NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
573904 | 2mkf | 19773 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY -4 H1 GLY -4 15.234 -35.246 6.826 2 H2 GLY -4 H2 GLY -4 15.791 -34.358 5.489 3 H3 GLY -4 H3 GLY -4 14.143 -34.745 5.628 4 HA2 GLY -4 HA2 GLY -4 15.430 -33.176 7.754 5 HA3 GLY -4 HA3 GLY -4 14.967 -32.377 6.251 6 HA PRO -3 HA PRO -3 11.335 -32.362 9.246 7 HB2 PRO -3 HB2 PRO -3 11.049 -29.770 7.747 8 HB3 PRO -3 HB3 PRO -3 10.810 -30.103 9.476 9 HG2 PRO -3 HG2 PRO -3 12.991 -28.868 8.678 10 HG3 PRO -3 HG3 PRO -3 13.100 -30.142 9.911 11 HD2 PRO -3 HD2 PRO -3 13.780 -30.294 6.982 12 HD3 PRO -3 HD3 PRO -3 14.647 -30.989 8.374 13 H LEU -2 H LEU -2 11.575 -31.476 5.812 14 HA LEU -2 HA LEU -2 9.280 -33.176 5.190 15 HB2 LEU -2 HB2 LEU -2 8.248 -30.989 5.616 16 HB3 LEU -2 HB3 LEU -2 9.353 -30.230 4.474 17 HG LEU -2 HG LEU -2 8.423 -31.624 2.654 18 HD11 LEU -2 HD11 LEU -2 6.847 -32.792 4.937 19 HD12 LEU -2 HD12 LEU -2 7.647 -33.616 3.599 20 HD13 LEU -2 HD13 LEU -2 6.137 -32.757 3.324 21 HD21 LEU -2 HD21 LEU -2 6.125 -30.585 2.651 22 HD22 LEU -2 HD22 LEU -2 7.432 -29.447 2.985 23 HD23 LEU -2 HD23 LEU -2 6.429 -30.052 4.304 24 H GLY -1 H GLY -1 11.319 -30.665 3.660 25 HA2 GLY -1 HA2 GLY -1 13.103 -31.987 2.197 26 HA3 GLY -1 HA3 GLY -1 11.641 -32.343 1.281 27 H SER 0 H SER 0 14.062 -30.017 1.972 28 HA SER 0 HA SER 0 12.724 -27.691 1.016 29 HB2 SER 0 HB2 SER 0 14.929 -26.672 0.983 30 HB3 SER 0 HB3 SER 0 14.752 -27.628 2.450 31 HG SER 0 HG SER 0 16.304 -28.079 0.171 32 H ARG 74 H ARG 74 13.909 -30.441 -0.523 33 HA ARG 74 HA ARG 74 14.785 -29.330 -2.987 34 HB2 ARG 74 HB2 ARG 74 13.660 -32.075 -2.377 35 HB3 ARG 74 HB3 ARG 74 14.519 -31.629 -3.849 36 HG2 ARG 74 HG2 ARG 74 15.748 -31.332 -1.098 37 HG3 ARG 74 HG3 ARG 74 15.906 -32.805 -2.050 38 HD2 ARG 74 HD2 ARG 74 16.869 -31.399 -3.912 39 HD3 ARG 74 HD3 ARG 74 16.883 -30.037 -2.800 40 HE ARG 74 HE ARG 74 18.199 -32.219 -1.590 41 HH11 ARG 74 HH21 ARG 74 18.486 -29.916 -4.149 42 HH12 ARG 74 HH22 ARG 74 20.218 -29.886 -4.122 43 HH21 ARG 74 HH11 ARG 74 20.476 -32.188 -1.537 44 HH22 ARG 74 HH12 ARG 74 21.346 -31.175 -2.642 45 H LYS 75 H LYS 75 11.627 -30.144 -1.699 46 HA LYS 75 HA LYS 75 10.379 -29.713 -4.325 47 HB2 LYS 75 HB2 LYS 75 8.272 -30.356 -3.039 48 HB3 LYS 75 HB3 LYS 75 9.490 -31.617 -3.232 49 HG2 LYS 75 HG2 LYS 75 10.324 -31.278 -1.011 50 HG3 LYS 75 HG3 LYS 75 9.363 -29.815 -0.806 51 HD2 LYS 75 HD2 LYS 75 8.159 -31.481 0.366 52 HD3 LYS 75 HD3 LYS 75 7.306 -31.334 -1.164 53 HE2 LYS 75 HE2 LYS 75 8.438 -33.304 -2.040 54 HE3 LYS 75 HE3 LYS 75 9.443 -33.409 -0.594 55 HZ1 LYS 75 HZ1 LYS 75 7.630 -34.940 -0.418 56 HZ2 LYS 75 HZ2 LYS 75 6.495 -33.715 -0.733 57 HZ3 LYS 75 HZ3 LYS 75 7.395 -33.696 0.708 58 H ILE 76 H ILE 76 11.307 -27.947 -1.717 59 HA ILE 76 HA ILE 76 9.059 -26.079 -1.712 60 HB ILE 76 HB ILE 76 11.713 -25.980 -0.260 61 HG12 ILE 76 HG12 ILE 76 8.922 -26.585 0.767 62 HG13 ILE 76 HG13 ILE 76 10.112 -27.822 0.380 63 HG21 ILE 76 HG21 ILE 76 9.244 -24.225 -0.166 64 HG22 ILE 76 HG22 ILE 76 10.900 -23.732 -0.520 65 HG23 ILE 76 HG23 ILE 76 10.461 -24.237 1.111 66 HD11 ILE 76 HD11 ILE 76 11.485 -26.029 2.071 67 HD12 ILE 76 HD12 ILE 76 10.863 -27.619 2.501 68 HD13 ILE 76 HD13 ILE 76 9.874 -26.190 2.775 69 H ALA 77 H ALA 77 8.900 -24.406 -3.045 70 HA ALA 77 HA ALA 77 10.914 -23.814 -4.971 71 HB1 ALA 77 HB1 ALA 77 8.532 -22.121 -4.177 72 HB2 ALA 77 HB2 ALA 77 8.462 -23.461 -5.322 73 HB3 ALA 77 HB3 ALA 77 9.432 -22.036 -5.692 74 H GLN 78 H GLN 78 12.539 -22.365 -4.922 75 HA GLN 78 HA GLN 78 13.089 -20.985 -2.421 76 HB2 GLN 78 HB2 GLN 78 14.626 -21.261 -5.009 77 HB3 GLN 78 HB3 GLN 78 15.197 -20.311 -3.637 78 HG2 GLN 78 HG2 GLN 78 15.217 -22.257 -2.208 79 HG3 GLN 78 HG3 GLN 78 14.429 -23.234 -3.446 80 HE21 GLN 78 HE21 GLN 78 17.139 -23.622 -2.178 81 HE22 GLN 78 HE22 GLN 78 18.236 -23.634 -3.474 82 H MET 79 H MET 79 13.318 -18.750 -2.179 83 HA MET 79 HA MET 79 11.558 -17.172 -3.836 84 HB2 MET 79 HB2 MET 79 13.381 -16.202 -1.627 85 HB3 MET 79 HB3 MET 79 11.939 -15.406 -2.256 86 HG2 MET 79 HG2 MET 79 11.125 -16.429 -0.310 87 HG3 MET 79 HG3 MET 79 10.720 -17.621 -1.544 88 HE1 MET 79 HE1 MET 79 10.808 -19.841 0.544 89 HE2 MET 79 HE2 MET 79 10.526 -18.199 1.115 90 HE3 MET 79 HE3 MET 79 11.730 -19.208 1.913 91 H THR 80 H THR 80 12.090 -15.515 -5.217 92 HA THR 80 HA THR 80 14.719 -15.663 -6.424 93 HB THR 80 HB THR 80 13.822 -14.137 -8.087 94 HG1 THR 80 HG1 THR 80 11.404 -14.061 -6.662 95 HG21 THR 80 HG21 THR 80 13.176 -16.576 -8.097 96 HG22 THR 80 