115 -69.424 -30.441 -34.346 837 HB ILE 115 HB ILE 115 -67.515 -31.860 -34.069 838 1HG1 ILE 115 1HG1 ILE 115 -65.649 -31.043 -32.456 839 2HG1 ILE 115 2HG1 ILE 115 -66.952 -30.326 -31.520 840 1HG2 ILE 115 1HG2 ILE 115 -65.810 -30.267 -34.685 841 2HG2 ILE 115 2HG2 ILE 115 -67.365 -29.737 -35.340 842 3HG2 ILE 115 3HG2 ILE 115 -66.686 -28.939 -33.904 843 1HD1 ILE 115 1HD1 ILE 115 -66.774 -33.281 -32.227 844 2HD1 ILE 115 2HD1 ILE 115 -66.184 -32.562 -30.716 845 3HD1 ILE 115 3HD1 ILE 115 -67.909 -32.527 -31.079 846 H GLY 116 H GLY 116 -70.267 -30.281 -31.095 847 1HA GLY 116 1HA GLY 116 -70.868 -33.161 -30.769 848 2HA GLY 116 2HA GLY 116 -71.021 -31.897 -29.556 849 H LYS 117 H LYS 117 -72.965 -33.883 -30.069 850 HA LYS 117 HA LYS 117 -75.064 -32.941 -31.751 851 1HB LYS 117 1HB LYS 117 -76.382 -34.729 -30.955 852 2HB LYS 117 2HB LYS 117 -74.729 -35.280 -31.093 853 1HG LYS 117 1HG LYS 117 -75.239 -36.230 -29.101 854 2HG LYS 117 2HG LYS 117 -74.623 -34.696 -28.483 855 1HD LYS 117 1HD LYS 117 -76.971 -33.862 -28.266 856 2HD LYS 117 2HD LYS 117 -77.568 -35.368 -28.990 857 1HE LYS 117 1HE LYS 117 -76.509 -36.656 -27.125 858 2HE LYS 117 2HE LYS 117 -75.965 -35.141 -26.395 859 1HZ LYS 117 1HZ LYS 117 -78.808 -35.900 -26.831 860 2HZ LYS 117 2HZ LYS 117 -78.035 -35.925 -25.396 861 3HZ LYS 117 3HZ LYS 117 -78.304 -34.500 -26.142 862 H THR 118 H THR 118 -74.212 -31.744 -28.649 863 HA THR 118 HA THR 118 -76.721 -30.823 -27.665 864 HB THR 118 HB THR 118 -74.071 -29.340 -27.476 865 HG1 THR 118 HG1 THR 118 -75.024 -31.412 -25.791 866 1HG2 THR 118 1HG2 THR 118 -76.442 -29.537 -25.560 867 2HG2 THR 118 2HG2 THR 118 -74.900 -28.718 -25.218 868 3HG2 THR 118 3HG2 THR 118 -75.962 -28.105 -26.493 869 H HIS 119 H HIS 119 -74.497 -29.394 -30.081 870 HA HIS 119 HA HIS 119 -76.040 -26.968 -30.500 871 1HB HIS 119 1HB HIS 119 -73.612 -27.283 -31.024 872 2HB HIS 119 2HB HIS 119 -74.055 -28.367 -32.342 873 HD2 HIS 119 HD2 HIS 119 -74.381 -27.190 -34.643 874 HE1 HIS 119 HE1 HIS 119 -74.928 -23.173 -33.320 875 HE2 HIS 119 HE2 HIS 119 -74.691 -24.672 -35.366 876 H ILE 120 H ILE 120 -75.880 -30.142 -32.127 877 HA ILE 120 HA ILE 120 -77.780 -29.642 -34.196 878 HB ILE 120 HB ILE 120 -76.718 -32.155 -32.913 879 1HG1 ILE 120 1HG1 ILE 120 -76.324 -30.809 -35.631 880 2HG1 ILE 120 2HG1 ILE 120 -75.221 -30.684 -34.273 881 1HG2 ILE 120 1HG2 ILE 120 -77.750 -33.470 -34.730 882 2HG2 ILE 120 2HG2 ILE 120 -78.945 -32.777 -33.658 883 3HG2 ILE 120 3HG2 ILE 120 -78.655 -32.027 -35.254 884 1HD1 ILE 120 1HD1 ILE 120 -74.854 -33.169 -34.351 885 2HD1 ILE 120 2HD1 ILE 120 -75.809 -33.209 -35.857 886 3HD1 ILE 120 3HD1 ILE 120 -74.304 -32.285 -35.789 887 H LYS 121 H LYS 121 -78.316 -30.800 -30.852 888 HA LYS 121 HA LYS 121 -81.118 -31.334 -31.088 889 1HB LYS 121 1HB LYS 121 -79.696 -31.940 -29.135 890 2HB LYS 121 2HB LYS 121 -79.573 -30.228 -28.695 891 1HG LYS 121 1HG LYS 121 -82.031 -30.127 -28.371 892 2HG LYS 121 2HG LYS 121 -82.167 -31.833 -28.855 893 1HD LYS 121 1HD LYS 121 -80.803 -32.492 -26.915 894 2HD LYS 121 2HD LYS 121 -80.627 -30.779 -26.451 895 1HE LYS 121 1HE LYS 121 -83.099 -30.597 -26.231 896 2HE LYS 121 2HE LYS 121 -83.267 -32.301 -26.670 897 1HZ LYS 121 1HZ LYS 121 -81.838 -31.299 -24.261 898 2HZ LYS 121 2HZ LYS 121 -83.313 -31.992 -24.261 899 3HZ LYS 121 3HZ LYS 121 -82.005 -32.876 -24.664 900 H ASN 122 H ASN 122 -79.370 -28.285 -30.600 901 HA ASN 122 HA ASN 122 -81.793 -26.671 -30.380 902 1HB ASN 122 1HB ASN 122 -78.850 -25.992 -30.696 903 2HB ASN 122 2HB ASN 122 -80.120 -24.774 -30.729 904 1HD2 ASN 122 1HD2 ASN 122 -78.547 -27.226 -28.606 905 2HD2 ASN 122 2HD2 ASN 122 -79.215 -26.514 -27.148 906 H LEU 123 H LEU 123 -79.594 -27.550 -33.123 907 HA LEU 123 HA LEU 123 -80.822 -25.886 -35.100 908 1HB LEU 123 1HB LEU 123 -79.834 -28.738 -35.543 909 2HB LEU 123 2HB LEU 123 -80.107 -27.517 -36.767 910 HG LEU 123 HG LEU 123 -77.910 -27.493 -34.674 911 1HD1 LEU 123 1HD1 LEU 123 -76.428 -27.855 -36.560 912 2HD1 LEU 123 2HD1 LEU 123 -77.666 -29.123 -36.552 913 3HD1 LEU 123 3HD1 LEU 123 -77.793 -27.779 -37.698 914 1HD2 LEU 123 1HD2 LEU 123 -76.989 -25.591 -35.890 915 2HD2 LEU 123 2HD2 LEU 123 -78.449 -25.511 -36.907 916 3HD2 LEU 123 3HD2 LEU 123 -78.549 -25.192 -35.154 917 H ARG 124 H ARG 124 -81.654 -29.192 -34.045 918 HA ARG 124 HA ARG 124 -83.991 -29.572 -35.663 919 1HB ARG 124 1HB ARG 124 -83.139 -30.778 -32.995 920 2HB ARG 124 2HB ARG 124 -84.543 -31.328 -33.919 921 1HG ARG 124 1HG ARG 124 -83.158 -31.967 -35.808 922 2HG ARG 124 2HG ARG 124 -81.712 -31.272 -35.062 923 1HD ARG 124 1HD ARG 124 -81.877 -32.883 -33.200 924 2HD ARG 124 2HD ARG 124 -83.313 -33.608 -33.955 925 HE ARG 124 HE ARG 124 -81.286 -33.636 -35.905 926 1HH1 ARG 124 1HH1 ARG 124 -81.781 -35.176 -32.798 927 2HH1 ARG 124 2HH1 ARG 124 -80.774 -36.537 -33.209 928 1HH2 ARG 124 1HH2 ARG 124 -80.024 -35.404 -36.369 929 2HH2 ARG 124 2HH2 ARG 124 -79.810 -36.656 -35.183 930 H LEU 125 H LEU 125 -83.665 -28.172 -32.389 931 HA LEU 125 HA LEU 125 -86.457 -27.787 -31.924 932 1HB LEU 125 1HB LEU 125 -84.665 -27.763 -30.223 933 2HB LEU 125 2HB LEU 125 -84.050 -26.249 -30.850 934 HG LEU 125 HG LEU 125 -85.373 -26.188 -28.718 935 1HD1 LEU 125 1HD1 LEU 125 -84.947 -24.151 -30.043 936 2HD1 LEU 125 2HD1 LEU 125 -86.510 -24.373 -30.871 937 3HD1 LEU 125 3HD1 LEU 125 -86.459 -24.094 -29.128 938 1HD2 LEU 125 1HD2 LEU 125 -87.196 -27.734 -29.388 939 2HD2 LEU 125 2HD2 LEU 125 -87.783 -26.188 -28.750 940 3HD2 LEU 125 3HD2 LEU 125 -87.821 -26.489 -30.497 941 H ARG 126 H ARG 126 -84.014 -25.619 -33.441 942 HA ARG 126 HA ARG 126 -85.848 -23.427 -33.962 943 1HB ARG 126 1HB ARG 126 -83.101 -24.208 -34.976 944 2HB ARG 126 2HB ARG 126 -84.032 -23.008 -35.861 945 1HG ARG 126 1HG ARG 126 -82.579 -21.858 -34.356 946 2HG ARG 126 2HG ARG 126 -84.250 -21.606 -33.850 947 1HD ARG 126 1HD ARG 126 -83.944 -23.323 -32.053 948 2HD ARG 126 2HD ARG 126 -82.292 -23.581 -32.628 949 HE ARG 126 HE ARG 126 -81.560 -21.715 -31.551 950 1HH1 ARG 126 1HH1 ARG 126 -85.069 -21.448 -31.512 951 2HH1 ARG 126 2HH1 ARG 126 -85.010 -20.126 -30.378 952 1HH2 ARG 126 1HH2 ARG 126 -81.564 -20.123 -30.174 953 2HH2 ARG 126 2HH2 ARG 126 -83.039 -19.378 -29.621 954 H GLU 127 H GLU 127 -84.945 -26.270 -35.930 955 HA GLU 127 HA GLU 127 -86.530 -25.496 -38.232 956 1HB GLU 127 1HB GLU 127 -85.434 -28.172 -37.280 957 2HB GLU 127 2HB GLU 127 -86.378 -27.986 -38.761 958 1HG GLU 127 1HG GLU 127 -84.749 -26.327 -39.616 959 2HG GLU 127 2HG GLU 127 -83.754 -26.551 -38.182 960 H GLN 128 H GLN 128 -87.304 -27.417 -35.318 961 HA GLN 128 HA GLN 128 -89.904 -28.285 -36.148 962 1HB GLN 128 1HB GLN 128 -88.579 -29.353 -34.361 963 2HB GLN 128 2HB GLN 128 -88.687 -27.895 -33.378 964 1HG GLN 128 1HG GLN 128 -90.215 -29.599 -32.567 965 2HG GLN 128 2HG GLN 128 -91.122 -28.207 -33.128 966 1HE2 GLN 128 1HE2 GLN 128 -92.387 -28.427 -35.132 967 2HE2 GLN 128 2HE2 GLN 128 -92.773 -30.039 -35.741 Start of MODEL 13 1 1H ALA 2 1H ALA 2 -15.612 7.310 -6.228 2 HA ALA 2 HA ALA 2 -18.234 6.607 -5.021 3 1HB ALA 2 1HB ALA 2 -16.364 8.764 -3.943 4 2HB ALA 2 2HB ALA 2 -18.015 8.437 -3.373 5 3HB ALA 2 3HB ALA 2 -16.756 7.215 -3.149 6 H ASP 3 H ASP 3 -17.030 7.586 -7.679 7 HA ASP 3 HA ASP 3 -17.704 10.189 -8.360 8 1HB ASP 3 1HB ASP 3 -17.827 7.695 -10.097 9 2HB ASP 3 2HB ASP 3 -17.640 9.351 -10.667 10 H GLU 4 H GLU 4 -19.975 7.666 -7.744 11 HA GLU 4 HA GLU 4 -22.230 9.368 -8.703 12 1HB GLU 4 1HB GLU 4 -21.532 7.339 -10.205 13 2HB GLU 4 2HB GLU 4 -22.289 6.350 -8.957 14 1HG GLU 4 1HG GLU 4 -24.438 7.595 -9.338 15 2HG GLU 4 2HG GLU 4 -23.621 8.619 -10.517 16 H PHE 5 H PHE 5 -20.842 8.581 -5.997 17 HA PHE 5 HA PHE 5 -22.897 7.202 -4.464 18 1HB PHE 5 1HB PHE 5 -20.439 7.147 -4.010 19 2HB PHE 5 2HB PHE 5 -20.500 8.849 -3.572 20 HD1 PHE 5 HD1 PHE 5 -21.231 9.537 -1.370 21 HD2 PHE 5 HD2 PHE 5 -21.653 5.430 -2.620 22 HE1 PHE 5 HE1 PHE 5 -21.796 8.885 0.957 23 HE2 PHE 5 HE2 PHE 5 -22.196 4.778 -0.285 24 HZ PHE 5 HZ PHE 5 -22.266 6.504 1.507 25 H GLY 6 H GLY 6 -22.365 10.544 -5.337 26 1HA GLY 6 1HA GLY 6 -24.862 11.438 -4.197 27 2HA GLY 6 2HA GLY 6 -23.486 12.019 -3.256 28 H ASN 7 H ASN 7 -24.739 14.016 -4.080 29 HA ASN 7 HA ASN 7 -23.386 15.100 -6.505 30 1HB ASN 7 1HB ASN 7 -25.427 16.052 -7.293 31 2HB ASN 7 2HB ASN 7 -25.725 14.342 -7.022 32 1HD2 ASN 7 1HD2 ASN 7 -27.801 16.249 -7.251 33 2HD2 ASN 7 2HD2 ASN 7 -28.594 16.358 -5.684 34 H GLY 8 H GLY 8 -23.049 15.430 -3.452 35 1HA GLY 8 1HA GLY 8 -22.295 18.201 -3.455 36 2HA GLY 8 2HA GLY 8 -23.789 17.974 -2.541 37 H ASP 9 H ASP 9 -22.080 18.909 -0.955 38 HA ASP 9 HA ASP 9 -19.999 17.365 0.168 39 1HB ASP 9 1HB ASP 9 -20.322 19.776 0.513 40 2HB ASP 9 2HB ASP 9 -21.788 19.470 1.447 41 H ALA 10 H ALA 10 -19.926 15.615 1.444 42 HA ALA 10 HA ALA 10 -22.118 14.889 3.282 43 1HB ALA 10 1HB ALA 10 -22.288 12.612 2.317 44 2HB ALA 10 2HB ALA 10 -22.732 13.838 1.117 45 3HB ALA 10 3HB ALA 10 -21.137 13.058 1.038 46 H LEU 11 H LEU 11 -21.510 13.019 4.671 47 HA LEU 11 HA LEU 11 -18.568 12.819 5.118 48 1HB LEU 11 1HB LEU 11 -19.742 14.425 6.676 49 2HB LEU 11 2HB LEU 11 -20.653 13.048 7.293 50 HG LEU 11 HG LEU 11 -18.325 11.962 7.764 51 1HD1 LEU 11 1HD1 LEU 11 -17.437 14.868 7.566 52 2HD1 LEU 11 2HD1 LEU 11 -16.463 13.477 8.101 53 3HD1 LEU 11 3HD1 LEU 11 -16.987 13.597 6.417 54 1HD2 LEU 11 1HD2 LEU 11 -18.096 13.140 9.909 55 2HD2 LEU 11 2HD2 LEU 11 -19.153 14.447 9.318 56 3HD2 LEU 11 3HD2 LEU 11 -19.796 12.803 9.546 57 H ASP 12 H ASP 12 -18.803 10.971 3.802 58 HA ASP 12 HA ASP 12 -20.019 8.510 4.845 59 1HB ASP 12 1HB ASP 12 -19.942 8.957 2.455 60 2HB ASP 12 2HB ASP 12 -18.194 9.126 2.497 61 H LEU 13 H LEU 13 -18.722 9.275 6.903 62 HA LEU 13 HA LEU 13 -16.295 7.586 7.242 63 1HB LEU 13 1HB LEU 13 -16.580 10.578 7.844 64 2HB LEU 13 2HB LEU 13 -15.409 9.593 8.650 65 HG LEU 13 HG LEU 13 -14.913 8.948 5.981 66 1HD1 LEU 13 1HD1 LEU 13 -15.353 11.960 6.171 67 2HD1 LEU 13 2HD1 LEU 13 -14.772 11.048 4.762 68 3HD1 LEU 13 3HD1 LEU 13 -16.444 10.860 5.310 69 1HD2 LEU 13 1HD2 LEU 13 -12.892 10.299 6.270 70 2HD2 LEU 13 2HD2 LEU 13 -13.628 11.120 7.661 71 3HD2 LEU 13 3HD2 LEU 13 -13.248 9.386 7.735 72 HA PRO 14 HA PRO 14 -18.148 6.553 11.154 73 1HB PRO 14 1HB PRO 14 -16.024 6.394 12.899 74 2HB PRO 14 2HB PRO 14 -16.333 5.195 11.606 75 1HG PRO 14 1HG PRO 14 -14.453 7.562 11.510 76 2HG PRO 14 2HG PRO 14 -14.111 5.861 11.079 77 1HD PRO 14 1HD PRO 14 -14.738 7.663 9.181 78 2HD PRO 14 2HD PRO 14 -15.420 6.023 9.091 79 H VAL 15 H VAL 15 -18.764 7.405 13.224 80 HA VAL 15 HA VAL 15 -17.924 10.176 13.881 81 HB VAL 15 HB VAL 15 -20.880 9.573 13.931 82 1HG1 VAL 15 1HG1 VAL 15 -21.041 12.015 13.621 83 2HG1 VAL 15 2HG1 VAL 15 -19.977 11.674 14.984 84 3HG1 VAL 15 3HG1 VAL 15 -19.279 12.132 13.421 85 1HG2 VAL 15 1HG2 VAL 15 -20.362 9.079 11.592 86 2HG2 VAL 15 2HG2 VAL 15 -21.188 10.627 11.720 87 3HG2 VAL 15 3HG2 VAL 15 -19.433 10.591 11.452 88 H GLY 16 H GLY 16 -17.287 7.671 15.127 89 1HA GLY 16 1HA GLY 16 -17.521 8.353 17.855 90 2HA GLY 16 2HA GLY 16 -18.776 7.156 17.520 91 H LYS 17 H LYS 17 -16.768 6.633 19.348 92 HA LYS 17 HA LYS 17 -14.431 5.353 18.394 93 1HB LYS 17 1HB LYS 17 -15.978 4.600 20.912 94 2HB LYS 17 2HB LYS 17 -14.293 4.235 20.531 95 1HG LYS 17 1HG LYS 17 -14.262 6.952 20.235 96 2HG LYS 17 2HG LYS 17 -15.544 6.800 21.435 97 1HD LYS 17 1HD LYS 17 -12.729 5.643 21.651 98 2HD LYS 17 2HD LYS 17 -13.284 7.140 22.435 99 1HE LYS 17 1HE LYS 17 -14.886 5.823 23.757 100 2HE LYS 17 2HE LYS 17 -14.332 4.344 22.940 101 1HZ LYS 17 1HZ LYS 17 -13.165 4.549 25.027 102 2HZ LYS 17 2HZ LYS 17 -12.073 4.832 23.831 103 3HZ LYS 17 3HZ LYS 17 -12.683 6.074 24.698 104 H ASP 18 H ASP 18 -17.624 3.937 18.977 105 HA ASP 18 HA ASP 18 -16.967 1.209 18.443 106 1HB ASP 18 1HB ASP 18 -19.580 2.724 18.050 107 2HB ASP 18 2HB ASP 18 -19.414 0.972 17.962 108 H ALA 19 H ALA 19 -18.023 3.810 16.194 109 HA ALA 19 HA ALA 19 -18.095 2.122 13.859 110 1HB ALA 19 1HB ALA 19 -18.196 4.234 12.625 111 2HB ALA 19 2HB ALA 19 -19.312 4.262 14.005 112 3HB ALA 19 3HB ALA 19 -17.767 5.144 14.094 113 H VAL 20 H VAL 20 -15.533 4.246 15.258 114 HA VAL 20 HA VAL 20 -13.599 3.764 13.169 115 HB VAL 20 HB VAL 20 -13.231 4.598 16.072 116 1HG1 VAL 20 1HG1 VAL 20 -10.940 5.374 15.253 117 2HG1 VAL 20 2HG1 VAL 20 -11.125 3.628 15.422 118 3HG1 VAL 20 3HG1 VAL 20 -11.203 4.373 13.812 119 1HG2 VAL 20 1HG2 VAL 20 -12.802 6.819 15.071 120 2HG2 VAL 20 2HG2 VAL 20 -13.084 6.157 13.449 121 3HG2 VAL 20 3HG2 VAL 20 -14.408 6.245 14.631 122 H ASN 21 H ASN 21 -14.154 2.070 16.311 123 HA ASN 21 HA ASN 21 -12.047 0.156 15.985 124 1HB ASN 21 1HB ASN 21 -14.682 0.086 17.518 125 2HB ASN 21 2HB ASN 21 -13.491 -1.210 17.597 126 1HD2 ASN 21 1HD2 ASN 21 -14.376 0.363 19.845 127 2HD2 ASN 21 2HD2 ASN 21 -12.943 1.191 20.433 128 H SER 22 H SER 22 -15.488 0.021 14.931 129 HA SER 22 HA SER 22 -15.363 -2.626 13.824 130 1HB SER 22 1HB SER 22 -17.448 -1.379 14.367 131 2HB SER 22 2HB SER 22 -17.129 -0.283 13.007 132 HG SER 22 HG SER 22 -18.556 -2.038 12.476 133 H LEU 23 H LEU 23 -14.834 0.603 12.330 134 HA LEU 23 HA LEU 23 -14.332 -0.263 9.668 135 1HB LEU 23 1HB LEU 23 -14.831 2.066 10.434 136 2HB LEU 23 2HB LEU 23 -13.267 2.128 11.240 137 HG LEU 23 HG LEU 23 -12.141 1.907 9.003 138 1HD1 LEU 23 1HD1 LEU 23 -13.507 2.366 6.979 139 2HD1 LEU 23 2HD1 LEU 23 -13.980 0.833 7.721 140 3HD1 LEU 23 3HD1 LEU 23 -14.990 2.274 7.956 141 1HD2 LEU 23 1HD2 LEU 23 -12.687 4.229 8.313 142 2HD2 LEU 23 2HD2 LEU 23 -14.137 4.178 9.347 143 3HD2 LEU 23 3HD2 LEU 23 -12.517 4.091 10.072 144 H ILE 24 H ILE 24 -12.090 0.168 12.423 145 HA ILE 24 HA ILE 24 -9.682 -0.557 11.021 146 HB ILE 24 HB ILE 24 -10.500 -0.599 13.947 147 1HG1 ILE 24 1HG1 ILE 24 -8.423 1.136 12.536 148 2HG1 ILE 24 2HG1 ILE 24 -10.111 1.608 12.664 149 1HG2 ILE 24 1HG2 ILE 24 -7.812 -1.332 12.740 150 2HG2 ILE 24 2HG2 ILE 24 -8.052 -0.960 14.465 151 3HG2 ILE 24 3HG2 ILE 24 -8.833 -2.361 13.766 152 1HD1 ILE 24 1HD1 ILE 24 -9.934 1.404 15.181 153 2HD1 ILE 24 2HD1 ILE 24 -8.178 1.192 14.977 154 3HD1 ILE 24 3HD1 ILE 24 -8.956 2.688 14.456 155 H ARG 25 H ARG 25 -11.949 -2.523 13.029 156 HA ARG 25 HA ARG 25 -10.584 -4.999 12.718 157 1HB ARG 25 1HB ARG 25 -12.222 -4.580 14.481 158 2HB ARG 25 2HB ARG 25 -13.512 -4.429 13.285 159 1HG ARG 25 1HG ARG 25 -13.585 -6.608 14.360 160 2HG ARG 25 2HG ARG 25 -13.251 -6.762 12.639 161 1HD ARG 25 1HD ARG 25 -10.772 -7.027 13.242 162 2HD ARG 25 2HD ARG 25 -11.271 -7.060 14.930 163 HE ARG 25 HE ARG 25 -12.096 -9.217 14.642 164 1HH1 ARG 25 1HH1 ARG 25 -11.429 -7.953 11.403 165 2HH1 ARG 25 2HH1 ARG 25 -11.577 -9.536 10.694 166 1HH2 ARG 25 1HH2 ARG 25 -12.294 -11.170 13.624 167 2HH2 ARG 25 2HH2 ARG 25 -12.067 -11.289 11.903 168 H GLU 26 H GLU 26 -13.187 -3.647 10.684 169 HA GLU 26 HA GLU 26 -13.319 -6.024 8.998 170 1HB GLU 26 1HB GLU 26 -14.422 -3.208 8.674 171 2HB GLU 26 2HB GLU 26 -14.743 -4.527 7.547 172 1HG GLU 26 1HG GLU 26 -15.494 -4.564 10.503 173 2HG GLU 26 2HG GLU 26 -16.581 -4.176 9.178 174 H ASN 27 H ASN 27 -11.086 -3.441 9.072 175 HA ASN 27 HA ASN 27 -10.046 -4.184 6.368 176 1HB ASN 27 1HB ASN 27 -10.148 -1.425 7.616 177 2HB ASN 27 2HB ASN 27 -9.382 -1.813 6.082 178 1HD2 ASN 27 1HD2 ASN 27 -12.378 -1.146 7.673 179 2HD2 ASN 27 2HD2 ASN 27 -13.389 -1.189 6.212 180 H SER 28 H SER 28 -9.300 -5.389 8.851 181 HA SER 28 HA SER 28 -7.051 -4.383 10.140 182 1HB SER 28 1HB SER 28 -6.612 -6.713 10.807 183 2HB SER 28 2HB SER 28 -8.317 -6.257 10.969 184 HG SER 28 HG SER 28 -8.029 -8.324 9.964 185 H HIS 29 H HIS 29 -7.102 -5.548 6.891 186 HA HIS 29 HA HIS 29 -4.296 -6.290 6.666 187 1HB HIS 29 1HB HIS 29 -4.813 -6.447 4.287 188 2HB HIS 29 2HB HIS 29 -6.031 -7.275 5.246 189 HD2 HIS 29 HD2 HIS 29 -5.826 -5.106 2.342 190 HE1 HIS 29 HE1 HIS 29 -9.649 -4.136 3.965 191 HE2 HIS 29 HE2 HIS 29 -8.148 -3.937 1.919 192 H ILE 30 H ILE 30 -5.931 -3.253 6.724 193 HA ILE 30 HA ILE 30 -3.457 -1.842 5.821 194 HB ILE 30 HB ILE 30 -4.930 -0.139 4.714 195 1HG1 ILE 30 1HG1 ILE 30 -7.048 -2.330 4.795 196 2HG1 ILE 30 2HG1 ILE 30 -7.096 -0.830 5.715 197 1HG2 ILE 30 1HG2 ILE 30 -4.945 -1.295 2.595 198 2HG2 ILE 30 2HG2 ILE 30 -3.524 -1.795 3.507 199 3HG2 ILE 30 3HG2 ILE 30 -4.927 -2.875 3.403 200 1HD1 ILE 30 1HD1 ILE 30 -8.533 -0.617 3.797 201 2HD1 ILE 30 2HD1 ILE 30 -7.138 0.451 3.562 202 3HD1 ILE 30 3HD1 ILE 30 -7.241 -1.095 2.687 203 H PHE 31 H PHE 31 -6.158 -1.886 8.037 204 HA PHE 31 HA PHE 31 -5.141 0.621 9.344 205 1HB PHE 31 1HB PHE 31 -7.908 -0.616 9.510 206 2HB PHE 31 2HB PHE 31 -7.416 0.902 10.222 207 HD1 PHE 31 HD1 PHE 31 -5.965 1.665 7.298 208 HD2 PHE 31 HD2 PHE 31 -9.881 0.589 8.740 209 HE1 PHE 31 HE1 PHE 31 -6.984 2.602 5.250 210 HE2 PHE 31 HE2 PHE 31 -10.899 1.550 6.693 211 HZ PHE 31 HZ PHE 31 -9.449 2.503 4.919 212 H SER 32 H SER 32 -5.141 0.585 11.683 213 HA SER 32 HA SER 32 -5.714 -1.900 13.120 214 1HB SER 32 1HB SER 32 -3.509 -2.325 13.947 215 2HB SER 32 2HB SER 32 -3.444 -2.339 12.181 216 HG SER 32 HG SER 32 -2.702 -0.157 12.290 217 H ASP 33 H ASP 33 -5.109 -1.654 15.482 218 HA ASP 33 HA ASP 33 -6.344 0.652 16.585 219 1HB ASP 33 1HB ASP 33 -6.173 -1.662 17.558 220 2HB ASP 33 2HB ASP 33 -4.470 -1.355 17.907 221 H THR 34 H THR 34 -3.020 0.234 15.585 222 HA THR 34 HA THR 34 -2.274 2.825 16.845 223 HB THR 34 HB THR 34 -0.023 1.905 17.368 224 HG1 THR 34 HG1 THR 34 0.197 -0.342 17.393 225 1HG2 THR 34 1HG2 THR 34 -0.618 0.720 19.376 226 2HG2 THR 34 2HG2 THR 34 -1.788 2.024 19.118 227 3HG2 THR 34 3HG2 THR 34 -2.237 0.343 18.750 228 H GLN 35 H GLN 35 -2.619 1.520 13.842 229 HA GLN 35 HA GLN 35 -0.793 3.492 12.694 230 1HB GLN 35 1HB GLN 35 0.671 1.446 13.198 231 2HB GLN 35 2HB GLN 35 -0.346 0.526 12.100 232 1HG GLN 35 1HG GLN 35 0.354 2.183 10.259 233 2HG GLN 35 2HG GLN 35 1.499 2.852 11.425 234 1HE2 GLN 35 1HE2 GLN 35 3.527 1.769 11.570 235 2HE2 GLN 35 2HE2 GLN 35 3.818 0.217 10.800 236 H CYS 36 H CYS 36 -1.270 4.038 10.599 237 HA CYS 36 HA CYS 36 -3.417 2.518 9.135 238 1HB CYS 36 1HB CYS 36 -4.235 4.745 9.892 239 2HB CYS 36 2HB CYS 36 -2.854 5.508 9.099 240 H LYS 37 H LYS 37 -2.476 1.443 7.454 241 HA LYS 37 HA LYS 37 0.130 2.252 6.362 242 1HB LYS 37 1HB LYS 37 -1.799 0.015 5.656 243 2HB LYS 37 2HB LYS 37 -0.257 0.297 4.837 244 1HG LYS 37 1HG LYS 37 0.962 0.106 6.978 245 2HG LYS 37 2HG LYS 37 -0.563 -0.207 7.834 246 1HD LYS 37 1HD LYS 37 -0.916 -2.258 6.578 247 2HD LYS 37 2HD LYS 37 0.443 -1.882 5.511 248 1HE LYS 37 1HE LYS 37 1.065 -3.620 7.107 249 2HE LYS 37 2HE LYS 37 2.051 -2.172 7.311 250 1HZ LYS 37 1HZ LYS 37 -0.295 -2.799 9.024 251 2HZ LYS 37 2HZ LYS 37 1.249 -3.148 9.426 252 3HZ LYS 37 3HZ LYS 37 0.806 -1.594 9.261 253 H VAL 38 H VAL 38 -3.221 2.639 5.257 254 HA VAL 38 HA VAL 38 -2.673 3.401 2.537 255 HB VAL 38 HB VAL 38 -4.930 4.094 4.450 256 1HG1 VAL 38 1HG1 VAL 38 -4.724 4.883 1.514 257 2HG1 VAL 38 2HG1 VAL 38 -6.206 4.914 2.490 258 3HG1 VAL 38 3HG1 VAL 38 -4.882 5.984 2.909 259 1HG2 VAL 38 1HG2 VAL 38 -4.800 1.770 3.638 260 2HG2 VAL 38 2HG2 VAL 38 -6.199 2.589 2.929 261 3HG2 VAL 38 3HG2 VAL 38 -4.733 2.337 1.964 262 H CYS 39 H CYS 39 -2.578 5.265 5.543 263 HA CYS 39 HA CYS 39 -1.704 7.711 4.108 264 1HB CYS 39 1HB CYS 39 -2.717 7.239 6.926 265 2HB CYS 39 2HB CYS 39 -2.363 8.795 6.189 266 H SER 40 H SER 40 -0.227 5.087 5.187 267 HA SER 40 HA SER 40 1.571 4.436 6.391 268 1HB SER 40 1HB SER 40 2.864 6.638 4.723 269 2HB SER 40 2HB SER 40 3.631 5.151 5.302 270 HG SER 40 HG SER 40 1.988 4.018 3.996 271 H ALA 41 H ALA 41 0.390 5.616 8.243 272 HA ALA 41 HA ALA 41 2.432 7.228 9.722 273 1HB ALA 41 1HB ALA 41 -0.533 7.893 9.483 274 2HB ALA 41 2HB ALA 41 0.647 8.749 10.497 275 3HB ALA 41 3HB ALA 41 0.807 8.791 8.732 276 H VAL 42 H VAL 42 2.438 7.109 11.915 277 HA VAL 42 HA VAL 42 1.188 4.714 13.140 278 HB VAL 42 HB VAL 42 3.326 6.625 14.191 279 1HG1 VAL 42 1HG1 VAL 42 2.195 5.514 16.078 280 2HG1 VAL 42 2HG1 VAL 42 2.386 3.932 15.285 281 3HG1 VAL 42 3HG1 VAL 42 3.803 4.839 15.854 282 1HG2 VAL 42 1HG2 VAL 42 4.887 4.740 13.763 283 2HG2 VAL 42 2HG2 VAL 42 3.563 3.810 13.031 284 3HG2 VAL 42 3HG2 VAL 42 4.149 5.304 12.266 285 H LEU 43 H LEU 43 -0.035 4.813 14.985 286 HA LEU 43 HA LEU 43 -1.337 7.395 15.747 287 1HB LEU 43 1HB LEU 43 -2.636 4.680 15.266 288 2HB LEU 43 2HB LEU 43 -3.466 6.121 15.817 289 HG LEU 43 HG LEU 43 -2.047 5.915 13.115 290 1HD1 LEU 43 1HD1 LEU 43 -3.871 4.304 13.189 291 2HD1 LEU 43 2HD1 LEU 43 -4.990 5.559 13.738 292 3HD1 LEU 43 3HD1 LEU 43 -4.264 5.664 12.128 293 1HD2 LEU 43 1HD2 LEU 43 -4.081 7.922 14.175 294 2HD2 LEU 43 2HD2 LEU 43 -2.351 8.238 13.948 295 3HD2 LEU 43 3HD2 LEU 43 -3.367 7.891 12.545 296 H ILE 44 H ILE 44 0.390 7.305 17.313 297 HA ILE 44 HA ILE 44 0.943 5.344 19.175 298 HB ILE 44 HB ILE 44 1.966 7.107 20.541 299 1HG1 ILE 44 1HG1 ILE 44 0.754 9.103 18.574 300 2HG1 ILE 44 2HG1 ILE 44 0.185 8.851 20.225 301 1HG2 ILE 44 1HG2 ILE 44 2.505 7.556 17.576 302 2HG2 ILE 44 2HG2 ILE 44 3.631 7.754 18.930 303 3HG2 ILE 44 3HG2 ILE 44 3.060 6.143 18.502 304 1HD1 ILE 44 1HD1 ILE 44 2.920 9.906 19.414 305 2HD1 ILE 44 2HD1 ILE 44 1.598 10.797 20.181 306 3HD1 ILE 44 3HD1 ILE 44 2.436 9.519 21.084 307 H SER 45 H SER 45 -2.029 7.027 19.252 308 HA SER 45 HA SER 45 -2.758 5.735 21.778 309 1HB SER 45 1HB SER 45 -1.781 7.976 22.447 310 2HB SER 45 2HB SER 45 -3.064 8.752 21.494 311 HG SER 45 HG SER 45 -3.580 8.507 23.750 312 H GLU 46 H GLU 46 -5.082 5.833 22.156 313 HA GLU 46 HA GLU 46 -6.693 5.431 19.824 314 1HB GLU 46 1HB GLU 46 -7.180 4.415 21.972 315 2HB GLU 46 2HB GLU 46 -7.516 5.995 22.699 316 1HG GLU 46 1HG GLU 46 -9.495 6.292 21.440 317 2HG GLU 46 2HG GLU 46 -9.029 5.095 20.231 318 H SER 47 H SER 47 -6.150 8.421 21.765 319 HA SER 47 HA SER 47 -8.215 9.976 20.546 320 1HB SER 47 1HB SER 47 -6.922 11.918 21.250 321 2HB SER 47 2HB SER 47 -7.029 10.704 22.537 322 HG SER 47 HG SER 47 -4.907 11.359 22.446 323 H GLN 48 H GLN 48 -4.913 9.242 19.454 324 HA GLN 48 HA GLN 48 -4.974 11.046 17.166 325 1HB GLN 48 1HB GLN 48 -3.222 8.574 17.502 326 2HB GLN 48 2HB GLN 48 -2.948 9.962 16.457 327 1HG GLN 48 1HG GLN 48 -2.771 9.861 19.490 328 2HG GLN 48 2HG GLN 48 -1.470 10.106 18.333 329 1HE2 GLN 48 1HE2 GLN 48 -3.929 11.719 20.243 330 2HE2 GLN 48 2HE2 GLN 48 -3.584 13.327 19.619 331 H LYS 49 H LYS 49 -5.542 7.551 17.664 332 HA LYS 49 HA LYS 49 -6.133 6.903 14.938 333 1HB LYS 49 1HB LYS 49 -6.113 4.847 15.801 334 2HB LYS 49 2HB LYS 49 -5.924 5.537 17.402 335 1HG LYS 49 1HG LYS 49 -8.422 5.573 17.636 336 2HG LYS 49 2HG LYS 49 -8.538 4.749 16.071 337 1HD LYS 49 1HD LYS 49 -7.273 2.824 17.024 338 2HD LYS 49 2HD LYS 49 -7.142 3.683 18.575 339 1HE LYS 49 1HE LYS 49 -9.710 3.934 18.445 340 2HE LYS 49 2HE LYS 49 -9.639 2.712 17.153 341 1HZ LYS 49 1HZ LYS 49 -8.370 1.368 18.990 342 2HZ LYS 49 2HZ LYS 49 -9.142 2.388 20.032 343 3HZ LYS 49 3HZ LYS 49 -10.017 1.467 19.014 344 H LEU 50 H LEU 50 -8.310 7.892 17.552 345 HA LEU 50 HA LEU 50 -10.736 7.819 16.037 346 1HB LEU 50 1HB LEU 50 -9.889 9.454 18.473 347 2HB LEU 50 2HB LEU 50 -11.526 9.476 17.818 348 HG LEU 50 HG LEU 50 -10.133 6.996 18.907 349 1HD1 LEU 50 1HD1 LEU 50 -10.775 8.762 20.597 350 2HD1 LEU 50 2HD1 LEU 50 -12.468 8.560 20.064 351 3HD1 LEU 50 3HD1 LEU 50 -11.580 7.206 20.786 352 1HD2 LEU 50 1HD2 LEU 50 -12.984 7.358 17.947 353 2HD2 LEU 50 2HD2 LEU 50 -11.732 6.309 17.237 354 3HD2 LEU 50 3HD2 LEU 50 -12.340 5.955 18.845 355 H ALA 51 H ALA 51 -8.420 10.561 16.507 356 HA ALA 51 HA ALA 51 -10.029 12.350 14.907 357 1HB ALA 51 1HB ALA 51 -8.359 13.125 16.570 358 2HB ALA 51 2HB ALA 51 -7.049 12.407 15.606 359 3HB ALA 51 3HB ALA 51 -7.990 13.768 14.958 360 H HIS 52 H HIS 52 -7.278 10.195 14.096 361 HA HIS 52 HA HIS 52 -6.963 11.071 11.404 362 1HB HIS 52 1HB HIS 52 -5.314 9.778 12.748 363 2HB HIS 52 2HB HIS 52 -6.348 8.351 12.638 364 HD1 HIS 52 HD1 HIS 52 -3.862 10.390 10.617 365 HD2 HIS 52 HD2 HIS 52 -6.608 7.238 10.093 366 HE1 HIS 52 HE1 HIS 52 -3.395 9.398 8.310 367 H TYR 53 H TYR 53 -8.802 8.205 12.669 368 HA TYR 53 HA TYR 53 -9.725 7.506 10.023 369 1HB TYR 53 1HB TYR 53 -10.540 6.563 12.784 370 2HB TYR 53 2HB TYR 53 -11.215 5.907 11.298 371 HD1 TYR 53 HD1 TYR 53 -8.791 5.210 13.702 372 HD2 TYR 53 HD2 TYR 53 -9.311 5.335 9.432 373 HE1 TYR 53 HE1 TYR 53 -6.823 3.704 13.417 374 HE2 TYR 53 HE2 TYR 53 -7.357 3.824 9.152 375 HH TYR 53 HH TYR 53 -5.662 2.731 10.176 376 H GLN 54 H GLN 54 -11.027 9.808 12.318 377 HA GLN 54 HA GLN 54 -13.654 9.846 10.920 378 1HB GLN 54 1HB GLN 54 -12.596 11.430 13.286 379 2HB GLN 54 2HB GLN 54 -14.211 11.602 12.593 380 1HG GLN 54 1HG GLN 54 -14.731 9.243 13.096 381 2HG GLN 54 2HG GLN 54 -13.128 9.013 13.782 382 1HE2 GLN 54 1HE2 GLN 54 -12.561 10.489 15.641 383 2HE2 GLN 54 2HE2 GLN 54 -13.864 10.890 16.776 384 H SER 55 H SER 55 -10.589 11.368 10.514 385 HA SER 55 HA SER 55 -11.556 13.913 9.454 386 1HB SER 55 1HB SER 55 -9.331 13.738 10.446 387 2HB SER 55 2HB SER 55 -8.856 12.523 9.238 388 HG SER 55 HG SER 55 -8.225 14.750 8.757 389 H ARG 56 H ARG 56 -12.186 14.365 7.409 390 HA ARG 56 HA ARG 56 -12.742 12.400 5.461 391 1HB ARG 56 1HB ARG 56 -13.836 14.595 5.687 392 2HB ARG 56 2HB ARG 56 -12.437 15.363 4.916 393 1HG ARG 56 1HG ARG 56 -12.917 14.405 2.819 394 2HG ARG 56 2HG ARG 56 -13.671 12.976 3.528 395 1HD ARG 56 1HD ARG 56 -15.390 14.183 2.479 396 2HD ARG 56 2HD ARG 56 -15.610 14.304 4.232 397 HE ARG 56 HE ARG 56 -14.100 16.569 3.329 398 1HH1 ARG 56 1HH1 ARG 56 -17.480 15.438 3.099 399 2HH1 ARG 56 2HH1 ARG 56 -17.985 17.095 2.774 400 1HH2 ARG 56 1HH2 ARG 56 -15.046 18.612 2.920 401 2HH2 ARG 56 2HH2 ARG 56 -16.791 18.661 2.677 402 H LYS 57 H LYS 57 -9.719 14.067 5.967 403 HA LYS 57 HA LYS 57 -8.502 13.674 3.407 404 1HB LYS 57 1HB LYS 57 -7.647 15.120 5.292 405 2HB LYS 57 2HB LYS 57 -7.216 13.663 6.178 406 1HG LYS 57 1HG LYS 57 -5.243 14.574 5.176 407 2HG LYS 57 2HG LYS 57 -5.603 13.055 4.357 408 1HD LYS 57 1HD LYS 57 -6.537 14.287 2.428 409 2HD LYS 57 2HD LYS 57 -6.335 15.827 3.297 410 1HE LYS 57 1HE LYS 57 -3.868 15.394 3.407 411 2HE LYS 57 2HE LYS 57 -4.101 13.923 2.455 412 1HZ LYS 57 1HZ LYS 57 -4.744 16.680 1.539 413 2HZ LYS 57 2HZ LYS 57 -3.461 15.802 1.052 414 3HZ LYS 57 3HZ LYS 57 -4.968 15.330 0.645 415 H HIS 58 H HIS 58 -8.893 11.449 6.165 416 HA HIS 58 HA HIS 58 -7.224 9.312 5.143 417 1HB HIS 58 1HB HIS 58 -7.867 9.390 7.480 418 2HB HIS 58 2HB HIS 58 -9.584 9.329 7.069 419 HD2 HIS 58 HD2 HIS 58 -10.673 6.988 6.544 420 HE1 HIS 58 HE1 HIS 58 -7.184 4.579 6.947 421 HE2 HIS 58 HE2 HIS 58 -9.708 4.531 6.681 422 H ALA 59 H ALA 59 -10.780 9.933 4.903 423 HA ALA 59 HA ALA 59 -11.386 7.662 3.305 424 1HB ALA 59 1HB ALA 59 -13.114 8.947 4.421 425 2HB ALA 59 2HB ALA 59 -12.761 10.388 3.428 426 3HB ALA 59 3HB ALA 59 -13.426 8.919 2.685 427 H ASN 60 H ASN 60 -10.372 10.966 2.294 428 HA ASN 60 HA ASN 60 -10.581 10.560 -0.518 429 1HB ASN 60 1HB ASN 60 -10.260 12.757 0.565 430 2HB ASN 60 2HB ASN 60 -8.638 12.296 1.078 431 1HD2 ASN 60 1HD2 ASN 60 -6.935 12.602 -0.391 432 2HD2 ASN 60 2HD2 ASN 60 -7.204 13.121 -2.047 433 H LYS 61 H LYS 61 -7.780 9.920 1.677 434 HA LYS 61 HA LYS 61 -6.112 8.847 -0.439 435 1HB LYS 61 1HB LYS 61 -5.922 8.589 2.589 436 2HB LYS 61 2HB LYS 61 -4.738 7.930 1.449 437 1HG LYS 61 1HG LYS 61 -4.463 10.263 0.481 438 2HG LYS 61 2HG LYS 61 -5.490 10.860 1.781 439 1HD LYS 61 1HD LYS 61 -3.273 11.254 2.506 440 2HD LYS 61 2HD LYS 61 -3.859 9.882 3.434 441 1HE LYS 61 1HE LYS 61 -1.610 9.398 2.815 442 2HE LYS 61 2HE LYS 61 -2.637 8.337 1.849 443 1HZ LYS 61 1HZ LYS 61 -2.320 9.909 -0.024 444 2HZ LYS 61 2HZ LYS 61 -1.380 10.870 0.904 445 3HZ LYS 61 3HZ LYS 61 -0.878 9.371 0.516 446 H VAL 62 H VAL 62 -8.488 7.290 1.720 447 HA VAL 62 HA VAL 62 -7.808 4.572 0.961 448 HB VAL 62 HB VAL 62 -10.350 5.791 2.094 449 1HG1 VAL 62 1HG1 VAL 62 -9.711 2.844 1.617 450 2HG1 VAL 62 2HG1 VAL 62 -11.031 3.448 2.643 451 3HG1 VAL 62 3HG1 VAL 62 -11.060 3.765 0.912 452 1HG2 VAL 62 1HG2 VAL 62 -8.300 5.684 3.580 453 2HG2 VAL 62 2HG2 VAL 62 -9.661 4.715 4.146 454 3HG2 VAL 62 3HG2 VAL 62 -8.280 3.932 3.343 455 H ARG 63 H ARG 63 -10.248 6.883 -0.381 456 HA ARG 63 HA ARG 63 -11.246 5.064 -2.399 457 1HB ARG 63 1HB ARG 63 -11.166 8.101 -2.318 458 2HB ARG 63 2HB ARG 63 -12.033 7.144 -3.535 459 1HG ARG 63 1HG ARG 63 -13.381 6.056 -1.743 460 2HG ARG 63 2HG ARG 63 -12.533 7.008 -0.525 461 1HD ARG 63 1HD ARG 63 -13.328 9.012 -2.164 462 2HD ARG 63 2HD ARG 63 -14.603 7.850 -2.507 463 HE ARG 63 HE ARG 63 -14.185 9.428 -0.099 464 1HH1 ARG 63 1HH1 ARG 63 -15.761 6.388 -1.054 465 2HH1 ARG 63 2HH1 ARG 63 -16.797 6.488 0.374 466 1HH2 ARG 63 1HH2 ARG 63 -15.566 9.299 1.665 467 2HH2 ARG 63 2HH2 ARG 63 -16.646 7.909 1.758 468 H ARG 64 H ARG 64 -8.566 7.366 -2.443 469 HA ARG 64 HA ARG 64 -7.660 6.900 -5.154 470 1HB ARG 64 1HB ARG 64 -7.072 8.839 -3.777 471 2HB ARG 64 2HB ARG 64 -6.217 7.836 -2.633 472 1HG ARG 64 1HG ARG 64 -5.440 8.259 -5.552 473 2HG ARG 64 2HG ARG 64 -4.774 9.133 -4.180 474 1HD ARG 64 1HD ARG 64 -4.357 6.220 -4.882 475 2HD ARG 64 2HD ARG 64 -3.173 7.522 -4.827 476 HE ARG 64 HE ARG 64 -4.435 7.115 -2.240 477 1HH1 ARG 64 1HH1 ARG 64 -1.857 5.849 -4.240 478 2HH1 ARG 64 2HH1 ARG 64 -1.010 5.174 -2.878 479 1HH2 ARG 64 1HH2 ARG 64 -3.322 6.213 -0.549 480 2HH2 ARG 64 2HH2 ARG 64 -1.803 5.425 -0.835 481 H TYR 65 H TYR 65 -6.642 5.402 -2.039 482 HA TYR 65 HA TYR 65 -4.783 3.571 -3.159 483 1HB TYR 65 1HB TYR 65 -4.868 4.155 -0.786 484 2HB TYR 65 2HB TYR 65 -6.448 3.405 -0.617 485 HD1 TYR 65 HD1 TYR 65 -6.702 1.000 -0.428 486 HD2 TYR 65 HD2 TYR 65 -2.831 2.758 -1.165 487 HE1 TYR 65 HE1 TYR 65 -5.614 -1.189 0.054 488 HE2 TYR 65 HE2 TYR 65 -1.745 0.574 -0.669 489 HH TYR 65 HH TYR 65 -2.055 -1.609 -0.067 490 H MET 66 H MET 66 -8.313 3.149 -2.595 491 HA MET 66 HA MET 66 -8.472 0.393 -3.246 492 1HB MET 66 1HB MET 66 -10.448 2.680 -3.465 493 2HB MET 66 2HB MET 66 -10.882 1.035 -3.952 494 1HG MET 66 1HG MET 66 -9.771 1.740 -1.217 495 2HG MET 66 2HG MET 66 -11.492 1.644 -1.578 496 1HE MET 66 1HE MET 66 -9.695 -1.521 0.528 497 2HE MET 66 2HE MET 66 -8.760 -0.076 0.083 498 3HE MET 66 3HE MET 66 -10.376 0.098 0.810 499 H ALA 67 H ALA 67 -8.218 3.207 -5.426 500 HA ALA 67 HA ALA 67 -8.771 1.704 -7.846 501 1HB ALA 67 1HB ALA 67 -7.991 3.704 -8.988 502 2HB ALA 67 2HB ALA 67 -9.039 4.171 -7.635 503 3HB ALA 67 3HB ALA 67 -7.272 4.333 -7.495 504 H ILE 68 H ILE 68 -5.970 1.885 -5.803 505 HA ILE 68 HA ILE 68 -4.083 0.908 -7.885 506 HB ILE 68 HB ILE 68 -3.494 1.333 -4.937 507 1HG1 ILE 68 1HG1 ILE 68 -4.320 3.476 -5.571 508 2HG1 ILE 68 2HG1 ILE 68 -2.584 3.552 -5.418 509 1HG2 ILE 68 1HG2 ILE 68 -1.808 0.067 -6.149 510 2HG2 ILE 68 2HG2 ILE 68 -1.726 1.305 -7.418 511 3HG2 ILE 68 3HG2 ILE 68 -1.175 1.669 -5.768 512 1HD1 ILE 68 1HD1 ILE 68 -2.346 3.539 -7.891 513 2HD1 ILE 68 2HD1 ILE 68 -4.117 3.436 -8.055 514 3HD1 ILE 68 3HD1 ILE 68 -3.375 4.868 -7.323 515 H ASN 69 H ASN 69 -5.664 -0.096 -4.865 516 HA ASN 69 HA ASN 69 -5.232 -2.972 -5.479 517 1HB ASN 69 1HB ASN 69 -3.408 -2.293 -3.951 518 2HB ASN 69 2HB ASN 69 -4.588 -1.602 -2.837 519 1HD2 ASN 69 1HD2 ASN 69 -3.926 -3.029 -1.115 520 2HD2 ASN 69 2HD2 ASN 69 -4.341 -4.739 -1.181 521 H GLN 70 H GLN 70 -7.354 -3.207 -6.039 522 HA GLN 70 HA GLN 70 -9.605 -2.101 -4.801 523 1HB GLN 70 1HB GLN 70 -10.902 -3.660 -6.091 524 2HB GLN 70 2HB GLN 70 -9.564 -3.044 -7.058 525 1HG GLN 70 1HG GLN 70 -8.292 -5.157 -6.592 526 2HG GLN 70 2HG GLN 70 -9.682 -5.785 -5.706 527 1HE2 GLN 70 1HE2 GLN 70 -8.299 -6.695 -8.299 528 2HE2 GLN 70 2HE2 GLN 70 -9.638 -6.808 -9.432 529 H GLY 71 H GLY 71 -11.381 -3.050 -3.700 530 1HA GLY 71 1HA GLY 71 -11.295 -5.462 -2.169 531 2HA GLY 71 2HA GLY 71 -10.845 -4.085 -1.152 532 H GLU 72 H GLU 72 -12.973 -5.173 -0.218 533 HA GLU 72 HA GLU 72 -15.266 -3.428 -0.980 534 1HB GLU 72 1HB GLU 72 -15.414 -6.449 -0.606 535 2HB GLU 72 2HB GLU 72 -16.803 -5.359 -0.665 536 1HG GLU 72 1HG GLU 72 -16.145 -4.660 -2.968 537 2HG GLU 72 2HG GLU 72 -14.827 -5.837 -2.934 538 H ASP 73 H ASP 73 -16.617 -2.872 0.681 539 HA ASP 73 HA ASP 73 -16.423 -3.967 3.371 540 1HB ASP 73 1HB ASP 73 -14.459 -2.329 3.111 541 2HB ASP 73 2HB ASP 73 -15.657 -1.053 2.902 542 H SER 74 H SER 74 -17.941 -2.518 4.854 543 HA SER 74 HA SER 74 -20.171 -1.258 3.345 544 1HB SER 74 1HB SER 74 -21.862 -2.645 4.413 545 2HB SER 74 2HB SER 74 -20.759 -3.631 3.447 546 HG SER 74 HG SER 74 -21.163 -4.575 5.492 547 H VAL 75 H VAL 75 -21.822 -0.315 4.722 548 HA VAL 75 HA VAL 75 -21.017 0.604 7.420 549 HB VAL 75 HB VAL 75 -21.538 2.955 6.807 550 1HG1 VAL 75 1HG1 VAL 75 -19.273 1.880 5.102 551 2HG1 VAL 75 2HG1 VAL 75 -19.468 3.525 5.732 552 3HG1 VAL 75 3HG1 VAL 75 -19.187 2.181 6.852 553 1HG2 VAL 75 1HG2 VAL 75 -21.598 3.705 4.490 554 2HG2 VAL 75 2HG2 VAL 75 -21.508 2.034 3.906 555 3HG2 VAL 75 3HG2 VAL 75 -22.938 2.596 4.802 556 HA PRO 76 HA PRO 76 -25.315 0.204 8.408 557 1HB PRO 76 1HB PRO 76 -25.325 3.063 9.385 558 2HB PRO 76 2HB PRO 76 -25.942 1.586 10.185 559 1HG PRO 76 1HG PRO 76 -23.557 2.634 10.912 560 2HG PRO 76 2HG PRO 76 -23.720 0.859 10.699 561 1HD PRO 76 1HD PRO 76 -22.603 2.891 8.755 562 2HD PRO 76 2HD PRO 76 -21.925 1.307 9.242 563 H ALA 77 H ALA 77 -26.492 -0.013 6.610 564 HA ALA 77 HA ALA 77 -27.803 2.336 5.350 565 1HB ALA 77 1HB ALA 77 -26.252 0.187 3.830 566 2HB ALA 77 2HB ALA 77 -27.163 1.533 3.107 567 3HB ALA 77 3HB ALA 77 -25.719 1.864 4.079 568 H LYS 78 H LYS 78 -28.791 0.286 7.169 569 HA LYS 78 HA LYS 78 -30.958 -0.956 5.510 570 1HB LYS 78 1HB LYS 78 -29.446 -2.230 7.831 571 2HB LYS 78 2HB LYS 78 -30.892 -2.905 7.070 572 1HG LYS 78 1HG LYS 78 -29.682 -2.971 4.877 573 2HG LYS 78 2HG LYS 78 -28.203 -2.463 5.701 574 1HD LYS 78 1HD LYS 78 -29.779 -5.004 6.304 575 2HD LYS 78 2HD LYS 78 -28.314 -4.907 5.315 576 1HE LYS 78 1HE LYS 78 -27.050 -4.029 7.277 577 2HE LYS 78 2HE LYS 78 -28.503 -4.183 8.274 578 1HZ LYS 78 1HZ LYS 78 -27.056 -6.115 8.519 579 2HZ LYS 78 2HZ LYS 78 -28.463 -6.584 7.841 580 3HZ LYS 78 3HZ LYS 78 -27.119 -6.440 6.922 581 H LYS 79 H LYS 79 -32.841 -1.584 6.799 582 HA LYS 79 HA LYS 79 -33.457 0.021 9.216 583 1HB LYS 79 1HB LYS 79 -35.369 1.111 8.206 584 2HB LYS 79 2HB LYS 79 -33.944 1.512 7.259 585 1HG LYS 79 1HG LYS 79 -34.570 -0.029 5.496 586 2HG LYS 79 2HG LYS 79 -35.845 -0.734 6.487 587 1HD LYS 79 1HD LYS 79 -36.927 1.622 6.530 588 2HD LYS 79 2HD LYS 79 -35.768 2.033 5.256 589 1HE LYS 79 1HE LYS 79 -37.724 1.351 4.108 590 2HE LYS 79 2HE LYS 79 -36.605 -0.014 3.991 591 1HZ LYS 79 1HZ LYS 79 -38.900 0.218 5.870 592 2HZ LYS 79 2HZ LYS 79 -38.799 -0.802 4.602 593 3HZ LYS 79 3HZ LYS 79 -37.842 -1.023 5.913 594 H PHE 80 H PHE 80 -35.928 -0.333 9.703 595 HA PHE 80 HA PHE 80 -36.340 -3.118 10.293 596 1HB PHE 80 1HB PHE 80 -38.291 -0.781 10.412 597 2HB PHE 80 2HB PHE 80 -38.483 -2.329 11.220 598 HD1 PHE 80 HD1 PHE 80 -36.573 -3.040 12.896 599 HD2 PHE 80 HD2 PHE 80 -37.300 1.014 11.606 600 HE1 PHE 80 HE1 PHE 80 -35.370 -2.185 14.895 601 HE2 PHE 80 HE2 PHE 80 -36.098 1.863 13.605 602 HZ PHE 80 HZ PHE 80 -35.131 0.267 15.252 603 H LYS 81 H LYS 81 -38.307 -4.322 9.777 604 HA LYS 81 HA LYS 81 -39.294 -3.977 6.965 605 1HB LYS 81 1HB LYS 81 -37.613 -5.780 7.190 606 2HB LYS 81 2HB LYS 81 -38.635 -6.577 8.394 607 1HG LYS 81 1HG LYS 81 -40.434 -6.841 6.685 608 2HG LYS 81 2HG LYS 81 -39.453 -5.948 5.517 609 1HD LYS 81 1HD LYS 81 -39.291 -8.303 5.036 610 2HD LYS 81 2HD LYS 81 -37.719 -7.731 5.613 611 1HE LYS 81 1HE LYS 81 -38.219 -8.651 7.873 612 2HE LYS 81 2HE LYS 81 -39.808 -9.183 7.309 613 1HZ LYS 81 1HZ LYS 81 -38.676 -10.655 5.728 614 2HZ LYS 81 2HZ LYS 81 -37.208 -10.162 6.249 615 3HZ LYS 81 3HZ LYS 81 -38.192 -10.994 7.248 616 H ALA 82 H ALA 82 -41.158 -3.000 7.399 617 HA ALA 82 HA ALA 82 -42.978 -3.604 9.518 618 1HB ALA 82 1HB ALA 82 -44.442 -2.028 8.313 619 2HB ALA 82 2HB ALA 82 -42.782 -1.417 8.372 620 3HB ALA 82 3HB ALA 82 -43.409 -2.142 6.873 621 H ALA 83 H ALA 83 -45.341 -4.047 9.050 622 HA ALA 83 HA ALA 83 -45.894 -6.128 7.020 623 1HB ALA 83 1HB ALA 83 -46.863 -7.595 8.795 624 2HB ALA 83 2HB ALA 83 -45.126 -7.338 9.035 625 3HB ALA 83 3HB ALA 83 -46.304 -6.455 10.033 626 HA PRO 84 HA PRO 84 -49.684 -3.870 6.736 627 1HB PRO 84 1HB PRO 84 -51.532 -5.741 5.931 628 2HB PRO 84 2HB PRO 84 -50.215 -5.123 4.890 629 1HG PRO 84 1HG PRO 84 -50.252 -7.678 6.524 630 2HG PRO 84 2HG PRO 84 -49.773 -7.465 4.809 631 1HD PRO 84 1HD PRO 84 -47.935 -7.557 6.804 632 2HD PRO 84 2HD PRO 84 -47.725 -6.455 5.412 633 H ALA 85 H ALA 85 -51.406 -3.205 7.903 634 HA ALA 85 HA ALA 85 -52.795 -4.816 9.903 635 1HB ALA 85 1HB ALA 85 -52.161 -3.331 11.792 636 2HB ALA 85 2HB ALA 85 -50.737 -4.153 11.136 637 3HB ALA 85 3HB ALA 85 -51.040 -2.448 10.732 638 H GLU 86 H GLU 86 -54.512 -3.444 11.004 639 HA GLU 86 HA GLU 86 -55.273 -0.939 9.675 640 1HB GLU 86 1HB GLU 86 -56.178 -2.729 8.190 641 2HB GLU 86 2HB GLU 86 -57.043 -3.423 9.559 642 1HG GLU 86 1HG GLU 86 -58.535 -2.135 8.124 643 2HG GLU 86 2HG GLU 86 -58.457 -1.427 9.725 644 H ILE 87 H ILE 87 -56.719 0.286 10.813 645 HA ILE 87 HA ILE 87 -57.832 -0.626 13.389 646 HB ILE 87 HB ILE 87 -56.267 1.978 13.359 647 1HG1 ILE 87 1HG1 ILE 87 -54.693 0.657 14.987 648 2HG1 ILE 87 2HG1 ILE 87 -55.208 -0.768 14.109 649 1HG2 ILE 87 1HG2 ILE 87 -57.270 0.162 15.604 650 2HG2 ILE 87 2HG2 ILE 87 -56.506 1.754 15.798 651 3HG2 ILE 87 3HG2 ILE 87 -58.095 1.632 15.053 652 1HD1 ILE 87 1HD1 ILE 87 -53.064 0.161 13.284 653 2HD1 ILE 87 2HD1 ILE 87 -54.270 0.285 11.999 654 3HD1 ILE 87 3HD1 ILE 87 -53.841 1.718 12.951 655 H SER 88 H SER 88 -59.341 -0.495 11.321 656 HA SER 88 HA SER 88 -60.376 2.042 10.490 657 1HB SER 88 1HB SER 88 -60.544 -0.163 9.267 658 2HB SER 88 2HB SER 88 -61.837 -0.617 10.396 659 HG SER 88 HG SER 88 -62.584 0.365 8.415 660 H ASP 89 H ASP 89 -62.683 2.675 10.707 661 HA ASP 89 HA ASP 89 -63.379 3.456 13.323 662 1HB ASP 89 1HB ASP 89 -63.993 4.553 11.167 663 2HB ASP 89 2HB ASP 89 -65.141 3.253 10.852 664 H GLY 90 H GLY 90 -64.011 0.426 11.849 665 1HA GLY 90 1HA GLY 90 -65.706 -0.467 14.140 666 2HA GLY 90 2HA GLY 90 -66.160 -0.874 12.477 667 H GLU 91 H GLU 91 -62.775 -0.711 13.426 668 HA GLU 91 HA GLU 91 -62.480 -3.626 13.824 669 1HB GLU 91 1HB GLU 91 -62.441 -3.038 11.284 670 2HB GLU 91 2HB GLU 91 -60.878 -2.306 11.626 671 1HG GLU 91 1HG GLU 91 -60.324 -4.494 10.996 672 2HG GLU 91 2HG GLU 91 -60.290 -4.574 12.760 673 H ASP 92 H ASP 92 -62.201 -2.066 15.862 674 HA ASP 92 HA ASP 92 -59.283 -1.898 16.372 675 1HB ASP 92 1HB ASP 92 -59.328 0.311 17.139 676 2HB ASP 92 2HB ASP 92 -60.219 0.377 15.629 677 H ARG 93 H ARG 93 -58.865 -1.359 18.719 678 HA ARG 93 HA ARG 93 -60.878 -2.415 20.626 679 1HB ARG 93 1HB ARG 93 -58.033 -3.475 20.390 680 2HB ARG 93 2HB ARG 93 -59.089 -3.739 21.783 681 1HG ARG 93 1HG ARG 93 -60.820 -4.702 20.161 682 2HG ARG 93 2HG ARG 93 -59.528 -4.726 18.946 683 1HD ARG 93 1HD ARG 93 -58.168 -6.169 20.429 684 2HD ARG 93 2HD ARG 93 -59.434 -6.078 21.673 685 HE ARG 93 HE ARG 93 -60.394 -7.063 19.094 686 1HH1 ARG 93 1HH1 ARG 93 -58.915 -8.131 22.082 687 2HH1 ARG 93 2HH1 ARG 93 -59.518 -9.757 21.909 688 1HH2 ARG 93 1HH2 ARG 93 -61.124 -9.156 18.927 689 2HH2 ARG 93 2HH2 ARG 93 -60.740 -10.311 20.167 690 H SER 94 H SER 94 -60.330 0.223 20.124 691 HA SER 94 HA SER 94 -59.335 1.106 22.809 692 1HB SER 94 1HB SER 94 -58.328 3.110 21.788 693 2HB SER 94 2HB SER 94 -57.519 1.607 21.323 694 HG SER 94 HG SER 94 -58.524 1.678 19.337 695 H LYS 95 H LYS 95 -61.660 1.443 20.255 696 HA LYS 95 HA LYS 95 -63.287 3.353 21.922 697 1HB LYS 95 1HB LYS 95 -63.009 3.114 18.893 698 2HB LYS 95 2HB LYS 95 -64.399 3.818 19.665 699 1HG LYS 95 1HG LYS 95 -63.188 5.664 19.104 700 2HG LYS 95 2HG LYS 95 -62.974 5.475 20.841 701 1HD LYS 95 1HD LYS 95 -60.891 6.109 19.843 702 2HD LYS 95 2HD LYS 95 -60.765 4.445 20.424 703 1HE LYS 95 1HE LYS 95 -61.146 3.613 18.103 704 2HE LYS 95 2HE LYS 95 -61.264 5.286 17.532 705 1HZ LYS 95 1HZ LYS 95 -59.035 4.401 17.187 706 2HZ LYS 95 2HZ LYS 95 -58.947 5.599 18.297 707 3HZ LYS 95 3HZ LYS 95 -58.879 4.025 18.772 708 H CYS 96 H CYS 96 -63.048 0.188 20.724 709 HA CYS 96 HA CYS 96 -65.816 -0.428 21.550 710 1HB CYS 96 1HB CYS 96 -65.828 0.096 19.118 711 2HB CYS 96 2HB CYS 96 -64.642 -1.188 18.842 712 HG CYS 96 HG CYS 96 -67.635 -1.529 20.278 713 H CYS 97 H CYS 97 -66.234 -2.679 21.803 714 HA CYS 97 HA CYS 97 -63.971 -4.558 22.110 715 1HB CYS 97 1HB CYS 97 -64.106 -3.608 24.307 716 2HB CYS 97 2HB CYS 97 -65.870 -3.749 24.324 717 HA PRO 98 HA PRO 98 -67.644 -6.457 20.115 718 1HB PRO 98 1HB PRO 98 -66.357 -8.318 18.559 719 2HB PRO 98 2HB PRO 98 -66.460 -6.583 18.131 720 1HG PRO 98 1HG PRO 98 -64.173 -8.026 19.505 721 2HG PRO 98 2HG PRO 98 -64.095 -6.907 18.107 722 1HD PRO 98 1HD PRO 98 -63.607 -6.082 20.656 723 2HD PRO 98 2HD PRO 98 -64.439 -5.019 19.482 724 H VAL 99 H VAL 99 -65.122 -7.969 22.054 725 HA VAL 99 HA VAL 99 -66.296 -10.568 22.381 726 HB VAL 99 HB VAL 99 -64.710 -9.229 24.578 727 1HG1 VAL 99 1HG1 VAL 99 -65.524 -11.568 24.920 728 2HG1 VAL 99 2HG1 VAL 99 -64.681 -12.064 23.442 729 3HG1 VAL 99 3HG1 VAL 99 -63.766 -11.486 24.853 730 1HG2 VAL 99 1HG2 VAL 99 -63.381 -8.653 22.618 731 2HG2 VAL 99 2HG2 VAL 99 -62.607 -9.999 23.449 732 3HG2 VAL 99 3HG2 VAL 99 -63.548 -10.306 21.974 733 H CYS 100 H CYS 100 -67.101 -7.480 23.708 734 HA CYS 100 HA CYS 100 -69.189 -8.640 25.518 735 1HB CYS 100 1HB CYS 100 -67.567 -6.081 25.765 736 2HB CYS 100 2HB CYS 100 -68.870 -6.583 26.821 737 H ASN 101 H ASN 101 -68.648 -6.859 22.768 738 HA ASN 101 HA ASN 101 -69.731 -5.537 21.362 739 1HB ASN 101 1HB ASN 101 -71.225 -7.531 21.318 740 2HB ASN 101 2HB ASN 101 -72.250 -6.771 22.539 741 1HD2 ASN 101 1HD2 ASN 101 -74.073 -6.780 21.093 742 2HD2 ASN 101 2HD2 ASN 101 -74.134 -5.665 19.734 743 H MET 102 H MET 102 -68.738 -4.009 22.983 744 HA MET 102 HA MET 102 -70.731 -1.878 23.651 745 1HB MET 102 1HB MET 102 -68.466 -2.803 25.470 746 2HB MET 102 2HB MET 102 -69.474 -1.375 25.729 747 1HG MET 102 1HG MET 102 -71.490 -2.946 25.685 748 2HG MET 102 2HG MET 102 -70.334 -4.269 25.828 749 1HE MET 102 1HE MET 102 -68.666 -4.550 27.923 750 2HE MET 102 2HE MET 102 -68.100 -2.865 27.838 751 3HE MET 102 3HE MET 102 -68.715 -3.520 29.369 752 H THR 103 H THR 103 -69.637 0.233 24.125 753 HA THR 103 HA THR 103 -67.190 0.727 22.504 754 HB THR 103 HB THR 103 -68.254 2.868 21.730 755 HG1 THR 103 HG1 THR 103 -70.016 3.005 23.103 756 1HG2 THR 103 1HG2 THR 103 -69.623 0.313 20.790 757 2HG2 THR 103 2HG2 THR 103 -69.511 1.849 19.905 758 3HG2 THR 103 3HG2 THR 103 -68.044 0.914 20.237 759 H PHE 104 H PHE 104 -66.086 2.703 22.969 760 HA PHE 104 HA PHE 104 -66.469 3.744 25.748 761 1HB PHE 104 1HB PHE 104 -63.762 3.144 24.536 762 2HB PHE 104 2HB PHE 104 -64.158 3.497 26.207 763 HD1 PHE 104 HD1 PHE 104 -63.534 0.922 23.817 764 HD2 PHE 104 HD2 PHE 104 -65.704 1.739 27.452 765 HE1 PHE 104 HE1 PHE 104 -63.660 -1.499 24.281 766 HE2 PHE 104 HE2 PHE 104 -65.871 -0.701 27.894 767 HZ PHE 104 HZ PHE 104 -64.863 -2.324 26.306 768 H SER 105 H SER 105 -65.825 5.872 26.138 769 HA SER 105 HA SER 105 -65.955 7.701 23.911 770 1HB SER 105 1HB SER 105 -65.603 9.412 25.719 771 2HB SER 105 2HB SER 105 -66.969 8.314 25.977 772 HG SER 105 HG SER 105 -65.684 8.584 27.872 773 H SER 106 H SER 106 -63.245 6.400 25.788 774 HA SER 106 HA SER 106 -61.315 7.670 23.944 775 1HB SER 106 1HB SER 106 -61.160 7.985 26.977 776 2HB SER 106 2HB SER 106 -59.908 8.481 25.833 777 HG SER 106 HG SER 106 -61.498 9.922 24.900 778 HA PRO 107 HA PRO 107 -59.102 3.839 24.209 779 1HB PRO 107 1HB PRO 107 -56.635 5.495 24.737 780 2HB PRO 107 2HB PRO 107 -56.856 4.128 23.601 781 1HG PRO 107 1HG PRO 107 -56.918 6.670 22.682 782 2HG PRO 107 2HG PRO 107 -58.139 5.490 22.103 783 1HD PRO 107 1HD PRO 107 -58.444 7.627 24.217 784 2HD PRO 107 2HD PRO 107 -59.562 7.155 22.901 785 H VAL 108 H VAL 108 -58.194 6.128 26.841 786 HA VAL 108 HA VAL 108 -57.106 4.147 28.590 787 HB VAL 108 HB VAL 108 -58.452 6.741 29.431 788 1HG1 VAL 108 1HG1 VAL 108 -56.829 6.591 31.331 789 2HG1 VAL 108 2HG1 VAL 108 -57.969 5.244 31.329 790 3HG1 VAL 108 3HG1 VAL 108 -56.313 4.995 30.737 791 1HG2 VAL 108 1HG2 VAL 108 -56.724 7.266 27.756 792 2HG2 VAL 108 2HG2 VAL 108 -56.153 7.708 29.363 793 3HG2 VAL 108 3HG2 VAL 108 -55.562 6.216 28.599 794 H VAL 109 H VAL 109 -60.468 5.234 28.130 795 HA VAL 109 HA VAL 109 -61.602 3.793 30.365 796 HB VAL 109 HB VAL 109 -62.938 4.640 27.762 797 1HG1 VAL 109 1HG1 VAL 109 -64.291 2.993 29.008 798 2HG1 VAL 109 2HG1 VAL 109 -64.127 3.965 30.485 799 3HG1 VAL 109 3HG1 VAL 109 -65.022 4.597 29.086 800 1HG2 VAL 109 1HG2 VAL 109 -61.977 6.604 28.895 801 2HG2 VAL 109 2HG2 VAL 109 -63.732 6.600 29.065 802 3HG2 VAL 109 3HG2 VAL 109 -62.712 6.097 30.431 803 H ALA 110 H ALA 110 -60.954 2.948 26.949 804 HA ALA 110 HA ALA 110 -62.143 0.334 27.027 805 1HB ALA 110 1HB ALA 110 -60.950 -0.042 24.966 806 2HB ALA 110 2HB ALA 110 -61.523 1.638 24.964 807 3HB ALA 110 3HB ALA 110 -59.819 1.280 25.291 808 H GLU 111 H GLU 111 -58.741 1.453 27.609 809 HA GLU 111 HA GLU 111 -57.633 -1.125 28.141 810 1HB GLU 111 1HB GLU 111 -56.846 1.620 29.208 811 2HB GLU 111 2HB GLU 111 -55.929 0.140 29.500 812 1HG GLU 111 1HG GLU 111 -55.687 -0.181 27.036 813 2HG GLU 111 2HG GLU 111 -56.485 1.368 26.775 814 H SER 112 H SER 112 -59.198 1.195 30.421 815 HA SER 112 HA SER 112 -58.836 -0.357 32.790 816 1HB SER 112 1HB SER 112 -61.007 1.630 32.023 817 2HB SER 112 2HB SER 112 -60.828 0.916 33.637 818 HG SER 112 HG SER 112 -59.757 2.949 33.451 819 H HIS 113 H HIS 113 -61.353 -0.559 30.245 820 HA HIS 113 HA HIS 113 -62.990 -2.489 31.676 821 1HB HIS 113 1HB HIS 113 -64.004 -1.153 29.947 822 2HB HIS 113 2HB HIS 113 -62.818 -1.668 28.751 823 HD1 HIS 113 HD1 HIS 113 -65.847 -3.110 30.659 824 HD2 HIS 113 HD2 HIS 113 -63.146 -4.032 27.564 825 HE1 HIS 113 HE1 HIS 113 -66.703 -5.255 29.562 826 H TYR 114 H TYR 114 -60.544 -2.824 29.027 827 HA TYR 114 HA TYR 114 -60.707 -5.618 28.749 828 1HB TYR 114 1HB TYR 114 -58.519 -3.612 28.170 829 2HB TYR 114 2HB TYR 114 -58.247 -5.328 27.928 830 HD1 TYR 114 HD1 TYR 114 -59.366 -2.410 26.263 831 HD2 TYR 114 HD2 TYR 114 -60.063 -6.643 26.576 832 HE1 TYR 114 HE1 TYR 114 -60.562 -2.368 24.088 833 HE2 TYR 114 HE2 TYR 114 -61.197 -6.615 24.348 834 HH TYR 114 HH TYR 114 -61.743 -3.590 22.534 835 H ILE 115 H ILE 115 -58.914 -3.854 31.256 836 HA ILE 115 HA ILE 115 -57.664 -6.380 32.187 837 HB ILE 115 HB ILE 115 -56.406 -5.059 33.752 838 1HG1 ILE 115 1HG1 ILE 115 -56.391 -2.508 33.460 839 2HG1 ILE 115 2HG1 ILE 115 -58.009 -2.662 32.792 840 1HG2 ILE 115 1HG2 ILE 115 -56.325 -3.806 30.983 841 2HG2 ILE 115 2HG2 ILE 115 -55.003 -3.912 32.158 842 3HG2 ILE 115 3HG2 ILE 115 -55.639 -5.387 31.418 843 1HD1 ILE 115 1HD1 ILE 115 -57.213 -3.618 35.571 844 2HD1 ILE 115 2HD1 ILE 115 -57.907 -2.025 35.209 845 3HD1 ILE 115 3HD1 ILE 115 -58.867 -3.474 34.920 846 H GLY 116 H GLY 116 -60.662 -5.011 32.676 847 1HA GLY 116 1HA GLY 116 -60.891 -5.586 35.557 848 2HA GLY 116 2HA GLY 116 -62.124 -4.911 34.504 849 H LYS 117 H LYS 117 -62.532 -6.914 36.450 850 HA LYS 117 HA LYS 117 -62.633 -9.583 35.483 851 1HB LYS 117 1HB LYS 117 -64.521 -8.219 37.455 852 2HB LYS 117 2HB LYS 117 -64.321 -9.956 37.260 853 1HG LYS 117 1HG LYS 117 -62.204 -8.016 38.284 854 2HG LYS 117 2HG LYS 117 -63.162 -9.144 39.241 855 1HD LYS 117 1HD LYS 117 -62.121 -11.055 37.989 856 2HD LYS 117 2HD LYS 117 -61.078 -9.887 37.142 857 1HE LYS 117 1HE LYS 117 -60.185 -9.103 39.319 858 2HE LYS 117 2HE LYS 117 -61.220 -10.258 40.166 859 1HZ LYS 117 1HZ LYS 117 -58.977 -11.134 39.884 860 2HZ LYS 117 2HZ LYS 117 -60.019 -12.059 39.038 861 3HZ LYS 117 3HZ LYS 117 -59.055 -10.988 38.262 862 H THR 118 H THR 118 -64.910 -6.951 34.897 863 HA THR 118 HA THR 118 -67.115 -8.398 33.881 864 HB THR 118 HB THR 118 -66.091 -5.734 32.823 865 HG1 THR 118 HG1 THR 118 -67.335 -4.847 34.491 866 1HG2 THR 118 1HG2 THR 118 -68.911 -6.883 33.076 867 2HG2 THR 118 2HG2 THR 118 -68.505 -5.242 32.522 868 3HG2 THR 118 3HG2 THR 118 -68.018 -6.641 31.558 869 H HIS 119 H HIS 119 -64.136 -7.301 32.175 870 HA HIS 119 HA HIS 119 -64.936 -8.408 29.606 871 1HB HIS 119 1HB HIS 119 -63.301 -6.554 29.891 872 2HB HIS 119 2HB HIS 119 -62.155 -7.688 30.617 873 HD2 HIS 119 HD2 HIS 119 -60.710 -9.123 28.938 874 HE1 HIS 119 HE1 HIS 119 -62.788 -8.224 25.325 875 HE2 HIS 119 HE2 HIS 119 -60.766 -9.412 26.316 876 H ILE 120 H ILE 120 -62.887 -9.569 32.305 877 HA ILE 120 HA ILE 120 -62.006 -11.970 31.056 878 HB ILE 120 HB ILE 120 -62.280 -11.296 33.993 879 1HG1 ILE 120 1HG1 ILE 120 -59.940 -11.232 32.012 880 2HG1 ILE 120 2HG1 ILE 120 -60.784 -9.828 32.647 881 1HG2 ILE 120 1HG2 ILE 120 -62.216 -13.756 33.723 882 2HG2 ILE 120 2HG2 ILE 120 -60.787 -13.615 32.673 883 3HG2 ILE 120 3HG2 ILE 120 -60.706 -13.176 34.394 884 1HD1 ILE 120 1HD1 ILE 120 -58.732 -9.996 33.829 885 2HD1 ILE 120 2HD1 ILE 120 -60.034 -10.419 34.959 886 3HD1 ILE 120 3HD1 ILE 120 -59.008 -11.693 34.246 887 H LYS 121 H LYS 121 -65.007 -11.345 32.884 888 HA LYS 121 HA LYS 121 -65.999 -14.028 32.956 889 1HB LYS 121 1HB LYS 121 -66.964 -12.057 34.152 890 2HB LYS 121 2HB LYS 121 -67.554 -11.422 32.609 891 1HG LYS 121 1HG LYS 121 -68.986 -13.423 32.320 892 2HG LYS 121 2HG LYS 121 -68.352 -14.100 33.837 893 1HD LYS 121 1HD LYS 121 -69.279 -12.179 35.078 894 2HD LYS 121 2HD LYS 121 -69.903 -11.497 33.554 895 1HE LYS 121 1HE LYS 121 -71.292 -13.530 33.221 896 2HE LYS 121 2HE LYS 121 -70.669 -14.209 34.730 897 1HZ LYS 121 1HZ LYS 121 -72.823 -13.139 35.066 898 2HZ LYS 121 2HZ LYS 121 -71.687 -12.336 35.916 899 3HZ LYS 121 3HZ LYS 121 -72.264 -11.707 34.521 900 H ASN 122 H ASN 122 -66.082 -11.599 30.356 901 HA ASN 122 HA ASN 122 -67.536 -13.337 28.518 902 1HB ASN 122 1HB ASN 122 -66.334 -10.573 28.345 903 2HB ASN 122 2HB ASN 122 -66.753 -11.456 26.881 904 1HD2 ASN 122 1HD2 ASN 122 -68.701 -10.833 26.118 905 2HD2 ASN 122 2HD2 ASN 122 -70.110 -10.532 27.141 906 H LEU 123 H LEU 123 -64.106 -12.974 29.311 907 HA LEU 123 HA LEU 123 -63.107 -14.211 26.866 908 1HB LEU 123 1HB LEU 123 -61.939 -14.348 29.685 909 2HB LEU 123 2HB LEU 123 -61.143 -14.856 28.216 910 HG LEU 123 HG LEU 123 -61.900 -11.985 28.876 911 1HD1 LEU 123 1HD1 LEU 123 -59.507 -11.667 29.218 912 2HD1 LEU 123 2HD1 LEU 123 -60.066 -12.975 30.274 913 3HD1 LEU 123 3HD1 LEU 123 -59.183 -13.362 28.788 914 1HD2 LEU 123 1HD2 LEU 123 -60.340 -13.164 26.548 915 2HD2 LEU 123 2HD2 LEU 123 -61.862 -12.235 26.471 916 3HD2 LEU 123 3HD2 LEU 123 -60.361 -11.447 26.995 917 H ARG 124 H ARG 124 -64.004 -15.491 30.105 918 HA ARG 124 HA ARG 124 -63.720 -18.275 29.473 919 1HB ARG 124 1HB ARG 124 -65.294 -16.780 31.598 920 2HB ARG 124 2HB ARG 124 -65.455 -18.521 31.398 921 1HG ARG 124 1HG ARG 124 -63.858 -18.182 33.102 922 2HG ARG 124 2HG ARG 124 -63.003 -18.811 31.695 923 1HD ARG 124 1HD ARG 124 -62.140 -16.540 31.193 924 2HD ARG 124 2HD ARG 124 -63.108 -15.883 32.515 925 HE ARG 124 HE ARG 124 -61.669 -16.811 34.108 926 1HH1 ARG 124 1HH1 ARG 124 -60.459 -17.709 30.888 927 2HH1 ARG 124 2HH1 ARG 124 -58.938 -18.212 31.561 928 1HH2 ARG 124 1HH2 ARG 124 -59.696 -17.479 34.822 929 2HH2 ARG 124 2HH2 ARG 124 -58.518 -18.085 33.698 930 H LEU 125 H LEU 125 -66.395 -16.087 28.838 931 HA LEU 125 HA LEU 125 -68.325 -18.073 28.074 932 1HB LEU 125 1HB LEU 125 -68.773 -15.701 28.754 933 2HB LEU 125 2HB LEU 125 -68.065 -15.161 27.234 934 HG LEU 125 HG LEU 125 -69.878 -16.207 25.959 935 1HD1 LEU 125 1HD1 LEU 125 -70.996 -16.991 28.689 936 2HD1 LEU 125 2HD1 LEU 125 -71.886 -17.073 27.152 937 3HD1 LEU 125 3HD1 LEU 125 -70.477 -18.105 27.402 938 1HD2 LEU 125 1HD2 LEU 125 -70.866 -14.474 28.256 939 2HD2 LEU 125 2HD2 LEU 125 -70.100 -13.892 26.761 940 3HD2 LEU 125 3HD2 LEU 125 -71.670 -14.705 26.688 941 H ARG 126 H ARG 126 -65.469 -17.023 26.453 942 HA ARG 126 HA ARG 126 -66.361 -18.183 23.818 943 1HB ARG 126 1HB ARG 126 -64.178 -16.142 24.391 944 2HB ARG 126 2HB ARG 126 -64.603 -16.773 22.807 945 1HG ARG 126 1HG ARG 126 -66.431 -15.045 24.542 946 2HG ARG 126 2HG ARG 126 -65.409 -14.478 23.233 947 1HD ARG 126 1HD ARG 126 -67.583 -14.610 22.348 948 2HD ARG 126 2HD ARG 126 -66.682 -15.966 21.646 949 HE ARG 126 HE ARG 126 -67.966 -16.912 23.989 950 1HH1 ARG 126 1HH1 ARG 126 -69.051 -15.792 20.850 951 2HH1 ARG 126 2HH1 ARG 126 -70.478 -16.792 20.910 952 1HH2 ARG 126 1HH2 ARG 126 -69.688 -18.135 24.003 953 2HH2 ARG 126 2HH2 ARG 126 -70.848 -18.104 22.689 954 H GLU 127 H GLU 127 -63.862 -18.302 26.310 955 HA GLU 127 HA GLU 127 -62.027 -20.037 24.933 956 1HB GLU 127 1HB GLU 127 -62.631 -19.558 27.875 957 2HB GLU 127 2HB GLU 127 -61.357 -20.648 27.330 958 1HG GLU 127 1HG GLU 127 -60.183 -18.861 26.191 959 2HG GLU 127 2HG GLU 127 -61.456 -17.705 26.555 960 H GLN 128 H GLN 128 -64.962 -20.740 26.826 961 HA GLN 128 HA GLN 128 -64.589 -23.604 26.991 962 1HB GLN 128 1HB GLN 128 -67.013 -21.788 27.296 963 2HB GLN 128 2HB GLN 128 -67.082 -23.542 27.519 964 1HG GLN 128 1HG GLN 128 -65.459 -23.455 29.337 965 2HG GLN 128 2HG GLN 128 -65.210 -21.724 29.099 966 1HE2 GLN 128 1HE2 GLN 128 -67.017 -20.261 29.559 967 2HE2 GLN 128 2HE2 GLN 128 -68.256 -20.764 30.722 Start of MODEL 14 1 1H ALA 2 1H ALA 2 -9.448 4.104 27.628 2 HA ALA 2 HA ALA 2 -10.702 1.467 27.045 3 1HB ALA 2 1HB ALA 2 -8.701 1.079 28.468 4 2HB ALA 2 2HB ALA 2 -9.351 2.206 29.680 5 3HB ALA 2 3HB ALA 2 -10.201 0.686 29.322 6 H ASP 3 H ASP 3 -11.562 4.450 27.185 7 HA ASP 3 HA ASP 3 -14.104 3.971 28.621 8 1HB ASP 3 1HB ASP 3 -13.976 5.978 29.917 9 2HB ASP 3 2HB ASP 3 -12.562 5.006 30.276 10 H GLU 4 H GLU 4 -15.622 5.858 28.316 11 HA GLU 4 HA GLU 4 -15.391 7.534 25.963 12 1HB GLU 4 1HB GLU 4 -17.302 6.584 24.759 13 2HB GLU 4 2HB GLU 4 -15.952 5.480 24.798 14 1HG GLU 4 1HG GLU 4 -18.361 5.277 26.662 15 2HG GLU 4 2HG GLU 4 -18.255 4.473 25.106 16 H PHE 5 H PHE 5 -17.676 8.611 25.581 17 HA PHE 5 HA PHE 5 -19.108 9.044 28.174 18 1HB PHE 5 1HB PHE 5 -17.327 10.722 27.999 19 2HB PHE 5 2HB PHE 5 -17.901 11.207 26.410 20 HD1 PHE 5 HD1 PHE 5 -19.707 12.787 26.175 21 HD2 PHE 5 HD2 PHE 5 -18.792 11.102 30.041 22 HE1 PHE 5 HE1 PHE 5 -21.225 14.433 27.253 23 HE2 PHE 5 HE2 PHE 5 -20.310 12.751 31.115 24 HZ PHE 5 HZ PHE 5 -21.529 14.417 29.723 25 H GLY 6 H GLY 6 -19.175 9.861 24.638 26 1HA GLY 6 1HA GLY 6 -21.692 8.807 24.094 27 2HA GLY 6 2HA GLY 6 -22.006 10.453 24.638 28 H ASN 7 H ASN 7 -22.851 9.889 22.246 29 HA ASN 7 HA ASN 7 -21.203 11.491 20.380 30 1HB ASN 7 1HB ASN 7 -22.307 8.702 19.768 31 2HB ASN 7 2HB ASN 7 -21.670 9.803 18.553 32 1HD2 ASN 7 1HD2 ASN 7 -19.365 10.188 18.445 33 2HD2 ASN 7 2HD2 ASN 7 -18.273 9.140 19.332 34 H GLY 8 H GLY 8 -22.596 11.967 18.346 35 1HA GLY 8 1HA GLY 8 -25.446 11.799 18.420 36 2HA GLY 8 2HA GLY 8 -24.960 13.343 19.125 37 H ASP 9 H ASP 9 -22.603 13.590 17.250 38 HA ASP 9 HA ASP 9 -23.902 14.977 15.097 39 1HB ASP 9 1HB ASP 9 -21.691 15.537 16.156 40 2HB ASP 9 2HB ASP 9 -20.996 14.115 15.376 41 H ALA 10 H ALA 10 -23.385 14.581 12.743 42 HA ALA 10 HA ALA 10 -23.165 11.713 11.974 43 1HB ALA 10 1HB ALA 10 -25.441 13.561 11.141 44 2HB ALA 10 2HB ALA 10 -25.161 11.910 10.545 45 3HB ALA 10 3HB ALA 10 -25.571 12.176 12.250 46 H LEU 11 H LEU 11 -22.383 11.306 9.943 47 HA LEU 11 HA LEU 11 -21.821 13.301 7.940 48 1HB LEU 11 1HB LEU 11 -20.020 13.660 9.679 49 2HB LEU 11 2HB LEU 11 -19.570 11.970 9.540 50 HG LEU 11 HG LEU 11 -18.747 12.352 7.239 51 1HD1 LEU 11 1HD1 LEU 11 -20.281 14.150 6.490 52 2HD1 LEU 11 2HD1 LEU 11 -19.574 15.254 7.687 53 3HD1 LEU 11 3HD1 LEU 11 -18.595 14.643 6.331 54 1HD2 LEU 11 1HD2 LEU 11 -16.858 13.781 7.816 55 2HD2 LEU 11 2HD2 LEU 11 -17.744 14.443 9.210 56 3HD2 LEU 11 3HD2 LEU 11 -17.264 12.735 9.183 57 H ASP 12 H ASP 12 -20.911 12.217 6.070 58 HA ASP 12 HA ASP 12 -21.843 9.487 5.605 59 1HB ASP 12 1HB ASP 12 -20.287 11.444 3.858 60 2HB ASP 12 2HB ASP 12 -20.964 9.915 3.298 61 H LEU 13 H LEU 13 -19.472 10.154 7.438 62 HA LEU 13 HA LEU 13 -17.549 8.030 6.667 63 1HB LEU 13 1HB LEU 13 -16.910 10.875 7.591 64 2HB LEU 13 2HB LEU 13 -15.713 9.625 7.380 65 HG LEU 13 HG LEU 13 -17.374 10.776 5.097 66 1HD1 LEU 13 1HD1 LEU 13 -15.953 12.468 6.059 67 2HD1 LEU 13 2HD1 LEU 13 -14.543 11.382 6.026 68 3HD1 LEU 13 3HD1 LEU 13 -15.281 11.945 4.504 69 1HD2 LEU 13 1HD2 LEU 13 -16.567 8.496 4.628 70 2HD2 LEU 13 2HD2 LEU 13 -15.661 9.680 3.684 71 3HD2 LEU 13 3HD2 LEU 13 -14.929 8.950 5.136 72 HA PRO 14 HA PRO 14 -17.735 6.820 10.953 73 1HB PRO 14 1HB PRO 14 -14.796 7.494 11.227 74 2HB PRO 14 2HB PRO 14 -15.666 6.038 11.797 75 1HG PRO 14 1HG PRO 14 -14.205 5.973 9.535 76 2HG PRO 14 2HG PRO 14 -15.831 5.201 9.555 77 1HD PRO 14 1HD PRO 14 -15.013 7.893 8.460 78 2HD PRO 14 2HD PRO 14 -16.100 6.669 7.732 79 H VAL 15 H VAL 15 -18.293 7.756 12.882 80 HA VAL 15 HA VAL 15 -17.284 10.436 13.624 81 HB VAL 15 HB VAL 15 -19.240 10.656 12.067 82 1HG1 VAL 15 1HG1 VAL 15 -20.588 8.738 12.842 83 2HG1 VAL 15 2HG1 VAL 15 -20.923 9.596 14.364 84 3HG1 VAL 15 3HG1 VAL 15 -21.498 10.252 12.823 85 1HG2 VAL 15 1HG2 VAL 15 -18.609 12.472 13.618 86 2HG2 VAL 15 2HG2 VAL 15 -20.321 12.450 13.168 87 3HG2 VAL 15 3HG2 VAL 15 -19.831 11.880 14.769 88 H GLY 16 H GLY 16 -17.043 7.727 14.688 89 1HA GLY 16 1HA GLY 16 -17.070 8.329 17.464 90 2HA GLY 16 2HA GLY 16 -18.467 7.306 17.109 91 H LYS 17 H LYS 17 -16.543 6.443 18.849 92 HA LYS 17 HA LYS 17 -14.399 4.942 17.748 93 1HB LYS 17 1HB LYS 17 -14.451 5.604 20.060 94 2HB LYS 17 2HB LYS 17 -15.894 4.627 20.381 95 1HG LYS 17 1HG LYS 17 -14.723 2.597 20.233 96 2HG LYS 17 2HG LYS 17 -13.411 3.295 19.276 97 1HD LYS 17 1HD LYS 17 -12.712 2.695 21.547 98 2HD LYS 17 2HD LYS 17 -12.461 4.396 21.148 99 1HE LYS 17 1HE LYS 17 -14.314 5.099 22.501 100 2HE LYS 17 2HE LYS 17 -14.861 3.432 22.758 101 1HZ LYS 17 1HZ LYS 17 -13.049 3.011 24.152 102 2HZ LYS 17 2HZ LYS 17 -12.141 4.240 23.590 103 3HZ LYS 17 3HZ LYS 17 -13.419 4.551 24.582 104 H ASP 18 H ASP 18 -17.772 3.925 18.211 105 HA ASP 18 HA ASP 18 -17.386 1.138 17.701 106 1HB ASP 18 1HB ASP 18 -19.756 2.960 17.115 107 2HB ASP 18 2HB ASP 18 -19.788 1.206 16.954 108 H ALA 19 H ALA 19 -17.991 3.841 15.402 109 HA ALA 19 HA ALA 19 -17.984 2.201 13.035 110 1HB ALA 19 1HB ALA 19 -17.717 4.360 11.856 111 2HB ALA 19 2HB ALA 19 -19.000 4.442 13.083 112 3HB ALA 19 3HB ALA 19 -17.410 5.178 13.403 113 H VAL 20 H VAL 20 -15.402 4.106 14.676 114 HA VAL 20 HA VAL 20 -13.357 3.522 12.735 115 HB VAL 20 HB VAL 20 -13.180 4.356 15.651 116 1HG1 VAL 20 1HG1 VAL 20 -10.985 4.005 13.574 117 2HG1 VAL 20 2HG1 VAL 20 -10.799 5.024 15.018 118 3HG1 VAL 20 3HG1 VAL 20 -11.074 3.289 15.197 119 1HG2 VAL 20 1HG2 VAL 20 -12.802 5.855 13.015 120 2HG2 VAL 20 2HG2 VAL 20 -14.175 6.030 14.121 121 3HG2 VAL 20 3HG2 VAL 20 -12.559 6.543 14.633 122 H ASN 21 H ASN 21 -14.169 1.831 15.830 123 HA ASN 21 HA ASN 21 -12.090 -0.130 15.613 124 1HB ASN 21 1HB ASN 21 -14.802 -0.134 17.006 125 2HB ASN 21 2HB ASN 21 -13.668 -1.476 17.113 126 1HD2 ASN 21 1HD2 ASN 21 -14.331 -0.515 19.455 127 2HD2 ASN 21 2HD2 ASN 21 -13.042 0.475 20.119 128 H SER 22 H SER 22 -15.459 -0.153 14.361 129 HA SER 22 HA SER 22 -15.337 -2.798 13.209 130 1HB SER 22 1HB SER 22 -17.404 -1.395 13.721 131 2HB SER 22 2HB SER 22 -17.005 -0.396 12.315 132 HG SER 22 HG SER 22 -18.468 -1.958 11.696 133 H LEU 23 H LEU 23 -14.622 0.458 11.821 134 HA LEU 23 HA LEU 23 -14.025 -0.441 9.182 135 1HB LEU 23 1HB LEU 23 -14.479 1.914 9.872 136 2HB LEU 23 2HB LEU 23 -12.965 1.938 10.774 137 HG LEU 23 HG LEU 23 -11.704 1.637 8.641 138 1HD1 LEU 23 1HD1 LEU 23 -13.438 0.530 7.257 139 2HD1 LEU 23 2HD1 LEU 23 -14.458 1.979 7.360 140 3HD1 LEU 23 3HD1 LEU 23 -12.908 2.033 6.493 141 1HD2 LEU 23 1HD2 LEU 23 -13.674 3.951 8.651 142 2HD2 LEU 23 2HD2 LEU 23 -12.161 3.884 9.583 143 3HD2 LEU 23 3HD2 LEU 23 -12.108 3.916 7.810 144 H ILE 24 H ILE 24 -11.910 -0.079 12.050 145 HA ILE 24 HA ILE 24 -9.471 -0.928 10.772 146 HB ILE 24 HB ILE 24 -10.390 -1.005 13.670 147 1HG1 ILE 24 1HG1 ILE 24 -8.267 0.783 12.400 148 2HG1 ILE 24 2HG1 ILE 24 -9.956 1.255 12.467 149 1HG2 ILE 24 1HG2 ILE 24 -8.699 -2.756 13.432 150 2HG2 ILE 24 2HG2 ILE 24 -7.647 -1.661 12.512 151 3HG2 ILE 24 3HG2 ILE 24 -7.964 -1.389 14.241 152 1HD1 ILE 24 1HD1 ILE 24 -8.880 2.263 14.351 153 2HD1 ILE 24 2HD1 ILE 24 -9.897 0.962 14.981 154 3HD1 ILE 24 3HD1 ILE 24 -8.136 0.742 14.852 155 H ARG 25 H ARG 25 -12.011 -2.755 12.565 156 HA ARG 25 HA ARG 25 -10.834 -5.338 12.406 157 1HB ARG 25 1HB ARG 25 -12.766 -4.664 13.851 158 2HB ARG 25 2HB ARG 25 -13.784 -4.570 12.406 159 1HG ARG 25 1HG ARG 25 -13.194 -7.044 12.047 160 2HG ARG 25 2HG ARG 25 -12.498 -6.971 13.683 161 1HD ARG 25 1HD ARG 25 -14.726 -7.870 13.836 162 2HD ARG 25 2HD ARG 25 -14.749 -6.244 14.522 163 HE ARG 25 HE ARG 25 -15.597 -6.849 11.678 164 1HH1 ARG 25 1HH1 ARG 25 -16.403 -5.147 14.670 165 2HH1 ARG 25 2HH1 ARG 25 -17.576 -4.169 13.817 166 1HH2 ARG 25 1HH2 ARG 25 -16.971 -5.644 10.787 167 2HH2 ARG 25 2HH2 ARG 25 -17.707 -4.277 11.628 168 H GLU 26 H GLU 26 -13.147 -3.810 10.116 169 HA GLU 26 HA GLU 26 -13.181 -6.083 8.322 170 1HB GLU 26 1HB GLU 26 -14.017 -3.198 7.887 171 2HB GLU 26 2HB GLU 26 -14.299 -4.508 6.745 172 1HG GLU 26 1HG GLU 26 -15.491 -4.220 9.517 173 2HG GLU 26 2HG GLU 26 -16.323 -4.133 7.977 174 H ASN 27 H ASN 27 -10.801 -3.673 8.747 175 HA ASN 27 HA ASN 27 -9.474 -4.436 6.177 176 1HB ASN 27 1HB ASN 27 -9.695 -1.674 7.402 177 2HB ASN 27 2HB ASN 27 -8.771 -2.063 5.960 178 1HD2 ASN 27 1HD2 ASN 27 -11.925 -1.419 7.238 179 2HD2 ASN 27 2HD2 ASN 27 -12.757 -1.433 5.674 180 H SER 28 H SER 28 -9.022 -5.618 8.754 181 HA SER 28 HA SER 28 -6.937 -4.579 10.278 182 1HB SER 28 1HB SER 28 -6.605 -6.900 11.048 183 2HB SER 28 2HB SER 28 -8.313 -6.429 10.987 184 HG SER 28 HG SER 28 -8.031 -8.484 10.063 185 H HIS 29 H HIS 29 -6.614 -5.787 7.079 186 HA HIS 29 HA HIS 29 -3.773 -6.485 7.220 187 1HB HIS 29 1HB HIS 29 -4.046 -6.901 4.839 188 2HB HIS 29 2HB HIS 29 -5.325 -7.687 5.753 189 HD2 HIS 29 HD2 HIS 29 -5.009 -6.122 2.603 190 HE1 HIS 29 HE1 HIS 29 -8.817 -4.655 3.838 191 HE2 HIS 29 HE2 HIS 29 -7.257 -4.968 1.852 192 H ILE 30 H ILE 30 -5.524 -3.534 6.861 193 HA ILE 30 HA ILE 30 -3.051 -2.100 5.983 194 HB ILE 30 HB ILE 30 -4.401 -0.622 4.560 195 1HG1 ILE 30 1HG1 ILE 30 -6.653 -2.624 5.019 196 2HG1 ILE 30 2HG1 ILE 30 -6.607 -0.963 5.613 197 1HG2 ILE 30 1HG2 ILE 30 -3.109 -2.536 3.656 198 2HG2 ILE 30 2HG2 ILE 30 -4.582 -3.526 3.708 199 3HG2 ILE 30 3HG2 ILE 30 -4.499 -2.106 2.658 200 1HD1 ILE 30 1HD1 ILE 30 -6.822 -1.861 2.718 201 2HD1 ILE 30 2HD1 ILE 30 -8.038 -1.032 3.701 202 3HD1 ILE 30 3HD1 ILE 30 -6.565 -0.172 3.221 203 H PHE 31 H PHE 31 -5.628 -2.191 8.222 204 HA PHE 31 HA PHE 31 -4.818 0.463 9.361 205 1HB PHE 31 1HB PHE 31 -7.554 -0.849 9.472 206 2HB PHE 31 2HB PHE 31 -7.113 0.663 10.235 207 HD1 PHE 31 HD1 PHE 31 -9.510 0.201 8.572 208 HD2 PHE 31 HD2 PHE 31 -5.616 1.719 7.542 209 HE1 PHE 31 HE1 PHE 31 -10.469 1.284 6.556 210 HE2 PHE 31 HE2 PHE 31 -6.590 2.853 5.570 211 HZ PHE 31 HZ PHE 31 -9.006 2.571 5.031 212 H SER 32 H SER 32 -4.817 0.529 11.642 213 HA SER 32 HA SER 32 -5.444 -1.823 13.257 214 1HB SER 32 1HB SER 32 -3.253 -2.192 14.174 215 2HB SER 32 2HB SER 32 -3.155 -2.362 12.418 216 HG SER 32 HG SER 32 -2.447 -0.104 12.408 217 H ASP 33 H ASP 33 -5.124 -1.393 15.594 218 HA ASP 33 HA ASP 33 -6.219 1.102 16.381 219 1HB ASP 33 1HB ASP 33 -4.820 -1.107 17.937 220 2HB ASP 33 2HB ASP 33 -5.585 0.279 18.708 221 H THR 34 H THR 34 -2.893 0.373 15.728 222 HA THR 34 HA THR 34 -2.008 2.881 17.093 223 HB THR 34 HB THR 34 0.180 1.788 17.474 224 HG1 THR 34 HG1 THR 34 0.255 -0.467 17.305 225 1HG2 THR 34 1HG2 THR 34 -2.129 0.261 18.751 226 2HG2 THR 34 2HG2 THR 34 -0.480 0.454 19.386 227 3HG2 THR 34 3HG2 THR 34 -1.549 1.861 19.266 228 H GLN 35 H GLN 35 -2.357 1.569 14.005 229 HA GLN 35 HA GLN 35 -0.734 3.707 12.890 230 1HB GLN 35 1HB GLN 35 0.995 1.928 13.372 231 2HB GLN 35 2HB GLN 35 0.091 0.809 12.362 232 1HG GLN 35 1HG GLN 35 0.501 2.367 10.395 233 2HG GLN 35 2HG GLN 35 1.459 3.386 11.472 234 1HE2 GLN 35 1HE2 GLN 35 3.673 3.007 11.202 235 2HE2 GLN 35 2HE2 GLN 35 4.336 1.432 10.791 236 H CYS 36 H CYS 36 -1.462 4.334 10.942 237 HA CYS 36 HA CYS 36 -3.418 2.592 9.444 238 1HB CYS 36 1HB CYS 36 -4.294 4.834 10.059 239 2HB CYS 36 2HB CYS 36 -2.919 5.586 9.234 240 H LYS 37 H LYS 37 -2.383 1.463 7.832 241 HA LYS 37 HA LYS 37 0.252 2.398 6.872 242 1HB LYS 37 1HB LYS 37 -1.267 -0.156 6.171 243 2HB LYS 37 2HB LYS 37 0.402 0.237 5.781 244 1HG LYS 37 1HG LYS 37 0.900 -0.914 7.649 245 2HG LYS 37 2HG LYS 37 0.535 0.601 8.471 246 1HD LYS 37 1HD LYS 37 -1.874 -0.285 8.724 247 2HD LYS 37 2HD LYS 37 -1.278 -1.831 8.123 248 1HE LYS 37 1HE LYS 37 -0.571 -0.369 10.695 249 2HE LYS 37 2HE LYS 37 -1.425 -1.901 10.521 250 1HZ LYS 37 1HZ LYS 37 0.793 -2.397 11.142 251 2HZ LYS 37 2HZ LYS 37 0.738 -2.775 9.551 252 3HZ LYS 37 3HZ LYS 37 1.449 -1.372 10.069 253 H VAL 38 H VAL 38 -2.998 2.606 5.671 254 HA VAL 38 HA VAL 38 -2.318 3.006 2.860 255 HB VAL 38 HB VAL 38 -4.718 4.041 4.436 256 1HG1 VAL 38 1HG1 VAL 38 -4.223 3.803 1.440 257 2HG1 VAL 38 2HG1 VAL 38 -5.812 4.106 2.172 258 3HG1 VAL 38 3HG1 VAL 38 -4.527 5.295 2.357 259 1HG2 VAL 38 1HG2 VAL 38 -4.314 1.521 2.771 260 2HG2 VAL 38 2HG2 VAL 38 -4.660 1.615 4.514 261 3HG2 VAL 38 3HG2 VAL 38 -5.890 2.105 3.347 262 H CYS 39 H CYS 39 -2.512 5.119 5.707 263 HA CYS 39 HA CYS 39 -1.660 7.496 4.147 264 1HB CYS 39 1HB CYS 39 -2.774 7.147 6.939 265 2HB CYS 39 2HB CYS 39 -2.454 8.677 6.136 266 H SER 40 H SER 40 -0.105 5.027 5.537 267 HA SER 40 HA SER 40 1.680 4.600 6.851 268 1HB SER 40 1HB SER 40 2.819 6.760 5.020 269 2HB SER 40 2HB SER 40 3.764 5.524 5.876 270 HG SER 40 HG SER 40 3.308 4.925 3.705 271 H ALA 41 H ALA 41 0.314 5.768 8.558 272 HA ALA 41 HA ALA 41 2.084 7.706 10.008 273 1HB ALA 41 1HB ALA 41 0.296 8.966 8.869 274 2HB ALA 41 2HB ALA 41 -0.933 7.933 9.636 275 3HB ALA 41 3HB ALA 41 0.079 9.003 10.631 276 H VAL 42 H VAL 42 2.261 7.462 12.142 277 HA VAL 42 HA VAL 42 1.119 5.040 13.400 278 HB VAL 42 HB VAL 42 3.207 7.053 14.366 279 1HG1 VAL 42 1HG1 VAL 42 3.785 5.355 16.086 280 2HG1 VAL 42 2HG1 VAL 42 2.166 5.998 16.332 281 3HG1 VAL 42 3HG1 VAL 42 2.379 4.387 15.603 282 1HG2 VAL 42 1HG2 VAL 42 3.498 4.195 13.332 283 2HG2 VAL 42 2HG2 VAL 42 3.995 5.668 12.464 284 3HG2 VAL 42 3HG2 VAL 42 4.813 5.212 13.957 285 H LEU 43 H LEU 43 -0.082 5.048 15.228 286 HA LEU 43 HA LEU 43 -1.579 7.532 15.962 287 1HB LEU 43 1HB LEU 43 -2.650 4.698 15.690 288 2HB LEU 43 2HB LEU 43 -3.580 6.142 16.028 289 HG LEU 43 HG LEU 43 -2.066 5.632 13.416 290 1HD1 LEU 43 1HD1 LEU 43 -4.198 5.153 12.407 291 2HD1 LEU 43 2HD1 LEU 43 -3.881 4.016 13.727 292 3HD1 LEU 43 3HD1 LEU 43 -5.025 5.347 13.957 293 1HD2 LEU 43 1HD2 LEU 43 -3.419 7.468 12.532 294 2HD2 LEU 43 2HD2 LEU 43 -4.144 7.738 14.136 295 3HD2 LEU 43 3HD2 LEU 43 -2.418 8.037 13.869 296 H ILE 44 H ILE 44 0.106 7.711 17.547 297 HA ILE 44 HA ILE 44 0.877 5.877 19.469 298 HB ILE 44 HB ILE 44 1.706 7.768 20.773 299 1HG1 ILE 44 1HG1 ILE 44 0.196 9.554 18.808 300 2HG1 ILE 44 2HG1 ILE 44 -0.225 9.300 20.502 301 1HG2 ILE 44 1HG2 ILE 44 2.161 8.225 17.793 302 2HG2 ILE 44 2HG2 ILE 44 3.274 8.566 19.130 303 3HG2 ILE 44 3HG2 ILE 44 2.879 6.895 18.732 304 1HD1 ILE 44 1HD1 ILE 44 0.928 11.398 20.306 305 2HD1 ILE 44 2HD1 ILE 44 1.980 10.265 21.178 306 3HD1 ILE 44 3HD1 ILE 44 2.294 10.650 19.467 307 H SER 45 H SER 45 -2.234 7.339 19.493 308 HA SER 45 HA SER 45 -2.928 5.935 21.955 309 1HB SER 45 1HB SER 45 -2.106 8.216 22.724 310 2HB SER 45 2HB SER 45 -3.444 8.929 21.799 311 HG SER 45 HG SER 45 -3.952 8.554 24.028 312 H GLU 46 H GLU 46 -5.289 5.971 22.301 313 HA GLU 46 HA GLU 46 -6.806 5.457 19.928 314 1HB GLU 46 1HB GLU 46 -7.280 4.496 22.122 315 2HB GLU 46 2HB GLU 46 -7.811 6.076 22.727 316 1HG GLU 46 1HG GLU 46 -9.744 6.083 21.385 317 2HG GLU 46 2HG GLU 46 -9.065 4.951 20.218 318 H SER 47 H SER 47 -6.476 8.539 21.795 319 HA SER 47 HA SER 47 -8.592 9.894 20.396 320 1HB SER 47 1HB SER 47 -7.438 11.969 21.116 321 2HB SER 47 2HB SER 47 -7.780 10.823 22.423 322 HG SER 47 HG SER 47 -5.652 11.610 22.599 323 H GLN 48 H GLN 48 -5.113 9.503 19.613 324 HA GLN 48 HA GLN 48 -5.234 11.119 17.187 325 1HB GLN 48 1HB GLN 48 -3.248 9.070 18.250 326 2HB GLN 48 2HB GLN 48 -3.159 9.656 16.593 327 1HG GLN 48 1HG GLN 48 -1.669 10.991 17.874 328 2HG GLN 48 2HG GLN 48 -3.026 11.999 17.395 329 1HE2 GLN 48 1HE2 GLN 48 -3.896 13.264 19.079 330 2HE2 GLN 48 2HE2 GLN 48 -3.701 12.859 20.778 331 H LYS 49 H LYS 49 -5.656 7.622 17.892 332 HA LYS 49 HA LYS 49 -5.985 6.816 15.158 333 1HB LYS 49 1HB LYS 49 -5.966 4.796 16.120 334 2HB LYS 49 2HB LYS 49 -5.968 5.552 17.701 335 1HG LYS 49 1HG LYS 49 -8.462 5.509 17.698 336 2HG LYS 49 2HG LYS 49 -8.423 4.691 16.130 337 1HD LYS 49 1HD LYS 49 -7.295 2.760 17.183 338 2HD LYS 49 2HD LYS 49 -7.304 3.600 18.755 339 1HE LYS 49 1HE LYS 49 -9.793 3.900 18.474 340 2HE LYS 49 2HE LYS 49 -9.700 2.853 17.033 341 1HZ LYS 49 1HZ LYS 49 -10.364 1.489 18.776 342 2HZ LYS 49 2HZ LYS 49 -8.793 1.107 18.606 343 3HZ LYS 49 3HZ LYS 49 -9.296 2.090 19.863 344 H LEU 50 H LEU 50 -8.421 7.818 17.542 345 HA LEU 50 HA LEU 50 -10.680 7.558 15.800 346 1HB LEU 50 1HB LEU 50 -10.189 9.301 18.260 347 2HB LEU 50 2HB LEU 50 -11.743 9.198 17.434 348 HG LEU 50 HG LEU 50 -10.324 6.870 18.801 349 1HD1 LEU 50 1HD1 LEU 50 -12.865 8.375 19.528 350 2HD1 LEU 50 2HD1 LEU 50 -12.165 6.996 20.404 351 3HD1 LEU 50 3HD1 LEU 50 -11.294 8.538 20.351 352 1HD2 LEU 50 1HD2 LEU 50 -12.391 5.625 18.478 353 2HD2 LEU 50 2HD2 LEU 50 -13.041 6.939 17.461 354 3HD2 LEU 50 3HD2 LEU 50 -11.617 5.994 16.948 355 H ALA 51 H ALA 51 -8.626 10.453 16.484 356 HA ALA 51 HA ALA 51 -10.054 12.139 14.671 357 1HB ALA 51 1HB ALA 51 -8.046 13.583 14.843 358 2HB ALA 51 2HB ALA 51 -8.523 12.970 16.438 359 3HB ALA 51 3HB ALA 51 -7.137 12.249 15.588 360 H HIS 52 H HIS 52 -7.193 10.021 14.059 361 HA HIS 52 HA HIS 52 -6.852 10.905 11.353 362 1HB HIS 52 1HB HIS 52 -5.152 9.718 12.746 363 2HB HIS 52 2HB HIS 52 -6.088 8.229 12.584 364 HD1 HIS 52 HD1 HIS 52 -3.475 10.238 10.805 365 HD2 HIS 52 HD2 HIS 52 -6.394 7.350 9.872 366 HE1 HIS 52 HE1 HIS 52 -2.899 9.346 8.473 367 H TYR 53 H TYR 53 -8.555 7.952 12.634 368 HA TYR 53 HA TYR 53 -9.356 7.119 10.002 369 1HB TYR 53 1HB TYR 53 -10.304 6.311 12.760 370 2HB TYR 53 2HB TYR 53 -10.909 5.575 11.280 371 HD1 TYR 53 HD1 TYR 53 -8.927 4.896 9.546 372 HD2 TYR 53 HD2 TYR 53 -8.622 4.990 13.827 373 HE1 TYR 53 HE1 TYR 53 -6.937 3.398 9.434 374 HE2 TYR 53 HE2 TYR 53 -6.668 3.459 13.727 375 HH TYR 53 HH TYR 53 -5.262 2.310 12.408 376 H GLN 54 H GLN 54 -10.715 9.585 11.989 377 HA GLN 54 HA GLN 54 -13.309 9.547 10.515 378 1HB GLN 54 1HB GLN 54 -12.310 11.182 12.877 379 2HB GLN 54 2HB GLN 54 -13.903 11.350 12.140 380 1HG GLN 54 1HG GLN 54 -14.521 9.077 12.767 381 2HG GLN 54 2HG GLN 54 -12.917 8.739 13.362 382 1HE2 GLN 54 1HE2 GLN 54 -14.046 8.146 15.404 383 2HE2 GLN 54 2HE2 GLN 54 -14.503 9.450 16.495 384 H SER 55 H SER 55 -10.208 11.112 10.225 385 HA SER 55 HA SER 55 -11.126 13.678 9.393 386 1HB SER 55 1HB SER 55 -8.951 14.251 9.029 387 2HB SER 55 2HB SER 55 -8.751 12.926 10.172 388 HG SER 55 HG SER 55 -7.319 12.628 8.506 389 H ARG 56 H ARG 56 -10.974 14.758 7.421 390 HA ARG 56 HA ARG 56 -12.185 13.410 5.162 391 1HB ARG 56 1HB ARG 56 -10.897 16.163 5.290 392 2HB ARG 56 2HB ARG 56 -11.971 15.572 4.022 393 1HG ARG 56 1HG ARG 56 -12.722 15.994 6.939 394 2HG ARG 56 2HG ARG 56 -13.118 17.069 5.596 395 1HD ARG 56 1HD ARG 56 -14.475 15.211 4.575 396 2HD ARG 56 2HD ARG 56 -14.117 14.222 5.992 397 HE ARG 56 HE ARG 56 -15.458 15.590 7.363 398 1HH1 ARG 56 1HH1 ARG 56 -15.542 16.862 4.094 399 2HH1 ARG 56 2HH1 ARG 56 -16.897 17.899 4.444 400 1HH2 ARG 56 1HH2 ARG 56 -17.172 16.943 7.731 401 2HH2 ARG 56 2HH2 ARG 56 -17.790 17.934 6.444 402 H LYS 57 H LYS 57 -8.873 14.299 5.971 403 HA LYS 57 HA LYS 57 -7.701 13.852 3.368 404 1HB LYS 57 1HB LYS 57 -6.724 15.213 5.275 405 2HB LYS 57 2HB LYS 57 -6.394 13.710 6.127 406 1HG LYS 57 1HG LYS 57 -4.387 14.524 5.067 407 2HG LYS 57 2HG LYS 57 -4.862 13.009 4.291 408 1HD LYS 57 1HD LYS 57 -5.684 14.190 2.326 409 2HD LYS 57 2HD LYS 57 -5.608 15.743 3.167 410 1HE LYS 57 1HE LYS 57 -3.772 15.658 1.642 411 2HE LYS 57 2HE LYS 57 -3.139 15.583 3.287 412 1HZ LYS 57 1HZ LYS 57 -3.478 13.246 1.477 413 2HZ LYS 57 2HZ LYS 57 -2.059 13.971 1.825 414 3HZ LYS 57 3HZ LYS 57 -2.863 13.177 2.999 415 H HIS 58 H HIS 58 -8.049 11.781 6.265 416 HA HIS 58 HA HIS 58 -6.809 9.412 5.187 417 1HB HIS 58 1HB HIS 58 -7.174 9.624 7.555 418 2HB HIS 58 2HB HIS 58 -8.907 9.890 7.333 419 HD2 HIS 58 HD2 HIS 58 -10.478 7.794 6.948 420 HE1 HIS 58 HE1 HIS 58 -7.521 4.742 7.274 421 HE2 HIS 58 HE2 HIS 58 -10.024 5.208 7.135 422 H ALA 59 H ALA 59 -10.259 10.470 5.289 423 HA ALA 59 HA ALA 59 -11.350 8.245 3.935 424 1HB ALA 59 1HB ALA 59 -13.235 9.775 3.464 425 2HB ALA 59 2HB ALA 59 -12.669 9.936 5.142 426 3HB ALA 59 3HB ALA 59 -12.242 11.166 3.933 427 H ASN 60 H ASN 60 -10.006 11.287 2.547 428 HA ASN 60 HA ASN 60 -10.575 10.600 -0.187 429 1HB ASN 60 1HB ASN 60 -8.816 12.624 1.216 430 2HB ASN 60 2HB ASN 60 -8.513 12.291 -0.483 431 1HD2 ASN 60 1HD2 ASN 60 -10.848 13.656 1.764 432 2HD2 ASN 60 2HD2 ASN 60 -11.867 14.354 0.499 433 H LYS 61 H LYS 61 -7.569 10.089 1.771 434 HA LYS 61 HA LYS 61 -6.092 8.812 -0.351 435 1HB LYS 61 1HB LYS 61 -5.906 8.684 2.689 436 2HB LYS 61 2HB LYS 61 -4.938 7.639 1.671 437 1HG LYS 61 1HG LYS 61 -4.434 10.077 0.472 438 2HG LYS 61 2HG LYS 61 -4.701 10.566 2.145 439 1HD LYS 61 1HD LYS 61 -2.345 10.157 1.881 440 2HD LYS 61 2HD LYS 61 -2.989 8.813 2.837 441 1HE LYS 61 1HE LYS 61 -3.136 7.447 0.718 442 2HE LYS 61 2HE LYS 61 -2.437 8.809 -0.172 443 1HZ LYS 61 1HZ LYS 61 -0.691 7.317 0.317 444 2HZ LYS 61 2HZ LYS 61 -0.463 8.530 1.385 445 3HZ LYS 61 3HZ LYS 61 -1.140 7.091 1.857 446 H VAL 62 H VAL 62 -8.231 7.380 2.150 447 HA VAL 62 HA VAL 62 -7.866 4.667 1.278 448 HB VAL 62 HB VAL 62 -10.138 6.003 2.786 449 1HG1 VAL 62 1HG1 VAL 62 -9.659 3.027 2.282 450 2HG1 VAL 62 2HG1 VAL 62 -10.803 3.697 3.466 451 3HG1 VAL 62 3HG1 VAL 62 -11.068 3.972 1.746 452 1HG2 VAL 62 1HG2 VAL 62 -7.861 4.148 3.643 453 2HG2 VAL 62 2HG2 VAL 62 -7.905 5.893 3.929 454 3HG2 VAL 62 3HG2 VAL 62 -9.105 4.856 4.698 455 H ARG 63 H ARG 63 -10.303 7.135 0.256 456 HA ARG 63 HA ARG 63 -11.726 5.428 -1.536 457 1HB ARG 63 1HB ARG 63 -12.470 7.654 -0.749 458 2HB ARG 63 2HB ARG 63 -11.247 8.429 -1.767 459 1HG ARG 63 1HG ARG 63 -12.319 7.541 -3.794 460 2HG ARG 63 2HG ARG 63 -13.455 6.592 -2.811 461 1HD ARG 63 1HD ARG 63 -14.361 8.693 -1.847 462 2HD ARG 63 2HD ARG 63 -13.227 9.628 -2.822 463 HE ARG 63 HE ARG 63 -14.490 9.242 -4.747 464 1HH1 ARG 63 1HH1 ARG 63 -15.896 7.312 -2.172 465 2HH1 ARG 63 2HH1 ARG 63 -17.329 6.968 -3.101 466 1HH2 ARG 63 1HH2 ARG 63 -16.339 8.757 -5.863 467 2HH2 ARG 63 2HH2 ARG 63 -17.565 7.765 -5.131 468 H ARG 64 H ARG 64 -8.770 7.376 -2.149 469 HA ARG 64 HA ARG 64 -8.592 6.586 -4.961 470 1HB ARG 64 1HB ARG 64 -6.319 7.523 -3.158 471 2HB ARG 64 2HB ARG 64 -6.316 7.417 -4.913 472 1HG ARG 64 1HG ARG 64 -7.635 9.442 -3.148 473 2HG ARG 64 2HG ARG 64 -6.584 9.677 -4.527 474 1HD ARG 64 1HD ARG 64 -8.427 8.911 -6.036 475 2HD ARG 64 2HD ARG 64 -9.502 8.775 -4.644 476 HE ARG 64 HE ARG 64 -8.759 11.184 -6.051 477 1HH1 ARG 64 1HH1 ARG 64 -9.600 10.200 -2.764 478 2HH1 ARG 64 2HH1 ARG 64 -10.338 11.765 -2.450 479 1HH2 ARG 64 1HH2 ARG 64 -9.663 13.136 -5.464 480 2HH2 ARG 64 2HH2 ARG 64 -10.324 13.329 -3.862 481 H TYR 65 H TYR 65 -6.978 5.364 -2.018 482 HA TYR 65 HA TYR 65 -5.433 3.333 -3.249 483 1HB TYR 65 1HB TYR 65 -5.161 4.255 -0.960 484 2HB TYR 65 2HB TYR 65 -6.647 3.468 -0.456 485 HD1 TYR 65 HD1 TYR 65 -6.617 1.203 0.314 486 HD2 TYR 65 HD2 TYR 65 -3.187 2.843 -1.730 487 HE1 TYR 65 HE1 TYR 65 -5.282 -0.790 0.955 488 HE2 TYR 65 HE2 TYR 65 -1.844 0.847 -1.068 489 HH TYR 65 HH TYR 65 -3.231 -1.847 0.829 490 H MET 66 H MET 66 -8.782 3.157 -1.967 491 HA MET 66 HA MET 66 -9.196 0.368 -2.326 492 1HB MET 66 1HB MET 66 -11.052 2.773 -2.216 493 2HB MET 66 2HB MET 66 -11.679 1.142 -2.492 494 1HG MET 66 1HG MET 66 -9.892 1.856 -0.147 495 2HG MET 66 2HG MET 66 -11.652 1.873 -0.072 496 1HE MET 66 1HE MET 66 -9.635 -1.351 1.697 497 2HE MET 66 2HE MET 66 -8.740 0.019 1.001 498 3HE MET 66 3HE MET 66 -10.147 0.314 2.056 499 H ALA 67 H ALA 67 -9.372 3.028 -4.707 500 HA ALA 67 HA ALA 67 -10.643 1.473 -6.775 501 1HB ALA 67 1HB ALA 67 -8.847 3.924 -7.036 502 2HB ALA 67 2HB ALA 67 -9.993 3.305 -8.236 503 3HB ALA 67 3HB ALA 67 -10.594 3.966 -6.703 504 H ILE 68 H ILE 68 -7.261 1.839 -5.742 505 HA ILE 68 HA ILE 68 -6.098 0.498 -8.061 506 HB ILE 68 HB ILE 68 -4.818 0.757 -5.317 507 1HG1 ILE 68 1HG1 ILE 68 -5.498 2.995 -5.721 508 2HG1 ILE 68 2HG1 ILE 68 -3.781 2.877 -6.003 509 1HG2 ILE 68 1HG2 ILE 68 -3.661 0.613 -8.133 510 2HG2 ILE 68 2HG2 ILE 68 -2.718 0.865 -6.649 511 3HG2 ILE 68 3HG2 ILE 68 -3.595 -0.646 -6.885 512 1HD1 ILE 68 1HD1 ILE 68 -4.852 4.327 -7.652 513 2HD1 ILE 68 2HD1 ILE 68 -4.163 2.907 -8.460 514 3HD1 ILE 68 3HD1 ILE 68 -5.919 3.016 -8.178 515 H ASN 69 H ASN 69 -7.134 -0.441 -4.816 516 HA ASN 69 HA ASN 69 -6.191 -3.194 -4.978 517 1HB ASN 69 1HB ASN 69 -7.755 -1.593 -2.923 518 2HB ASN 69 2HB ASN 69 -7.457 -3.321 -2.751 519 1HD2 ASN 69 1HD2 ASN 69 -5.784 -0.164 -2.994 520 2HD2 ASN 69 2HD2 ASN 69 -4.317 -0.769 -2.240 521 H GLN 70 H GLN 70 -7.424 -3.283 -7.139 522 HA GLN 70 HA GLN 70 -9.922 -4.854 -6.704 523 1HB GLN 70 1HB GLN 70 -9.525 -2.713 -8.842 524 2HB GLN 70 2HB GLN 70 -10.874 -3.850 -8.753 525 1HG GLN 70 1HG GLN 70 -11.496 -2.893 -6.517 526 2HG GLN 70 2HG GLN 70 -10.235 -1.670 -6.735 527 1HE2 GLN 70 1HE2 GLN 70 -10.435 -0.224 -8.702 528 2HE2 GLN 70 2HE2 GLN 70 -12.070 0.129 -9.269 529 H GLY 71 H GLY 71 -10.410 -6.272 -8.546 530 1HA GLY 71 1HA GLY 71 -8.041 -7.082 -10.197 531 2HA GLY 71 2HA GLY 71 -8.880 -8.253 -9.188 532 H GLU 72 H GLU 72 -8.664 -8.954 -11.656 533 HA GLU 72 HA GLU 72 -11.365 -8.806 -12.848 534 1HB GLU 72 1HB GLU 72 -10.521 -8.241 -15.043 535 2HB GLU 72 2HB GLU 72 -10.079 -6.981 -13.898 536 1HG GLU 72 1HG GLU 72 -7.774 -7.977 -13.730 537 2HG GLU 72 2HG GLU 72 -8.229 -9.179 -14.936 538 H ASP 73 H ASP 73 -11.256 -10.297 -14.970 539 HA ASP 73 HA ASP 73 -9.600 -12.706 -14.555 540 1HB ASP 73 1HB ASP 73 -11.698 -12.988 -13.206 541 2HB ASP 73 2HB ASP 73 -12.641 -12.806 -14.689 542 H SER 74 H SER 74 -9.601 -14.155 -16.367 543 HA SER 74 HA SER 74 -9.553 -12.771 -18.924 544 1HB SER 74 1HB SER 74 -7.893 -14.488 -18.231 545 2HB SER 74 2HB SER 74 -9.161 -15.728 -18.325 546 HG SER 74 HG SER 74 -7.911 -15.545 -20.271 547 H VAL 75 H VAL 75 -11.246 -12.449 -20.184 548 HA VAL 75 HA VAL 75 -13.264 -14.551 -20.686 549 HB VAL 75 HB VAL 75 -15.121 -12.907 -20.512 550 1HG1 VAL 75 1HG1 VAL 75 -14.647 -14.488 -18.660 551 2HG1 VAL 75 2HG1 VAL 75 -13.680 -13.227 -17.859 552 3HG1 VAL 75 3HG1 VAL 75 -15.413 -12.981 -18.127 553 1HG2 VAL 75 1HG2 VAL 75 -13.896 -10.772 -20.662 554 2HG2 VAL 75 2HG2 VAL 75 -14.906 -10.866 -19.216 555 3HG2 VAL 75 3HG2 VAL 75 -13.153 -11.086 -19.079 556 HA PRO 76 HA PRO 76 -12.735 -12.997 -24.812 557 1HB PRO 76 1HB PRO 76 -14.994 -13.810 -26.107 558 2HB PRO 76 2HB PRO 76 -13.764 -14.957 -25.495 559 1HG PRO 76 1HG PRO 76 -16.357 -14.122 -24.155 560 2HG PRO 76 2HG PRO 76 -15.729 -15.782 -24.413 561 1HD PRO 76 1HD PRO 76 -15.391 -14.457 -22.056 562 2HD PRO 76 2HD PRO 76 -14.133 -15.548 -22.701 563 H ALA 77 H ALA 77 -15.509 -11.917 -22.962 564 HA ALA 77 HA ALA 77 -16.448 -9.872 -24.783 565 1HB ALA 77 1HB ALA 77 -17.874 -10.982 -23.086 566 2HB ALA 77 2HB ALA 77 -16.881 -10.285 -21.785 567 3HB ALA 77 3HB ALA 77 -17.841 -9.227 -22.842 568 H LYS 78 H LYS 78 -16.504 -7.565 -24.230 569 HA LYS 78 HA LYS 78 -13.868 -6.443 -23.669 570 1HB LYS 78 1HB LYS 78 -16.547 -5.138 -24.322 571 2HB LYS 78 2HB LYS 78 -15.005 -4.280 -24.203 572 1HG LYS 78 1HG LYS 78 -14.062 -5.714 -26.010 573 2HG LYS 78 2HG LYS 78 -15.651 -6.476 -26.212 574 1HD LYS 78 1HD LYS 78 -16.649 -4.268 -26.746 575 2HD LYS 78 2HD LYS 78 -15.057 -3.502 -26.544 576 1HE LYS 78 1HE LYS 78 -14.143 -4.936 -28.361 577 2HE LYS 78 2HE LYS 78 -15.732 -5.684 -28.570 578 1HZ LYS 78 1HZ LYS 78 -16.609 -3.491 -29.184 579 2HZ LYS 78 2HZ LYS 78 -15.139 -2.801 -28.990 580 3HZ LYS 78 3HZ LYS 78 -15.378 -3.897 -30.175 581 H LYS 79 H LYS 79 -15.159 -7.758 -21.380 582 HA LYS 79 HA LYS 79 -15.866 -5.698 -19.426 583 1HB LYS 79 1HB LYS 79 -16.815 -8.064 -19.587 584 2HB LYS 79 2HB LYS 79 -15.292 -8.634 -18.898 585 1HG LYS 79 1HG LYS 79 -15.708 -7.125 -16.903 586 2HG LYS 79 2HG LYS 79 -17.256 -6.672 -17.612 587 1HD LYS 79 1HD LYS 79 -16.437 -9.503 -16.804 588 2HD LYS 79 2HD LYS 79 -17.434 -8.404 -15.840 589 1HE LYS 79 1HE LYS 79 -19.111 -8.328 -17.701 590 2HE LYS 79 2HE LYS 79 -18.146 -9.516 -18.591 591 1HZ LYS 79 1HZ LYS 79 -19.360 -9.994 -15.922 592 2HZ LYS 79 2HZ LYS 79 -19.937 -10.574 -17.332 593 3HZ LYS 79 3HZ LYS 79 -18.498 -11.097 -16.771 594 H PHE 80 H PHE 80 -13.616 -4.758 -20.261 595 HA PHE 80 HA PHE 80 -11.203 -5.689 -18.989 596 1HB PHE 80 1HB PHE 80 -11.870 -2.929 -20.072 597 2HB PHE 80 2HB PHE 80 -10.260 -3.573 -19.774 598 HD1 PHE 80 HD1 PHE 80 -9.843 -5.997 -20.990 599 HD2 PHE 80 HD2 PHE 80 -12.562 -2.921 -22.323 600 HE1 PHE 80 HE1 PHE 80 -9.764 -6.919 -23.294 601 HE2 PHE 80 HE2 PHE 80 -12.462 -3.837 -24.628 602 HZ PHE 80 HZ PHE 80 -11.072 -5.843 -25.116 603 H LYS 81 H LYS 81 -13.845 -3.917 -17.718 604 HA LYS 81 HA LYS 81 -12.573 -2.403 -15.621 605 1HB LYS 81 1HB LYS 81 -14.836 -2.201 -14.725 606 2HB LYS 81 2HB LYS 81 -14.841 -1.914 -16.459 607 1HG LYS 81 1HG LYS 81 -15.760 -4.127 -16.908 608 2HG LYS 81 2HG LYS 81 -15.603 -4.610 -15.219 609 1HD LYS 81 1HD LYS 81 -17.396 -2.345 -16.181 610 2HD LYS 81 2HD LYS 81 -17.923 -4.016 -15.922 611 1HE LYS 81 1HE LYS 81 -17.190 -3.874 -13.539 612 2HE LYS 81 2HE LYS 81 -16.745 -2.182 -13.785 613 1HZ LYS 81 1HZ LYS 81 -19.490 -3.279 -14.090 614 2HZ LYS 81 2HZ LYS 81 -18.967 -2.374 -12.839 615 3HZ LYS 81 3HZ LYS 81 -19.077 -1.715 -14.327 616 H ALA 82 H ALA 82 -13.122 -2.806 -13.261 617 HA ALA 82 HA ALA 82 -11.966 -5.263 -12.350 618 1HB ALA 82 1HB ALA 82 -11.838 -3.185 -11.051 619 2HB ALA 82 2HB ALA 82 -13.610 -3.155 -10.875 620 3HB ALA 82 3HB ALA 82 -12.664 -4.446 -10.110 621 H ALA 83 H ALA 83 -12.883 -7.207 -11.831 622 HA ALA 83 HA ALA 83 -15.719 -7.554 -11.271 623 1HB ALA 83 1HB ALA 83 -15.804 -7.357 -13.741 624 2HB ALA 83 2HB ALA 83 -14.545 -8.601 -13.899 625 3HB ALA 83 3HB ALA 83 -16.145 -9.026 -13.260 626 HA PRO 84 HA PRO 84 -13.945 -11.224 -9.362 627 1HB PRO 84 1HB PRO 84 -16.160 -12.711 -8.809 628 2HB PRO 84 2HB PRO 84 -15.838 -11.149 -7.996 629 1HG PRO 84 1HG PRO 84 -17.613 -11.657 -10.407 630 2HG PRO 84 2HG PRO 84 -18.019 -10.762 -8.907 631 1HD PRO 84 1HD PRO 84 -17.182 -9.499 -11.180 632 2HD PRO 84 2HD PRO 84 -16.728 -8.903 -9.556 633 H ALA 85 H ALA 85 -13.995 -13.702 -9.621 634 HA ALA 85 HA ALA 85 -13.276 -14.425 -12.244 635 1HB ALA 85 1HB ALA 85 -13.191 -16.707 -11.343 636 2HB ALA 85 2HB ALA 85 -12.483 -15.550 -10.203 637 3HB ALA 85 3HB ALA 85 -14.117 -16.196 -9.914 638 H GLU 86 H GLU 86 -14.248 -15.405 -13.941 639 HA GLU 86 HA GLU 86 -17.208 -15.479 -14.013 640 1HB GLU 86 1HB GLU 86 -15.516 -14.342 -15.708 641 2HB GLU 86 2HB GLU 86 -15.358 -15.971 -16.353 642 1HG GLU 86 1HG GLU 86 -16.990 -14.865 -17.675 643 2HG GLU 86 2HG GLU 86 -17.907 -15.966 -16.670 644 H ILE 87 H ILE 87 -15.049 -17.675 -13.045 645 HA ILE 87 HA ILE 87 -15.772 -20.035 -14.563 646 HB ILE 87 HB ILE 87 -14.321 -20.009 -11.904 647 1HG1 ILE 87 1HG1 ILE 87 -13.118 -18.361 -13.192 648 2HG1 ILE 87 2HG1 ILE 87 -12.183 -19.832 -13.104 649 1HG2 ILE 87 1HG2 ILE 87 -14.862 -22.258 -12.733 650 2HG2 ILE 87 2HG2 ILE 87 -14.200 -21.873 -14.326 651 3HG2 ILE 87 3HG2 ILE 87 -13.137 -21.977 -12.906 652 1HD1 ILE 87 1HD1 ILE 87 -12.785 -20.405 -15.436 653 2HD1 ILE 87 2HD1 ILE 87 -13.791 -18.940 -15.543 654 3HD1 ILE 87 3HD1 ILE 87 -12.039 -18.804 -15.326 655 H SER 88 H SER 88 -18.159 -19.053 -13.882 656 HA SER 88 HA SER 88 -19.323 -19.926 -11.423 657 1HB SER 88 1HB SER 88 -21.477 -19.562 -12.570 658 2HB SER 88 2HB SER 88 -20.351 -18.212 -12.783 659 HG SER 88 HG SER 88 -21.381 -18.810 -14.755 660 H ASP 89 H ASP 89 -18.586 -21.728 -14.306 661 HA ASP 89 HA ASP 89 -20.364 -23.980 -13.822 662 1HB ASP 89 1HB ASP 89 -19.471 -23.223 -16.055 663 2HB ASP 89 2HB ASP 89 -17.870 -23.763 -15.556 664 H GLY 90 H GLY 90 -17.625 -22.962 -12.178 665 1HA GLY 90 1HA GLY 90 -17.231 -25.522 -10.785 666 2HA GLY 90 2HA GLY 90 -15.833 -24.913 -11.679 667 H GLU 91 H GLU 91 -14.454 -23.931 -10.291 668 HA GLU 91 HA GLU 91 -15.385 -21.767 -8.532 669 1HB GLU 91 1HB GLU 91 -15.569 -23.927 -7.204 670 2HB GLU 91 2HB GLU 91 -13.824 -24.125 -7.383 671 1HG GLU 91 1HG GLU 91 -13.473 -21.969 -6.177 672 2HG GLU 91 2HG GLU 91 -15.221 -21.763 -6.039 673 H ASP 92 H ASP 92 -13.742 -20.351 -7.899 674 HA ASP 92 HA ASP 92 -10.946 -20.808 -8.611 675 1HB ASP 92 1HB ASP 92 -12.044 -19.809 -10.668 676 2HB ASP 92 2HB ASP 92 -12.438 -18.389 -9.697 677 H ARG 93 H ARG 93 -9.551 -19.116 -7.567 678 HA ARG 93 HA ARG 93 -10.783 -17.639 -5.307 679 1HB ARG 93 1HB ARG 93 -8.544 -19.698 -5.005 680 2HB ARG 93 2HB ARG 93 -9.227 -18.703 -3.719 681 1HG ARG 93 1HG ARG 93 -11.438 -19.847 -4.038 682 2HG ARG 93 2HG ARG 93 -10.663 -20.928 -5.217 683 1HD ARG 93 1HD ARG 93 -9.032 -21.624 -3.459 684 2HD ARG 93 2HD ARG 93 -9.918 -20.626 -2.287 685 HE ARG 93 HE ARG 93 -11.709 -22.472 -3.629 686 1HH1 ARG 93 1HH1 ARG 93 -9.287 -22.517 -1.077 687 2HH1 ARG 93 2HH1 ARG 93 -10.001 -23.931 -0.347 688 1HH2 ARG 93 1HH2 ARG 93 -12.508 -24.147 -2.727 689 2HH2 ARG 93 2HH2 ARG 93 -11.825 -24.873 -1.267 690 H SER 94 H SER 94 -8.788 -16.832 -4.054 691 HA SER 94 HA SER 94 -7.287 -15.197 -3.731 692 1HB SER 94 1HB SER 94 -5.874 -16.347 -6.142 693 2HB SER 94 2HB SER 94 -5.170 -15.337 -4.863 694 HG SER 94 HG SER 94 -4.832 -17.601 -4.513 695 H LYS 95 H LYS 95 -8.583 -15.013 -7.009 696 HA LYS 95 HA LYS 95 -7.663 -12.238 -7.435 697 1HB LYS 95 1HB LYS 95 -9.504 -14.113 -8.943 698 2HB LYS 95 2HB LYS 95 -9.198 -12.450 -9.460 699 1HG LYS 95 1HG LYS 95 -7.074 -12.872 -10.184 700 2HG LYS 95 2HG LYS 95 -6.709 -13.971 -8.858 701 1HD LYS 95 1HD LYS 95 -6.659 -15.234 -10.874 702 2HD LYS 95 2HD LYS 95 -8.053 -15.740 -9.907 703 1HE LYS 95 1HE LYS 95 -9.503 -14.228 -11.340 704 2HE LYS 95 2HE LYS 95 -8.086 -13.894 -12.345 705 1HZ LYS 95 1HZ LYS 95 -9.339 -16.554 -11.896 706 2HZ LYS 95 2HZ LYS 95 -9.402 -15.685 -13.291 707 3HZ LYS 95 3HZ LYS 95 -7.975 -16.320 -12.788 708 H CYS 96 H CYS 96 -10.491 -13.823 -6.128 709 HA CYS 96 HA CYS 96 -11.620 -11.274 -5.245 710 1HB CYS 96 1HB CYS 96 -13.844 -11.745 -6.259 711 2HB CYS 96 2HB CYS 96 -12.588 -11.544 -7.487 712 HG CYS 96 HG CYS 96 -13.719 -14.416 -6.225 713 H CYS 97 H CYS 97 -13.582 -11.572 -3.960 714 HA CYS 97 HA CYS 97 -13.701 -14.067 -2.328 715 1HB CYS 97 1HB CYS 97 -12.244 -12.492 -1.193 716 2HB CYS 97 2HB CYS 97 -13.445 -11.208 -1.344 717 HA PRO 98 HA PRO 98 -17.701 -12.668 -4.092 718 1HB PRO 98 1HB PRO 98 -18.995 -15.091 -4.262 719 2HB PRO 98 2HB PRO 98 -17.754 -14.525 -5.420 720 1HG PRO 98 1HG PRO 98 -17.372 -16.352 -3.028 721 2HG PRO 98 2HG PRO 98 -16.792 -16.591 -4.708 722 1HD PRO 98 1HD PRO 98 -15.183 -15.580 -2.772 723 2HD PRO 98 2HD PRO 98 -15.095 -14.964 -4.450 724 H VAL 99 H VAL 99 -17.493 -14.580 -1.042 725 HA VAL 99 HA VAL 99 -20.255 -14.047 -0.317 726 HB VAL 99 HB VAL 99 -17.918 -14.717 1.509 727 1HG1 VAL 99 1HG1 VAL 99 -20.925 -14.477 1.989 728 2HG1 VAL 99 2HG1 VAL 99 -19.865 -15.423 3.048 729 3HG1 VAL 99 3HG1 VAL 99 -19.603 -13.685 2.879 730 1HG2 VAL 99 1HG2 VAL 99 -18.453 -16.516 -0.119 731 2HG2 VAL 99 2HG2 VAL 99 -18.942 -16.972 1.516 732 3HG2 VAL 99 3HG2 VAL 99 -20.167 -16.432 0.349 733 H CYS 100 H CYS 100 -17.185 -12.411 0.508 734 HA CYS 100 HA CYS 100 -18.490 -10.147 1.816 735 1HB CYS 100 1HB CYS 100 -15.663 -10.617 0.815 736 2HB CYS 100 2HB CYS 100 -16.182 -9.266 1.794 737 H ASN 101 H ASN 101 -18.060 -11.047 -1.339 738 HA ASN 101 HA ASN 101 -18.201 -10.240 -3.397 739 1HB ASN 101 1HB ASN 101 -20.486 -9.867 -2.507 740 2HB ASN 101 2HB ASN 101 -20.049 -8.199 -2.124 741 1HD2 ASN 101 1HD2 ASN 101 -21.772 -7.484 -3.561 742 2HD2 ASN 101 2HD2 ASN 101 -21.530 -7.548 -5.301 743 H MET 102 H MET 102 -15.876 -9.723 -3.020 744 HA MET 102 HA MET 102 -15.350 -7.049 -4.169 745 1HB MET 102 1HB MET 102 -13.589 -6.505 -2.561 746 2HB MET 102 2HB MET 102 -15.163 -6.632 -1.785 747 1HG MET 102 1HG MET 102 -14.585 -8.897 -0.958 748 2HG MET 102 2HG MET 102 -12.994 -8.769 -1.727 749 1HE MET 102 1HE MET 102 -13.603 -9.413 1.441 750 2HE MET 102 2HE MET 102 -12.007 -9.452 0.667 751 3HE MET 102 3HE MET 102 -12.250 -8.502 2.144 752 H THR 103 H THR 103 -12.997 -6.787 -4.761 753 HA THR 103 HA THR 103 -11.781 -9.321 -5.778 754 HB THR 103 HB THR 103 -11.167 -8.223 -7.825 755 HG1 THR 103 HG1 THR 103 -12.827 -6.061 -7.081 756 1HG2 THR 103 1HG2 THR 103 -13.341 -9.381 -7.847 757 2HG2 THR 103 2HG2 THR 103 -14.161 -7.879 -7.374 758 3HG2 THR 103 3HG2 THR 103 -13.315 -7.978 -8.931 759 H PHE 104 H PHE 104 -9.454 -9.109 -6.342 760 HA PHE 104 HA PHE 104 -8.046 -7.098 -4.615 761 1HB PHE 104 1HB PHE 104 -7.232 -10.001 -4.916 762 2HB PHE 104 2HB PHE 104 -6.577 -8.801 -3.831 763 HD1 PHE 104 HD1 PHE 104 -8.227 -7.833 -1.998 764 HD2 PHE 104 HD2 PHE 104 -8.882 -11.490 -4.173 765 HE1 PHE 104 HE1 PHE 104 -9.655 -8.680 -0.148 766 HE2 PHE 104 HE2 PHE 104 -10.295 -12.343 -2.326 767 HZ PHE 104 HZ PHE 104 -10.665 -10.950 -0.298 768 H SER 105 H SER 105 -6.063 -6.350 -5.276 769 HA SER 105 HA SER 105 -5.394 -6.524 -8.106 770 1HB SER 105 1HB SER 105 -3.535 -4.974 -7.379 771 2HB SER 105 2HB SER 105 -5.179 -4.409 -7.042 772 HG SER 105 HG SER 105 -3.634 -4.211 -5.255 773 H SER 106 H SER 106 -4.300 -8.141 -5.225 774 HA SER 106 HA SER 106 -2.351 -9.753 -6.767 775 1HB SER 106 1HB SER 106 -1.724 -8.247 -4.190 776 2HB SER 106 2HB SER 106 -0.733 -9.572 -4.824 777 HG SER 106 HG SER 106 0.044 -7.499 -5.459 778 HA PRO 107 HA PRO 107 -4.331 -12.969 -4.456 779 1HB PRO 107 1HB PRO 107 -2.412 -14.942 -4.337 780 2HB PRO 107 2HB PRO 107 -3.293 -14.491 -5.828 781 1HG PRO 107 1HG PRO 107 -0.554 -13.546 -4.946 782 2HG PRO 107 2HG PRO 107 -1.045 -14.195 -6.545 783 1HD PRO 107 1HD PRO 107 -0.887 -11.531 -6.107 784 2HD PRO 107 2HD PRO 107 -2.217 -12.210 -7.094 785 H VAL 108 H VAL 108 -1.248 -11.756 -3.204 786 HA VAL 108 HA VAL 108 -1.310 -13.000 -0.635 787 HB VAL 108 HB VAL 108 -0.121 -10.284 -1.325 788 1HG1 VAL 108 1HG1 VAL 108 -0.163 -10.691 1.101 789 2HG1 VAL 108 2HG1 VAL 108 0.529 -12.312 0.864 790 3HG1 VAL 108 3HG1 VAL 108 1.487 -10.857 0.503 791 1HG2 VAL 108 1HG2 VAL 108 1.105 -13.072 -1.536 792 2HG2 VAL 108 2HG2 VAL 108 0.780 -11.962 -2.886 793 3HG2 VAL 108 3HG2 VAL 108 2.002 -11.545 -1.690 794 H VAL 109 H VAL 109 -3.005 -10.134 -1.863 795 HA VAL 109 HA VAL 109 -3.886 -9.095 0.679 796 HB VAL 109 HB VAL 109 -5.312 -8.865 -2.000 797 1HG1 VAL 109 1HG1 VAL 109 -5.292 -7.049 0.450 798 2HG1 VAL 109 2HG1 VAL 109 -6.144 -6.729 -1.074 799 3HG1 VAL 109 3HG1 VAL 109 -6.644 -8.084 -0.052 800 1HG2 VAL 109 1HG2 VAL 109 -2.989 -8.091 -2.294 801 2HG2 VAL 109 2HG2 VAL 109 -4.088 -6.714 -2.274 802 3HG2 VAL 109 3HG2 VAL 109 -3.118 -7.091 -0.832 803 H ALA 110 H ALA 110 -5.273 -11.487 -1.600 804 HA ALA 110 HA ALA 110 -7.707 -11.958 -0.157 805 1HB ALA 110 1HB ALA 110 -6.192 -13.910 -1.947 806 2HB ALA 110 2HB ALA 110 -7.929 -13.873 -1.592 807 3HB ALA 110 3HB ALA 110 -7.191 -12.584 -2.560 808 H GLU 111 H GLU 111 -4.509 -13.655 -0.128 809 HA GLU 111 HA GLU 111 -5.194 -15.598 1.860 810 1HB GLU 111 1HB GLU 111 -2.498 -14.324 1.216 811 2HB GLU 111 2HB GLU 111 -2.735 -15.706 2.291 812 1HG GLU 111 1HG GLU 111 -3.791 -16.963 0.397 813 2HG GLU 111 2HG GLU 111 -3.396 -15.622 -0.679 814 H SER 112 H SER 112 -3.843 -12.291 2.244 815 HA SER 112 HA SER 112 -3.539 -12.314 5.069 816 1HB SER 112 1HB SER 112 -2.624 -10.619 3.447 817 2HB SER 112 2HB SER 112 -4.254 -9.938 3.310 818 HG SER 112 HG SER 112 -2.571 -10.082 5.610 819 H HIS 113 H HIS 113 -6.399 -11.565 3.056 820 HA HIS 113 HA HIS 113 -8.106 -10.753 5.252 821 1HB HIS 113 1HB HIS 113 -8.492 -10.037 2.952 822 2HB HIS 113 2HB HIS 113 -8.668 -11.703 2.413 823 HD1 HIS 113 HD1 HIS 113 -10.540 -9.371 4.924 824 HD2 HIS 113 HD2 HIS 113 -11.098 -12.528 2.196 825 HE1 HIS 113 HE1 HIS 113 -13.052 -9.825 4.847 826 H TYR 114 H TYR 114 -7.621 -13.883 3.526 827 HA TYR 114 HA TYR 114 -9.684 -15.264 4.985 828 1HB TYR 114 1HB TYR 114 -7.349 -16.340 3.374 829 2HB TYR 114 2HB TYR 114 -8.719 -17.289 3.930 830 HD1 TYR 114 HD1 TYR 114 -7.586 -16.679 1.024 831 HD2 TYR 114 HD2 TYR 114 -10.985 -15.282 3.300 832 HE1 TYR 114 HE1 TYR 114 -8.819 -16.207 -1.085 833 HE2 TYR 114 HE2 TYR 114 -12.186 -14.800 1.200 834 HH TYR 114 HH TYR 114 -10.782 -15.393 -2.028 835 H ILE 115 H ILE 115 -6.237 -14.843 5.811 836 HA ILE 115 HA ILE 115 -6.298 -17.055 7.704 837 HB ILE 115 HB ILE 115 -4.107 -16.276 8.487 838 1HG1 ILE 115 1HG1 ILE 115 -2.851 -14.605 7.122 839 2HG1 ILE 115 2HG1 ILE 115 -4.370 -14.044 6.441 840 1HG2 ILE 115 1HG2 ILE 115 -4.361 -17.879 6.674 841 2HG2 ILE 115 2HG2 ILE 115 -4.378 -16.571 5.479 842 3HG2 ILE 115 3HG2 ILE 115 -2.924 -16.875 6.446 843 1HD1 ILE 115 1HD1 ILE 115 -3.470 -12.627 8.288 844 2HD1 ILE 115 2HD1 ILE 115 -5.101 -13.218 8.612 845 3HD1 ILE 115 3HD1 ILE 115 -3.701 -13.983 9.410 846 H GLY 116 H GLY 116 -7.967 -14.259 8.003 847 1HA GLY 116 1HA GLY 116 -7.780 -14.276 11.001 848 2HA GLY 116 2HA GLY 116 -7.984 -12.803 10.065 849 H LYS 117 H LYS 117 -9.660 -13.692 12.140 850 HA LYS 117 HA LYS 117 -12.061 -15.001 11.291 851 1HB LYS 117 1HB LYS 117 -11.518 -13.089 13.600 852 2HB LYS 117 2HB LYS 117 -13.033 -13.977 13.377 853 1HG LYS 117 1HG LYS 117 -11.797 -16.129 13.408 854 2HG LYS 117 2HG LYS 117 -10.289 -15.270 13.728 855 1HD LYS 117 1HD LYS 117 -12.746 -15.232 15.538 856 2HD LYS 117 2HD LYS 117 -11.330 -16.272 15.752 857 1HE LYS 117 1HE LYS 117 -9.880 -14.245 15.944 858 2HE LYS 117 2HE LYS 117 -11.316 -13.220 15.818 859 1HZ LYS 117 1HZ LYS 117 -10.823 -15.209 17.971 860 2HZ LYS 117 2HZ LYS 117 -10.696 -13.591 18.135 861 3HZ LYS 117 3HZ LYS 117 -12.155 -14.270 17.858 862 H THR 118 H THR 118 -11.080 -11.765 10.540 863 HA THR 118 HA THR 118 -13.521 -10.389 10.349 864 HB THR 118 HB THR 118 -11.147 -10.278 8.447 865 HG1 THR 118 HG1 THR 118 -11.043 -8.299 10.034 866 1HG2 THR 118 1HG2 THR 118 -11.838 -7.943 8.070 867 2HG2 THR 118 2HG2 THR 118 -13.081 -9.060 7.511 868 3HG2 THR 118 3HG2 THR 118 -13.303 -8.215 9.059 869 H HIS 119 H HIS 119 -12.102 -12.664 7.942 870 HA HIS 119 HA HIS 119 -14.218 -12.406 5.990 871 1HB HIS 119 1HB HIS 119 -12.016 -13.346 5.470 872 2HB HIS 119 2HB HIS 119 -12.276 -14.671 6.600 873 HD2 HIS 119 HD2 HIS 119 -13.189 -16.839 5.561 874 HE1 HIS 119 HE1 HIS 119 -14.805 -15.300 1.928 875 HE2 HIS 119 HE2 HIS 119 -14.312 -17.419 3.251 876 H ILE 120 H ILE 120 -13.693 -14.698 8.682 877 HA ILE 120 HA ILE 120 -16.058 -16.254 8.297 878 HB ILE 120 HB ILE 120 -14.254 -15.888 10.700 879 1HG1 ILE 120 1HG1 ILE 120 -14.487 -17.976 8.468 880 2HG1 ILE 120 2HG1 ILE 120 -13.192 -16.805 8.668 881 1HG2 ILE 120 1HG2 ILE 120 -16.467 -16.679 11.478 882 2HG2 ILE 120 2HG2 ILE 120 -16.425 -17.987 10.271 883 3HG2 ILE 120 3HG2 ILE 120 -15.256 -17.935 11.614 884 1HD1 ILE 120 1HD1 ILE 120 -13.724 -19.180 10.478 885 2HD1 ILE 120 2HD1 ILE 120 -12.347 -18.901 9.403 886 3HD1 ILE 120 3HD1 ILE 120 -12.555 -17.882 10.841 887 H LYS 121 H LYS 121 -15.564 -13.275 10.203 888 HA LYS 121 HA LYS 121 -18.191 -13.236 11.420 889 1HB LYS 121 1HB LYS 121 -16.204 -11.036 10.706 890 2HB LYS 121 2HB LYS 121 -17.754 -10.711 11.496 891 1HG LYS 121 1HG LYS 121 -17.180 -12.160 13.372 892 2HG LYS 121 2HG LYS 121 -15.637 -12.601 12.617 893 1HD LYS 121 1HD LYS 121 -14.908 -10.257 12.695 894 2HD LYS 121 2HD LYS 121 -16.432 -9.788 13.471 895 1HE LYS 121 1HE LYS 121 -14.420 -11.783 14.619 896 2HE LYS 121 2HE LYS 121 -14.458 -10.069 15.035 897 1HZ LYS 121 1HZ LYS 121 -16.667 -11.989 15.555 898 2HZ LYS 121 2HZ LYS 121 -15.669 -11.354 16.674 899 3HZ LYS 121 3HZ LYS 121 -16.725 -10.390 15.894 900 H ASN 122 H ASN 122 -17.022 -12.189 8.232 901 HA ASN 122 HA ASN 122 -19.614 -11.127 7.401 902 1HB ASN 122 1HB ASN 122 -17.072 -11.827 5.881 903 2HB ASN 122 2HB ASN 122 -18.560 -11.352 5.081 904 1HD2 ASN 122 1HD2 ASN 122 -16.038 -10.164 7.352 905 2HD2 ASN 122 2HD2 ASN 122 -16.436 -8.470 7.086 906 H LEU 123 H LEU 123 -17.984 -14.350 7.062 907 HA LEU 123 HA LEU 123 -19.992 -15.613 5.479 908 1HB LEU 123 1HB LEU 123 -18.478 -16.930 7.775 909 2HB LEU 123 2HB LEU 123 -19.326 -17.729 6.475 910 HG LEU 123 HG LEU 123 -16.736 -16.175 6.237 911 1HD1 LEU 123 1HD1 LEU 123 -16.623 -18.432 7.281 912 2HD1 LEU 123 2HD1 LEU 123 -17.381 -19.114 5.828 913 3HD1 LEU 123 3HD1 LEU 123 -15.781 -18.346 5.726 914 1HD2 LEU 123 1HD2 LEU 123 -16.689 -17.073 3.920 915 2HD2 LEU 123 2HD2 LEU 123 -18.405 -17.502 4.089 916 3HD2 LEU 123 3HD2 LEU 123 -17.877 -15.795 4.187 917 H ARG 124 H ARG 124 -19.800 -15.276 9.056 918 HA ARG 124 HA ARG 124 -22.153 -16.659 9.750 919 1HB ARG 124 1HB ARG 124 -20.182 -15.863 11.184 920 2HB ARG 124 2HB ARG 124 -20.921 -14.254 11.182 921 1HG ARG 124 1HG ARG 124 -22.977 -15.241 12.190 922 2HG ARG 124 2HG ARG 124 -22.185 -16.833 12.171 923 1HD ARG 124 1HD ARG 124 -20.388 -15.921 13.665 924 2HD ARG 124 2HD ARG 124 -21.212 -14.363 13.677 925 HE ARG 124 HE ARG 124 -22.852 -15.183 15.114 926 1HH1 ARG 124 1HH1 ARG 124 -20.832 -17.897 14.178 927 2HH1 ARG 124 2HH1 ARG 124 -21.492 -18.926 15.421 928 1HH2 ARG 124 1HH2 ARG 124 -23.643 -16.551 16.666 929 2HH2 ARG 124 2HH2 ARG 124 -23.040 -18.179 16.786 930 H LEU 125 H LEU 125 -21.722 -13.197 9.004 931 HA LEU 125 HA LEU 125 -24.468 -12.443 9.460 932 1HB LEU 125 1HB LEU 125 -22.538 -10.896 9.548 933 2HB LEU 125 2HB LEU 125 -22.226 -11.163 7.835 934 HG LEU 125 HG LEU 125 -24.393 -10.094 7.258 935 1HD1 LEU 125 1HD1 LEU 125 -25.709 -10.544 9.289 936 2HD1 LEU 125 2HD1 LEU 125 -24.591 -9.554 10.257 937 3HD1 LEU 125 3HD1 LEU 125 -25.609 -8.805 9.006 938 1HD2 LEU 125 1HD2 LEU 125 -22.628 -8.423 9.092 939 2HD2 LEU 125 2HD2 LEU 125 -22.322 -8.765 7.374 940 3HD2 LEU 125 3HD2 LEU 125 -23.734 -7.805 7.843 941 H ARG 126 H ARG 126 -22.663 -13.409 6.557 942 HA ARG 126 HA ARG 126 -24.844 -12.986 4.662 943 1HB ARG 126 1HB ARG 126 -22.070 -14.253 4.576 944 2HB ARG 126 2HB ARG 126 -23.101 -14.269 3.174 945 1HG ARG 126 1HG ARG 126 -22.458 -11.662 4.612 946 2HG ARG 126 2HG ARG 126 -21.374 -12.328 3.405 947 1HD ARG 126 1HD ARG 126 -24.309 -11.729 2.847 948 2HD ARG 126 2HD ARG 126 -22.985 -10.596 2.577 949 HE ARG 126 HE ARG 126 -22.087 -11.915 0.862 950 1HH1 ARG 126 1HH1 ARG 126 -25.078 -13.465 1.967 951 2HH1 ARG 126 2HH1 ARG 126 -25.099 -14.485 0.541 952 1HH2 ARG 126 1HH2 ARG 126 -22.383 -13.165 -0.962 953 2HH2 ARG 126 2HH2 ARG 126 -23.675 -14.356 -0.963 954 H GLU 127 H GLU 127 -24.040 -15.610 6.682 955 HA GLU 127 HA GLU 127 -24.841 -17.656 7.062 956 1HB GLU 127 1HB GLU 127 -27.067 -16.597 6.650 957 2HB GLU 127 2HB GLU 127 -27.001 -17.191 4.984 958 1HG GLU 127 1HG GLU 127 -26.881 -19.518 5.801 959 2HG GLU 127 2HG GLU 127 -26.845 -18.946 7.472 960 H GLN 128 H GLN 128 -24.456 -16.958 3.601 961 HA GLN 128 HA GLN 128 -23.996 -19.639 2.693 962 1HB GLN 128 1HB GLN 128 -23.088 -16.940 1.591 963 2HB GLN 128 2HB GLN 128 -22.895 -18.486 0.753 964 1HG GLN 128 1HG GLN 128 -25.376 -18.822 0.831 965 2HG GLN 128 2HG GLN 128 -25.553 -17.224 1.559 966 1HE2 GLN 128 1HE2 GLN 128 -25.104 -18.953 -1.459 967 2HE2 GLN 128 2HE2 GLN 128 -25.041 -17.510 -2.463 Start of MODEL 15 1 1H ALA 2 1H ALA 2 -37.929 9.612 -4.176 2 HA ALA 2 HA ALA 2 -39.448 7.189 -4.964 3 1HB ALA 2 1HB ALA 2 -38.872 7.507 -7.341 4 2HB ALA 2 2HB ALA 2 -39.828 8.875 -6.754 5 3HB ALA 2 3HB ALA 2 -38.070 9.047 -6.961 6 H ASP 3 H ASP 3 -36.997 7.998 -3.248 7 HA ASP 3 HA ASP 3 -35.237 5.775 -4.057 8 1HB ASP 3 1HB ASP 3 -34.410 7.846 -5.229 9 2HB ASP 3 2HB ASP 3 -34.219 8.620 -3.655 10 H GLU 4 H GLU 4 -33.485 5.460 -2.328 11 HA GLU 4 HA GLU 4 -34.313 6.270 0.420 12 1HB GLU 4 1HB GLU 4 -35.518 4.211 -0.006 13 2HB GLU 4 2HB GLU 4 -34.074 3.424 -0.628 14 1HG GLU 4 1HG GLU 4 -34.640 2.636 1.617 15 2HG GLU 4 2HG GLU 4 -33.057 3.388 1.575 16 H PHE 5 H PHE 5 -32.610 6.983 1.490 17 HA PHE 5 HA PHE 5 -29.895 6.817 0.551 18 1HB PHE 5 1HB PHE 5 -30.892 8.692 1.840 19 2HB PHE 5 2HB PHE 5 -31.079 7.644 3.235 20 HD1 PHE 5 HD1 PHE 5 -29.212 7.193 4.722 21 HD2 PHE 5 HD2 PHE 5 -28.611 9.379 1.052 22 HE1 PHE 5 HE1 PHE 5 -26.971 7.911 5.515 23 HE2 PHE 5 HE2 PHE 5 -26.373 10.100 1.851 24 HZ PHE 5 HZ PHE 5 -25.556 9.380 4.090 25 H GLY 6 H GLY 6 -31.776 4.917 2.891 26 1HA GLY 6 1HA GLY 6 -29.531 3.450 4.028 27 2HA GLY 6 2HA GLY 6 -31.250 3.071 4.179 28 H ASN 7 H ASN 7 -30.690 3.334 0.913 29 HA ASN 7 HA ASN 7 -29.774 0.547 0.462 30 1HB ASN 7 1HB ASN 7 -32.313 0.690 0.666 31 2HB ASN 7 2HB ASN 7 -32.300 1.754 -0.740 32 1HD2 ASN 7 1HD2 ASN 7 -33.369 0.399 -2.215 33 2HD2 ASN 7 2HD2 ASN 7 -32.740 -1.176 -2.678 34 H GLY 8 H GLY 8 -28.504 3.190 0.094 35 1HA GLY 8 1HA GLY 8 -27.539 2.885 -2.661 36 2HA GLY 8 2HA GLY 8 -28.417 4.383 -2.340 37 H ASP 9 H ASP 9 -26.318 5.348 -2.953 38 HA ASP 9 HA ASP 9 -23.906 5.068 -1.488 39 1HB ASP 9 1HB ASP 9 -25.024 7.449 -3.020 40 2HB ASP 9 2HB ASP 9 -23.374 7.337 -2.417 41 H ALA 10 H ALA 10 -23.015 6.058 0.264 42 HA ALA 10 HA ALA 10 -24.445 8.137 1.794 43 1HB ALA 10 1HB ALA 10 -25.408 5.983 2.568 44 2HB ALA 10 2HB ALA 10 -23.776 5.381 2.932 45 3HB ALA 10 3HB ALA 10 -24.454 6.746 3.844 46 H LEU 11 H LEU 11 -23.106 8.541 3.908 47 HA LEU 11 HA LEU 11 -20.504 9.455 3.155 48 1HB LEU 11 1HB LEU 11 -21.985 10.673 4.677 49 2HB LEU 11 2HB LEU 11 -21.919 9.352 5.844 50 HG LEU 11 HG LEU 11 -19.502 9.768 6.213 51 1HD1 LEU 11 1HD1 LEU 11 -19.882 12.066 4.244 52 2HD1 LEU 11 2HD1 LEU 11 -18.473 11.855 5.304 53 3HD1 LEU 11 3HD1 LEU 11 -18.804 10.663 4.045 54 1HD2 LEU 11 1HD2 LEU 11 -19.737 11.925 7.361 55 2HD2 LEU 11 2HD2 LEU 11 -21.207 12.283 6.428 56 3HD2 LEU 11 3HD2 LEU 11 -21.186 10.934 7.587 57 H ASP 12 H ASP 12 -19.206 7.823 2.615 58 HA ASP 12 HA ASP 12 -18.663 5.466 4.201 59 1HB ASP 12 1HB ASP 12 -18.591 5.611 1.706 60 2HB ASP 12 2HB ASP 12 -17.149 6.620 1.826 61 H LEU 13 H LEU 13 -18.315 7.421 5.973 62 HA LEU 13 HA LEU 13 -15.473 7.284 6.725 63 1HB LEU 13 1HB LEU 13 -15.304 9.248 5.645 64 2HB LEU 13 2HB LEU 13 -16.950 9.770 5.937 65 HG LEU 13 HG LEU 13 -14.956 9.772 8.222 66 1HD1 LEU 13 1HD1 LEU 13 -13.820 10.954 6.436 67 2HD1 LEU 13 2HD1 LEU 13 -15.295 11.868 6.032 68 3HD1 LEU 13 3HD1 LEU 13 -14.456 12.145 7.567 69 1HD2 LEU 13 1HD2 LEU 13 -17.392 10.305 8.680 70 2HD2 LEU 13 2HD2 LEU 13 -16.310 11.659 8.992 71 3HD2 LEU 13 3HD2 LEU 13 -17.282 11.626 7.506 72 HA PRO 14 HA PRO 14 -17.599 6.415 10.542 73 1HB PRO 14 1HB PRO 14 -15.522 6.333 12.306 74 2HB PRO 14 2HB PRO 14 -15.727 5.110 11.012 75 1HG PRO 14 1HG PRO 14 -13.966 7.562 10.984 76 2HG PRO 14 2HG PRO 14 -13.519 5.886 10.557 77 1HD PRO 14 1HD PRO 14 -14.224 7.728 8.644 78 2HD PRO 14 2HD PRO 14 -14.666 6.008 8.492 79 H VAL 15 H VAL 15 -18.294 7.397 12.501 80 HA VAL 15 HA VAL 15 -17.405 10.155 13.096 81 HB VAL 15 HB VAL 15 -19.214 10.188 11.374 82 1HG1 VAL 15 1HG1 VAL 15 -20.617 8.335 12.198 83 2HG1 VAL 15 2HG1 VAL 15 -21.083 9.317 13.605 84 3HG1 VAL 15 3HG1 VAL 15 -21.527 9.834 11.970 85 1HG2 VAL 15 1HG2 VAL 15 -20.396 12.062 12.229 86 2HG2 VAL 15 2HG2 VAL 15 -20.007 11.647 13.904 87 3HG2 VAL 15 3HG2 VAL 15 -18.717 12.145 12.786 88 H GLY 16 H GLY 16 -17.097 7.622 14.453 89 1HA GLY 16 1HA GLY 16 -17.397 8.469 17.135 90 2HA GLY 16 2HA GLY 16 -18.714 7.341 16.786 91 H LYS 17 H LYS 17 -16.891 6.699 18.733 92 HA LYS 17 HA LYS 17 -14.561 5.274 17.996 93 1HB LYS 17 1HB LYS 17 -16.422 4.602 20.320 94 2HB LYS 17 2HB LYS 17 -14.752 4.078 20.101 95 1HG LYS 17 1HG LYS 17 -14.238 6.668 19.993 96 2HG LYS 17 2HG LYS 17 -15.814 6.817 20.793 97 1HD LYS 17 1HD LYS 17 -15.005 5.213 22.565 98 2HD LYS 17 2HD LYS 17 -13.433 5.153 21.743 99 1HE LYS 17 1HE LYS 17 -13.262 7.662 22.069 100 2HE LYS 17 2HE LYS 17 -14.721 7.579 23.063 101 1HZ LYS 17 1HZ LYS 17 -12.684 7.441 24.410 102 2HZ LYS 17 2HZ LYS 17 -13.524 6.047 24.547 103 3HZ LYS 17 3HZ LYS 17 -12.183 6.103 23.606 104 H ASP 18 H ASP 18 -17.883 4.069 18.257 105 HA ASP 18 HA ASP 18 -17.389 1.304 17.777 106 1HB ASP 18 1HB ASP 18 -19.831 3.007 17.130 107 2HB ASP 18 2HB ASP 18 -19.789 1.246 17.069 108 H ALA 19 H ALA 19 -17.997 3.952 15.428 109 HA ALA 19 HA ALA 19 -17.988 2.226 13.106 110 1HB ALA 19 1HB ALA 19 -19.086 4.434 13.114 111 2HB ALA 19 2HB ALA 19 -17.508 5.228 13.348 112 3HB ALA 19 3HB ALA 19 -17.843 4.326 11.850 113 H VAL 20 H VAL 20 -15.457 4.236 14.712 114 HA VAL 20 HA VAL 20 -13.364 3.631 12.819 115 HB VAL 20 HB VAL 20 -13.220 4.459 15.747 116 1HG1 VAL 20 1HG1 VAL 20 -10.838 5.123 15.131 117 2HG1 VAL 20 2HG1 VAL 20 -11.114 3.387 15.263 118 3HG1 VAL 20 3HG1 VAL 20 -11.026 4.146 13.660 119 1HG2 VAL 20 1HG2 VAL 20 -12.821 5.999 13.138 120 2HG2 VAL 20 2HG2 VAL 20 -14.195 6.167 14.252 121 3HG2 VAL 20 3HG2 VAL 20 -12.585 6.656 14.770 122 H ASN 21 H ASN 21 -14.349 1.994 15.879 123 HA ASN 21 HA ASN 21 -12.350 -0.042 15.844 124 1HB ASN 21 1HB ASN 21 -13.666 0.490 17.816 125 2HB ASN 21 2HB ASN 21 -15.174 0.146 16.974 126 1HD2 ASN 21 1HD2 ASN 21 -16.042 -1.776 17.423 127 2HD2 ASN 21 2HD2 ASN 21 -15.144 -3.196 17.959 128 H SER 22 H SER 22 -15.647 0.047 14.380 129 HA SER 22 HA SER 22 -15.552 -2.603 13.280 130 1HB SER 22 1HB SER 22 -17.137 -0.134 12.452 131 2HB SER 22 2HB SER 22 -17.375 -1.752 11.773 132 HG SER 22 HG SER 22 -17.835 -0.825 14.404 133 H LEU 23 H LEU 23 -14.580 0.545 11.920 134 HA LEU 23 HA LEU 23 -13.916 -0.383 9.299 135 1HB LEU 23 1HB LEU 23 -14.323 1.987 10.066 136 2HB LEU 23 2HB LEU 23 -12.801 1.938 10.948 137 HG LEU 23 HG LEU 23 -11.583 1.660 8.781 138 1HD1 LEU 23 1HD1 LEU 23 -14.355 2.135 7.583 139 2HD1 LEU 23 2HD1 LEU 23 -12.826 2.191 6.681 140 3HD1 LEU 23 3HD1 LEU 23 -13.373 0.668 7.388 141 1HD2 LEU 23 1HD2 LEU 23 -11.977 4.002 8.044 142 2HD2 LEU 23 2HD2 LEU 23 -13.483 4.034 8.995 143 3HD2 LEU 23 3HD2 LEU 23 -11.912 3.874 9.812 144 H ILE 24 H ILE 24 -11.941 -0.090 12.273 145 HA ILE 24 HA ILE 24 -9.485 -1.079 11.118 146 HB ILE 24 HB ILE 24 -10.519 -0.951 13.975 147 1HG1 ILE 24 1HG1 ILE 24 -8.285 0.671 12.668 148 2HG1 ILE 24 2HG1 ILE 24 -9.958 1.210 12.665 149 1HG2 ILE 24 1HG2 ILE 24 -8.110 -1.384 14.647 150 2HG2 ILE 24 2HG2 ILE 24 -8.909 -2.774 13.940 151 3HG2 ILE 24 3HG2 ILE 24 -7.786 -1.818 12.952 152 1HD1 ILE 24 1HD1 ILE 24 -8.209 0.790 15.117 153 2HD1 ILE 24 2HD1 ILE 24 -8.903 2.296 14.507 154 3HD1 ILE 24 3HD1 ILE 24 -9.967 1.062 15.192 155 H ARG 25 H ARG 25 -12.141 -2.722 12.907 156 HA ARG 25 HA ARG 25 -11.081 -5.348 12.992 157 1HB ARG 25 1HB ARG 25 -13.042 -4.606 14.270 158 2HB ARG 25 2HB ARG 25 -13.957 -4.360 12.773 159 1HG ARG 25 1HG ARG 25 -13.807 -6.825 12.348 160 2HG ARG 25 2HG ARG 25 -12.996 -6.981 13.921 161 1HD ARG 25 1HD ARG 25 -15.334 -7.546 14.170 162 2HD ARG 25 2HD ARG 25 -15.019 -6.034 15.017 163 HE ARG 25 HE ARG 25 -16.274 -6.209 12.274 164 1HH1 ARG 25 1HH1 ARG 25 -16.368 -4.727 15.465 165 2HH1 ARG 25 2HH1 ARG 25 -17.529 -3.532 14.927 166 1HH2 ARG 25 1HH2 ARG 25 -17.748 -4.614 11.715 167 2HH2 ARG 25 2HH2 ARG 25 -18.278 -3.512 12.968 168 H GLU 26 H GLU 26 -13.133 -3.886 10.466 169 HA GLU 26 HA GLU 26 -13.068 -6.328 8.843 170 1HB GLU 26 1HB GLU 26 -14.370 -3.609 8.512 171 2HB GLU 26 2HB GLU 26 -14.492 -4.901 7.303 172 1HG GLU 26 1HG GLU 26 -15.503 -6.428 8.887 173 2HG GLU 26 2HG GLU 26 -15.227 -5.329 10.231 174 H ASN 27 H ASN 27 -10.856 -3.799 9.104 175 HA ASN 27 HA ASN 27 -9.606 -4.566 6.503 176 1HB ASN 27 1HB ASN 27 -9.813 -1.741 7.580 177 2HB ASN 27 2HB ASN 27 -8.978 -2.220 6.113 178 1HD2 ASN 27 1HD2 ASN 27 -12.066 -1.557 7.554 179 2HD2 ASN 27 2HD2 ASN 27 -12.992 -1.643 6.045 180 H SER 28 H SER 28 -9.059 -5.633 9.086 181 HA SER 28 HA SER 28 -6.989 -4.500 10.550 182 1HB SER 28 1HB SER 28 -6.564 -6.777 11.375 183 2HB SER 28 2HB SER 28 -8.289 -6.375 11.323 184 HG SER 28 HG SER 28 -7.861 -8.467 10.459 185 H HIS 29 H HIS 29 -6.658 -5.811 7.377 186 HA HIS 29 HA HIS 29 -3.819 -6.457 7.504 187 1HB HIS 29 1HB HIS 29 -4.067 -6.795 5.103 188 2HB HIS 29 2HB HIS 29 -5.339 -7.623 5.987 189 HD2 HIS 29 HD2 HIS 29 -5.048 -5.981 2.874 190 HE1 HIS 29 HE1 HIS 29 -8.876 -4.601 4.149 191 HE2 HIS 29 HE2 HIS 29 -7.312 -4.843 2.156 192 H ILE 30 H ILE 30 -5.622 -3.519 7.040 193 HA ILE 30 HA ILE 30 -3.125 -2.057 6.279 194 HB ILE 30 HB ILE 30 -4.488 -0.548 4.890 195 1HG1 ILE 30 1HG1 ILE 30 -6.690 -2.625 5.251 196 2HG1 ILE 30 2HG1 ILE 30 -6.709 -0.972 5.863 197 1HG2 ILE 30 1HG2 ILE 30 -4.468 -1.963 2.938 198 2HG2 ILE 30 2HG2 ILE 30 -3.106 -2.394 3.971 199 3HG2 ILE 30 3HG2 ILE 30 -4.548 -3.425 3.939 200 1HD1 ILE 30 1HD1 ILE 30 -6.649 -0.145 3.492 201 2HD1 ILE 30 2HD1 ILE 30 -6.799 -1.833 2.948 202 3HD1 ILE 30 3HD1 ILE 30 -8.092 -1.090 3.902 203 H PHE 31 H PHE 31 -5.830 -2.128 8.419 204 HA PHE 31 HA PHE 31 -4.959 0.477 9.630 205 1HB PHE 31 1HB PHE 31 -7.737 -0.740 9.665 206 2HB PHE 31 2HB PHE 31 -7.264 0.782 10.391 207 HD1 PHE 31 HD1 PHE 31 -5.651 1.783 7.809 208 HD2 PHE 31 HD2 PHE 31 -9.593 0.220 8.551 209 HE1 PHE 31 HE1 PHE 31 -6.488 2.896 5.761 210 HE2 PHE 31 HE2 PHE 31 -10.415 1.289 6.467 211 HZ PHE 31 HZ PHE 31 -8.854 2.597 5.053 212 H SER 32 H SER 32 -4.919 0.506 11.894 213 HA SER 32 HA SER 32 -5.634 -1.882 13.456 214 1HB SER 32 1HB SER 32 -3.459 -2.305 14.354 215 2HB SER 32 2HB SER 32 -3.340 -2.385 12.592 216 HG SER 32 HG SER 32 -2.564 -0.215 12.641 217 H ASP 33 H ASP 33 -5.124 -1.551 15.797 218 HA ASP 33 HA ASP 33 -6.324 0.804 16.811 219 1HB ASP 33 1HB ASP 33 -6.238 -1.469 17.854 220 2HB ASP 33 2HB ASP 33 -4.522 -1.231 18.190 221 H THR 34 H THR 34 -2.987 0.294 15.902 222 HA THR 34 HA THR 34 -2.217 2.897 17.136 223 HB THR 34 HB THR 34 0.020 1.946 17.675 224 HG1 THR 34 HG1 THR 34 0.151 0.132 16.452 225 1HG2 THR 34 1HG2 THR 34 -1.741 2.132 19.413 226 2HG2 THR 34 2HG2 THR 34 -2.244 0.464 19.058 227 3HG2 THR 34 3HG2 THR 34 -0.617 0.789 19.687 228 H GLN 35 H GLN 35 -2.548 1.541 14.138 229 HA GLN 35 HA GLN 35 -0.764 3.528 12.973 230 1HB GLN 35 1HB GLN 35 0.794 1.601 13.536 231 2HB GLN 35 2HB GLN 35 -0.176 0.563 12.498 232 1HG GLN 35 1HG GLN 35 0.457 1.976 10.531 233 2HG GLN 35 2HG GLN 35 1.367 3.036 11.614 234 1HE2 GLN 35 1HE2 GLN 35 3.520 2.673 10.999 235 2HE2 GLN 35 2HE2 GLN 35 4.228 1.067 10.936 236 H CYS 36 H CYS 36 -1.226 4.015 10.868 237 HA CYS 36 HA CYS 36 -3.332 2.423 9.408 238 1HB CYS 36 1HB CYS 36 -4.153 4.672 10.076 239 2HB CYS 36 2HB CYS 36 -2.749 5.407 9.292 240 H LYS 37 H LYS 37 -2.330 1.291 7.793 241 HA LYS 37 HA LYS 37 0.325 2.037 6.771 242 1HB LYS 37 1HB LYS 37 -1.626 -0.068 5.740 243 2HB LYS 37 2HB LYS 37 0.090 0.078 5.353 244 1HG LYS 37 1HG LYS 37 0.611 -0.316 7.810 245 2HG LYS 37 2HG LYS 37 -1.119 -0.656 8.053 246 1HD LYS 37 1HD LYS 37 -0.920 -2.355 6.153 247 2HD LYS 37 2HD LYS 37 0.832 -2.123 6.238 248 1HE LYS 37 1HE LYS 37 0.895 -2.948 8.527 249 2HE LYS 37 2HE LYS 37 -0.871 -2.931 8.635 250 1HZ LYS 37 1HZ LYS 37 -0.955 -4.650 6.932 251 2HZ LYS 37 2HZ LYS 37 0.681 -4.693 6.816 252 3HZ LYS 37 3HZ LYS 37 -0.051 -5.173 8.196 253 H VAL 38 H VAL 38 -3.000 2.376 5.560 254 HA VAL 38 HA VAL 38 -2.355 2.987 2.844 255 HB VAL 38 HB VAL 38 -4.727 4.067 4.419 256 1HG1 VAL 38 1HG1 VAL 38 -4.186 3.691 1.442 257 2HG1 VAL 38 2HG1 VAL 38 -5.805 3.949 2.113 258 3HG1 VAL 38 3HG1 VAL 38 -4.583 5.200 2.299 259 1HG2 VAL 38 1HG2 VAL 38 -4.705 1.650 4.632 260 2HG2 VAL 38 2HG2 VAL 38 -5.928 2.091 3.445 261 3HG2 VAL 38 3HG2 VAL 38 -4.363 1.450 2.896 262 H CYS 39 H CYS 39 -2.332 5.024 5.733 263 HA CYS 39 HA CYS 39 -1.432 7.396 4.176 264 1HB CYS 39 1HB CYS 39 -2.587 7.089 6.956 265 2HB CYS 39 2HB CYS 39 -2.198 8.599 6.150 266 H SER 40 H SER 40 0.030 4.853 5.453 267 HA SER 40 HA SER 40 1.741 4.295 6.820 268 1HB SER 40 1HB SER 40 3.016 6.429 5.043 269 2HB SER 40 2HB SER 40 3.892 5.144 5.897 270 HG SER 40 HG SER 40 3.453 4.601 3.709 271 H ALA 41 H ALA 41 0.456 5.500 8.570 272 HA ALA 41 HA ALA 41 2.338 7.317 10.038 273 1HB ALA 41 1HB ALA 41 -0.658 7.745 9.663 274 2HB ALA 41 2HB ALA 41 0.418 8.734 10.674 275 3HB ALA 41 3HB ALA 41 0.640 8.704 8.915 276 H VAL 42 H VAL 42 2.463 7.104 12.179 277 HA VAL 42 HA VAL 42 1.191 4.757 13.456 278 HB VAL 42 HB VAL 42 3.345 6.669 14.475 279 1HG1 VAL 42 1HG1 VAL 42 2.225 5.561 16.374 280 2HG1 VAL 42 2HG1 VAL 42 2.420 3.978 15.584 281 3HG1 VAL 42 3HG1 VAL 42 3.835 4.893 16.142 282 1HG2 VAL 42 1HG2 VAL 42 4.901 4.783 14.039 283 2HG2 VAL 42 2HG2 VAL 42 3.570 3.848 13.325 284 3HG2 VAL 42 3HG2 VAL 42 4.148 5.339 12.546 285 H LEU 43 H LEU 43 -0.011 4.873 15.311 286 HA LEU 43 HA LEU 43 -1.339 7.458 16.022 287 1HB LEU 43 1HB LEU 43 -2.625 4.734 15.562 288 2HB LEU 43 2HB LEU 43 -3.466 6.202 16.018 289 HG LEU 43 HG LEU 43 -1.930 5.882 13.390 290 1HD1 LEU 43 1HD1 LEU 43 -4.083 5.585 12.304 291 2HD1 LEU 43 2HD1 LEU 43 -3.740 4.269 13.438 292 3HD1 LEU 43 3HD1 LEU 43 -4.897 5.532 13.875 293 1HD2 LEU 43 1HD2 LEU 43 -2.277 8.235 14.148 294 2HD2 LEU 43 2HD2 LEU 43 -3.184 7.838 12.685 295 3HD2 LEU 43 3HD2 LEU 43 -4.017 7.921 14.255 296 H ILE 44 H ILE 44 0.420 7.305 17.615 297 HA ILE 44 HA ILE 44 0.824 5.363 19.531 298 HB ILE 44 HB ILE 44 1.891 7.098 20.897 299 1HG1 ILE 44 1HG1 ILE 44 0.826 9.114 18.864 300 2HG1 ILE 44 2HG1 ILE 44 0.226 8.930 20.512 301 1HG2 ILE 44 1HG2 ILE 44 3.637 7.619 19.333 302 2HG2 ILE 44 2HG2 ILE 44 2.989 6.040 18.898 303 3HG2 ILE 44 3HG2 ILE 44 2.544 7.475 17.946 304 1HD1 ILE 44 1HD1 ILE 44 2.499 9.497 21.386 305 2HD1 ILE 44 2HD1 ILE 44 3.022 9.823 19.714 306 3HD1 ILE 44 3HD1 ILE 44 1.739 10.798 20.446 307 H SER 45 H SER 45 -1.988 7.373 19.553 308 HA SER 45 HA SER 45 -2.870 6.159 22.105 309 1HB SER 45 1HB SER 45 -3.024 9.165 21.611 310 2HB SER 45 2HB SER 45 -3.650 8.295 23.014 311 HG SER 45 HG SER 45 -1.453 7.689 23.487 312 H GLU 46 H GLU 46 -5.195 6.286 22.410 313 HA GLU 46 HA GLU 46 -6.708 5.770 20.068 314 1HB GLU 46 1HB GLU 46 -7.302 4.925 22.259 315 2HB GLU 46 2HB GLU 46 -7.665 6.557 22.847 316 1HG GLU 46 1HG GLU 46 -9.568 6.768 21.445 317 2HG GLU 46 2HG GLU 46 -9.057 5.450 20.388 318 H SER 47 H SER 47 -6.283 8.918 21.770 319 HA SER 47 HA SER 47 -8.313 10.321 20.325 320 1HB SER 47 1HB SER 47 -7.068 12.341 20.916 321 2HB SER 47 2HB SER 47 -7.266 11.250 22.298 322 HG SER 47 HG SER 47 -5.134 11.921 22.277 323 H GLN 48 H GLN 48 -4.949 9.544 19.473 324 HA GLN 48 HA GLN 48 -4.897 11.154 17.048 325 1HB GLN 48 1HB GLN 48 -3.176 8.711 17.647 326 2HB GLN 48 2HB GLN 48 -2.849 10.018 16.516 327 1HG GLN 48 1HG GLN 48 -2.801 10.140 19.552 328 2HG GLN 48 2HG GLN 48 -1.449 10.291 18.436 329 1HE2 GLN 48 1HE2 GLN 48 -3.983 12.053 20.111 330 2HE2 GLN 48 2HE2 GLN 48 -3.598 13.609 19.387 331 H LYS 49 H LYS 49 -5.514 7.697 17.782 332 HA LYS 49 HA LYS 49 -5.963 6.889 15.069 333 1HB LYS 49 1HB LYS 49 -6.032 4.866 16.023 334 2HB LYS 49 2HB LYS 49 -5.823 5.644 17.580 335 1HG LYS 49 1HG LYS 49 -8.328 5.740 17.810 336 2HG LYS 49 2HG LYS 49 -8.453 4.809 16.308 337 1HD LYS 49 1HD LYS 49 -7.214 2.945 17.407 338 2HD LYS 49 2HD LYS 49 -7.076 3.918 18.886 339 1HE LYS 49 1HE LYS 49 -9.660 4.161 18.725 340 2HE LYS 49 2HE LYS 49 -9.574 2.824 17.555 341 1HZ LYS 49 1HZ LYS 49 -9.028 2.781 20.459 342 2HZ LYS 49 2HZ LYS 49 -9.924 1.761 19.581 343 3HZ LYS 49 3HZ LYS 49 -8.291 1.662 19.487 344 H LEU 50 H LEU 50 -8.260 7.979 17.531 345 HA LEU 50 HA LEU 50 -10.591 7.807 15.869 346 1HB LEU 50 1HB LEU 50 -9.944 9.470 18.348 347 2HB LEU 50 2HB LEU 50 -11.529 9.466 17.577 348 HG LEU 50 HG LEU 50 -10.171 7.020 18.786 349 1HD1 LEU 50 1HD1 LEU 50 -11.011 8.685 20.432 350 2HD1 LEU 50 2HD1 LEU 50 -12.625 8.574 19.679 351 3HD1 LEU 50 3HD1 LEU 50 -11.902 7.151 20.468 352 1HD2 LEU 50 1HD2 LEU 50 -11.591 6.255 16.982 353 2HD2 LEU 50 2HD2 LEU 50 -12.369 5.916 18.518 354 3HD2 LEU 50 3HD2 LEU 50 -12.927 7.293 17.535 355 H ALA 51 H ALA 51 -8.330 10.587 16.380 356 HA ALA 51 HA ALA 51 -9.885 12.294 14.641 357 1HB ALA 51 1HB ALA 51 -6.947 12.437 15.492 358 2HB ALA 51 2HB ALA 51 -7.880 13.755 14.749 359 3HB ALA 51 3HB ALA 51 -8.319 13.161 16.362 360 H HIS 52 H HIS 52 -7.066 10.143 14.010 361 HA HIS 52 HA HIS 52 -6.705 10.994 11.298 362 1HB HIS 52 1HB HIS 52 -5.033 9.791 12.706 363 2HB HIS 52 2HB HIS 52 -5.996 8.319 12.568 364 HD1 HIS 52 HD1 HIS 52 -3.326 10.236 10.779 365 HD2 HIS 52 HD2 HIS 52 -6.295 7.390 9.870 366 HE1 HIS 52 HE1 HIS 52 -2.734 9.272 8.479 367 H TYR 53 H TYR 53 -8.469 8.092 12.621 368 HA TYR 53 HA TYR 53 -9.309 7.260 10.001 369 1HB TYR 53 1HB TYR 53 -10.310 6.516 12.764 370 2HB TYR 53 2HB TYR 53 -10.879 5.762 11.279 371 HD1 TYR 53 HD1 TYR 53 -8.737 5.139 13.916 372 HD2 TYR 53 HD2 TYR 53 -8.780 5.086 9.619 373 HE1 TYR 53 HE1 TYR 53 -6.823 3.555 13.921 374 HE2 TYR 53 HE2 TYR 53 -6.850 3.509 9.619 375 HH TYR 53 HH TYR 53 -5.413 2.322 12.678 376 H GLN 54 H GLN 54 -10.856 9.510 12.297 377 HA GLN 54 HA GLN 54 -13.333 9.610 10.686 378 1HB GLN 54 1HB GLN 54 -12.388 11.282 13.039 379 2HB GLN 54 2HB GLN 54 -13.970 11.411 12.272 380 1HG GLN 54 1HG GLN 54 -14.527 9.095 12.880 381 2HG GLN 54 2HG GLN 54 -12.946 8.883 13.625 382 1HE2 GLN 54 1HE2 GLN 54 -12.403 10.444 15.413 383 2HE2 GLN 54 2HE2 GLN 54 -13.728 10.935 16.488 384 H SER 55 H SER 55 -10.248 11.025 10.288 385 HA SER 55 HA SER 55 -11.013 13.639 9.378 386 1HB SER 55 1HB SER 55 -8.721 13.127 10.025 387 2HB SER 55 2HB SER 55 -8.572 11.961 8.692 388 HG SER 55 HG SER 55 -7.767 14.195 8.339 389 H ARG 56 H ARG 56 -11.627 14.420 7.446 390 HA ARG 56 HA ARG 56 -12.622 12.704 5.345 391 1HB ARG 56 1HB ARG 56 -13.506 14.978 5.883 392 2HB ARG 56 2HB ARG 56 -12.006 15.686 5.281 393 1HG ARG 56 1HG ARG 56 -13.762 15.853 3.614 394 2HG ARG 56 2HG ARG 56 -12.482 14.791 3.022 395 1HD ARG 56 1HD ARG 56 -13.832 12.810 3.525 396 2HD ARG 56 2HD ARG 56 -15.091 13.827 4.263 397 HE ARG 56 HE ARG 56 -14.719 14.785 1.646 398 1HH1 ARG 56 1HH1 ARG 56 -15.861 11.788 3.057 399 2HH1 ARG 56 2HH1 ARG 56 -16.867 11.423 1.681 400 1HH2 ARG 56 1HH2 ARG 56 -16.033 14.264 -0.062 401 2HH2 ARG 56 2HH2 ARG 56 -16.964 12.796 -0.030 402 H LYS 57 H LYS 57 -9.485 14.192 5.906 403 HA LYS 57 HA LYS 57 -8.409 13.824 3.228 404 1HB LYS 57 1HB LYS 57 -7.088 14.150 5.958 405 2HB LYS 57 2HB LYS 57 -6.176 13.863 4.487 406 1HG LYS 57 1HG LYS 57 -6.131 16.187 4.911 407 2HG LYS 57 2HG LYS 57 -7.092 15.910 3.459 408 1HD LYS 57 1HD LYS 57 -9.164 16.336 4.690 409 2HD LYS 57 2HD LYS 57 -8.270 16.416 6.230 410 1HE LYS 57 1HE LYS 57 -6.993 18.369 5.357 411 2HE LYS 57 2HE LYS 57 -7.904 18.287 3.844 412 1HZ LYS 57 1HZ LYS 57 -9.091 18.813 6.520 413 2HZ LYS 57 2HZ LYS 57 -8.842 19.934 5.363 414 3HZ LYS 57 3HZ LYS 57 -9.933 18.747 5.118 415 H HIS 58 H HIS 58 -8.357 11.784 6.172 416 HA HIS 58 HA HIS 58 -6.896 9.568 5.035 417 1HB HIS 58 1HB HIS 58 -7.116 9.668 7.406 418 2HB HIS 58 2HB HIS 58 -8.869 9.829 7.322 419 HD2 HIS 58 HD2 HIS 58 -10.350 7.648 6.908 420 HE1 HIS 58 HE1 HIS 58 -7.226 4.779 7.297 421 HE2 HIS 58 HE2 HIS 58 -9.747 5.095 7.138 422 H ALA 59 H ALA 59 -10.453 10.164 5.312 423 HA ALA 59 HA ALA 59 -11.259 7.802 3.964 424 1HB ALA 59 1HB ALA 59 -13.397 8.987 3.637 425 2HB ALA 59 2HB ALA 59 -12.765 9.210 5.279 426 3HB ALA 59 3HB ALA 59 -12.625 10.525 4.084 427 H ASN 60 H ASN 60 -10.439 11.024 2.576 428 HA ASN 60 HA ASN 60 -11.042 10.331 -0.136 429 1HB ASN 60 1HB ASN 60 -10.791 12.653 0.797 430 2HB ASN 60 2HB ASN 60 -9.055 12.391 0.942 431 1HD2 ASN 60 1HD2 ASN 60 -7.803 12.867 -0.893 432 2HD2 ASN 60 2HD2 ASN 60 -8.516 13.189 -2.466 433 H LYS 61 H LYS 61 -7.949 10.168 1.699 434 HA LYS 61 HA LYS 61 -6.340 9.174 -0.451 435 1HB LYS 61 1HB LYS 61 -5.834 10.098 2.034 436 2HB LYS 61 2HB LYS 61 -5.736 8.384 2.404 437 1HG LYS 61 1HG LYS 61 -4.177 9.814 0.196 438 2HG LYS 61 2HG LYS 61 -3.593 9.595 1.846 439 1HD LYS 61 1HD LYS 61 -3.710 7.141 1.578 440 2HD LYS 61 2HD LYS 61 -4.195 7.347 -0.123 441 1HE LYS 61 1HE LYS 61 -2.113 8.547 -0.606 442 2HE LYS 61 2HE LYS 61 -1.654 8.493 1.101 443 1HZ LYS 61 1HZ LYS 61 -0.540 6.741 -0.147 444 2HZ LYS 61 2HZ LYS 61 -1.553 6.079 0.956 445 3HZ LYS 61 3HZ LYS 61 -1.963 6.102 -0.635 446 H VAL 62 H VAL 62 -8.249 7.442 2.035 447 HA VAL 62 HA VAL 62 -7.616 4.776 1.150 448 HB VAL 62 HB VAL 62 -9.971 5.908 2.693 449 1HG1 VAL 62 1HG1 VAL 62 -9.308 2.978 2.146 450 2HG1 VAL 62 2HG1 VAL 62 -10.474 3.560 3.357 451 3HG1 VAL 62 3HG1 VAL 62 -10.781 3.840 1.646 452 1HG2 VAL 62 1HG2 VAL 62 -8.874 4.896 4.600 453 2HG2 VAL 62 2HG2 VAL 62 -7.636 4.147 3.573 454 3HG2 VAL 62 3HG2 VAL 62 -7.680 5.904 3.785 455 H ARG 63 H ARG 63 -10.277 7.020 0.167 456 HA ARG 63 HA ARG 63 -11.577 5.198 -1.615 457 1HB ARG 63 1HB ARG 63 -12.433 7.441 -0.809 458 2HB ARG 63 2HB ARG 63 -11.380 8.194 -2.022 459 1HG ARG 63 1HG ARG 63 -12.545 6.807 -3.799 460 2HG ARG 63 2HG ARG 63 -13.574 6.124 -2.533 461 1HD ARG 63 1HD ARG 63 -14.844 7.815 -3.562 462 2HD ARG 63 2HD ARG 63 -14.344 8.463 -2.001 463 HE ARG 63 HE ARG 63 -13.289 9.209 -4.711 464 1HH1 ARG 63 1HH1 ARG 63 -13.496 10.129 -1.321 465 2HH1 ARG 63 2HH1 ARG 63 -12.500 11.551 -1.607 466 1HH2 ARG 63 1HH2 ARG 63 -12.087 11.094 -4.922 467 2HH2 ARG 63 2HH2 ARG 63 -11.708 12.010 -3.477 468 H ARG 64 H ARG 64 -8.855 7.459 -2.227 469 HA ARG 64 HA ARG 64 -8.535 6.758 -5.033 470 1HB ARG 64 1HB ARG 64 -6.554 7.903 -3.004 471 2HB ARG 64 2HB ARG 64 -6.201 7.686 -4.709 472 1HG ARG 64 1HG ARG 64 -8.257 9.566 -3.493 473 2HG ARG 64 2HG ARG 64 -6.768 9.989 -4.328 474 1HD ARG 64 1HD ARG 64 -9.296 8.805 -5.510 475 2HD ARG 64 2HD ARG 64 -8.631 10.414 -5.795 476 HE ARG 64 HE ARG 64 -6.589 8.988 -6.738 477 1HH1 ARG 64 1HH1 ARG 64 -10.001 8.478 -7.400 478 2HH1 ARG 64 2HH1 ARG 64 -9.660 7.665 -8.917 479 1HH2 ARG 64 1HH2 ARG 64 -6.269 7.893 -8.673 480 2HH2 ARG 64 2HH2 ARG 64 -7.655 7.300 -9.567 481 H TYR 65 H TYR 65 -6.876 5.536 -2.107 482 HA TYR 65 HA TYR 65 -5.209 3.644 -3.391 483 1HB TYR 65 1HB TYR 65 -4.943 4.327 -1.075 484 2HB TYR 65 2HB TYR 65 -6.515 3.673 -0.648 485 HD1 TYR 65 HD1 TYR 65 -3.280 2.499 -2.213 486 HD2 TYR 65 HD2 TYR 65 -6.552 1.633 0.467 487 HE1 TYR 65 HE1 TYR 65 -2.198 0.348 -1.586 488 HE2 TYR 65 HE2 TYR 65 -5.464 -0.522 1.089 489 HH TYR 65 HH TYR 65 -2.335 -1.556 -0.317 490 H MET 66 H MET 66 -8.581 3.213 -2.217 491 HA MET 66 HA MET 66 -8.799 0.450 -3.062 492 1HB MET 66 1HB MET 66 -10.832 2.610 -2.349 493 2HB MET 66 2HB MET 66 -11.306 0.967 -2.798 494 1HG MET 66 1HG MET 66 -9.376 1.577 -0.533 495 2HG MET 66 2HG MET 66 -11.113 1.403 -0.310 496 1HE MET 66 1HE MET 66 -8.581 -1.820 0.740 497 2HE MET 66 2HE MET 66 -7.877 -0.336 0.063 498 3HE MET 66 3HE MET 66 -9.086 -0.233 1.369 499 H ALA 67 H ALA 67 -9.596 3.560 -4.694 500 HA ALA 67 HA ALA 67 -10.939 2.405 -6.933 501 1HB ALA 67 1HB ALA 67 -10.536 4.596 -7.989 502 2HB ALA 67 2HB ALA 67 -11.106 4.781 -6.321 503 3HB ALA 67 3HB ALA 67 -9.385 5.021 -6.707 504 H ILE 68 H ILE 68 -7.481 3.039 -6.343 505 HA ILE 68 HA ILE 68 -6.447 2.578 -8.933 506 HB ILE 68 HB ILE 68 -5.301 2.312 -6.149 507 1HG1 ILE 68 1HG1 ILE 68 -4.640 4.248 -8.417 508 2HG1 ILE 68 2HG1 ILE 68 -5.912 4.559 -7.250 509 1HG2 ILE 68 1HG2 ILE 68 -3.732 1.925 -8.733 510 2HG2 ILE 68 2HG2 ILE 68 -3.022 2.138 -7.119 511 3HG2 ILE 68 3HG2 ILE 68 -3.981 0.712 -7.454 512 1HD1 ILE 68 1HD1 ILE 68 -4.230 4.434 -5.395 513 2HD1 ILE 68 2HD1 ILE 68 -2.948 4.319 -6.626 514 3HD1 ILE 68 3HD1 ILE 68 -3.970 5.759 -6.545 515 H ASN 69 H ASN 69 -7.678 0.157 -6.671 516 HA ASN 69 HA ASN 69 -6.381 -2.101 -7.943 517 1HB ASN 69 1HB ASN 69 -8.805 -1.866 -6.116 518 2HB ASN 69 2HB ASN 69 -8.153 -3.401 -6.673 519 1HD2 ASN 69 1HD2 ASN 69 -5.733 -3.765 -6.209 520 2HD2 ASN 69 2HD2 ASN 69 -5.190 -3.181 -4.643 521 H GLN 70 H GLN 70 -8.742 -0.081 -9.247 522 HA GLN 70 HA GLN 70 -9.540 -2.108 -11.285 523 1HB GLN 70 1HB GLN 70 -11.458 -0.074 -10.060 524 2HB GLN 70 2HB GLN 70 -11.807 -1.230 -11.324 525 1HG GLN 70 1HG GLN 70 -12.844 -2.089 -9.434 526 2HG GLN 70 2HG GLN 70 -11.432 -3.111 -9.708 527 1HE2 GLN 70 1HE2 GLN 70 -11.559 0.127 -8.076 528 2HE2 GLN 70 2HE2 GLN 70 -10.996 -0.488 -6.528 529 H GLY 71 H GLY 71 -10.771 -0.789 -13.124 530 1HA GLY 71 1HA GLY 71 -8.957 1.288 -14.135 531 2HA GLY 71 2HA GLY 71 -10.382 0.633 -14.943 532 H GLU 72 H GLU 72 -9.979 3.317 -15.108 533 HA GLU 72 HA GLU 72 -12.206 4.479 -13.515 534 1HB GLU 72 1HB GLU 72 -9.465 5.771 -13.854 535 2HB GLU 72 2HB GLU 72 -10.905 6.557 -13.200 536 1HG GLU 72 1HG GLU 72 -10.982 4.723 -11.427 537 2HG GLU 72 2HG GLU 72 -9.369 4.243 -11.970 538 H ASP 73 H ASP 73 -12.758 6.714 -14.408 539 HA ASP 73 HA ASP 73 -12.479 6.949 -17.341 540 1HB ASP 73 1HB ASP 73 -14.420 5.390 -16.717 541 2HB ASP 73 2HB ASP 73 -15.203 6.796 -15.994 542 H SER 74 H SER 74 -13.877 8.918 -18.088 543 HA SER 74 HA SER 74 -13.779 11.213 -16.199 544 1HB SER 74 1HB SER 74 -12.498 12.569 -17.713 545 2HB SER 74 2HB SER 74 -11.602 11.085 -17.370 546 HG SER 74 HG SER 74 -11.513 11.446 -19.557 547 H VAL 75 H VAL 75 -14.513 13.281 -17.578 548 HA VAL 75 HA VAL 75 -17.308 12.816 -18.117 549 HB VAL 75 HB VAL 75 -17.354 15.293 -18.520 550 1HG1 VAL 75 1HG1 VAL 75 -16.862 15.933 -16.231 551 2HG1 VAL 75 2HG1 VAL 75 -17.643 14.345 -16.264 552 3HG1 VAL 75 3HG1 VAL 75 -15.892 14.468 -15.983 553 1HG2 VAL 75 1HG2 VAL 75 -15.414 16.673 -18.122 554 2HG2 VAL 75 2HG2 VAL 75 -14.382 15.262 -17.847 555 3HG2 VAL 75 3HG2 VAL 75 -15.050 15.577 -19.461 556 HA PRO 76 HA PRO 76 -17.670 12.467 -22.515 557 1HB PRO 76 1HB PRO 76 -19.516 14.853 -22.465 558 2HB PRO 76 2HB PRO 76 -19.746 13.264 -23.260 559 1HG PRO 76 1HG PRO 76 -20.988 13.795 -20.919 560 2HG PRO 76 2HG PRO 76 -20.198 12.201 -21.163 561 1HD PRO 76 1HD PRO 76 -19.140 14.620 -19.687 562 2HD PRO 76 2HD PRO 76 -19.137 12.900 -19.190 563 H ALA 77 H ALA 77 -17.126 15.758 -21.334 564 HA ALA 77 HA ALA 77 -16.183 16.960 -23.739 565 1HB ALA 77 1HB ALA 77 -16.983 18.192 -21.750 566 2HB ALA 77 2HB ALA 77 -15.566 17.634 -20.829 567 3HB ALA 77 3HB ALA 77 -15.357 18.712 -22.223 568 H LYS 78 H LYS 78 -14.666 14.516 -21.933 569 HA LYS 78 HA LYS 78 -11.967 15.138 -23.051 570 1HB LYS 78 1HB LYS 78 -12.259 15.357 -20.566 571 2HB LYS 78 2HB LYS 78 -12.678 13.656 -20.486 572 1HG LYS 78 1HG LYS 78 -10.375 14.159 -19.765 573 2HG LYS 78 2HG LYS 78 -10.402 13.018 -21.097 574 1HD LYS 78 1HD LYS 78 -9.780 14.808 -22.686 575 2HD LYS 78 2HD LYS 78 -9.855 16.010 -21.375 576 1HE LYS 78 1HE LYS 78 -8.049 14.794 -20.177 577 2HE LYS 78 2HE LYS 78 -7.994 13.589 -21.471 578 1HZ LYS 78 1HZ LYS 78 -7.324 15.363 -23.004 579 2HZ LYS 78 2HZ LYS 78 -7.376 16.478 -21.811 580 3HZ LYS 78 3HZ LYS 78 -6.274 15.278 -21.761 581 H LYS 79 H LYS 79 -14.451 13.393 -23.930 582 HA LYS 79 HA LYS 79 -13.637 10.668 -24.165 583 1HB LYS 79 1HB LYS 79 -15.921 11.562 -24.539 584 2HB LYS 79 2HB LYS 79 -15.368 12.392 -25.995 585 1HG LYS 79 1HG LYS 79 -14.928 10.241 -27.096 586 2HG LYS 79 2HG LYS 79 -15.343 9.361 -25.607 587 1HD LYS 79 1HD LYS 79 -17.648 10.178 -25.716 588 2HD LYS 79 2HD LYS 79 -17.247 11.226 -27.091 589 1HE LYS 79 1HE LYS 79 -16.700 9.229 -28.458 590 2HE LYS 79 2HE LYS 79 -17.139 8.172 -27.109 591 1HZ LYS 79 1HZ LYS 79 -18.958 8.543 -28.779 592 2HZ LYS 79 2HZ LYS 79 -19.402 8.975 -27.256 593 3HZ LYS 79 3HZ LYS 79 -19.007 10.107 -28.372 594 H PHE 80 H PHE 80 -12.651 9.511 -25.833 595 HA PHE 80 HA PHE 80 -11.236 10.926 -28.011 596 1HB PHE 80 1HB PHE 80 -9.825 10.887 -25.869 597 2HB PHE 80 2HB PHE 80 -9.771 9.140 -26.029 598 HD1 PHE 80 HD1 PHE 80 -7.875 8.249 -27.141 599 HD2 PHE 80 HD2 PHE 80 -9.154 12.269 -28.058 600 HE1 PHE 80 HE1 PHE 80 -5.908 8.542 -28.626 601 HE2 PHE 80 HE2 PHE 80 -7.189 12.550 -29.552 602 HZ PHE 80 HZ PHE 80 -5.563 10.689 -29.836 603 H LYS 81 H LYS 81 -9.873 9.127 -29.268 604 HA LYS 81 HA LYS 81 -11.141 6.483 -29.391 605 1HB LYS 81 1HB LYS 81 -11.850 6.670 -31.720 606 2HB LYS 81 2HB LYS 81 -12.723 7.807 -30.698 607 1HG LYS 81 1HG LYS 81 -11.241 9.656 -31.491 608 2HG LYS 81 2HG LYS 81 -10.377 8.501 -32.525 609 1HD LYS 81 1HD LYS 81 -12.469 8.042 -33.779 610 2HD LYS 81 2HD LYS 81 -13.354 9.126 -32.700 611 1HE LYS 81 1HE LYS 81 -12.927 10.337 -34.711 612 2HE LYS 81 2HE LYS 81 -11.921 11.031 -33.439 613 1HZ LYS 81 1HZ LYS 81 -10.972 9.114 -35.509 614 2HZ LYS 81 2HZ LYS 81 -10.690 10.718 -35.519 615 3HZ LYS 81 3HZ LYS 81 -10.028 9.791 -34.355 616 H ALA 82 H ALA 82 -10.059 4.987 -30.731 617 HA ALA 82 HA ALA 82 -7.511 5.731 -32.018 618 1HB ALA 82 1HB ALA 82 -6.941 5.311 -29.624 619 2HB ALA 82 2HB ALA 82 -7.664 3.692 -29.749 620 3HB ALA 82 3HB ALA 82 -6.222 4.107 -30.703 621 H ALA 83 H ALA 83 -6.602 3.958 -33.299 622 HA ALA 83 HA ALA 83 -8.591 2.641 -34.850 623 1HB ALA 83 1HB ALA 83 -5.563 2.341 -34.858 624 2HB ALA 83 2HB ALA 83 -6.673 1.768 -36.118 625 3HB ALA 83 3HB ALA 83 -6.526 3.503 -35.792 626 HA PRO 84 HA PRO 84 -7.258 -1.605 -33.175 627 1HB PRO 84 1HB PRO 84 -5.846 -1.967 -30.880 628 2HB PRO 84 2HB PRO 84 -5.060 -1.570 -32.436 629 1HG PRO 84 1HG PRO 84 -5.810 0.334 -30.194 630 2HG PRO 84 2HG PRO 84 -4.237 0.190 -31.041 631 1HD PRO 84 1HD PRO 84 -6.111 2.038 -31.730 632 2HD PRO 84 2HD PRO 84 -5.062 1.266 -32.955 633 H ALA 85 H ALA 85 -8.347 -3.070 -31.802 634 HA ALA 85 HA ALA 85 -10.513 -1.903 -30.172 635 1HB ALA 85 1HB ALA 85 -10.992 -3.514 -31.991 636 2HB ALA 85 2HB ALA 85 -10.016 -4.747 -31.155 637 3HB ALA 85 3HB ALA 85 -11.509 -4.132 -30.414 638 H GLU 86 H GLU 86 -7.488 -2.589 -29.325 639 HA GLU 86 HA GLU 86 -7.715 -4.370 -27.059 640 1HB GLU 86 1HB GLU 86 -5.499 -2.467 -27.919 641 2HB GLU 86 2HB GLU 86 -5.365 -3.707 -26.660 642 1HG GLU 86 1HG GLU 86 -5.905 -5.462 -28.351 643 2HG GLU 86 2HG GLU 86 -5.896 -4.228 -29.613 644 H ILE 87 H ILE 87 -9.678 -2.567 -26.640 645 HA ILE 87 HA ILE 87 -9.251 -0.256 -25.119 646 HB ILE 87 HB ILE 87 -11.496 -2.301 -25.038 647 1HG1 ILE 87 1HG1 ILE 87 -11.444 0.467 -26.325 648 2HG1 ILE 87 2HG1 ILE 87 -11.002 -0.992 -27.211 649 1HG2 ILE 87 1HG2 ILE 87 -11.551 -0.985 -22.932 650 2HG2 ILE 87 2HG2 ILE 87 -11.475 0.527 -23.867 651 3HG2 ILE 87 3HG2 ILE 87 -12.879 -0.554 -23.984 652 1HD1 ILE 87 1HD1 ILE 87 -13.267 -1.946 -26.757 653 2HD1 ILE 87 2HD1 ILE 87 -13.738 -0.388 -26.031 654 3HD1 ILE 87 3HD1 ILE 87 -13.276 -0.467 -27.736 655 H SER 88 H SER 88 -8.147 0.043 -23.364 656 HA SER 88 HA SER 88 -8.312 -1.789 -21.014 657 1HB SER 88 1HB SER 88 -5.720 -0.634 -22.126 658 2HB SER 88 2HB SER 88 -5.894 -1.658 -20.694 659 HG SER 88 HG SER 88 -6.379 -2.367 -23.408 660 H ASP 89 H ASP 89 -9.345 0.985 -21.821 661 HA ASP 89 HA ASP 89 -8.763 2.424 -19.324 662 1HB ASP 89 1HB ASP 89 -6.963 3.053 -20.999 663 2HB ASP 89 2HB ASP 89 -8.230 3.634 -22.077 664 H GLY 90 H GLY 90 -10.097 4.618 -19.491 665 1HA GLY 90 1HA GLY 90 -12.852 4.090 -19.603 666 2HA GLY 90 2HA GLY 90 -12.106 5.681 -19.531 667 H GLU 91 H GLU 91 -11.221 4.085 -22.420 668 HA GLU 91 HA GLU 91 -12.883 5.814 -24.093 669 1HB GLU 91 1HB GLU 91 -10.418 4.940 -24.434 670 2HB GLU 91 2HB GLU 91 -11.197 3.495 -25.085 671 1HG GLU 91 1HG GLU 91 -12.407 4.975 -26.733 672 2HG GLU 91 2HG GLU 91 -11.581 6.369 -26.032 673 H ASP 92 H ASP 92 -13.363 2.811 -22.593 674 HA ASP 92 HA ASP 92 -14.806 1.284 -24.465 675 1HB ASP 92 1HB ASP 92 -15.248 -0.149 -22.712 676 2HB ASP 92 2HB ASP 92 -13.749 0.624 -22.219 677 H ARG 93 H ARG 93 -15.897 4.215 -23.288 678 HA ARG 93 HA ARG 93 -18.598 3.961 -22.598 679 1HB ARG 93 1HB ARG 93 -17.357 6.099 -24.376 680 2HB ARG 93 2HB ARG 93 -18.894 6.240 -23.511 681 1HG ARG 93 1HG ARG 93 -17.735 6.099 -21.341 682 2HG ARG 93 2HG ARG 93 -16.201 5.810 -22.165 683 1HD ARG 93 1HD ARG 93 -16.655 8.080 -23.367 684 2HD ARG 93 2HD ARG 93 -17.805 8.360 -22.039 685 HE ARG 93 HE ARG 93 -15.338 7.457 -20.930 686 1HH1 ARG 93 1HH1 ARG 93 -16.516 10.410 -22.397 687 2HH1 ARG 93 2HH1 ARG 93 -15.255 11.353 -21.632 688 1HH2 ARG 93 1HH2 ARG 93 -13.871 8.594 -20.127 689 2HH2 ARG 93 2HH2 ARG 93 -13.640 10.307 -20.433 690 H SER 94 H SER 94 -17.273 4.087 -25.877 691 HA SER 94 HA SER 94 -19.698 4.007 -27.338 692 1HB SER 94 1HB SER 94 -16.932 3.135 -28.228 693 2HB SER 94 2HB SER 94 -18.281 3.654 -29.264 694 HG SER 94 HG SER 94 -16.758 5.343 -28.861 695 H LYS 95 H LYS 95 -19.380 1.710 -25.352 696 HA LYS 95 HA LYS 95 -20.240 -0.524 -27.174 697 1HB LYS 95 1HB LYS 95 -18.509 -0.618 -24.676 698 2HB LYS 95 2HB LYS 95 -19.322 -2.024 -25.310 699 1HG LYS 95 1HG LYS 95 -17.366 -0.390 -26.991 700 2HG LYS 95 2HG LYS 95 -16.870 -1.713 -25.934 701 1HD LYS 95 1HD LYS 95 -18.367 -3.275 -27.161 702 2HD LYS 95 2HD LYS 95 -18.783 -1.975 -28.301 703 1HE LYS 95 1HE LYS 95 -16.517 -1.809 -29.089 704 2HE LYS 95 2HE LYS 95 -15.903 -2.775 -27.744 705 1HZ LYS 95 1HZ LYS 95 -17.034 -4.711 -28.657 706 2HZ LYS 95 2HZ LYS 95 -17.632 -3.863 -29.917 707 3HZ LYS 95 3HZ LYS 95 -16.023 -4.093 -29.772 708 H CYS 96 H CYS 96 -21.111 1.555 -24.631 709 HA CYS 96 HA CYS 96 -23.531 -0.071 -24.070 710 1HB CYS 96 1HB CYS 96 -23.351 0.359 -21.689 711 2HB CYS 96 2HB CYS 96 -21.912 -0.486 -22.269 712 HG CYS 96 HG CYS 96 -21.209 1.252 -20.439 713 H CYS 97 H CYS 97 -25.255 1.075 -23.037 714 HA CYS 97 HA CYS 97 -25.408 4.010 -23.414 715 1HB CYS 97 1HB CYS 97 -26.013 2.929 -25.562 716 2HB CYS 97 2HB CYS 97 -27.273 2.012 -24.745 717 HA PRO 98 HA PRO 98 -27.306 2.276 -19.581 718 1HB PRO 98 1HB PRO 98 -26.773 4.349 -17.853 719 2HB PRO 98 2HB PRO 98 -25.577 3.106 -18.326 720 1HG PRO 98 1HG PRO 98 -25.937 5.881 -19.493 721 2HG PRO 98 2HG PRO 98 -24.418 5.091 -18.960 722 1HD PRO 98 1HD PRO 98 -25.180 5.135 -21.569 723 2HD PRO 98 2HD PRO 98 -24.360 3.705 -20.870 724 H VAL 99 H VAL 99 -28.003 5.484 -20.987 725 HA VAL 99 HA VAL 99 -30.385 6.005 -19.466 726 HB VAL 99 HB VAL 99 -29.916 6.968 -22.312 727 1HG1 VAL 99 1HG1 VAL 99 -31.303 8.295 -19.939 728 2HG1 VAL 99 2HG1 VAL 99 -31.262 8.868 -21.612 729 3HG1 VAL 99 3HG1 VAL 99 -32.163 7.408 -21.205 730 1HG2 VAL 99 1HG2 VAL 99 -27.867 7.526 -21.092 731 2HG2 VAL 99 2HG2 VAL 99 -28.845 8.980 -21.284 732 3HG2 VAL 99 3HG2 VAL 99 -28.818 8.141 -19.719 733 H CYS 100 H CYS 100 -29.906 4.457 -22.655 734 HA CYS 100 HA CYS 100 -32.720 3.610 -22.863 735 1HB CYS 100 1HB CYS 100 -30.253 3.032 -24.538 736 2HB CYS 100 2HB CYS 100 -31.895 2.592 -24.946 737 H ASN 101 H ASN 101 -30.000 2.503 -21.349 738 HA ASN 101 HA ASN 101 -29.208 0.724 -20.321 739 1HB ASN 101 1HB ASN 101 -31.484 1.202 -19.207 740 2HB ASN 101 2HB ASN 101 -32.050 -0.277 -19.983 741 1HD2 ASN 101 1HD2 ASN 101 -29.594 1.083 -17.772 742 2HD2 ASN 101 2HD2 ASN 101 -29.325 -0.421 -16.897 743 H MET 102 H MET 102 -28.418 0.329 -22.577 744 HA MET 102 HA MET 102 -28.586 -2.571 -23.111 745 1HB MET 102 1HB MET 102 -29.115 -2.325 -25.472 746 2HB MET 102 2HB MET 102 -30.399 -1.634 -24.490 747 1HG MET 102 1HG MET 102 -29.516 0.640 -24.903 748 2HG MET 102 2HG MET 102 -28.198 -0.042 -25.867 749 1HE MET 102 1HE MET 102 -28.715 1.574 -27.750 750 2HE MET 102 2HE MET 102 -30.263 1.697 -28.611 751 3HE MET 102 3HE MET 102 -30.124 2.284 -26.938 752 H THR 103 H THR 103 -27.110 -3.057 -25.158 753 HA THR 103 HA THR 103 -24.572 -1.502 -25.045 754 HB THR 103 HB THR 103 -23.325 -3.663 -25.068 755 HG1 THR 103 HG1 THR 103 -24.449 -5.507 -24.394 756 1HG2 THR 103 1HG2 THR 103 -25.086 -3.343 -22.602 757 2HG2 THR 103 2HG2 THR 103 -23.502 -4.142 -22.696 758 3HG2 THR 103 3HG2 THR 103 -23.624 -2.395 -22.949 759 H PHE 104 H PHE 104 -23.013 -2.156 -26.750 760 HA PHE 104 HA PHE 104 -24.349 -2.882 -29.329 761 1HB PHE 104 1HB PHE 104 -22.216 -0.742 -29.130 762 2HB PHE 104 2HB PHE 104 -23.258 -1.127 -30.476 763 HD1 PHE 104 HD1 PHE 104 -22.795 0.930 -27.562 764 HD2 PHE 104 HD2 PHE 104 -25.781 -0.586 -30.277 765 HE1 PHE 104 HE1 PHE 104 -24.285 2.810 -26.965 766 HE2 PHE 104 HE2 PHE 104 -27.286 1.295 -29.664 767 HZ PHE 104 HZ PHE 104 -26.543 2.987 -27.998 768 H SER 105 H SER 105 -23.083 -3.957 -30.847 769 HA SER 105 HA SER 105 -20.769 -5.439 -29.860 770 1HB SER 105 1HB SER 105 -20.850 -6.451 -32.138 771 2HB SER 105 2HB SER 105 -22.387 -6.549 -31.262 772 HG SER 105 HG SER 105 -22.673 -5.854 -33.438 773 H SER 106 H SER 106 -21.232 -2.561 -31.832 774 HA SER 106 HA SER 106 -18.286 -2.293 -32.222 775 1HB SER 106 1HB SER 106 -19.019 -3.152 -34.301 776 2HB SER 106 2HB SER 106 -20.492 -2.175 -34.291 777 HG SER 106 HG SER 106 -18.776 -1.417 -35.704 778 HA PRO 107 HA PRO 107 -19.067 1.851 -30.799 779 1HB PRO 107 1HB PRO 107 -16.922 3.228 -31.823 780 2HB PRO 107 2HB PRO 107 -16.798 2.067 -30.465 781 1HG PRO 107 1HG PRO 107 -16.258 1.540 -33.401 782 2HG PRO 107 2HG PRO 107 -15.223 1.133 -31.992 783 1HD PRO 107 1HD PRO 107 -16.867 -0.705 -33.094 784 2HD PRO 107 2HD PRO 107 -16.674 -0.616 -31.320 785 H VAL 108 H VAL 108 -18.778 1.186 -34.265 786 HA VAL 108 HA VAL 108 -19.655 3.780 -35.181 787 HB VAL 108 HB VAL 108 -20.086 1.098 -36.560 788 1HG1 VAL 108 1HG1 VAL 108 -19.924 3.964 -37.608 789 2HG1 VAL 108 2HG1 VAL 108 -20.020 2.506 -38.624 790 3HG1 VAL 108 3HG1 VAL 108 -21.375 2.939 -37.580 791 1HG2 VAL 108 1HG2 VAL 108 -17.686 1.354 -36.070 792 2HG2 VAL 108 2HG2 VAL 108 -17.979 1.629 -37.786 793 3HG2 VAL 108 3HG2 VAL 108 -17.712 3.016 -36.707 794 H VAL 109 H VAL 109 -21.397 0.859 -34.137 795 HA VAL 109 HA VAL 109 -24.061 1.788 -34.779 796 HB VAL 109 HB VAL 109 -23.243 -0.207 -32.622 797 1HG1 VAL 109 1HG1 VAL 109 -25.503 -1.133 -32.979 798 2HG1 VAL 109 2HG1 VAL 109 -25.602 0.551 -32.454 799 3HG1 VAL 109 3HG1 VAL 109 -25.855 0.146 -34.163 800 1HG2 VAL 109 1HG2 VAL 109 -23.686 -1.956 -34.319 801 2HG2 VAL 109 2HG2 VAL 109 -23.932 -0.702 -35.555 802 3HG2 VAL 109 3HG2 VAL 109 -22.337 -0.933 -34.813 803 H ALA 110 H ALA 110 -22.022 1.950 -31.835 804 HA ALA 110 HA ALA 110 -23.911 3.202 -30.125 805 1HB ALA 110 1HB ALA 110 -21.991 3.687 -28.741 806 2HB ALA 110 2HB ALA 110 -21.737 2.095 -29.479 807 3HB ALA 110 3HB ALA 110 -20.873 3.512 -30.102 808 H GLU 111 H GLU 111 -21.313 4.712 -32.131 809 HA GLU 111 HA GLU 111 -21.945 7.428 -31.558 810 1HB GLU 111 1HB GLU 111 -20.700 6.119 -34.012 811 2HB GLU 111 2HB GLU 111 -20.794 7.863 -33.786 812 1HG GLU 111 1HG GLU 111 -19.346 5.972 -31.883 813 2HG GLU 111 2HG GLU 111 -18.586 6.866 -33.192 814 H SER 112 H SER 112 -23.194 5.293 -34.156 815 HA SER 112 HA SER 112 -24.814 7.263 -35.466 816 1HB SER 112 1HB SER 112 -24.119 5.082 -36.435 817 2HB SER 112 2HB SER 112 -25.198 4.246 -35.301 818 HG SER 112 HG SER 112 -26.149 4.628 -37.386 819 H HIS 113 H HIS 113 -25.527 4.999 -32.763 820 HA HIS 113 HA HIS 113 -28.322 5.624 -32.585 821 1HB HIS 113 1HB HIS 113 -27.393 3.571 -31.665 822 2HB HIS 113 2HB HIS 113 -26.369 4.481 -30.552 823 HD1 HIS 113 HD1 HIS 113 -30.155 3.855 -31.152 824 HD2 HIS 113 HD2 HIS 113 -27.428 5.244 -28.261 825 HE1 HIS 113 HE1 HIS 113 -31.497 4.237 -29.012 826 H TYR 114 H TYR 114 -25.504 6.919 -30.700 827 HA TYR 114 HA TYR 114 -26.957 8.500 -28.904 828 1HB TYR 114 1HB TYR 114 -24.274 9.187 -30.129 829 2HB TYR 114 2HB TYR 114 -24.918 9.825 -28.626 830 HD1 TYR 114 HD1 TYR 114 -25.952 7.196 -27.371 831 HD2 TYR 114 HD2 TYR 114 -22.266 8.260 -29.358 832 HE1 TYR 114 HE1 TYR 114 -24.747 5.433 -26.094 833 HE2 TYR 114 HE2 TYR 114 -21.075 6.486 -28.091 834 HH TYR 114 HH TYR 114 -22.689 4.403 -25.680 835 H ILE 115 H ILE 115 -26.231 9.324 -32.275 836 HA ILE 115 HA ILE 115 -27.226 12.087 -31.886 837 HB ILE 115 HB ILE 115 -26.513 12.519 -34.166 838 1HG1 ILE 115 1HG1 ILE 115 -24.949 10.886 -35.293 839 2HG1 ILE 115 2HG1 ILE 115 -25.584 9.617 -34.257 840 1HG2 ILE 115 1HG2 ILE 115 -25.005 12.790 -32.215 841 2HG2 ILE 115 2HG2 ILE 115 -24.339 11.170 -32.520 842 3HG2 ILE 115 3HG2 ILE 115 -24.137 12.460 -33.720 843 1HD1 ILE 115 1HD1 ILE 115 -26.560 9.684 -36.558 844 2HD1 ILE 115 2HD1 ILE 115 -27.792 9.828 -35.304 845 3HD1 ILE 115 3HD1 ILE 115 -27.257 11.275 -36.197 846 H GLY 116 H GLY 116 -28.794 9.220 -32.351 847 1HA GLY 116 1HA GLY 116 -30.811 10.207 -34.286 848 2HA GLY 116 2HA GLY 116 -30.710 8.598 -33.583 849 H LYS 117 H LYS 117 -33.051 10.307 -33.815 850 HA LYS 117 HA LYS 117 -33.714 11.545 -31.329 851 1HB LYS 117 1HB LYS 117 -35.509 10.466 -33.532 852 2HB LYS 117 2HB LYS 117 -36.091 11.365 -32.120 853 1HG LYS 117 1HG LYS 117 -34.473 13.228 -32.724 854 2HG LYS 117 2HG LYS 117 -34.176 12.398 -34.256 855 1HD LYS 117 1HD LYS 117 -36.875 13.410 -33.253 856 2HD LYS 117 2HD LYS 117 -35.839 14.229 -34.429 857 1HE LYS 117 1HE LYS 117 -36.022 12.263 -35.958 858 2HE LYS 117 2HE LYS 117 -37.103 11.473 -34.803 859 1HZ LYS 117 1HZ LYS 117 -38.351 12.620 -36.541 860 2HZ LYS 117 2HZ LYS 117 -38.665 13.321 -35.102 861 3HZ LYS 117 3HZ LYS 117 -37.666 14.052 -36.169 862 H THR 118 H THR 118 -33.803 8.132 -32.130 863 HA THR 118 HA THR 118 -35.588 7.223 -30.101 864 HB THR 118 HB THR 118 -33.064 5.805 -31.042 865 HG1 THR 118 HG1 THR 118 -34.402 4.968 -32.661 866 1HG2 THR 118 1HG2 THR 118 -35.760 4.752 -30.058 867 2HG2 THR 118 2HG2 THR 118 -34.422 3.757 -30.677 868 3HG2 THR 118 3HG2 THR 118 -34.221 4.662 -29.173 869 H HIS 119 H HIS 119 -32.109 8.052 -29.947 870 HA HIS 119 HA HIS 119 -31.744 7.297 -27.164 871 1HB HIS 119 1HB HIS 119 -29.928 7.504 -28.873 872 2HB HIS 119 2HB HIS 119 -30.165 9.250 -28.896 873 HD2 HIS 119 HD2 HIS 119 -28.667 10.566 -27.237 874 HE1 HIS 119 HE1 HIS 119 -27.619 7.413 -24.562 875 HE2 HIS 119 HE2 HIS 119 -27.227 9.862 -25.142 876 H ILE 120 H ILE 120 -32.367 10.383 -28.860 877 HA ILE 120 HA ILE 120 -32.419 12.076 -26.573 878 HB ILE 120 HB ILE 120 -33.641 12.366 -29.321 879 1HG1 ILE 120 1HG1 ILE 120 -31.095 13.434 -27.992 880 2HG1 ILE 120 2HG1 ILE 120 -31.166 12.145 -29.181 881 1HG2 ILE 120 1HG2 ILE 120 -34.885 13.847 -27.787 882 2HG2 ILE 120 2HG2 ILE 120 -33.350 14.528 -27.194 883 