HG22 THR 80 12.031 -15.518 -8.923 97 HG23 THR 80 HG23 THR 80 11.669 -16.117 -7.304 98 H GLU 82 H GLU 82 15.836 -13.552 -6.999 99 HA GLU 82 HA GLU 82 16.677 -12.265 -4.644 100 HB2 GLU 82 HB2 GLU 82 16.938 -11.491 -7.557 101 HB3 GLU 82 HB3 GLU 82 17.722 -10.608 -6.247 102 HG2 GLU 82 HG2 GLU 82 18.946 -12.596 -5.569 103 HG3 GLU 82 HG3 GLU 82 18.077 -13.576 -6.749 104 H GLU 83 H GLU 83 14.321 -11.327 -7.121 105 HA GLU 83 HA GLU 83 13.808 -8.717 -6.151 106 HB2 GLU 83 HB2 GLU 83 12.107 -10.638 -7.750 107 HB3 GLU 83 HB3 GLU 83 11.636 -8.972 -7.406 108 HG2 GLU 83 HG2 GLU 83 14.253 -9.719 -8.734 109 HG3 GLU 83 HG3 GLU 83 12.794 -9.302 -9.633 110 H GLN 84 H GLN 84 12.384 -11.872 -5.399 111 HA GLN 84 HA GLN 84 10.274 -10.934 -3.773 112 HB2 GLN 84 HB2 GLN 84 11.761 -13.560 -3.839 113 HB3 GLN 84 HB3 GLN 84 10.382 -13.268 -2.781 114 HG2 GLN 84 HG2 GLN 84 10.308 -12.891 -5.785 115 HG3 GLN 84 HG3 GLN 84 9.773 -14.358 -4.969 116 HE21 GLN 84 HE21 GLN 84 8.093 -13.839 -3.091 117 HE22 GLN 84 HE22 GLN 84 6.907 -12.687 -3.480 118 H PHE 85 H PHE 85 13.628 -11.768 -3.059 119 HA PHE 85 HA PHE 85 13.459 -11.617 -0.247 120 HB2 PHE 85 HB2 PHE 85 15.373 -12.586 -1.529 121 HB3 PHE 85 HB3 PHE 85 15.854 -10.947 -1.971 122 HD1 PHE 85 HD1 PHE 85 15.000 -13.026 1.021 123 HD2 PHE 85 HD2 PHE 85 17.302 -9.754 -0.544 124 HE1 PHE 85 HE1 PHE 85 16.171 -12.812 3.195 125 HE2 PHE 85 HE2 PHE 85 18.473 -9.540 1.632 126 HZ PHE 85 HZ PHE 85 17.906 -11.069 3.501 127 H ALA 86 H ALA 86 14.191 -9.155 -2.703 128 HA ALA 86 HA ALA 86 14.800 -7.037 -0.948 129 HB1 ALA 86 HB1 ALA 86 13.553 -6.947 -3.706 130 HB2 ALA 86 HB2 ALA 86 15.278 -6.920 -3.343 131 HB3 ALA 86 HB3 ALA 86 14.255 -5.567 -2.861 132 H LEU 87 H LEU 87 11.707 -8.139 -2.302 133 HA LEU 87 HA LEU 87 10.129 -6.018 -1.271 134 HB2 LEU 87 HB2 LEU 87 9.612 -8.727 -2.412 135 HB3 LEU 87 HB3 LEU 87 8.325 -8.048 -1.420 136 HG LEU 87 HG LEU 87 8.414 -5.971 -2.833 137 HD11 LEU 87 HD11 LEU 87 10.782 -6.420 -3.637 138 HD12 LEU 87 HD12 LEU 87 9.637 -5.969 -4.899 139 HD13 LEU 87 HD13 LEU 87 10.104 -7.656 -4.696 140 HD21 LEU 87 HD21 LEU 87 7.846 -8.642 -4.143 141 HD22 LEU 87 HD22 LEU 87 7.382 -7.096 -4.854 142 HD23 LEU 87 HD23 LEU 87 6.704 -7.592 -3.304 143 H ALA 88 H ALA 88 11.128 -9.133 0.064 144 HA ALA 88 HA ALA 88 9.473 -9.155 2.337 145 HB1 ALA 88 HB1 ALA 88 10.915 -11.056 1.491 146 HB2 ALA 88 HB2 ALA 88 10.979 -10.793 3.234 147 HB3 ALA 88 HB3 ALA 88 12.297 -10.229 2.207 148 H LEU 89 H LEU 89 12.657 -7.714 1.775 149 HA LEU 89 HA LEU 89 13.130 -6.853 4.430 150 HB2 LEU 89 HB2 LEU 89 14.121 -5.822 1.768 151 HB3 LEU 89 HB3 LEU 89 14.704 -5.222 3.317 152 HG LEU 89 HG LEU 89 14.775 -8.146 2.508 153 HD11 LEU 89 HD11 LEU 89 16.821 -5.937 2.238 154 HD12 LEU 89 HD12 LEU 89 16.254 -7.059 1.001 155 HD13 LEU 89 HD13 LEU 89 17.290 -7.635 2.307 156 HD21 LEU 89 HD21 LEU 89 16.659 -7.959 4.389 157 HD22 LEU 89 HD22 LEU 89 14.972 -8.164 4.834 158 HD23 LEU 89 HD23 LEU 89 15.707 -6.565 4.899 159 H LYS 90 H LYS 90 11.522 -5.324 1.674 160 HA LYS 90 HA LYS 90 11.152 -2.772 2.829 161 HB2 LYS 90 HB2 LYS 90 9.640 -4.289 0.698 162 HB3 LYS 90 HB3 LYS 90 9.241 -2.635 1.151 163 HG2 LYS 90 HG2 LYS 90 12.104 -3.305 0.486 164 HG3 LYS 90 HG3 LYS 90 10.953 -3.113 -0.833 165 HD2 LYS 90 HD2 LYS 90 11.091 -1.004 1.319 166 HD3 LYS 90 HD3 LYS 90 12.302 -1.016 0.042 167 HE2 LYS 90 HE2 LYS 90 10.539 -0.894 -1.663 168 HE3 LYS 90 HE3 LYS 90 9.299 -0.941 -0.413 169 HZ1 LYS 90 HZ1 LYS 90 10.054 1.318 -1.348 170 HZ2 LYS 90 HZ2 LYS 90 11.403 1.117 -0.334 171 HZ3 LYS 90 HZ3 LYS 90 9.838 1.157 0.326 172 H MET 91 H MET 91 9.191 -5.716 2.910 173 HA MET 91 HA MET 91 6.932 -4.610 4.201 174 HB2 MET 91 HB2 MET 91 8.043 -7.420 4.128 175 HB3 MET 91 HB3 MET 91 6.503 -7.005 4.879 176 HG2 MET 91 HG2 MET 91 5.629 -6.175 2.779 177 HG3 MET 91 HG3 MET 91 7.201 -6.359 2.004 178 HE1 MET 91 HE1 MET 91 5.321 -8.999 4.520 179 HE2 MET 91 HE2 MET 91 4.199 -9.536 3.274 180 HE3 MET 91 HE3 MET 91 4.274 -7.830 3.702 181 H SER 92 H SER 92 9.902 -6.083 5.447 182 HA SER 92 HA SER 92 9.151 -6.093 8.179 183 HB2 SER 92 HB2 SER 92 11.532 -6.379 8.634 184 HB3 SER 92 HB3 SER 92 11.057 -7.388 7.271 185 HG SER 92 HG SER 92 12.377 -6.291 6.069 186 H GLU 93 H GLU 93 10.691 -3.671 6.119 187 HA GLU 93 HA GLU 93 11.422 -1.851 8.153 188 HB2 GLU 93 HB2 GLU 93 10.778 -1.466 5.226 189 HB3 GLU 93 HB3 GLU 93 11.355 -0.163 6.264 190 HG2 GLU 93 HG2 GLU 93 13.406 -1.343 6.727 191 HG3 GLU 93 HG3 GLU 93 12.815 -2.794 5.924 192 H GLN 94 H GLN 94 8.441 -2.255 6.285 193 HA GLN 94 HA GLN 94 7.142 0.088 7.218 194 HB2 GLN 94 HB2 GLN 94 6.072 -2.517 6.122 195 HB3 GLN 94 HB3 GLN 94 5.053 -1.126 6.492 196 HG2 GLN 94 HG2 GLN 94 6.390 0.264 4.948 197 HG3 GLN 94 HG3 GLN 94 7.395 -1.134 4.566 198 HE21 GLN 94 HE21 GLN 94 6.796 -1.700 2.455 199 HE22 GLN 94 HE22 GLN 94 5.195 -1.946 1.948 200 H GLU 95 H GLU 95 7.289 -3.227 8.420 201 HA GLU 95 HA GLU 95 5.501 -2.598 10.660 202 HB2 GLU 95 HB2 GLU 95 6.879 -5.180 9.882 203 HB3 GLU 95 HB3 GLU 95 5.705 -4.995 11.184 204 HG2 GLU 95 HG2 GLU 95 5.144 -4.328 8.281 205 HG3 GLU 95 HG3 GLU 95 4.696 -5.849 9.052 206 H ALA 96 H ALA 96 8.645 -2.059 10.019 207 HA ALA 96 HA ALA 96 10.408 -1.450 11.359 208 HB1 ALA 96 HB1 ALA 96 10.044 -0.931 13.601 209 HB2 ALA 96 HB2 ALA 96 8.921 -2.270 13.841 210 HB3 ALA 96 HB3 ALA 96 8.410 -0.835 12.950 211 H ARG 97 H ARG 97 8.705 -4.425 12.193 212 HA ARG 97 HA ARG 97 11.021 -6.017 11.800 213 HB2 ARG 97 HB2 ARG 97 11.250 -4.846 14.177 214 HB3 ARG 97 HB3 ARG 97 10.155 -6.133 14.676 215 HG2 ARG 97 HG2 ARG 97 12.837 -6.489 13.298 216 HG3 ARG 97 HG3 ARG 97 12.470 -6.862 14.983 217 HD2 ARG 97 HD2 ARG 97 10.653 -8.431 14.065 218 HD3 ARG 97 HD3 ARG 97 11.438 -8.241 12.500 219 HE ARG 97 HE ARG 97 13.336 -8.959 14.507 220 HH11 ARG 97 HH21 ARG 97 10.766 -10.159 12.528 221 HH12 ARG 97 HH22 ARG 97 11.364 -11.785 12.494 222 HH21 ARG 97 HH11 ARG 97 14.128 -11.088 14.470 223 HH22 ARG 97 HH12 ARG 97 13.268 -12.310 13.595 224 H GLU 98 H GLU 98 8.236 -6.183 14.038 225 HA GLU 98 HA GLU 98 6.932 -8.162 12.330 226 HB2 GLU 98 HB2 GLU 98 8.525 -9.441 13.794 227 HB3 GLU 98 HB3 GLU 98 7.647 -8.830 15.194 228 HG2 GLU 98 HG2 GLU 98 6.783 -11.030 14.650 229 HG3 GLU 98 HG3 GLU 98 5.552 -9.835 14.250 230 H VAL 99 H VAL 99 6.883 -6.685 15.582 231 HA VAL 99 HA VAL 99 3.977 -6.693 15.636 232 HB VAL 99 HB VAL 99 5.693 -5.189 17.597 233 HG11 VAL 99 HG11 VAL 99 3.277 -6.962 18.035 234 HG12 VAL 99 HG12 VAL 99 3.145 -5.245 17.658 235 HG13 VAL 99 HG13 VAL 99 3.952 -5.761 19.138 236 HG21 VAL 99 HG21 VAL 99 5.427 -8.192 17.296 237 HG22 VAL 99 HG22 VAL 99 5.820 -7.442 18.843 238 HG23 VAL 99 HG23 VAL 99 6.904 -7.242 17.466 239 H ASN 100 H ASN 100 2.666 -4.851 15.675 240 HA ASN 100 HA ASN 100 3.590 -2.686 14.018 241 HB2 ASN 100 HB2 ASN 100 1.261 -3.606 13.957 242 HB3 ASN 100 HB3 ASN 100 0.997 -2.918 15.558 243 HD21 ASN 100 HD21 ASN 100 -0.527 -2.073 13.275 244 HD22 ASN 100 HD22 ASN 100 -0.124 -0.458 12.943 245 H SER 101 H SER 101 4.552 -0.903 14.690 246 HA SER 101 HA SER 101 5.166 -0.340 17.384 247 HB2 SER 101 HB2 SER 101 6.047 1.775 16.547 248 HB3 SER 101 HB3 SER 101 6.496 0.471 15.452 249 HG SER 101 HG SER 101 4.696 1.076 14.159 250 H GLN 102 H GLN 102 2.433 0.425 15.417 251 HA GLN 102 HA GLN 102 1.473 2.707 16.772 252 HB2 GLN 102 HB2 GLN 102 0.047 0.534 15.222 253 HB3 GLN 102 HB3 GLN 102 -0.765 1.970 15.845 254 HG2 GLN 102 HG2 GLN 102 1.630 2.034 13.986 255 HG3 GLN 102 HG3 GLN 102 -0.042 2.203 13.457 256 HE21 GLN 102 HE21 GLN 102 2.491 4.128 13.801 257 HE22 GLN 102 HE22 GLN 102 1.777 5.517 14.464 258 H GLU 103 H GLU 103 1.063 -0.758 17.351 259 HA GLU 103 HA GLU 103 -0.904 -0.571 19.363 260 HB2 GLU 103 HB2 GLU 103 -0.217 -2.676 18.187 261 HB3 GLU 103 HB3 GLU 103 1.278 -2.659 19.119 262 HG2 GLU 103 HG2 GLU 103 -1.419 -2.541 20.482 263 HG3 GLU 103 HG3 GLU 103 -0.693 -4.078 20.028 264 H GLU 104 H GLU 104 2.638 -0.498 19.493 265 HA GLU 104 HA GLU 104 2.881 -0.504 22.314 266 HB2 GLU 104 HB2 GLU 104 4.689 0.548 20.132 267 HB3 GLU 104 HB3 GLU 104 5.140 0.526 21.837 268 HG2 GLU 104 HG2 GLU 104 4.890 -1.886 21.930 269 HG3 GLU 104 HG3 GLU 104 4.263 -1.921 20.282 270 H GLU 105 H GLU 105 2.560 2.107 19.945 271 HA GLU 105 HA GLU 105 2.960 4.258 21.736 272 HB2 GLU 105 HB2 GLU 105 1.468 4.059 19.116 273 HB3 GLU 105 HB3 GLU 105 1.690 5.577 19.990 274 HG2 GLU 105 HG2 GLU 105 4.098 5.379 19.850 275 HG3 GLU 105 HG3 GLU 105 3.969 3.761 19.162 276 H GLU 106 H GLU 106 0.065 2.474 20.756 277 HA GLU 106 HA GLU 106 -1.844 4.119 22.020 278 HB2 GLU 106 HB2 GLU 106 -2.416 2.361 20.374 279 HB3 GLU 106 HB3 GLU 106 -1.960 1.129 21.551 280 HG2 GLU 106 HG2 GLU 106 -3.696 1.916 23.093 281 HG3 GLU 106 HG3 GLU 106 -4.122 3.213 21.978 282 H GLU 107 H GLU 107 0.000 1.320 23.193 283 HA GLU 107 HA GLU 107 -1.259 1.095 25.707 284 HB2 GLU 107 HB2 GLU 107 1.513 0.359 24.757 285 HB3 GLU 107 HB3 GLU 107 0.928 -0.012 26.379 286 HG2 GLU 107 HG2 GLU 107 -0.521 -0.845 23.854 287 HG3 GLU 107 HG3 GLU 107 0.628 -1.880 24.698 288 H GLU 108 H GLU 108 1.549 2.981 24.636 289 HA GLU 108 HA GLU 108 2.278 3.977 27.184 290 HB2 GLU 108 HB2 GLU 108 