3HG2 ILE 120 3HG2 ILE 120 -33.877 14.768 -28.880 884 1HD1 ILE 120 1HD1 ILE 120 -32.084 13.754 -30.872 885 2HD1 ILE 120 2HD1 ILE 120 -31.779 15.070 -29.706 886 3HD1 ILE 120 3HD1 ILE 120 -30.433 14.101 -30.320 887 H LYS 121 H LYS 121 -35.059 10.155 -28.014 888 HA LYS 121 HA LYS 121 -37.186 11.163 -26.375 889 1HB LYS 121 1HB LYS 121 -37.456 9.722 -28.392 890 2HB LYS 121 2HB LYS 121 -36.777 8.353 -27.497 891 1HG LYS 121 1HG LYS 121 -38.671 8.448 -25.896 892 2HG LYS 121 2HG LYS 121 -39.285 9.901 -26.695 893 1HD LYS 121 1HD LYS 121 -40.598 8.009 -27.395 894 2HD LYS 121 2HD LYS 121 -39.661 8.592 -28.778 895 1HE LYS 121 1HE LYS 121 -38.007 6.771 -28.432 896 2HE LYS 121 2HE LYS 121 -38.895 6.224 -27.003 897 1HZ LYS 121 1HZ LYS 121 -39.978 6.242 -29.773 898 2HZ LYS 121 2HZ LYS 121 -39.482 4.915 -28.965 899 3HZ LYS 121 3HZ LYS 121 -40.794 5.736 -28.452 900 H ASN 122 H ASN 122 -34.733 8.664 -25.758 901 HA ASN 122 HA ASN 122 -35.765 7.970 -23.120 902 1HB ASN 122 1HB ASN 122 -33.212 7.306 -24.628 903 2HB ASN 122 2HB ASN 122 -33.468 6.844 -22.951 904 1HD2 ASN 122 1HD2 ASN 122 -34.633 6.257 -26.285 905 2HD2 ASN 122 2HD2 ASN 122 -35.522 4.817 -25.814 906 H LEU 123 H LEU 123 -33.297 10.311 -24.311 907 HA LEU 123 HA LEU 123 -32.302 11.121 -21.737 908 1HB LEU 123 1HB LEU 123 -32.799 12.936 -24.146 909 2HB LEU 123 2HB LEU 123 -31.789 13.291 -22.773 910 HG LEU 123 HG LEU 123 -31.205 11.220 -24.911 911 1HD1 LEU 123 1HD1 LEU 123 -29.860 13.870 -24.263 912 2HD1 LEU 123 2HD1 LEU 123 -29.462 12.766 -25.600 913 3HD1 LEU 123 3HD1 LEU 123 -31.011 13.625 -25.586 914 1HD2 LEU 123 1HD2 LEU 123 -28.958 11.134 -23.916 915 2HD2 LEU 123 2HD2 LEU 123 -29.536 12.095 -22.533 916 3HD2 LEU 123 3HD2 LEU 123 -30.197 10.467 -22.843 917 H ARG 124 H ARG 124 -35.048 12.361 -23.678 918 HA ARG 124 HA ARG 124 -36.043 14.279 -21.852 919 1HB ARG 124 1HB ARG 124 -36.465 13.975 -24.347 920 2HB ARG 124 2HB ARG 124 -37.569 12.653 -23.945 921 1HG ARG 124 1HG ARG 124 -38.906 14.232 -22.563 922 2HG ARG 124 2HG ARG 124 -37.796 15.539 -23.012 923 1HD ARG 124 1HD ARG 124 -39.487 13.902 -24.952 924 2HD ARG 124 2HD ARG 124 -39.922 15.508 -24.345 925 HE ARG 124 HE ARG 124 -37.415 15.908 -25.420 926 1HH1 ARG 124 1HH1 ARG 124 -40.411 14.708 -26.783 927 2HH1 ARG 124 2HH1 ARG 124 -40.001 15.243 -28.390 928 1HH2 ARG 124 1HH2 ARG 124 -36.957 16.568 -27.490 929 2HH2 ARG 124 2HH2 ARG 124 -38.097 16.276 -28.769 930 H LEU 125 H LEU 125 -36.914 10.835 -22.279 931 HA LEU 125 HA LEU 125 -39.034 10.707 -20.413 932 1HB LEU 125 1HB LEU 125 -38.497 8.998 -22.116 933 2HB LEU 125 2HB LEU 125 -37.013 8.592 -21.253 934 HG LEU 125 HG LEU 125 -38.340 7.761 -19.331 935 1HD1 LEU 125 1HD1 LEU 125 -40.394 9.102 -19.549 936 2HD1 LEU 125 2HD1 LEU 125 -40.746 8.343 -21.120 937 3HD1 LEU 125 3HD1 LEU 125 -40.782 7.382 -19.624 938 1HD2 LEU 125 1HD2 LEU 125 -37.639 6.240 -21.140 939 2HD2 LEU 125 2HD2 LEU 125 -39.190 5.746 -20.444 940 3HD2 LEU 125 3HD2 LEU 125 -39.148 6.575 -22.017 941 H ARG 126 H ARG 126 -35.513 10.406 -19.860 942 HA ARG 126 HA ARG 126 -35.910 9.951 -16.930 943 1HB ARG 126 1HB ARG 126 -33.399 10.005 -18.626 944 2HB ARG 126 2HB ARG 126 -33.504 9.601 -16.903 945 1HG ARG 126 1HG ARG 126 -35.301 7.809 -17.736 946 2HG ARG 126 2HG ARG 126 -34.454 8.005 -19.281 947 1HD ARG 126 1HD ARG 126 -32.291 7.597 -17.977 948 2HD ARG 126 2HD ARG 126 -33.299 7.166 -16.595 949 HE ARG 126 HE ARG 126 -32.915 5.665 -19.135 950 1HH1 ARG 126 1HH1 ARG 126 -34.739 5.672 -16.131 951 2HH1 ARG 126 2HH1 ARG 126 -35.202 4.006 -16.341 952 1HH2 ARG 126 1HH2 ARG 126 -33.494 3.667 -19.329 953 2HH2 ARG 126 2HH2 ARG 126 -34.514 2.870 -18.143 954 H GLU 127 H GLU 127 -35.590 12.583 -18.940 955 HA GLU 127 HA GLU 127 -35.151 14.783 -18.744 956 1HB GLU 127 1HB GLU 127 -35.557 14.394 -15.756 957 2HB GLU 127 2HB GLU 127 -35.551 15.930 -16.626 958 1HG GLU 127 1HG GLU 127 -37.494 15.165 -17.986 959 2HG GLU 127 2HG GLU 127 -37.559 13.676 -17.036 960 H GLN 128 H GLN 128 -32.950 12.986 -18.856 961 HA GLN 128 HA GLN 128 -30.763 14.281 -17.295 962 1HB GLN 128 1HB GLN 128 -30.874 11.769 -19.018 963 2HB GLN 128 2HB GLN 128 -29.392 12.421 -18.304 964 1HG GLN 128 1HG GLN 128 -30.407 12.243 -16.034 965 2HG GLN 128 2HG GLN 128 -31.841 11.501 -16.739 966 1HE2 GLN 128 1HE2 GLN 128 -28.939 10.742 -15.215 967 2HE2 GLN 128 2HE2 GLN 128 -28.775 9.107 -15.839 Start of MODEL 16 1 1H ALA 2 1H ALA 2 -11.084 20.811 -18.749 2 HA ALA 2 HA ALA 2 -9.272 19.108 -17.379 3 1HB ALA 2 1HB ALA 2 -7.589 20.706 -18.198 4 2HB ALA 2 2HB ALA 2 -8.786 20.357 -19.456 5 3HB ALA 2 3HB ALA 2 -8.862 21.892 -18.555 6 H ASP 3 H ASP 3 -11.140 21.531 -15.955 7 HA ASP 3 HA ASP 3 -9.395 21.660 -13.552 8 1HB ASP 3 1HB ASP 3 -9.149 23.711 -15.010 9 2HB ASP 3 2HB ASP 3 -10.863 24.037 -14.760 10 H GLU 4 H GLU 4 -11.740 20.004 -14.226 11 HA GLU 4 HA GLU 4 -13.488 20.697 -11.919 12 1HB GLU 4 1HB GLU 4 -14.256 20.622 -14.778 13 2HB GLU 4 2HB GLU 4 -15.243 19.564 -13.804 14 1HG GLU 4 1HG GLU 4 -14.778 22.522 -13.257 15 2HG GLU 4 2HG GLU 4 -16.192 21.830 -14.048 16 H PHE 5 H PHE 5 -14.948 18.962 -11.349 17 HA PHE 5 HA PHE 5 -14.056 16.180 -11.833 18 1HB PHE 5 1HB PHE 5 -12.645 17.093 -9.985 19 2HB PHE 5 2HB PHE 5 -14.098 17.478 -9.078 20 HD1 PHE 5 HD1 PHE 5 -12.458 14.537 -10.795 21 HD2 PHE 5 HD2 PHE 5 -14.756 15.934 -7.424 22 HE1 PHE 5 HE1 PHE 5 -12.373 12.265 -9.792 23 HE2 PHE 5 HE2 PHE 5 -14.672 13.663 -6.424 24 HZ PHE 5 HZ PHE 5 -13.482 11.824 -7.607 25 H GLY 6 H GLY 6 -16.576 18.451 -11.097 26 1HA GLY 6 1HA GLY 6 -18.852 18.131 -11.188 27 2HA GLY 6 2HA GLY 6 -18.625 16.388 -11.325 28 H ASN 7 H ASN 7 -16.940 17.454 -8.617 29 HA ASN 7 HA ASN 7 -19.140 17.501 -6.672 30 1HB ASN 7 1HB ASN 7 -18.879 15.092 -6.974 31 2HB ASN 7 2HB ASN 7 -17.122 15.214 -6.893 32 1HD2 ASN 7 1HD2 ASN 7 -20.087 15.743 -4.898 33 2HD2 ASN 7 2HD2 ASN 7 -19.256 15.385 -3.383 34 H GLY 8 H GLY 8 -18.505 18.345 -4.672 35 1HA GLY 8 1HA GLY 8 -15.790 19.627 -4.547 36 2HA GLY 8 2HA GLY 8 -17.261 20.219 -3.780 37 H ASP 9 H ASP 9 -18.100 17.625 -2.669 38 HA ASP 9 HA ASP 9 -15.947 16.659 -0.959 39 1HB ASP 9 1HB ASP 9 -16.706 18.786 0.175 40 2HB ASP 9 2HB ASP 9 -18.330 18.101 0.299 41 H ALA 10 H ALA 10 -16.510 14.835 0.307 42 HA ALA 10 HA ALA 10 -19.146 13.574 0.044 43 1HB ALA 10 1HB ALA 10 -18.218 11.537 -1.032 44 2HB ALA 10 2HB ALA 10 -18.022 12.957 -2.067 45 3HB ALA 10 3HB ALA 10 -16.629 12.331 -1.164 46 H LEU 11 H LEU 11 -17.566 14.593 2.323 47 HA LEU 11 HA LEU 11 -16.272 12.506 3.754 48 1HB LEU 11 1HB LEU 11 -16.127 15.053 4.008 49 2HB LEU 11 2HB LEU 11 -17.599 14.956 4.963 50 HG LEU 11 HG LEU 11 -14.903 13.649 5.565 51 1HD1 LEU 11 1HD1 LEU 11 -16.414 15.864 7.014 52 2HD1 LEU 11 2HD1 LEU 11 -14.797 15.238 7.413 53 3HD1 LEU 11 3HD1 LEU 11 -15.061 16.124 5.901 54 1HD2 LEU 11 1HD2 LEU 11 -16.563 12.185 6.518 55 2HD2 LEU 11 2HD2 LEU 11 -15.859 13.137 7.819 56 3HD2 LEU 11 3HD2 LEU 11 -17.470 13.560 7.198 57 H ASP 12 H ASP 12 -17.315 10.713 4.006 58 HA ASP 12 HA ASP 12 -19.901 10.581 5.511 59 1HB ASP 12 1HB ASP 12 -20.060 10.204 3.011 60 2HB ASP 12 2HB ASP 12 -19.062 8.767 3.222 61 H LEU 13 H LEU 13 -17.204 10.420 6.491 62 HA LEU 13 HA LEU 13 -16.390 7.750 7.210 63 1HB LEU 13 1HB LEU 13 -15.749 10.581 8.159 64 2HB LEU 13 2HB LEU 13 -14.928 9.211 8.836 65 HG LEU 13 HG LEU 13 -14.883 9.949 5.879 66 1HD1 LEU 13 1HD1 LEU 13 -12.747 10.184 8.021 67 2HD1 LEU 13 2HD1 LEU 13 -12.588 10.645 6.328 68 3HD1 LEU 13 3HD1 LEU 13 -13.698 11.545 7.365 69 1HD2 LEU 13 1HD2 LEU 13 -13.376 7.800 7.443 70 2HD2 LEU 13 2HD2 LEU 13 -14.524 7.536 6.110 71 3HD2 LEU 13 3HD2 LEU 13 -12.971 8.306 5.798 72 HA PRO 14 HA PRO 14 -18.602 6.753 10.897 73 1HB PRO 14 1HB PRO 14 -16.664 6.114 12.781 74 2HB PRO 14 2HB PRO 14 -17.133 5.075 11.397 75 1HG PRO 14 1HG PRO 14 -14.830 7.036 11.525 76 2HG PRO 14 2HG PRO 14 -14.796 5.310 11.036 77 1HD PRO 14 1HD PRO 14 -14.945 7.185 9.161 78 2HD PRO 14 2HD PRO 14 -16.031 5.785 9.034 79 H VAL 15 H VAL 15 -19.227 7.412 13.032 80 HA VAL 15 HA VAL 15 -18.181 10.055 13.915 81 HB VAL 15 HB VAL 15 -21.153 9.550 13.992 82 1HG1 VAL 15 1HG1 VAL 15 -21.229 12.018 13.873 83 2HG1 VAL 15 2HG1 VAL 15 -20.188 11.531 15.208 84 3HG1 VAL 15 3HG1 VAL 15 -19.463 12.086 13.688 85 1HG2 VAL 15 1HG2 VAL 15 -20.667 9.233 11.616 86 2HG2 VAL 15 2HG2 VAL 15 -21.400 10.818 11.863 87 3HG2 VAL 15 3HG2 VAL 15 -19.650 10.691 11.601 88 H GLY 16 H GLY 16 -17.556 7.479 14.989 89 1HA GLY 16 1HA GLY 16 -17.659 8.050 17.753 90 2HA GLY 16 2HA GLY 16 -18.945 6.886 17.424 91 H LYS 17 H LYS 17 -16.699 6.415 19.108 92 HA LYS 17 HA LYS 17 -14.556 5.018 17.906 93 1HB LYS 17 1HB LYS 17 -14.458 5.766 20.195 94 2HB LYS 17 2HB LYS 17 -15.771 4.674 20.675 95 1HG LYS 17 1HG LYS 17 -14.428 2.726 20.332 96 2HG LYS 17 2HG LYS 17 -13.228 3.611 19.389 97 1HD LYS 17 1HD LYS 17 -12.380 2.989 21.572 98 2HD LYS 17 2HD LYS 17 -12.401 4.744 21.351 99 1HE LYS 17 1HE LYS 17 -14.296 5.007 22.795 100 2HE LYS 17 2HE LYS 17 -14.614 3.265 22.830 101 1HZ LYS 17 1HZ LYS 17 -12.053 4.382 23.829 102 2HZ LYS 17 2HZ LYS 17 -13.367 4.212 24.818 103 3HZ LYS 17 3HZ LYS 17 -12.671 2.910 24.114 104 H ASP 18 H ASP 18 -17.767 3.735 18.780 105 HA ASP 18 HA ASP 18 -17.197 0.969 18.409 106 1HB ASP 18 1HB ASP 18 -19.767 2.529 17.923 107 2HB ASP 18 2HB ASP 18 -19.650 0.770 17.944 108 H ALA 19 H ALA 19 -18.239 3.425 15.996 109 HA ALA 19 HA ALA 19 -18.229 1.550 13.787 110 1HB ALA 19 1HB ALA 19 -18.471 3.560 12.398 111 2HB ALA 19 2HB ALA 19 -19.617 3.574 13.754 112 3HB ALA 19 3HB ALA 19 -18.161 4.594 13.817 113 H VAL 20 H VAL 20 -15.787 3.876 15.085 114 HA VAL 20 HA VAL 20 -13.853 3.414 12.991 115 HB VAL 20 HB VAL 20 -13.462 4.335 15.863 116 1HG1 VAL 20 1HG1 VAL 20 -11.487 4.130 13.551 117 2HG1 VAL 20 2HG1 VAL 20 -11.226 5.181 14.953 118 3HG1 VAL 20 3HG1 VAL 20 -11.333 3.434 15.180 119 1HG2 VAL 20 1HG2 VAL 20 -14.740 5.891 14.371 120 2HG2 VAL 20 2HG2 VAL 20 -13.165 6.545 14.827 121 3HG2 VAL 20 3HG2 VAL 20 -13.394 5.848 13.211 122 H ASN 21 H ASN 21 -14.394 1.728 16.128 123 HA ASN 21 HA ASN 21 -12.226 -0.124 15.926 124 1HB ASN 21 1HB ASN 21 -13.388 0.228 18.011 125 2HB ASN 21 2HB ASN 21 -14.946 -0.154 17.294 126 1HD2 ASN 21 1HD2 ASN 21 -15.698 -2.162 17.665 127 2HD2 ASN 21 2HD2 ASN 21 -14.694 -3.542 18.095 128 H SER 22 H SER 22 -15.636 -0.357 14.769 129 HA SER 22 HA SER 22 -15.382 -2.970 13.603 130 1HB SER 22 1HB SER 22 -17.535 -1.926 14.094 131 2HB SER 22 2HB SER 22 -17.231 -0.663 12.889 132 HG SER 22 HG SER 22 -18.529 -2.585 12.226 133 H LEU 23 H LEU 23 -14.882 0.302 12.198 134 HA LEU 23 HA LEU 23 -14.259 -0.519 9.543 135 1HB LEU 23 1HB LEU 23 -14.864 1.797 10.357 136 2HB LEU 23 2HB LEU 23 -13.297 1.896 11.148 137 HG LEU 23 HG LEU 23 -12.177 1.749 8.915 138 1HD1 LEU 23 1HD1 LEU 23 -13.961 0.578 7.639 139 2HD1 LEU 23 2HD1 LEU 23 -15.039 1.979 7.862 140 3HD1 LEU 23 3HD1 LEU 23 -13.553 2.122 6.894 141 1HD2 LEU 23 1HD2 LEU 23 -12.806 4.036 8.224 142 2HD2 LEU 23 2HD2 LEU 23 -14.286 3.931 9.207 143 3HD2 LEU 23 3HD2 LEU 23 -12.687 3.927 9.986 144 H ILE 24 H ILE 24 -12.134 -0.111 12.383 145 HA ILE 24 HA ILE 24 -9.660 -0.716 11.033 146 HB ILE 24 HB ILE 24 -10.546 -0.881 13.936 147 1HG1 ILE 24 1HG1 ILE 24 -8.495 0.973 12.644 148 2HG1 ILE 24 2HG1 ILE 24 -10.200 1.385 12.736 149 1HG2 ILE 24 1HG2 ILE 24 -8.814 -2.574 13.731 150 2HG2 ILE 24 2HG2 ILE 24 -7.809 -1.479 12.758 151 3HG2 ILE 24 3HG2 ILE 24 -8.091 -1.171 14.489 152 1HD1 ILE 24 1HD1 ILE 24 -10.089 1.096 15.252 153 2HD1 ILE 24 2HD1 ILE 24 -8.322 0.950 15.093 154 3HD1 ILE 24 3HD1 ILE 24 -9.138 2.437 14.602 155 H ARG 25 H ARG 25 -11.934 -2.803 12.907 156 HA ARG 25 HA ARG 25 -10.501 -5.257 12.530 157 1HB ARG 25 1HB ARG 25 -13.425 -4.657 13.121 158 2HB ARG 25 2HB ARG 25 -12.750 -6.301 13.079 159 1HG ARG 25 1HG ARG 25 -11.246 -5.847 14.862 160 2HG ARG 25 2HG ARG 25 -11.659 -4.127 14.873 161 1HD ARG 25 1HD ARG 25 -12.776 -5.159 16.719 162 2HD ARG 25 2HD ARG 25 -13.992 -4.697 15.537 163 HE ARG 25 HE ARG 25 -13.016 -7.460 16.164 164 1HH1 ARG 25 1HH1 ARG 25 -15.458 -5.556 14.511 165 2HH1 ARG 25 2HH1 ARG 25 -16.442 -6.955 14.186 166 1HH2 ARG 25 1HH2 ARG 25 -14.323 -9.181 15.717 167 2HH2 ARG 25 2HH2 ARG 25 -15.816 -8.945 14.858 168 H GLU 26 H GLU 26 -13.106 -3.840 10.549 169 HA GLU 26 HA GLU 26 -13.261 -6.049 8.686 170 1HB GLU 26 1HB GLU 26 -14.131 -3.137 8.559 171 2HB GLU 26 2HB GLU 26 -14.433 -4.270 7.249 172 1HG GLU 26 1HG GLU 26 -15.421 -4.724 10.096 173 2HG GLU 26 2HG GLU 26 -16.357 -3.935 8.834 174 H ASN 27 H ASN 27 -10.892 -3.585 9.020 175 HA ASN 27 HA ASN 27 -9.699 -4.279 6.370 176 1HB ASN 27 1HB ASN 27 -9.882 -1.533 7.652 177 2HB ASN 27 2HB ASN 27 -9.008 -1.898 6.171 178 1HD2 ASN 27 1HD2 ASN 27 -12.115 -1.258 7.548 179 2HD2 ASN 27 2HD2 ASN 27 -12.997 -1.283 6.011 180 H SER 28 H SER 28 -9.109 -5.505 8.908 181 HA SER 28 HA SER 28 -6.969 -4.481 10.348 182 1HB SER 28 1HB SER 28 -6.538 -6.795 11.043 183 2HB SER 28 2HB SER 28 -8.264 -6.395 11.056 184 HG SER 28 HG SER 28 -7.862 -8.437 10.076 185 H HIS 29 H HIS 29 -6.765 -5.670 7.108 186 HA HIS 29 HA HIS 29 -3.932 -6.327 7.086 187 1HB HIS 29 1HB HIS 29 -4.277 -6.511 4.676 188 2HB HIS 29 2HB HIS 29 -5.525 -7.377 5.558 189 HD2 HIS 29 HD2 HIS 29 -5.251 -5.345 2.609 190 HE1 HIS 29 HE1 HIS 29 -9.127 -4.292 4.044 191 HE2 HIS 29 HE2 HIS 29 -7.553 -4.193 2.048 192 H ILE 30 H ILE 30 -5.699 -3.339 6.887 193 HA ILE 30 HA ILE 30 -3.202 -1.867 6.149 194 HB ILE 30 HB ILE 30 -4.609 -0.231 4.915 195 1HG1 ILE 30 1HG1 ILE 30 -6.756 -2.392 5.025 196 2HG1 ILE 30 2HG1 ILE 30 -6.811 -0.852 5.876 197 1HG2 ILE 30 1HG2 ILE 30 -3.183 -1.942 3.824 198 2HG2 ILE 30 2HG2 ILE 30 -4.588 -3.019 3.718 199 3HG2 ILE 30 3HG2 ILE 30 -4.572 -1.474 2.843 200 1HD1 ILE 30 1HD1 ILE 30 -6.883 -1.248 2.863 201 2HD1 ILE 30 2HD1 ILE 30 -8.197 -0.709 3.918 202 3HD1 ILE 30 3HD1 ILE 30 -6.786 0.336 3.676 203 H PHE 31 H PHE 31 -5.968 -1.961 8.266 204 HA PHE 31 HA PHE 31 -5.063 0.601 9.556 205 1HB PHE 31 1HB PHE 31 -7.825 -0.656 9.595 206 2HB PHE 31 2HB PHE 31 -7.366 0.856 10.347 207 HD1 PHE 31 HD1 PHE 31 -9.755 0.513 8.696 208 HD2 PHE 31 HD2 PHE 31 -5.771 1.720 7.576 209 HE1 PHE 31 HE1 PHE 31 -10.654 1.580 6.646 210 HE2 PHE 31 HE2 PHE 31 -6.670 2.771 5.526 211 HZ PHE 31 HZ PHE 31 -9.109 2.664 5.034 212 H SER 32 H SER 32 -5.013 0.602 11.811 213 HA SER 32 HA SER 32 -5.709 -1.771 13.390 214 1HB SER 32 1HB SER 32 -3.527 -2.202 14.276 215 2HB SER 32 2HB SER 32 -3.436 -2.325 12.515 216 HG SER 32 HG SER 32 -2.630 -0.164 12.500 217 H ASP 33 H ASP 33 -5.199 -1.383 15.751 218 HA ASP 33 HA ASP 33 -6.286 1.106 16.617 219 1HB ASP 33 1HB ASP 33 -4.841 -1.151 18.056 220 2HB ASP 33 2HB ASP 33 -5.485 0.252 18.902 221 H THR 34 H THR 34 -3.016 0.386 15.738 222 HA THR 34 HA THR 34 -2.056 2.898 17.033 223 HB THR 34 HB THR 34 0.119 1.787 17.452 224 HG1 THR 34 HG1 THR 34 0.166 -0.471 17.378 225 1HG2 THR 34 1HG2 THR 34 -0.532 0.556 19.426 226 2HG2 THR 34 2HG2 THR 34 -1.598 1.960 19.250 227 3HG2 THR 34 3HG2 THR 34 -2.187 0.340 18.817 228 H GLN 35 H GLN 35 -2.506 1.572 13.990 229 HA GLN 35 HA GLN 35 -0.740 3.566 12.821 230 1HB GLN 35 1HB GLN 35 0.811 1.603 13.353 231 2HB GLN 35 2HB GLN 35 -0.168 0.604 12.286 232 1HG GLN 35 1HG GLN 35 0.483 2.072 10.361 233 2HG GLN 35 2HG GLN 35 1.407 3.083 11.478 234 1HE2 GLN 35 1HE2 GLN 35 3.556 2.711 10.867 235 2HE2 GLN 35 2HE2 GLN 35 4.243 1.099 10.750 236 H CYS 36 H CYS 36 -1.203 4.050 10.707 237 HA CYS 36 HA CYS 36 -3.325 2.465 9.262 238 1HB CYS 36 1HB CYS 36 -4.188 4.677 9.951 239 2HB CYS 36 2HB CYS 36 -2.799 5.459 9.184 240 H LYS 37 H LYS 37 -2.368 1.383 7.594 241 HA LYS 37 HA LYS 37 0.278 2.092 6.569 242 1HB LYS 37 1HB LYS 37 -1.758 0.094 5.493 243 2HB LYS 37 2HB LYS 37 -0.056 0.218 5.036 244 1HG LYS 37 1HG LYS 37 0.560 -0.263 7.458 245 2HG LYS 37 2HG LYS 37 -1.163 -0.592 7.756 246 1HD LYS 37 1HD LYS 37 -1.049 -2.237 5.795 247 2HD LYS 37 2HD LYS 37 0.708 -2.027 5.831 248 1HE LYS 37 1HE LYS 37 0.831 -2.905 8.099 249 2HE LYS 37 2HE LYS 37 -0.932 -2.879 8.258 250 1HZ LYS 37 1HZ LYS 37 0.556 -4.607 6.354 251 2HZ LYS 37 2HZ LYS 37 -0.145 -5.115 7.741 252 3HZ LYS 37 3HZ LYS 37 -1.076 -4.552 6.514 253 H VAL 38 H VAL 38 -3.025 2.532 5.287 254 HA VAL 38 HA VAL 38 -2.336 3.306 2.627 255 HB VAL 38 HB VAL 38 -4.673 4.236 4.345 256 1HG1 VAL 38 1HG1 VAL 38 -4.281 4.430 1.323 257 2HG1 VAL 38 2HG1 VAL 38 -5.797 4.737 2.193 258 3HG1 VAL 38 3HG1 VAL 38 -4.422 5.793 2.461 259 1HG2 VAL 38 1HG2 VAL 38 -5.936 2.538 3.026 260 2HG2 VAL 38 2HG2 VAL 38 -4.421 2.028 2.252 261 3HG2 VAL 38 3HG2 VAL 38 -4.658 1.808 3.999 262 H CYS 39 H CYS 39 -2.477 5.231 5.612 263 HA CYS 39 HA CYS 39 -1.441 7.639 4.224 264 1HB CYS 39 1HB CYS 39 -2.595 7.201 6.990 265 2HB CYS 39 2HB CYS 39 -2.208 8.748 6.245 266 H SER 40 H SER 40 -0.060 5.004 5.360 267 HA SER 40 HA SER 40 1.636 4.343 6.704 268 1HB SER 40 1HB SER 40 3.794 5.003 5.667 269 2HB SER 40 2HB SER 40 2.544 4.569 4.501 270 HG SER 40 HG SER 40 3.349 7.206 5.222 271 H ALA 41 H ALA 41 0.470 5.625 8.462 272 HA ALA 41 HA ALA 41 2.513 7.237 9.939 273 1HB ALA 41 1HB ALA 41 -0.430 7.957 9.590 274 2HB ALA 41 2HB ALA 41 0.734 8.815 10.622 275 3HB ALA 41 3HB ALA 41 0.953 8.806 8.862 276 H VAL 42 H VAL 42 2.519 7.102 12.111 277 HA VAL 42 HA VAL 42 1.192 4.766 13.341 278 HB VAL 42 HB VAL 42 3.346 6.670 14.379 279 1HG1 VAL 42 1HG1 VAL 42 2.199 5.628 16.298 280 2HG1 VAL 42 2HG1 VAL 42 2.390 4.021 15.555 281 3HG1 VAL 42 3HG1 VAL 42 3.806 4.944 16.095 282 1HG2 VAL 42 1HG2 VAL 42 3.543 3.818 13.304 283 2HG2 VAL 42 2HG2 VAL 42 4.150 5.282 12.493 284 3HG2 VAL 42 3HG2 VAL 42 4.880 4.753 14.007 285 H LEU 43 H LEU 43 -0.001 4.882 15.217 286 HA LEU 43 HA LEU 43 -1.375 7.453 15.887 287 1HB LEU 43 1HB LEU 43 -2.585 4.681 15.510 288 2HB LEU 43 2HB LEU 43 -3.463 6.118 15.987 289 HG LEU 43 HG LEU 43 -2.002 5.841 13.316 290 1HD1 LEU 43 1HD1 LEU 43 -4.943 5.425 13.905 291 2HD1 LEU 43 2HD1 LEU 43 -4.187 5.484 12.305 292 3HD1 LEU 43 3HD1 LEU 43 -3.776 4.185 13.433 293 1HD2 LEU 43 1HD2 LEU 43 -4.095 7.837 14.270 294 2HD2 LEU 43 2HD2 LEU 43 -2.371 8.186 14.062 295 3HD2 LEU 43 3HD2 LEU 43 -3.347 7.761 12.656 296 H ILE 44 H ILE 44 0.325 7.498 17.467 297 HA ILE 44 HA ILE 44 0.873 5.641 19.460 298 HB ILE 44 HB ILE 44 1.905 7.492 20.693 299 1HG1 ILE 44 1HG1 ILE 44 0.680 9.349 18.596 300 2HG1 ILE 44 2HG1 ILE 44 0.142 9.222 20.272 301 1HG2 ILE 44 1HG2 ILE 44 2.995 6.384 18.722 302 2HG2 ILE 44 2HG2 ILE 44 2.453 7.740 17.706 303 3HG2 ILE 44 3HG2 ILE 44 3.576 8.015 19.048 304 1HD1 ILE 44 1HD1 ILE 44 1.559 11.153 20.063 305 2HD1 ILE 44 2HD1 ILE 44 2.415 9.939 21.035 306 3HD1 ILE 44 3HD1 ILE 44 2.862 10.207 19.330 307 H SER 45 H SER 45 -2.095 7.312 19.357 308 HA SER 45 HA SER 45 -2.835 6.304 22.018 309 1HB SER 45 1HB SER 45 -1.915 8.560 22.497 310 2HB SER 45 2HB SER 45 -3.040 9.268 21.324 311 HG SER 45 HG SER 45 -3.756 9.343 23.556 312 H GLU 46 H GLU 46 -5.147 6.295 22.333 313 HA GLU 46 HA GLU 46 -6.697 5.595 20.040 314 1HB GLU 46 1HB GLU 46 -7.138 4.797 22.297 315 2HB GLU 46 2HB GLU 46 -7.614 6.419 22.823 316 1HG GLU 46 1HG GLU 46 -9.600 6.391 21.548 317 2HG GLU 46 2HG GLU 46 -8.986 5.176 20.431 318 H SER 47 H SER 47 -6.468 8.771 21.758 319 HA SER 47 HA SER 47 -8.569 10.018 20.266 320 1HB SER 47 1HB SER 47 -6.088 11.363 21.380 321 2HB SER 47 2HB SER 47 -7.632 12.124 20.928 322 HG SER 47 HG SER 47 -7.479 11.723 23.199 323 H GLN 48 H GLN 48 -5.126 9.493 19.458 324 HA GLN 48 HA GLN 48 -5.188 11.121 17.034 325 1HB GLN 48 1HB GLN 48 -3.326 8.809 17.763 326 2HB GLN 48 2HB GLN 48 -3.127 9.907 16.411 327 1HG GLN 48 1HG GLN 48 -2.985 10.636 19.357 328 2HG GLN 48 2HG GLN 48 -1.638 10.504 18.228 329 1HE2 GLN 48 1HE2 GLN 48 -2.800 12.872 19.877 330 2HE2 GLN 48 2HE2 GLN 48 -2.959 14.126 18.657 331 H LYS 49 H LYS 49 -5.648 7.635 17.781 332 HA LYS 49 HA LYS 49 -6.050 6.789 15.078 333 1HB LYS 49 1HB LYS 49 -6.071 4.785 16.060 334 2HB LYS 49 2HB LYS 49 -5.962 5.578 17.621 335 1HG LYS 49 1HG LYS 49 -8.473 5.594 17.740 336 2HG LYS 49 2HG LYS 49 -8.511 4.678 16.226 337 1HD LYS 49 1HD LYS 49 -7.321 2.823 17.330 338 2HD LYS 49 2HD LYS 49 -7.186 3.770 18.828 339 1HE LYS 49 1HE LYS 49 -9.710 4.011 18.775 340 2HE LYS 49 2HE LYS 49 -9.726 2.833 17.439 341 1HZ LYS 49 1HZ LYS 49 -8.613 1.258 19.037 342 2HZ LYS 49 2HZ LYS 49 -8.921 2.358 20.262 343 3HZ LYS 49 3HZ LYS 49 -10.132 1.661 19.453 344 H LEU 50 H LEU 50 -8.422 7.862 17.486 345 HA LEU 50 HA LEU 50 -10.726 7.628 15.793 346 1HB LEU 50 1HB LEU 50 -10.138 9.399 18.215 347 2HB LEU 50 2HB LEU 50 -11.711 9.320 17.417 348 HG LEU 50 HG LEU 50 -10.309 7.024 18.852 349 1HD1 LEU 50 1HD1 LEU 50 -11.350 8.735 20.310 350 2HD1 LEU 50 2HD1 LEU 50 -12.896 8.506 19.453 351 3HD1 LEU 50 3HD1 LEU 50 -12.193 7.178 20.397 352 1HD2 LEU 50 1HD2 LEU 50 -12.971 7.023 17.389 353 2HD2 LEU 50 2HD2 LEU 50 -11.532 6.032 17.024 354 3HD2 LEU 50 3HD2 LEU 50 -12.409 5.765 18.519 355 H ALA 51 H ALA 51 -8.678 10.543 16.444 356 HA ALA 51 HA ALA 51 -10.057 12.206 14.586 357 1HB ALA 51 1HB ALA 51 -8.041 13.633 14.762 358 2HB ALA 51 2HB ALA 51 -8.537 13.039 16.359 359 3HB ALA 51 3HB ALA 51 -7.149 12.299 15.526 360 H HIS 52 H HIS 52 -7.293 9.978 14.006 361 HA HIS 52 HA HIS 52 -6.844 10.852 11.311 362 1HB HIS 52 1HB HIS 52 -5.237 9.609 12.763 363 2HB HIS 52 2HB HIS 52 -6.215 8.150 12.567 364 HD1 HIS 52 HD1 HIS 52 -3.516 10.131 10.877 365 HD2 HIS 52 HD2 HIS 52 -6.451 7.287 9.848 366 HE1 HIS 52 HE1 HIS 52 -2.901 9.261 8.552 367 H TYR 53 H TYR 53 -8.682 7.982 12.575 368 HA TYR 53 HA TYR 53 -9.565 7.192 9.946 369 1HB TYR 53 1HB TYR 53 -10.557 6.420 12.701 370 2HB TYR 53 2HB TYR 53 -11.112 5.683 11.200 371 HD1 TYR 53 HD1 TYR 53 -8.943 5.101 9.538 372 HD2 TYR 53 HD2 TYR 53 -9.009 5.007 13.838 373 HE1 TYR 53 HE1 TYR 53 -6.950 3.608 9.536 374 HE2 TYR 53 HE2 TYR 53 -7.016 3.518 13.837 375 HH TYR 53 HH TYR 53 -5.502 2.416 12.586 376 H GLN 54 H GLN 54 -10.695 9.719 11.963 377 HA GLN 54 HA GLN 54 -13.236 9.972 10.415 378 1HB GLN 54 1HB GLN 54 -12.303 11.319 12.976 379 2HB GLN 54 2HB GLN 54 -13.824 11.655 12.146 380 1HG GLN 54 1HG GLN 54 -14.542 9.308 12.434 381 2HG GLN 54 2HG GLN 54 -13.061 8.935 13.310 382 1HE2 GLN 54 1HE2 GLN 54 -16.215 10.337 13.479 383 2HE2 GLN 54 2HE2 GLN 54 -16.135 10.810 15.190 384 H SER 55 H SER 55 -10.059 11.056 10.150 385 HA SER 55 HA SER 55 -10.451 13.833 9.481 386 1HB SER 55 1HB SER 55 -8.263 12.986 10.143 387 2HB SER 55 2HB SER 55 -8.222 11.902 8.734 388 HG SER 55 HG SER 55 -7.096 13.984 8.515 389 H ARG 56 H ARG 56 -10.977 14.806 7.634 390 HA ARG 56 HA ARG 56 -12.202 13.543 5.413 391 1HB ARG 56 1HB ARG 56 -12.355 15.927 6.327 392 2HB ARG 56 2HB ARG 56 -10.882 16.302 5.450 393 1HG ARG 56 1HG ARG 56 -13.345 15.155 4.062 394 2HG ARG 56 2HG ARG 56 -13.222 16.867 4.471 395 1HD ARG 56 1HD ARG 56 -11.127 17.041 3.148 396 2HD ARG 56 2HD ARG 56 -11.357 15.359 2.624 397 HE ARG 56 HE ARG 56 -13.791 16.666 2.101 398 1HH1 ARG 56 1HH1 ARG 56 -10.523 17.103 0.843 399 2HH1 ARG 56 2HH1 ARG 56 -11.138 17.869 -0.598 400 1HH2 ARG 56 1HH2 ARG 56 -14.430 17.599 0.434 401 2HH2 ARG 56 2HH2 ARG 56 -13.382 18.158 -0.865 402 H LYS 57 H LYS 57 -8.806 14.264 5.948 403 HA LYS 57 HA LYS 57 -7.881 13.825 3.217 404 1HB LYS 57 1HB LYS 57 -6.371 13.576 5.860 405 2HB LYS 57 2HB LYS 57 -5.647 13.680 4.259 406 1HG LYS 57 1HG LYS 57 -7.233 15.879 5.656 407 2HG LYS 57 2HG LYS 57 -5.485 15.794 5.456 408 1HD LYS 57 1HD LYS 57 -5.790 15.911 2.958 409 2HD LYS 57 2HD LYS 57 -7.533 16.059 3.210 410 1HE LYS 57 1HE LYS 57 -6.728 18.257 2.843 411 2HE LYS 57 2HE LYS 57 -7.153 18.135 4.552 412 1HZ LYS 57 1HZ LYS 57 -4.776 17.865 5.048 413 2HZ LYS 57 2HZ LYS 57 -4.390 17.940 3.459 414 3HZ LYS 57 3HZ LYS 57 -5.010 19.245 4.214 415 H HIS 58 H HIS 58 -8.307 11.682 6.026 416 HA HIS 58 HA HIS 58 -7.064 9.344 4.906 417 1HB HIS 58 1HB HIS 58 -7.512 9.605 7.294 418 2HB HIS 58 2HB HIS 58 -9.249 9.617 7.004 419 HD2 HIS 58 HD2 HIS 58 -10.489 7.325 6.611 420 HE1 HIS 58 HE1 HIS 58 -7.157 4.744 7.225 421 HE2 HIS 58 HE2 HIS 58 -9.682 4.839 6.962 422 H ALA 59 H ALA 59 -10.474 10.522 4.759 423 HA ALA 59 HA ALA 59 -11.549 8.300 3.335 424 1HB ALA 59 1HB ALA 59 -12.294 11.275 3.219 425 2HB ALA 59 2HB ALA 59 -13.267 9.955 2.540 426 3HB ALA 59 3HB ALA 59 -13.004 10.038 4.276 427 H ASN 60 H ASN 60 -10.066 11.304 2.062 428 HA ASN 60 HA ASN 60 -10.407 10.645 -0.712 429 1HB ASN 60 1HB ASN 60 -8.627 12.599 0.802 430 2HB ASN 60 2HB ASN 60 -8.496 12.389 -0.943 431 1HD2 ASN 60 1HD2 ASN 60 -10.776 13.408 1.645 432 2HD2 ASN 60 2HD2 ASN 60 -11.816 14.261 0.509 433 H LYS 61 H LYS 61 -7.547 10.139 1.464 434 HA LYS 61 HA LYS 61 -5.996 8.912 -0.601 435 1HB LYS 61 1HB LYS 61 -5.336 9.932 1.764 436 2HB LYS 61 2HB LYS 61 -5.521 8.255 2.313 437 1HG LYS 61 1HG LYS 61 -3.927 7.528 0.561 438 2HG LYS 61 2HG LYS 61 -3.843 9.197 -0.048 439 1HD LYS 61 1HD LYS 61 -2.872 9.955 2.110 440 2HD LYS 61 2HD LYS 61 -3.017 8.308 2.736 441 1HE LYS 61 1HE LYS 61 -0.745 8.577 2.100 442 2HE LYS 61 2HE LYS 61 -1.503 7.499 0.927 443 1HZ LYS 61 1HZ LYS 61 -0.985 10.402 0.494 444 2HZ LYS 61 2HZ LYS 61 -0.103 9.188 -0.144 445 3HZ LYS 61 3HZ LYS 61 -1.650 9.394 -0.611 446 H VAL 62 H VAL 62 -8.202 7.448 1.827 447 HA VAL 62 HA VAL 62 -7.647 4.708 1.071 448 HB VAL 62 HB VAL 62 -10.044 6.013 2.404 449 1HG1 VAL 62 1HG1 VAL 62 -10.914 3.994 1.313 450 2HG1 VAL 62 2HG1 VAL 62 -9.540 3.040 1.917 451 3HG1 VAL 62 3HG1 VAL 62 -10.747 3.702 3.041 452 1HG2 VAL 62 1HG2 VAL 62 -7.865 5.874 3.683 453 2HG2 VAL 62 2HG2 VAL 62 -9.165 4.915 4.389 454 3HG2 VAL 62 3HG2 VAL 62 -7.883 4.119 3.451 455 H ARG 63 H ARG 63 -10.110 7.057 -0.135 456 HA ARG 63 HA ARG 63 -11.287 5.237 -2.032 457 1HB ARG 63 1HB ARG 63 -11.189 8.252 -1.824 458 2HB ARG 63 2HB ARG 63 -12.027 7.416 -3.148 459 1HG ARG 63 1HG ARG 63 -13.468 6.217 -1.651 460 2HG ARG 63 2HG ARG 63 -12.547 6.713 -0.223 461 1HD ARG 63 1HD ARG 63 -13.172 9.041 -0.579 462 2HD ARG 63 2HD ARG 63 -14.093 8.583 -2.035 463 HE ARG 63 HE ARG 63 -15.067 6.941 0.013 464 1HH1 ARG 63 1HH1 ARG 63 -14.871 10.430 -0.206 465 2HH1 ARG 63 2HH1 ARG 63 -16.358 10.627 0.707 466 1HH2 ARG 63 1HH2 ARG 63 -17.041 7.272 0.838 467 2HH2 ARG 63 2HH2 ARG 63 -17.550 8.897 1.288 468 H ARG 64 H ARG 64 -8.547 7.499 -2.388 469 HA ARG 64 HA ARG 64 -8.035 6.966 -5.162 470 1HB ARG 64 1HB ARG 64 -7.121 8.894 -3.899 471 2HB ARG 64 2HB ARG 64 -6.124 7.809 -2.939 472 1HG ARG 64 1HG ARG 64 -4.817 8.924 -4.636 473 2HG ARG 64 2HG ARG 64 -4.804 7.194 -4.933 474 1HD ARG 64 1HD ARG 64 -6.792 8.998 -6.362 475 2HD ARG 64 2HD ARG 64 -5.104 8.908 -6.896 476 HE ARG 64 HE ARG 64 -6.164 6.254 -6.649 477 1HH1 ARG 64 1HH1 ARG 64 -6.423 9.032 -8.780 478 2HH1 ARG 64 2HH1 ARG 64 -6.752 8.045 -10.178 479 1HH2 ARG 64 1HH2 ARG 64 -6.546 5.064 -8.486 480 2HH2 ARG 64 2HH2 ARG 64 -6.829 5.861 -10.007 481 H TYR 65 H TYR 65 -6.820 5.338 -2.214 482 HA TYR 65 HA TYR 65 -5.178 3.417 -3.643 483 1HB TYR 65 1HB TYR 65 -4.701 3.986 -1.336 484 2HB TYR 65 2HB TYR 65 -6.324 3.548 -0.824 485 HD1 TYR 65 HD1 TYR 65 -6.626 1.480 0.205 486 HD2 TYR 65 HD2 TYR 65 -3.357 1.982 -2.567 487 HE1 TYR 65 HE1 TYR 65 -5.885 -0.855 0.657 488 HE2 TYR 65 HE2 TYR 65 -2.612 -0.353 -2.103 489 HH TYR 65 HH TYR 65 -4.348 -2.494 0.186 490 H MET 66 H MET 66 -8.568 3.291 -2.412 491 HA MET 66 HA MET 66 -9.021 0.549 -3.062 492 1HB MET 66 1HB MET 66 -10.892 2.902 -2.672 493 2HB MET 66 2HB MET 66 -11.491 1.294 -3.106 494 1HG MET 66 1HG MET 66 -9.741 1.871 -0.698 495 2HG MET 66 2HG MET 66 -11.492 1.704 -0.645 496 1HE MET 66 1HE MET 66 -9.206 -1.432 0.868 497 2HE MET 66 2HE MET 66 -8.416 0.046 0.267 498 3HE MET 66 3HE MET 66 -9.851 0.163 1.317 499 H ALA 67 H ALA 67 -8.870 3.363 -5.141 500 HA ALA 67 HA ALA 67 -10.184 2.137 -7.428 501 1HB ALA 67 1HB ALA 67 -9.271 4.089 -8.631 502 2HB ALA 67 2HB ALA 67 -10.064 4.576 -7.121 503 3HB ALA 67 3HB ALA 67 -8.297 4.520 -7.211 504 H ILE 68 H ILE 68 -7.210 1.516 -5.919 505 HA ILE 68 HA ILE 68 -5.909 0.370 -8.361 506 HB ILE 68 HB ILE 68 -4.612 0.737 -5.641 507 1HG1 ILE 68 1HG1 ILE 68 -5.262 2.981 -6.162 508 2HG1 ILE 68 2HG1 ILE 68 -3.535 2.785 -6.309 509 1HG2 ILE 68 1HG2 ILE 68 -2.526 0.705 -6.965 510 2HG2 ILE 68 2HG2 ILE 68 -3.470 -0.776 -7.154 511 3HG2 ILE 68 3HG2 ILE 68 -3.474 0.441 -8.445 512 1HD1 ILE 68 1HD1 ILE 68 -3.714 2.763 -8.776 513 2HD1 ILE 68 2HD1 ILE 68 -5.483 2.920 -8.648 514 3HD1 ILE 68 3HD1 ILE 68 -4.423 4.221 -8.065 515 H ASN 69 H ASN 69 -6.674 -0.244 -4.930 516 HA ASN 69 HA ASN 69 -5.993 -3.037 -4.889 517 1HB ASN 69 1HB ASN 69 -5.917 -1.501 -2.938 518 2HB ASN 69 2HB ASN 69 -7.658 -1.259 -3.047 519 1HD2 ASN 69 1HD2 ASN 69 -8.578 -2.289 -1.306 520 2HD2 ASN 69 2HD2 ASN 69 -8.146 -3.919 -0.807 521 H GLN 70 H GLN 70 -7.482 -4.785 -4.338 522 HA GLN 70 HA GLN 70 -9.916 -4.851 -6.010 523 1HB GLN 70 1HB GLN 70 -8.492 -6.993 -4.377 524 2HB GLN 70 2HB GLN 70 -9.917 -7.258 -5.399 525 1HG GLN 70 1HG GLN 70 -8.633 -6.447 -7.377 526 2HG GLN 70 2HG GLN 70 -7.184 -6.312 -6.379 527 1HE2 GLN 70 1HE2 GLN 70 -7.705 -8.059 -8.775 528 2HE2 GLN 70 2HE2 GLN 70 -7.398 -9.688 -8.188 529 H GLY 71 H GLY 71 -10.678 -3.037 -4.432 530 1HA GLY 71 1HA GLY 71 -12.557 -4.235 -2.469 531 2HA GLY 71 2HA GLY 71 -11.383 -3.082 -1.849 532 H GLU 72 H GLU 72 -13.552 -2.140 -1.217 533 HA GLU 72 HA GLU 72 -14.470 -0.093 -3.172 534 1HB GLU 72 1HB GLU 72 -16.234 -1.962 -1.546 535 2HB GLU 72 2HB GLU 72 -16.818 -0.520 -2.357 536 1HG GLU 72 1HG GLU 72 -15.595 -2.940 -3.739 537 2HG GLU 72 2HG GLU 72 -17.307 -2.575 -3.606 538 H ASP 73 H ASP 73 -15.872 1.544 -2.074 539 HA ASP 73 HA ASP 73 -14.458 2.863 -0.018 540 1HB ASP 73 1HB ASP 73 -15.915 3.894 -1.771 541 2HB ASP 73 2HB ASP 73 -17.336 3.292 -0.910 542 H SER 74 H SER 74 -14.998 3.466 2.091 543 HA SER 74 HA SER 74 -15.788 1.431 3.892 544 1HB SER 74 1HB SER 74 -15.595 4.436 4.338 545 2HB SER 74 2HB SER 74 -15.584 3.184 5.596 546 HG SER 74 HG SER 74 -13.465 3.927 4.956 547 H VAL 75 H VAL 75 -17.820 0.636 4.140 548 HA VAL 75 HA VAL 75 -20.182 2.189 3.573 549 HB VAL 75 HB VAL 75 -20.024 -0.183 3.100 550 1HG1 VAL 75 1HG1 VAL 75 -20.315 -1.912 4.749 551 2HG1 VAL 75 2HG1 VAL 75 -18.854 -0.999 5.142 552 3HG1 VAL 75 3HG1 VAL 75 -20.357 -0.737 6.071 553 1HG2 VAL 75 1HG2 VAL 75 -22.310 0.463 4.996 554 2HG2 VAL 75 2HG2 VAL 75 -22.221 0.885 3.268 555 3HG2 VAL 75 3HG2 VAL 75 -22.276 -0.809 3.763 556 HA PRO 76 HA PRO 76 -20.481 3.937 7.714 557 1HB PRO 76 1HB PRO 76 -22.566 5.620 7.388 558 2HB PRO 76 2HB PRO 76 -21.067 5.820 6.432 559 1HG PRO 76 1HG PRO 76 -23.607 4.360 5.595 560 2HG PRO 76 2HG PRO 76 -22.767 5.677 4.718 561 1HD PRO 76 1HD PRO 76 -22.307 3.048 4.162 562 2HD PRO 76 2HD PRO 76 -20.997 4.263 4.088 563 H ALA 77 H ALA 77 -22.678 1.606 6.605 564 HA ALA 77 HA ALA 77 -24.939 1.747 8.190 565 1HB ALA 77 1HB ALA 77 -24.584 0.161 6.350 566 2HB ALA 77 2HB ALA 77 -23.394 -0.735 7.326 567 3HB ALA 77 3HB ALA 77 -25.101 -0.687 7.817 568 H LYS 78 H LYS 78 -21.781 1.063 9.360 569 HA LYS 78 HA LYS 78 -22.064 -0.442 11.706 570 1HB LYS 78 1HB LYS 78 -20.320 2.004 11.171 571 2HB LYS 78 2HB LYS 78 -20.045 0.824 12.457 572 1HG LYS 78 1HG LYS 78 -19.513 -0.919 10.904 573 2HG LYS 78 2HG LYS 78 -20.112 0.008 9.522 574 1HD LYS 78 1HD LYS 78 -18.324 1.677 9.797 575 2HD LYS 78 2HD LYS 78 -17.725 0.819 11.216 576 1HE LYS 78 1HE LYS 78 -16.352 0.318 9.274 577 2HE LYS 78 2HE LYS 78 -17.156 -1.144 9.858 578 1HZ LYS 78 1HZ LYS 78 -17.230 -0.815 7.384 579 2HZ LYS 78 2HZ LYS 78 -18.703 -1.006 8.053 580 3HZ LYS 78 3HZ LYS 78 -18.219 0.487 7.596 581 H LYS 79 H LYS 79 -22.921 2.933 11.189 582 HA LYS 79 HA LYS 79 -23.256 3.899 13.832 583 1HB LYS 79 1HB LYS 79 -24.692 4.520 11.217 584 2HB LYS 79 2HB LYS 79 -24.965 5.432 12.707 585 1HG LYS 79 1HG LYS 79 -22.678 6.192 12.789 586 2HG LYS 79 2HG LYS 79 -22.191 5.105 11.490 587 1HD LYS 79 1HD LYS 79 -22.404 7.425 10.685 588 2HD LYS 79 2HD LYS 79 -23.477 6.309 9.854 589 1HE LYS 79 1HE LYS 79 -24.671 8.353 10.232 590 2HE LYS 79 2HE LYS 79 -25.397 7.089 11.218 591 1HZ LYS 79 1HZ LYS 79 -24.178 8.003 13.143 592 2HZ LYS 79 2HZ LYS 79 -23.514 9.172 12.205 593 3HZ LYS 79 3HZ LYS 79 -25.121 9.149 12.468 594 H PHE 80 H PHE 80 -25.368 1.699 12.068 595 HA PHE 80 HA PHE 80 -27.744 2.068 13.638 596 1HB PHE 80 1HB PHE 80 -27.575 1.058 11.359 597 2HB PHE 80 2HB PHE 80 -26.763 -0.338 12.051 598 HD1 PHE 80 HD1 PHE 80 -28.038 -2.160 12.946 599 HD2 PHE 80 HD2 PHE 80 -29.970 1.598 12.077 600 HE1 PHE 80 HE1 PHE 80 -30.258 -3.215 13.305 601 HE2 PHE 80 HE2 PHE 80 -32.189 0.539 12.438 602 HZ PHE 80 HZ PHE 80 -32.335 -1.868 13.051 603 H LYS 81 H LYS 81 -24.803 0.271 14.298 604 HA LYS 81 HA LYS 81 -26.034 -1.406 16.404 605 1HB LYS 81 1HB LYS 81 -23.221 -1.345 15.239 606 2HB LYS 81 2HB LYS 81 -23.803 -2.487 16.461 607 1HG LYS 81 1HG LYS 81 -25.555 -3.287 14.892 608 2HG LYS 81 2HG LYS 81 -24.906 -2.220 13.631 609 1HD LYS 81 1HD LYS 81 -22.720 -3.365 13.768 610 2HD LYS 81 2HD LYS 81 -23.342 -4.456 15.010 611 1HE LYS 81 1HE LYS 81 -24.480 -4.200 12.184 612 2HE LYS 81 2HE LYS 81 -23.275 -5.398 12.665 613 1HZ LYS 81 1HZ LYS 81 -26.016 -5.210 13.800 614 2HZ LYS 81 2HZ LYS 81 -25.490 -6.346 12.755 615 3HZ LYS 81 3HZ LYS 81 -24.882 -6.293 14.266 616 H ALA 82 H ALA 82 -26.295 1.181 17.151 617 HA ALA 82 HA ALA 82 -24.619 1.285 19.599 618 1HB ALA 82 1HB ALA 82 -23.467 2.730 17.964 619 2HB ALA 82 2HB ALA 82 -24.976 3.626 17.675 620 3HB ALA 82 3HB ALA 82 -24.187 3.697 19.266 621 H ALA 83 H ALA 83 -25.671 1.958 21.381 622 HA ALA 83 HA ALA 83 -28.140 3.497 21.370 623 1HB ALA 83 1HB ALA 83 -28.999 1.231 20.831 624 2HB ALA 83 2HB ALA 83 -28.131 0.556 22.228 625 3HB ALA 83 3HB ALA 83 -29.477 1.685 22.472 626 HA PRO 84 HA PRO 84 -26.697 4.723 25.407 627 1HB PRO 84 1HB PRO 84 -29.450 4.139 26.499 628 2HB PRO 84 2HB PRO 84 -28.452 5.613 26.685 629 1HG PRO 84 1HG PRO 84 -30.511 5.570 24.927 630 2HG PRO 84 2HG PRO 84 -28.948 6.317 24.457 631 1HD PRO 84 1HD PRO 84 -29.990 3.555 23.782 632 2HD PRO 84 2HD PRO 84 -29.208 4.763 22.717 633 H ALA 85 H ALA 85 -25.726 3.820 27.204 634 HA ALA 85 HA ALA 85 -26.616 1.241 28.330 635 1HB ALA 85 1HB ALA 85 -24.489 0.115 27.795 636 2HB ALA 85 2HB ALA 85 -25.283 0.646 26.308 637 3HB ALA 85 3HB ALA 85 -23.907 1.569 26.952 638 H GLU 86 H GLU 86 -26.258 4.017 29.448 639 HA GLU 86 HA GLU 86 -24.489 3.285 31.729 640 1HB GLU 86 1HB GLU 86 -23.147 4.539 30.053 641 2HB GLU 86 2HB GLU 86 -24.270 5.897 30.182 642 1HG GLU 86 1HG GLU 86 -23.646 6.233 32.525 643 2HG GLU 86 2HG GLU 86 -22.690 4.751 32.523 644 H ILE 87 H ILE 87 -25.136 3.945 33.658 645 HA ILE 87 HA ILE 87 -27.769 4.708 34.282 646 HB ILE 87 HB ILE 87 -25.169 4.922 35.840 647 1HG1 ILE 87 1HG1 ILE 87 -27.335 2.848 36.300 648 2HG1 ILE 87 2HG1 ILE 87 -26.157 2.605 35.019 649 1HG2 ILE 87 1HG2 ILE 87 -26.549 4.973 37.919 650 2HG2 ILE 87 2HG2 ILE 87 -26.772 6.415 36.954 651 3HG2 ILE 87 3HG2 ILE 87 -28.006 5.138 36.932 652 1HD1 ILE 87 1HD1 ILE 87 -25.410 3.021 37.941 653 2HD1 ILE 87 2HD1 ILE 87 -25.450 1.477 37.072 654 3HD1 ILE 87 3HD1 ILE 87 -24.293 2.735 36.595 655 H SER 88 H SER 88 -24.914 6.747 33.840 656 HA SER 88 HA SER 88 -25.787 9.187 34.883 657 1HB SER 88 1HB SER 88 -23.952 8.715 32.509 658 2HB SER 88 2HB SER 88 -24.022 10.183 33.500 659 HG SER 88 HG SER 88 -23.216 9.066 35.231 660 H ASP 89 H ASP 89 -27.076 7.695 32.019 661 HA ASP 89 HA ASP 89 -27.660 9.924 30.391 662 1HB ASP 89 1HB ASP 89 -27.943 7.557 29.752 663 2HB ASP 89 2HB ASP 89 -29.295 7.406 30.879 664 H GLY 90 H GLY 90 -29.338 8.810 33.319 665 1HA GLY 90 1HA GLY 90 -30.253 10.937 34.507 666 2HA GLY 90 2HA GLY 90 -31.319 11.048 33.115 667 H GLU 91 H GLU 91 -32.086 8.414 32.733 668 HA GLU 91 HA GLU 91 -34.264 8.246 34.534 669 1HB GLU 91 1HB GLU 91 -33.177 6.167 32.598 670 2HB GLU 91 2HB GLU 91 -34.735 6.067 33.427 671 1HG GLU 91 1HG GLU 91 -35.360 8.290 32.395 672 2HG GLU 91 2HG GLU 91 -33.896 8.189 31.413 673 H ASP 92 H ASP 92 -31.108 6.794 35.005 674 HA ASP 92 HA ASP 92 -32.245 5.179 37.258 675 1HB ASP 92 1HB ASP 92 -29.902 4.567 35.455 676 2HB ASP 92 2HB ASP 92 -30.269 3.675 36.933 677 H ARG 93 H ARG 93 -30.630 7.999 36.888 678 HA ARG 93 HA ARG 93 -28.521 7.898 38.835 679 1HB ARG 93 1HB ARG 93 -30.426 10.179 38.145 680 2HB ARG 93 2HB ARG 93 -28.951 10.337 39.099 681 1HG ARG 93 1HG ARG 93 -27.589 9.640 37.132 682 2HG ARG 93 2HG ARG 93 -29.075 9.537 36.161 683 1HD ARG 93 1HD ARG 93 -29.563 11.938 36.764 684 2HD ARG 93 2HD ARG 93 -27.988 12.012 37.577 685 HE ARG 93 HE ARG 93 -27.576 11.148 34.882 686 1HH1 ARG 93 1HH1 ARG 93 -28.539 14.085 36.548 687 2HH1 ARG 93 2HH1 ARG 93 -27.992 15.098 35.240 688 1HH2 ARG 93 1HH2 ARG 93 -26.933 12.460 33.291 689 2HH2 ARG 93 2HH2 ARG 93 -27.091 14.201 33.427 690 H SER 94 H SER 94 -31.986 7.924 39.235 691 HA SER 94 HA SER 94 -32.077 8.657 42.032 692 1HB SER 94 1HB SER 94 -34.449 7.899 41.806 693 2HB SER 94 2HB SER 94 -33.957 9.094 40.598 694 HG SER 94 HG SER 94 -35.094 7.382 39.620 695 H LYS 95 H LYS 95 -31.051 5.760 40.559 696 HA LYS 95 HA LYS 95 -31.604 4.193 43.072 697 1HB LYS 95 1HB LYS 95 -31.230 2.913 40.355 698 2HB LYS 95 2HB LYS 95 -31.766 2.193 41.854 699 1HG LYS 95 1HG LYS 95 -33.788 2.304 40.887 700 2HG LYS 95 2HG LYS 95 -33.814 3.951 41.533 701 1HD LYS 95 1HD LYS 95 -33.059 4.827 39.350 702 2HD LYS 95 2HD LYS 95 -32.802 3.177 38.752 703 1HE LYS 95 1HE LYS 95 -35.255 2.734 39.103 704 2HE LYS 95 2HE LYS 95 -35.472 4.458 39.449 705 1HZ LYS 95 1HZ LYS 95 -34.699 4.964 37.217 706 2HZ LYS 95 2HZ LYS 95 -34.261 3.429 36.925 707 3HZ LYS 95 3HZ LYS 95 -35.856 3.816 37.069 708 H CYS 96 H CYS 96 -29.214 4.958 40.553 709 HA CYS 96 HA CYS 96 -27.095 3.830 42.321 710 1HB CYS 96 1HB CYS 96 -27.234 3.361 39.321 711 2HB CYS 96 2HB CYS 96 -26.013 2.747 40.454 712 HG CYS 96 HG CYS 96 -29.240 2.030 40.223 713 H CYS 97 H CYS 97 -24.976 4.586 41.914 714 HA CYS 97 HA CYS 97 -24.708 7.175 40.437 715 1HB CYS 97 1HB CYS 97 -25.081 7.770 42.705 716 2HB CYS 97 2HB CYS 97 -23.959 6.538 43.293 717 HA PRO 98 HA PRO 98 -21.266 4.363 39.222 718 1HB PRO 98 1HB PRO 98 -20.730 5.400 36.749 719 2HB PRO 98 2HB PRO 98 -22.128 4.331 37.072 720 1HG PRO 98 1HG PRO 98 -22.093 7.362 36.967 721 2HG PRO 98 2HG PRO 98 -23.218 6.241 36.137 722 1HD PRO 98 1HD PRO 98 -23.854 7.448 38.492 723 2HD PRO 98 2HD PRO 98 -24.370 5.771 38.145 724 H VAL 99 H VAL 99 -21.335 7.852 39.533 725 HA VAL 99 HA VAL 99 -18.588 8.522 39.175 726 HB VAL 99 HB VAL 99 -20.662 9.754 41.019 727 1HG1 VAL 99 1HG1 VAL 99 -18.010 10.903 40.050 728 2HG1 VAL 99 2HG1 VAL 99 -19.289 11.800 40.899 729 3HG1 VAL 99 3HG1 VAL 99 -18.440 10.508 41.734 730 1HG2 VAL 99 1HG2 VAL 99 -19.758 10.504 38.204 731 2HG2 VAL 99 2HG2 VAL 99 -21.347 9.844 38.651 732 3HG2 VAL 99 3HG2 VAL 99 -20.871 11.451 39.210 733 H CYS 100 H CYS 100 -20.335 7.214 41.942 734 HA CYS 100 HA CYS 100 -17.831 6.944 43.560 735 1HB CYS 100 1HB CYS 100 -20.771 6.844 44.351 736 2HB CYS 100 2HB CYS 100 -19.389 6.743 45.423 737 H ASN 101 H ASN 101 -20.055 5.186 41.743 738 HA ASN 101 HA ASN 101 -20.623 3.080 41.350 739 1HB ASN 101 1HB ASN 101 -18.175 2.852 40.962 740 2HB ASN 101 2HB ASN 101 -17.976 2.322 42.634 741 1HD2 ASN 101 1HD2 ASN 101 -17.180 0.241 42.021 742 2HD2 ASN 101 2HD2 ASN 101 -18.244 -0.950 41.286 743 H MET 102 H MET 102 -22.147 3.933 43.052 744 HA MET 102 HA MET 102 -22.582 1.809 45.113 745 1HB MET 102 1HB MET 102 -22.856 4.805 45.603 746 2HB MET 102 2HB MET 102 -23.329 3.524 46.726 747 1HG MET 102 1HG MET 102 -20.898 2.719 46.612 748 2HG MET 102 2HG MET 102 -20.533 4.270 45.858 749 1HE MET 102 1HE MET 102 -22.656 6.196 47.550 750 2HE MET 102 2HE MET 102 -21.523 6.781 48.784 751 3HE MET 102 3HE MET 102 -20.995 6.646 47.094 752 H THR 103 H THR 103 -24.827 1.977 46.069 753 HA THR 103 HA THR 103 -26.900 2.757 44.075 754 HB THR 103 HB THR 103 -28.101 0.702 44.466 755 HG1 THR 103 HG1 THR 103 -27.122 -0.968 45.652 756 1HG2 THR 103 1HG2 THR 103 -26.283 0.764 42.680 757 2HG2 THR 103 2HG2 THR 103 -25.229 -0.091 43.819 758 3HG2 THR 103 3HG2 THR 103 -26.735 -0.849 43.258 759 H PHE 104 H PHE 104 -29.072 2.910 44.974 760 HA PHE 104 HA PHE 104 -29.178 3.643 47.871 761 1HB PHE 104 1HB PHE 104 -30.592 5.193 45.691 762 2HB PHE 104 2HB PHE 104 -30.310 5.655 47.356 763 HD1 PHE 104 HD1 PHE 104 -27.727 5.870 48.060 764 HD2 PHE 104 HD2 PHE 104 -29.212 6.082 44.016 765 HE1 PHE 104 HE1 PHE 104 -25.656 7.046 47.354 766 HE2 PHE 104 HE2 PHE 104 -27.169 7.287 43.323 767 HZ PHE 104 HZ PHE 104 -25.372 7.751 44.993 768 H SER 105 H SER 105 -31.153 3.348 48.932 769 HA SER 105 HA SER 105 -32.883 1.269 47.879 770 1HB SER 105 1HB SER 105 -34.035 1.535 50.072 771 2HB SER 105 2HB SER 105 -32.290 1.256 50.203 772 HG SER 105 HG SER 105 -33.014 2.960 51.573 773 H SER 106 H SER 106 -33.093 4.758 47.850 774 HA SER 106 HA SER 106 -35.599 4.704 46.357 775 1HB SER 106 1HB SER 106 -35.452 5.777 49.199 776 2HB SER 106 2HB SER 106 -36.584 6.474 48.034 777 HG SER 106 HG SER 106 -36.465 3.680 48.449 778 HA PRO 107 HA PRO 107 -33.941 8.324 44.427 779 1HB PRO 107 1HB PRO 107 -36.612 9.662 44.855 780 2HB PRO 107 2HB PRO 107 -35.634 9.547 43.361 781 1HG PRO 107 1HG PRO 107 -37.785 7.937 43.726 782 2HG PRO 107 2HG PRO 107 -36.273 7.266 43.036 783 1HD PRO 107 1HD PRO 107 -37.292 7.069 45.870 784 2HD PRO 107 2HD PRO 107 -36.543 5.816 44.836 785 H VAL 108 H VAL 108 -35.795 9.031 47.412 786 HA VAL 108 HA VAL 108 -34.698 11.630 47.925 787 HB VAL 108 HB VAL 108 -35.723 9.577 49.931 788 1HG1 VAL 108 1HG1 VAL 108 -34.509 11.386 51.075 789 2HG1 VAL 108 2HG1 VAL 108 -35.405 12.607 50.143 790 3HG1 VAL 108 3HG1 VAL 108 -36.243 11.578 51.326 791 1HG2 VAL 108 1HG2 VAL 108 -37.179 11.817 48.452 792 2HG2 VAL 108 2HG2 VAL 108 -37.450 10.074 48.239 793 3HG2 VAL 108 3HG2 VAL 108 -37.863 10.841 49.771 794 H VAL 109 H VAL 109 -33.486 8.375 48.699 795 HA VAL 109 HA VAL 109 -31.265 9.281 50.349 796 HB VAL 109 HB VAL 109 -31.644 6.633 48.891 797 1HG1 VAL 109 1HG1 VAL 109 -29.822 7.394 51.215 798 2HG1 VAL 109 2HG1 VAL 109 -30.060 5.753 50.576 799 3HG1 VAL 109 3HG1 VAL 109 -29.294 6.984 49.569 800 1HG2 VAL 109 1HG2 VAL 109 -32.371 5.799 51.127 801 2HG2 VAL 109 2HG2 VAL 109 -32.334 7.464 51.744 802 3HG2 VAL 109 3HG2 VAL 109 -33.487 6.997 50.474 803 H ALA 110 H ALA 110 -31.698 8.506 46.877 804 HA ALA 110 HA ALA 110 -28.963 8.832 46.095 805 1HB ALA 110 1HB ALA 110 -30.817 7.789 44.727 806 2HB ALA 110 2HB ALA 110 -31.461 9.415 44.439 807 3HB ALA 110 3HB ALA 110 -29.845 8.990 43.853 808 H GLU 111 H GLU 111 -31.699 11.187 46.123 809 HA GLU 111 HA GLU 111 -30.211 13.492 45.315 810 1HB GLU 111 1HB GLU 111 -32.711 13.152 47.016 811 2HB GLU 111 2HB GLU 111 -32.077 14.731 46.561 812 1HG GLU 111 1HG GLU 111 -32.850 12.600 44.523 813 2HG GLU 111 2HG GLU 111 -33.950 13.833 45.119 814 H SER 112 H SER 112 -30.809 12.172 48.599 815 HA SER 112 HA SER 112 -29.483 14.244 50.063 816 1HB SER 112 1HB SER 112 -29.803 11.298 50.768 817 2HB SER 112 2HB SER 112 -29.299 12.583 51.877 818 HG SER 112 HG SER 112 -31.796 12.292 50.546 819 H HIS 113 H HIS 113 -28.208 11.267 48.528 820 HA HIS 113 HA HIS 113 -25.519 11.528 49.552 821 1HB HIS 113 1HB HIS 113 -26.224 9.390 48.780 822 2HB HIS 113 2HB HIS 113 -26.781 10.023 47.238 823 HD1 HIS 113 HD1 HIS 113 -23.448 9.227 49.012 824 HD2 HIS 113 HD2 HIS 113 -25.037 10.335 45.277 825 HE1 HIS 113 HE1 HIS 113 -21.528 9.071 47.327 826 H TYR 114 H TYR 114 -27.015 12.529 46.405 827 HA TYR 114 HA TYR 114 -24.649 13.572 45.270 828 1HB TYR 114 1HB TYR 114 -27.545 14.357 44.797 829 2HB TYR 114 2HB TYR 114 -26.201 14.887 43.796 830 HD1 TYR 114 HD1 TYR 114 -24.528 12.617 43.310 831 HD2 TYR 114 HD2 TYR 114 -28.828 12.791 43.564 832 HE1 TYR 114 HE1 TYR 114 -24.694 10.556 41.939 833 HE2 TYR 114 HE2 TYR 114 -28.988 10.713 42.211 834 HH TYR 114 HH TYR 114 -27.828 9.004 41.208 835 H ILE 115 H ILE 115 -26.791 15.178 47.597 836 HA ILE 115 HA ILE 115 -25.305 17.721 47.262 837 HB ILE 115 HB ILE 115 -26.869 18.715 48.802 838 1HG1 ILE 115 1HG1 ILE 115 -29.003 17.456 49.379 839 2HG1 ILE 115 2HG1 ILE 115 -28.130 15.961 49.079 840 1HG2 ILE 115 1HG2 ILE 115 -28.307 17.102 46.661 841 2HG2 ILE 115 2HG2 ILE 115 -28.801 18.658 47.353 842 3HG2 ILE 115 3HG2 ILE 115 -27.334 18.562 46.371 843 1HD1 ILE 115 1HD1 ILE 115 -28.311 16.619 51.486 844 2HD1 ILE 115 2HD1 ILE 115 -26.640 16.406 50.965 845 3HD1 ILE 115 3HD1 ILE 115 -27.314 18.046 51.147 846 H GLY 116 H GLY 116 -24.625 14.930 48.895 847 1HA GLY 116 1HA GLY 116 -23.512 16.199 51.335 848 2HA GLY 116 2HA GLY 116 -23.668 14.480 51.009 849 H LYS 117 H LYS 117 -21.376 15.672 52.056 850 HA LYS 117 HA LYS 117 -19.323 16.290 50.183 851 1HB LYS 117 1HB LYS 117 -19.052 15.023 52.946 852 2HB LYS 117 2HB LYS 117 -17.757 15.800 52.042 853 1HG LYS 117 1HG LYS 117 -20.243 17.184 53.138 854 2HG LYS 117 2HG LYS 117 -18.617 17.236 53.814 855 1HD LYS 117 1HD LYS 117 -17.797 18.361 51.722 856 2HD LYS 117 2HD LYS 117 -19.448 18.331 51.091 857 1HE LYS 117 1HE LYS 117 -19.098 20.514 51.947 858 2HE LYS 117 2HE LYS 117 -20.217 19.690 53.036 859 1HZ LYS 117 1HZ LYS 117 -18.489 20.909 54.246 860 2HZ LYS 117 2HZ LYS 117 -18.344 19.318 54.561 861 3HZ LYS 117 3HZ LYS 117 -17.302 20.049 53.531 862 H THR 118 H THR 118 -20.469 13.102 51.184 863 HA THR 118 HA THR 118 -18.291 11.505 50.384 864 HB THR 118 HB THR 118 -21.226 10.807 49.992 865 HG1 THR 118 HG1 THR 118 -21.104 10.079 52.131 866 1HG2 THR 118 1HG2 THR 118 -20.461 8.509 50.544 867 2HG2 THR 118 2HG2 THR 118 -19.664 9.108 49.085 868 3HG2 THR 118 3HG2 THR 118 -18.782 9.087 50.627 869 H HIS 119 H HIS 119 -20.964 12.791 48.341 870 HA HIS 119 HA HIS 119 -20.017 11.537 45.900 871 1HB HIS 119 1HB HIS 119 -22.360 12.312 46.322 872 2HB HIS 119 2HB HIS 119 -21.799 13.980 46.257 873 HD2 HIS 119 HD2 HIS 119 -21.792 15.068 43.894 874 HE1 HIS 119 HE1 HIS 119 -22.085 11.563 41.482 875 HE2 HIS 119 HE2 HIS 119 -22.056 14.109 41.451 876 H ILE 120 H ILE 120 -19.639 14.790 47.317 877 HA ILE 120 HA ILE 120 -18.181 15.982 45.199 878 HB ILE 120 HB ILE 120 -18.233 16.673 48.145 879 1HG1 ILE 120 1HG1 ILE 120 -19.789 17.671 45.702 880 2HG1 ILE 120 2HG1 ILE 120 -20.436 16.686 47.009 881 1HG2 ILE 120 1HG2 ILE 120 -17.416 18.906 47.453 882 2HG2 ILE 120 2HG2 ILE 120 -16.233 17.675 47.061 883 3HG2 ILE 120 3HG2 ILE 120 -17.264 18.340 45.775 884 1HD1 ILE 120 1HD1 ILE 120 -19.572 19.582 47.239 885 2HD1 ILE 120 2HD1 ILE 120 -21.197 18.902 47.382 886 3HD1 ILE 120 3HD1 ILE 120 -19.988 18.544 48.629 887 H LYS 121 H LYS 121 -16.931 14.224 48.074 888 HA LYS 121 HA LYS 121 -14.128 14.581 47.506 889 1HB LYS 121 1HB LYS 121 -15.685 12.411 48.979 890 2HB LYS 121 2HB LYS 121 -13.920 12.412 48.859 891 1HG LYS 121 1HG LYS 121 -13.768 14.577 49.971 892 2HG LYS 121 2HG LYS 121 -15.536 14.713 50.044 893 1HD LYS 121 1HD LYS 121 -15.649 12.716 51.474 894 2HD LYS 121 2HD LYS 121 -13.877 12.547 51.385 895 1HE LYS 121 1HE LYS 121 -13.628 14.801 52.416 896 2HE LYS 121 2HE LYS 121 -15.387 14.941 52.533 897 1HZ LYS 121 1HZ LYS 121 -14.413 14.172 54.624 898 2HZ LYS 121 2HZ LYS 121 -15.367 12.996 54.016 899 3HZ LYS 121 3HZ LYS 121 -13.742 12.874 53.902 900 H ASN 122 H ASN 122 -16.447 12.131 46.360 901 HA ASN 122 HA ASN 122 -14.497 10.584 44.911 902 1HB ASN 122 1HB ASN 122 -17.508 10.736 44.907 903 2HB ASN 122 2HB ASN 122 -16.667 9.852 43.637 904 1HD2 ASN 122 1HD2 ASN 122 -17.379 9.863 47.114 905 2HD2 ASN 122 2HD2 ASN 122 -16.744 8.240 47.368 906 H LEU 123 H LEU 123 -16.220 13.579 44.000 907 HA LEU 123 HA LEU 123 -15.694 13.463 41.185 908 1HB LEU 123 1HB LEU 123 -15.535 15.991 42.876 909 2HB LEU 123 2HB LEU 123 -15.873 15.877 41.161 910 HG LEU 123 HG LEU 123 -17.718 14.965 43.385 911 1HD1 LEU 123 1HD1 LEU 123 -17.450 17.414 43.276 912 2HD1 LEU 123 2HD1 LEU 123 -17.882 17.383 41.553 913 3HD1 LEU 123 3HD1 LEU 123 -19.076 16.914 42.784 914 1HD2 LEU 123 1HD2 LEU 123 -19.448 14.781 41.702 915 2HD2 LEU 123 2HD2 LEU 123 -18.283 15.180 40.412 916 3HD2 LEU 123 3HD2 LEU 123 -18.115 13.672 41.343 917 H ARG 124 H ARG 124 -13.631 14.621 43.908 918 HA ARG 124 HA ARG 124 -11.416 15.355 42.231 919 1HB ARG 124 1HB ARG 124 -11.888 16.246 44.549 920 2HB ARG 124 2HB ARG 124 -11.442 14.656 45.215 921 1HG ARG 124 1HG ARG 124 -9.230 14.831 44.139 922 2HG ARG 124 2HG ARG 124 -9.701 16.383 43.421 923 1HD ARG 124 1HD ARG 124 -9.834 17.382 45.674 924 2HD ARG 124 2HD ARG 124 -9.412 15.810 46.398 925 HE ARG 124 HE ARG 124 -7.451 16.493 44.427 926 1HH1 ARG 124 1HH1 ARG 124 -8.297 17.559 47.659 927 2HH1 ARG 124 2HH1 ARG 124 -6.663 18.076 47.990 928 1HH2 ARG 124 1HH2 ARG 124 -5.496 17.122 44.871 929 2HH2 ARG 124 2HH2 ARG 124 -5.077 17.836 46.417 930 H LEU 125 H LEU 125 -12.159 12.389 44.130 931 HA LEU 125 HA LEU 125 -9.715 11.027 43.564 932 1HB LEU 125 1HB LEU 125 -12.511 9.924 44.048 933 2HB LEU 125 2HB LEU 125 -11.058 8.937 44.000 934 HG LEU 125 HG LEU 125 -11.506 11.184 46.013 935 1HD1 LEU 125 1HD1 LEU 125 -11.752 8.166 46.339 936 2HD1 LEU 125 2HD1 LEU 125 -11.889 9.377 47.635 937 3HD1 LEU 125 3HD1 LEU 125 -13.097 9.327 46.344 938 1HD2 LEU 125 1HD2 LEU 125 -9.118 10.748 45.667 939 2HD2 LEU 125 2HD2 LEU 125 -9.629 10.104 47.228 940 3HD2 LEU 125 3HD2 LEU 125 -9.386 9.000 45.857 941 H ARG 126 H ARG 126 -12.722 11.190 41.604 942 HA ARG 126 HA ARG 126 -11.945 9.340 39.605 943 1HB ARG 126 1HB ARG 126 -14.212 10.447 40.264 944 2HB ARG 126 2HB ARG 126 -13.770 11.675 39.063 945 1HG ARG 126 1HG ARG 126 -13.609 9.959 37.338 946 2HG ARG 126 2HG ARG 126 -13.680 8.668 38.570 947 1HD ARG 126 1HD ARG 126 -15.908 9.378 39.233 948 2HD ARG 126 2HD ARG 126 -15.910 10.624 37.978 949 HE ARG 126 HE ARG 126 -16.038 8.949 36.276 950 1HH1 ARG 126 1HH1 ARG 126 -16.242 7.450 39.457 951 2HH1 ARG 126 2HH1 ARG 126 -17.134 6.099 38.822 952 1HH2 ARG 126 1HH2 ARG 126 -16.992 7.073 35.556 953 2HH2 ARG 126 2HH2 ARG 126 -17.346 5.796 36.684 954 H GLU 127 H GLU 127 -11.255 12.781 39.966 955 HA GLU 127 HA GLU 127 -9.981 13.000 37.292 956 1HB GLU 127 1HB GLU 127 -10.487 14.983 39.545 957 2HB GLU 127 2HB GLU 127 -9.658 15.399 38.051 958 1HG GLU 127 1HG GLU 127 -12.513 14.332 38.170 959 2HG GLU 127 2HG GLU 127 -12.077 16.032 38.103 960 H GLN 128 H GLN 128 -8.961 12.535 40.610 961 HA GLN 128 HA GLN 128 -6.081 12.641 39.814 962 1HB GLN 128 1HB GLN 128 -7.311 13.829 42.345 963 2HB GLN 128 2HB GLN 128 -5.583 13.676 42.007 964 1HG GLN 128 1HG GLN 128 -5.885 15.149 40.002 965 2HG GLN 128 2HG GLN 128 -7.570 15.403 40.468 966 1HE2 GLN 128 1HE2 GLN 128 -5.581 17.500 40.204 967 2HE2 GLN 128 2HE2 GLN 128 -5.394 18.199 41.806 Start of MODEL 17 1 1H ALA 2 1H ALA 2 -5.125 11.726 30.174 2 HA ALA 2 HA ALA 2 -6.937 13.974 30.891 3 1HB ALA 2 1HB ALA 2 -4.773 14.369 32.043 4 2HB ALA 2 2HB ALA 2 -3.925 14.257 30.483 5 3HB ALA 2 3HB ALA 2 -5.073 15.580 30.786 6 H ASP 3 H ASP 3 -6.206 11.901 28.520 7 HA ASP 3 HA ASP 3 -6.853 13.833 26.350 8 1HB ASP 3 1HB ASP 3 -4.354 13.368 26.525 9 2HB ASP 3 2HB ASP 3 -4.708 11.693 26.107 10 H GLU 4 H GLU 4 -8.156 11.421 27.929 11 HA GLU 4 HA GLU 4 -8.795 9.463 25.893 12 1HB GLU 4 1HB GLU 4 -10.314 8.550 27.550 13 2HB GLU 4 2HB GLU 4 -8.749 8.913 28.268 14 1HG GLU 4 1HG GLU 4 -9.674 10.997 29.260 15 2HG GLU 4 2HG GLU 4 -11.239 10.664 28.519 16 H PHE 5 H PHE 5 -9.905 12.616 26.200 17 HA PHE 5 HA PHE 5 -12.692 12.287 25.461 18 1HB PHE 5 1HB PHE 5 -11.702 14.187 26.765 19 2HB PHE 5 2HB PHE 5 -10.850 14.709 25.319 20 HD1 PHE 5 HD1 PHE 5 -11.912 16.259 23.855 21 HD2 PHE 5 HD2 PHE 5 -14.300 13.994 26.646 22 HE1 PHE 5 HE1 PHE 5 -13.907 17.598 23.236 23 HE2 PHE 5 HE2 PHE 5 -16.297 15.333 26.017 24 HZ PHE 5 HZ PHE 5 -16.104 17.136 24.315 25 H GLY 6 H GLY 6 -13.628 13.254 23.462 26 1HA GLY 6 1HA GLY 6 -12.081 13.618 21.063 27 2HA GLY 6 2HA GLY 6 -12.824 12.018 21.085 28 H ASN 7 H ASN 7 -13.517 13.552 19.074 29 HA ASN 7 HA ASN 7 -16.358 14.300 19.523 30 1HB ASN 7 1HB ASN 7 -14.263 16.055 18.146 31 2HB ASN 7 2HB ASN 7 -15.991 16.375 18.146 32 1HD2 ASN 7 1HD2 ASN 7 -17.052 16.859 20.255 33 2HD2 ASN 7 2HD2 ASN 7 -16.057 17.606 21.494 34 H GLY 8 H GLY 8 -17.308 14.882 17.235 35 1HA GLY 8 1HA GLY 8 -16.281 13.614 14.867 36 2HA GLY 8 2HA GLY 8 -17.537 12.625 15.621 37 H ASP 9 H ASP 9 -18.140 13.486 13.152 38 HA ASP 9 HA ASP 9 -20.329 15.430 13.577 39 1HB ASP 9 1HB ASP 9 -18.354 16.775 12.872 40 2HB ASP 9 2HB ASP 9 -18.196 15.772 11.429 41 H ALA 10 H ALA 10 -22.070 15.166 12.217 42 HA ALA 10 HA ALA 10 -22.534 12.600 11.084 43 1HB ALA 10 1HB ALA 10 -24.700 13.578 10.431 44 2HB ALA 10 2HB ALA 10 -24.279 13.975 12.107 45 3HB ALA 10 3HB ALA 10 -24.098 15.201 10.829 46 H LEU 11 H LEU 11 -21.592 11.836 9.314 47 HA LEU 11 HA LEU 11 -21.916 12.995 6.701 48 1HB LEU 11 1HB LEU 11 -19.859 14.135 7.699 49 2HB LEU 11 2HB LEU 11 -19.129 12.553 7.899 50 HG LEU 11 HG LEU 11 -19.014 12.279 5.454 51 1HD1 LEU 11 1HD1 LEU 11 -21.003 13.539 4.716 52 2HD1 LEU 11 2HD1 LEU 11 -20.283 15.047 5.319 53 3HD1 LEU 11 3HD1 LEU 11 -19.547 14.182 3.950 54 1HD2 LEU 11 1HD2 LEU 11 -17.356 13.984 4.996 55 2HD2 LEU 11 2HD2 LEU 11 -17.975 14.998 6.322 56 3HD2 LEU 11 3HD2 LEU 11 -17.198 13.443 6.678 57 H ASP 12 H ASP 12 -20.761 11.329 5.164 58 HA ASP 12 HA ASP 12 -21.696 8.667 5.751 59 1HB ASP 12 1HB ASP 12 -21.639 9.756 3.479 60 2HB ASP 12 2HB ASP 12 -19.881 9.626 3.501 61 H LEU 13 H LEU 13 -18.939 10.186 6.582 62 HA LEU 13 HA LEU 13 -17.022 7.951 6.775 63 1HB LEU 13 1HB LEU 13 -17.062 10.922 7.451 64 2HB LEU 13 2HB LEU 13 -15.840 9.898 8.165 65 HG LEU 13 HG LEU 13 -15.023 9.211 5.953 66 1HD1 LEU 13 1HD1 LEU 13 -16.995 9.514 4.520 67 2HD1 LEU 13 2HD1 LEU 13 -16.982 11.266 4.841 68 3HD1 LEU 13 3HD1 LEU 13 -15.661 10.504 3.936 69 1HD2 LEU 13 1HD2 LEU 13 -15.199 12.215 6.449 70 2HD2 LEU 13 2HD2 LEU 13 -13.996 11.091 7.115 71 3HD2 LEU 13 3HD2 LEU 13 -14.032 11.421 5.379 72 HA PRO 14 HA PRO 14 -17.893 6.559 10.923 73 1HB PRO 14 1HB PRO 14 -15.106 7.415 11.727 74 2HB PRO 14 2HB PRO 14 -15.932 5.864 12.040 75 1HG PRO 14 1HG PRO 14 -14.094 6.051 10.082 76 2HG PRO 14 2HG PRO 14 -15.633 5.177 9.771 77 1HD PRO 14 1HD PRO 14 -14.889 8.008 8.997 78 2HD PRO 14 2HD PRO 14 -15.669 6.736 8.006 79 H VAL 15 H VAL 15 -18.686 7.374 12.876 80 HA VAL 15 HA VAL 15 -18.207 10.235 13.537 81 HB VAL 15 HB VAL 15 -20.165 9.972 12.046 82 1HG1 VAL 15 1HG1 VAL 15 -22.267 9.023 12.852 83 2HG1 VAL 15 2HG1 VAL 15 -21.009 7.784 12.780 84 3HG1 VAL 15 3HG1 VAL 15 -21.482 8.478 14.347 85 1HG2 VAL 15 1HG2 VAL 15 -21.162 10.956 14.728 86 2HG2 VAL 15 2HG2 VAL 15 -20.013 11.851 13.713 87 3HG2 VAL 15 3HG2 VAL 15 -21.631 11.460 13.104 88 H GLY 16 H GLY 16 -17.337 7.709 14.750 89 1HA GLY 16 1HA GLY 16 -17.259 8.473 17.431 90 2HA GLY 16 2HA GLY 16 -18.641 7.380 17.317 91 H LYS 17 H LYS 17 -16.705 6.687 18.971 92 HA LYS 17 HA LYS 17 -14.503 5.189 18.040 93 1HB LYS 17 1HB LYS 17 -14.779 5.944 20.339 94 2HB LYS 17 2HB LYS 17 -16.157 4.857 20.577 95 1HG LYS 17 1HG LYS 17 -14.750 2.900 20.370 96 2HG LYS 17 2HG LYS 17 -13.371 3.869 19.829 97 1HD LYS 17 1HD LYS 17 -13.249 4.971 22.034 98 2HD LYS 17 2HD LYS 17 -14.661 4.035 22.590 99 1HE LYS 17 1HE LYS 17 -13.436 1.928 22.190 100 2HE LYS 17 2HE LYS 17 -12.049 2.845 21.568 101 1HZ LYS 17 1HZ LYS 17 -11.619 3.723 23.691 102 2HZ LYS 17 2HZ LYS 17 -13.037 3.170 24.346 103 3HZ LYS 17 3HZ LYS 17 -11.836 2.135 23.927 104 H ASP 18 H ASP 18 -17.862 4.084 18.439 105 HA ASP 18 HA ASP 18 -17.383 1.295 18.026 106 1HB ASP 18 1HB ASP 18 -19.824 3.005 17.402 107 2HB ASP 18 2HB ASP 18 -19.794 1.245 17.343 108 H ALA 19 H ALA 19 -18.104 3.892 15.634 109 HA ALA 19 HA ALA 19 -18.086 2.135 13.340 110 1HB ALA 19 1HB ALA 19 -19.213 4.310 13.276 111 2HB ALA 19 2HB ALA 19 -17.670 5.150 13.569 112 3HB ALA 19 3HB ALA 19 -17.918 4.251 12.056 113 H VAL 20 H VAL 20 -15.584 4.256 14.831 114 HA VAL 20 HA VAL 20 -13.517 3.677 12.916 115 HB VAL 20 HB VAL 20 -13.353 4.584 15.816 116 1HG1 VAL 20 1HG1 VAL 20 -10.993 5.318 15.098 117 2HG1 VAL 20 2HG1 VAL 20 -11.216 3.587 15.374 118 3HG1 VAL 20 3HG1 VAL 20 -11.184 4.220 13.717 119 1HG2 VAL 20 1HG2 VAL 20 -12.829 6.772 14.784 120 2HG2 VAL 20 2HG2 VAL 20 -13.016 6.066 13.163 121 3HG2 VAL 20 3HG2 VAL 20 -14.411 6.200 14.251 122 H ASN 21 H ASN 21 -14.354 2.042 16.034 123 HA ASN 21 HA ASN 21 -12.234 0.124 15.931 124 1HB ASN 21 1HB ASN 21 -13.468 0.535 17.974 125 2HB ASN 21 2HB ASN 21 -15.006 0.164 17.198 126 1HD2 ASN 21 1HD2 ASN 21 -15.781 -1.858 17.467 127 2HD2 ASN 21 2HD2 ASN 21 -14.812 -3.236 17.971 128 H SER 22 H SER 22 -15.636 -0.059 14.682 129 HA SER 22 HA SER 22 -15.420 -2.709 13.618 130 1HB SER 22 1HB SER 22 -17.124 -0.393 12.594 131 2HB SER 22 2HB SER 22 -17.348 -2.111 12.222 132 HG SER 22 HG SER 22 -17.670 -0.770 14.708 133 H LEU 23 H LEU 23 -14.712 0.459 12.092 134 HA LEU 23 HA LEU 23 -14.034 -0.505 9.508 135 1HB LEU 23 1HB LEU 23 -14.503 1.866 10.196 136 2HB LEU 23 2HB LEU 23 -12.974 1.894 11.066 137 HG LEU 23 HG LEU 23 -11.763 1.568 8.896 138 1HD1 LEU 23 1HD1 LEU 23 -14.550 1.963 7.706 139 2HD1 LEU 23 2HD1 LEU 23 -13.026 1.996 6.793 140 3HD1 LEU 23 3HD1 LEU 23 -13.559 0.497 7.562 141 1HD2 LEU 23 1HD2 LEU 23 -12.147 3.809 9.871 142 2HD2 LEU 23 2HD2 LEU 23 -12.181 3.870 8.099 143 3HD2 LEU 23 3HD2 LEU 23 -13.703 3.910 9.020 144 H ILE 24 H ILE 24 -12.031 -0.165 12.450 145 HA ILE 24 HA ILE 24 -9.551 -1.022 11.233 146 HB ILE 24 HB ILE 24 -10.518 -0.949 14.114 147 1HG1 ILE 24 1HG1 ILE 24 -8.337 0.714 12.780 148 2HG1 ILE 24 2HG1 ILE 24 -10.018 1.222 12.786 149 1HG2 ILE 24 1HG2 ILE 24 -7.783 -1.741 13.052 150 2HG2 ILE 24 2HG2 ILE 24 -8.116 -1.351 14.756 151 3HG2 ILE 24 3HG2 ILE 24 -8.878 -2.747 14.018 152 1HD1 ILE 24 1HD1 ILE 24 -8.257 0.823 15.234 153 2HD1 ILE 24 2HD1 ILE 24 -8.957 2.326 14.622 154 3HD1 ILE 24 3HD1 ILE 24 -10.015 1.089 15.310 155 H ARG 25 H ARG 25 -12.097 -2.846 13.077 156 HA ARG 25 HA ARG 25 -10.763 -5.381 12.875 157 1HB ARG 25 1HB ARG 25 -13.740 -4.923 13.164 158 2HB ARG 25 2HB ARG 25 -12.861 -6.429 13.464 159 1HG ARG 25 1HG ARG 25 -12.823 -3.878 15.010 160 2HG ARG 25 2HG ARG 25 -13.300 -5.455 15.580 161 1HD ARG 25 1HD ARG 25 -11.070 -6.110 15.969 162 2HD ARG 25 2HD ARG 25 -10.414 -4.916 14.834 163 HE ARG 25 HE ARG 25 -11.829 -3.683 17.056 164 1HH1 ARG 25 1HH1 ARG 25 -8.613 -4.808 16.141 165 2HH1 ARG 25 2HH1 ARG 25 -7.873 -3.486 17.043 166 1HH2 ARG 25 1HH2 ARG 25 -10.817 -2.134 18.087 167 2HH2 ARG 25 2HH2 ARG 25 -9.056 -1.984 18.038 168 H GLU 26 H GLU 26 -13.120 -3.891 10.682 169 HA GLU 26 HA GLU 26 -13.289 -6.185 8.904 170 1HB GLU 26 1HB GLU 26 -14.093 -3.262 8.627 171 2HB GLU 26 2HB GLU 26 -14.357 -4.465 7.361 172 1HG GLU 26 1HG GLU 26 -15.684 -5.857 8.915 173 2HG GLU 26 2HG GLU 26 -15.481 -4.660 10.188 174 H ASN 27 H ASN 27 -10.846 -3.773 9.241 175 HA ASN 27 HA ASN 27 -9.596 -4.612 6.659 176 1HB ASN 27 1HB ASN 27 -9.760 -1.783 7.744 177 2HB ASN 27 2HB ASN 27 -8.916 -2.270 6.282 178 1HD2 ASN 27 1HD2 ASN 27 -12.001 -1.522 7.674 179 2HD2 ASN 27 2HD2 ASN 27 -12.906 -1.609 6.154 180 H SER 28 H SER 28 -9.039 -5.691 9.243 181 HA SER 28 HA SER 28 -6.955 -4.582 10.695 182 1HB SER 28 1HB SER 28 -6.502 -6.862 11.483 183 2HB SER 28 2HB SER 28 -8.232 -6.482 11.446 184 HG SER 28 HG SER 28 -7.780 -8.556 10.551 185 H HIS 29 H HIS 29 -6.636 -5.894 7.509 186 HA HIS 29 HA HIS 29 -3.788 -6.494 7.601 187 1HB HIS 29 1HB HIS 29 -4.062 -6.817 5.198 188 2HB HIS 29 2HB HIS 29 -5.315 -7.664 6.093 189 HD2 HIS 29 HD2 HIS 29 -5.028 -5.856 3.023 190 HE1 HIS 29 HE1 HIS 29 -8.935 -4.737 4.314 191 HE2 HIS 29 HE2 HIS 29 -7.335 -4.788 2.336 192 H ILE 30 H ILE 30 -5.615 -3.563 7.159 193 HA ILE 30 HA ILE 30 -3.125 -2.088 6.396 194 HB ILE 30 HB ILE 30 -4.535 -0.545 5.051 195 1HG1 ILE 30 1HG1 ILE 30 -6.653 -2.729 5.260 196 2HG1 ILE 30 2HG1 ILE 30 -6.742 -1.141 6.020 197 1HG2 ILE 30 1HG2 ILE 30 -4.456 -1.909 3.055 198 2HG2 ILE 30 2HG2 ILE 30 -3.074 -2.299 4.079 199 3HG2 ILE 30 3HG2 ILE 30 -4.462 -3.399 4.022 200 1HD1 ILE 30 1HD1 ILE 30 -6.723 -0.078 3.767 201 2HD1 ILE 30 2HD1 ILE 30 -6.752 -1.699 3.029 202 3HD1 ILE 30 3HD1 ILE 30 -8.105 -1.154 4.032 203 H PHE 31 H PHE 31 -5.891 -2.140 8.493 204 HA PHE 31 HA PHE 31 -5.028 0.479 9.691 205 1HB PHE 31 1HB PHE 31 -7.800 -0.759 9.694 206 2HB PHE 31 2HB PHE 31 -7.354 0.776 10.405 207 HD1 PHE 31 HD1 PHE 31 -9.677 0.289 8.622 208 HD2 PHE 31 HD2 PHE 31 -5.681 1.624 7.732 209 HE1 PHE 31 HE1 PHE 31 -10.489 1.301 6.507 210 HE2 PHE 31 HE2 PHE 31 -6.492 2.627 5.621 211 HZ PHE 31 HZ PHE 31 -8.889 2.439 4.985 212 H SER 32 H SER 32 -4.746 0.465 11.890 213 HA SER 32 HA SER 32 -5.614 -1.846 13.520 214 1HB SER 32 1HB SER 32 -3.535 -2.450 14.331 215 2HB SER 32 2HB SER 32 -3.234 -2.255 12.600 216 HG SER 32 HG SER 32 -1.629 -1.239 13.873 217 H ASP 33 H ASP 33 -4.992 -1.434 15.880 218 HA ASP 33 HA ASP 33 -6.149 1.040 16.730 219 1HB ASP 33 1HB ASP 33 -4.587 -1.074 18.264 220 2HB ASP 33 2HB ASP 33 -5.500 0.243 19.006 221 H THR 34 H THR 34 -2.938 0.403 15.709 222 HA THR 34 HA THR 34 -1.952 2.907 16.984 223 HB THR 34 HB THR 34 0.262 1.837 17.310 224 HG1 THR 34 HG1 THR 34 0.341 -0.420 17.261 225 1HG2 THR 34 1HG2 THR 34 -1.952 0.371 18.797 226 2HG2 THR 34 2HG2 THR 34 -0.276 0.631 19.327 227 3HG2 THR 34 3HG2 THR 34 -1.378 2.011 19.177 228 H GLN 35 H GLN 35 -2.458 1.490 13.958 229 HA GLN 35 HA GLN 35 -0.765 3.536 12.732 230 1HB GLN 35 1HB GLN 35 0.796 1.574 13.214 231 2HB GLN 35 2HB GLN 35 -0.224 0.573 12.185 232 1HG GLN 35 1HG GLN 35 0.360 2.040 10.234 233 2HG GLN 35 2HG GLN 35 1.340 3.040 11.313 234 1HE2 GLN 35 1HE2 GLN 35 3.508 2.606 10.868 235 2HE2 GLN 35 2HE2 GLN 35 4.135 0.985 10.613 236 H CYS 36 H CYS 36 -1.275 4.013 10.630 237 HA CYS 36 HA CYS 36 -3.417 2.413 9.238 238 1HB CYS 36 1HB CYS 36 -4.279 4.635 9.924 239 2HB CYS 36 2HB CYS 36 -2.909 5.410 9.116 240 H LYS 37 H LYS 37 -2.427 1.296 7.620 241 HA LYS 37 HA LYS 37 0.191 2.075 6.538 242 1HB LYS 37 1HB LYS 37 -1.743 -0.093 5.613 243 2HB LYS 37 2HB LYS 37 -0.046 0.082 5.152 244 1HG LYS 37 1HG LYS 37 0.588 -0.212 7.594 245 2HG LYS 37 2HG LYS 37 -1.120 -0.583 7.926 246 1HD LYS 37 1HD LYS 37 -0.950 -2.356 6.083 247 2HD LYS 37 2HD LYS 37 0.799 -2.085 6.108 248 1HE LYS 37 1HE LYS 37 0.943 -2.799 8.430 249 2HE LYS 37 2HE LYS 37 -0.820 -2.803 8.592 250 1HZ LYS 37 1HZ LYS 37 -0.929 -4.608 6.983 251 2HZ LYS 37 2HZ LYS 37 0.704 -4.634 6.818 252 3HZ LYS 37 3HZ LYS 37 0.022 -5.052 8.243 253 H VAL 38 H VAL 38 -3.149 2.411 5.390 254 HA VAL 38 HA VAL 38 -2.554 3.025 2.642 255 HB VAL 38 HB VAL 38 -4.867 3.879 4.427 256 1HG1 VAL 38 1HG1 VAL 38 -4.825 5.514 2.663 257 2HG1 VAL 38 2HG1 VAL 38 -4.504 4.266 1.431 258 3HG1 VAL 38 3HG1 VAL 38 -6.069 4.340 2.265 259 1HG2 VAL 38 1HG2 VAL 38 -4.720 1.456 3.973 260 2HG2 VAL 38 2HG2 VAL 38 -6.091 2.161 3.111 261 3HG2 VAL 38 3HG2 VAL 38 -4.599 1.773 2.231 262 H CYS 39 H CYS 39 -2.686 5.090 5.542 263 HA CYS 39 HA CYS 39 -1.758 7.466 4.033 264 1HB CYS 39 1HB CYS 39 -2.754 7.072 6.866 265 2HB CYS 39 2HB CYS 39 -2.391 8.609 6.090 266 H SER 40 H SER 40 -0.223 4.885 5.242 267 HA SER 40 HA SER 40 1.581 4.341 6.482 268 1HB SER 40 1HB SER 40 2.746 6.518 4.677 269 2HB SER 40 2HB SER 40 3.673 5.224 5.463 270 HG SER 40 HG SER 40 3.142 4.717 3.291 271 H ALA 41 H ALA 41 0.328 5.543 8.270 272 HA ALA 41 HA ALA 41 2.248 7.349 9.695 273 1HB ALA 41 1HB ALA 41 0.537 8.747 8.611 274 2HB ALA 41 2HB ALA 41 -0.752 7.798 9.387 275 3HB ALA 41 3HB ALA 41 0.352 8.779 10.374 276 H VAL 42 H VAL 42 2.374 7.193 11.845 277 HA VAL 42 HA VAL 42 1.177 4.830 13.160 278 HB VAL 42 HB VAL 42 3.303 6.812 14.104 279 1HG1 VAL 42 1HG1 VAL 42 2.445 4.147 15.324 280 2HG1 VAL 42 2HG1 VAL 42 3.860 5.099 15.815 281 3HG1 VAL 42 3HG1 VAL 42 2.248 5.755 16.063 282 1HG2 VAL 42 1HG2 VAL 42 4.089 5.431 12.202 283 2HG2 VAL 42 2HG2 VAL 42 4.885 4.943 13.698 284 3HG2 VAL 42 3HG2 VAL 42 3.557 3.957 13.046 285 H LEU 43 H LEU 43 0.021 4.936 15.045 286 HA LEU 43 HA LEU 43 -1.372 7.483 15.766 287 1HB LEU 43 1HB LEU 43 -2.562 4.698 15.405 288 2HB LEU 43 2HB LEU 43 -3.444 6.130 15.894 289 HG LEU 43 HG LEU 43 -2.041 5.850 13.189 290 1HD1 LEU 43 1HD1 LEU 43 -4.966 5.435 13.847 291 2HD1 LEU 43 2HD1 LEU 43 -4.239 5.461 12.232 292 3HD1 LEU 43 3HD1 LEU 43 -3.808 4.181 13.377 293 1HD2 LEU 43 1HD2 LEU 43 -2.420 8.198 13.927 294 2HD2 LEU 43 2HD2 LEU 43 -3.426 7.754 12.546 295 3HD2 LEU 43 3HD2 LEU 43 -4.137 7.830 14.174 296 H ILE 44 H ILE 44 0.435 7.460 17.291 297 HA ILE 44 HA ILE 44 1.067 5.572 19.186 298 HB ILE 44 HB ILE 44 2.033 7.387 20.523 299 1HG1 ILE 44 1HG1 ILE 44 0.733 9.308 18.535 300 2HG1 ILE 44 2HG1 ILE 44 0.211 9.075 20.205 301 1HG2 ILE 44 1HG2 ILE 44 2.539 7.807 17.547 302 2HG2 ILE 44 2HG2 ILE 44 3.669 8.057 18.890 303 3HG2 ILE 44 3HG2 ILE 44 3.144 6.423 18.488 304 1HD1 ILE 44 1HD1 ILE 44 2.459 9.829 20.995 305 2HD1 ILE 44 2HD1 ILE 44 2.890 10.199 19.306 306 3HD1 ILE 44 3HD1 ILE 44 1.559 11.062 20.090 307 H SER 45 H SER 45 -1.873 7.389 19.340 308 HA SER 45 HA SER 45 -2.592 6.080 21.902 309 1HB SER 45 1HB SER 45 -2.949 9.067 21.406 310 2HB SER 45 2HB SER 45 -3.556 8.163 22.796 311 HG SER 45 HG SER 45 -1.594 9.247 23.269 312 H GLU 46 H GLU 46 -4.904 6.002 22.253 313 HA GLU 46 HA GLU 46 -6.462 5.439 19.945 314 1HB GLU 46 1HB GLU 46 -6.922 4.493 22.123 315 2HB GLU 46 2HB GLU 46 -7.328 6.083 22.792 316 1HG GLU 46 1HG GLU 46 -9.312 6.250 21.486 317 2HG GLU 46 2HG GLU 46 -8.797 4.976 20.381 318 H SER 47 H SER 47 -6.137 8.533 21.730 319 HA SER 47 HA SER 47 -8.282 9.938 20.486 320 1HB SER 47 1HB SER 47 -7.004 11.955 21.074 321 2HB SER 47 2HB SER 47 -7.088 10.795 22.412 322 HG SER 47 HG SER 47 -4.984 11.455 22.295 323 H GLN 48 H GLN 48 -4.956 9.313 19.387 324 HA GLN 48 HA GLN 48 -5.105 11.007 17.033 325 1HB GLN 48 1HB GLN 48 -3.256 8.622 17.443 326 2HB GLN 48 2HB GLN 48 -3.042 9.984 16.352 327 1HG GLN 48 1HG GLN 48 -2.856 9.998 19.385 328 2HG GLN 48 2HG GLN 48 -1.565 10.255 18.222 329 1HE2 GLN 48 1HE2 GLN 48 -4.042 11.838 20.111 330 2HE2 GLN 48 2HE2 GLN 48 -3.786 13.431 19.415 331 H LYS 49 H LYS 49 -5.632 7.520 17.669 332 HA LYS 49 HA LYS 49 -6.196 6.812 14.932 333 1HB LYS 49 1HB LYS 49 -6.201 4.753 15.781 334 2HB LYS 49 2HB LYS 49 -5.897 5.452 17.358 335 1HG LYS 49 1HG LYS 49 -8.353 5.467 17.807 336 2HG LYS 49 2HG LYS 49 -8.626 4.697 16.234 337 1HD LYS 49 1HD LYS 49 -7.343 2.745 16.942 338 2HD LYS 49 2HD LYS 49 -6.917 3.536 18.479 339 1HE LYS 49 1HE LYS 49 -9.437 3.755 18.888 340 2HE LYS 49 2HE LYS 49 -9.673 2.650 17.523 341 1HZ LYS 49 1HZ LYS 49 -8.146 2.023 20.001 342 2HZ LYS 49 2HZ LYS 49 -9.638 1.508 19.689 343 3HZ LYS 49 3HZ LYS 49 -8.403 0.956 18.766 344 H LEU 50 H LEU 50 -8.359 7.755 17.572 345 HA LEU 50 HA LEU 50 -10.788 7.620 16.062 346 1HB LEU 50 1HB LEU 50 -10.003 9.201 18.555 347 2HB LEU 50 2HB LEU 50 -11.639 9.190 17.893 348 HG LEU 50 HG LEU 50 -10.146 6.719 18.884 349 1HD1 LEU 50 1HD1 LEU 50 -12.540 8.175 20.063 350 2HD1 LEU 50 2HD1 LEU 50 -11.772 6.700 20.698 351 3HD1 LEU 50 3HD1 LEU 50 -10.877 8.235 20.700 352 1HD2 LEU 50 1HD2 LEU 50 -12.346 5.602 18.719 353 2HD2 LEU 50 2HD2 LEU 50 -12.988 7.024 17.855 354 3HD2 LEU 50 3HD2 LEU 50 -11.687 6.028 17.153 355 H ALA 51 H ALA 51 -8.499 10.361 16.444 356 HA ALA 51 HA ALA 51 -10.137 12.126 14.820 357 1HB ALA 51 1HB ALA 51 -8.478 12.955 16.466 358 2HB ALA 51 2HB ALA 51 -7.162 12.217 15.527 359 3HB ALA 51 3HB ALA 51 -8.109 13.553 14.837 360 H HIS 52 H HIS 52 -7.262 10.099 14.040 361 HA HIS 52 HA HIS 52 -7.014 10.926 11.344 362 1HB HIS 52 1HB HIS 52 -5.299 9.730 12.685 363 2HB HIS 52 2HB HIS 52 -6.256 8.250 12.585 364 HD1 HIS 52 HD1 HIS 52 -3.711 10.241 10.654 365 HD2 HIS 52 HD2 HIS 52 -6.571 7.228 9.953 366 HE1 HIS 52 HE1 HIS 52 -3.181 9.251 8.348 367 H TYR 53 H TYR 53 -8.745 7.995 12.625 368 HA TYR 53 HA TYR 53 -9.584 7.209 9.982 369 1HB TYR 53 1HB TYR 53 -10.529 6.366 12.730 370 2HB TYR 53 2HB TYR 53 -11.082 5.625 11.232 371 HD1 TYR 53 HD1 TYR 53 -8.900 5.033 13.842 372 HD2 TYR 53 HD2 TYR 53 -8.951 5.073 9.541 373 HE1 TYR 53 HE1 TYR 53 -6.943 3.505 13.809 374 HE2 TYR 53 HE2 TYR 53 -6.977 3.550 9.508 375 HH TYR 53 HH TYR 53 -5.497 2.345 12.544 376 H GLN 54 H GLN 54 -10.964 9.584 12.146 377 HA GLN 54 HA GLN 54 -13.544 9.623 10.658 378 1HB GLN 54 1HB GLN 54 -12.454 11.264 12.977 379 2HB GLN 54 2HB GLN 54 -14.003 11.573 12.192 380 1HG GLN 54 1HG GLN 54 -14.782 9.301 12.763 381 2HG GLN 54 2HG GLN 54 -13.275 8.985 13.624 382 1HE2 GLN 54 1HE2 GLN 54 -12.761 10.608 15.415 383 2HE2 GLN 54 2HE2 GLN 54 -14.144 11.289 16.311 384 H SER 55 H SER 55 -10.408 11.088 10.404 385 HA SER 55 HA SER 55 -11.050 13.660 9.425 386 1HB SER 55 1HB SER 55 -8.808 13.010 10.154 387 2HB SER 55 2HB SER 55 -8.657 11.902 8.773 388 HG SER 55 HG SER 55 -7.728 14.093 8.537 389 H ARG 56 H ARG 56 -11.414 14.551 7.477 390 HA ARG 56 HA ARG 56 -12.518 12.997 5.318 391 1HB ARG 56 1HB ARG 56 -13.059 15.414 5.955 392 2HB ARG 56 2HB ARG 56 -11.522 15.878 5.232 393 1HG ARG 56 1HG ARG 56 -13.330 16.294 3.684 394 2HG ARG 56 2HG ARG 56 -12.318 15.007 3.024 395 1HD ARG 56 1HD ARG 56 -13.937 13.311 3.663 396 2HD ARG 56 2HD ARG 56 -14.880 14.469 4.599 397 HE ARG 56 HE ARG 56 -14.847 14.101 1.678 398 1HH1 ARG 56 1HH1 ARG 56 -15.891 16.277 4.228 399 2HH1 ARG 56 2HH1 ARG 56 -17.090 17.027 3.211 400 1HH2 ARG 56 1HH2 ARG 56 -16.389 15.113 0.447 401 2HH2 ARG 56 2HH2 ARG 56 -17.355 16.385 1.132 402 H LYS 57 H LYS 57 -9.276 14.200 5.969 403 HA LYS 57 HA LYS 57 -8.177 13.738 3.344 404 1HB LYS 57 1HB LYS 57 -7.100 15.189 5.038 405 2HB LYS 57 2HB LYS 57 -6.810 13.792 6.073 406 1HG LYS 57 1HG LYS 57 -4.782 14.452 4.890 407 2HG LYS 57 2HG LYS 57 -5.273 12.828 4.413 408 1HD LYS 57 1HD LYS 57 -6.206 13.710 2.291 409 2HD LYS 57 2HD LYS 57 -5.805 15.368 2.798 410 1HE LYS 57 1HE LYS 57 -3.400 14.741 2.880 411 2HE LYS 57 2HE LYS 57 -3.810 13.091 2.391 412 1HZ LYS 57 1HZ LYS 57 -4.675 14.000 0.295 413 2HZ LYS 57 2HZ LYS 57 -4.288 15.523 0.748 414 3HZ LYS 57 3HZ LYS 57 -3.111 14.426 0.487 415 H HIS 58 H HIS 58 -8.446 11.633 6.228 416 HA HIS 58 HA HIS 58 -7.030 9.369 5.149 417 1HB HIS 58 1HB HIS 58 -7.488 9.464 7.499 418 2HB HIS 58 2HB HIS 58 -9.226 9.600 7.234 419 HD2 HIS 58 HD2 HIS 58 -10.616 7.400 6.741 420 HE1 HIS 58 HE1 HIS 58 -7.433 4.588 7.084 421 HE2 HIS 58 HE2 HIS 58 -9.956 4.850 6.882 422 H ALA 59 H ALA 59 -10.554 10.182 5.080 423 HA ALA 59 HA ALA 59 -11.347 7.923 3.545 424 1HB ALA 59 1HB ALA 59 -12.563 10.715 3.636 425 2HB ALA 59 2HB ALA 59 -13.368 9.234 3.072 426 3HB ALA 59 3HB ALA 59 -12.891 9.382 4.775 427 H ASN 60 H ASN 60 -10.214 11.159 2.428 428 HA ASN 60 HA ASN 60 -10.544 10.674 -0.377 429 1HB ASN 60 1HB ASN 60 -10.207 12.911 0.620 430 2HB ASN 60 2HB ASN 60 -8.580 12.464 1.130 431 1HD2 ASN 60 1HD2 ASN 60 -10.616 13.158 -1.708 432 2HD2 ASN 60 2HD2 ASN 60 -9.255 13.449 -2.779 433 H LYS 61 H LYS 61 -7.733 10.092 1.791 434 HA LYS 61 HA LYS 61 -5.989 9.018 -0.211 435 1HB LYS 61 1HB LYS 61 -5.835 9.611 2.542 436 2HB LYS 61 2HB LYS 61 -5.619 7.874 2.491 437 1HG LYS 61 1HG LYS 61 -4.021 9.929 0.890 438 2HG LYS 61 2HG LYS 61 -3.514 9.175 2.407 439 1HD LYS 61 1HD LYS 61 -3.635 6.933 1.286 440 2HD LYS 61 2HD LYS 61 -3.947 7.744 -0.259 441 1HE LYS 61 1HE LYS 61 -1.819 8.878 -0.196 442 2HE LYS 61 2HE LYS 61 -1.557 8.427 1.493 443 1HZ LYS 61 1HZ LYS 61 -0.280 7.004 -0.000 444 2HZ LYS 61 2HZ LYS 61 -1.377 6.127 0.840 445 3HZ LYS 61 3HZ LYS 61 -1.639 6.481 -0.747 446 H VAL 62 H VAL 62 -8.343 7.395 1.946 447 HA VAL 62 HA VAL 62 -7.836 4.714 1.019 448 HB VAL 62 HB VAL 62 -10.272 5.982 2.316 449 1HG1 VAL 62 1HG1 VAL 62 -9.783 3.038 1.672 450 2HG1 VAL 62 2HG1 VAL 62 -11.037 3.649 2.771 451 3HG1 VAL 62 3HG1 VAL 62 -11.111 4.049 1.057 452 1HG2 VAL 62 1HG2 VAL 62 -8.185 5.737 3.707 453 2HG2 VAL 62 2HG2 VAL 62 -9.518 4.729 4.276 454 3HG2 VAL 62 3HG2 VAL 62 -8.186 4.005 3.349 455 H ARG 63 H ARG 63 -10.165 7.207 -0.178 456 HA ARG 63 HA ARG 63 -11.324 5.563 -2.223 457 1HB ARG 63 1HB ARG 63 -11.072 8.545 -1.881 458 2HB ARG 63 2HB ARG 63 -11.785 7.821 -3.336 459 1HG ARG 63 1HG ARG 63 -13.406 6.550 -1.982 460 2HG ARG 63 2HG ARG 63 -12.672 7.150 -0.493 461 1HD ARG 63 1HD ARG 63 -14.630 8.399 -0.874 462 2HD ARG 63 2HD ARG 63 -13.235 9.461 -1.173 463 HE ARG 63 HE ARG 63 -14.032 8.303 -3.651 464 1HH1 ARG 63 1HH1 ARG 63 -15.388 10.596 -1.379 465 2HH1 ARG 63 2HH1 ARG 63 -16.319 11.406 -2.611 466 1HH2 ARG 63 1HH2 ARG 63 -15.234 9.386 -5.175 467 2HH2 ARG 63 2HH2 ARG 63 -16.227 10.732 -4.701 468 H ARG 64 H ARG 64 -8.438 7.665 -2.331 469 HA ARG 64 HA ARG 64 -7.752 7.144 -5.102 470 1HB ARG 64 1HB ARG 64 -6.105 8.022 -2.684 471 2HB ARG 64 2HB ARG 64 -5.409 7.846 -4.287 472 1HG ARG 64 1HG ARG 64 -7.737 9.714 -3.663 473 2HG ARG 64 2HG ARG 64 -6.034 10.186 -3.668 474 1HD ARG 64 1HD ARG 64 -5.865 9.428 -6.052 475 2HD ARG 64 2HD ARG 64 -7.615 9.124 -6.045 476 HE ARG 64 HE ARG 64 -7.205 11.781 -5.154 477 1HH1 ARG 64 1HH1 ARG 64 -6.787 10.007 -8.148 478 2HH1 ARG 64 2HH1 ARG 64 -6.988 11.433 -9.128 479 1HH2 ARG 64 1HH2 ARG 64 -7.448 13.562 -6.467 480 2HH2 ARG 64 2HH2 ARG 64 -7.356 13.387 -8.195 481 H TYR 65 H TYR 65 -6.698 5.551 -2.081 482 HA TYR 65 HA TYR 65 -4.970 3.617 -3.303 483 1HB TYR 65 1HB TYR 65 -4.901 4.246 -0.946 484 2HB TYR 65 2HB TYR 65 -6.521 3.624 -0.684 485 HD1 TYR 65 HD1 TYR 65 -6.917 1.306 -0.243 486 HD2 TYR 65 HD2 TYR 65 -3.008 2.649 -1.479 487 HE1 TYR 65 HE1 TYR 65 -5.970 -0.922 0.342 488 HE2 TYR 65 HE2 TYR 65 -2.060 0.417 -0.888 489 HH TYR 65 HH TYR 65 -4.093 -2.239 0.397 490 H MET 66 H MET 66 -8.469 3.403 -2.458 491 HA MET 66 HA MET 66 -8.843 0.680 -3.196 492 1HB MET 66 1HB MET 66 -10.709 3.072 -3.040 493 2HB MET 66 2HB MET 66 -11.286 1.479 -3.542 494 1HG MET 66 1HG MET 66 -9.782 1.952 -0.949 495 2HG MET 66 2HG MET 66 -11.538 1.988 -1.074 496 1HE MET 66 1HE MET 66 -8.757 -0.033 0.105 497 2HE MET 66 2HE MET 66 -10.254 0.217 1.040 498 3HE MET 66 3HE MET 66 -9.748 -1.427 0.585 499 H ALA 67 H ALA 67 -8.815 3.619 -5.230 500 HA ALA 67 HA ALA 67 -9.851 2.392 -7.602 501 1HB ALA 67 1HB ALA 67 -9.796 4.835 -7.169 502 2HB ALA 67 2HB ALA 67 -8.021 4.810 -7.304 503 3HB ALA 67 3HB ALA 67 -9.025 4.408 -8.709 504 H ILE 68 H ILE 68 -6.707 2.082 -6.123 505 HA ILE 68 HA ILE 68 -5.174 1.462 -8.506 506 HB ILE 68 HB ILE 68 -4.642 0.737 -5.596 507 1HG1 ILE 68 1HG1 ILE 68 -3.687 3.143 -7.231 508 2HG1 ILE 68 2HG1 ILE 68 -4.903 3.197 -5.963 509 1HG2 ILE 68 1HG2 ILE 68 -3.265 -0.609 -7.138 510 2HG2 ILE 68 2HG2 ILE 68 -2.710 0.877 -7.944 511 3HG2 ILE 68 3HG2 ILE 68 -2.288 0.538 -6.249 512 1HD1 ILE 68 1HD1 ILE 68 -2.923 4.019 -4.995 513 2HD1 ILE 68 2HD1 ILE 68 -3.171 2.396 -4.315 514 3HD1 ILE 68 3HD1 ILE 68 -1.951 2.664 -5.587 515 H ASN 69 H ASN 69 -7.288 -0.397 -6.389 516 HA ASN 69 HA ASN 69 -6.490 -3.037 -7.291 517 1HB ASN 69 1HB ASN 69 -7.488 -2.586 -5.069 518 2HB ASN 69 2HB ASN 69 -8.978 -2.042 -5.841 519 1HD2 ASN 69 1HD2 ASN 69 -9.946 -3.731 -4.436 520 2HD2 ASN 69 2HD2 ASN 69 -9.948 -5.382 -5.033 521 H GLN 70 H GLN 70 -6.561 -3.147 -9.512 522 HA GLN 70 HA GLN 70 -8.457 -2.118 -11.287 523 1HB GLN 70 1HB GLN 70 -6.764 -4.638 -11.522 524 2HB GLN 70 2HB GLN 70 -7.621 -3.870 -12.864 525 1HG GLN 70 1HG GLN 70 -6.317 -1.783 -12.511 526 2HG GLN 70 2HG GLN 70 -5.393 -2.569 -11.229 527 1HE2 GLN 70 1HE2 GLN 70 -4.767 -1.535 -14.156 528 2HE2 GLN 70 2HE2 GLN 70 -3.831 -2.880 -14.795 529 H GLY 71 H GLY 71 -10.422 -2.680 -12.062 530 1HA GLY 71 1HA GLY 71 -11.675 -5.126 -12.324 531 2HA GLY 71 2HA GLY 71 -12.033 -4.647 -10.662 532 H GLU 72 H GLU 72 -14.235 -4.809 -11.663 533 HA GLU 72 HA GLU 72 -15.252 -2.710 -13.397 534 1HB GLU 72 1HB GLU 72 -16.566 -4.836 -11.675 535 2HB GLU 72 2HB GLU 72 -17.447 -3.792 -12.791 536 1HG GLU 72 1HG GLU 72 -15.167 -5.538 -13.788 537 2HG GLU 72 2HG GLU 72 -16.785 -6.166 -13.565 538 H ASP 73 H ASP 73 -13.932 -1.442 -11.238 539 HA ASP 73 HA ASP 73 -15.516 -0.720 -9.034 540 1HB ASP 73 1HB ASP 73 -13.903 0.873 -8.527 541 2HB ASP 73 2HB ASP 73 -13.027 -0.402 -9.353 542 H SER 74 H SER 74 -16.036 0.355 -12.255 543 HA SER 74 HA SER 74 -17.182 2.933 -11.837 544 1HB SER 74 1HB SER 74 -17.861 0.879 -13.976 545 2HB SER 74 2HB SER 74 -18.166 2.624 -14.049 546 HG SER 74 HG SER 74 -16.253 2.042 -15.174 547 H VAL 75 H VAL 75 -18.422 -0.124 -10.888 548 HA VAL 75 HA VAL 75 -21.100 1.017 -10.288 549 HB VAL 75 HB VAL 75 -22.120 -1.206 -10.934 550 1HG1 VAL 75 1HG1 VAL 75 -22.359 0.817 -12.337 551 2HG1 VAL 75 2HG1 VAL 75 -20.915 0.337 -13.255 552 3HG1 VAL 75 3HG1 VAL 75 -22.367 -0.684 -13.279 553 1HG2 VAL 75 1HG2 VAL 75 -21.057 -2.655 -12.509 554 2HG2 VAL 75 2HG2 VAL 75 -19.587 -1.656 -12.551 555 3HG2 VAL 75 3HG2 VAL 75 -20.018 -2.548 -11.078 556 HA PRO 76 HA PRO 76 -20.402 -1.001 -6.393 557 1HB PRO 76 1HB PRO 76 -22.882 -1.212 -5.317 558 2HB PRO 76 2HB PRO 76 -22.147 0.367 -5.704 559 1HG PRO 76 1HG PRO 76 -24.083 -1.226 -7.421 560 2HG PRO 76 2HG PRO 76 -24.207 0.493 -6.924 561 1HD PRO 76 1HD PRO 76 -23.157 -0.256 -9.323 562 2HD PRO 76 2HD PRO 76 -22.520 1.146 -8.421 563 H ALA 77 H ALA 77 -19.679 -2.840 -7.961 564 HA ALA 77 HA ALA 77 -20.993 -5.383 -7.138 565 1HB ALA 77 1HB ALA 77 -20.177 -4.683 -9.993 566 2HB ALA 77 2HB ALA 77 -20.884 -6.218 -9.445 567 3HB ALA 77 3HB ALA 77 -21.851 -4.736 -9.392 568 H LYS 78 H LYS 78 -19.573 -7.281 -7.871 569 HA LYS 78 HA LYS 78 -16.954 -7.070 -6.631 570 1HB LYS 78 1HB LYS 78 -18.179 -9.327 -8.275 571 2HB LYS 78 2HB LYS 78 -16.790 -9.471 -7.210 572 1HG LYS 78 1HG LYS 78 -19.670 -8.950 -6.351 573 2HG LYS 78 2HG LYS 78 -18.759 -10.441 -6.220 574 1HD LYS 78 1HD LYS 78 -18.619 -9.676 -4.072 575 2HD LYS 78 2HD LYS 78 -17.096 -9.072 -4.729 576 1HE LYS 78 1HE LYS 78 -18.172 -6.826 -5.055 577 2HE LYS 78 2HE LYS 78 -19.694 -7.479 -4.439 578 1HZ LYS 78 1HZ LYS 78 -18.585 -7.887 -2.311 579 2HZ LYS 78 2HZ LYS 78 -17.170 -7.296 -2.875 580 3HZ LYS 78 3HZ LYS 78 -18.460 -6.310 -2.703 581 H LYS 79 H LYS 79 -15.015 -8.036 -7.651 582 HA LYS 79 HA LYS 79 -13.900 -6.439 -9.655 583 1HB LYS 79 1HB LYS 79 -12.677 -7.796 -7.989 584 2HB LYS 79 2HB LYS 79 -13.139 -9.274 -8.840 585 1HG LYS 79 1HG LYS 79 -11.865 -8.519 -10.838 586 2HG LYS 79 2HG LYS 79 -11.388 -7.046 -9.989 587 1HD LYS 79 1HD LYS 79 -10.786 -9.859 -8.973 588 2HD LYS 79 2HD LYS 79 -9.696 -8.999 -10.050 589 1HE LYS 79 1HE LYS 79 -10.596 -7.766 -7.419 590 2HE LYS 79 2HE LYS 79 -9.270 -8.929 -7.474 591 1HZ LYS 79 1HZ LYS 79 -8.050 -7.488 -8.929 592 2HZ LYS 79 2HZ LYS 79 -9.292 -6.442 -9.101 593 3HZ LYS 79 3HZ LYS 79 -8.538 -6.567 -7.666 594 H PHE 80 H PHE 80 -15.631 -9.477 -10.113 595 HA PHE 80 HA PHE 80 -15.699 -9.049 -13.061 596 1HB PHE 80 1HB PHE 80 -15.278 -11.744 -11.712 597 2HB PHE 80 2HB PHE 80 -15.354 -11.434 -13.437 598 HD1 PHE 80 HD1 PHE 80 -13.164 -12.025 -10.743 599 HD2 PHE 80 HD2 PHE 80 -13.521 -9.679 -14.347 600 HE1 PHE 80 HE1 PHE 80 -10.692 -11.828 -10.862 601 HE2 PHE 80 HE2 PHE 80 -11.048 -9.470 -14.451 602 HZ PHE 80 HZ PHE 80 -9.631 -10.548 -12.713 603 H LYS 81 H LYS 81 -17.504 -10.116 -14.099 604 HA LYS 81 HA LYS 81 -19.913 -10.477 -12.344 605 1HB LYS 81 1HB LYS 81 -19.588 -9.411 -15.160 606 2HB LYS 81 2HB LYS 81 -21.122 -10.072 -14.598 607 1HG LYS 81 1HG LYS 81 -21.198 -7.733 -14.396 608 2HG LYS 81 2HG LYS 81 -21.242 -8.448 -12.785 609 1HD LYS 81 1HD LYS 81 -18.944 -7.820 -12.363 610 2HD LYS 81 2HD LYS 81 -18.705 -7.318 -14.049 611 1HE LYS 81 1HE LYS 81 -20.756 -6.064 -12.187 612 2HE LYS 81 2HE LYS 81 -19.078 -5.498 -12.278 613 1HZ LYS 81 1HZ LYS 81 -20.421 -4.187 -13.759 614 2HZ LYS 81 2HZ LYS 81 -19.443 -5.108 -14.687 615 3HZ LYS 81 3HZ LYS 81 -21.055 -5.483 -14.499 616 H ALA 82 H ALA 82 -18.827 -12.585 -11.942 617 HA ALA 82 HA ALA 82 -18.806 -14.674 -13.899 618 1HB ALA 82 1HB ALA 82 -18.494 -16.130 -11.936 619 2HB ALA 82 2HB ALA 82 -17.482 -14.680 -11.813 620 3HB ALA 82 3HB ALA 82 -18.979 -14.806 -10.856 621 H ALA 83 H ALA 83 -21.488 -13.198 -12.416 622 HA ALA 83 HA ALA 83 -23.380 -15.216 -13.433 623 1HB ALA 83 1HB ALA 83 -24.628 -15.134 -11.257 624 2HB ALA 83 2HB ALA 83 -23.005 -15.813 -11.056 625 3HB ALA 83 3HB ALA 83 -23.336 -14.136 -10.567 626 HA PRO 84 HA PRO 84 -25.443 -11.517 -14.765 627 1HB PRO 84 1HB PRO 84 -28.115 -12.142 -14.723 628 2HB PRO 84 2HB PRO 84 -26.944 -12.812 -15.894 629 1HG PRO 84 1HG PRO 84 -27.939 -14.085 -13.330 630 2HG PRO 84 2HG PRO 84 -27.804 -14.823 -14.958 631 1HD PRO 84 1HD PRO 84 -25.904 -15.191 -13.054 632 2HD PRO 84 2HD PRO 84 -25.460 -15.018 -14.775 633 H ALA 85 H ALA 85 -24.984 -9.949 -13.341 634 HA ALA 85 HA ALA 85 -26.959 -9.265 -11.222 635 1HB ALA 85 1HB ALA 85 -25.117 -8.863 -9.635 636 2HB ALA 85 2HB ALA 85 -25.094 -10.545 -10.190 637 3HB ALA 85 3HB ALA 85 -23.929 -9.377 -10.855 638 H GLU 86 H GLU 86 -26.064 -8.196 -14.008 639 HA GLU 86 HA GLU 86 -24.884 -5.600 -13.631 640 1HB GLU 86 1HB GLU 86 -26.612 -6.762 -15.854 641 2HB GLU 86 2HB GLU 86 -25.791 -5.211 -15.966 642 1HG GLU 86 1HG GLU 86 -24.276 -7.813 -15.488 643 2HG GLU 86 2HG GLU 86 -24.694 -7.224 -17.088 644 H ILE 87 H ILE 87 -25.824 -3.540 -13.915 645 HA ILE 87 HA ILE 87 -28.727 -3.238 -13.376 646 HB ILE 87 HB ILE 87 -26.819 -1.377 -11.955 647 1HG1 ILE 87 1HG1 ILE 87 -27.457 -2.811 -9.833 648 2HG1 ILE 87 2HG1 ILE 87 -27.577 -4.145 -10.959 649 1HG2 ILE 87 1HG2 ILE 87 -29.285 -0.884 -12.188 650 2HG2 ILE 87 2HG2 ILE 87 -29.625 -2.388 -11.312 651 3HG2 ILE 87 3HG2 ILE 87 -28.768 -1.053 -10.511 652 1HD1 ILE 87 1HD1 ILE 87 -25.127 -2.368 -10.476 653 2HD1 ILE 87 2HD1 ILE 87 -25.362 -4.012 -9.858 654 3HD1 ILE 87 3HD1 ILE 87 -25.158 -3.746 -11.594 655 H SER 88 H SER 88 -27.481 -3.181 -15.830 656 HA SER 88 HA SER 88 -27.533 -0.312 -16.686 657 1HB SER 88 1HB SER 88 -26.023 -1.028 -18.506 658 2HB SER 88 2HB SER 88 -25.333 -1.288 -16.894 659 HG SER 88 HG SER 88 -25.057 -3.111 -18.290 660 H ASP 89 H ASP 89 -29.355 -3.109 -16.876 661 HA ASP 89 HA ASP 89 -30.868 -2.116 -19.241 662 1HB ASP 89 1HB ASP 89 -29.286 -3.987 -19.869 663 2HB ASP 89 2HB ASP 89 -30.154 -5.034 -18.749 664 H GLY 90 H GLY 90 -31.052 -2.272 -16.157 665 1HA GLY 90 1HA GLY 90 -33.811 -2.243 -15.745 666 2HA GLY 90 2HA GLY 90 -33.267 -3.883 -15.348 667 H GLU 91 H GLU 91 -34.221 -2.777 -13.206 668 HA GLU 91 HA GLU 91 -31.881 -2.059 -11.541 669 1HB GLU 91 1HB GLU 91 -32.907 0.074 -12.333 670 2HB GLU 91 2HB GLU 91 -34.440 -0.403 -11.601 671 1HG GLU 91 1HG GLU 91 -33.425 -0.366 -9.367 672 2HG GLU 91 2HG GLU 91 -31.830 -0.075 -10.064 673 H ASP 92 H ASP 92 -32.071 -2.666 -9.374 674 HA ASP 92 HA ASP 92 -33.688 -4.921 -8.757 675 1HB ASP 92 1HB ASP 92 -31.566 -4.485 -7.669 676 2HB ASP 92 2HB ASP 92 -32.140 -2.946 -7.036 677 H ARG 93 H ARG 93 -34.041 -1.532 -7.649 678 HA ARG 93 HA ARG 93 -36.440 -1.967 -6.136 679 1HB ARG 93 1HB ARG 93 -35.261 0.609 -7.261 680 2HB ARG 93 2HB ARG 93 -36.544 0.520 -6.058 681 1HG ARG 93 1HG ARG 93 -33.668 -0.420 -5.679 682 2HG ARG 93 2HG ARG 93 -34.449 0.996 -4.971 683 1HD ARG 93 1HD ARG 93 -36.113 -0.632 -3.895 684 2HD ARG 93 2HD ARG 93 -35.018 -1.934 -4.357 685 HE ARG 93 HE ARG 93 -34.541 0.240 -2.380 686 1HH1 ARG 93 1HH1 ARG 93 -33.189 -2.729 -3.803 687 2HH1 ARG 93 2HH1 ARG 93 -31.930 -2.761 -2.603 688 1HH2 ARG 93 1HH2 ARG 93 -32.930 0.037 -0.906 689 2HH2 ARG 93 2HH2 ARG 93 -31.807 -1.285 -1.012 690 H SER 94 H SER 94 -36.210 -1.831 -9.539 691 HA SER 94 HA SER 94 -39.037 -0.932 -9.789 692 1HB SER 94 1HB SER 94 -38.680 -0.701 -12.113 693 2HB SER 94 2HB SER 94 -37.367 0.114 -11.259 694 HG SER 94 HG SER 94 -36.648 -1.167 -13.042 695 H LYS 95 H LYS 95 -37.491 -3.795 -9.213 696 HA LYS 95 HA LYS 95 -39.782 -5.397 -10.288 697 1HB LYS 95 1HB LYS 95 -36.805 -5.976 -10.560 698 2HB LYS 95 2HB LYS 95 -38.011 -7.239 -10.714 699 1HG LYS 95 1HG LYS 95 -37.881 -4.741 -12.465 700 2HG LYS 95 2HG LYS 95 -37.223 -6.309 -12.899 701 1HD LYS 95 1HD LYS 95 -40.185 -5.794 -12.359 702 2HD LYS 95 2HD LYS 95 -39.434 -5.817 -13.951 703 1HE LYS 95 1HE LYS 95 -38.802 -8.137 -13.742 704 2HE LYS 95 2HE LYS 95 -39.277 -8.183 -12.040 705 1HZ LYS 95 1HZ LYS 95 -41.551 -7.909 -12.647 706 2HZ LYS 95 2HZ LYS 95 -41.206 -7.699 -14.244 707 3HZ LYS 95 3HZ LYS 95 -40.962 -9.150 -13.530 708 H CYS 96 H CYS 96 -37.668 -4.774 -7.624 709 HA CYS 96 HA CYS 96 -39.134 -6.764 -6.000 710 1HB CYS 96 1HB CYS 96 -37.046 -7.799 -6.838 711 2HB CYS 96 2HB CYS 96 -36.104 -6.472 -6.137 712 HG CYS 96 HG CYS 96 -38.174 -8.505 -4.490 713 H CYS 97 H CYS 97 -38.995 -6.417 -3.757 714 HA CYS 97 HA CYS 97 -38.220 -3.716 -2.775 715 1HB CYS 97 1HB CYS 97 -40.576 -3.587 -3.303 716 2HB CYS 97 2HB CYS 97 -40.899 -5.088 -2.435 717 HA PRO 98 HA PRO 98 -36.621 -7.172 -0.145 718 1HB PRO 98 1HB PRO 98 -34.367 -5.903 0.817 719 2HB PRO 98 2HB PRO 98 -34.460 -6.737 -0.762 720 1HG PRO 98 1HG PRO 98 -34.776 -3.777 -0.199 721 2HG PRO 98 2HG PRO 98 -33.789 -4.570 -1.469 722 1HD PRO 98 1HD PRO 98 -36.248 -3.552 -1.992 723 2HD PRO 98 2HD PRO 98 -35.698 -5.065 -2.771 724 H VAL 99 H VAL 99 -37.404 -3.841 0.678 725 HA VAL 99 HA VAL 99 -37.314 -3.986 3.533 726 HB VAL 99 HB VAL 99 -39.275 -2.396 1.827 727 1HG1 VAL 99 1HG1 VAL 99 -39.863 -2.379 4.231 728 2HG1 VAL 99 2HG1 VAL 99 -38.193 -1.911 4.639 729 3HG1 VAL 99 3HG1 VAL 99 -39.247 -0.808 3.726 730 1HG2 VAL 99 1HG2 VAL 99 -36.990 -1.865 1.084 731 2HG2 VAL 99 2HG2 VAL 99 -37.641 -0.525 2.029 732 3HG2 VAL 99 3HG2 VAL 99 -36.474 -1.640 2.771 733 H CYS 100 H CYS 100 -39.753 -5.026 1.196 734 HA CYS 100 HA CYS 100 -41.506 -6.121 3.356 735 1HB CYS 100 1HB CYS 100 -42.040 -5.405 0.445 736 2HB CYS 100 2HB CYS 100 -43.183 -6.118 1.560 737 H ASN 101 H ASN 101 -39.214 -7.085 1.205 738 HA ASN 101 HA ASN 101 -38.447 -8.938 0.218 739 1HB ASN 101 1HB ASN 101 -38.289 -9.583 2.613 740 2HB ASN 101 2HB ASN 101 -39.865 -10.370 2.493 741 1HD2 ASN 101 1HD2 ASN 101 -38.964 -12.441 3.033 742 2HD2 ASN 101 2HD2 ASN 101 -37.956 -13.303 1.880 743 H MET 102 H MET 102 -40.070 -8.112 -1.389 744 HA MET 102 HA MET 102 -41.537 -10.403 -2.553 745 1HB MET 102 1HB MET 102 -43.590 -8.960 -2.885 746 2HB MET 102 2HB MET 102 -43.276 -9.471 -1.231 747 1HG MET 102 1HG MET 102 -42.316 -7.292 -0.684 748 2HG MET 102 2HG MET 102 -42.555 -6.729 -2.337 749 1HE MET 102 1HE MET 102 -44.438 -5.278 -2.908 750 2HE MET 102 2HE MET 102 -45.061 -6.858 -3.449 751 3HE MET 102 3HE MET 102 -46.132 -5.721 -2.591 752 H THR 103 H THR 103 -42.507 -9.773 -4.737 753 HA THR 103 HA THR 103 -40.713 -7.951 -6.287 754 HB THR 103 HB THR 103 -40.759 -9.638 -8.110 755 HG1 THR 103 HG1 THR 103 -41.353 -11.749 -7.549 756 1HG2 THR 103 1HG2 THR 103 -38.816 -9.500 -6.581 757 2HG2 THR 103 2HG2 THR 103 -39.567 -10.712 -5.518 758 3HG2 THR 103 3HG2 THR 103 -39.092 -11.143 -7.175 759 H PHE 104 H PHE 104 -41.525 -7.546 -8.520 760 HA PHE 104 HA PHE 104 -44.510 -7.233 -8.587 761 1HB PHE 104 1HB PHE 104 -42.560 -5.131 -9.573 762 2HB PHE 104 2HB PHE 104 -44.291 -5.003 -9.382 763 HD1 PHE 104 HD1 PHE 104 -45.292 -5.041 -7.019 764 HD2 PHE 104 HD2 PHE 104 -41.081 -4.555 -7.790 765 HE1 PHE 104 HE1 PHE 104 -44.993 -4.031 -4.775 766 HE2 PHE 104 HE2 PHE 104 -40.778 -3.551 -5.547 767 HZ PHE 104 HZ PHE 104 -42.738 -3.301 -4.025 768 H SER 105 H SER 105 -45.530 -7.258 -10.568 769 HA SER 105 HA SER 105 -44.335 -8.786 -12.696 770 1HB SER 105 1HB SER 105 -46.520 -8.263 -13.839 771 2HB SER 105 2HB SER 105 -46.663 -9.027 -12.247 772 HG SER 105 HG SER 105 -48.094 -7.239 -12.493 773 H SER 106 H SER 106 -45.012 -5.319 -12.282 774 HA SER 106 HA SER 106 -43.355 -4.658 -14.673 775 1HB SER 106 1HB SER 106 -46.167 -3.654 -14.058 776 2HB SER 106 2HB SER 106 -45.100 -2.907 -15.255 777 HG SER 106 HG SER 106 -46.539 -4.438 -16.192 778 HA PRO 107 HA PRO 107 -41.576 -1.575 -12.075 779 1HB PRO 107 1HB PRO 107 -41.027 0.521 -13.785 780 2HB PRO 107 2HB PRO 107 -40.128 -1.028 -13.756 781 1HG PRO 107 1HG PRO 107 -42.409 -0.253 -15.590 782 2HG PRO 107 2HG PRO 107 -40.824 -0.973 -16.028 783 1HD PRO 107 1HD PRO 107 -43.012 -2.521 -15.768 784 2HD PRO 107 2HD PRO 107 -41.439 -3.086 -15.136 785 H VAL 108 H VAL 108 -44.410 -0.549 -13.933 786 HA VAL 108 HA VAL 108 -44.970 1.892 -12.538 787 HB VAL 108 HB VAL 108 -46.925 -0.051 -13.834 788 1HG1 VAL 108 1HG1 VAL 108 -48.363 1.964 -14.113 789 2HG1 VAL 108 2HG1 VAL 108 -48.119 1.566 -12.413 790 3HG1 VAL 108 3HG1 VAL 108 -47.211 2.909 -13.144 791 1HG2 VAL 108 1HG2 VAL 108 -45.227 0.694 -15.463 792 2HG2 VAL 108 2HG2 VAL 108 -46.773 1.472 -15.796 793 3HG2 VAL 108 3HG2 VAL 108 -45.485 2.384 -14.980 794 H VAL 109 H VAL 109 -45.713 -1.503 -11.778 795 HA VAL 109 HA VAL 109 -47.381 -0.937 -9.462 796 HB VAL 109 HB VAL 109 -45.825 -3.487 -10.070 797 1HG1 VAL 109 1HG1 VAL 109 -48.373 -3.003 -8.459 798 2HG1 VAL 109 2HG1 VAL 109 -47.591 -4.574 -8.742 799 3HG1 VAL 109 3HG1 VAL 109 -46.776 -3.344 -7.770 800 1HG2 VAL 109 1HG2 VAL 109 -47.242 -2.992 -12.022 801 2HG2 VAL 109 2HG2 VAL 109 -47.926 -4.328 -11.100 802 3HG2 VAL 109 3HG2 VAL 109 -48.638 -2.704 -10.960 803 H ALA 110 H ALA 110 -43.924 -1.711 -9.981 804 HA ALA 110 HA ALA 110 -43.141 -1.865 -7.266 805 1HB ALA 110 1HB ALA 110 -40.892 -1.660 -8.131 806 2HB ALA 110 2HB ALA 110 -41.838 -2.633 -9.275 807 3HB ALA 110 3HB ALA 110 -41.474 -0.937 -9.644 808 H GLU 111 H GLU 111 -43.000 1.025 -9.472 809 HA GLU 111 HA GLU 111 -42.001 2.760 -7.402 810 1HB GLU 111 1HB GLU 111 -42.470 4.588 -8.841 811 2HB GLU 111 2HB GLU 111 -41.761 3.271 -9.777 812 1HG GLU 111 1HG GLU 111 -44.026 2.712 -10.642 813 2HG GLU 111 2HG GLU 111 -44.701 4.072 -9.745 814 H SER 112 H SER 112 -45.296 1.994 -8.430 815 HA SER 112 HA SER 112 -46.677 3.879 -6.759 816 1HB SER 112 1HB SER 112 -47.630 1.168 -7.770 817 2HB SER 112 2HB SER 112 -48.646 2.427 -7.048 818 HG SER 112 HG SER 112 -47.288 2.411 -9.521 819 H HIS 113 H HIS 113 -45.553 0.527 -6.102 820 HA HIS 113 HA HIS 113 -46.833 0.219 -3.572 821 1HB HIS 113 1HB HIS 113 -45.895 -1.653 -4.810 822 2HB HIS 113 2HB HIS 113 -44.269 -0.984 -4.684 823 HD1 HIS 113 HD1 HIS 113 -46.865 -2.833 -2.557 824 HD2 HIS 113 HD2 HIS 113 -42.994 -1.195 -2.302 825 HE1 HIS 113 HE1 HIS 113 -45.844 -3.715 -0.388 826 H TYR 114 H TYR 114 -43.508 1.392 -4.331 827 HA TYR 114 HA TYR 114 -42.682 1.853 -1.676 828 1HB TYR 114 1HB TYR 114 -41.752 2.724 -4.373 829 2HB TYR 114 2HB TYR 114 -41.180 3.653 -3.005 830 HD1 TYR 114 HD1 TYR 114 -41.247 0.182 -4.431 831 HD2 TYR 114 HD2 TYR 114 -39.572 2.838 -1.474 832 HE1 TYR 114 HE1 TYR 114 -39.542 -1.540 -3.840 833 HE2 TYR 114 HE2 TYR 114 -37.885 1.112 -0.875 834 HH TYR 114 HH TYR 114 -37.112 -0.988 -1.258 835 H ILE 115 H ILE 115 -45.076 3.689 -3.289 836 HA ILE 115 HA ILE 115 -44.847 5.825 -1.209 837 HB ILE 115 HB ILE 115 -45.884 7.408 -2.737 838 1HG1 ILE 115 1HG1 ILE 115 -45.753 6.954 -5.227 839 2HG1 ILE 115 2HG1 ILE 115 -45.641 5.238 -4.865 840 1HG2 ILE 115 1HG2 ILE 115 -43.906 7.858 -4.046 841 2HG2 ILE 115 2HG2 ILE 115 -43.422 7.215 -2.471 842 3HG2 ILE 115 3HG2 ILE 115 -43.365 6.175 -3.912 843 1HD1 ILE 115 1HD1 ILE 115 -47.922 6.003 -5.510 844 2HD1 ILE 115 2HD1 ILE 115 -47.911 5.281 -3.900 845 3HD1 ILE 115 3HD1 ILE 115 -47.968 7.051 -4.080 846 H GLY 116 H GLY 116 -46.481 3.117 -1.653 847 1HA GLY 116 1HA GLY 116 -49.193 4.152 -0.970 848 2HA GLY 116 2HA GLY 116 -48.787 2.522 -1.489 849 H LYS 117 H LYS 117 -50.401 3.149 0.725 850 HA LYS 117 HA LYS 117 -49.149 3.204 3.235 851 1HB LYS 117 1HB LYS 117 -51.555 3.632 2.782 852 2HB LYS 117 2HB LYS 117 -51.805 1.919 2.458 853 1HG LYS 117 1HG LYS 117 -52.615 2.518 4.659 854 2HG LYS 117 2HG LYS 117 -51.290 1.370 4.806 855 1HD LYS 117 1HD LYS 117 -49.737 3.169 5.429 856 2HD LYS 117 2HD LYS 117 -50.981 4.396 5.160 857 1HE LYS 117 1HE LYS 117 -51.156 2.150 7.225 858 2HE LYS 117 2HE LYS 117 -50.541 3.767 7.571 859 1HZ LYS 117 1HZ LYS 117 -52.716 4.673 6.946 860 2HZ LYS 117 2HZ LYS 117 -53.307 3.175 6.658 861 3HZ LYS 117 3HZ LYS 117 -52.873 3.607 8.168 862 H THR 118 H THR 118 -49.762 0.308 1.250 863 HA THR 118 HA THR 118 -49.253 -1.696 3.178 864 HB THR 118 HB THR 118 -48.391 -1.785 0.261 865 HG1 THR 118 HG1 THR 118 -50.493 -2.537 -0.103 866 1HG2 THR 118 1HG2 THR 118 -49.323 -3.967 2.187 867 2HG2 THR 118 2HG2 THR 118 -48.963 -4.193 0.460 868 3HG2 THR 118 3HG2 THR 118 -47.666 -3.754 1.577 869 H HIS 119 H HIS 119 -46.920 0.180 1.215 870 HA HIS 119 HA HIS 119 -44.558 -1.182 2.224 871 1HB HIS 119 1HB HIS 119 -44.741 0.029 0.065 872 2HB HIS 119 2HB HIS 119 -44.843 1.562 0.936 873 HD2 HIS 119 HD2 HIS 119 -42.551 2.706 1.435 874 HE1 HIS 119 HE1 HIS 119 -39.957 -0.565 0.571 875 HE2 HIS 119 HE2 HIS 119 -40.055 1.910 1.156 876 H ILE 120 H ILE 120 -46.252 1.869 3.066 877 HA ILE 120 HA ILE 120 -44.435 2.717 5.096 878 HB ILE 120 HB ILE 120 -47.359 3.379 4.696 879 1HG1 ILE 120 1HG1 ILE 120 -44.737 4.750 3.897 880 2HG1 ILE 120 2HG1 ILE 120 -45.858 3.946 2.810 881 1HG2 ILE 120 1HG2 ILE 120 -46.702 3.857 7.043 882 2HG2 ILE 120 2HG2 ILE 120 -45.285 4.762 6.465 883 3HG2 ILE 120 3HG2 ILE 120 -46.935 5.344 6.147 884 1HD1 ILE 120 1HD1 ILE 120 -46.210 6.279 2.552 885 2HD1 ILE 120 2HD1 ILE 120 -47.629 5.619 3.388 886 3HD1 ILE 120 3HD1 ILE 120 -46.393 6.534 4.293 887 H LYS 121 H LYS 121 -47.253 0.534 5.341 888 HA LYS 121 HA LYS 121 -47.187 0.189 8.205 889 1HB LYS 121 1HB LYS 121 -48.068 -1.619 5.917 890 2HB LYS 121 2HB LYS 121 -48.202 -2.093 7.616 891 1HG LYS 121 1HG LYS 121 -49.677 -0.232 8.115 892 2HG LYS 121 2HG LYS 121 -49.429 0.472 6.523 893 1HD LYS 121 1HD LYS 121 -51.601 -0.630 6.599 894 2HD LYS 121 2HD LYS 121 -50.538 -1.413 5.438 895 1HE LYS 121 1HE LYS 121 -51.746 -3.124 6.598 896 2HE LYS 121 2HE LYS 121 -50.059 -3.222 7.095 897 1HZ LYS 121 1HZ LYS 121 -52.239 -1.942 8.669 898 2HZ LYS 121 2HZ LYS 121 -51.580 -3.397 8.988 899 3HZ LYS 121 3HZ LYS 121 -50.679 -2.049 9.156 900 H ASN 122 H ASN 122 -45.241 -1.257 5.623 901 HA ASN 122 HA ASN 122 -43.803 -3.049 7.445 902 1HB ASN 122 1HB ASN 122 -43.478 -2.327 4.514 903 2HB ASN 122 2HB ASN 122 -42.279 -3.273 5.388 904 1HD2 ASN 122 1HD2 ASN 122 -45.677 -3.311 4.230 905 2HD2 ASN 122 2HD2 ASN 122 -45.832 -5.045 4.459 906 H LEU 123 H LEU 123 -43.232 0.273 6.154 907 HA LEU 123 HA LEU 123 -40.553 0.568 7.153 908 1HB LEU 123 1HB LEU 123 -42.718 2.719 7.103 909 2HB LEU 123 2HB LEU 123 -40.996 2.976 7.260 910 HG LEU 123 HG LEU 123 -42.410 1.953 4.776 911 1HD1 LEU 123 1HD1 LEU 123 -41.016 4.596 5.339 912 2HD1 LEU 123 2HD1 LEU 123 -41.846 4.126 3.839 913 3HD1 LEU 123 3HD1 LEU 123 -42.773 4.360 5.331 914 1HD2 LEU 123 1HD2 LEU 123 -40.167 1.016 4.852 915 2HD2 LEU 123 2HD2 LEU 123 -40.280 2.300 3.638 916 3HD2 LEU 123 3HD2 LEU 123 -39.483 2.627 5.195 917 H ARG 124 H ARG 124 -43.715 1.155 8.702 918 HA ARG 124 HA ARG 124 -42.746 1.934 11.298 919 1HB ARG 124 1HB ARG 124 -45.395 0.716 10.404 920 2HB ARG 124 2HB ARG 124 -45.083 1.333 12.032 921 1HG ARG 124 1HG ARG 124 -44.641 3.586 11.152 922 2HG ARG 124 2HG ARG 124 -44.834 3.014 9.495 923 1HD ARG 124 1HD ARG 124 -46.877 4.107 10.103 924 2HD