3.763 4.074 25.214 291 HB3 GLU 108 HB3 GLU 108 2.681 5.247 24.465 292 HG2 GLU 108 HG2 GLU 108 3.069 6.826 26.290 293 HG3 GLU 108 HG3 GLU 108 4.068 5.643 27.133 294 H LEU 109 H LEU 109 0.124 5.210 24.665 295 HA LEU 109 HA LEU 109 -0.484 7.680 25.880 296 HB2 LEU 109 HB2 LEU 109 -2.022 5.956 23.934 297 HB3 LEU 109 HB3 LEU 109 -2.558 7.558 24.431 298 HG LEU 109 HG LEU 109 0.176 7.012 23.230 299 HD11 LEU 109 HD11 LEU 109 -2.366 7.985 21.891 300 HD12 LEU 109 HD12 LEU 109 -1.577 6.433 21.609 301 HD13 LEU 109 HD13 LEU 109 -0.777 7.931 21.131 302 HD21 LEU 109 HD21 LEU 109 -0.232 9.582 22.693 303 HD22 LEU 109 HD22 LEU 109 0.340 9.102 24.283 304 HD23 LEU 109 HD23 LEU 109 -1.363 9.480 24.042 305 H LEU 110 H LEU 110 -1.920 4.463 26.215 306 HA LEU 110 HA LEU 110 -4.188 5.207 27.706 307 HB2 LEU 110 HB2 LEU 110 -3.938 2.976 26.729 308 HB3 LEU 110 HB3 LEU 110 -2.572 2.645 27.790 309 HG LEU 110 HG LEU 110 -4.050 2.859 29.764 310 HD11 LEU 110 HD11 LEU 110 -5.758 4.360 29.185 311 HD12 LEU 110 HD12 LEU 110 -6.603 2.814 29.134 312 HD13 LEU 110 HD13 LEU 110 -6.063 3.576 27.636 313 HD21 LEU 110 HD21 LEU 110 -5.364 0.812 29.370 314 HD22 LEU 110 HD22 LEU 110 -3.744 0.662 28.690 315 HD23 LEU 110 HD23 LEU 110 -5.119 0.986 27.633 316 H ARG 111 H ARG 111 -0.916 4.254 28.755 317 HA ARG 111 HA ARG 111 -1.464 4.473 31.538 318 HB2 ARG 111 HB2 ARG 111 0.984 4.218 29.842 319 HB3 ARG 111 HB3 ARG 111 1.213 4.826 31.480 320 HG2 ARG 111 HG2 ARG 111 1.436 2.388 31.455 321 HG3 ARG 111 HG3 ARG 111 0.001 2.850 32.367 322 HD2 ARG 111 HD2 ARG 111 -1.420 2.374 30.435 323 HD3 ARG 111 HD3 ARG 111 -0.004 2.001 29.458 324 HE ARG 111 HE ARG 111 -1.206 0.302 31.490 325 HH11 ARG 111 HH21 ARG 111 1.541 1.031 29.515 326 HH12 ARG 111 HH22 ARG 111 2.217 -0.560 29.631 327 HH21 ARG 111 HH11 ARG 111 -0.326 -1.780 31.648 328 HH22 ARG 111 HH12 ARG 111 1.160 -2.151 30.840 329 H LYS 112 H LYS 112 -0.186 6.757 29.150 330 HA LYS 112 HA LYS 112 0.487 8.812 30.956 331 HB2 LYS 112 HB2 LYS 112 1.224 8.774 28.600 332 HB3 LYS 112 HB3 LYS 112 -0.437 9.060 28.084 333 HG2 LYS 112 HG2 LYS 112 -0.467 11.203 29.280 334 HG3 LYS 112 HG3 LYS 112 1.169 10.910 29.873 335 HD2 LYS 112 HD2 LYS 112 2.025 10.907 27.578 336 HD3 LYS 112 HD3 LYS 112 0.391 11.134 26.951 337 HE2 LYS 112 HE2 LYS 112 1.567 13.287 27.034 338 HE3 LYS 112 HE3 LYS 112 0.232 13.279 28.187 339 HZ1 LYS 112 HZ1 LYS 112 1.700 12.922 29.969 340 HZ2 LYS 112 HZ2 LYS 112 2.421 14.142 29.032 341 HZ3 LYS 112 HZ3 LYS 112 3.000 12.547 28.945 342 H ALA 113 H ALA 113 -2.535 8.091 29.234 343 HA ALA 113 HA ALA 113 -3.959 10.390 30.019 344 HB1 ALA 113 HB1 ALA 113 -5.001 7.607 29.435 345 HB2 ALA 113 HB2 ALA 113 -4.743 8.884 28.246 346 HB3 ALA 113 HB3 ALA 113 -5.977 9.074 29.493 347 H ILE 114 H ILE 114 -3.602 7.212 31.574 348 HA ILE 114 HA ILE 114 -5.433 7.658 33.683 349 HB ILE 114 HB ILE 114 -2.998 5.870 33.495 350 HG12 ILE 114 HG12 ILE 114 -5.949 5.190 33.404 351 HG13 ILE 114 HG13 ILE 114 -4.991 5.501 31.955 352 HG21 ILE 114 HG21 ILE 114 -3.389 6.193 35.840 353 HG22 ILE 114 HG22 ILE 114 -4.167 4.666 35.425 354 HG23 ILE 114 HG23 ILE 114 -5.137 6.125 35.624 355 HD11 ILE 114 HD11 ILE 114 -5.037 3.103 32.355 356 HD12 ILE 114 HD12 ILE 114 -4.496 3.335 34.017 357 HD13 ILE 114 HD13 ILE 114 -3.409 3.700 32.678 358 H ALA 115 H ALA 115 -1.919 8.167 33.457 359 HA ALA 115 HA ALA 115 -1.520 9.038 36.106 360 HB1 ALA 115 HB1 ALA 115 0.252 8.396 34.394 361 HB2 ALA 115 HB2 ALA 115 0.605 9.821 35.373 362 HB3 ALA 115 HB3 ALA 115 0.043 10.009 33.712 363 H GLU 116 H GLU 116 -2.363 10.806 33.153 364 HA GLU 116 HA GLU 116 -2.176 13.405 34.248 365 HB2 GLU 116 HB2 GLU 116 -2.278 12.954 31.822 366 HB3 GLU 116 HB3 GLU 116 -3.950 12.422 32.000 367 HG2 GLU 116 HG2 GLU 116 -4.603 14.637 32.808 368 HG3 GLU 116 HG3 GLU 116 -2.927 15.180 32.737 369 H SER 117 H SER 117 -4.865 11.098 34.027 370 HA SER 117 HA SER 117 -6.876 12.802 35.034 371 HB2 SER 117 HB2 SER 117 -8.119 10.743 35.493 372 HB3 SER 117 HB3 SER 117 -7.343 10.653 33.914 373 HG SER 117 HG SER 117 -7.067 9.018 35.977 374 H LEU 118 H LEU 118 -4.556 10.669 36.634 375 HA LEU 118 HA LEU 118 -5.624 10.957 39.254 376 HB2 LEU 118 HB2 LEU 118 -2.873 10.197 38.259 377 HB3 LEU 118 HB3 LEU 118 -3.342 10.146 39.956 378 HG LEU 118 HG LEU 118 -4.821 8.674 37.752 379 HD11 LEU 118 HD11 LEU 118 -2.440 7.901 38.099 380 HD12 LEU 118 HD12 LEU 118 -3.659 6.673 38.440 381 HD13 LEU 118 HD13 LEU 118 -2.871 7.526 39.768 382 HD21 LEU 118 HD21 LEU 118 -5.095 8.873 40.745 383 HD22 LEU 118 HD22 LEU 118 -5.473 7.335 39.974 384 HD23 