ARG 124 2HD ARG 124 -47.192 2.382 9.983 925 HE ARG 124 HE ARG 124 -47.645 2.280 12.264 926 1HH1 ARG 124 1HH1 ARG 124 -46.262 5.445 11.646 927 2HH1 ARG 124 2HH1 ARG 124 -46.675 6.029 13.235 928 1HH2 ARG 124 1HH2 ARG 124 -48.132 3.095 14.268 929 2HH2 ARG 124 2HH2 ARG 124 -47.702 4.730 14.671 930 H LEU 125 H LEU 125 -43.308 -1.269 9.921 931 HA LEU 125 HA LEU 125 -42.957 -2.693 12.435 932 1HB LEU 125 1HB LEU 125 -44.254 -3.596 10.531 933 2HB LEU 125 2HB LEU 125 -42.802 -3.614 9.532 934 HG LEU 125 HG LEU 125 -41.772 -5.309 11.013 935 1HD1 LEU 125 1HD1 LEU 125 -42.873 -4.831 13.157 936 2HD1 LEU 125 2HD1 LEU 125 -44.457 -5.254 12.465 937 3HD1 LEU 125 3HD1 LEU 125 -43.201 -6.496 12.675 938 1HD2 LEU 125 1HD2 LEU 125 -43.092 -5.987 9.043 939 2HD2 LEU 125 2HD2 LEU 125 -43.225 -7.173 10.351 940 3HD2 LEU 125 3HD2 LEU 125 -44.563 -6.044 10.041 941 H ARG 126 H ARG 126 -40.839 -1.973 9.628 942 HA ARG 126 HA ARG 126 -38.444 -3.257 10.563 943 1HB ARG 126 1HB ARG 126 -38.939 -0.909 8.679 944 2HB ARG 126 2HB ARG 126 -37.341 -1.591 8.944 945 1HG ARG 126 1HG ARG 126 -39.675 -3.292 7.965 946 2HG ARG 126 2HG ARG 126 -38.620 -2.382 6.882 947 1HD ARG 126 1HD ARG 126 -36.656 -3.594 7.745 948 2HD ARG 126 2HD ARG 126 -37.706 -4.525 8.838 949 HE ARG 126 HE ARG 126 -38.661 -4.780 6.143 950 1HH1 ARG 126 1HH1 ARG 126 -35.978 -5.947 8.087 951 2HH1 ARG 126 2HH1 ARG 126 -35.783 -7.369 7.099 952 1HH2 ARG 126 1HH2 ARG 126 -38.342 -6.525 4.948 953 2HH2 ARG 126 2HH2 ARG 126 -37.085 -7.684 5.323 954 H GLU 127 H GLU 127 -39.718 -0.015 11.145 955 HA GLU 127 HA GLU 127 -37.458 1.007 12.623 956 1HB GLU 127 1HB GLU 127 -39.219 2.329 11.449 957 2HB GLU 127 2HB GLU 127 -40.396 1.830 12.669 958 1HG GLU 127 1HG GLU 127 -39.179 3.058 14.396 959 2HG GLU 127 2HG GLU 127 -37.835 3.365 13.289 960 H GLN 128 H GLN 128 -39.791 -1.343 13.472 961 HA GLN 128 HA GLN 128 -39.153 -1.170 16.396 962 1HB GLN 128 1HB GLN 128 -41.825 -1.797 15.066 963 2HB GLN 128 2HB GLN 128 -41.483 -1.973 16.791 964 1HG GLN 128 1HG GLN 128 -41.106 0.439 17.021 965 2HG GLN 128 2HG GLN 128 -41.329 0.679 15.284 966 1HE2 GLN 128 1HE2 GLN 128 -43.465 0.157 14.343 967 2HE2 GLN 128 2HE2 GLN 128 -44.892 0.337 15.375 Start of MODEL 18 1 1H ALA 2 1H ALA 2 -4.644 14.609 -16.217 2 HA ALA 2 HA ALA 2 -5.197 17.424 -16.408 3 1HB ALA 2 1HB ALA 2 -7.546 16.669 -16.478 4 2HB ALA 2 2HB ALA 2 -6.527 15.665 -17.526 5 3HB ALA 2 3HB ALA 2 -7.054 15.048 -15.941 6 H ASP 3 H ASP 3 -6.661 18.656 -15.037 7 HA ASP 3 HA ASP 3 -6.974 17.906 -12.214 8 1HB ASP 3 1HB ASP 3 -5.785 19.750 -11.301 9 2HB ASP 3 2HB ASP 3 -4.676 18.910 -12.367 10 H GLU 4 H GLU 4 -8.215 19.523 -10.983 11 HA GLU 4 HA GLU 4 -9.817 21.501 -12.427 12 1HB GLU 4 1HB GLU 4 -11.959 20.543 -11.868 13 2HB GLU 4 2HB GLU 4 -11.075 19.442 -12.901 14 1HG GLU 4 1HG GLU 4 -11.299 19.138 -9.867 15 2HG GLU 4 2HG GLU 4 -12.393 18.398 -11.019 16 H PHE 5 H PHE 5 -11.386 22.612 -10.897 17 HA PHE 5 HA PHE 5 -9.964 23.411 -8.489 18 1HB PHE 5 1HB PHE 5 -11.199 24.986 -9.934 19 2HB PHE 5 2HB PHE 5 -12.709 24.152 -9.582 20 HD1 PHE 5 HD1 PHE 5 -13.991 24.726 -7.641 21 HD2 PHE 5 HD2 PHE 5 -9.915 26.095 -8.000 22 HE1 PHE 5 HE1 PHE 5 -14.292 26.156 -5.632 23 HE2 PHE 5 HE2 PHE 5 -10.220 27.522 -5.989 24 HZ PHE 5 HZ PHE 5 -12.408 27.554 -4.802 25 H GLY 6 H GLY 6 -10.676 23.273 -6.329 26 1HA GLY 6 1HA GLY 6 -13.020 22.042 -5.356 27 2HA GLY 6 2HA GLY 6 -11.776 20.792 -5.447 28 H ASN 7 H ASN 7 -12.701 21.176 -3.046 29 HA ASN 7 HA ASN 7 -10.483 22.320 -1.500 30 1HB ASN 7 1HB ASN 7 -11.827 23.794 -0.171 31 2HB ASN 7 2HB ASN 7 -12.122 24.220 -1.843 32 1HD2 ASN 7 1HD2 ASN 7 -13.665 23.745 1.077 33 2HD2 ASN 7 2HD2 ASN 7 -15.262 23.370 0.452 34 H GLY 8 H GLY 8 -10.837 21.885 0.917 35 1HA GLY 8 1HA GLY 8 -12.660 19.825 1.776 36 2HA GLY 8 2HA GLY 8 -11.053 19.157 1.482 37 H ASP 9 H ASP 9 -12.184 19.040 3.971 38 HA ASP 9 HA ASP 9 -10.277 20.440 5.682 39 1HB ASP 9 1HB ASP 9 -12.196 22.079 5.298 40 2HB ASP 9 2HB ASP 9 -13.274 20.900 6.039 41 H ALA 10 H ALA 10 -10.845 19.806 8.086 42 HA ALA 10 HA ALA 10 -10.879 16.965 8.376 43 1HB ALA 10 1HB ALA 10 -11.371 19.172 10.426 44 2HB ALA 10 2HB ALA 10 -10.947 17.485 10.792 45 3HB ALA 10 3HB ALA 10 -9.783 18.523 9.950 46 H LEU 11 H LEU 11 -12.443 15.666 9.651 47 HA LEU 11 HA LEU 11 -15.264 16.493 9.591 48 1HB LEU 11 1HB LEU 11 -14.060 15.080 7.461 49 2HB LEU 11 2HB LEU 11 -14.784 13.812 8.399 50 HG LEU 11 HG LEU 11 -16.221 14.435 6.599 51 1HD1 LEU 11 1HD1 LEU 11 -17.494 15.602 9.096 52 2HD1 LEU 11 2HD1 LEU 11 -18.313 15.037 7.636 53 3HD1 LEU 11 3HD1 LEU 11 -17.446 13.868 8.623 54 1HD2 LEU 11 1HD2 LEU 11 -15.358 16.739 6.250 55 2HD2 LEU 11 2HD2 LEU 11 -17.127 16.654 6.237 56 3HD2 LEU 11 3HD2 LEU 11 -16.281 17.285 7.665 57 H ASP 12 H ASP 12 -16.504 14.526 10.210 58 HA ASP 12 HA ASP 12 -15.455 12.793 12.365 59 1HB ASP 12 1HB ASP 12 -16.326 14.864 13.439 60 2HB ASP 12 2HB ASP 12 -17.874 14.630 12.628 61 H LEU 13 H LEU 13 -15.722 12.019 9.898 62 HA LEU 13 HA LEU 13 -18.222 11.372 8.814 63 1HB LEU 13 1HB LEU 13 -16.130 11.763 7.650 64 2HB LEU 13 2HB LEU 13 -15.442 10.280 8.241 65 HG LEU 13 HG LEU 13 -17.196 9.005 6.947 66 1HD1 LEU 13 1HD1 LEU 13 -18.959 10.721 6.786 67 2HD1 LEU 13 2HD1 LEU 13 -17.851 11.815 5.921 68 3HD1 LEU 13 3HD1 LEU 13 -18.402 10.300 5.163 69 1HD2 LEU 13 1HD2 LEU 13 -16.132 9.498 4.757 70 2HD2 LEU 13 2HD2 LEU 13 -15.503 11.033 5.405 71 3HD2 LEU 13 3HD2 LEU 13 -14.926 9.487 6.057 72 HA PRO 14 HA PRO 14 -18.410 7.027 10.742 73 1HB PRO 14 1HB PRO 14 -16.339 5.944 12.138 74 2HB PRO 14 2HB PRO 14 -16.480 5.747 10.361 75 1HG PRO 14 1HG PRO 14 -14.790 7.743 11.902 76 2HG PRO 14 2HG PRO 14 -14.305 6.724 10.516 77 1HD PRO 14 1HD PRO 14 -15.075 9.338 10.180 78 2HD PRO 14 2HD PRO 14 -15.441 8.071 8.981 79 H VAL 15 H VAL 15 -19.483 7.136 12.754 80 HA VAL 15 HA VAL 15 -18.667 9.398 14.527 81 HB VAL 15 HB VAL 15 -21.359 7.996 14.318 82 1HG1 VAL 15 1HG1 VAL 15 -20.526 10.545 15.781 83 2HG1 VAL 15 2HG1 VAL 15 -22.195 9.971 15.579 84 3HG1 VAL 15 3HG1 VAL 15 -21.060 9.026 16.540 85 1HG2 VAL 15 1HG2 VAL 15 -20.415 10.680 13.217 86 2HG2 VAL 15 2HG2 VAL 15 -20.883 9.258 12.260 87 3HG2 VAL 15 3HG2 VAL 15 -22.097 10.104 13.220 88 H GLY 16 H GLY 16 -17.883 9.137 16.441 89 1HA GLY 16 1HA GLY 16 -17.439 8.331 18.548 90 2HA GLY 16 2HA GLY 16 -18.729 7.150 18.351 91 H LYS 17 H LYS 17 -16.754 6.272 19.769 92 HA LYS 17 HA LYS 17 -14.459 5.171 18.467 93 1HB LYS 17 1HB LYS 17 -15.854 4.065 20.944 94 2HB LYS 17 2HB LYS 17 -14.196 3.767 20.414 95 1HG LYS 17 1HG LYS 17 -13.900 6.358 20.594 96 2HG LYS 17 2HG LYS 17 -15.397 6.310 21.543 97 1HD LYS 17 1HD LYS 17 -14.332 4.632 23.075 98 2HD LYS 17 2HD LYS 17 -12.839 4.749 22.117 99 1HE LYS 17 1HE LYS 17 -12.738 7.200 22.647 100 2HE LYS 17 2HE LYS 17 -14.158 7.010 23.686 101 1HZ LYS 17 1HZ LYS 17 -12.058 6.864 24.942 102 2HZ LYS 17 2HZ LYS 17 -12.867 5.448 25.042 103 3HZ LYS 17 3HZ LYS 17 -11.570 5.577 24.050 104 H ASP 18 H ASP 18 -17.681 3.823 18.963 105 HA ASP 18 HA ASP 18 -17.214 1.135 18.221 106 1HB ASP 18 1HB ASP 18 -19.702 2.854 17.869 107 2HB ASP 18 2HB ASP 18 -19.657 1.102 17.676 108 H ALA 19 H ALA 19 -18.144 3.879 16.048 109 HA ALA 19 HA ALA 19 -18.233 2.252 13.675 110 1HB ALA 19 1HB ALA 19 -17.789 5.249 13.988 111 2HB ALA 19 2HB ALA 19 -18.244 4.403 12.490 112 3HB ALA 19 3HB ALA 19 -19.370 4.434 13.862 113 H VAL 20 H VAL 20 -15.627 4.253 15.142 114 HA VAL 20 HA VAL 20 -13.699 3.788 13.042 115 HB VAL 20 HB VAL 20 -13.338 4.585 15.956 116 1HG1 VAL 20 1HG1 VAL 20 -11.319 4.347 13.692 117 2HG1 VAL 20 2HG1 VAL 20 -11.039 5.355 15.127 118 3HG1 VAL 20 3HG1 VAL 20 -11.238 3.611 15.307 119 1HG2 VAL 20 1HG2 VAL 20 -12.902 6.816 14.977 120 2HG2 VAL 20 2HG2 VAL 20 -13.188 6.172 13.347 121 3HG2 VAL 20 3HG2 VAL 20 -14.514 6.249 14.528 122 H ASN 21 H ASN 21 -14.360 2.028 16.121 123 HA ASN 21 HA ASN 21 -12.275 0.097 15.872 124 1HB ASN 21 1HB ASN 21 -13.460 0.470 17.955 125 2HB ASN 21 2HB ASN 21 -15.012 0.090 17.216 126 1HD2 ASN 21 1HD2 ASN 21 -15.699 -2.013 17.197 127 2HD2 ASN 21 2HD2 ASN 21 -14.711 -3.359 17.756 128 H SER 22 H SER 22 -15.657 0.078 14.643 129 HA SER 22 HA SER 22 -15.539 -2.537 13.435 130 1HB SER 22 1HB SER 22 -17.250 -0.137 12.651 131 2HB SER 22 2HB SER 22 -17.509 -1.822 12.167 132 HG SER 22 HG SER 22 -17.693 -0.674 14.764 133 H LEU 23 H LEU 23 -14.891 0.739 12.122 134 HA LEU 23 HA LEU 23 -14.277 -0.013 9.440 135 1HB LEU 23 1HB LEU 23 -14.873 2.208 10.162 136 2HB LEU 23 2HB LEU 23 -13.490 2.337 11.225 137 HG LEU 23 HG LEU 23 -13.068 2.019 8.243 138 1HD1 LEU 23 1HD1 LEU 23 -14.682 3.871 8.526 139 2HD1 LEU 23 2HD1 LEU 23 -13.646 4.604 9.764 140 3HD1 LEU 23 3HD1 LEU 23 -13.091 4.502 8.078 141 1HD2 LEU 23 1HD2 LEU 23 -11.052 3.381 8.731 142 2HD2 LEU 23 2HD2 LEU 23 -11.527 3.497 10.439 143 3HD2 LEU 23 3HD2 LEU 23 -11.063 1.941 9.747 144 H ILE 24 H ILE 24 -12.149 0.205 12.315 145 HA ILE 24 HA ILE 24 -9.726 -0.543 10.922 146 HB ILE 24 HB ILE 24 -10.557 -0.719 13.843 147 1HG1 ILE 24 1HG1 ILE 24 -8.498 1.134 12.561 148 2HG1 ILE 24 2HG1 ILE 24 -10.190 1.580 12.689 149 1HG2 ILE 24 1HG2 ILE 24 -8.844 -2.437 13.500 150 2HG2 ILE 24 2HG2 ILE 24 -7.838 -1.291 12.589 151 3HG2 ILE 24 3HG2 ILE 24 -8.111 -1.082 14.332 152 1HD1 ILE 24 1HD1 ILE 24 -8.299 1.033 15.009 153 2HD1 ILE 24 2HD1 ILE 24 -9.086 2.552 14.573 154 3HD1 ILE 24 3HD1 ILE 24 -10.060 1.214 15.191 155 H ARG 25 H ARG 25 -12.113 -2.457 12.824 156 HA ARG 25 HA ARG 25 -10.914 -5.007 12.543 157 1HB ARG 25 1HB ARG 25 -12.666 -4.421 14.164 158 2HB ARG 25 2HB ARG 25 -13.854 -4.253 12.854 159 1HG ARG 25 1HG ARG 25 -13.685 -6.603 12.340 160 2HG ARG 25 2HG ARG 25 -12.392 -6.805 13.557 161 1HD ARG 25 1HD ARG 25 -13.982 -6.128 15.331 162 2HD ARG 25 2HD ARG 25 -15.259 -5.933 14.110 163 HE ARG 25 HE ARG 25 -14.190 -8.568 13.898 164 1HH1 ARG 25 1HH1 ARG 25 -16.176 -6.755 16.146 165 2HH1 ARG 25 2HH1 ARG 25 -16.968 -8.187 16.743 166 1HH2 ARG 25 1HH2 ARG 25 -15.241 -10.352 14.703 167 2HH2 ARG 25 2HH2 ARG 25 -16.448 -10.167 15.941 168 H GLU 26 H GLU 26 -13.382 -3.513 10.428 169 HA GLU 26 HA GLU 26 -13.584 -5.773 8.632 170 1HB GLU 26 1HB GLU 26 -14.394 -2.847 8.399 171 2HB GLU 26 2HB GLU 26 -14.705 -4.041 7.135 172 1HG GLU 26 1HG GLU 26 -15.984 -5.441 8.715 173 2HG GLU 26 2HG GLU 26 -15.725 -4.266 9.999 174 H ASN 27 H ASN 27 -11.152 -3.352 8.897 175 HA ASN 27 HA ASN 27 -9.984 -4.146 6.257 176 1HB ASN 27 1HB ASN 27 -10.060 -1.395 7.511 177 2HB ASN 27 2HB ASN 27 -9.255 -1.791 5.998 178 1HD2 ASN 27 1HD2 ASN 27 -12.231 -0.909 7.478 179 2HD2 ASN 27 2HD2 ASN 27 -13.201 -0.950 5.998 180 H SER 28 H SER 28 -9.401 -5.345 8.803 181 HA SER 28 HA SER 28 -7.219 -4.357 10.209 182 1HB SER 28 1HB SER 28 -6.861 -6.669 10.951 183 2HB SER 28 2HB SER 28 -8.572 -6.209 10.969 184 HG SER 28 HG SER 28 -8.251 -8.284 10.029 185 H HIS 29 H HIS 29 -7.076 -5.594 6.987 186 HA HIS 29 HA HIS 29 -4.267 -6.362 6.967 187 1HB HIS 29 1HB HIS 29 -4.627 -6.571 4.560 188 2HB HIS 29 2HB HIS 29 -5.899 -7.381 5.462 189 HD2 HIS 29 HD2 HIS 29 -5.574 -5.412 2.477 190 HE1 HIS 29 HE1 HIS 29 -9.420 -4.238 3.898 191 HE2 HIS 29 HE2 HIS 29 -7.854 -4.227 1.893 192 H ILE 30 H ILE 30 -5.921 -3.317 6.736 193 HA ILE 30 HA ILE 30 -3.383 -1.954 5.939 194 HB ILE 30 HB ILE 30 -4.778 -0.266 4.735 195 1HG1 ILE 30 1HG1 ILE 30 -6.952 -2.401 4.853 196 2HG1 ILE 30 2HG1 ILE 30 -6.979 -0.869 5.719 197 1HG2 ILE 30 1HG2 ILE 30 -4.804 -3.060 3.547 198 2HG2 ILE 30 2HG2 ILE 30 -4.787 -1.520 2.663 199 3HG2 ILE 30 3HG2 ILE 30 -3.388 -1.993 3.625 200 1HD1 ILE 30 1HD1 ILE 30 -8.376 -0.695 3.764 201 2HD1 ILE 30 2HD1 ILE 30 -6.955 0.336 3.524 202 3HD1 ILE 30 3HD1 ILE 30 -7.071 -1.238 2.699 203 H PHE 31 H PHE 31 -6.053 -1.951 8.157 204 HA PHE 31 HA PHE 31 -4.990 0.566 9.412 205 1HB PHE 31 1HB PHE 31 -7.800 -0.522 9.628 206 2HB PHE 31 2HB PHE 31 -7.226 1.013 10.227 207 HD1 PHE 31 HD1 PHE 31 -5.782 1.720 7.387 208 HD2 PHE 31 HD2 PHE 31 -9.702 0.493 8.666 209 HE1 PHE 31 HE1 PHE 31 -6.745 2.539 5.255 210 HE2 PHE 31 HE2 PHE 31 -10.673 1.356 6.553 211 HZ PHE 31 HZ PHE 31 -9.185 2.293 4.810 212 H SER 32 H SER 32 -4.844 0.545 11.683 213 HA SER 32 HA SER 32 -5.639 -1.857 13.189 214 1HB SER 32 1HB SER 32 -3.568 -2.519 13.940 215 2HB SER 32 2HB SER 32 -3.237 -2.173 12.241 216 HG SER 32 HG SER 32 -1.660 -1.267 13.617 217 H ASP 33 H ASP 33 -4.977 -1.585 15.542 218 HA ASP 33 HA ASP 33 -6.220 0.718 16.654 219 1HB ASP 33 1HB ASP 33 -6.069 -1.587 17.626 220 2HB ASP 33 2HB ASP 33 -4.348 -1.329 17.916 221 H THR 34 H THR 34 -2.937 0.294 15.564 222 HA THR 34 HA THR 34 -2.112 2.851 16.865 223 HB THR 34 HB THR 34 0.137 1.892 17.279 224 HG1 THR 34 HG1 THR 34 0.336 -0.358 17.237 225 1HG2 THR 34 1HG2 THR 34 -1.565 1.971 19.096 226 2HG2 THR 34 2HG2 THR 34 -2.037 0.304 18.695 227 3HG2 THR 34 3HG2 THR 34 -0.395 0.653 19.275 228 H GLN 35 H GLN 35 -2.454 1.420 13.823 229 HA GLN 35 HA GLN 35 -0.738 3.499 12.674 230 1HB GLN 35 1HB GLN 35 0.800 1.534 13.197 231 2HB GLN 35 2HB GLN 35 -0.173 0.545 12.109 232 1HG GLN 35 1HG GLN 35 0.493 2.020 10.205 233 2HG GLN 35 2HG GLN 35 1.387 3.045 11.334 234 1HE2 GLN 35 1HE2 GLN 35 3.513 2.716 10.570 235 2HE2 GLN 35 2HE2 GLN 35 4.251 1.122 10.531 236 H CYS 36 H CYS 36 -1.173 3.998 10.552 237 HA CYS 36 HA CYS 36 -3.330 2.463 9.121 238 1HB CYS 36 1HB CYS 36 -4.178 4.648 9.850 239 2HB CYS 36 2HB CYS 36 -2.784 5.451 9.112 240 H LYS 37 H LYS 37 -2.422 1.369 7.430 241 HA LYS 37 HA LYS 37 0.199 2.070 6.327 242 1HB LYS 37 1HB LYS 37 -1.894 0.114 5.282 243 2HB LYS 37 2HB LYS 37 -0.205 0.224 4.780 244 1HG LYS 37 1HG LYS 37 0.475 -0.324 7.165 245 2HG LYS 37 2HG LYS 37 -1.242 -0.617 7.519 246 1HD LYS 37 1HD LYS 37 -1.241 -2.228 5.527 247 2HD LYS 37 2HD LYS 37 0.521 -2.060 5.504 248 1HE LYS 37 1HE LYS 37 0.704 -2.987 7.747 249 2HE LYS 37 2HE LYS 37 -1.051 -2.917 7.974 250 1HZ LYS 37 1HZ LYS 37 -1.314 -4.564 6.226 251 2HZ LYS 37 2HZ LYS 37 0.307 -4.646 5.978 252 3HZ LYS 37 3HZ LYS 37 -0.330 -5.163 7.391 253 H VAL 38 H VAL 38 -3.141 2.516 5.184 254 HA VAL 38 HA VAL 38 -2.611 3.365 2.515 255 HB VAL 38 HB VAL 38 -4.841 4.010 4.471 256 1HG1 VAL 38 1HG1 VAL 38 -4.805 5.931 2.967 257 2HG1 VAL 38 2HG1 VAL 38 -4.700 4.853 1.550 258 3HG1 VAL 38 3HG1 VAL 38 -6.149 4.877 2.580 259 1HG2 VAL 38 1HG2 VAL 38 -6.125 2.530 2.928 260 2HG2 VAL 38 2HG2 VAL 38 -4.665 2.295 1.957 261 3HG2 VAL 38 3HG2 VAL 38 -4.724 1.701 3.622 262 H CYS 39 H CYS 39 -2.648 5.252 5.535 263 HA CYS 39 HA CYS 39 -1.712 7.675 4.111 264 1HB CYS 39 1HB CYS 39 -2.711 7.213 6.937 265 2HB CYS 39 2HB CYS 39 -2.337 8.764 6.203 266 H SER 40 H SER 40 -0.255 5.038 5.176 267 HA SER 40 HA SER 40 1.509 4.367 6.405 268 1HB SER 40 1HB SER 40 3.626 5.097 5.277 269 2HB SER 40 2HB SER 40 2.336 4.562 4.198 270 HG SER 40 HG SER 40 3.371 6.485 3.462 271 H ALA 41 H ALA 41 0.409 5.664 8.208 272 HA ALA 41 HA ALA 41 2.540 7.188 9.646 273 1HB ALA 41 1HB ALA 41 0.849 8.827 10.395 274 2HB ALA 41 2HB ALA 41 1.012 8.828 8.629 275 3HB ALA 41 3HB ALA 41 -0.381 8.026 9.393 276 H VAL 42 H VAL 42 2.525 7.128 11.842 277 HA VAL 42 HA VAL 42 1.220 4.793 13.108 278 HB VAL 42 HB VAL 42 3.350 6.730 14.128 279 1HG1 VAL 42 1HG1 VAL 42 2.375 4.097 15.327 280 2HG1 VAL 42 2HG1 VAL 42 3.796 5.011 15.867 281 3HG1 VAL 42 3HG1 VAL 42 2.196 5.715 16.049 282 1HG2 VAL 42 1HG2 VAL 42 3.574 3.865 13.090 283 2HG2 VAL 42 2HG2 VAL 42 4.179 5.322 12.266 284 3HG2 VAL 42 3HG2 VAL 42 4.899 4.817 13.794 285 H LEU 43 H LEU 43 -0.021 4.919 14.923 286 HA LEU 43 HA LEU 43 -1.389 7.493 15.594 287 1HB LEU 43 1HB LEU 43 -2.588 4.705 15.334 288 2HB LEU 43 2HB LEU 43 -3.458 6.168 15.747 289 HG LEU 43 HG LEU 43 -2.055 5.703 13.069 290 1HD1 LEU 43 1HD1 LEU 43 -3.897 4.125 13.381 291 2HD1 LEU 43 2HD1 LEU 43 -5.000 5.464 13.742 292 3HD1 LEU 43 3HD1 LEU 43 -4.263 5.332 12.138 293 1HD2 LEU 43 1HD2 LEU 43 -3.406 7.605 12.302 294 2HD2 LEU 43 2HD2 LEU 43 -4.050 7.835 13.945 295 3HD2 LEU 43 3HD2 LEU 43 -2.327 8.098 13.607 296 H ILE 44 H ILE 44 0.331 7.595 17.136 297 HA ILE 44 HA ILE 44 1.097 5.773 19.043 298 HB ILE 44 HB ILE 44 1.998 7.652 20.323 299 1HG1 ILE 44 1HG1 ILE 44 0.479 9.464 18.388 300 2HG1 ILE 44 2HG1 ILE 44 0.087 9.221 20.091 301 1HG2 ILE 44 1HG2 ILE 44 3.102 6.746 18.263 302 2HG2 ILE 44 2HG2 ILE 44 2.381 8.076 17.328 303 3HG2 ILE 44 3HG2 ILE 44 3.534 8.413 18.631 304 1HD1 ILE 44 1HD1 ILE 44 2.615 10.513 19.003 305 2HD1 ILE 44 2HD1 ILE 44 1.282 11.293 19.868 306 3HD1 ILE 44 3HD1 ILE 44 2.326 10.137 20.722 307 H SER 45 H SER 45 -1.978 7.350 19.221 308 HA SER 45 HA SER 45 -2.586 5.912 21.691 309 1HB SER 45 1HB SER 45 -1.631 8.213 22.383 310 2HB SER 45 2HB SER 45 -3.110 8.899 21.673 311 HG SER 45 HG SER 45 -3.280 8.428 23.946 312 H GLU 46 H GLU 46 -4.919 6.096 22.227 313 HA GLU 46 HA GLU 46 -6.567 5.579 19.963 314 1HB GLU 46 1HB GLU 46 -6.972 4.656 22.171 315 2HB GLU 46 2HB GLU 46 -7.359 6.259 22.820 316 1HG GLU 46 1HG GLU 46 -9.366 6.413 21.571 317 2HG GLU 46 2HG GLU 46 -8.867 5.165 20.427 318 H SER 47 H SER 47 -6.135 8.686 21.763 319 HA SER 47 HA SER 47 -8.294 10.031 20.436 320 1HB SER 47 1HB SER 47 -7.088 12.113 21.071 321 2HB SER 47 2HB SER 47 -7.403 10.991 22.405 322 HG SER 47 HG SER 47 -5.265 11.744 22.512 323 H GLN 48 H GLN 48 -4.873 9.571 19.482 324 HA GLN 48 HA GLN 48 -5.084 11.182 17.058 325 1HB GLN 48 1HB GLN 48 -3.087 9.080 18.000 326 2HB GLN 48 2HB GLN 48 -3.062 9.723 16.363 327 1HG GLN 48 1HG GLN 48 -1.490 10.988 17.618 328 2HG GLN 48 2HG GLN 48 -2.851 12.037 17.245 329 1HE2 GLN 48 1HE2 GLN 48 -3.582 13.263 19.016 330 2HE2 GLN 48 2HE2 GLN 48 -3.326 12.779 20.688 331 H LYS 49 H LYS 49 -5.460 7.669 17.770 332 HA LYS 49 HA LYS 49 -5.945 6.896 15.052 333 1HB LYS 49 1HB LYS 49 -5.916 4.848 15.966 334 2HB LYS 49 2HB LYS 49 -5.741 5.592 17.545 335 1HG LYS 49 1HG LYS 49 -8.242 5.587 17.777 336 2HG LYS 49 2HG LYS 49 -8.346 4.715 16.238 337 1HD LYS 49 1HD LYS 49 -7.094 2.829 17.257 338 2HD LYS 49 2HD LYS 49 -6.939 3.746 18.770 339 1HE LYS 49 1HE LYS 49 -9.526 3.979 18.670 340 2HE LYS 49 2HE LYS 49 -9.464 2.704 17.437 341 1HZ LYS 49 1HZ LYS 49 -9.766 1.537 19.414 342 2HZ LYS 49 2HZ LYS 49 -8.132 1.456 19.294 343 3HZ LYS 49 3HZ LYS 49 -8.857 2.521 20.323 344 H LEU 50 H LEU 50 -8.245 7.839 17.571 345 HA LEU 50 HA LEU 50 -10.616 7.556 16.004 346 1HB LEU 50 1HB LEU 50 -9.935 9.316 18.401 347 2HB LEU 50 2HB LEU 50 -11.548 9.240 17.696 348 HG LEU 50 HG LEU 50 -10.081 6.832 18.860 349 1HD1 LEU 50 1HD1 LEU 50 -10.706 8.526 20.567 350 2HD1 LEU 50 2HD1 LEU 50 -12.392 8.451 19.994 351 3HD1 LEU 50 3HD1 LEU 50 -11.625 7.021 20.721 352 1HD2 LEU 50 1HD2 LEU 50 -11.707 6.107 17.204 353 2HD2 LEU 50 2HD2 LEU 50 -12.271 5.739 18.827 354 3HD2 LEU 50 3HD2 LEU 50 -12.961 7.128 17.945 355 H ALA 51 H ALA 51 -8.674 10.551 16.610 356 HA ALA 51 HA ALA 51 -10.196 12.185 14.863 357 1HB ALA 51 1HB ALA 51 -7.256 12.378 15.662 358 2HB ALA 51 2HB ALA 51 -8.238 13.691 14.977 359 3HB ALA 51 3HB ALA 51 -8.634 13.033 16.577 360 H HIS 52 H HIS 52 -7.358 10.093 14.104 361 HA HIS 52 HA HIS 52 -7.034 11.064 11.423 362 1HB HIS 52 1HB HIS 52 -5.308 9.832 12.726 363 2HB HIS 52 2HB HIS 52 -6.295 8.369 12.663 364 HD1 HIS 52 HD1 HIS 52 -3.950 10.469 10.522 365 HD2 HIS 52 HD2 HIS 52 -6.530 7.155 10.182 366 HE1 HIS 52 HE1 HIS 52 -3.499 9.430 8.235 367 H TYR 53 H TYR 53 -8.743 8.106 12.636 368 HA TYR 53 HA TYR 53 -9.689 7.436 9.980 369 1HB TYR 53 1HB TYR 53 -10.563 6.483 12.720 370 2HB TYR 53 2HB TYR 53 -11.112 5.792 11.199 371 HD1 TYR 53 HD1 TYR 53 -8.916 5.345 9.499 372 HD2 TYR 53 HD2 TYR 53 -8.979 5.091 13.795 373 HE1 TYR 53 HE1 TYR 53 -6.949 3.811 9.445 374 HE2 TYR 53 HE2 TYR 53 -7.011 3.577 13.740 375 HH TYR 53 HH TYR 53 -5.540 2.461 12.455 376 H GLN 54 H GLN 54 -10.977 9.550 12.496 377 HA GLN 54 HA GLN 54 -13.661 9.693 11.494 378 1HB GLN 54 1HB GLN 54 -12.006 11.345 13.369 379 2HB GLN 54 2HB GLN 54 -13.548 11.961 12.816 380 1HG GLN 54 1HG GLN 54 -14.805 10.155 13.726 381 2HG GLN 54 2HG GLN 54 -13.373 9.158 13.953 382 1HE2 GLN 54 1HE2 GLN 54 -14.574 9.014 16.142 383 2HE2 GLN 54 2HE2 GLN 54 -14.070 10.199 17.341 384 H SER 55 H SER 55 -10.704 11.356 10.437 385 HA SER 55 HA SER 55 -12.131 13.508 9.128 386 1HB SER 55 1HB SER 55 -9.806 13.705 9.949 387 2HB SER 55 2HB SER 55 -9.275 12.547 8.708 388 HG SER 55 HG SER 55 -9.080 14.828 8.130 389 H ARG 56 H ARG 56 -12.430 14.004 7.035 390 HA ARG 56 HA ARG 56 -13.137 11.925 5.140 391 1HB ARG 56 1HB ARG 56 -14.232 14.161 5.412 392 2HB ARG 56 2HB ARG 56 -12.832 14.937 4.682 393 1HG ARG 56 1HG ARG 56 -14.348 12.711 3.270 394 2HG ARG 56 2HG ARG 56 -15.005 14.342 3.303 395 1HD ARG 56 1HD ARG 56 -13.155 15.278 2.132 396 2HD ARG 56 2HD ARG 56 -12.202 13.810 2.254 397 HE ARG 56 HE ARG 56 -14.291 14.388 0.321 398 1HH1 ARG 56 1HH1 ARG 56 -12.618 11.719 1.868 399 2HH1 ARG 56 2HH1 ARG 56 -13.178 10.574 0.669 400 1HH2 ARG 56 1HH2 ARG 56 -14.905 12.885 -1.188 401 2HH2 ARG 56 2HH2 ARG 56 -14.401 11.230 -1.033 402 H LYS 57 H LYS 57 -10.221 13.742 5.733 403 HA LYS 57 HA LYS 57 -8.879 13.410 3.230 404 1HB LYS 57 1HB LYS 57 -8.183 14.939 5.095 405 2HB LYS 57 2HB LYS 57 -7.753 13.543 6.069 406 1HG LYS 57 1HG LYS 57 -5.746 14.495 5.151 407 2HG LYS 57 2HG LYS 57 -5.995 12.908 4.445 408 1HD LYS 57 1HD LYS 57 -5.194 14.446 2.762 409 2HD LYS 57 2HD LYS 57 -6.844 13.974 2.351 410 1HE LYS 57 1HE LYS 57 -7.704 16.107 3.274 411 2HE LYS 57 2HE LYS 57 -6.081 16.544 3.820 412 1HZ LYS 57 1HZ LYS 57 -5.376 16.592 1.487 413 2HZ LYS 57 2HZ LYS 57 -6.880 16.200 0.976 414 3HZ LYS 57 3HZ LYS 57 -6.613 17.626 1.720 415 H HIS 58 H HIS 58 -9.017 11.265 6.095 416 HA HIS 58 HA HIS 58 -7.264 9.206 5.102 417 1HB HIS 58 1HB HIS 58 -7.871 9.270 7.435 418 2HB HIS 58 2HB HIS 58 -9.593 9.157 7.065 419 HD2 HIS 58 HD2 HIS 58 -10.625 6.767 6.568 420 HE1 HIS 58 HE1 HIS 58 -7.072 4.466 7.028 421 HE2 HIS 58 HE2 HIS 58 -9.590 4.342 6.745 422 H ALA 59 H ALA 59 -10.852 9.556 4.894 423 HA ALA 59 HA ALA 59 -11.301 7.225 3.340 424 1HB ALA 59 1HB ALA 59 -13.067 8.427 4.535 425 2HB ALA 59 2HB ALA 59 -12.890 9.825 3.455 426 3HB ALA 59 3HB ALA 59 -13.471 8.273 2.816 427 H ASN 60 H ASN 60 -10.322 10.511 2.271 428 HA ASN 60 HA ASN 60 -10.649 9.948 -0.554 429 1HB ASN 60 1HB ASN 60 -10.519 12.264 0.423 430 2HB ASN 60 2HB ASN 60 -8.817 11.986 0.795 431 1HD2 ASN 60 1HD2 ASN 60 -7.546 13.020 -0.741 432 2HD2 ASN 60 2HD2 ASN 60 -7.944 13.076 -2.450 433 H LYS 61 H LYS 61 -7.833 9.646 1.701 434 HA LYS 61 HA LYS 61 -6.043 8.674 -0.379 435 1HB LYS 61 1HB LYS 61 -5.874 8.391 2.650 436 2HB LYS 61 2HB LYS 61 -4.643 7.847 1.496 437 1HG LYS 61 1HG LYS 61 -4.681 10.274 0.566 438 2HG LYS 61 2HG LYS 61 -5.564 10.690 2.034 439 1HD LYS 61 1HD LYS 61 -3.277 11.218 2.384 440 2HD LYS 61 2HD LYS 61 -3.618 9.793 3.377 441 1HE LYS 61 1HE LYS 61 -2.480 8.331 1.826 442 2HE LYS 61 2HE LYS 61 -2.449 9.575 0.572 443 1HZ LYS 61 1HZ LYS 61 -0.289 9.336 1.685 444 2HZ LYS 61 2HZ LYS 61 -0.879 10.840 1.882 445 3HZ LYS 61 3HZ LYS 61 -0.930 9.782 3.121 446 H VAL 62 H VAL 62 -8.343 7.012 1.791 447 HA VAL 62 HA VAL 62 -7.631 4.327 0.979 448 HB VAL 62 HB VAL 62 -10.272 5.464 1.978 449 1HG1 VAL 62 1HG1 VAL 62 -10.777 3.391 0.762 450 2HG1 VAL 62 2HG1 VAL 62 -9.443 2.551 1.585 451 3HG1 VAL 62 3HG1 VAL 62 -10.869 3.095 2.496 452 1HG2 VAL 62 1HG2 VAL 62 -9.656 4.441 4.088 453 2HG2 VAL 62 2HG2 VAL 62 -8.180 3.744 3.371 454 3HG2 VAL 62 3HG2 VAL 62 -8.327 5.486 3.598 455 H ARG 63 H ARG 63 -10.006 6.671 -0.388 456 HA ARG 63 HA ARG 63 -10.953 5.033 -2.534 457 1HB ARG 63 1HB ARG 63 -12.001 7.109 -1.773 458 2HB ARG 63 2HB ARG 63 -10.626 8.054 -2.350 459 1HG ARG 63 1HG ARG 63 -11.111 7.447 -4.676 460 2HG ARG 63 2HG ARG 63 -12.367 6.316 -4.141 461 1HD ARG 63 1HD ARG 63 -13.446 8.299 -4.895 462 2HD ARG 63 2HD ARG 63 -13.616 8.210 -3.132 463 HE ARG 63 HE ARG 63 -11.397 9.794 -3.401 464 1HH1 ARG 63 1HH1 ARG 63 -14.530 10.085 -4.951 465 2HH1 ARG 63 2HH1 ARG 63 -14.405 11.818 -5.064 466 1HH2 ARG 63 1HH2 ARG 63 -11.355 11.988 -3.470 467 2HH2 ARG 63 2HH2 ARG 63 -12.633 12.865 -4.277 468 H ARG 64 H ARG 64 -8.129 7.226 -2.415 469 HA ARG 64 HA ARG 64 -7.272 6.752 -5.134 470 1HB ARG 64 1HB ARG 64 -6.586 8.727 -3.825 471 2HB ARG 64 2HB ARG 64 -5.734 7.704 -2.673 472 1HG ARG 64 1HG ARG 64 -4.175 8.787 -4.197 473 2HG ARG 64 2HG ARG 64 -4.108 7.038 -4.390 474 1HD ARG 64 1HD ARG 64 -5.507 7.194 -6.430 475 2HD ARG 64 2HD ARG 64 -5.636 8.941 -6.231 476 HE ARG 64 HE ARG 64 -3.320 7.373 -7.176 477 1HH1 ARG 64 1HH1 ARG 64 -4.324 10.572 -6.139 478 2HH1 ARG 64 2HH1 ARG 64 -2.951 11.337 -6.890 479 1HH2 ARG 64 1HH2 ARG 64 -1.603 8.417 -8.103 480 2HH2 ARG 64 2HH2 ARG 64 -1.456 10.145 -7.967 481 H TYR 65 H TYR 65 -6.292 5.233 -2.044 482 HA TYR 65 HA TYR 65 -4.343 3.444 -3.131 483 1HB TYR 65 1HB TYR 65 -4.598 4.109 -0.750 484 2HB TYR 65 2HB TYR 65 -6.081 3.174 -0.645 485 HD1 TYR 65 HD1 TYR 65 -2.410 3.065 -0.745 486 HD2 TYR 65 HD2 TYR 65 -6.009 0.685 -0.687 487 HE1 TYR 65 HE1 TYR 65 -1.084 1.065 -0.063 488 HE2 TYR 65 HE2 TYR 65 -4.683 -1.310 -0.013 489 HH TYR 65 HH TYR 65 -2.602 -2.135 0.483 490 H MET 66 H MET 66 -7.876 2.996 -2.572 491 HA MET 66 HA MET 66 -7.973 0.257 -3.394 492 1HB MET 66 1HB MET 66 -10.052 2.489 -3.329 493 2HB MET 66 2HB MET 66 -10.446 0.849 -3.865 494 1HG MET 66 1HG MET 66 -9.208 1.499 -1.170 495 2HG MET 66 2HG MET 66 -10.934 1.283 -1.440 496 1HE MET 66 1HE MET 66 -9.545 -0.272 0.805 497 2HE MET 66 2HE MET 66 -8.744 -1.809 0.399 498 3HE MET 66 3HE MET 66 -7.976 -0.267 -0.038 499 H ALA 67 H ALA 67 -8.041 3.258 -5.314 500 HA ALA 67 HA ALA 67 -8.736 2.019 -7.806 501 1HB ALA 67 1HB ALA 67 -7.242 4.621 -7.281 502 2HB ALA 67 2HB ALA 67 -8.077 4.158 -8.773 503 3HB ALA 67 3HB ALA 67 -9.011 4.433 -7.291 504 H ILE 68 H ILE 68 -5.783 1.791 -6.028 505 HA ILE 68 HA ILE 68 -3.947 1.540 -8.267 506 HB ILE 68 HB ILE 68 -3.704 0.540 -5.401 507 1HG1 ILE 68 1HG1 ILE 68 -2.638 3.092 -6.716 508 2HG1 ILE 68 2HG1 ILE 68 -3.997 3.021 -5.606 509 1HG2 ILE 68 1HG2 ILE 68 -1.279 0.461 -5.802 510 2HG2 ILE 68 2HG2 ILE 68 -2.118 -0.644 -6.862 511 3HG2 ILE 68 3HG2 ILE 68 -1.534 0.910 -7.504 512 1HD1 ILE 68 1HD1 ILE 68 -2.155 3.792 -4.344 513 2HD1 ILE 68 2HD1 ILE 68 -2.444 2.117 -3.829 514 3HD1 ILE 68 3HD1 ILE 68 -1.091 2.506 -4.923 515 H ASN 69 H ASN 69 -6.212 -0.656 -6.666 516 HA ASN 69 HA ASN 69 -5.133 -3.150 -7.576 517 1HB ASN 69 1HB ASN 69 -8.011 -2.329 -6.969 518 2HB ASN 69 2HB ASN 69 -7.467 -3.985 -7.194 519 1HD2 ASN 69 1HD2 ASN 69 -7.831 -1.465 -4.924 520 2HD2 ASN 69 2HD2 ASN 69 -6.999 -2.275 -3.589 521 H GLN 70 H GLN 70 -5.757 -4.523 -9.301 522 HA GLN 70 HA GLN 70 -5.965 -3.296 -11.850 523 1HB GLN 70 1HB GLN 70 -6.094 -5.524 -12.753 524 2HB GLN 70 2HB GLN 70 -4.877 -5.442 -11.479 525 1HG GLN 70 1HG GLN 70 -6.507 -6.493 -9.890 526 2HG GLN 70 2HG GLN 70 -7.682 -6.620 -11.200 527 1HE2 GLN 70 1HE2 GLN 70 -7.025 -8.938 -9.893 528 2HE2 GLN 70 2HE2 GLN 70 -6.000 -9.924 -10.928 529 H GLY 71 H GLY 71 -7.567 -3.289 -13.448 530 1HA GLY 71 1HA GLY 71 -10.189 -4.238 -13.364 531 2HA GLY 71 2HA GLY 71 -10.237 -2.664 -12.565 532 H GLU 72 H GLU 72 -11.760 -2.551 -14.562 533 HA GLU 72 HA GLU 72 -10.441 -0.920 -16.612 534 1HB GLU 72 1HB GLU 72 -11.372 -2.110 -18.489 535 2HB GLU 72 2HB GLU 72 -10.286 -3.157 -17.601 536 1HG GLU 72 1HG GLU 72 -13.328 -3.237 -17.334 537 2HG GLU 72 2HG GLU 72 -12.416 -4.207 -18.475 538 H ASP 73 H ASP 73 -12.068 0.111 -18.083 539 HA ASP 73 HA ASP 73 -14.119 1.431 -16.576 540 1HB ASP 73 1HB ASP 73 -12.870 2.445 -18.453 541 2HB ASP 73 2HB ASP 73 -13.610 1.304 -19.577 542 H SER 74 H SER 74 -16.351 1.223 -16.564 543 HA SER 74 HA SER 74 -17.735 -0.729 -18.257 544 1HB SER 74 1HB SER 74 -16.715 -1.957 -16.192 545 2HB SER 74 2HB SER 74 -17.978 -1.127 -15.267 546 HG SER 74 HG SER 74 -18.210 -2.976 -17.420 547 H VAL 75 H VAL 75 -20.113 -0.935 -17.315 548 HA VAL 75 HA VAL 75 -21.206 1.718 -16.521 549 HB VAL 75 HB VAL 75 -21.010 1.610 -18.985 550 1HG1 VAL 75 1HG1 VAL 75 -22.422 0.171 -20.346 551 2HG1 VAL 75 2HG1 VAL 75 -21.321 -0.805 -19.370 552 3HG1 VAL 75 3HG1 VAL 75 -23.028 -0.667 -18.906 553 1HG2 VAL 75 1HG2 VAL 75 -22.756 3.012 -18.061 554 2HG2 VAL 75 2HG2 VAL 75 -23.255 2.298 -19.593 555 3HG2 VAL 75 3HG2 VAL 75 -23.906 1.648 -18.080 556 HA PRO 76 HA PRO 76 -23.823 -0.997 -14.105 557 1HB PRO 76 1HB PRO 76 -25.859 0.662 -13.333 558 2HB PRO 76 2HB PRO 76 -24.185 0.805 -12.716 559 1HG PRO 76 1HG PRO 76 -25.462 2.354 -14.994 560 2HG PRO 76 2HG PRO 76 -24.551 3.002 -13.590 561 1HD PRO 76 1HD PRO 76 -23.354 2.611 -15.977 562 2HD PRO 76 2HD PRO 76 -22.489 2.247 -14.462 563 H ALA 77 H ALA 77 -24.834 0.230 -17.136 564 HA ALA 77 HA ALA 77 -27.502 -0.559 -17.382 565 1HB ALA 77 1HB ALA 77 -26.242 0.823 -19.000 566 2HB ALA 77 2HB ALA 77 -25.316 -0.613 -19.505 567 3HB ALA 77 3HB ALA 77 -27.064 -0.530 -19.789 568 H LYS 78 H LYS 78 -24.756 -2.654 -17.089 569 HA LYS 78 HA LYS 78 -25.644 -5.053 -18.356 570 1HB LYS 78 1HB LYS 78 -23.987 -4.710 -15.823 571 2HB LYS 78 2HB LYS 78 -24.091 -6.180 -16.798 572 1HG LYS 78 1HG LYS 78 -23.122 -4.921 -18.744 573 2HG LYS 78 2HG LYS 78 -22.878 -3.528 -17.692 574 1HD LYS 78 1HD LYS 78 -21.618 -6.284 -17.442 575 2HD LYS 78 2HD LYS 78 -20.796 -4.795 -17.889 576 1HE LYS 78 1HE LYS 78 -22.064 -5.356 -15.164 577 2HE LYS 78 2HE LYS 78 -20.359 -5.577 -15.542 578 1HZ LYS 78 1HZ LYS 78 -20.832 -3.418 -14.478 579 2HZ LYS 78 2HZ LYS 78 -20.126 -3.238 -15.935 580 3HZ LYS 78 3HZ LYS 78 -21.723 -2.940 -15.772 581 H LYS 79 H LYS 79 -26.843 -3.528 -15.503 582 HA LYS 79 HA LYS 79 -28.516 -5.905 -14.781 583 1HB LYS 79 1HB LYS 79 -26.622 -5.072 -13.188 584 2HB LYS 79 2HB LYS 79 -27.711 -3.728 -12.829 585 1HG LYS 79 1HG LYS 79 -29.472 -5.467 -12.189 586 2HG LYS 79 2HG LYS 79 -28.261 -6.718 -12.452 587 1HD LYS 79 1HD LYS 79 -28.057 -4.440 -10.429 588 2HD LYS 79 2HD LYS 79 -28.559 -6.097 -10.065 589 1HE LYS 79 1HE LYS 79 -26.342 -6.935 -10.846 590 2HE LYS 79 2HE LYS 79 -25.827 -5.269 -11.145 591 1HZ LYS 79 1HZ LYS 79 -26.609 -6.356 -8.492 592 2HZ LYS 79 2HZ LYS 79 -25.081 -6.043 -8.970 593 3HZ LYS 79 3HZ LYS 79 -26.138 -4.816 -8.769 594 H PHE 80 H PHE 80 -29.094 -3.876 -16.778 595 HA PHE 80 HA PHE 80 -31.725 -2.916 -15.783 596 1HB PHE 80 1HB PHE 80 -30.012 -1.090 -15.570 597 2HB PHE 80 2HB PHE 80 -29.703 -1.217 -17.296 598 HD1 PHE 80 HD1 PHE 80 -30.846 0.268 -18.728 599 HD2 PHE 80 HD2 PHE 80 -32.580 -0.721 -14.900 600 HE1 PHE 80 HE1 PHE 80 -32.731 1.818 -19.178 601 HE2 PHE 80 HE2 PHE 80 -34.465 0.831 -15.359 602 HZ PHE 80 HZ PHE 80 -34.545 2.098 -17.499 603 H LYS 81 H LYS 81 -32.897 -1.904 -17.800 604 HA LYS 81 HA LYS 81 -33.350 -4.000 -19.754 605 1HB LYS 81 1HB LYS 81 -34.533 -1.206 -19.439 606 2HB LYS 81 2HB LYS 81 -35.121 -2.447 -20.556 607 1HG LYS 81 1HG LYS 81 -35.599 -3.956 -18.641 608 2HG LYS 81 2HG LYS 81 -35.077 -2.688 -17.515 609 1HD LYS 81 1HD LYS 81 -36.847 -1.181 -18.372 610 2HD LYS 81 2HD LYS 81 -37.376 -2.445 -19.507 611 1HE LYS 81 1HE LYS 81 -37.847 -3.959 -17.589 612 2HE LYS 81 2HE LYS 81 -37.331 -2.696 -16.463 613 1HZ LYS 81 1HZ LYS 81 -39.634 -2.474 -18.330 614 2HZ LYS 81 2HZ LYS 81 -39.746 -2.720 -16.722 615 3HZ LYS 81 3HZ LYS 81 -39.160 -1.308 -17.288 616 H ALA 82 H ALA 82 -30.900 -3.664 -20.329 617 HA ALA 82 HA ALA 82 -30.786 -2.243 -22.945 618 1HB ALA 82 1HB ALA 82 -28.707 -2.041 -20.722 619 2HB ALA 82 2HB ALA 82 -28.562 -1.337 -22.347 620 3HB ALA 82 3HB ALA 82 -29.806 -0.739 -21.234 621 H ALA 83 H ALA 83 -28.938 -2.935 -24.276 622 HA ALA 83 HA ALA 83 -28.801 -5.771 -24.507 623 1HB ALA 83 1HB ALA 83 -27.273 -5.242 -26.396 624 2HB ALA 83 2HB ALA 83 -28.717 -4.216 -26.413 625 3HB ALA 83 3HB ALA 83 -27.165 -3.564 -25.837 626 HA PRO 84 HA PRO 84 -25.187 -6.733 -22.032 627 1HB PRO 84 1HB PRO 84 -24.346 -9.086 -23.121 628 2HB PRO 84 2HB PRO 84 -25.907 -8.937 -22.260 629 1HG PRO 84 1HG PRO 84 -25.416 -8.810 -25.255 630 2HG PRO 84 2HG PRO 84 -26.619 -9.808 -24.374 631 1HD PRO 84 1HD PRO 84 -27.264 -7.405 -25.497 632 2HD PRO 84 2HD PRO 84 -27.996 -7.944 -23.956 633 H ALA 85 H ALA 85 -22.814 -7.119 -22.175 634 HA ALA 85 HA ALA 85 -21.506 -5.285 -23.932 635 1HB ALA 85 1HB ALA 85 -20.371 -7.501 -22.168 636 2HB ALA 85 2HB ALA 85 -19.453 -6.150 -22.867 637 3HB ALA 85 3HB ALA 85 -20.714 -5.828 -21.661 638 H GLU 86 H GLU 86 -20.283 -5.546 -25.756 639 HA GLU 86 HA GLU 86 -19.603 -8.151 -26.910 640 1HB GLU 86 1HB GLU 86 -22.024 -7.742 -27.532 641 2HB GLU 86 2HB GLU 86 -21.525 -6.270 -28.366 642 1HG GLU 86 1HG GLU 86 -20.220 -7.583 -29.971 643 2HG GLU 86 2HG GLU 86 -20.478 -9.055 -29.033 644 H ILE 87 H ILE 87 -18.159 -7.910 -28.771 645 HA ILE 87 HA ILE 87 -16.269 -5.775 -28.588 646 HB ILE 87 HB ILE 87 -16.780 -7.965 -30.619 647 1HG1 ILE 87 1HG1 ILE 87 -14.366 -7.493 -28.808 648 2HG1 ILE 87 2HG1 ILE 87 -15.798 -8.361 -28.246 649 1HG2 ILE 87 1HG2 ILE 87 -14.502 -5.931 -30.732 650 2HG2 ILE 87 2HG2 ILE 87 -14.595 -7.418 -31.692 651 3HG2 ILE 87 3HG2 ILE 87 -15.781 -6.156 -31.949 652 1HD1 ILE 87 1HD1 ILE 87 -13.982 -9.225 -30.530 653 2HD1 ILE 87 2HD1 ILE 87 -14.155 -9.972 -28.936 654 3HD1 ILE 87 3HD1 ILE 87 -15.508 -10.026 -30.083 655 H SER 88 H SER 88 -15.888 -3.993 -29.780 656 HA SER 88 HA SER 88 -17.747 -3.093 -31.908 657 1HB SER 88 1HB SER 88 -17.979 -0.900 -30.841 658 2HB SER 88 2HB SER 88 -18.630 -2.180 -29.809 659 HG SER 88 HG SER 88 -17.328 -0.700 -28.629 660 H ASP 89 H ASP 89 -16.816 -0.860 -32.775 661 HA ASP 89 HA ASP 89 -14.338 -1.431 -33.982 662 1HB ASP 89 1HB ASP 89 -16.097 0.113 -34.853 663 2HB ASP 89 2HB ASP 89 -15.624 1.307 -33.640 664 H GLY 90 H GLY 90 -12.294 -1.344 -33.312 665 1HA GLY 90 1HA GLY 90 -11.052 0.722 -31.829 666 2HA GLY 90 2HA GLY 90 -11.489 -0.572 -30.706 667 H GLU 91 H GLU 91 -9.038 -0.348 -30.578 668 HA GLU 91 HA GLU 91 -7.179 -1.101 -32.474 669 1HB GLU 91 1HB GLU 91 -7.187 -1.570 -29.472 670 2HB GLU 91 2HB GLU 91 -5.783 -1.850 -30.498 671 1HG GLU 91 1HG GLU 91 -5.972 0.551 -31.303 672 2HG GLU 91 2HG GLU 91 -7.208 0.808 -30.071 673 H ASP 92 H ASP 92 -9.330 -3.367 -30.864 674 HA ASP 92 HA ASP 92 -7.911 -5.787 -31.273 675 1HB ASP 92 1HB ASP 92 -9.968 -5.446 -29.866 676 2HB ASP 92 2HB ASP 92 -10.927 -5.340 -31.338 677 H ARG 93 H ARG 93 -9.382 -3.729 -33.638 678 HA ARG 93 HA ARG 93 -8.846 -5.722 -35.800 679 1HB ARG 93 1HB ARG 93 -10.856 -5.310 -36.905 680 2HB ARG 93 2HB ARG 93 -11.239 -5.762 -35.251 681 1HG ARG 93 1HG ARG 93 -11.748 -3.412 -34.677 682 2HG ARG 93 2HG ARG 93 -11.236 -2.885 -36.297 683 1HD ARG 93 1HD ARG 93 -12.936 -4.531 -37.231 684 2HD ARG 93 2HD ARG 93 -13.573 -4.680 -35.582 685 HE ARG 93 HE ARG 93 -13.431 -1.892 -36.291 686 1HH1 ARG 93 1HH1 ARG 93 -15.346 -4.685 -37.244 687 2HH1 ARG 93 2HH1 ARG 93 -16.637 -3.677 -37.841 688 1HH2 ARG 93 1HH2 ARG 93 -15.014 -0.738 -37.013 689 2HH2 ARG 93 2HH2 ARG 93 -16.466 -1.447 -37.724 690 H SER 94 H SER 94 -7.501 -3.114 -34.750 691 HA SER 94 HA SER 94 -7.023 -1.980 -37.460 692 1HB SER 94 1HB SER 94 -7.453 0.301 -36.707 693 2HB SER 94 2HB SER 94 -8.885 -0.713 -36.513 694 HG SER 94 HG SER 94 -8.609 0.456 -34.632 695 H LYS 95 H LYS 95 -5.316 -3.483 -35.442 696 HA LYS 95 HA LYS 95 -2.994 -1.557 -35.467 697 1HB LYS 95 1HB LYS 95 -3.808 -3.491 -33.267 698 2HB LYS 95 2HB LYS 95 -2.266 -2.657 -33.321 699 1HG LYS 95 1HG LYS 95 -4.992 -1.298 -33.179 700 2HG LYS 95 2HG LYS 95 -3.946 -1.607 -31.810 701 1HD LYS 95 1HD LYS 95 -3.266 0.218 -34.159 702 2HD LYS 95 2HD LYS 95 -3.875 0.746 -32.605 703 1HE LYS 95 1HE LYS 95 -1.196 -0.620 -33.109 704 2HE LYS 95 2HE LYS 95 -1.470 1.088 -32.773 705 1HZ LYS 95 1HZ LYS 95 -2.511 0.296 -30.598 706 2HZ LYS 95 2HZ LYS 95 -1.858 -1.164 -30.893 707 3HZ LYS 95 3HZ LYS 95 -0.877 0.129 -30.713 708 H CYS 96 H CYS 96 -4.023 -4.702 -36.326 709 HA CYS 96 HA CYS 96 -1.318 -5.330 -37.331 710 1HB CYS 96 1HB CYS 96 -1.476 -6.299 -35.054 711 2HB CYS 96 2HB CYS 96 -2.928 -7.194 -35.530 712 HG CYS 96 HG CYS 96 0.062 -7.372 -36.997 713 H CYS 97 H CYS 97 -1.269 -6.957 -38.943 714 HA CYS 97 HA CYS 97 -3.849 -7.725 -40.231 715 1HB CYS 97 1HB CYS 97 -3.139 -5.607 -41.232 716 2HB CYS 97 2HB CYS 97 -1.534 -6.266 -41.547 717 HA PRO 98 HA PRO 98 -0.909 -11.316 -39.963 718 1HB PRO 98 1HB PRO 98 -3.552 -12.760 -40.164 719 2HB PRO 98 2HB PRO 98 -2.162 -13.100 -39.089 720 1HG PRO 98 1HG PRO 98 -4.393 -11.889 -38.125 721 2HG PRO 98 2HG PRO 98 -2.767 -11.320 -37.622 722 1HD PRO 98 1HD PRO 98 -4.589 -10.146 -39.741 723 2HD PRO 98 2HD PRO 98 -3.680 -9.316 -38.440 724 H VAL 99 H VAL 99 -3.529 -10.584 -42.204 725 HA VAL 99 HA VAL 99 -3.070 -12.457 -44.297 726 HB VAL 99 HB VAL 99 -4.090 -9.590 -44.399 727 1HG1 VAL 99 1HG1 VAL 99 -4.364 -11.799 -46.477 728 2HG1 VAL 99 2HG1 VAL 99 -5.262 -10.262 -46.477 729 3HG1 VAL 99 3HG1 VAL 99 -3.517 -10.245 -46.679 730 1HG2 VAL 99 1HG2 VAL 99 -5.470 -11.036 -42.945 731 2HG2 VAL 99 2HG2 VAL 99 -6.334 -10.647 -44.432 732 3HG2 VAL 99 3HG2 VAL 99 -5.583 -12.244 -44.242 733 H CYS 100 H CYS 100 -1.314 -9.570 -43.411 734 HA CYS 100 HA CYS 100 0.574 -9.895 -45.721 735 1HB CYS 100 1HB CYS 100 -0.251 -7.421 -44.156 736 2HB CYS 100 2HB CYS 100 0.954 -7.489 -45.430 737 H ASN 101 H ASN 101 0.216 -10.125 -42.423 738 HA ASN 101 HA ASN 101 1.431 -10.365 -40.591 739 1HB ASN 101 1HB ASN 101 2.435 -12.154 -42.099 740 2HB ASN 101 2HB ASN 101 3.809 -11.077 -42.353 741 1HD2 ASN 101 1HD2 ASN 101 4.862 -10.285 -40.215 742 2HD2 ASN 101 2HD2 ASN 101 4.996 -11.506 -38.942 743 H MET 102 H MET 102 0.957 -7.973 -40.798 744 HA MET 102 HA MET 102 3.426 -6.430 -40.103 745 1HB MET 102 1HB MET 102 1.191 -5.432 -41.920 746 2HB MET 102 2HB MET 102 2.560 -4.480 -41.338 747 1HG MET 102 1HG MET 102 4.075 -6.195 -42.474 748 2HG MET 102 2HG MET 102 2.624 -6.787 -43.284 749 1HE MET 102 1HE MET 102 1.562 -3.572 -45.381 750 2HE MET 102 2HE MET 102 1.085 -5.208 -44.876 751 3HE MET 102 3HE MET 102 1.048 -3.866 -43.709 752 H THR 103 H THR 103 2.882 -4.303 -39.101 753 HA THR 103 HA THR 103 0.388 -4.232 -37.488 754 HB THR 103 HB THR 103 1.696 -3.395 -35.545 755 HG1 THR 103 HG1 THR 103 3.917 -4.577 -36.846 756 1HG2 THR 103 1HG2 THR 103 2.447 -5.578 -34.730 757 2HG2 THR 103 2HG2 THR 103 0.884 -5.702 -35.550 758 3HG2 THR 103 3HG2 THR 103 2.360 -6.251 -36.374 759 H PHE 104 H PHE 104 -0.075 -2.078 -36.600 760 HA PHE 104 HA PHE 104 1.103 0.138 -38.242 761 1HB PHE 104 1HB PHE 104 -1.846 -0.007 -37.609 762 2HB PHE 104 2HB PHE 104 -1.017 0.995 -38.776 763 HD1 PHE 104 HD1 PHE 104 0.090 -0.196 -40.830 764 HD2 PHE 104 HD2 PHE 104 -2.804 -2.077 -38.247 765 HE1 PHE 104 HE1 PHE 104 -0.410 -1.869 -42.599 766 HE2 PHE 104 HE2 PHE 104 -3.311 -3.733 -40.014 767 HZ PHE 104 HZ PHE 104 -2.096 -3.644 -42.192 768 H SER 105 H SER 105 1.319 2.111 -37.310 769 HA SER 105 HA SER 105 1.305 2.289 -34.399 770 1HB SER 105 1HB SER 105 2.316 4.522 -34.862 771 2HB SER 105 2HB SER 105 3.160 3.185 -35.662 772 HG SER 105 HG SER 105 2.801 4.971 -37.078 773 H SER 106 H SER 106 -1.063 2.980 -36.754 774 HA SER 106 HA SER 106 -2.722 4.482 -34.832 775 1HB SER 106 1HB SER 106 -1.689 6.324 -35.911 776 2HB SER 106 2HB SER 106 -1.729 5.538 -37.492 777 HG SER 106 HG SER 106 -3.333 7.232 -37.118 778 HA PRO 107 HA PRO 107 -5.788 1.889 -36.784 779 1HB PRO 107 1HB PRO 107 -8.122 3.215 -36.199 780 2HB PRO 107 2HB PRO 107 -7.158 2.325 -34.980 781 1HG PRO 107 1HG PRO 107 -7.093 5.296 -35.561 782 2HG PRO 107 2HG PRO 107 -7.255 4.478 -33.972 783 1HD PRO 107 1HD PRO 107 -4.857 5.365 -34.851 784 2HD PRO 107 2HD PRO 107 -4.984 3.808 -33.983 785 H VAL 108 H VAL 108 -5.500 5.314 -37.633 786 HA VAL 108 HA VAL 108 -7.212 5.259 -39.965 787 HB VAL 108 HB VAL 108 -4.823 7.080 -39.450 788 1HG1 VAL 108 1HG1 VAL 108 -7.327 7.415 -41.166 789 2HG1 VAL 108 2HG1 VAL 108 -6.101 8.670 -40.879 790 3HG1 VAL 108 3HG1 VAL 108 -5.667 7.207 -41.766 791 1HG2 VAL 108 1HG2 VAL 108 -6.501 8.687 -38.542 792 2HG2 VAL 108 2HG2 VAL 108 -7.743 7.417 -38.623 793 3HG2 VAL 108 3HG2 VAL 108 -6.347 7.252 -37.531 794 H VAL 109 H VAL 109 -3.759 4.572 -39.428 795 HA VAL 109 HA VAL 109 -3.041 4.175 -42.202 796 HB VAL 109 HB VAL 109 -1.763 3.036 -39.678 797 1HG1 VAL 109 1HG1 VAL 109 0.266 2.791 -41.074 798 2HG1 VAL 109 2HG1 VAL 109 -1.046 1.777 -41.680 799 3HG1 VAL 109 3HG1 VAL 109 -0.654 3.296 -42.508 800 1HG2 VAL 109 1HG2 VAL 109 -0.146 4.876 -39.924 801 2HG2 VAL 109 2HG2 VAL 109 -1.021 5.485 -41.345 802 3HG2 VAL 109 3HG2 VAL 109 -1.773 5.540 -39.743 803 H ALA 110 H ALA 110 -4.170 1.962 -39.610 804 HA ALA 110 HA ALA 110 -4.056 -0.448 -41.129 805 1HB ALA 110 1HB ALA 110 -5.983 0.273 -38.878 806 2HB ALA 110 2HB ALA 110 -5.455 -1.347 -39.377 807 3HB ALA 110 3HB ALA 110 -4.298 -0.222 -38.640 808 H GLU 111 H GLU 111 -6.827 1.813 -40.579 809 HA GLU 111 HA GLU 111 -8.737 0.462 -42.205 810 1HB GLU 111 1HB GLU 111 -8.376 3.371 -41.399 811 2HB GLU 111 2HB GLU 111 -9.730 2.850 -42.395 812 1HG GLU 111 1HG GLU 111 -9.151 1.607 -39.675 813 2HG GLU 111 2HG GLU 111 -10.148 3.042 -39.890 814 H SER 112 H SER 112 -6.337 2.969 -43.111 815 HA SER 112 HA SER 112 -7.134 3.189 -45.867 816 1HB SER 112 1HB SER 112 -5.738 4.839 -44.639 817 2HB SER 112 2HB SER 112 -4.409 3.666 -44.590 818 HG SER 112 HG SER 112 -4.263 5.168 -46.357 819 H HIS 113 H HIS 113 -4.694 1.122 -44.215 820 HA HIS 113 HA HIS 113 -3.632 -0.119 -46.543 821 1HB HIS 113 1HB HIS 113 -2.464 -0.178 -44.426 822 2HB HIS 113 2HB HIS 113 -3.791 -1.041 -43.648 823 HD1 HIS 113 HD1 HIS 113 -0.953 -1.687 -46.169 824 HD2 HIS 113 HD2 HIS 113 -4.065 -3.664 -44.139 825 HE1 HIS 113 HE1 HIS 113 -0.649 -4.184 -46.624 826 H TYR 114 H TYR 114 -6.290 -1.289 -44.364 827 HA TYR 114 HA TYR 114 -6.726 -3.752 -45.655 828 1HB TYR 114 1HB TYR 114 -8.784 -1.995 -44.289 829 2HB TYR 114 2HB TYR 114 -8.962 -3.709 -44.620 830 HD1 TYR 114 HD1 TYR 114 -6.333 -4.849 -43.725 831 HD2 TYR 114 HD2 TYR 114 -8.904 -1.863 -41.960 832 HE1 TYR 114 HE1 TYR 114 -5.450 -5.411 -41.475 833 HE2 TYR 114 HE2 TYR 114 -7.987 -2.404 -39.717 834 HH TYR 114 HH TYR 114 -5.530 -4.945 -39.185 835 H ILE 115 H ILE 115 -7.510 -0.657 -46.968 836 HA ILE 115 HA ILE 115 -9.267 -1.891 -49.060 837 HB ILE 115 HB ILE 115 -10.325 0.096 -49.434 838 1HG1 ILE 115 1HG1 ILE 115 -8.887 1.455 -47.120 839 2HG1 ILE 115 2HG1 ILE 115 -8.334 1.616 -48.793 840 1HG2 ILE 115 1HG2 ILE 115 -10.359 -0.415 -46.433 841 2HG2 ILE 115 2HG2 ILE 115 -11.682 0.202 -47.439 842 3HG2 ILE 115 3HG2 ILE 115 -11.129 -1.461 -47.647 843 1HD1 ILE 115 1HD1 ILE 115 -10.585 2.350 -49.472 844 2HD1 ILE 115 2HD1 ILE 115 -11.085 2.356 -47.766 845 3HD1 ILE 115 3HD1 ILE 115 -9.803 3.463 -48.315 846 H GLY 116 H GLY 116 -6.116 -1.133 -48.702 847 1HA GLY 116 1HA GLY 116 -5.708 0.263 -51.282 848 2HA GLY 116 2HA GLY 116 -4.487 -0.125 -50.077 849 H LYS 117 H LYS 117 -4.231 -0.529 -52.873 850 HA LYS 117 HA LYS 117 -4.728 -3.197 -53.746 851 1HB LYS 117 1HB LYS 117 -2.474 -1.331 -54.611 852 2HB LYS 117 2HB LYS 117 -3.054 -2.729 -55.502 853 1HG LYS 117 1HG LYS 117 -4.561 -0.137 -54.961 854 2HG LYS 117 2HG LYS 117 -3.905 -0.687 -56.494 855 1HD LYS 117 1HD LYS 117 -6.198 -2.019 -54.995 856 2HD LYS 117 2HD LYS 117 -6.381 -0.909 -56.341 857 1HE LYS 117 1HE LYS 117 -4.794 -3.498 -56.546 858 2HE LYS 117 2HE LYS 117 -6.531 -3.409 -56.872 859 1HZ LYS 117 1HZ LYS 117 -6.060 -1.786 -58.625 860 2HZ LYS 117 2HZ LYS 117 -4.451 -1.881 -58.349 861 3HZ LYS 117 3HZ LYS 117 -5.262 -3.177 -58.917 862 H THR 118 H THR 118 -2.068 -2.010 -51.752 863 HA THR 118 HA THR 118 -0.285 -4.210 -52.013 864 HB THR 118 HB THR 118 -0.806 -2.573 -49.498 865 HG1 THR 118 HG1 THR 118 0.765 -1.196 -50.355 866 1HG2 THR 118 1HG2 THR 118 0.729 -4.470 -49.106 867 2HG2 THR 118 2HG2 THR 118 1.696 -3.998 -50.521 868 3HG2 THR 118 3HG2 THR 118 1.621 -2.946 -49.090 869 H HIS 119 H HIS 119 -3.109 -3.783 -49.839 870 HA HIS 119 HA HIS 119 -2.800 -6.274 -48.410 871 1HB HIS 119 1HB HIS 119 -4.105 -4.309 -47.649 872 2HB HIS 119 2HB HIS 119 -5.285 -4.588 -48.930 873 HD2 HIS 119 HD2 HIS 119 -7.283 -6.123 -48.285 874 HE1 HIS 119 HE1 HIS 119 -5.715 -7.828 -44.703 875 HE2 HIS 119 HE2 HIS 119 -7.772 -7.661 -46.202 876 H ILE 120 H ILE 120 -4.669 -5.321 -51.294 877 HA ILE 120 HA ILE 120 -5.920 -7.849 -51.773 878 HB ILE 120 HB ILE 120 -5.353 -5.548 -53.661 879 1HG1 ILE 120 1HG1 ILE 120 -7.781 -6.359 -51.979 880 2HG1 ILE 120 2HG1 ILE 120 -6.734 -4.975 -51.684 881 1HG2 ILE 120 1HG2 ILE 120 -5.774 -7.670 -54.915 882 2HG2 ILE 120 2HG2 ILE 120 -7.280 -7.896 -54.002 883 3HG2 ILE 120 3HG2 ILE 120 -7.083 -6.522 -55.114 884 1HD1 ILE 120 1HD1 ILE 120 -8.648 -5.280 -54.014 885 2HD1 ILE 120 2HD1 ILE 120 -8.724 -4.135 -52.670 886 3HD1 ILE 120 3HD1 ILE 120 -7.432 -3.983 -53.876 887 H LYS 121 H LYS 121 -2.815 -6.515 -52.966 888 HA LYS 121 HA LYS 121 -2.094 -8.705 -54.671 889 1HB LYS 121 1HB LYS 121 -1.000 -6.478 -54.654 890 2HB LYS 121 2HB LYS 121 -0.321 -6.817 -53.055 891 1HG LYS 121 1HG LYS 121 1.012 -8.673 -53.980 892 2HG LYS 121 2HG LYS 121 0.219 -8.491 -55.548 893 1HD LYS 121 1HD LYS 121 2.419 -7.514 -55.655 894 2HD LYS 121 2HD LYS 121 1.214 -6.225 -55.788 895 1HE LYS 121 1HE LYS 121 1.551 -5.658 -53.393 896 2HE LYS 121 2HE LYS 121 2.704 -6.989 -53.230 897 1HZ LYS 121 1HZ LYS 121 4.134 -5.859 -54.849 898 2HZ LYS 121 2HZ LYS 121 3.071 -4.629 -55.003 899 3HZ LYS 121 3HZ LYS 121 3.842 -4.872 -53.586 900 H ASN 122 H ASN 122 -1.669 -8.250 -51.170 901 HA ASN 122 HA ASN 122 -0.142 -10.665 -50.753 902 1HB ASN 122 1HB ASN 122 -1.625 -8.740 -48.969 903 2HB ASN 122 2HB ASN 122 -1.086 -10.284 -48.330 904 1HD2 ASN 122 1HD2 ASN 122 0.073 -7.208 -49.727 905 2HD2 ASN 122 2HD2 ASN 122 1.728 -7.459 -49.177 906 H LEU 123 H LEU 123 -3.645 -10.172 -51.137 907 HA LEU 123 HA LEU 123 -4.488 -12.714 -50.065 908 1HB LEU 123 1HB LEU 123 -5.748 -11.313 -52.453 909 2HB LEU 123 2HB LEU 123 -6.505 -12.449 -51.355 910 HG LEU 123 HG LEU 123 -5.635 -9.629 -50.660 911 1HD1 LEU 123 1HD1 LEU 123 -8.028 -9.107 -50.646 912 2HD1 LEU 123 2HD1 LEU 123 -7.537 -9.717 -52.235 913 3HD1 LEU 123 3HD1 LEU 123 -8.412 -10.778 -51.113 914 1HD2 LEU 123 1HD2 LEU 123 -7.298 -11.556 -49.013 915 2HD2 LEU 123 2HD2 LEU 123 -5.616 -11.074 -48.679 916 3HD2 LEU 123 3HD2 LEU 123 -6.906 -9.858 -48.623 917 H ARG 124 H ARG 124 -3.482 -11.670 -53.330 918 HA ARG 124 HA ARG 124 -3.669 -14.267 -54.601 919 1HB ARG 124 1HB ARG 124 -1.962 -11.858 -55.383 920 2HB ARG 124 2HB ARG 124 -2.315 -13.268 -56.387 921 1HG ARG 124 1HG ARG 124 -4.789 -12.701 -56.156 922 2HG ARG 124 2HG ARG 124 -4.301 -11.165 -55.422 923 1HD ARG 124 1HD ARG 124 -3.525 -12.160 -58.198 924 2HD ARG 124 2HD ARG 124 -4.782 -10.982 -57.864 925 HE ARG 124 HE ARG 124 -1.856 -10.579 -57.772 926 1HH1 ARG 124 1HH1 ARG 124 -4.948 -9.098 -57.060 927 2HH1 ARG 124 2HH1 ARG 124 -4.286 -7.486 -57.105 928 1HH2 ARG 124 1HH2 ARG 124 -1.086 -8.506 -57.825 929 2HH2 ARG 124 2HH2 ARG 124 -2.148 -7.170 -57.498 930 H LEU 125 H LEU 125 -1.066 -12.626 -52.846 931 HA LEU 125 HA LEU 125 0.999 -14.507 -53.436 932 1HB LEU 125 1HB LEU 125 0.929 -12.101 -52.195 933 2HB LEU 125 2HB LEU 125 0.935 -13.115 -50.770 934 HG LEU 125 HG LEU 125 3.169 -12.489 -51.198 935 1HD1 LEU 125 1HD1 LEU 125 2.915 -14.952 -50.711 936 2HD1 LEU 125 2HD1 LEU 125 3.058 -15.259 -52.453 937 3HD1 LEU 125 3HD1 LEU 125 4.400 -14.511 -51.572 938 1HD2 LEU 125 1HD2 LEU 125 2.867 -13.410 -54.087 939 2HD2 LEU 125 2HD2 LEU 125 2.888 -11.726 -53.522 940 3HD2 LEU 125 3HD2 LEU 125 4.327 -12.739 -53.334 941 H ARG 