LEU 118 HD23 LEU 118 -6.349 8.788 39.510 385 H ASN 119 H ASN 119 -3.214 12.743 37.393 386 HA ASN 119 HA ASN 119 -2.443 14.430 39.596 387 HB2 ASN 119 HB2 ASN 119 -1.951 14.568 36.618 388 HB3 ASN 119 HB3 ASN 119 -1.329 15.766 37.753 389 HD21 ASN 119 HD21 ASN 119 0.400 14.038 36.199 390 HD22 ASN 119 HD22 ASN 119 1.213 13.016 37.284 391 H SER 120 H SER 120 -5.049 14.367 37.384 392 HA SER 120 HA SER 120 -5.572 17.178 37.267 393 HB2 SER 120 HB2 SER 120 -6.476 15.716 35.557 394 HB3 SER 120 HB3 SER 120 -7.357 14.785 36.764 395 HG SER 120 HG SER 120 -8.857 16.250 36.728 396 H CYS 121 H CYS 121 -6.793 18.450 38.569 397 HA CYS 121 HA CYS 121 -7.399 17.484 41.216 398 HB2 CYS 121 HB2 CYS 121 -8.023 19.764 41.703 399 HB3 CYS 121 HB3 CYS 121 -6.552 19.796 40.730 400 HG CYS 121 HG CYS 121 -9.017 21.189 39.944 401 H ARG 122 H ARG 122 -9.542 17.753 42.218 402 HA ARG 122 HA ARG 122 -11.553 16.479 40.661 403 HB2 ARG 122 HB2 ARG 122 -11.497 17.658 43.429 404 HB3 ARG 122 HB3 ARG 122 -12.988 17.024 42.744 405 HG2 ARG 122 HG2 ARG 122 -11.882 15.289 44.068 406 HG3 ARG 122 HG3 ARG 122 -11.867 14.842 42.365 407 HD2 ARG 122 HD2 ARG 122 -9.561 15.491 42.136 408 HD3 ARG 122 HD3 ARG 122 -9.545 16.219 43.741 409 HE ARG 122 HE ARG 122 -9.301 14.080 44.643 410 HH11 ARG 122 HH21 ARG 122 -10.176 13.938 41.294 411 HH12 ARG 122 HH22 ARG 122 -9.890 12.235 41.154 412 HH21 ARG 122 HH11 ARG 122 -8.927 11.853 44.465 413 HH22 ARG 122 HH12 ARG 122 -9.183 11.054 42.949 414 HA PRO 123 HA PRO 123 -13.570 20.015 38.919 415 HB2 PRO 123 HB2 PRO 123 -16.174 19.135 38.776 416 HB3 PRO 123 HB3 PRO 123 -14.892 18.565 37.690 417 HG2 PRO 123 HG2 PRO 123 -16.002 17.268 40.146 418 HG3 PRO 123 HG3 PRO 123 -15.588 16.542 38.581 419 HD2 PRO 123 HD2 PRO 123 -13.938 16.352 40.729 420 HD3 PRO 123 HD3 PRO 123 -13.312 16.456 39.067 421 H SER 124 H SER 124 -14.675 21.861 39.530 422 HA SER 124 HA SER 124 -15.045 22.333 42.302 423 HB2 SER 124 HB2 SER 124 -15.916 23.927 39.883 424 HB3 SER 124 HB3 SER 124 -16.010 24.509 41.543 425 HG SER 124 HG SER 124 -13.708 24.060 41.649 426 H ASP 125 H ASP 125 -16.887 22.494 43.541 427 HA ASP 125 HA ASP 125 -19.196 21.013 42.582 428 HB2 ASP 125 HB2 ASP 125 -18.705 22.357 45.249 429 HB3 ASP 125 HB3 ASP 125 -20.001 21.220 44.881 430 H ALA 126 H ALA 126 -20.917 21.913 41.665 431 HA ALA 126 HA ALA 126 -21.182 24.689 41.236 432 HB1 ALA 126 HB1 ALA 126 -23.279 22.511 41.063 433 HB2 ALA 126 HB2 ALA 126 -22.208 23.022 39.758 434 HB3 ALA 126 HB3 ALA 126 -23.429 24.132 40.384 435 H SER 127 H SER 127 -22.538 22.518 43.661 436 HA SER 127 HA SER 127 -24.283 24.517 44.790 437 HB2 SER 127 HB2 SER 127 -24.812 22.117 44.942 438 HB3 SER 127 HB3 SER 127 -23.364 21.858 45.910 439 HG SER 127 HG SER 127 -24.902 22.176 47.399 440 H ALA 128 H ALA 128 -20.973 23.686 45.092 441 HA ALA 128 HA ALA 128 -19.288 24.756 46.252 442 HB1 ALA 128 HB1 ALA 128 -21.095 26.705 46.227 443 HB2 ALA 128 HB2 ALA 128 -19.666 26.811 47.254 444 HB3 ALA 128 HB3 ALA 128 -21.212 26.316 47.943 445 H THR 129 H THR 129 -21.177 22.474 47.191 446 HA THR 129 HA THR 129 -20.774 22.510 50.079 447 HB THR 129 HB THR 129 -22.841 21.559 49.038 448 HG1 THR 129 HG1 THR 129 -21.875 19.315 50.168 449 HG21 THR 129 HG21 THR 129 -21.504 20.540 47.097 450 HG22 THR 129 HG22 THR 129 -22.776 19.537 47.795 451 HG23 THR 129 HG23 THR 129 -21.089 19.242 48.217 452 H ARG 130 H ARG 130 -19.197 21.481 51.161 453 HA ARG 130 HA ARG 130 -16.913 20.500 49.747 454 HB2 ARG 130 HB2 ARG 130 -17.654 20.458 52.681 455 HB3 ARG 130 HB3 ARG 130 -16.091 19.936 52.051 456 HG2 ARG 130 HG2 ARG 130 -15.874 22.212 50.965 457 HG3 ARG 130 HG3 ARG 130 -17.311 22.701 51.862 458 HD2 ARG 130 HD2 ARG 130 -14.771 21.623 53.113 459 HD3 ARG 130 HD3 ARG 130 -15.208 23.327 53.035 460 HE ARG 130 HE ARG 130 -16.386 21.303 54.774 461 HH11 ARG 130 HH21 ARG 130 -16.604 24.443 53.335 462 HH12 ARG 130 HH22 ARG 130 -17.680 25.071 54.538 463 HH21 ARG 130 HH11 ARG 130 -17.797 22.118 56.353 464 HH22 ARG 130 HH12 ARG 130 -18.355 23.754 56.247 465 H SER 131 H SER 131 -16.178 18.419 49.488 466 HA SER 131 HA SER 131 -16.433 16.171 49.038 467 HB2 SER 131 HB2 SER 131 -17.501 16.357 51.861 468 HB3 SER 131 HB3 SER 131 -17.150 14.837 51.043 469 HG SER 131 HG SER 131 -15.472 16.225 52.391 Start of MODEL 2 1 H1 GLY -4 H1 GLY -4 0.191 -38.831 -2.167 2 H2 GLY -4 H2 GLY -4 0.904 -40.355 -1.932 3 H3 GLY -4 H3 GLY -4 -0.361 -40.169 -3.051 4 HA2 GLY -4 HA2 GLY -4 1.613 -40.298 -4.312 5 HA3 GLY -4 HA3 GLY -4 1.100 -38.610 -4.319 6 HA PRO -3 HA PRO -3 5.470 -39.178 -2.516 