126 H ARG 126 -1.336 -14.385 -50.669 942 HA ARG 126 HA ARG 126 -0.556 -16.874 -49.433 943 1HB ARG 126 1HB ARG 126 -2.946 -15.033 -49.335 944 2HB ARG 126 2HB ARG 126 -3.202 -16.699 -48.859 945 1HG ARG 126 1HG ARG 126 -2.790 -15.586 -46.891 946 2HG ARG 126 2HG ARG 126 -1.328 -16.514 -47.201 947 1HD ARG 126 1HD ARG 126 -1.618 -13.558 -47.871 948 2HD ARG 126 2HD ARG 126 -1.116 -14.134 -46.279 949 HE ARG 126 HE ARG 126 0.624 -15.394 -48.055 950 1HH1 ARG 126 1HH1 ARG 126 -0.084 -12.123 -47.077 951 2HH1 ARG 126 2HH1 ARG 126 1.418 -11.486 -47.706 952 1HH2 ARG 126 1HH2 ARG 126 2.698 -14.605 -48.462 953 2HH2 ARG 126 2HH2 ARG 126 3.023 -12.909 -48.256 954 H GLU 127 H GLU 127 -2.981 -16.193 -51.963 955 HA GLU 127 HA GLU 127 -3.971 -18.875 -52.176 956 1HB GLU 127 1HB GLU 127 -5.112 -16.813 -52.969 957 2HB GLU 127 2HB GLU 127 -3.924 -16.661 -54.269 958 1HG GLU 127 1HG GLU 127 -4.674 -18.792 -55.240 959 2HG GLU 127 2HG GLU 127 -5.758 -19.064 -53.872 960 H GLN 128 H GLN 128 -1.247 -17.262 -53.779 961 HA GLN 128 HA GLN 128 -0.191 -19.863 -54.741 962 1HB GLN 128 1HB GLN 128 -1.570 -18.838 -56.572 963 2HB GLN 128 2HB GLN 128 -0.548 -17.394 -56.504 964 1HG GLN 128 1HG GLN 128 1.418 -18.742 -57.170 965 2HG GLN 128 2HG GLN 128 0.446 -20.215 -57.095 966 1HE2 GLN 128 1HE2 GLN 128 0.349 -20.891 -59.259 967 2HE2 GLN 128 2HE2 GLN 128 -0.189 -19.843 -60.565 Start of MODEL 19 1 1H ALA 2 1H ALA 2 -36.767 3.392 1.144 2 HA ALA 2 HA ALA 2 -39.133 4.082 2.813 3 1HB ALA 2 1HB ALA 2 -39.247 1.656 2.288 4 2HB ALA 2 2HB ALA 2 -37.616 1.437 2.963 5 3HB ALA 2 3HB ALA 2 -38.962 1.940 4.011 6 H ASP 3 H ASP 3 -36.216 5.108 2.297 7 HA ASP 3 HA ASP 3 -35.623 5.731 5.123 8 1HB ASP 3 1HB ASP 3 -34.347 3.628 4.481 9 2HB ASP 3 2HB ASP 3 -33.505 4.577 3.259 10 H GLU 4 H GLU 4 -34.301 7.602 5.382 11 HA GLU 4 HA GLU 4 -34.695 9.650 3.367 12 1HB GLU 4 1HB GLU 4 -33.320 9.611 6.086 13 2HB GLU 4 2HB GLU 4 -33.426 11.045 5.078 14 1HG GLU 4 1HG GLU 4 -35.170 11.199 6.672 15 2HG GLU 4 2HG GLU 4 -35.883 10.947 5.085 16 H PHE 5 H PHE 5 -32.141 7.383 3.674 17 HA PHE 5 HA PHE 5 -30.337 9.090 2.002 18 1HB PHE 5 1HB PHE 5 -29.624 9.016 4.381 19 2HB PHE 5 2HB PHE 5 -29.553 7.264 4.300 20 HD1 PHE 5 HD1 PHE 5 -28.148 10.353 2.663 21 HD2 PHE 5 HD2 PHE 5 -27.504 6.222 3.730 22 HE1 PHE 5 HE1 PHE 5 -25.794 10.513 1.879 23 HE2 PHE 5 HE2 PHE 5 -25.152 6.388 2.950 24 HZ PHE 5 HZ PHE 5 -24.295 8.531 2.025 25 H GLY 6 H GLY 6 -28.666 7.828 0.839 26 1HA GLY 6 1HA GLY 6 -28.873 5.042 0.269 27 2HA GLY 6 2HA GLY 6 -29.772 5.950 -0.951 28 H ASN 7 H ASN 7 -27.920 4.650 -2.105 29 HA ASN 7 HA ASN 7 -25.236 5.577 -2.068 30 1HB ASN 7 1HB ASN 7 -24.969 4.291 -4.099 31 2HB ASN 7 2HB ASN 7 -25.981 3.394 -2.982 32 1HD2 ASN 7 1HD2 ASN 7 -25.752 4.580 -6.194 33 2HD2 ASN 7 2HD2 ASN 7 -27.419 4.257 -6.641 34 H GLY 8 H GLY 8 -24.020 6.829 -3.531 35 1HA GLY 8 1HA GLY 8 -24.738 8.325 -5.733 36 2HA GLY 8 2HA GLY 8 -25.285 9.310 -4.374 37 H ASP 9 H ASP 9 -23.780 10.904 -5.077 38 HA ASP 9 HA ASP 9 -20.940 10.622 -5.221 39 1HB ASP 9 1HB ASP 9 -22.318 12.434 -6.216 40 2HB ASP 9 2HB ASP 9 -22.704 13.030 -4.602 41 H ALA 10 H ALA 10 -22.941 10.570 -2.471 42 HA ALA 10 HA ALA 10 -21.552 11.919 -0.463 43 1HB ALA 10 1HB ALA 10 -23.288 9.420 -0.281 44 2HB ALA 10 2HB ALA 10 -22.958 10.567 1.036 45 3HB ALA 10 3HB ALA 10 -23.884 11.094 -0.374 46 H LEU 11 H LEU 11 -20.822 10.778 1.585 47 HA LEU 11 HA LEU 11 -18.900 8.576 1.231 48 1HB LEU 11 1HB LEU 11 -17.677 10.684 0.727 49 2HB LEU 11 2HB LEU 11 -18.257 11.383 2.237 50 HG LEU 11 HG LEU 11 -16.966 9.649 3.505 51 1HD1 LEU 11 1HD1 LEU 11 -15.793 8.973 0.775 52 2HD1 LEU 11 2HD1 LEU 11 -15.196 8.390 2.340 53 3HD1 LEU 11 3HD1 LEU 11 -16.786 7.883 1.770 54 1HD2 LEU 11 1HD2 LEU 11 -16.074 11.898 3.057 55 2HD2 LEU 11 2HD2 LEU 11 -14.779 10.693 3.075 56 3HD2 LEU 11 3HD2 LEU 11 -15.370 11.329 1.528 57 H ASP 12 H ASP 12 -18.941 7.305 2.954 58 HA ASP 12 HA ASP 12 -20.510 8.085 5.370 59 1HB ASP 12 1HB ASP 12 -21.477 6.388 3.814 60 2HB ASP 12 2HB ASP 12 -20.104 5.335 4.153 61 H LEU 13 H LEU 13 -17.829 8.812 5.308 62 HA LEU 13 HA LEU 13 -16.068 6.982 6.557 63 1HB LEU 13 1HB LEU 13 -14.601 8.759 6.850 64 2HB LEU 13 2HB LEU 13 -15.460 9.121 5.369 65 HG LEU 13 HG LEU 13 -15.917 10.427 8.095 66 1HD1 LEU 13 1HD1 LEU 13 -14.893 12.393 7.068 67 2HD1 LEU 13 2HD1 LEU 13 -13.786 11.021 7.002 68 3HD1 LEU 13 3HD1 LEU 13 -14.670 11.505 5.537 69 1HD2 LEU 13 1HD2 LEU 13 -18.023 10.508 6.817 70 2HD2 LEU 13 2HD2 LEU 13 -17.276 12.099 6.877 71 3HD2 LEU 13 3HD2 LEU 13 -17.154 11.132 5.392 72 HA PRO 14 HA PRO 14 -17.223 6.576 10.771 73 1HB PRO 14 1HB PRO 14 -14.442 7.505 11.525 74 2HB PRO 14 2HB PRO 14 -15.365 6.102 12.148 75 1HG PRO 14 1HG PRO 14 -13.446 5.750 10.292 76 2HG PRO 14 2HG PRO 14 -15.017 4.895 10.123 77 1HD PRO 14 1HD PRO 14 -14.090 7.417 8.723 78 2HD PRO 14 2HD PRO 14 -14.936 5.993 8.050 79 H VAL 15 H VAL 15 -18.101 7.681 12.445 80 HA VAL 15 HA VAL 15 -17.366 10.464 13.042 81 HB VAL 15 HB VAL 15 -19.020 10.480 11.159 82 1HG1 VAL 15 1HG1 VAL 15 -21.367 10.063 11.537 83 2HG1 VAL 15 2HG1 VAL 15 -20.445 8.585 11.836 84 3HG1 VAL 15 3HG1 VAL 15 -21.063 9.541 13.202 85 1HG2 VAL 15 1HG2 VAL 15 -20.322 12.314 11.917 86 2HG2 VAL 15 2HG2 VAL 15 -20.081 11.892 13.617 87 3HG2 VAL 15 3HG2 VAL 15 -18.706 12.434 12.628 88 H GLY 16 H GLY 16 -17.172 7.899 14.383 89 1HA GLY 16 1HA GLY 16 -17.813 8.681 17.040 90 2HA GLY 16 2HA GLY 16 -19.022 7.514 16.498 91 H LYS 17 H LYS 17 -17.529 6.905 18.632 92 HA LYS 17 HA LYS 17 -15.033 5.603 18.344 93 1HB LYS 17 1HB LYS 17 -17.287 4.738 20.221 94 2HB LYS 17 2HB LYS 17 -15.564 4.500 20.456 95 1HG LYS 17 1HG LYS 17 -17.066 7.151 20.572 96 2HG LYS 17 2HG LYS 17 -16.458 6.208 21.933 97 1HD LYS 17 1HD LYS 17 -14.134 6.479 21.020 98 2HD LYS 17 2HD LYS 17 -14.772 7.609 19.815 99 1HE LYS 17 1HE LYS 17 -14.990 7.915 22.851 100 2HE LYS 17 2HE LYS 17 -13.769 8.699 21.850 101 1HZ LYS 17 1HZ LYS 17 -16.697 9.173 21.647 102 2HZ LYS 17 2HZ LYS 17 -15.604 10.201 22.276 103 3HZ LYS 17 3HZ LYS 17 -15.572 9.871 20.681 104 H ASP 18 H ASP 18 -18.294 4.219 18.006 105 HA ASP 18 HA ASP 18 -17.486 1.491 17.668 106 1HB ASP 18 1HB ASP 18 -19.997 2.962 16.762 107 2HB ASP 18 2HB ASP 18 -19.785 1.213 16.715 108 H ALA 19 H ALA 19 -18.159 4.059 15.235 109 HA ALA 19 HA ALA 19 -17.841 2.374 12.949 110 1HB ALA 19 1HB ALA 19 -18.967 4.549 12.832 111 2HB ALA 19 2HB ALA 19 -17.445 5.382 13.238 112 3HB ALA 19 3HB ALA 19 -17.590 4.485 11.707 113 H VAL 20 H VAL 20 -15.417 4.366 14.761 114 HA VAL 20 HA VAL 20 -13.284 3.844 12.868 115 HB VAL 20 HB VAL 20 -13.242 4.667 15.795 116 1HG1 VAL 20 1HG1 VAL 20 -10.960 4.306 13.823 117 2HG1 VAL 20 2HG1 VAL 20 -10.829 5.364 15.244 118 3HG1 VAL 20 3HG1 VAL 20 -11.106 3.636 15.459 119 1HG2 VAL 20 1HG2 VAL 20 -12.587 6.867 14.805 120 2HG2 VAL 20 2HG2 VAL 20 -12.785 6.181 13.181 121 3HG2 VAL 20 3HG2 VAL 20 -14.183 6.347 14.267 122 H ASN 21 H ASN 21 -14.189 2.186 15.946 123 HA ASN 21 HA ASN 21 -12.051 0.250 15.723 124 1HB ASN 21 1HB ASN 21 -14.627 0.330 17.339 125 2HB ASN 21 2HB ASN 21 -13.485 -1.012 17.417 126 1HD2 ASN 21 1HD2 ASN 21 -14.058 2.273 18.458 127 2HD2 ASN 21 2HD2 ASN 21 -12.571 2.396 19.393 128 H SER 22 H SER 22 -15.417 0.235 14.501 129 HA SER 22 HA SER 22 -15.369 -2.484 13.528 130 1HB SER 22 1HB SER 22 -16.962 -0.094 12.506 131 2HB SER 22 2HB SER 22 -17.243 -1.795 12.090 132 HG SER 22 HG SER 22 -17.519 -0.508 14.602 133 H LEU 23 H LEU 23 -14.536 0.656 11.953 134 HA LEU 23 HA LEU 23 -13.941 -0.421 9.387 135 1HB LEU 23 1HB LEU 23 -14.341 1.998 9.957 136 2HB LEU 23 2HB LEU 23 -12.787 2.034 10.790 137 HG LEU 23 HG LEU 23 -11.664 1.489 8.594 138 1HD1 LEU 23 1HD1 LEU 23 -13.577 0.453 7.395 139 2HD1 LEU 23 2HD1 LEU 23 -14.466 1.986 7.477 140 3HD1 LEU 23 3HD1 LEU 23 -12.978 1.860 6.512 141 1HD2 LEU 23 1HD2 LEU 23 -13.444 3.950 8.549 142 2HD2 LEU 23 2HD2 LEU 23 -11.905 3.820 9.434 143 3HD2 LEU 23 3HD2 LEU 23 -11.921 3.732 7.662 144 H ILE 24 H ILE 24 -11.856 0.062 12.251 145 HA ILE 24 HA ILE 24 -9.399 -0.847 11.067 146 HB ILE 24 HB ILE 24 -10.405 -0.814 13.936 147 1HG1 ILE 24 1HG1 ILE 24 -8.218 0.893 12.669 148 2HG1 ILE 24 2HG1 ILE 24 -9.902 1.388 12.659 149 1HG2 ILE 24 1HG2 ILE 24 -8.742 -2.590 13.852 150 2HG2 ILE 24 2HG2 ILE 24 -7.656 -1.577 12.879 151 3HG2 ILE 24 3HG2 ILE 24 -7.982 -1.191 14.585 152 1HD1 ILE 24 1HD1 ILE 24 -8.916 2.460 14.546 153 2HD1 ILE 24 2HD1 ILE 24 -9.921 1.162 15.195 154 3HD1 ILE 24 3HD1 ILE 24 -8.153 0.971 15.113 155 H ARG 25 H ARG 25 -11.910 -2.622 12.954 156 HA ARG 25 HA ARG 25 -10.698 -5.188 12.838 157 1HB ARG 25 1HB ARG 25 -12.542 -4.475 14.362 158 2HB ARG 25 2HB ARG 25 -13.655 -4.481 12.999 159 1HG ARG 25 1HG ARG 25 -13.901 -6.504 14.321 160 2HG ARG 25 2HG ARG 25 -13.351 -6.883 12.691 161 1HD ARG 25 1HD ARG 25 -12.227 -8.284 14.343 162 2HD ARG 25 2HD ARG 25 -11.066 -7.254 13.499 163 HE ARG 25 HE ARG 25 -11.989 -6.016 15.952 164 1HH1 ARG 25 1HH1 ARG 25 -9.784 -8.521 14.885 165 2HH1 ARG 25 2HH1 ARG 25 -8.764 -8.348 16.287 166 1HH2 ARG 25 1HH2 ARG 25 -10.642 -5.843 17.712 167 2HH2 ARG 25 2HH2 ARG 25 -9.248 -6.874 17.844 168 H GLU 26 H GLU 26 -13.045 -3.740 10.576 169 HA GLU 26 HA GLU 26 -13.212 -6.084 8.872 170 1HB GLU 26 1HB GLU 26 -14.005 -3.168 8.515 171 2HB GLU 26 2HB GLU 26 -14.315 -4.395 7.292 172 1HG GLU 26 1HG GLU 26 -15.371 -4.564 10.148 173 2HG GLU 26 2HG GLU 26 -16.263 -3.899 8.787 174 H ASN 27 H ASN 27 -10.757 -3.681 9.101 175 HA ASN 27 HA ASN 27 -9.575 -4.577 6.507 176 1HB ASN 27 1HB ASN 27 -9.708 -1.731 7.538 177 2HB ASN 27 2HB ASN 27 -8.893 -2.243 6.068 178 1HD2 ASN 27 1HD2 ASN 27 -11.958 -1.501 7.528 179 2HD2 ASN 27 2HD2 ASN 27 -12.893 -1.598 6.026 180 H SER 28 H SER 28 -8.941 -5.653 9.034 181 HA SER 28 HA SER 28 -6.819 -4.553 10.448 182 1HB SER 28 1HB SER 28 -6.342 -6.849 11.186 183 2HB SER 28 2HB SER 28 -8.072 -6.462 11.214 184 HG SER 28 HG SER 28 -7.655 -8.525 10.272 185 H HIS 29 H HIS 29 -6.599 -5.775 7.225 186 HA HIS 29 HA HIS 29 -3.755 -6.405 7.218 187 1HB HIS 29 1HB HIS 29 -4.100 -6.669 4.819 188 2HB HIS 29 2HB HIS 29 -5.333 -7.528 5.728 189 HD2 HIS 29 HD2 HIS 29 -5.120 -5.661 2.692 190 HE1 HIS 29 HE1 HIS 29 -8.980 -4.539 4.116 191 HE2 HIS 29 HE2 HIS 29 -7.438 -4.564 2.090 192 H ILE 30 H ILE 30 -5.583 -3.453 6.883 193 HA ILE 30 HA ILE 30 -3.096 -1.975 6.110 194 HB ILE 30 HB ILE 30 -4.507 -0.394 4.823 195 1HG1 ILE 30 1HG1 ILE 30 -6.653 -2.552 5.003 196 2HG1 ILE 30 2HG1 ILE 30 -6.708 -0.993 5.824 197 1HG2 ILE 30 1HG2 ILE 30 -4.483 -1.718 2.796 198 2HG2 ILE 30 2HG2 ILE 30 -3.090 -2.148 3.788 199 3HG2 ILE 30 3HG2 ILE 30 -4.497 -3.227 3.732 200 1HD1 ILE 30 1HD1 ILE 30 -6.691 0.153 3.604 201 2HD1 ILE 30 2HD1 ILE 30 -6.774 -1.443 2.816 202 3HD1 ILE 30 3HD1 ILE 30 -8.097 -0.897 3.859 203 H PHE 31 H PHE 31 -5.813 -2.074 8.258 204 HA PHE 31 HA PHE 31 -4.916 0.501 9.517 205 1HB PHE 31 1HB PHE 31 -7.685 -0.723 9.583 206 2HB PHE 31 2HB PHE 31 -7.211 0.810 10.283 207 HD1 PHE 31 HD1 PHE 31 -5.628 1.727 7.613 208 HD2 PHE 31 HD2 PHE 31 -9.572 0.255 8.517 209 HE1 PHE 31 HE1 PHE 31 -6.477 2.685 5.493 210 HE2 PHE 31 HE2 PHE 31 -10.418 1.199 6.382 211 HZ PHE 31 HZ PHE 31 -8.861 2.360 4.844 212 H SER 32 H SER 32 -4.823 0.485 11.773 213 HA SER 32 HA SER 32 -5.505 -1.941 13.298 214 1HB SER 32 1HB SER 32 -3.312 -2.356 14.158 215 2HB SER 32 2HB SER 32 -3.219 -2.400 12.394 216 HG SER 32 HG SER 32 -2.470 -0.220 12.475 217 H ASP 33 H ASP 33 -4.964 -1.650 15.634 218 HA ASP 33 HA ASP 33 -6.202 0.656 16.702 219 1HB ASP 33 1HB ASP 33 -6.041 -1.644 17.693 220 2HB ASP 33 2HB ASP 33 -4.337 -1.347 18.043 221 H THR 34 H THR 34 -2.864 0.236 15.762 222 HA THR 34 HA THR 34 -2.130 2.826 17.041 223 HB THR 34 HB THR 34 0.124 1.904 17.527 224 HG1 THR 34 HG1 THR 34 0.349 -0.343 17.510 225 1HG2 THR 34 1HG2 THR 34 -2.081 0.310 18.890 226 2HG2 THR 34 2HG2 THR 34 -0.459 0.676 19.518 227 3HG2 THR 34 3HG2 THR 34 -1.633 1.983 19.290 228 H GLN 35 H GLN 35 -2.450 1.489 14.015 229 HA GLN 35 HA GLN 35 -0.729 3.544 12.870 230 1HB GLN 35 1HB GLN 35 0.864 1.627 13.410 231 2HB GLN 35 2HB GLN 35 -0.072 0.603 12.328 232 1HG GLN 35 1HG GLN 35 0.558 2.083 10.413 233 2HG GLN 35 2HG GLN 35 1.417 3.140 11.541 234 1HE2 GLN 35 1HE2 GLN 35 3.543 2.866 10.745 235 2HE2 GLN 35 2HE2 GLN 35 4.333 1.296 10.740 236 H CYS 36 H CYS 36 -1.176 4.025 10.750 237 HA CYS 36 HA CYS 36 -3.265 2.421 9.285 238 1HB CYS 36 1HB CYS 36 -4.155 4.620 9.973 239 2HB CYS 36 2HB CYS 36 -2.760 5.419 9.230 240 H LYS 37 H LYS 37 -2.313 1.364 7.599 241 HA LYS 37 HA LYS 37 0.325 2.144 6.564 242 1HB LYS 37 1HB LYS 37 -1.641 0.059 5.519 243 2HB LYS 37 2HB LYS 37 0.062 0.223 5.087 244 1HG LYS 37 1HG LYS 37 0.659 -0.221 7.516 245 2HG LYS 37 2HG LYS 37 -1.061 -0.575 7.805 246 1HD LYS 37 1HD LYS 37 -0.909 -2.238 5.865 247 2HD LYS 37 2HD LYS 37 0.844 -1.999 5.907 248 1HE LYS 37 1HE LYS 37 0.973 -2.861 8.179 249 2HE LYS 37 2HE LYS 37 -0.790 -2.855 8.337 250 1HZ LYS 37 1HZ LYS 37 -0.917 -4.548 6.613 251 2HZ LYS 37 2HZ LYS 37 0.717 -4.580 6.447 252 3HZ LYS 37 3HZ LYS 37 0.029 -5.084 7.841 253 H VAL 38 H VAL 38 -3.015 2.549 5.366 254 HA VAL 38 HA VAL 38 -2.322 3.263 2.665 255 HB VAL 38 HB VAL 38 -4.709 4.155 4.335 256 1HG1 VAL 38 1HG1 VAL 38 -4.487 5.699 2.456 257 2HG1 VAL 38 2HG1 VAL 38 -4.214 4.347 1.331 258 3HG1 VAL 38 3HG1 VAL 38 -5.792 4.571 2.111 259 1HG2 VAL 38 1HG2 VAL 38 -5.892 2.401 3.003 260 2HG2 VAL 38 2HG2 VAL 38 -4.342 1.927 2.281 261 3HG2 VAL 38 3HG2 VAL 38 -4.620 1.722 4.022 262 H CYS 39 H CYS 39 -2.556 5.236 5.633 263 HA CYS 39 HA CYS 39 -1.579 7.632 4.191 264 1HB CYS 39 1HB CYS 39 -2.635 7.211 7.001 265 2HB CYS 39 2HB CYS 39 -2.287 8.756 6.234 266 H SER 40 H SER 40 -0.087 5.032 5.404 267 HA SER 40 HA SER 40 1.681 4.452 6.672 268 1HB SER 40 1HB SER 40 2.914 6.661 4.953 269 2HB SER 40 2HB SER 40 3.799 5.325 5.714 270 HG SER 40 HG SER 40 3.308 4.897 3.518 271 H ALA 41 H ALA 41 0.413 5.622 8.472 272 HA ALA 41 HA ALA 41 2.321 7.397 9.957 273 1HB ALA 41 1HB ALA 41 -0.673 7.865 9.619 274 2HB ALA 41 2HB ALA 41 0.425 8.826 10.635 275 3HB ALA 41 3HB ALA 41 0.628 8.821 8.873 276 H VAL 42 H VAL 42 2.414 7.206 12.109 277 HA VAL 42 HA VAL 42 1.192 4.821 13.365 278 HB VAL 42 HB VAL 42 3.307 6.785 14.366 279 1HG1 VAL 42 1HG1 VAL 42 2.403 4.125 15.563 280 2HG1 VAL 42 2HG1 VAL 42 3.819 5.061 16.082 281 3HG1 VAL 42 3HG1 VAL 42 2.208 5.734 16.303 282 1HG2 VAL 42 1HG2 VAL 42 4.881 4.905 13.979 283 2HG2 VAL 42 2HG2 VAL 42 3.559 3.934 13.299 284 3HG2 VAL 42 3HG2 VAL 42 4.115 5.408 12.473 285 H LEU 43 H LEU 43 -0.030 4.889 15.195 286 HA LEU 43 HA LEU 43 -1.443 7.426 15.912 287 1HB LEU 43 1HB LEU 43 -2.628 4.642 15.579 288 2HB LEU 43 2HB LEU 43 -3.505 6.108 15.964 289 HG LEU 43 HG LEU 43 -2.013 5.629 13.334 290 1HD1 LEU 43 1HD1 LEU 43 -3.887 4.069 13.592 291 2HD1 LEU 43 2HD1 LEU 43 -4.983 5.433 13.882 292 3HD1 LEU 43 3HD1 LEU 43 -4.173 5.266 12.319 293 1HD2 LEU 43 1HD2 LEU 43 -3.302 7.541 12.522 294 2HD2 LEU 43 2HD2 LEU 43 -4.024 7.774 14.133 295 3HD2 LEU 43 3HD2 LEU 43 -2.287 8.031 13.877 296 H ILE 44 H ILE 44 0.234 7.502 17.516 297 HA ILE 44 HA ILE 44 0.905 5.624 19.426 298 HB ILE 44 HB ILE 44 1.791 7.479 20.756 299 1HG1 ILE 44 1HG1 ILE 44 0.391 9.337 18.774 300 2HG1 ILE 44 2HG1 ILE 44 -0.098 9.080 20.450 301 1HG2 ILE 44 1HG2 ILE 44 2.954 6.572 18.726 302 2HG2 ILE 44 2HG2 ILE 44 2.297 7.929 17.784 303 3HG2 ILE 44 3HG2 ILE 44 3.404 8.225 19.136 304 1HD1 ILE 44 1HD1 ILE 44 1.148 11.133 20.315 305 2HD1 ILE 44 2HD1 ILE 44 2.120 9.948 21.212 306 3HD1 ILE 44 3HD1 ILE 44 2.510 10.335 19.516 307 H SER 45 H SER 45 -2.176 7.136 19.452 308 HA SER 45 HA SER 45 -2.877 5.798 21.953 309 1HB SER 45 1HB SER 45 -1.972 8.047 22.685 310 2HB SER 45 2HB SER 45 -3.266 8.813 21.743 311 HG SER 45 HG SER 45 -3.814 8.505 23.971 312 H GLU 46 H GLU 46 -5.226 5.852 22.321 313 HA GLU 46 HA GLU 46 -6.777 5.399 19.962 314 1HB GLU 46 1HB GLU 46 -7.240 4.367 22.111 315 2HB GLU 46 2HB GLU 46 -7.689 5.930 22.813 316 1HG GLU 46 1HG GLU 46 -9.661 6.082 21.509 317 2HG GLU 46 2HG GLU 46 -9.078 4.923 20.314 318 H SER 47 H SER 47 -6.362 8.418 21.873 319 HA SER 47 HA SER 47 -8.486 9.871 20.586 320 1HB SER 47 1HB SER 47 -7.188 11.884 21.317 321 2HB SER 47 2HB SER 47 -7.581 10.730 22.602 322 HG SER 47 HG SER 47 -5.401 11.403 22.739 323 H GLN 48 H GLN 48 -5.048 9.412 19.731 324 HA GLN 48 HA GLN 48 -5.139 11.086 17.348 325 1HB GLN 48 1HB GLN 48 -3.182 9.093 18.513 326 2HB GLN 48 2HB GLN 48 -3.055 9.512 16.808 327 1HG GLN 48 1HG GLN 48 -1.587 10.928 18.138 328 2HG GLN 48 2HG GLN 48 -2.815 11.874 17.308 329 1HE2 GLN 48 1HE2 GLN 48 -1.810 10.631 20.525 330 2HE2 GLN 48 2HE2 GLN 48 -2.795 11.781 21.415 331 H LYS 49 H LYS 49 -5.582 7.571 17.951 332 HA LYS 49 HA LYS 49 -5.930 6.847 15.194 333 1HB LYS 49 1HB LYS 49 -5.930 4.802 16.080 334 2HB LYS 49 2HB LYS 49 -5.875 5.510 17.682 335 1HG LYS 49 1HG LYS 49 -8.377 5.475 17.754 336 2HG LYS 49 2HG LYS 49 -8.380 4.673 16.175 337 1HD LYS 49 1HD LYS 49 -7.160 2.751 17.169 338 2HD LYS 49 2HD LYS 49 -7.133 3.582 18.741 339 1HE LYS 49 1HE LYS 49 -9.686 3.788 18.496 340 2HE LYS 49 2HE LYS 49 -9.545 2.629 17.156 341 1HZ LYS 49 1HZ LYS 49 -8.297 1.258 19.031 342 2HZ LYS 49 2HZ LYS 49 -9.207 2.187 20.035 343 3HZ LYS 49 3HZ LYS 49 -9.943 1.239 18.931 344 H LEU 50 H LEU 50 -8.327 7.791 17.634 345 HA LEU 50 HA LEU 50 -10.631 7.627 15.952 346 1HB LEU 50 1HB LEU 50 -9.976 9.252 18.445 347 2HB LEU 50 2HB LEU 50 -11.552 9.331 17.670 348 HG LEU 50 HG LEU 50 -10.344 6.731 18.714 349 1HD1 LEU 50 1HD1 LEU 50 -12.437 8.566 19.938 350 2HD1 LEU 50 2HD1 LEU 50 -11.924 6.980 20.569 351 3HD1 LEU 50 3HD1 LEU 50 -10.778 8.333 20.544 352 1HD2 LEU 50 1HD2 LEU 50 -12.683 5.925 18.595 353 2HD2 LEU 50 2HD2 LEU 50 -13.156 7.444 17.789 354 3HD2 LEU 50 3HD2 LEU 50 -12.024 6.316 17.015 355 H ALA 51 H ALA 51 -8.430 10.427 16.550 356 HA ALA 51 HA ALA 51 -9.939 12.191 14.848 357 1HB ALA 51 1HB ALA 51 -8.350 12.973 16.585 358 2HB ALA 51 2HB ALA 51 -6.995 12.254 15.684 359 3HB ALA 51 3HB ALA 51 -7.910 13.611 14.988 360 H HIS 52 H HIS 52 -7.120 10.062 14.160 361 HA HIS 52 HA HIS 52 -6.764 10.933 11.462 362 1HB HIS 52 1HB HIS 52 -5.107 9.687 12.847 363 2HB HIS 52 2HB HIS 52 -6.097 8.232 12.703 364 HD1 HIS 52 HD1 HIS 52 -3.478 10.201 10.857 365 HD2 HIS 52 HD2 HIS 52 -6.385 7.265 10.042 366 HE1 HIS 52 HE1 HIS 52 -2.930 9.260 8.546 367 H TYR 53 H TYR 53 -8.551 8.028 12.727 368 HA TYR 53 HA TYR 53 -9.375 7.243 10.082 369 1HB TYR 53 1HB TYR 53 -10.330 6.422 12.831 370 2HB TYR 53 2HB TYR 53 -10.922 5.694 11.339 371 HD1 TYR 53 HD1 TYR 53 -8.891 5.034 9.630 372 HD2 TYR 53 HD2 TYR 53 -8.676 5.094 13.916 373 HE1 TYR 53 HE1 TYR 53 -6.944 3.473 9.553 374 HE2 TYR 53 HE2 TYR 53 -6.750 3.528 13.850 375 HH TYR 53 HH TYR 53 -5.379 2.304 12.559 376 H GLN 54 H GLN 54 -10.893 9.511 12.356 377 HA GLN 54 HA GLN 54 -13.412 9.561 10.804 378 1HB GLN 54 1HB GLN 54 -12.354 11.281 13.080 379 2HB GLN 54 2HB GLN 54 -13.928 11.508 12.316 380 1HG GLN 54 1HG GLN 54 -14.667 9.279 12.998 381 2HG GLN 54 2HG GLN 54 -13.094 8.934 13.706 382 1HE2 GLN 54 1HE2 GLN 54 -12.386 10.461 15.472 383 2HE2 GLN 54 2HE2 GLN 54 -13.643 11.075 16.562 384 H SER 55 H SER 55 -10.300 11.048 10.474 385 HA SER 55 HA SER 55 -11.029 13.597 9.451 386 1HB SER 55 1HB SER 55 -8.765 13.054 10.200 387 2HB SER 55 2HB SER 55 -8.568 11.917 8.847 388 HG SER 55 HG SER 55 -7.737 14.148 8.563 389 H ARG 56 H ARG 56 -11.472 14.404 7.496 390 HA ARG 56 HA ARG 56 -12.477 12.753 5.358 391 1HB ARG 56 1HB ARG 56 -13.238 15.074 5.856 392 2HB ARG 56 2HB ARG 56 -11.663 15.693 5.351 393 1HG ARG 56 1HG ARG 56 -13.223 16.037 3.558 394 2HG ARG 56 2HG ARG 56 -12.102 14.777 3.053 395 1HD ARG 56 1HD ARG 56 -14.289 14.069 2.385 396 2HD ARG 56 2HD ARG 56 -13.805 13.062 3.738 397 HE ARG 56 HE ARG 56 -15.434 14.038 5.112 398 1HH1 ARG 56 1HH1 ARG 56 -15.444 15.747 2.049 399 2HH1 ARG 56 2HH1 ARG 56 -16.966 16.523 2.391 400 1HH2 ARG 56 1HH2 ARG 56 -17.364 15.067 5.477 401 2HH2 ARG 56 2HH2 ARG 56 -18.014 16.145 4.279 402 H LYS 57 H LYS 57 -9.288 14.123 5.998 403 HA LYS 57 HA LYS 57 -8.130 13.706 3.396 404 1HB LYS 57 1HB LYS 57 -7.138 15.136 5.173 405 2HB LYS 57 2HB LYS 57 -6.851 13.713 6.170 406 1HG LYS 57 1HG LYS 57 -4.794 14.412 5.140 407 2HG LYS 57 2HG LYS 57 -5.248 12.836 4.496 408 1HD LYS 57 1HD LYS 57 -6.054 13.890 2.409 409 2HD LYS 57 2HD LYS 57 -5.732 15.504 3.089 410 1HE LYS 57 1HE LYS 57 -3.318 14.894 3.312 411 2HE LYS 57 2HE LYS 57 -3.656 13.321 2.579 412 1HZ LYS 57 1HZ LYS 57 -2.831 14.915 0.938 413 2HZ LYS 57 2HZ LYS 57 -4.360 14.496 0.556 414 3HZ LYS 57 3HZ LYS 57 -4.054 15.949 1.241 415 H HIS 58 H HIS 58 -8.299 11.595 6.276 416 HA HIS 58 HA HIS 58 -6.894 9.337 5.134 417 1HB HIS 58 1HB HIS 58 -7.152 9.462 7.517 418 2HB HIS 58 2HB HIS 58 -8.900 9.648 7.397 419 HD2 HIS 58 HD2 HIS 58 -10.401 7.478 6.974 420 HE1 HIS 58 HE1 HIS 58 -7.290 4.579 7.259 421 HE2 HIS 58 HE2 HIS 58 -9.810 4.913 7.114 422 H ALA 59 H ALA 59 -10.418 10.072 5.419 423 HA ALA 59 HA ALA 59 -11.323 7.743 4.090 424 1HB ALA 59 1HB ALA 59 -12.603 10.505 4.199 425 2HB ALA 59 2HB ALA 59 -13.424 8.954 3.888 426 3HB ALA 59 3HB ALA 59 -12.694 9.268 5.474 427 H ASN 60 H ASN 60 -10.489 10.951 2.690 428 HA ASN 60 HA ASN 60 -11.167 10.320 -0.020 429 1HB ASN 60 1HB ASN 60 -10.836 12.617 0.836 430 2HB ASN 60 2HB ASN 60 -9.129 12.286 1.132 431 1HD2 ASN 60 1HD2 ASN 60 -7.753 12.903 -0.525 432 2HD2 ASN 60 2HD2 ASN 60 -8.272 13.128 -2.186 433 H LYS 61 H LYS 61 -7.989 10.041 1.748 434 HA LYS 61 HA LYS 61 -6.571 8.998 -0.484 435 1HB LYS 61 1HB LYS 61 -5.666 9.952 1.765 436 2HB LYS 61 2HB LYS 61 -5.904 8.310 2.408 437 1HG LYS 61 1HG LYS 61 -4.536 7.437 0.490 438 2HG LYS 61 2HG LYS 61 -4.331 9.103 -0.077 439 1HD LYS 61 1HD LYS 61 -3.085 9.647 2.017 440 2HD LYS 61 2HD LYS 61 -3.280 7.953 2.541 441 1HE LYS 61 1HE LYS 61 -2.173 7.213 0.421 442 2HE LYS 61 2HE LYS 61 -1.900 8.912 -0.014 443 1HZ LYS 61 1HZ LYS 61 -0.717 7.381 2.212 444 2HZ LYS 61 2HZ LYS 61 0.075 8.050 0.959 445 3HZ LYS 61 3HZ LYS 61 -0.557 9.032 2.102 446 H VAL 62 H VAL 62 -8.460 7.311 2.052 447 HA VAL 62 HA VAL 62 -7.850 4.643 1.151 448 HB VAL 62 HB VAL 62 -10.172 5.770 2.742 449 1HG1 VAL 62 1HG1 VAL 62 -9.543 2.843 2.133 450 2HG1 VAL 62 2HG1 VAL 62 -10.679 3.413 3.377 451 3HG1 VAL 62 3HG1 VAL 62 -11.021 3.723 1.677 452 1HG2 VAL 62 1HG2 VAL 62 -7.873 5.744 3.791 453 2HG2 VAL 62 2HG2 VAL 62 -9.023 4.680 4.600 454 3HG2 VAL 62 3HG2 VAL 62 -7.798 4.004 3.503 455 H ARG 63 H ARG 63 -10.550 6.866 0.213 456 HA ARG 63 HA ARG 63 -11.808 5.054 -1.642 457 1HB ARG 63 1HB ARG 63 -12.816 7.105 -0.734 458 2HB ARG 63 2HB ARG 63 -11.746 8.072 -1.768 459 1HG ARG 63 1HG ARG 63 -12.689 7.062 -3.774 460 2HG ARG 63 2HG ARG 63 -13.637 5.900 -2.835 461 1HD ARG 63 1HD ARG 63 -13.974 8.852 -2.377 462 2HD ARG 63 2HD ARG 63 -14.705 8.087 -3.808 463 HE ARG 63 HE ARG 63 -15.431 6.573 -1.509 464 1HH1 ARG 63 1HH1 ARG 63 -16.230 9.712 -2.891 465 2HH1 ARG 63 2HH1 ARG 63 -17.862 9.645 -2.262 466 1HH2 ARG 63 1HH2 ARG 63 -17.572 6.587 -0.813 467 2HH2 ARG 63 2HH2 ARG 63 -18.563 7.996 -1.147 468 H ARG 64 H ARG 64 -9.164 7.408 -2.142 469 HA ARG 64 HA ARG 64 -8.778 6.874 -4.956 470 1HB ARG 64 1HB ARG 64 -7.994 8.917 -3.842 471 2HB ARG 64 2HB ARG 64 -6.910 7.987 -2.819 472 1HG ARG 64 1HG ARG 64 -5.681 9.114 -4.545 473 2HG ARG 64 2HG ARG 64 -5.517 7.382 -4.763 474 1HD ARG 64 1HD ARG 64 -7.574 9.005 -6.319 475 2HD ARG 64 2HD ARG 64 -5.877 8.923 -6.819 476 HE ARG 64 HE ARG 64 -6.846 6.261 -6.414 477 1HH1 ARG 64 1HH1 ARG 64 -7.197 8.858 -8.747 478 2HH1 ARG 64 2HH1 ARG 64 -7.488 7.754 -10.062 479 1HH2 ARG 64 1HH2 ARG 64 -7.187 4.927 -8.124 480 2HH2 ARG 64 2HH2 ARG 64 -7.490 5.578 -9.710 481 H TYR 65 H TYR 65 -7.185 5.521 -2.058 482 HA TYR 65 HA TYR 65 -5.334 3.796 -3.374 483 1HB TYR 65 1HB TYR 65 -5.139 4.490 -1.052 484 2HB TYR 65 2HB TYR 65 -6.654 3.710 -0.637 485 HD1 TYR 65 HD1 TYR 65 -6.775 1.379 -0.120 486 HD2 TYR 65 HD2 TYR 65 -3.118 3.097 -1.629 487 HE1 TYR 65 HE1 TYR 65 -5.537 -0.699 0.506 488 HE2 TYR 65 HE2 TYR 65 -1.884 1.028 -0.997 489 HH TYR 65 HH TYR 65 -2.019 -1.063 -0.073 490 H MET 66 H MET 66 -8.677 3.153 -2.177 491 HA MET 66 HA MET 66 -8.750 0.390 -2.930 492 1HB MET 66 1HB MET 66 -10.889 2.517 -2.465 493 2HB MET 66 2HB MET 66 -11.315 0.867 -2.944 494 1HG MET 66 1HG MET 66 -9.578 1.505 -0.539 495 2HG MET 66 2HG MET 66 -11.324 1.291 -0.451 496 1HE MET 66 1HE MET 66 -8.168 -0.364 0.319 497 2HE MET 66 2HE MET 66 -9.561 -0.316 1.429 498 3HE MET 66 3HE MET 66 -8.915 -1.879 0.870 499 H ALA 67 H ALA 67 -9.401 3.330 -4.831 500 HA ALA 67 HA ALA 67 -10.436 1.951 -7.131 501 1HB ALA 67 1HB ALA 67 -9.206 4.722 -6.830 502 2HB ALA 67 2HB ALA 67 -10.135 4.143 -8.230 503 3HB ALA 67 3HB ALA 67 -10.918 4.301 -6.647 504 H ILE 68 H ILE 68 -7.190 2.031 -5.945 505 HA ILE 68 HA ILE 68 -5.823 1.886 -8.522 506 HB ILE 68 HB ILE 68 -4.896 0.990 -5.767 507 1HG1 ILE 68 1HG1 ILE 68 -5.396 3.384 -5.738 508 2HG1 ILE 68 2HG1 ILE 68 -3.684 3.085 -5.581 509 1HG2 ILE 68 1HG2 ILE 68 -2.588 1.301 -6.712 510 2HG2 ILE 68 2HG2 ILE 68 -3.476 -0.068 -7.373 511 3HG2 ILE 68 3HG2 ILE 68 -3.321 1.422 -8.328 512 1HD1 ILE 68 1HD1 ILE 68 -3.311 3.765 -7.922 513 2HD1 ILE 68 2HD1 ILE 68 -5.059 3.985 -8.154 514 3HD1 ILE 68 3HD1 ILE 68 -4.172 5.025 -7.026 515 H ASN 69 H ASN 69 -7.472 -0.465 -6.450 516 HA ASN 69 HA ASN 69 -6.303 -2.872 -7.352 517 1HB ASN 69 1HB ASN 69 -9.166 -2.252 -6.512 518 2HB ASN 69 2HB ASN 69 -8.552 -3.878 -6.784 519 1HD2 ASN 69 1HD2 ASN 69 -8.840 -1.381 -4.482 520 2HD2 ASN 69 2HD2 ASN 69 -7.806 -2.123 -3.254 521 H GLN 70 H GLN 70 -6.114 -3.768 -9.286 522 HA GLN 70 HA GLN 70 -7.499 -2.765 -11.626 523 1HB GLN 70 1HB GLN 70 -5.712 -5.222 -11.364 524 2HB GLN 70 2HB GLN 70 -6.208 -4.419 -12.849 525 1HG GLN 70 1HG GLN 70 -4.155 -3.472 -12.657 526 2HG GLN 70 2HG GLN 70 -5.060 -2.279 -11.738 527 1HE2 GLN 70 1HE2 GLN 70 -4.369 -1.932 -9.542 528 2HE2 GLN 70 2HE2 GLN 70 -3.167 -2.971 -8.780 529 H GLY 71 H GLY 71 -8.643 -4.136 -13.199 530 1HA GLY 71 1HA GLY 71 -9.817 -6.654 -12.612 531 2HA GLY 71 2HA GLY 71 -10.959 -5.392 -12.146 532 H GLU 72 H GLU 72 -11.891 -6.997 -13.943 533 HA GLU 72 HA GLU 72 -11.966 -5.454 -16.487 534 1HB GLU 72 1HB GLU 72 -11.730 -7.457 -17.834 535 2HB GLU 72 2HB GLU 72 -10.316 -7.229 -16.816 536 1HG GLU 72 1HG GLU 72 -11.160 -8.956 -15.232 537 2HG GLU 72 2HG GLU 72 -12.590 -9.184 -16.238 538 H ASP 73 H ASP 73 -13.784 -6.142 -14.053 539 HA ASP 73 HA ASP 73 -16.271 -6.553 -15.623 540 1HB ASP 73 1HB ASP 73 -15.465 -8.748 -14.688 541 2HB ASP 73 2HB ASP 73 -15.599 -8.067 -13.067 542 H SER 74 H SER 74 -15.101 -4.163 -14.614 543 HA SER 74 HA SER 74 -15.986 -3.194 -12.155 544 1HB SER 74 1HB SER 74 -15.704 -1.656 -14.765 545 2HB SER 74 2HB SER 74 -15.682 -0.965 -13.130 546 HG SER 74 HG SER 74 -13.561 -1.324 -13.971 547 H VAL 75 H VAL 75 -17.680 -1.895 -11.452 548 HA VAL 75 HA VAL 75 -20.290 -2.566 -12.485 549 HB VAL 75 HB VAL 75 -19.710 -2.361 -10.095 550 1HG1 VAL 75 1HG1 VAL 75 -18.336 -0.277 -10.165 551 2HG1 VAL 75 2HG1 VAL 75 -19.821 0.661 -10.436 552 3HG1 VAL 75 3HG1 VAL 75 -19.607 -0.256 -8.936 553 1HG2 VAL 75 1HG2 VAL 75 -22.048 -2.338 -10.762 554 2HG2 VAL 75 2HG2 VAL 75 -21.777 -1.323 -9.344 555 3HG2 VAL 75 3HG2 VAL 75 -22.014 -0.565 -10.926 556 HA PRO 76 HA PRO 76 -20.621 0.939 -15.263 557 1HB PRO 76 1HB PRO 76 -23.270 0.877 -15.928 558 2HB PRO 76 2HB PRO 76 -22.105 -0.377 -16.447 559 1HG PRO 76 1HG PRO 76 -23.980 -0.461 -14.060 560 2HG PRO 76 2HG PRO 76 -23.764 -1.702 -15.338 561 1HD PRO 76 1HD PRO 76 -22.484 -1.876 -12.954 562 2HD PRO 76 2HD PRO 76 -21.673 -2.367 -14.468 563 H ALA 77 H ALA 77 -21.978 0.965 -12.142 564 HA ALA 77 HA ALA 77 -23.513 3.367 -12.162 565 1HB ALA 77 1HB ALA 77 -23.361 3.147 -9.717 566 2HB ALA 77 2HB ALA 77 -23.687 1.576 -10.466 567 3HB ALA 77 3HB ALA 77 -22.048 1.963 -9.883 568 H LYS 78 H LYS 78 -20.104 3.072 -12.438 569 HA LYS 78 HA LYS 78 -19.208 5.365 -10.955 570 1HB LYS 78 1HB LYS 78 -18.025 4.023 -13.430 571 2HB LYS 78 2HB LYS 78 -17.178 5.185 -12.416 572 1HG LYS 78 1HG LYS 78 -18.138 2.433 -11.524 573 2HG LYS 78 2HG LYS 78 -16.492 2.886 -11.954 574 1HD LYS 78 1HD LYS 78 -16.479 4.529 -10.037 575 2HD LYS 78 2HD LYS 78 -18.101 3.978 -9.604 576 1HE LYS 78 1HE LYS 78 -16.615 2.840 -8.159 577 2HE LYS 78 2HE LYS 78 -17.225 1.654 -9.313 578 1HZ LYS 78 1HZ LYS 78 -15.112 1.875 -10.534 579 2HZ LYS 78 2HZ LYS 78 -14.571 2.996 -9.473 580 3HZ LYS 78 3HZ LYS 78 -14.817 1.461 -8.984 581 H LYS 79 H LYS 79 -18.405 7.364 -11.725 582 HA LYS 79 HA LYS 79 -20.304 8.905 -13.200 583 1HB LYS 79 1HB LYS 79 -17.437 9.535 -12.358 584 2HB LYS 79 2HB LYS 79 -18.559 10.719 -13.041 585 1HG LYS 79 1HG LYS 79 -20.147 10.311 -11.173 586 2HG LYS 79 2HG LYS 79 -18.984 9.189 -10.439 587 1HD LYS 79 1HD LYS 79 -17.313 11.017 -10.279 588 2HD LYS 79 2HD LYS 79 -18.473 12.144 -11.021 589 1HE LYS 79 1HE LYS 79 -20.057 11.741 -9.152 590 2HE LYS 79 2HE LYS 79 -18.910 10.619 -8.411 591 1HZ LYS 79 1HZ LYS 79 -17.353 12.472 -8.163 592 2HZ LYS 79 2HZ LYS 79 -18.408 13.513 -8.864 593 3HZ LYS 79 3HZ LYS 79 -18.774 12.824 -7.428 594 H PHE 80 H PHE 80 -20.060 10.164 -15.055 595 HA PHE 80 HA PHE 80 -19.078 8.782 -17.398 596 1HB PHE 80 1HB PHE 80 -19.990 10.731 -18.584 597 2HB PHE 80 2HB PHE 80 -21.132 10.086 -17.423 598 HD1 PHE 80 HD1 PHE 80 -18.809 12.914 -18.136 599 HD2 PHE 80 HD2 PHE 80 -21.907 11.415 -15.530 600 HE1 PHE 80 HE1 PHE 80 -18.998 15.147 -17.069 601 HE2 PHE 80 HE2 PHE 80 -22.086 13.649 -14.466 602 HZ PHE 80 HZ PHE 80 -20.629 15.516 -15.227 603 H LYS 81 H LYS 81 -17.608 11.090 -15.279 604 HA LYS 81 HA LYS 81 -15.876 12.525 -16.991 605 1HB LYS 81 1HB LYS 81 -15.511 11.697 -14.077 606 2HB LYS 81 2HB LYS 81 -14.529 12.901 -14.921 607 1HG LYS 81 1HG LYS 81 -16.549 14.298 -15.315 608 2HG LYS 81 2HG LYS 81 -17.551 13.092 -14.508 609 1HD LYS 81 1HD LYS 81 -17.143 14.867 -12.944 610 2HD LYS 81 2HD LYS 81 -16.310 13.416 -12.402 611 1HE LYS 81 1HE LYS 81 -14.854 15.263 -12.003 612 2HE LYS 81 2HE LYS 81 -14.158 14.329 -13.324 613 1HZ LYS 81 1HZ LYS 81 -15.742 16.831 -13.638 614 2HZ LYS 81 2HZ LYS 81 -14.123 16.724 -13.776 615 3HZ LYS 81 3HZ LYS 81 -15.078 15.993 -14.875 616 H ALA 82 H ALA 82 -13.970 12.180 -17.908 617 HA ALA 82 HA ALA 82 -12.329 9.786 -17.308 618 1HB ALA 82 1HB ALA 82 -14.014 9.096 -19.004 619 2HB ALA 82 2HB ALA 82 -13.471 10.411 -20.072 620 3HB ALA 82 3HB ALA 82 -12.373 9.073 -19.665 621 H ALA 83 H ALA 83 -11.919 12.713 -16.937 622 HA ALA 83 HA ALA 83 -10.232 13.836 -18.882 623 1HB ALA 83 1HB ALA 83 -9.553 15.368 -17.058 624 2HB ALA 83 2HB ALA 83 -11.305 15.098 -17.070 625 3HB ALA 83 3HB ALA 83 -10.285 14.274 -15.866 626 HA PRO 84 HA PRO 84 -6.348 11.714 -18.782 627 1HB PRO 84 1HB PRO 84 -5.063 14.442 -18.571 628 2HB PRO 84 2HB PRO 84 -4.651 13.081 -19.660 629 1HG PRO 84 1HG PRO 84 -6.110 15.168 -20.580 630 2HG PRO 84 2HG PRO 84 -6.576 13.491 -21.014 631 1HD PRO 84 1HD PRO 84 -7.772 15.284 -18.892 632 2HD PRO 84 2HD PRO 84 -8.584 14.220 -20.081 633 H ALA 85 H ALA 85 -5.145 10.727 -17.300 634 HA ALA 85 HA ALA 85 -4.194 12.048 -14.832 635 1HB ALA 85 1HB ALA 85 -6.476 11.200 -14.309 636 2HB ALA 85 2HB ALA 85 -5.982 9.569 -14.816 637 3HB ALA 85 3HB ALA 85 -5.233 10.332 -13.395 638 H GLU 86 H GLU 86 -3.203 10.507 -17.407 639 HA GLU 86 HA GLU 86 -0.920 9.175 -16.161 640 1HB GLU 86 1HB GLU 86 -1.262 7.029 -17.235 641 2HB GLU 86 2HB GLU 86 -2.628 7.381 -16.190 642 1HG GLU 86 1HG GLU 86 -3.944 8.118 -18.208 643 2HG GLU 86 2HG GLU 86 -2.576 7.657 -19.227 644 H ILE 87 H ILE 87 0.400 8.112 -18.136 645 HA ILE 87 HA ILE 87 0.986 10.300 -19.969 646 HB ILE 87 HB ILE 87 2.376 7.598 -19.967 647 1HG1 ILE 87 1HG1 ILE 87 4.145 9.016 -18.584 648 2HG1 ILE 87 2HG1 ILE 87 2.738 9.915 -18.037 649 1HG2 ILE 87 1HG2 ILE 87 3.289 10.426 -20.703 650 2HG2 ILE 87 2HG2 ILE 87 4.236 8.932 -20.873 651 3HG2 ILE 87 3HG2 ILE 87 2.810 9.177 -21.871 652 1HD1 ILE 87 1HD1 ILE 87 1.810 7.800 -17.066 653 2HD1 ILE 87 2HD1 ILE 87 3.175 6.895 -17.760 654 3HD1 ILE 87 3HD1 ILE 87 3.452 8.100 -16.490 655 H SER 88 H SER 88 -1.383 9.941 -20.701 656 HA SER 88 HA SER 88 -2.204 7.866 -22.402 657 1HB SER 88 1HB SER 88 -3.012 10.794 -22.525 658 2HB SER 88 2HB SER 88 -3.922 9.421 -23.186 659 HG SER 88 HG SER 88 -4.718 10.016 -21.140 660 H ASP 89 H ASP 89 0.078 10.363 -23.198 661 HA ASP 89 HA ASP 89 -0.312 10.550 -26.023 662 1HB ASP 89 1HB ASP 89 0.952 12.155 -24.610 663 2HB ASP 89 2HB ASP 89 2.200 10.936 -24.347 664 H GLY 90 H GLY 90 1.426 8.138 -24.072 665 1HA GLY 90 1HA GLY 90 1.407 6.015 -25.747 666 2HA GLY 90 2HA GLY 90 2.786 6.911 -26.380 667 H GLU 91 H GLU 91 3.246 4.446 -25.566 668 HA GLU 91 HA GLU 91 3.934 3.950 -22.870 669 1HB GLU 91 1HB GLU 91 5.330 2.805 -25.326 670 2HB GLU 91 2HB GLU 91 5.273 2.134 -23.702 671 1HG GLU 91 1HG GLU 91 3.674 0.834 -24.607 672 2HG GLU 91 2HG GLU 91 2.633 2.163 -24.117 673 H ASP 92 H ASP 92 5.894 3.950 -21.724 674 HA ASP 92 HA ASP 92 8.221 5.430 -22.830 675 1HB ASP 92 1HB ASP 92 8.339 6.938 -21.003 676 2HB ASP 92 2HB ASP 92 6.751 7.089 -21.737 677 H ARG 93 H ARG 93 7.086 3.773 -19.861 678 HA ARG 93 HA ARG 93 9.439 1.982 -19.802 679 1HB ARG 93 1HB ARG 93 10.137 4.053 -18.615 680 2HB ARG 93 2HB ARG 93 8.699 3.967 -17.585 681 1HG ARG 93 1HG ARG 93 9.473 1.809 -16.679 682 2HG ARG 93 2HG ARG 93 10.861 1.853 -17.782 683 1HD ARG 93 1HD ARG 93 11.620 2.497 -15.595 684 2HD ARG 93 2HD ARG 93 11.671 3.920 -16.651 685 HE ARG 93 HE ARG 93 9.154 3.849 -15.281 686 1HH1 ARG 93 1HH1 ARG 93 12.515 4.465 -14.511 687 2HH1 ARG 93 2HH1 ARG 93 12.114 5.489 -13.160 688 1HH2 ARG 93 1HH2 ARG 93 8.710 5.175 -13.553 689 2HH2 ARG 93 2HH2 ARG 93 10.012 5.873 -12.636 690 H SER 94 H SER 94 6.407 3.035 -18.180 691 HA SER 94 HA SER 94 5.946 0.665 -16.692 692 1HB SER 94 1HB SER 94 3.934 2.693 -17.732 693 2HB SER 94 2HB SER 94 3.693 1.571 -16.382 694 HG SER 94 HG SER 94 5.329 2.636 -15.236 695 H LYS 95 H LYS 95 5.818 0.852 -20.025 696 HA LYS 95 HA LYS 95 4.055 -1.565 -20.275 697 1HB LYS 95 1HB LYS 95 4.035 0.993 -21.921 698 2HB LYS 95 2HB LYS 95 3.305 -0.497 -22.482 699 1HG LYS 95 1HG LYS 95 2.467 0.943 -19.923 700 2HG LYS 95 2HG LYS 95 1.721 1.164 -21.503 701 1HD LYS 95 1HD LYS 95 1.150 -1.268 -21.571 702 2HD LYS 95 2HD LYS 95 1.775 -1.442 -19.915 703 1HE LYS 95 1HE LYS 95 0.130 0.095 -19.040 704 2HE LYS 95 2HE LYS 95 -0.355 0.600 -20.662 705 1HZ LYS 95 1HZ LYS 95 -1.247 -1.620 -21.047 706 2HZ LYS 95 2HZ LYS 95 -0.810 -2.130 -19.557 707 3HZ LYS 95 3HZ LYS 95 -1.945 -0.970 -19.726 708 H CYS 96 H CYS 96 7.081 -0.110 -21.138 709 HA CYS 96 HA CYS 96 7.741 -2.454 -22.786 710 1HB CYS 96 1HB CYS 96 8.484 -1.113 -24.697 711 2HB CYS 96 2HB CYS 96 6.764 -0.849 -24.388 712 HG CYS 96 HG CYS 96 7.901 1.409 -25.129 713 H CYS 97 H CYS 97 9.934 -2.641 -23.413 714 HA CYS 97 HA CYS 97 11.980 -1.099 -21.932 715 1HB CYS 97 1HB CYS 97 11.411 -2.894 -20.399 716 2HB CYS 97 2HB CYS 97 11.581 -4.094 -21.685 717 HA PRO 98 HA PRO 98 13.269 -2.064 -26.249 718 1HB PRO 98 1HB PRO 98 14.855 0.132 -26.698 719 2HB PRO 98 2HB PRO 98 13.070 0.168 -26.800 720 1HG PRO 98 1HG PRO 98 14.814 0.990 -24.461 721 2HG PRO 98 2HG PRO 98 13.447 1.888 -25.192 722 1HD PRO 98 1HD PRO 98 13.156 0.360 -22.957 723 2HD PRO 98 2HD PRO 98 11.855 0.471 -24.180 724 H VAL 99 H VAL 99 15.250 -1.397 -23.402 725 HA VAL 99 HA VAL 99 17.822 -2.221 -24.348 726 HB VAL 99 HB VAL 99 16.612 -2.491 -21.565 727 1HG1 VAL 99 1HG1 VAL 99 19.535 -2.476 -22.437 728 2HG1 VAL 99 2HG1 VAL 99 18.964 -2.365 -20.758 729 3HG1 VAL 99 3HG1 VAL 99 18.653 -3.829 -21.676 730 1HG2 VAL 99 1HG2 VAL 99 18.276 -0.248 -22.790 731 2HG2 VAL 99 2HG2 VAL 99 16.567 -0.143 -22.313 732 3HG2 VAL 99 3HG2 VAL 99 17.810 -0.365 -21.081 733 H CYS 100 H CYS 100 14.995 -4.050 -23.444 734 HA CYS 100 HA CYS 100 16.380 -6.661 -23.907 735 1HB CYS 100 1HB CYS 100 14.036 -5.932 -22.116 736 2HB CYS 100 2HB CYS 100 14.673 -7.535 -22.394 737 H ASN 101 H ASN 101 14.356 -4.603 -25.304 738 HA ASN 101 HA ASN 101 12.625 -4.523 -26.711 739 1HB ASN 101 1HB ASN 101 12.873 -5.857 -28.766 740 2HB ASN 101 2HB ASN 101 14.348 -5.073 -28.237 741 1HD2 ASN 101 1HD2 ASN 101 16.156 -6.349 -27.668 742 2HD2 ASN 101 2HD2 ASN 101 16.163 -8.088 -27.931 743 H MET 102 H MET 102 11.516 -5.182 -24.638 744 HA MET 102 HA MET 102 9.397 -7.180 -25.345 745 1HB MET 102 1HB MET 102 10.913 -6.959 -22.716 746 2HB MET 102 2HB MET 102 9.334 -7.734 -22.840 747 1HG MET 102 1HG MET 102 10.247 -9.239 -24.621 748 2HG MET 102 2HG MET 102 11.854 -8.612 -24.268 749 1HE MET 102 1HE MET 102 11.963 -8.308 -21.125 750 2HE MET 102 2HE MET 102 12.517 -9.921 -20.628 751 3HE MET 102 3HE MET 102 13.222 -9.151 -22.064 752 H THR 103 H THR 103 7.468 -6.983 -23.963 753 HA THR 103 HA THR 103 6.805 -4.221 -23.099 754 HB THR 103 HB THR 103 4.551 -4.502 -24.111 755 HG1 THR 103 HG1 THR 103 4.334 -6.067 -25.732 756 1HG2 THR 103 1HG2 THR 103 5.182 -3.943 -26.392 757 2HG2 THR 103 2HG2 THR 103 6.313 -3.178 -25.264 758 3HG2 THR 103 3HG2 THR 103 6.804 -4.632 -26.161 759 H PHE 104 H PHE 104 4.909 -4.080 -21.738 760 HA PHE 104 HA PHE 104 4.433 -6.522 -20.074 761 1HB PHE 104 1HB PHE 104 4.787 -3.751 -18.915 762 2HB PHE 104 2HB PHE 104 4.796 -5.292 -18.086 763 HD1 PHE 104 HD1 PHE 104 6.754 -6.975 -18.802 764 HD2 PHE 104 HD2 PHE 104 6.836 -2.707 -19.418 765 HE1 PHE 104 HE1 PHE 104 9.229 -7.045 -19.006 766 HE2 PHE 104 HE2 PHE 104 9.302 -2.776 -19.581 767 HZ PHE 104 HZ PHE 104 10.504 -4.952 -19.409 768 H SER 105 H SER 105 2.404 -6.732 -19.139 769 HA SER 105 HA SER 105 0.211 -5.408 -20.466 770 1HB SER 105 1HB SER 105 -1.171 -6.804 -18.924 771 2HB SER 105 2HB SER 105 0.026 -7.717 -19.858 772 HG SER 105 HG SER 105 0.005 -8.322 -17.637 773 H SER 106 H SER 106 1.677 -4.999 -17.246 774 HA SER 106 HA SER 106 0.080 -2.529 -16.819 775 1HB SER 106 1HB SER 106 0.220 -4.903 -14.916 776 2HB SER 106 2HB SER 106 -0.262 -3.284 -14.399 777 HG SER 106 HG SER 106 -1.536 -4.841 -16.414 778 HA PRO 107 HA PRO 107 3.767 -0.653 -15.334 779 1HB PRO 107 1HB PRO 107 2.247 0.109 -12.836 780 2HB PRO 107 2HB PRO 107 3.291 1.127 -13.874 781 1HG PRO 107 1HG PRO 107 0.591 1.255 -14.090 782 2HG PRO 107 2HG PRO 107 1.604 1.248 -15.567 783 1HD PRO 107 1HD PRO 107 0.064 -1.028 -14.331 784 2HD PRO 107 2HD PRO 107 0.251 -0.575 -16.051 785 H VAL 108 H VAL 108 2.127 -2.536 -12.724 786 HA VAL 108 HA VAL 108 4.464 -2.859 -11.109 787 HB VAL 108 HB VAL 108 2.129 -4.801 -11.230 788 1HG1 VAL 108 1HG1 VAL 108 4.024 -5.598 -9.872 789 2HG1 VAL 108 2HG1 VAL 108 4.115 -4.031 -9.039 790 3HG1 VAL 108 3HG1 VAL 108 2.709 -5.099 -8.807 791 1HG2 VAL 108 1HG2 VAL 108 2.401 -2.201 -9.652 792 2HG2 VAL 108 2HG2 VAL 108 1.189 -2.551 -10.906 793 3HG2 VAL 108 3HG2 VAL 108 1.148 -3.433 -9.384 794 H VAL 109 H VAL 109 3.317 -4.715 -13.907 795 HA VAL 109 HA VAL 109 5.195 -6.917 -13.619 796 HB VAL 109 HB VAL 109 3.790 -5.914 -16.132 797 1HG1 VAL 109 1HG1 VAL 109 4.124 -8.223 -16.948 798 2HG1 VAL 109 2HG1 VAL 109 5.671 -7.430 -16.645 799 3HG1 VAL 109 3HG1 VAL 109 5.046 -8.615 -15.480 800 1HG2 VAL 109 1HG2 VAL 109 2.166 -7.744 -15.677 801 2HG2 VAL 109 2HG2 VAL 109 2.955 -8.045 -14.115 802 3HG2 VAL 109 3HG2 VAL 109 2.120 -6.507 -14.422 803 H ALA 110 H ALA 110 5.229 -3.765 -15.312 804 HA ALA 110 HA ALA 110 7.798 -4.084 -16.559 805 1HB ALA 110 1HB ALA 110 7.686 -1.695 -16.905 806 2HB ALA 110 2HB ALA 110 6.056 -2.355 -17.154 807 3HB ALA 110 3HB ALA 110 6.451 -1.498 -15.653 808 H GLU 111 H GLU 111 6.833 -2.565 -13.416 809 HA GLU 111 HA GLU 111 9.466 -1.868 -12.550 810 1HB GLU 111 1HB GLU 111 6.987 -2.635 -10.944 811 2HB GLU 111 2HB GLU 111 8.490 -2.046 -10.230 812 1HG GLU 111 1HG GLU 111 8.298 0.042 -11.592 813 2HG GLU 111 2HG GLU 111 6.723 -0.507 -12.164 814 H SER 112 H SER 112 7.636 -4.924 -12.111 815 HA SER 112 HA SER 112 9.548 -6.288 -10.497 816 1HB SER 112 1HB SER 112 7.602 -7.446 -12.533 817 2HB SER 112 2HB SER 112 8.471 -8.358 -11.290 818 HG SER 112 HG SER 112 6.520 -6.317 -10.919 819 H HIS 113 H HIS 113 9.398 -5.894 -14.054 820 HA HIS 113 HA HIS 113 11.608 -7.724 -14.582 821 1HB HIS 113 1HB HIS 113 10.000 -7.278 -16.328 822 2HB HIS 113 2HB HIS 113 10.262 -5.540 -16.222 823 HD1 HIS 113 HD1 HIS 113 12.009 -8.685 -17.579 824 HD2 HIS 113 HD2 HIS 113 12.417 -4.498 -17.425 825 HE1 HIS 113 HE1 HIS 113 13.913 -8.080 -19.177 826 H TYR 114 H TYR 114 11.344 -4.111 -14.426 827 HA TYR 114 HA TYR 114 14.091 -3.606 -14.938 828 1HB TYR 114 1HB TYR 114 11.897 -1.983 -13.630 829 2HB TYR 114 2HB TYR 114 13.541 -1.375 -13.737 830 HD1 TYR 114 HD1 TYR 114 14.706 -1.426 -16.072 831 HD2 TYR 114 HD2 TYR 114 10.441 -1.490 -15.480 832 HE1 TYR 114 HE1 TYR 114 14.358 -0.596 -18.401 833 HE2 TYR 114 HE2 TYR 114 10.097 -0.772 -17.831 834 HH TYR 114 HH TYR 114 11.102 -0.150 -19.807 835 H ILE 115 H ILE 115 12.507 -4.165 -11.752 836 HA ILE 115 HA ILE 115 15.033 -3.635 -10.341 837 HB ILE 115 HB ILE 115 13.890 -4.167 -8.311 838 1HG1 ILE 115 1HG1 ILE 115 11.218 -4.520 -8.684 839 2HG1 ILE 115 2HG1 ILE 115 11.819 -5.442 -10.058 840 1HG2 ILE 115 1HG2 ILE 115 12.253 -2.392 -8.304 841 2HG2 ILE 115 2HG2 ILE 115 13.635 -1.934 -9.310 842 3HG2 ILE 115 3HG2 ILE 115 12.113 -2.441 -10.069 843 1HD1 ILE 115 1HD1 ILE 115 11.456 -6.851 -8.078 844 2HD1 ILE 115 2HD1 ILE 115 13.166 -6.855 -8.531 845 3HD1 ILE 115 3HD1 ILE 115 12.614 -5.877 -7.152 846 H GLY 116 H GLY 116 13.744 -6.388 -11.928 847 1HA GLY 116 1HA GLY 116 15.099 -8.391 -10.257 848 2HA GLY 116 2HA GLY 116 14.143 -8.679 -11.705 849 H LYS 117 H LYS 117 16.548 -9.992 -11.176 850 HA LYS 117 HA LYS 117 18.815 -8.815 -12.472 851 1HB LYS 117 1HB LYS 117 18.184 -11.736 -11.901 852 2HB LYS 117 2HB LYS 117 19.728 -11.134 -12.525 853 1HG LYS 117 1HG LYS 117 19.869 -9.596 -10.508 854 2HG LYS 117 2HG LYS 117 18.463 -10.449 -9.840 855 1HD LYS 117 1HD LYS 117 19.746 -12.596 -9.980 856 2HD LYS 117 2HD LYS 117 21.151 -11.685 -10.588 857 1HE LYS 117 1HE LYS 117 21.171 -10.331 -8.507 858 2HE LYS 117 2HE LYS 117 19.775 -11.230 -7.900 859 1HZ LYS 117 1HZ LYS 117 22.432 -12.420 -8.503 860 2HZ LYS 117 2HZ LYS 117 21.852 -12.117 -7.010 861 3HZ LYS 117 3HZ LYS 117 21.140 -13.251 -7.941 862 H THR 118 H THR 118 16.019 -10.284 -13.911 863 HA THR 118 HA THR 118 17.016 -11.189 -16.386 864 HB THR 118 HB THR 118 14.401 -9.685 -15.990 865 HG1 THR 118 HG1 THR 118 13.568 -11.715 -15.427 866 1HG2 THR 118 1HG2 THR 118 13.560 -11.262 -17.708 867 2HG2 THR 118 2HG2 THR 118 14.896 -10.294 -18.345 868 3HG2 THR 118 3HG2 THR 118 15.181 -11.977 -17.853 869 H HIS 119 H HIS 119 16.098 -7.848 -15.423 870 HA HIS 119 HA HIS 119 16.752 -6.645 -17.989 871 1HB HIS 119 1HB HIS 119 15.168 -5.701 -16.321 872 2HB HIS 119 2HB HIS 119 16.509 -5.401 -15.215 873 HD2 HIS 119 HD2 HIS 119 17.614 -3.051 -15.464 874 HE1 HIS 119 HE1 HIS 119 16.212 -2.020 -19.357 875 HE2 HIS 119 HE2 HIS 119 17.504 -1.187 -17.329 876 H ILE 120 H ILE 120 18.463 -6.965 -14.880 877 HA ILE 120 HA ILE 120 20.793 -5.480 -15.541 878 HB ILE 120 HB ILE 120 20.323 -7.645 -13.488 879 1HG1 ILE 120 1HG1 ILE 120 20.397 -4.583 -13.347 880 2HG1 ILE 120 2HG1 ILE 120 18.939 -5.555 -13.332 881 1HG2 ILE 120 1HG2 ILE 120 22.747 -7.519 -13.914 882 2HG2 ILE 120 2HG2 ILE 120 22.703 -5.752 -13.699 883 3HG2 ILE 120 3HG2 ILE 120 22.358 -6.854 -12.343 884 1HD1 ILE 120 1HD1 ILE 120 19.688 -6.643 -11.197 885 2HD1 ILE 120 2HD1 ILE 120 21.033 -5.473 -11.138 886 3HD1 ILE 120 3HD1 ILE 120 19.359 -4.903 -11.086 887 H LYS 121 H LYS 121 20.043 -8.890 -16.197 888 HA LYS 121 HA LYS 121 22.621 -9.742 -17.082 889 1HB LYS 121 1HB LYS 121 20.648 -11.220 -16.727 890 2HB LYS 121 2HB LYS 121 19.867 -10.517 -18.151 891 1HG LYS 121 1HG LYS 121 21.707 -11.362 -19.588 892 2HG LYS 121 2HG LYS 121 22.516 -12.035 -18.155 893 1HD LYS 121 1HD LYS 121 20.581 -13.511 -17.759 894 2HD LYS 121 2HD LYS 121 19.758 -12.817 -19.179 895 1HE LYS 121 1HE LYS 121 21.620 -13.596 -20.630 896 2HE LYS 121 2HE LYS 121 22.435 -14.287 -19.222 897 1HZ LYS 121 1HZ LYS 121 21.166 -15.973 -20.425 898 2HZ LYS 121 2HZ LYS 121 20.527 -15.783 -18.936 899 3HZ LYS 121 3HZ LYS 121 19.774 -15.143 -20.239 900 H ASN 122 H ASN 122 20.044 -7.981 -18.839 901 HA ASN 122 HA ASN 122 21.607 -7.786 -21.289 902 1HB ASN 122 1HB ASN 122 18.999 -6.582 -20.339 903 2HB ASN 122 2HB ASN 122 19.843 -5.910 -21.730 904 1HD2 ASN 122 1HD2 ASN 122 18.632 -6.582 -23.468 905 2HD2 ASN 122 2HD2 ASN 122 18.307 -8.285 -23.784 906 H LEU 123 H LEU 123 21.194 -5.592 -18.435 907 HA LEU 123 HA LEU 123 22.605 -3.363 -19.493 908 1HB LEU 123 1HB LEU 123 22.825 -4.427 -16.645 909 2HB LEU 123 2HB LEU 123 23.279 -2.829 -17.197 910 HG LEU 123 HG LEU 123 20.446 -3.923 -17.066 911 1HD1 LEU 123 1HD1 LEU 123 21.577 -3.349 -14.890 912 2HD1 LEU 123 2HD1 LEU 123 21.816 -1.703 -15.493 913 3HD1 LEU 123 3HD1 LEU 123 20.171 -2.331 -15.252 914 1HD2 LEU 123 1HD2 LEU 123 21.453 -1.183 -17.908 915 2HD2 LEU 123 2HD2 LEU 123 20.551 -2.352 -18.910 916 3HD2 LEU 123 3HD2 LEU 123 19.769 -1.590 -17.518 917 H ARG 124 H ARG 124 23.920 -6.261 -17.861 918 HA ARG 124 HA ARG 124 26.706 -5.613 -18.091 919 1HB ARG 124 1HB ARG 124 25.270 -8.299 -17.931 920 2HB ARG 124 2HB ARG 124 27.023 -8.103 -17.840 921 1HG ARG 124 1HG ARG 124 26.808 -6.711 -15.815 922 2HG ARG 124 2HG ARG 124 25.049 -6.784 -15.918 923 1HD ARG 124 1HD ARG 124 25.743 -8.353 -14.255 924 2HD ARG 124 2HD ARG 124 25.136 -9.256 -15.655 925 HE ARG 124 HE ARG 124 28.003 -8.877 -15.809 926 1HH1 ARG 124 1HH1 ARG 124 25.666 -10.865 -14.117 927 2HH1 ARG 124 2HH1 ARG 124 26.805 -12.162 -13.883 928 1HH2 ARG 124 1HH2 ARG 124 29.402 -10.571 -15.481 929 2HH2 ARG 124 2HH2 ARG 124 28.865 -11.989 -14.633 930 H LEU 125 H LEU 125 24.580 -7.395 -20.349 931 HA LEU 125 HA LEU 125 26.651 -7.960 -22.276 932 1HB LEU 125 1HB LEU 125 23.620 -7.822 -22.491 933 2HB LEU 125 2HB LEU 125 24.652 -8.315 -23.825 934 HG LEU 125 HG LEU 125 24.654 -9.751 -21.135 935 1HD1 LEU 125 1HD1 LEU 125 23.164 -10.450 -23.699 936 2HD1 LEU 125 2HD1 LEU 125 23.270 -11.462 -22.240 937 3HD1 LEU 125 3HD1 LEU 125 22.425 -9.911 -22.174 938 1HD2 LEU 125 1HD2 LEU 125 26.688 -10.144 -22.463 939 2HD2 LEU 125 2HD2 LEU 125 25.674 -11.588 -22.436 940 3HD2 LEU 125 3HD2 LEU 125 25.699 -10.556 -23.882 941 H ARG 126 H ARG 126 24.429 -5.171 -21.944 942 HA ARG 126 HA ARG 126 25.254 -3.895 -24.443 943 1HB ARG 126 1HB ARG 126 23.727 -2.961 -21.983 944 2HB ARG 126 2HB ARG 126 24.345 -1.795 -23.142 945 1HG ARG 126 1HG ARG 126 22.123 -2.174 -23.788 946 2HG ARG 126 2HG ARG 126 23.129 -2.984 -24.987 947 1HD ARG 126 1HD ARG 126 22.680 -5.171 -23.780 948 2HD ARG 126 2HD ARG 126 21.650 -4.264 -22.662 949 HE ARG 126 HE ARG 126 19.942 -4.291 -24.174 950 1HH1 ARG 126 1HH1 ARG 126 22.813 -5.089 -26.037 951 2HH1 ARG 126 2HH1 ARG 126 21.866 -5.542 -27.427 952 1HH2 ARG 126 1HH2 ARG 126 18.843 -4.902 -25.898 953 2HH2 ARG 126 2HH2 ARG 126 19.654 -5.406 -27.367 954 H GLU 127 H GLU 127 26.399 -3.626 -21.074 955 HA GLU 127 HA GLU 127 28.374 -1.567 -21.679 956 1HB GLU 127 1HB GLU 127 28.001 -3.470 -19.331 957 2HB GLU 127 2HB GLU 127 29.321 -2.299 -19.435 958 1HG GLU 127 1HG GLU 127 27.676 -0.450 -19.675 959 2HG GLU 127 2HG GLU 127 26.356 -1.595 -19.472 960 H GLN 128 H GLN 128 28.467 -5.122 -21.699 961 HA GLN 128 HA GLN 128 31.084 -5.071 -23.078 962 1HB GLN 128 1HB GLN 128 31.542 -5.269 -20.632 963 2HB GLN 128 2HB GLN 128 30.533 -6.717 -20.563 964 1HG GLN 128 1HG GLN 128 32.073 -7.849 -22.163 965 2HG GLN 128 2HG GLN 128 33.055 -6.383 -22.250 966 1HE2 GLN 128 1HE2 GLN 128 32.370 -9.274 -20.373 967 2HE2 GLN 128 2HE2 GLN 128 33.556 -8.942 -19.117 Start of MODEL 20 1 1H ALA 2 1H ALA 2 -19.122 23.449 -4.758 2 HA ALA 2 HA ALA 2 -19.795 23.323 -7.668 3 1HB ALA 2 1HB ALA 2 -18.085 21.312 -6.140 4 2HB ALA 2 2HB ALA 2 -18.575 21.199 -7.846 5 3HB ALA 2 3HB ALA 2 -17.487 22.497 -7.325 6 H ASP 3 H ASP 3 -21.139 23.056 -4.708 7 HA ASP 3 HA ASP 3 -22.472 20.556 -4.646 8 1HB ASP 3 1HB ASP 3 -22.262 22.186 -2.775 9 2HB ASP 3 2HB ASP 3 -23.411 23.247 -3.590 10 H GLU 4 H GLU 4 -23.140 23.362 -6.627 11 HA GLU 4 HA GLU 4 -25.863 22.847 -7.357 12 1HB GLU 4 1HB GLU 4 -24.546 24.963 -7.663 13 2HB GLU 4 2HB GLU 4 -23.652 24.186 -8.974 14 1HG GLU 4 1HG GLU 4 -25.710 23.988 -10.298 15 2HG GLU 4 2HG GLU 4 -26.681 24.553 -8.935 16 H PHE 5 H PHE 5 -22.987 21.132 -8.150 17 HA PHE 5 HA PHE 5 -24.413 19.438 -10.132 18 1HB PHE 5 1HB PHE 5 -22.843 21.181 -11.173 19 2HB PHE 5 2HB PHE 5 -21.516 20.305 -10.430 20 HD1 PHE 5 HD1 PHE 5 -20.491 18.575 -11.718 21 HD2 PHE 5 HD2 PHE 5 -24.520 19.798 -12.650 22 HE1 PHE 5 HE1 PHE 5 -20.473 17.108 -13.723 23 HE2 PHE 5 HE2 PHE 5 -24.502 18.326 -14.653 24 HZ PHE 5 HZ PHE 5 -22.479 16.980 -15.191 25 H GLY 6 H GLY 6 -23.988 19.132 -7.257 26 1HA GLY 6 1HA GLY 6 -22.851 16.417 -7.212 27 2HA GLY 6 2HA GLY 6 -21.997 17.615 -6.238 28 H ASN 7 H ASN 7 -22.647 15.962 -4.562 29 HA ASN 7 HA ASN 7 -25.030 16.893 -3.107 30 1HB ASN 7 1HB ASN 7 -25.852 15.080 -4.640 31 2HB ASN 7 2HB ASN 7 -24.696 13.961 -3.922 32 1HD2 ASN 7 1HD2 ASN 7 -27.315 13.238 -3.930 33 2HD2 ASN 7 2HD2 ASN 7 -27.974 13.382 -2.306 34 H GLY 8 H GLY 8 -24.518 17.052 -0.993 35 1HA GLY 8 1HA GLY 8 -21.985 16.352 0.116 36 2HA GLY 8 2HA GLY 8 -23.422 16.858 1.013 37 H ASP 9 H ASP 9 -24.922 14.435 -0.157 38 HA ASP 9 HA ASP 9 -24.482 12.594 1.998 39 1HB ASP 9 1HB ASP 9 -26.631 13.036 0.772 40 2HB ASP 9 2HB ASP 9 -25.968 12.185 -0.624 41 H ALA 10 H ALA 10 -22.785 12.908 -0.982 42 HA ALA 10 HA ALA 10 -22.048 10.161 -1.440 43 1HB ALA 10 1HB ALA 10 -22.169 11.935 -3.182 44 2HB ALA 10 2HB ALA 10 -20.790 12.761 -2.419 45 3HB ALA 10 3HB ALA 10 -20.583 11.149 -3.136 46 H LEU 11 H LEU 11 -21.447 11.098 1.340 47 HA LEU 11 HA LEU 11 -18.575 10.373 1.515 48 1HB LEU 11 1HB LEU 11 -18.777 12.817 1.704 49 2HB LEU 11 2HB LEU 11 -19.992 12.634 2.970 50 HG LEU 11 HG LEU 11 -18.317 11.571 4.443 51 1HD1 LEU 11 1HD1 LEU 11 -15.888 11.731 3.838 52 2HD1 LEU 11 2HD1 LEU 11 -16.755 10.570 2.835 53 3HD1 LEU 11 3HD1 LEU 11 -16.358 12.176 2.184 54 1HD2 LEU 11 1HD2 LEU 11 -18.671 13.999 4.534 55 2HD2 LEU 11 2HD2 LEU 11 -16.976 13.612 4.863 56 3HD2 LEU 11 3HD2 LEU 11 -17.450 14.243 3.268 57 H ASP 12 H ASP 12 -18.324 8.693 2.754 58 HA ASP 12 HA ASP 12 -20.363 7.890 4.777 59 1HB ASP 12 1HB ASP 12 -20.308 5.673 3.928 60 2HB ASP 12 2HB ASP 12 -20.566 6.746 2.565 61 H LEU 13 H LEU 13 -17.557 9.107 5.125 62 HA LEU 13 HA LEU 13 -15.917 7.082 6.324 63 1HB LEU 13 1HB LEU 13 -14.406 8.708 6.644 64 2HB LEU 13 2HB LEU 13 -15.359 9.473 5.406 65 HG LEU 13 HG LEU 13 -15.422 10.087 8.394 66 1HD1 LEU 13 1HD1 LEU 13 -14.451 12.246 7.636 67 2HD1 LEU 13 2HD1 LEU 13 -13.413 10.871 7.231 68 3HD1 LEU 13 3HD1 LEU 13 -14.407 11.638 5.971 69 1HD2 LEU 13 1HD2 LEU 13 -16.846 11.998 7.858 70 2HD2 LEU 13 2HD2 LEU 13 -16.875 11.534 6.149 71 3HD2 LEU 13 3HD2 LEU 13 -17.674 10.519 7.365 72 HA PRO 14 HA PRO 14 -17.682 6.479 10.299 73 1HB PRO 14 1HB PRO 14 -15.641 6.352 12.116 74 2HB PRO 14 2HB PRO 14 -15.894 5.117 10.843 75 1HG PRO 14 1HG PRO 14 -14.031 7.495 10.778 76 2HG PRO 14 2HG PRO 14 -13.642 5.792 10.402 77 1HD PRO 14 1HD PRO 14 -14.214 7.586 8.454 78 2HD PRO 14 2HD PRO 14 -14.805 5.903 8.322 79 H VAL 15 H VAL 15 -18.407 7.441 12.235 80 HA VAL 15 HA VAL 15 -17.509 10.182 12.891 81 HB VAL 15 HB VAL 15 -19.265 10.254 11.110 82 1HG1 VAL 15 1HG1 VAL 15 -21.209 9.368 13.273 83 2HG1 VAL 15 2HG1 VAL 15 -21.598 9.909 11.631 84 3HG1 VAL 15 3HG1 VAL 15 -20.706 8.401 11.868 85 1HG2 VAL 15 1HG2 VAL 15 -18.799 12.188 12.565 86 2HG2 VAL 15 2HG2 VAL 15 -20.460 12.125 11.954 87 3HG2 VAL 15 3HG2 VAL 15 -20.128 11.685 13.635 88 H GLY 16 H GLY 16 -17.275 7.620 14.215 89 1HA GLY 16 1HA GLY 16 -17.720 8.465 16.895 90 2HA GLY 16 2HA GLY 16 -18.961 7.281 16.470 91 H LYS 17 H LYS 17 -17.117 6.853 18.499 92 HA LYS 17 HA LYS 17 -14.750 5.447 17.883 93 1HB LYS 17 1HB LYS 17 -15.378 6.333 20.074 94 2HB LYS 17 2HB LYS 17 -16.631 5.099 20.258 95 1HG LYS 17 1HG LYS 17 -15.015 3.333 20.428 96 2HG LYS 17 2HG LYS 17 -13.718 4.357 19.799 97 1HD LYS 17 1HD LYS 17 -13.962 5.831 21.826 98 2HD LYS 17 2HD LYS 17 -15.098 4.637 22.500 99 1HE LYS 17 1HE LYS 17 -13.301 2.900 22.360 100 2HE LYS 17 2HE LYS 17 -12.217 4.100 21.646 101 1HZ LYS 17 1HZ LYS 17 -13.220 4.035 24.425 102 2HZ LYS 17 2HZ LYS 17 -11.660 4.114 23.883 103 3HZ LYS 17 3HZ LYS 17 -12.619 5.414 23.775 104 H ASP 18 H ASP 18 -18.054 4.150 18.152 105 HA ASP 18 HA ASP 18 -17.388 1.376 17.844 106 1HB ASP 18 1HB ASP 18 -19.926 2.911 17.149 107 2HB ASP 18 2HB ASP 18 -19.784 1.155 17.147 108 H ALA 19 H ALA 19 -18.117 3.914 15.410 109 HA ALA 19 HA ALA 19 -18.062 2.136 13.135 110 1HB ALA 19 1HB ALA 19 -17.945 4.205 11.822 111 2HB ALA 19 2HB ALA 19 -19.187 4.337 13.085 112 3HB ALA 19 3HB ALA 19 -17.617 5.152 13.287 113 H VAL 20 H VAL 20 -15.570 4.233 14.685 114 HA VAL 20 HA VAL 20 -13.457 3.605 12.825 115 HB VAL 20 HB VAL 20 -13.331 4.501 15.733 116 1HG1 VAL 20 1HG1 VAL 20 -11.207 3.464 15.279 117 2HG1 VAL 20 2HG1 VAL 20 -11.141 4.162 13.646 118 3HG1 VAL 20 3HG1 VAL 20 -10.960 5.199 15.076 119 1HG2 VAL 20 1HG2 VAL 20 -12.934 6.010 13.108 120 2HG2 VAL 20 2HG2 VAL 20 -14.337 6.158 14.184 121 3HG2 VAL 20 3HG2 VAL 20 -12.750 6.686 14.743 122 H ASN 21 H ASN 21 -14.399 2.057 15.952 123 HA ASN 21 HA ASN 21 -12.358 0.073 15.977 124 1HB ASN 21 1HB ASN 21 -13.689 0.620 17.932 125 2HB ASN 21 2HB ASN 21 -15.187 0.202 17.108 126 1HD2 ASN 21 1HD2 ASN 21 -15.912 -1.874 17.227 127 2HD2 ASN 21 2HD2 ASN 21 -14.987 -3.190 17.945 128 H SER 22 H SER 22 -15.655 -0.007 14.526 129 HA SER 22 HA SER 22 -15.477 -2.692 13.509 130 1HB SER 22 1HB SER 22 -17.130 -0.307 12.562 131 2HB SER 22 2HB SER 22 -17.343 -1.976 12.014 132 HG SER 22 HG SER 22 -17.773 -0.870 14.586 133 H LEU 23 H LEU 23 -14.687 0.472 12.001 134 HA LEU 23 HA LEU 23 -14.013 -0.499 9.419 135 1HB LEU 23 1HB LEU 23 -14.449 1.872 10.080 136 2HB LEU 23 2HB LEU 23 -12.945 1.887 10.994 137 HG LEU 23 HG LEU 23 -11.667 1.570 8.877 138 1HD1 LEU 23 1HD1 LEU 23 -13.367 0.455 7.475 139 2HD1 LEU 23 2HD1 LEU 23 -14.414 1.886 7.579 140 3HD1 LEU 23 3HD1 LEU 23 -12.862 1.970 6.720 141 1HD2 LEU 23 1HD2 LEU 23 -13.641 3.889 8.919 142 2HD2 LEU 23 2HD2 LEU 23 -12.096 3.813 9.795 143 3HD2 LEU 23 3HD2 LEU 23 -12.102 3.858 8.024 144 H ILE 24 H ILE 24 -11.974 -0.098 12.332 145 HA ILE 24 HA ILE 24 -9.521 -1.041 11.136 146 HB ILE 24 HB ILE 24 -10.481 -0.945 14.020 147 1HG1 ILE 24 1HG1 ILE 24 -8.362 0.790 12.672 148 2HG1 ILE 24 2HG1 ILE 24 -10.056 1.250 12.709 149 1HG2 ILE 24 1HG2 ILE 24 -7.729 -1.652 12.920 150 2HG2 ILE 24 2HG2 ILE 24 -8.047 -1.273 14.628 151 3HG2 ILE 24 3HG2 ILE 24 -8.779 -2.692 13.904 152 1HD1 ILE 24 1HD1 ILE 24 -10.002 1.071 15.239 153 2HD1 ILE 24 2HD1 ILE 24 -8.234 0.895 15.118 154 3HD1 ILE 24 3HD1 ILE 24 -9.025 2.366 14.543 155 H ARG 25 H ARG 25 -12.063 -2.715 13.064 156 HA ARG 25 HA ARG 25 -10.930 -5.312 13.108 157 1HB ARG 25 1HB ARG 25 -12.808 -4.517 14.502 158 2HB ARG 25 2HB ARG 25 -13.839 -4.434 13.065 159 1HG ARG 25 1HG ARG 25 -13.562 -6.919 12.828 160 2HG ARG 25 2HG ARG 25 -12.647 -6.896 14.352 161 1HD ARG 25 1HD ARG 25 -14.972 -7.543 14.770 162 2HD ARG 25 2HD ARG 25 -14.626 -5.972 15.511 163 HE ARG 25 HE ARG 25 -15.803 -6.025 12.768 164 1HH1 ARG 25 1HH1 ARG 25 -16.504 -5.366 16.158 165 2HH1 ARG 25 2HH1 ARG 25 -17.787 -4.258 15.737 166 1HH2 ARG 25 1HH2 ARG 25 -17.339 -4.582 12.349 167 2HH2 ARG 25 2HH2 ARG 25 -18.127 -3.717 13.646 168 H GLU 26 H GLU 26 -13.240 -3.979 10.677 169 HA GLU 26 HA GLU 26 -13.245 -6.348 9.041 170 1HB GLU 26 1HB GLU 26 -14.234 -3.492 8.810 171 2HB GLU 26 2HB GLU 26 -14.152 -4.487 7.371 172 1HG GLU 26 1HG GLU 26 -16.337 -4.677 8.207 173 2HG GLU 26 2HG GLU 26 -15.521 -6.223 8.401 174 H ASN 27 H ASN 27 -10.872 -3.829 9.296 175 HA ASN 27 HA ASN 27 -9.587 -4.765 6.770 176 1HB ASN 27 1HB ASN 27 -9.848 -1.902 7.719 177 2HB ASN 27 2HB ASN 27 -8.947 -2.422 6.307 178 1HD2 ASN 27 1HD2 ASN 27 -12.103 -1.709 7.550 179 2HD2 ASN 27 2HD2 ASN 27 -12.944 -1.926 5.990 180 H SER 28 H SER 28 -8.919 -5.798 9.301 181 HA SER 28 HA SER 28 -6.809 -4.600 10.672 182 1HB SER 28 1HB SER 28 -6.254 -6.866 11.450 183 2HB SER 28 2HB SER 28 -7.993 -6.528 11.503 184 HG SER 28 HG SER 28 -7.536 -8.598 10.598 185 H HIS 29 H HIS 29 -6.623 -5.910 7.484 186 HA HIS 29 HA HIS 29 -3.756 -6.435 7.405 187 1HB HIS 29 1HB HIS 29 -4.202 -6.778 5.004 188 2HB HIS 29 2HB HIS 29 -5.301 -7.696 6.022 189 HD2 HIS 29 HD2 HIS 29 -5.411 -5.730 2.973 190 HE1 HIS 29 HE1 HIS 29 -9.321 -5.204 4.587 191 HE2 HIS 29 HE2 HIS 29 -7.911 -4.958 2.519 192 H ILE 30 H ILE 30 -5.626 -3.541 7.184 193 HA ILE 30 HA ILE 30 -3.237 -2.039 6.202 194 HB ILE 30 HB ILE 30 -4.746 -0.524 4.932 195 1HG1 ILE 30 1HG1 ILE 30 -6.808 -2.754 5.193 196 2HG1 ILE 30 2HG1 ILE 30 -6.892 -1.190 6.006 197 1HG2 ILE 30 1HG2 ILE 30 -4.689 -3.368 3.871 198 2HG2 ILE 30 2HG2 ILE 30 -4.734 -1.867 2.925 199 3HG2 ILE 30 3HG2 ILE 30 -3.304 -2.258 3.880 200 1HD1 ILE 30 1HD1 ILE 30 -7.034 -1.668 3.006 201 2HD1 ILE 30 2HD1 ILE 30 -8.335 -1.140 4.084 202 3HD1 ILE 30 3HD1 ILE 30 -6.964 -0.062 3.774 203 H PHE 31 H PHE 31 -5.920 -2.121 8.422 204 HA PHE 31 HA PHE 31 -5.020 0.492 9.596 205 1HB PHE 31 1HB PHE 31 -7.785 -0.729 9.745 206 2HB PHE 31 2HB PHE 31 -7.299 0.837 10.364 207 HD1 PHE 31 HD1 PHE 31 -9.676 0.126 8.610 208 HD2 PHE 31 HD2 PHE 31 -5.772 1.682 7.673 209 HE1 PHE 31 HE1 PHE 31 -10.544 0.995 6.454 210 HE2 PHE 31 HE2 PHE 31 -6.643 2.559 5.527 211 HZ PHE 31 HZ PHE 31 -9.021 2.175 4.893 212 H SER 32 H SER 32 -4.871 0.527 11.860 213 HA SER 32 HA SER 32 -5.519 -1.880 13.434 214 1HB SER 32 1HB SER 32 -3.308 -2.312 14.221 215 2HB SER 32 2HB SER 32 -3.251 -2.332 12.455 216 HG SER 32 HG SER 32 -2.488 -0.162 12.544 217 H ASP 33 H ASP 33 -4.821 -1.589 15.745 218 HA ASP 33 HA ASP 33 -6.058 0.682 16.886 219 1HB ASP 33 1HB ASP 33 -5.804 -1.618 17.853 220 2HB ASP 33 2HB ASP 33 -4.088 -1.294 18.111 221 H THR 34 H THR 34 -2.745 0.325 15.807 222 HA THR 34 HA THR 34 -2.017 2.937 17.057 223 HB THR 34 HB THR 34 0.263 2.055 17.487 224 HG1 THR 34 HG1 THR 34 0.530 -0.188 17.473 225 1HG2 THR 34 1HG2 THR 34 -0.240 0.826 19.498 226 2HG2 THR 34 2HG2 THR 34 -1.446 2.108 19.299 227 3HG2 THR 34 3HG2 THR 34 -1.871 0.424 18.918 228 H GLN 35 H GLN 35 -2.374 1.534 14.054 229 HA GLN 35 HA GLN 35 -0.716 3.606 12.836 230 1HB GLN 35 1HB GLN 35 0.903 1.711 13.376 231 2HB GLN 35 2HB GLN 35 -0.042 0.668 12.318 232 1HG GLN 35 1HG GLN 35 0.543 2.132 10.381 233 2HG GLN 35 2HG GLN 35 1.400 3.218 11.482 234 1HE2 GLN 35 1HE2 GLN 35 3.487 2.965 10.547 235 2HE2 GLN 35 2HE2 GLN 35 4.325 1.423 10.597 236 H CYS 36 H CYS 36 -1.224 4.044 10.712 237 HA CYS 36 HA CYS 36 -3.350 2.389 9.360 238 1HB CYS 36 1HB CYS 36 -4.214 4.612 10.045 239 2HB CYS 36 2HB CYS 36 -2.876 5.386 9.179 240 H LYS 37 H LYS 37 -2.397 1.261 7.692 241 HA LYS 37 HA LYS 37 0.154 1.963 6.567 242 1HB LYS 37 1HB LYS 37 -0.930 -0.327 7.032 243 2HB LYS 37 2HB LYS 37 -1.907 -0.062 5.574 244 1HG LYS 37 1HG LYS 37 0.124 0.144 4.232 245 2HG LYS 37 2HG LYS 37 1.120 0.042 5.708 246 1HD LYS 37 1HD LYS 37 0.296 -2.228 6.139 247 2HD LYS 37 2HD LYS 37 -0.745 -2.151 4.699 248 1HE LYS 37 1HE LYS 37 1.268 -1.876 3.265 249 2HE LYS 37 2HE LYS 37 2.304 -1.945 4.695 250 1HZ LYS 37 1HZ LYS 37 1.506 -4.216 5.086 251 2HZ LYS 37 2HZ LYS 37 0.541 -4.153 3.768 252 3HZ LYS 37 3HZ LYS 37 2.163 -4.109 3.596 253 H VAL 38 H VAL 38 -3.204 2.302 5.346 254 HA VAL 38 HA VAL 38 -2.574 3.024 2.650 255 HB VAL 38 HB VAL 38 -4.900 3.855 4.423 256 1HG1 VAL 38 1HG1 VAL 38 -4.761 5.546 2.667 257 2HG1 VAL 38 2HG1 VAL 38 -4.557 4.287 1.425 258 3HG1 VAL 38 3HG1 VAL 38 -6.084 4.445 2.315 259 1HG2 VAL 38 1HG2 VAL 38 -4.772 1.445 3.889 260 2HG2 VAL 38 2HG2 VAL 38 -6.135 2.195 3.052 261 3HG2 VAL 38 3HG2 VAL 38 -4.647 1.819 2.160 262 H CYS 39 H CYS 39 -2.721 5.019 5.594 263 HA CYS 39 HA CYS 39 -1.816 7.434 4.134 264 1HB CYS 39 1HB CYS 39 -2.748 6.932 6.977 265 2HB CYS 39 2HB CYS 39 -2.405 8.502 6.266 266 H SER 40 H SER 40 -0.330 4.802 5.432 267 HA SER 40 HA SER 40 1.496 4.256 6.639 268 1HB SER 40 1HB SER 40 2.557 6.201 4.550 269 2HB SER 40 2HB SER 40 3.613 5.173 5.536 270 HG SER 40 HG SER 40 1.454 4.054 4.075 271 H ALA 41 H ALA 41 0.311 5.563 8.369 272 HA ALA 41 HA ALA 41 2.288 7.366 9.712 273 1HB ALA 41 1HB ALA 41 0.436 8.869 10.358 274 2HB ALA 41 2HB ALA 41 0.601 8.774 8.594 275 3HB ALA 41 3HB ALA 41 -0.704 7.884 9.415 276 H VAL 42 H VAL 42 2.381 7.292 11.895 277 HA VAL 42 HA VAL 42 1.196 4.939 13.234 278 HB VAL 42 HB VAL 42 3.274 6.962 14.191 279 1HG1 VAL 42 1HG1 VAL 42 2.463 4.271 15.386 280 2HG1 VAL 42 2HG1 VAL 42 3.844 5.257 15.903 281 3HG1 VAL 42 3HG1 VAL 42 2.213 5.869 16.130 282 1HG2 VAL 42 1HG2 VAL 42 3.601 4.122 13.114 283 2HG2 VAL 42 2HG2 VAL 42 4.121 5.614 12.297 284 3HG2 VAL 42 3HG2 VAL 42 4.899 5.123 13.799 285 H LEU 43 H LEU 43 -0.009 5.025 15.065 286 HA LEU 43 HA LEU 43 -1.454 7.550 15.756 287 1HB LEU 43 1HB LEU 43 -2.591 4.733 15.558 288 2HB LEU 43 2HB LEU 43 -3.482 6.203 15.902 289 HG LEU 43 HG LEU 43 -2.059 5.612 13.258 290 1HD1 LEU 43 1HD1 LEU 43 -3.933 4.072 13.655 291 2HD1 LEU 43 2HD1 LEU 43 -5.017 5.457 13.888 292 3HD1 LEU 43 3HD1 LEU 43 -4.241 5.197 12.322 293 1HD2 LEU 43 1HD2 LEU 43 -3.388 7.483 12.394 294 2HD2 LEU 43 2HD2 LEU 43 -4.031 7.802 14.026 295 3HD2 LEU 43 3HD2 LEU 43 -2.308 8.031 13.675 296 H ILE 44 H ILE 44 0.335 7.652 17.271 297 HA ILE 44 HA ILE 44 1.082 5.847 19.207 298 HB ILE 44 HB ILE 44 1.994 7.751 20.460 299 1HG1 ILE 44 1HG1 ILE 44 0.543 9.535 18.446 300 2HG1 ILE 44 2HG1 ILE 44 0.103 9.347 20.143 301 1HG2 ILE 44 1HG2 ILE 44 3.105 6.766 18.436 302 2HG2 ILE 44 2HG2 ILE 44 2.419 8.085 17.459 303 3HG2 ILE 44 3HG2 ILE 44 3.563 8.435 18.767 304 1HD1 ILE 44 1HD1 ILE 44 2.684 10.556 19.084 305 2HD1 ILE 44 2HD1 ILE 44 1.349 11.387 19.895 306 3HD1 ILE 44 3HD1 ILE 44 2.347 10.234 20.804 307 H SER 45 H SER 45 -1.931 7.554 19.370 308 HA SER 45 HA SER 45 -2.535 6.328 22.006 309 1HB SER 45 1HB SER 45 -2.929 9.290 21.384 310 2HB SER 45 2HB SER 45 -3.533 8.448 22.822 311 HG SER 45 HG SER 45 -1.570 9.548 23.238 312 H GLU 46 H GLU 46 -4.847 6.204 22.435 313 HA GLU 46 HA GLU 46 -6.446 5.526 20.182 314 1HB GLU 46 1HB GLU 46 -6.796 4.651 22.419 315 2HB GLU 46 2HB GLU 46 -7.309 6.239 23.012 316 1HG GLU 46 1HG GLU 46 -9.333 6.178 21.802 317 2HG GLU 46 2HG GLU 46 -8.715 5.020 20.626 318 H SER 47 H SER 47 -6.332 8.672 21.968 319 HA SER 47 HA SER 47 -8.491 9.881 20.551 320 1HB SER 47 1HB SER 47 -6.009 11.284 21.600 321 2HB SER 47 2HB SER 47 -7.598 12.000 21.249 322 HG SER 47 HG SER 47 -7.328 11.547 23.491 323 H GLN 48 H GLN 48 -4.988 9.626 19.674 324 HA GLN 48 HA GLN 48 -5.144 11.238 17.330 325 1HB GLN 48 1HB GLN 48 -3.097 10.542 18.717 326 2HB GLN 48 2HB GLN 48 -3.241 8.941 17.998 327 1HG GLN 48 1HG GLN 48 -1.580 10.235 16.849 328 2HG GLN 48 2HG GLN 48 -2.929 9.856 15.769 329 1HE2 GLN 48 1HE2 GLN 48 -2.316 12.510 18.196 330 2HE2 GLN 48 2HE2 GLN 48 -2.655 13.797 17.046 331 H LYS 49 H LYS 49 -5.530 7.715 17.951 332 HA LYS 49 HA LYS 49 -5.874 6.951 15.197 333 1HB LYS 49 1HB LYS 49 -5.804 4.907 16.098 334 2HB LYS 49 2HB LYS 49 -5.701 5.642 17.685 335 1HG LYS 49 1HG LYS 49 -8.212 5.546 17.836 336 2HG LYS 49 2HG LYS 49 -8.228 4.675 16.295 337 1HD LYS 49 1HD LYS 49 -6.945 2.836 17.332 338 2HD LYS 49 2HD LYS 49 -6.818 3.759 18.847 339 1HE LYS 49 1HE LYS 49 -9.378 3.905 18.808 340 2HE LYS 49 2HE LYS 49 -9.333 2.693 17.510 341 1HZ LYS 49 1HZ LYS 49 -8.698 2.377 20.370 342 2HZ LYS 49 2HZ LYS 49 -9.561 1.400 19.410 343 3HZ LYS 49 3HZ LYS 49 -7.923 1.394 19.310 344 H LEU 50 H LEU 50 -8.255 7.810 17.687 345 HA LEU 50 HA LEU 50 -10.578 7.541 16.036 346 1HB LEU 50 1HB LEU 50 -10.005 9.213 18.526 347 2HB LEU 50 2HB LEU 50 -11.590 9.146 17.763 348 HG LEU 50 HG LEU 50 -10.129 6.756 18.964 349 1HD1 LEU 50 1HD1 LEU 50 -11.881 6.828 20.658 350 2HD1 LEU 50 2HD1 LEU 50 -11.033 8.384 20.619 351 3HD1 LEU 50 3HD1 LEU 50 -12.640 8.223 19.863 352 1HD2 LEU 50 1HD2 LEU 50 -11.521 5.951 17.153 353 2HD2 LEU 50 2HD2 LEU 50 -12.304 5.595 18.681 354 3HD2 LEU 50 3HD2 LEU 50 -12.887 6.958 17.697 355 H ALA 51 H ALA 51 -8.483 10.415 16.594 356 HA ALA 51 HA ALA 51 -10.086 12.128 14.917 357 1HB ALA 51 1HB ALA 51 -8.109 13.619 15.037 358 2HB ALA 51 2HB ALA 51 -8.515 12.971 16.638 359 3HB ALA 51 3HB ALA 51 -7.142 12.299 15.731 360 H HIS 52 H HIS 52 -7.148 10.146 14.201 361 HA HIS 52 HA HIS 52 -6.824 11.035 11.525 362 1HB HIS 52 1HB HIS 52 -5.131 9.794 12.822 363 2HB HIS 52 2HB HIS 52 -6.136 8.342 12.774 364 HD1 HIS 52 HD1 HIS 52 -3.629 10.255 10.700 365 HD2 HIS 52 HD2 HIS 52 -6.496 7.207 10.218 366 HE1 HIS 52 HE1 HIS 52 -3.188 9.198 8.419 367 H TYR 53 H TYR 53 -8.570 8.070 12.705 368 HA TYR 53 HA TYR 53 -9.359 7.310 10.055 369 1HB TYR 53 1HB TYR 53 -10.416 6.514 12.783 370 2HB TYR 53 2HB TYR 53 -10.961 5.787 11.276 371 HD1 TYR 53 HD1 TYR 53 -8.856 5.121 9.643 372 HD2 TYR 53 HD2 TYR 53 -8.832 5.146 13.937 373 HE1 TYR 53 HE1 TYR 53 -6.942 3.522 9.639 374 HE2 TYR 53 HE2 TYR 53 -6.925 3.555 13.942 375 HH TYR 53 HH TYR 53 -5.510 2.318 12.698 376 H GLN 54 H GLN 54 -10.895 9.555 12.313 377 HA GLN 54 HA GLN 54 -13.365 9.700 10.683 378 1HB GLN 54 1HB GLN 54 -12.460 11.197 13.168 379 2HB GLN 54 2HB GLN 54 -14.020 11.421 12.372 380 1HG GLN 54 1HG GLN 54 -14.622 9.067 12.773 381 2HG GLN 54 2HG GLN 54 -13.065 8.781 13.547 382 1HE2 GLN 54 1HE2 GLN 54 -12.582 10.020 15.528 383 2HE2 GLN 54 2HE2 GLN 54 -13.932 10.506 16.571 384 H SER 55 H SER 55 -10.276 11.181 10.469 385 HA SER 55 HA SER 55 -11.145 13.813 9.574 386 1HB SER 55 1HB SER 55 -8.504 12.318 9.326 387 2HB SER 55 2HB SER 55 -8.770 13.955 8.704 388 HG SER 55 HG SER 55 -9.059 13.102 11.405 389 H ARG 56 H ARG 56 -11.431 14.616 7.535 390 HA ARG 56 HA ARG 56 -12.312 12.945 5.418 391 1HB ARG 56 1HB ARG 56 -12.908 15.358 5.799 392 2HB ARG 56 2HB ARG 56 -11.295 15.813 5.252 393 1HG ARG 56 1HG ARG 56 -12.864 16.144 3.461 394 2HG ARG 56 2HG ARG 56 -11.797 14.816 3.011 395 1HD ARG 56 1HD ARG 56 -13.539 13.177 3.610 396 2HD ARG 56 2HD ARG 56 -14.604 14.467 4.170 397 HE ARG 56 HE ARG 56 -14.025 13.665 1.406 398 1HH1 ARG 56 1HH1 ARG 56 -15.344 16.295 3.319 399 2HH1 ARG 56 2HH1 ARG 56 -16.231 16.944 1.969 400 1HH2 ARG 56 1HH2 ARG 56 -15.191 14.549 -0.262 401 2HH2 ARG 56 2HH2 ARG 56 -16.143 15.977 0.005 402 H LYS 57 H LYS 57 -9.073 14.154 6.058 403 HA LYS 57 HA LYS 57 -7.841 13.560 3.536 404 1HB LYS 57 1HB LYS 57 -6.598 13.465 6.324 405 2HB LYS 57 2HB LYS 57 -5.722 13.570 4.800 406 1HG LYS 57 1HG LYS 57 -7.553 15.708 5.974 407 2HG LYS 57 2HG LYS 57 -5.792 15.723 5.933 408 1HD LYS 57 1HD LYS 57 -5.864 15.753 3.429 409 2HD LYS 57 2HD LYS 57 -7.639 15.846 3.506 410 1HE LYS 57 1HE LYS 57 -7.476 17.938 4.828 411 2HE LYS 57 2HE LYS 57 -5.711 17.850 4.761 412 1HZ LYS 57 1HZ LYS 57 -7.490 18.145 2.396 413 2HZ LYS 57 2HZ LYS 57 -6.586 19.332 3.051 414 3HZ LYS 57 3HZ LYS 57 -5.857 18.061 2.336 415 H HIS 58 H HIS 58 -8.434 11.457 6.353 416 HA HIS 58 HA HIS 58 -7.036 9.138 5.297 417 1HB HIS 58 1HB HIS 58 -7.485 9.309 7.662 418 2HB HIS 58 2HB HIS 58 -9.225 9.448 7.389 419 HD2 HIS 58 HD2 HIS 58 -10.612 7.233 6.923 420 HE1 HIS 58 HE1 HIS 58 -7.404 4.444 7.222 421 HE2 HIS 58 HE2 HIS 58 -9.929 4.686 7.028 422 H ALA 59 H ALA 59 -10.502 10.131 5.296 423 HA ALA 59 HA ALA 59 -11.488 7.917 3.829 424 1HB ALA 59 1HB ALA 59 -13.433 9.346 3.409 425 2HB ALA 59 2HB ALA 59 -12.860 9.561 5.075 426 3HB ALA 59 3HB ALA 59 -12.506 10.796 3.848 427 H ASN 60 H ASN 60 -10.222 11.060 2.611 428 HA ASN 60 HA ASN 60 -10.654 10.552 -0.168 429 1HB ASN 60 1HB ASN 60 -10.178 12.781 0.796 430 2HB ASN 60 2HB ASN 60 -8.557 12.260 1.256 431 1HD2 ASN 60 1HD2 ASN 60 -10.642 13.125 -1.488 432 2HD2 ASN 60 2HD2 ASN 60 -9.310 13.291 -2.622 433 H LYS 61 H LYS 61 -7.731 9.909 1.878 434 HA LYS 61 HA LYS 61 -6.225 8.715 -0.278 435 1HB LYS 61 1HB LYS 61 -5.930 8.699 2.742 436 2HB LYS 61 2HB LYS 61 -4.869 7.737 1.693 437 1HG LYS 61 1HG LYS 61 -4.257 9.712 0.387 438 2HG LYS 61 2HG LYS 61 -5.295 10.743 1.369 439 1HD LYS 61 1HD LYS 61 -2.950 9.159 2.508 440 2HD LYS 61 2HD LYS 61 -2.810 10.801 1.854 441 1HE LYS 61 1HE LYS 61 -4.670 11.484 3.474 442 2HE LYS 61 2HE LYS 61 -4.458 9.911 4.248 443 1HZ LYS 61 1HZ LYS 61 -2.361 12.006 3.957 444 2HZ LYS 61 2HZ LYS 61 -3.099 11.598 5.351 445 3HZ LYS 61 3HZ LYS 61 -2.088 10.541 4.616 446 H VAL 62 H VAL 62 -8.460 7.234 2.088 447 HA VAL 62 HA VAL 62 -7.977 4.515 1.201 448 HB VAL 62 HB VAL 62 -10.350 5.797 2.599 449 1HG1 VAL 62 1HG1 VAL 62 -9.858 2.843 1.983 450 2HG1 VAL 62 2HG1 VAL 62 -11.069 3.461 3.129 451 3HG1 VAL 62 3HG1 VAL 62 -11.225 3.829 1.412 452 1HG2 VAL 62 1HG2 VAL 62 -9.474 4.544 4.528 453 2HG2 VAL 62 2HG2 VAL 62 -8.159 3.882 3.534 454 3HG2 VAL 62 3HG2 VAL 62 -8.215 5.610 3.901 455 H ARG 63 H ARG 63 -10.373 6.991 0.108 456 HA ARG 63 HA ARG 63 -11.581 5.305 -1.899 457 1HB ARG 63 1HB ARG 63 -11.389 8.317 -1.572 458 2HB ARG 63 2HB ARG 63 -12.201 7.550 -2.949 459 1HG ARG 63 1HG ARG 63 -13.677 6.284 -1.429 460 2HG ARG 63 2HG ARG 63 -12.907 7.035 -0.019 461 1HD ARG 63 1HD ARG 63 -13.632 9.253 -0.770 462 2HD ARG 63 2HD ARG 63 -14.295 8.541 -2.259 463 HE ARG 63 HE ARG 63 -15.453 7.332 0.114 464 1HH1 ARG 63 1HH1 ARG 63 -15.781 10.196 -1.918 465 2HH1 ARG 63 2HH1 ARG 63 -17.473 10.368 -1.475 466 1HH2 ARG 63 1HH2 ARG 63 -17.622 7.660 0.568 467 2HH2 ARG 63 2HH2 ARG 63 -18.445 8.988 -0.260 468 H ARG 64 H ARG 64 -8.770 7.509 -2.115 469 HA ARG 64 HA ARG 64 -8.219 7.028 -4.918 470 1HB ARG 64 1HB ARG 64 -6.447 7.892 -2.589 471 2HB ARG 64 2HB ARG 64 -5.855 7.772 -4.241 472 1HG ARG 64 1HG ARG 64 -8.203 9.549 -3.446 473 2HG ARG 64 2HG ARG 64 -6.524 10.086 -3.489 474 1HD ARG 64 1HD ARG 64 -6.414 9.494 -5.919 475 2HD ARG 64 2HD ARG 64 -8.101 8.993 -5.858 476 HE ARG 64 HE ARG 64 -8.805 11.192 -5.834 477 1HH1 ARG 64 1HH1 ARG 64 -5.327 11.250 -5.363 478 2HH1 ARG 64 2HH1 ARG 64 -5.238 12.972 -5.606 479 1HH2 ARG 64 1HH2 ARG 64 -8.607 13.376 -6.155 480 2HH2 ARG 64 2HH2 ARG 64 -7.048 14.136 -6.037 481 H TYR 65 H TYR 65 -7.016 5.367 -1.973 482 HA TYR 65 HA TYR 65 -5.364 3.480 -3.337 483 1HB TYR 65 1HB TYR 65 -5.140 3.844 -0.970 484 2HB TYR 65 2HB TYR 65 -6.810 3.382 -0.670 485 HD1 TYR 65 HD1 TYR 65 -7.164 1.251 0.213 486 HD2 TYR 65 HD2 TYR 65 -3.744 1.924 -2.333 487 HE1 TYR 65 HE1 TYR 65 -6.510 -1.140 0.457 488 HE2 TYR 65 HE2 TYR 65 -3.098 -0.469 -2.092 489 HH TYR 65 HH TYR 65 -5.012 -2.781 -0.143 490 H MET 66 H MET 66 -8.813 3.205 -2.314 491 HA MET 66 HA MET 66 -9.320 0.609 -3.314 492 1HB MET 66 1HB MET 66 -11.123 3.012 -2.901 493 2HB MET 66 2HB MET 66 -11.737 1.452 -3.459 494 1HG MET 66 1HG MET 66 -10.126 1.801 -0.914 495 2HG MET 66 2HG MET 66 -11.883 1.825 -0.969 496 1HE MET 66 1HE MET 66 -10.006 -1.571 0.535 497 2HE MET 66 2HE MET 66 -8.999 -0.226 -0.049 498 3HE MET 66 3HE MET 66 -10.415 0.098 0.983 499 H ALA 67 H ALA 67 -9.342 3.744 -5.039 500 HA ALA 67 HA ALA 67 -10.450 2.731 -7.500 501 1HB ALA 67 1HB ALA 67 -8.732 5.199 -6.984 502 2HB ALA 67 2HB ALA 67 -9.732 4.887 -8.414 503 3HB ALA 67 3HB ALA 67 -10.502 5.116 -6.833 504 H ILE 68 H ILE 68 -7.125 2.896 -6.232 505 HA ILE 68 HA ILE 68 -5.818 2.168 -8.744 506 HB ILE 68 HB ILE 68 -4.866 2.192 -5.854 507 1HG1 ILE 68 1HG1 ILE 68 -4.073 4.009 -8.176 508 2HG1 ILE 68 2HG1 ILE 68 -5.398 4.401 -7.095 509 1HG2 ILE 68 1HG2 ILE 68 -2.565 1.919 -6.776 510 2HG2 ILE 68 2HG2 ILE 68 -3.551 0.502 -7.072 511 3HG2 ILE 68 3HG2 ILE 68 -3.252 1.655 -8.392 512 1HD1 ILE 68 1HD1 ILE 68 -2.485 4.105 -6.278 513 2HD1 ILE 68 2HD1 ILE 68 -3.454 5.584 -6.346 514 3HD1 ILE 68 3HD1 ILE 68 -3.840 4.337 -5.146 515 H ASN 69 H ASN 69 -6.769 0.392 -5.768 516 HA ASN 69 HA ASN 69 -7.311 -2.020 -7.299 517 1HB ASN 69 1HB ASN 69 -5.806 -3.510 -6.100 518 2HB ASN 69 2HB ASN 69 -4.865 -2.281 -6.923 519 1HD2 ASN 69 1HD2 ASN 69 -5.997 -3.396 -3.699 520 2HD2 ASN 69 2HD2 ASN 69 -4.777 -2.482 -2.829 521 H GLN 70 H GLN 70 -8.665 -3.495 -6.171 522 HA GLN 70 HA GLN 70 -10.215 -2.351 -4.005 523 1HB GLN 70 1HB GLN 70 -10.144 -5.195 -5.114 524 2HB GLN 70 2HB GLN 70 -11.296 -4.589 -3.920 525 1HG GLN 70 1HG GLN 70 -11.928 -2.782 -5.649 526 2HG GLN 70 2HG GLN 70 -11.052 -3.759 -6.832 527 1HE2 GLN 70 1HE2 GLN 70 -13.998 -3.443 -4.982 528 2HE2 GLN 70 2HE2 GLN 70 -14.759 -4.932 -5.522 529 H GLY 71 H GLY 71 -10.469 -3.172 -1.889 530 1HA GLY 71 1HA GLY 71 -8.450 -4.976 -0.716 531 2HA GLY 71 2HA GLY 71 -8.377 -3.294 -0.187 532 H GLU 72 H GLU 72 -11.620 -4.020 -0.762 533 HA GLU 72 HA GLU 72 -12.166 -5.149 1.936 534 1HB GLU 72 1HB GLU 72 -12.129 -2.640 1.968 535 2HB GLU 72 2HB GLU 72 -13.487 -2.643 0.838 536 1HG GLU 72 1HG GLU 72 -14.919 -3.699 2.533 537 2HG GLU 72 2HG GLU 72 -13.528 -3.968 3.588 538 H ASP 73 H ASP 73 -12.563 -5.615 -1.274 539 HA ASP 73 HA ASP 73 -15.024 -7.210 -0.974 540 1HB ASP 73 1HB ASP 73 -15.967 -5.130 -1.722 541 2HB ASP 73 2HB ASP 73 -14.689 -4.895 -2.909 542 H SER 74 H SER 74 -15.144 -8.894 -2.346 543 HA SER 74 HA SER 74 -13.356 -9.378 -4.609 544 1HB SER 74 1HB SER 74 -13.137 -11.023 -2.048 545 2HB SER 74 2HB SER 74 -12.501 -11.555 -3.612 546 HG SER 74 HG SER 74 -11.770 -9.001 -2.787 547 H VAL 75 H VAL 75 -16.361 -9.276 -3.793 548 HA VAL 75 HA VAL 75 -17.351 -11.984 -4.071 549 HB VAL 75 HB VAL 75 -18.759 -9.296 -4.288 550 1HG1 VAL 75 1HG1 VAL 75 -19.978 -12.075 -3.953 551 2HG1 VAL 75 2HG1 VAL 75 -20.848 -10.532 -3.869 552 3HG1 VAL 75 3HG1 VAL 75 -20.134 -11.043 -5.394 553 1HG2 VAL 75 1HG2 VAL 75 -17.791 -9.729 -2.042 554 2HG2 VAL 75 2HG2 VAL 75 -19.551 -9.831 -1.999 555 3HG2 VAL 75 3HG2 VAL 75 -18.581 -11.320 -2.003 556 HA PRO 76 HA PRO 76 -17.169 -11.986 -8.602 557 1HB PRO 76 1HB PRO 76 -18.106 -14.472 -9.129 558 2HB PRO 76 2HB PRO 76 -16.583 -14.214 -8.240 559 1HG PRO 76 1HG PRO 76 -19.334 -14.723 -7.049 560 2HG PRO 76 2HG PRO 76 -17.808 -15.605 -6.713 561 1HD PRO 76 1HD PRO 76 -18.682 -13.546 -5.145 562 2HD PRO 76 2HD PRO 76 -16.944 -13.827 -5.449 563 H ALA 77 H ALA 77 -19.079 -10.278 -7.769 564 HA ALA 77 HA ALA 77 -21.797 -10.888 -8.331 565 1HB ALA 77 1HB ALA 77 -22.079 -8.444 -8.197 566 2HB ALA 77 2HB ALA 77 -21.007 -9.031 -6.913 567 3HB ALA 77 3HB ALA 77 -20.322 -8.220 -8.341 568 H LYS 78 H LYS 78 -19.307 -10.538 -10.612 569 HA LYS 78 HA LYS 78 -20.768 -9.353 -12.836 570 1HB LYS 78 1HB LYS 78 -18.131 -10.884 -12.723 571 2HB LYS 78 2HB LYS 78 -18.758 -10.023 -14.136 572 1HG LYS 78 1HG LYS 78 -18.719 -7.889 -12.866 573 2HG LYS 78 2HG LYS 78 -18.028 -8.737 -11.468 574 1HD LYS 78 1HD LYS 78 -16.071 -9.411 -12.842 575 2HD LYS 78 2HD LYS 78 -16.755 -8.543 -14.235 576 1HE LYS 78 1HE LYS 78 -16.698 -6.424 -12.934 577 2HE LYS 78 2HE LYS 78 -16.016 -7.287 -11.551 578 1HZ LYS 78 1HZ LYS 78 -14.075 -7.824 -12.930 579 2HZ LYS 78 2HZ LYS 78 -14.707 -7.025 -14.208 580 3HZ LYS 78 3HZ LYS 78 -14.280 -6.208 -12.862 581 H LYS 79 H LYS 79 -22.566 -11.010 -12.177 582 HA LYS 79 HA LYS 79 -22.608 -13.172 -14.230 583 1HB LYS 79 1HB LYS 79 -23.436 -14.811 -12.657 584 2HB LYS 79 2HB LYS 79 -21.874 -14.226 -12.114 585 1HG LYS 79 1HG LYS 79 -22.877 -12.838 -10.400 586 2HG LYS 79 2HG LYS 79 -24.506 -13.141 -10.995 587 1HD LYS 79 1HD LYS 79 -22.643 -15.256 -9.848 588 2HD LYS 79 2HD LYS 79 -23.914 -14.444 -8.942 589 1HE LYS 79 1HE LYS 79 -24.381 -16.188 -11.409 590 2HE LYS 79 2HE LYS 79 -24.522 -16.737 -9.743 591 1HZ LYS 79 1HZ LYS 79 -26.208 -14.596 -10.953 592 2HZ LYS 79 2HZ LYS 79 -26.677 -16.124 -10.644 593 3HZ LYS 79 3HZ LYS 79 -26.308 -15.125 -9.406 594 H PHE 80 H PHE 80 -24.812 -14.240 -14.246 595 HA PHE 80 HA PHE 80 -26.815 -12.382 -15.051 596 1HB PHE 80 1HB PHE 80 -28.194 -14.380 -15.351 597 2HB PHE 80 2HB PHE 80 -26.580 -14.635 -15.982 598 HD1 PHE 80 HD1 PHE 80 -25.033 -16.259 -14.922 599 HD2 PHE 80 HD2 PHE 80 -29.001 -15.603 -13.360 600 HE1 PHE 80 HE1 PHE 80 -24.817 -18.289 -13.513 601 HE2 PHE 80 HE2 PHE 80 -28.787 -17.645 -11.965 602 HZ PHE 80 HZ PHE 80 -26.690 -18.986 -12.031 603 H LYS 81 H LYS 81 -28.940 -12.061 -14.221 604 HA LYS 81 HA LYS 81 -29.119 -11.858 -11.262 605 1HB LYS 81 1HB LYS 81 -30.915 -10.833 -13.512 606 2HB LYS 81 2HB LYS 81 -31.185 -10.547 -11.789 607 1HG LYS 81 1HG LYS 81 -29.018 -9.358 -11.623 608 2HG LYS 81 2HG LYS 81 -28.732 -9.623 -13.354 609 1HD LYS 81 1HD LYS 81 -30.789 -8.341 -13.894 610 2HD LYS 81 2HD LYS 81 -31.061 -8.054 -12.161 611 1HE LYS 81 1HE LYS 81 -28.875 -6.887 -12.011 612 2HE LYS 81 2HE LYS 81 -28.585 -7.191 -13.728 613 1HZ LYS 81 1HZ LYS 81 -29.475 -4.962 -13.363 614 2HZ LYS 81 2HZ LYS 81 -30.545 -5.832 -14.235 615 3HZ LYS 81 3HZ LYS 81 -30.817 -5.551 -12.646 616 H ALA 82 H ALA 82 -30.813 -12.730 -10.039 617 HA ALA 82 HA ALA 82 -31.711 -15.358 -10.784 618 1HB ALA 82 1HB ALA 82 -31.201 -14.689 -8.465 619 2HB ALA 82 2HB ALA 82 -32.553 -13.531 -8.489 620 3HB ALA 82 3HB ALA 82 -32.870 -15.275 -8.604 621 H ALA 83 H ALA 83 -33.728 -16.136 -11.369 622 HA ALA 83 HA ALA 83 -35.540 -14.308 -12.735 623 1HB ALA 83 1HB ALA 83 -36.674 -16.410 -13.393 624 2HB ALA 83 2HB ALA 83 -34.927 -16.497 -13.684 625 3HB ALA 83 3HB ALA 83 -35.640 -17.324 -12.278 626 HA PRO 84 HA PRO 84 -38.431 -13.888 -9.332 627 1HB PRO 84 1HB PRO 84 -40.715 -13.107 -10.605 628 2HB PRO 84 2HB PRO 84 -39.256 -12.074 -10.518 629 1HG PRO 84 1HG PRO 84 -40.121 -13.882 -12.798 630 2HG PRO 84 2HG PRO 84 -39.591 -12.172 -12.880 631 1HD PRO 84 1HD PRO 84 -37.893 -14.263 -13.369 632 2HD PRO 84 2HD PRO 84 -37.335 -12.757 -12.581 633 H ALA 85 H ALA 85 -39.991 -15.024 -8.225 634 HA ALA 85 HA ALA 85 -41.577 -17.170 -9.497 635 1HB ALA 85 1HB ALA 85 -40.658 -18.895 -7.993 636 2HB ALA 85 2HB ALA 85 -39.368 -18.195 -8.980 637 3HB ALA 85 3HB ALA 85 -39.544 -17.708 -7.280 638 H GLU 86 H GLU 86 -41.916 -14.553 -7.812 639 HA GLU 86 HA GLU 86 -43.151 -15.407 -5.328 640 1HB GLU 86 1HB GLU 86 -43.184 -12.717 -6.756 641 2HB GLU 86 2HB GLU 86 -43.690 -12.993 -5.091 642 1HG GLU 86 1HG GLU 86 -40.864 -13.328 -6.182 643 2HG GLU 86 2HG GLU 86 -41.458 -12.007 -5.190 644 H ILE 87 H ILE 87 -44.391 -15.689 -8.367 645 HA ILE 87 HA ILE 87 -47.216 -15.632 -7.394 646 HB ILE 87 HB ILE 87 -46.268 -14.506 -10.062 647 1HG1 ILE 87 1HG1 ILE 87 -47.490 -13.100 -7.639 648 2HG1 ILE 87 2HG1 ILE 87 -45.822 -12.952 -8.196 649 1HG2 ILE 87 1HG2 ILE 87 -48.642 -13.965 -10.465 650 2HG2 ILE 87 2HG2 ILE 87 -48.456 -15.688 -10.256 651 3HG2 ILE 87 3HG2 ILE 87 -49.097 -14.708 -8.916 652 1HD1 ILE 87 1HD1 ILE 87 -48.285 -11.910 -9.620 653 2HD1 ILE 87 2HD1 ILE 87 -46.959 -10.995 -8.896 654 3HD1 ILE 87 3HD1 ILE 87 -46.658 -11.967 -10.349 655 H SER 88 H SER 88 -48.258 -17.427 -7.805 656 HA SER 88 HA SER 88 -47.636 -19.182 -10.105 657 1HB SER 88 1HB SER 88 -47.384 -21.179 -8.689 658 2HB SER 88 2HB SER 88 -46.109 -19.990 -8.385 659 HG SER 88 HG SER 88 -46.986 -20.835 -6.434 660 H ASP 89 H ASP 89 -49.905 -17.994 -7.802 661 HA ASP 89 HA ASP 89 -51.937 -19.991 -7.927 662 1HB ASP 89 1HB ASP 89 -53.364 -18.162 -7.012 663 2HB ASP 89 2HB ASP 89 -51.854 -18.400 -6.140 664 H GLY 90 H GLY 90 -51.099 -17.545 -10.276 665 1HA GLY 90 1HA GLY 90 -51.852 -17.309 -12.450 666 2HA GLY 90 2HA GLY 90 -53.082 -18.533 -12.160 667 H GLU 91 H GLU 91 -53.736 -16.353 -9.729 668 HA GLU 91 HA GLU 91 -56.071 -15.278 -11.026 669 1HB GLU 91 1HB GLU 91 -54.663 -14.320 -8.500 670 2HB GLU 91 2HB GLU 91 -56.269 -13.841 -9.038 671 1HG GLU 91 1HG GLU 91 -57.062 -16.173 -8.872 672 2HG GLU 91 2HG GLU 91 -55.464 -16.701 -8.344 673 H ASP 92 H ASP 92 -52.812 -14.108 -10.681 674 HA ASP 92 HA ASP 92 -52.937 -11.394 -11.385 675 1HB ASP 92 1HB ASP 92 -50.983 -12.599 -10.496 676 2HB ASP 92 2HB ASP 92 -50.862 -13.537 -11.982 677 H ARG 93 H ARG 93 -53.640 -14.108 -13.406 678 HA ARG 93 HA ARG 93 -53.695 -12.389 -15.858 679 1HB ARG 93 1HB ARG 93 -52.862 -15.315 -15.716 680 2HB ARG 93 2HB ARG 93 -53.001 -14.336 -17.185 681 1HG ARG 93 1HG ARG 93 -51.252 -12.779 -16.287 682 2HG ARG 93 2HG ARG 93 -51.048 -13.858 -14.892 683 1HD ARG 93 1HD ARG 93 -50.459 -15.714 -16.443 684 2HD ARG 93 2HD ARG 93 -50.554 -14.572 -17.803 685 HE ARG 93 HE ARG 93 -48.821 -13.506 -15.793 686 1HH1 ARG 93 1HH1 ARG 93 -48.765 -16.090 -18.158 687 2HH1 ARG 93 2HH1 ARG 93 -47.026 -16.080 -18.265 688 1HH2 ARG 93 1HH2 ARG 93 -46.612 -13.541 -15.978 689 2HH2 ARG 93 2HH2 ARG 93 -45.842 -14.667 -17.057 690 H SER 94 H SER 94 -55.721 -13.534 -13.747 691 HA SER 94 HA SER 94 -57.821 -14.252 -15.786 692 1HB SER 94 1HB SER 94 -57.452 -15.432 -13.008 693 2HB SER 94 2HB SER 94 -58.869 -15.683 -14.040 694 HG SER 94 HG SER 94 -57.295 -17.371 -14.232 695 H LYS 95 H LYS 95 -57.098 -12.583 -12.727 696 HA LYS 95 HA LYS 95 -59.786 -11.245 -12.758 697 1HB LYS 95 1HB LYS 95 -57.570 -11.423 -10.683 698 2HB LYS 95 2HB LYS 95 -58.975 -10.358 -10.547 699 1HG LYS 95 1HG LYS 95 -60.498 -12.319 -10.752 700 2HG LYS 95 2HG LYS 95 -59.091 -13.399 -10.834 701 1HD LYS 95 1HD LYS 95 -58.379 -12.672 -8.595 702 2HD LYS 95 2HD LYS 95 -59.756 -11.550 -8.507 703 1HE LYS 95 1HE LYS 95 -61.348 -13.394 -8.616 704 2HE LYS 95 2HE LYS 95 -60.048 -14.558 -8.914 705 1HZ LYS 95 1HZ LYS 95 -60.312 -12.987 -6.409 706 2HZ LYS 95 2HZ LYS 95 -60.745 -14.556 -6.579 707 3HZ LYS 95 3HZ LYS 95 -59.173 -14.132 -6.727 708 H CYS 96 H CYS 96 -56.574 -10.766 -13.737 709 HA CYS 96 HA CYS 96 -57.116 -8.054 -14.676 710 1HB CYS 96 1HB CYS 96 -54.989 -7.174 -13.635 711 2HB CYS 96 2HB CYS 96 -56.265 -7.545 -12.477 712 HG CYS 96 HG CYS 96 -53.742 -9.559 -13.323 713 H CYS 97 H CYS 97 -55.214 -7.204 -15.889 714 HA CYS 97 HA CYS 97 -53.684 -9.274 -17.404 715 1HB CYS 97 1HB CYS 97 -55.582 -8.878 -18.779 716 2HB CYS 97 2HB CYS 97 -55.505 -7.131 -18.520 717 HA PRO 98 HA PRO 98 -50.958 -5.855 -16.017 718 1HB PRO 98 1HB PRO 98 -48.560 -7.183 -16.005 719 2HB PRO 98 2HB PRO 98 -49.807 -7.408 -14.741 720 1HG PRO 98 1HG PRO 98 -49.309 -9.133 -17.188 721 2HG PRO 98 2HG PRO 98 -49.504 -9.660 -15.485 722 1HD PRO 98 1HD PRO 98 -51.569 -9.703 -17.260 723 2HD PRO 98 2HD PRO 98 -51.830 -9.287 -15.539 724 H VAL 99 H VAL 99 -50.788 -7.645 -19.036 725 HA VAL 99 HA VAL 99 -48.695 -6.126 -20.316 726 HB VAL 99 HB VAL 99 -51.076 -7.430 -21.685 727 1HG1 VAL 99 1HG1 VAL 99 -48.241 -6.889 -22.677 728 2HG1 VAL 99 2HG1 VAL 99 -49.570 -7.616 -23.602 729 3HG1 VAL 99 3HG1 VAL 99 -49.659 -5.919 -23.121 730 1HG2 VAL 99 1HG2 VAL 99 -50.010 -9.147 -20.298 731 2HG2 VAL 99 2HG2 VAL 99 -49.564 -9.404 -21.986 732 3HG2 VAL 99 3HG2 VAL 99 -48.402 -8.653 -20.873 733 H CYS 100 H CYS 100 -52.217 -5.711 -20.105 734 HA CYS 100 HA CYS 100 -52.117 -3.072 -21.480 735 1HB CYS 100 1HB CYS 100 -54.429 -4.806 -20.520 736 2HB CYS 100 2HB CYS 100 -54.546 -3.323 -21.449 737 H ASN 101 H ASN 101 -52.140 -4.368 -18.369 738 HA ASN 101 HA ASN 101 -52.390 -3.709 -16.269 739 1HB ASN 101 1HB ASN 101 -50.658 -2.066 -16.958 740 2HB ASN 101 2HB ASN 101 -51.928 -0.893 -17.318 741 1HD2 ASN 101 1HD2 ASN 101 -51.075 0.581 -15.730 742 2HD2 ASN 101 2HD2 ASN 101 -51.284 0.253 -14.015 743 H MET 102 H MET 102 -54.574 -4.520 -16.947 744 HA MET 102 HA MET 102 -56.699 -2.624 -16.009 745 1HB MET 102 1HB MET 102 -56.978 -4.590 -18.320 746 2HB MET 102 2HB MET 102 -58.253 -3.558 -17.660 747 1HG MET 102 1HG MET 102 -56.775 -1.562 -18.256 748 2HG MET 102 2HG MET 102 -55.791 -2.690 -19.187 749 1HE MET 102 1HE MET 102 -56.811 -4.180 -21.231 750 2HE MET 102 2HE MET 102 -58.261 -4.670 -20.323 751 3HE MET 102 3HE MET 102 -58.428 -3.912 -21.918 752 H THR 103 H THR 103 -58.727 -3.779 -15.385 753 HA THR 103 HA THR 103 -58.243 -6.423 -14.074 754 HB THR 103 HB THR 103 -59.757 -5.666 -12.274 755 HG1 THR 103 HG1 THR 103 -60.131 -3.442 -12.085 756 1HG2 THR 103 1HG2 THR 103 -57.297 -5.534 -11.973 757 2HG2 THR 103 2HG2 THR 103 -57.310 -3.874 -12.604 758 3HG2 THR 103 3HG2 THR 103 -58.149 -4.264 -11.087 759 H PHE 104 H PHE 104 -60.120 -7.732 -13.706 760 HA PHE 104 HA PHE 104 -62.411 -7.244 -15.566 761 1HB PHE 104 1HB PHE 104 -61.080 -9.931 -15.115 762 2HB PHE 104 2HB PHE 104 -62.334 -9.531 -16.256 763 HD1 PHE 104 HD1 PHE 104 -61.598 -7.474 -17.953 764 HD2 PHE 104 HD2 PHE 104 -58.956 -10.265 -15.998 765 HE1 PHE 104 HE1 PHE 104 -59.904 -7.127 -19.737 766 HE2 PHE 104 HE2 PHE 104 -57.280 -9.937 -17.788 767 HZ PHE 104 HZ PHE 104 -57.745 -8.350 -19.658 768 H SER 105 H SER 105 -64.407 -8.060 -14.975 769 HA SER 105 HA SER 105 -64.887 -8.559 -12.129 770 1HB SER 105 1HB SER 105 -67.268 -8.569 -12.868 771 2HB SER 105 2HB SER 105 -66.384 -7.112 -13.354 772 HG SER 105 HG SER 105 -67.642 -7.990 -15.075 773 H SER 106 H SER 106 -64.301 -10.570 -14.867 774 HA SER 106 HA SER 106 -64.849 -13.035 -13.369 775 1HB SER 106 1HB SER 106 -67.037 -12.727 -14.263 776 2HB SER 106 2HB SER 106 -66.419 -12.145 -15.814 777 HG SER 106 HG SER 106 -67.231 -14.359 -15.771 778 HA PRO 107 HA PRO 107 -61.334 -14.253 -15.882 779 1HB PRO 107 1HB PRO 107 -61.561 -16.996 -15.923 780 2HB PRO 107 2HB PRO 107 -61.033 -16.059 -14.492 781 1HG PRO 107 1HG PRO 107 -63.818 -17.085 -15.107 782 2HG PRO 107 2HG PRO 107 -62.887 -17.250 -13.581 783 1HD PRO 107 1HD PRO 107 -64.734 -15.305 -13.877 784 2HD PRO 107 2HD PRO 107 -63.192 -14.960 -13.044 785 H VAL 108 H VAL 108 -64.628 -15.068 -16.818 786 HA VAL 108 HA VAL 108 -64.078 -16.087 -19.466 787 HB VAL 108 HB VAL 108 -66.519 -14.571 -18.443 788 1HG1 VAL 108 1HG1 VAL 108 -66.500 -14.629 -20.903 789 2HG1 VAL 108 2HG1 VAL 108 -66.171 -16.376 -20.880 790 3HG1 VAL 108 3HG1 VAL 108 -67.720 -15.740 -20.282 791 1HG2 VAL 108 1HG2 VAL 108 -67.520 -16.831 -18.179 792 2HG2 VAL 108 2HG2 VAL 108 -65.965 -17.570 -18.620 793 3HG2 VAL 108 3HG2 VAL 108 -66.122 -16.626 -17.124 794 H VAL 109 H VAL 109 -64.406 -12.799 -18.125 795 HA VAL 109 HA VAL 109 -64.302 -11.390 -20.646 796 HB VAL 109 HB VAL 109 -63.436 -10.383 -17.913 797 1HG1 VAL 109 1HG1 VAL 109 -64.017 -8.159 -18.833 798 2HG1 VAL 109 2HG1 VAL 109 -62.727 -8.913 -19.775 799 3HG1 VAL 109 3HG1 VAL 109 -64.387 -8.901 -20.404 800 1HG2 VAL 109 1HG2 VAL 109 -65.720 -9.429 -17.732 801 2HG2 VAL 109 2HG2 VAL 109 -66.184 -10.262 -19.233 802 3HG2 VAL 109 3HG2 VAL 109 -65.767 -11.190 -17.779 803 H ALA 110 H ALA 110 -61.784 -12.462 -18.313 804 HA ALA 110 HA ALA 110 -59.546 -11.269 -19.618 805 1HB ALA 110 1HB ALA 110 -59.595 -13.862 -18.020 806 2HB ALA 110 2HB ALA 110 -58.214 -12.791 -18.305 807 3HB ALA 110 3HB ALA 110 -59.571 -12.241 -17.306 808 H GLU 111 H GLU 111 -60.960 -14.572 -19.977 809 HA GLU 111 HA GLU 111 -59.183 -15.497 -22.011 810 1HB GLU 111 1HB GLU 111 -62.057 -16.218 -21.321 811 2HB GLU 111 2HB GLU 111 -61.138 -17.062 -22.563 812 1HG GLU 111 1HG GLU 111 -60.198 -16.842 -19.670 813 2HG GLU 111 2HG GLU 111 -61.194 -18.156 -20.279 814 H SER 112 H SER 112 -62.328 -13.758 -22.363 815 HA SER 112 HA SER 112 -62.309 -13.781 -25.250 816 1HB SER 112 1HB SER 112 -63.695 -11.967 -23.242 817 2HB SER 112 2HB SER 112 -63.942 -11.883 -24.999 818 HG SER 112 HG SER 112 -65.501 -13.221 -23.947 819 H HIS 113 H HIS 113 -61.014 -11.467 -22.843 820 HA HIS 113 HA HIS 113 -60.312 -9.381 -24.655 821 1HB HIS 113 1HB HIS 113 -60.480 -8.987 -22.286 822 2HB HIS 113 2HB HIS 113 -59.263 -10.207 -21.924 823 HD1 HIS 113 HD1 HIS 113 -59.459 -6.676 -23.486 824 HD2 HIS 113 HD2 HIS 113 -56.729 -9.520 -22.006 825 HE1 HIS 113 HE1 HIS 113 -57.173 -5.530 -23.427 826 H TYR 114 H TYR 114 -58.320 -12.151 -23.434 827 HA TYR 114 HA TYR 114 -55.941 -11.415 -24.803 828 1HB TYR 114 1HB TYR 114 -56.914 -14.172 -23.982 829 2HB TYR 114 2HB TYR 114 -55.266 -13.781 -24.456 830 HD1 TYR 114 HD1 TYR 114 -54.780 -11.193 -23.031 831 HD2 TYR 114 HD2 TYR 114 -56.688 -14.837 -21.720 832 HE1 TYR 114 HE1 TYR 114 -54.206 -10.649 -20.685 833 HE2 TYR 114 HE2 TYR 114 -56.108 -14.283 -19.368 834 HH TYR 114 HH TYR 114 -55.125 -12.791 -17.980 835 H ILE 115 H ILE 115 -58.796 -12.855 -26.173 836 HA ILE 115 HA ILE 115 -57.338 -13.537 -28.692 837 HB ILE 115 HB ILE 115 -59.108 -14.796 -29.394 838 1HG1 ILE 115 1HG1 ILE 115 -60.607 -14.396 -26.778 839 2HG1 ILE 115 2HG1 ILE 115 -60.943 -13.408 -28.209 840 1HG2 ILE 115 1HG2 ILE 115 -58.446 -15.577 -26.525 841 2HG2 ILE 115 2HG2 ILE 115 -58.870 -16.660 -27.865 842 3HG2 ILE 115 3HG2 ILE 115 -57.350 -15.765 -27.910 843 1HD1 ILE 115 1HD1 ILE 115 -61.279 -15.447 -29.547 844 2HD1 ILE 115 2HD1 ILE 115 -61.105 -16.429 -28.075 845 3HD1 ILE 115 3HD1 ILE 115 -62.461 -15.281 -28.218 846 H GLY 116 H GLY 116 -58.637 -10.820 -27.467 847 1HA GLY 116 1HA GLY 116 -60.007 -9.912 -29.957 848 2HA GLY 116 2HA GLY 116 -60.079 -9.141 -28.376 849 H LYS 117 H LYS 117 -59.476 -7.894 -30.880 850 HA LYS 117 HA LYS 117 -56.747 -7.475 -31.397 851 1HB LYS 117 1HB LYS 117 -58.663 -6.870 -32.880 852 2HB LYS 117 2HB LYS 117 -59.069 -5.538 -31.803 853 1HG LYS 117 1HG LYS 117 -57.910 -4.748 -33.779 854 2HG LYS 117 2HG LYS 117 -56.939 -4.415 -32.349 855 1HD LYS 117 1HD LYS 117 -55.467 -6.315 -32.847 856 2HD LYS 117 2HD LYS 117 -56.478 -6.800 -34.213 857 1HE LYS 117 1HE LYS 117 -55.015 -4.127 -33.983 858 2HE LYS 117 2HE LYS 117 -54.348 -5.553 -34.782 859 1HZ LYS 117 1HZ LYS 117 -56.227 -5.497 -36.334 860 2HZ LYS 117 2HZ LYS 117 -56.830 -4.153 -35.624 861 3HZ LYS 117 3HZ LYS 117 -55.396 -4.098 -36.393 862 H THR 118 H THR 118 -58.678 -5.933 -28.869 863 HA THR 118 HA THR 118 -57.034 -3.713 -28.264 864 HB THR 118 HB THR 118 -58.488 -5.443 -26.228 865 HG1 THR 118 HG1 THR 118 -59.532 -3.319 -27.792 866 1HG2 THR 118 1HG2 THR 118 -57.897 -2.449 -26.300 867 2HG2 THR 118 2HG2 THR 118 -58.898 -3.279 -25.085 868 3HG2 THR 118 3HG2 THR 118 -57.169 -3.638 -25.199 869 H HIS 119 H HIS 119 -56.728 -7.111 -27.087 870 HA HIS 119 HA HIS 119 -54.400 -6.543 -25.436 871 1HB HIS 119 1HB HIS 119 -55.974 -8.467 -25.115 872 2HB HIS 119 2HB HIS 119 -55.327 -9.206 -26.579 873 HD2 HIS 119 HD2 HIS 119 -53.167 -10.655 -26.272 874 HE1 HIS 119 HE1 HIS 119 -52.085 -9.466 -22.322 875 HE2 HIS 119 HE2 HIS 119 -51.535 -11.050 -24.238 876 H ILE 120 H ILE 120 -54.875 -7.834 -28.727 877 HA ILE 120 HA ILE 120 -52.161 -8.415 -29.341 878 HB ILE 120 HB ILE 120 -54.470 -7.722 -31.170 879 1HG1 ILE 120 1HG1 ILE 120 -53.283 -10.375 -30.209 880 2HG1 ILE 120 2HG1 ILE 120 -54.817 -9.688 -29.690 881 1HG2 ILE 120 1HG2 ILE 120 -53.155 -8.805 -32.966 882 2HG2 ILE 120 2HG2 ILE 120 -52.310 -7.398 -32.357 883 3HG2 ILE 120 3HG2 ILE 120 -51.789 -9.019 -31.849 884 1HD1 ILE 120 1HD1 ILE 120 -54.208 -10.747 -32.463 885 2HD1 ILE 120 2HD1 ILE 120 -55.325 -11.396 -31.257 886 3HD1 ILE 120 3HD1 ILE 120 -55.683 -9.841 -32.033 887 H LYS 121 H LYS 121 -54.006 -5.381 -29.785 888 HA LYS 121 HA LYS 121 -51.933 -3.830 -31.029 889 1HB LYS 121 1HB LYS 121 -54.338 -3.192 -30.895 890 2HB LYS 121 2HB LYS 121 -54.183 -2.977 -29.147 891 1HG LYS 121 1HG LYS 121 -52.516 -1.148 -29.533 892 2HG LYS 121 2HG LYS 121 -52.655 -1.412 -31.276 893 1HD LYS 121 1HD LYS 121 -53.972 0.507 -30.690 894 2HD LYS 121 2HD LYS 121 -55.081 -0.796 -31.145 895 1HE LYS 121 1HE LYS 121 -55.501 -1.284 -28.747 896 2HE LYS 121 2HE LYS 121 -54.332 -0.042 -28.278 897 1HZ LYS 121 1HZ LYS 121 -56.853 0.474 -29.773 898 2HZ LYS 121 2HZ LYS 121 -56.609 0.805 -28.193 899 3HZ LYS 121 3HZ LYS 121 -55.773 1.618 -29.331 900 H ASN 122 H ASN 122 -52.700 -4.393 -27.586 901 HA ASN 122 HA ASN 122 -50.616 -2.702 -26.568 902 1HB ASN 122 1HB ASN 122 -52.364 -4.849 -25.371 903 2HB ASN 122 2HB ASN 122 -50.981 -4.231 -24.473 904 1HD2 ASN 122 1HD2 ASN 122 -54.140 -3.312 -25.835 905 2HD2 ASN 122 2HD2 ASN 122 -54.205 -1.794 -24.944 906 H LEU 123 H LEU 123 -50.441 -6.078 -27.730 907 HA LEU 123 HA LEU 123 -47.928 -6.759 -26.560 908 1HB LEU 123 1HB LEU 123 -48.768 -7.451 -29.404 909 2HB LEU 123 2HB LEU 123 -47.603 -8.299 -28.407 910 HG LEU 123 HG LEU 123 -50.593 -8.191 -27.935 911 1HD1 LEU 123 1HD1 LEU 123 -49.941 -9.494 -29.926 912 2HD1 LEU 123 2HD1 LEU 123 -48.827 -10.454 -28.928 913 3HD1 LEU 123 3HD1 LEU 123 -50.581 -10.534 -28.643 914 1HD2 LEU 123 1HD2 LEU 123 -48.487 -9.828 -26.492 915 2HD2 LEU 123 2HD2 LEU 123 -49.455 -8.497 -25.806 916 3HD2 LEU 123 3HD2 LEU 123 -50.254 -9.989 -26.324 917 H ARG 124 H ARG 124 -48.662 -4.988 -29.567 918 HA ARG 124 HA ARG 124 -45.923 -4.471 -30.357 919 1HB ARG 124 1HB ARG 124 -48.490 -2.985 -31.087 920 2HB ARG 124 2HB ARG 124 -46.923 -2.811 -31.882 921 1HG ARG 124 1HG ARG 124 -46.996 -5.211 -32.558 922 2HG ARG 124 2HG ARG 124 -48.570 -5.381 -31.770 923 1HD ARG 124 1HD ARG 124 -48.942 -5.117 -34.115 924 2HD ARG 124 2HD ARG 124 -49.529 -3.675 -33.300 925 HE ARG 124 HE ARG 124 -47.031 -3.937 -34.944 926 1HH1 ARG 124 1HH1 ARG 124 -49.342 -1.733 -33.484 927 2HH1 ARG 124 2HH1 ARG 124 -48.668 -0.355 -34.308 928 1HH2 ARG 124 1HH2 ARG 124 -46.238 -2.140 -35.951 929 2HH2 ARG 124 2HH2 ARG 124 -46.961 -0.585 -35.665 930 H LEU 125 H LEU 125 -48.280 -2.580 -28.462 931 HA LEU 125 HA LEU 125 -46.626 -0.246 -28.162 932 1HB LEU 125 1HB LEU 125 -48.830 -1.328 -26.362 933 2HB LEU 125 2HB LEU 125 -48.104 0.263 -26.210 934 HG LEU 125 HG LEU 125 -49.653 -0.689 -28.657 935 1HD1 LEU 125 1HD1 LEU 125 -51.088 -0.406 -26.662 936 2HD1 LEU 125 2HD1 LEU 125 -50.450 1.235 -26.438 937 3HD1 LEU 125 3HD1 LEU 125 -51.408 0.836 -27.881 938 1HD2 LEU 125 1HD2 LEU 125 -48.553 2.057 -27.931 939 2HD2 LEU 125 2HD2 LEU 125 -48.032 1.031 -29.290 940 3HD2 LEU 125 3HD2 LEU 125 -49.658 1.715 -29.281 941 H ARG 126 H ARG 126 -46.901 -3.180 -26.090 942 HA ARG 126 HA ARG 126 -44.940 -2.219 -24.147 943 1HB ARG 126 1HB ARG 126 -45.964 -5.038 -24.708 944 2HB ARG 126 2HB ARG 126 -44.969 -4.575 -23.332 945 1HG ARG 126 1HG ARG 126 -47.811 -3.647 -23.893 946 2HG ARG 126 2HG ARG 126 -47.295 -4.784 -22.662 947 1HD ARG 126 1HD ARG 126 -46.532 -1.839 -22.738 948 2HD ARG 126 2HD ARG 126 -47.874 -2.516 -21.842 949 HE ARG 126 HE ARG 126 -44.976 -2.899 -21.259 950 1HH1 ARG 126 1HH1 ARG 126 -48.259 -3.559 -20.268 951 2HH1 ARG 126 2HH1 ARG 126 -47.805 -4.065 -18.667 952 1HH2 ARG 126 1HH2 ARG 126 -44.419 -3.553 -19.194 953 2HH2 ARG 126 2HH2 ARG 126 -45.665 -4.024 -18.073 954 H GLU 127 H GLU 127 -44.681 -4.280 -27.042 955 HA GLU 127 HA GLU 127 -41.894 -4.942 -26.656 956 1HB GLU 127 1HB GLU 127 -43.476 -6.217 -28.067 957 2HB GLU 127 2HB GLU 127 -43.569 -4.859 -29.201 958 1HG GLU 127 1HG GLU 127 -41.181 -5.116 -29.736 959 2HG GLU 127 2HG GLU 127 -41.009 -6.362 -28.495 960 H GLN 128 H GLN 128 -43.540 -2.250 -28.294 961 HA GLN 128 HA GLN 128 -41.013 -0.705 -28.452 962 1HB GLN 128 1HB GLN 128 -41.388 -1.899 -30.635 963 2HB GLN 128 2HB GLN 128 -42.983 -1.156 -30.743 964 1HG GLN 128 1HG GLN 128 -41.474 0.060 -32.155 965 2HG GLN 128 2HG GLN 128 -41.908 1.098 -30.803 966 1HE2 GLN 128 1HE2 GLN 128 -39.281 -0.961 -32.153 967 2HE2 GLN 128 2HE2 GLN 128 -38.006 -0.177 -31.229
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