7 HB2 PRO -3 HB2 PRO -3 6.917 -38.168 -4.626 8 HB3 PRO -3 HB3 PRO -3 6.517 -39.891 -4.462 9 HG2 PRO -3 HG2 PRO -3 5.180 -37.791 -6.121 10 HG3 PRO -3 HG3 PRO -3 5.580 -39.466 -6.537 11 HD2 PRO -3 HD2 PRO -3 3.065 -38.712 -5.806 12 HD3 PRO -3 HD3 PRO -3 3.714 -40.328 -5.447 13 H LEU -2 H LEU -2 6.644 -37.462 -1.598 14 HA LEU -2 HA LEU -2 6.151 -34.723 -2.439 15 HB2 LEU -2 HB2 LEU -2 5.494 -34.202 0.063 16 HB3 LEU -2 HB3 LEU -2 4.260 -34.748 -1.071 17 HG LEU -2 HG LEU -2 4.519 -37.059 -0.274 18 HD11 LEU -2 HD11 LEU -2 5.929 -37.289 1.904 19 HD12 LEU -2 HD12 LEU -2 6.722 -35.806 1.370 20 HD13 LEU -2 HD13 LEU -2 6.782 -37.252 0.362 21 HD21 LEU -2 HD21 LEU -2 3.591 -36.743 1.972 22 HD22 LEU -2 HD22 LEU -2 2.933 -35.530 0.873 23 HD23 LEU -2 HD23 LEU -2 4.207 -35.091 2.013 24 H GLY -1 H GLY -1 7.259 -33.204 -0.751 25 HA2 GLY -1 HA2 GLY -1 9.282 -34.034 0.952 26 HA3 GLY -1 HA3 GLY -1 10.005 -33.958 -0.653 27 H SER 0 H SER 0 11.249 -32.300 0.787 28 HA SER 0 HA SER 0 10.018 -29.771 1.291 29 HB2 SER 0 HB2 SER 0 12.924 -30.576 1.058 30 HB3 SER 0 HB3 SER 0 12.375 -28.982 1.569 31 HG SER 0 HG SER 0 12.806 -30.608 3.264 32 H ARG 74 H ARG 74 11.239 -31.285 -1.520 33 HA ARG 74 HA ARG 74 12.085 -29.025 -2.998 34 HB2 ARG 74 HB2 ARG 74 11.934 -30.459 -4.941 35 HB3 ARG 74 HB3 ARG 74 12.588 -31.394 -3.597 36 HG2 ARG 74 HG2 ARG 74 10.248 -32.218 -3.135 37 HG3 ARG 74 HG3 ARG 74 9.736 -31.428 -4.626 38 HD2 ARG 74 HD2 ARG 74 11.401 -32.767 -5.886 39 HD3 ARG 74 HD3 ARG 74 11.844 -33.591 -4.394 40 HE ARG 74 HE ARG 74 9.056 -33.828 -4.761 41 HH11 ARG 74 HH21 ARG 74 12.064 -34.844 -6.136 42 HH12 ARG 74 HH22 ARG 74 11.435 -36.334 -6.757 43 HH21 ARG 74 HH11 ARG 74 8.225 -35.781 -5.570 44 HH22 ARG 74 HH12 ARG 74 9.262 -36.864 -6.436 45 H LYS 75 H LYS 75 9.002 -29.964 -1.953 46 HA LYS 75 HA LYS 75 7.548 -28.804 -4.167 47 HB2 LYS 75 HB2 LYS 75 5.597 -29.501 -3.063 48 HB3 LYS 75 HB3 LYS 75 6.777 -30.752 -2.670 49 HG2 LYS 75 HG2 LYS 75 7.286 -29.329 -0.560 50 HG3 LYS 75 HG3 LYS 75 5.780 -28.497 -0.926 51 HD2 LYS 75 HD2 LYS 75 5.988 -31.500 -0.607 52 HD3 LYS 75 HD3 LYS 75 5.532 -30.402 0.696 53 HE2 LYS 75 HE2 LYS 75 3.675 -29.540 -0.763 54 HE3 LYS 75 HE3 LYS 75 4.074 -30.800 -1.929 55 HZ1 LYS 75 HZ1 LYS 75 2.274 -31.360 -0.314 56 HZ2 LYS 75 HZ2 LYS 75 3.459 -31.376 0.904 57 HZ3 LYS 75 HZ3 LYS 75 3.551 -32.473 -0.391 58 H ILE 76 H ILE 76 9.225 -27.555 -1.647 59 HA ILE 76 HA ILE 76 7.423 -25.360 -1.002 60 HB ILE 76 HB ILE 76 10.330 -25.725 -0.229 61 HG12 ILE 76 HG12 ILE 76 8.988 -27.625 0.547 62 HG13 ILE 76 HG13 ILE 76 9.398 -26.589 1.912 63 HG21 ILE 76 HG21 ILE 76 9.652 -23.445 0.106 64 HG22 ILE 76 HG22 ILE 76 9.551 -24.226 1.685 65 HG23 ILE 76 HG23 ILE 76 8.087 -23.943 0.745 66 HD11 ILE 76 HD11 ILE 76 6.748 -26.991 0.560 67 HD12 ILE 76 HD12 ILE 76 7.058 -25.450 1.353 68 HD13 ILE 76 HD13 ILE 76 7.118 -26.950 2.278 69 H ALA 77 H ALA 77 7.289 -23.526 -2.091 70 HA ALA 77 HA ALA 77 8.861 -23.029 -4.406 71 HB1 ALA 77 HB1 ALA 77 6.537 -22.207 -4.113 72 HB2 ALA 77 HB2 ALA 77 7.658 -20.909 -4.523 73 HB3 ALA 77 HB3 ALA 77 7.107 -21.104 -2.859 74 H GLN 78 H GLN 78 10.715 -21.935 -4.667 75 HA GLN 78 HA GLN 78 12.119 -20.976 -2.303 76 HB2 GLN 78 HB2 GLN 78 12.940 -21.162 -5.209 77 HB3 GLN 78 HB3 GLN 78 13.997 -20.635 -3.898 78 HG2 GLN 78 HG2 GLN 78 13.659 -22.800 -2.757 79 HG3 GLN 78 HG3 GLN 78 12.616 -23.329 -4.077 80 HE21 GLN 78 HE21 GLN 78 13.995 -25.017 -4.870 81 HE22 GLN 78 HE22 GLN 78 15.522 -24.706 -5.544 82 H MET 79 H MET 79 12.766 -18.874 -1.915 83 HA MET 79 HA MET 79 11.080 -16.820 -3.010 84 HB2 MET 79 HB2 MET 79 13.414 -16.734 -1.090 85 HB3 MET 79 HB3 MET 79 12.458 -15.320 -1.538 86 HG2 MET 79 HG2 MET 79 10.403 -16.554 -0.780 87 HG3 MET 79 HG3 MET 79 11.454 -17.831 -0.168 88 HE1 MET 79 HE1 MET 79 14.043 -16.015 1.254 89 HE2 MET 79 HE2 MET 79 13.273 -17.598 1.225 90 HE3 MET 79 HE3 MET 79 13.261 -16.647 2.707 91 H THR 80 H THR 80 11.505 -15.437 -4.620 92 HA THR 80 HA THR 80 13.927 -15.775 -6.175 93 HB THR 80 HB THR 80 12.877 -14.266 -7.761 94 HG1 THR 80 HG1 THR 80 10.529 -13.914 -6.527 95 HG21 THR 80 HG21 THR 80 10.742 -16.076 -6.611 96 HG22 THR 80 HG22 THR 80 12.105 -16.669 -7.560 97 HG23 THR 80 HG23 THR 80 10.930 -15.575 -8.291 98 H GLU 82 H GLU 82 15.052 -13.755 -6.976 99 HA GLU 82 HA GLU 82 16.254 -12.403 -4.817 100 HB2 GLU 82 HB2 GLU 82 16.169 -11.784 -7.782 101 HB3 GLU 82 HB3 GLU 82 17.160 -10.886 -6.634 102 HG2 GLU 82 HG2 GLU 82 18.608 -12.554 -7.505 103 HG3 GLU 82 HG3 GLU 82 18.124 -13.167 -5.926 104 H GLU 83 H GLU 83 13.609 -11.508 -6.982 105 HA GLU 83 HA GLU 83 13.354 -8.815 -6.126 106 HB2 GLU 83 HB2 GLU 83 11.348 -10.740 -7.328 107 HB3 GLU 83 HB3 GLU 83 11.030 -9.028 -7.061 108 HG2 GLU 83 HG2 GLU 83 11.767 -9.120 -9.306 109 HG3 GLU 83 HG3 GLU 83 13.195 -8.600 -8.416 110 H GLN 84 H GLN 84 11.902 -11.846 -5.006 111 HA GLN 84 HA GLN 84 10.108 -10.717 -3.140 112 HB2 GLN 84 HB2 GLN 84 11.421 -13.428 -3.288 113 HB3 GLN 84 HB3 GLN 84 10.228 -13.003 -2.060 114 HG2 GLN 84 HG2 GLN 84 8.581 -12.482 -3.788 115 HG3 GLN 84 HG3 GLN 84 9.767 -12.802 -5.049 116 HE21 GLN 84 HE21 GLN 84 7.256 -14.237 -3.298 117 HE22 GLN 84 HE22 GLN 84 7.656 -15.863 -3.580 118 H PHE 85 H PHE 85 13.486 -11.702 -2.893 119 HA PHE 85 HA PHE 85 13.779 -11.481 -0.106 120 HB2 PHE 85 HB2 PHE 85 15.485 -12.535 -1.491 121 HB3 PHE 85 HB3 PHE 85 15.798 -11.005 -2.312 122 HD1 PHE 85 HD1 PHE 85 15.873 -12.664 1.031 123 HD2 PHE 85 HD2 PHE 85 17.293 -9.412 -1.390 124 HE1 PHE 85 HE1 PHE 85 17.480 -12.039 2.813 125 HE2 PHE 85 HE2 PHE 85 18.900 -8.789 0.392 126 HZ PHE 85 HZ PHE 85 18.994 -10.102 2.492 127 H ALA 86 H ALA 86 14.345 -9.078 -2.682 128 HA ALA 86 HA ALA 86 15.155 -6.968 -0.994 129 HB1 ALA 86 HB1 ALA 86 13.732 -6.792 -3.661 130 HB2 ALA 86 HB2 ALA 86 15.472 -6.979 -3.448 131 HB3 ALA 86 HB3 ALA 86 14.670 -5.510 -2.891 132 H LEU 87 H LEU 87 11.964 -7.970 -2.150 133 HA LEU 87 HA LEU 87 10.569 -5.769 -0.977 134 HB2 LEU 87 HB2 LEU 87 9.848 -8.321 -2.333 135 HB3 LEU 87 HB3 LEU 87 8.627 -7.682 -1.236 136 HG LEU 87 HG LEU 87 8.783 -5.485 -2.428 137 HD11 LEU 87 HD11 LEU 87 10.438 -7.043 -4.433 138 HD12 LEU 87 HD12 LEU 87 11.112 -5.873 -3.299 139 HD13 LEU 87 HD13 LEU 87 9.973 -5.347 -4.537 140 HD21 LEU 87 HD21 LEU 87 8.115 -7.944 -4.066 141 HD22 LEU 87 HD22 LEU 87 7.654 -6.302 -4.515 142 HD23 LEU 87 HD23 LEU 87 7.018 -7.023 -3.035 143 H ALA 88 H ALA 88 11.503 -8.962 0.123 144 HA ALA 88 HA ALA 88 9.856 -9.151 2.381 145 HB1 ALA 88 HB1 ALA 88 11.307 -10.976 1.414 146 HB2 ALA 88 HB2 ALA 88 11.401 -10.822 3.169 147 HB3 ALA 88 HB3 ALA 88 12.693 -10.178 2.157 148 H LEU 89 H LEU 89 13.057 -7.673 1.941 149 HA LEU 89 HA LEU 89 13.414 -6.932 4.671 150 HB2 LEU 89 HB2 LEU 89 14.604 -5.859 2.104 151 HB3 LEU 89 HB3 LEU 89 15.130 -5.359 3.711 152 HG LEU 89 HG LEU 89 15.082 -8.245 2.786 153 HD11 LEU 89 HD11 LEU 89 16.664 -6.911 1.428 154 HD12 LEU 89 HD12 LEU 89 17.511 -8.029 2.495 155 HD13 LEU 89 HD13 LEU 89 17.422 -6.320 2.908 156 HD21 LEU 89 HD21 LEU 89 16.866 -8.256 4.763 157 HD22 LEU 89 HD22 LEU 89 15.147 -8.350 5.118 158 HD23 LEU 89 HD23 LEU 89 15.991 -6.812 5.281 159 H LYS 90 H LYS 90 12.153 -5.219 1.840 160 HA LYS 90 HA LYS 90 11.726 -2.737 3.147 161 HB2 LYS 90 HB2 LYS 90 10.483 -3.961 0.680 162 HB3 LYS 90 HB3 LYS 90 10.128 -2.323 1.230 163 HG2 LYS 90 HG2 LYS 90 12.527 -1.755 1.102 164 HG3 LYS 90 HG3 LYS 90 12.885 -3.393 0.550 165 HD2 LYS 90 HD2 LYS 90 11.429 -3.034 -1.425 166 HD3 LYS 90 HD3 LYS 90 11.117 -1.385 -0.880 167 HE2 LYS 90 HE2 LYS 90 13.865 -2.497 -1.515 168 HE3 LYS 90 HE3 LYS 90 12.914 -1.490 -2.605 169 HZ1 LYS 90 HZ1 LYS 90 14.642 -0.610 -0.676 170 HZ2 LYS 90 HZ2 LYS 90 13.106 -0.352 0.003 171 HZ3 LYS 90 HZ3 LYS 90 13.498 0.330 -1.504 172 H MET 91 H MET 91 9.730 -5.609 2.697 173 HA MET 91 HA MET 91 7.309 -4.553 3.684 174 HB2 MET 91 HB2 MET 91 7.489 -6.685 2.426 175 HB3 MET 91 HB3 MET 91 8.291 -7.413 3.817 176 HG2 MET 91 HG2 MET 91 6.321 -7.016 5.207 177 HG3 MET 91 HG3 MET 91 5.520 -6.184 3.875 178 HE1 MET 91 HE1 MET 91 3.673 -9.582 4.499 179 HE2 MET 91 HE2 MET 91 3.322 -7.945 3.953 180 HE3 MET 91 HE3 MET 91 4.225 -8.193 5.445 181 H SER 92 H SER 92 10.042 -6.134 5.290 182 HA SER 92 HA SER 92 8.891 -6.377 7.852 183 HB2 SER 92 HB2 SER 92 11.203 -6.567 8.650 184 HB3 SER 92 HB3 SER 92 10.981 -7.507 7.179 185 HG SER 92 HG SER 92 11.999 -4.857 7.308 186 H GLU 93 H GLU 93 10.681 -3.740 6.295 187 HA GLU 93 HA GLU 93 10.861 -2.066 8.588 188 HB2 GLU 93 HB2 GLU 93 10.919 -1.473 5.629 189 HB3 GLU 93 HB3 GLU 93 11.173 -0.239 6.865 190 HG2 GLU 93 HG2 GLU 93 13.099 -1.406 7.734 191 HG3 GLU 93 HG3 GLU 93 12.783 -2.799 6.699 192 H GLN 94 H GLN 94 8.426 -2.422 6.055 193 HA GLN 94 HA GLN 94 6.837 -0.187 6.749 194 HB2 GLN 94 HB2 GLN 94 6.168 -2.787 5.362 195 HB3 GLN 94 HB3 GLN 94 5.010 -1.470 5.556 196 HG2 GLN 94 HG2 GLN 94 6.521 0.058 4.366 197 HG3 GLN 94 HG3 GLN 94 7.710 -1.231 4.196 198 HE21 GLN 94 HE21 GLN 94 7.644 -1.605 1.942 199 HE22 GLN 94 HE22 GLN 94 6.234 -2.032 1.099 200 H GLU 95 H GLU 95 6.921 -3.510 7.907 201 HA GLU 95 HA GLU 95 4.540 -3.315 9.488 202 HB2 GLU 95 HB2 GLU 95 6.857 -5.260 9.588 203 HB3 GLU 95 HB3 GLU 95 5.366 -5.432 10.515 204 HG2 GLU 95 HG2 GLU 95 5.425 -5.168 7.500 205 HG3 GLU 95 HG3 GLU 95 5.412 -6.720 8.334 206 H ALA 96 H ALA 96 7.565 -1.938 9.823 207 HA ALA 96 HA ALA 96 8.398 -0.610 11.513 208 HB1 ALA 96 HB1 ALA 96 5.820 -0.630 12.179 209 HB2 ALA 96 HB2 ALA 96 7.035 0.020 13.276 210 HB3 ALA 96 HB3 ALA 96 6.407 -1.612 13.520 211 H ARG 97 H ARG 97 8.989 -3.486 11.003 212 HA ARG 97 HA ARG 97 9.494 -4.866 13.400 213 HB2 ARG 97 HB2 ARG 97 9.585 -5.867 11.112 214 HB3 ARG 97 HB3 ARG 97 11.103 -5.012 10.840 215 HG2 ARG 97 HG2 ARG 97 12.058 -6.162 12.850 216 HG3 ARG 97 HG3 ARG 97 10.561 -7.085 12.988 217 HD2 ARG 97 HD2 ARG 97 12.406 -7.071 10.586 218 HD3 ARG 97 HD3 ARG 97 12.299 -8.358 11.784 219 HE ARG 97 HE ARG 97 10.364 -7.777 9.681 220 HH11 ARG 97 HH21 ARG 97 11.093 -9.378 12.658 221 HH12 ARG 97 HH22 ARG 97 9.845 -10.567 12.483 222 HH21 ARG 97 HH11 ARG 97 8.727 -9.328 9.444 223 HH22 ARG 97 HH12 ARG 97 8.505 -10.538 10.662 224 H GLU 98 H GLU 98 11.528 -2.642 11.509 225 HA GLU 98 HA GLU 98 13.491 -2.592 13.733 226 HB2 GLU 98 HB2 GLU 98 14.356 -3.183 11.475 227 HB3 GLU 98 HB3 GLU 98 13.817 -1.609 10.887 228 HG2 GLU 98 HG2 GLU 98 15.263 -0.481 12.524 229 HG3 GLU 98 HG3 GLU 98 15.777 -2.043 13.160 230 H VAL 99 H VAL 99 13.706 -0.815 14.926 231 HA VAL 99 HA VAL 99 11.855 1.326 14.712 232 HB VAL 99 HB VAL 99 14.425 1.612 16.232 233 HG11 VAL 99 HG11 VAL 99 12.515 3.310 16.211 234 HG12 VAL 99 HG12 VAL 99 13.063 2.775 17.800 235 HG13 VAL 99 HG13 VAL 99 11.578 2.118 17.110 236 HG21 VAL 99 HG21 VAL 99 13.268 0.235 18.072 237 HG22 VAL 99 HG22 VAL 99 13.896 -0.692 16.711 238 HG23 VAL 99 HG23 VAL 99 12.172 -0.339 16.817 239 H ASN 100 H ASN 100 12.046 3.325 13.851 240 HA ASN 100 HA ASN 100 14.133 3.775 11.904 241 HB2 ASN 100 HB2 ASN 100 11.899 5.613 12.801 242 HB3 ASN 100 HB3 ASN 100 12.909 5.823 11.372 243 HD21 ASN 100 HD21 ASN 100 12.938 3.541 10.018 244 HD22 ASN 100 HD22 ASN 100 11.386 2.920 9.726 245 H SER 101 H SER 101 15.967 4.838 12.223 246 HA SER 101 HA SER 101 16.847 5.753 14.722 247 HB2 SER 101 HB2 SER 101 18.731 6.736 13.507 248 HB3 SER 101 HB3 SER 101 18.362 5.140 12.858 249 HG SER 101 HG SER 101 17.455 6.060 11.099 250 H GLN 102 H GLN 102 15.273 7.434 12.052 251 HA GLN 102 HA GLN 102 15.674 10.083 12.956 252 HB2 GLN 102 HB2 GLN 102 14.890 9.493 10.676 253 HB3 GLN 102 HB3 GLN 102 13.346 8.981 11.359 254 HG2 GLN 102 HG2 GLN 102 12.990 11.262 12.253 255 HG3 GLN 102 HG3 GLN 102 14.530 11.767 11.561 256 HE21 GLN 102 HE21 GLN 102 12.621 13.282 10.559 257 HE22 GLN 102 HE22 GLN 102 12.078 12.768 9.035 258 H GLU 103 H GLU 103 13.137 7.696 13.610 259 HA GLU 103 HA GLU 103 11.425 9.398 15.069 260 HB2 GLU 103 HB2 GLU 103 10.716 7.197 14.214 261 HB3 GLU 103 HB3 GLU 103 11.815 6.404 15.341 262 HG2 GLU 103 HG2 GLU 103 9.546 6.410 16.262 263 HG3 GLU 103 HG3 GLU 103 10.576 7.448 17.241 264 H GLU 104 H GLU 104 14.145 7.356 16.048 265 HA GLU 104 HA GLU 104 13.845 7.716 18.839 266 HB2 GLU 104 HB2 GLU 104 16.151 6.940 17.062 267 HB3 GLU 104 HB3 GLU 104 16.405 7.175 18.791 268 HG2 GLU 104 HG2 GLU 104 15.944 4.836 18.434 269 HG3 GLU 104 HG3 GLU 104 14.520 5.538 19.200 270 H GLU 105 H GLU 105 15.633 9.531 16.391 271 HA GLU 105 HA GLU 105 16.963 11.270 18.163 272 HB2 GLU 105 HB2 GLU 105 17.566 11.032 15.773 273 HB3 GLU 105 HB3 GLU 105 16.051 11.812 15.325 274 HG2 GLU 105 HG2 GLU 105 17.869 13.454 15.294 275 HG3 GLU 105 HG3 GLU 105 16.747 13.845 16.594 276 H GLU 106 H GLU 106 13.808 11.502 16.551 277 HA GLU 106 HA GLU 106 13.178 14.125 17.356 278 HB2 GLU 106 HB2 GLU 106 11.439 11.739 16.707 279 HB3 GLU 106 HB3 GLU 106 10.779 13.337 17.053 280 HG2 GLU 106 HG2 GLU 106 11.945 14.308 15.182 281 HG3 GLU 106 HG3 GLU 106 12.864 12.828 14.915 282 H GLU 107 H GLU 107 12.700 11.002 18.945 283 HA GLU 107 HA GLU 107 11.163 11.919 21.127 284 HB2 GLU 107 HB2 GLU 107 13.027 9.563 20.830 285 HB3 GLU 107 HB3 GLU 107 12.036 9.841 22.263 286 HG2 GLU 107 HG2 GLU 107 10.001 9.784 20.910 287 HG3 GLU 107 HG3 GLU 107 10.957 9.607 19.440 288 H GLU 108 H GLU 108 14.654 11.686 20.613 289 HA GLU 108 HA GLU 108 15.473 12.292 23.242 290 HB2 GLU 108 HB2 GLU 108 16.801 12.780 20.568 291 HB3 GLU 108 HB3 GLU 108 17.600 13.050 22.116 292 HG2 GLU 108 HG2 GLU 108 16.336 10.410 21.345 293 HG3 GLU 108 HG3 GLU 108 18.038 10.781 21.071 294 H LEU 109 H LEU 109 14.694 14.356 20.480 295 HA LEU 109 HA LEU 109 15.442 16.801 21.737 296 HB2 LEU 109 HB2 LEU 109 13.941 16.005 19.283 297 HB3 LEU 109 HB3 LEU 109 13.667 17.642 19.874 298 HG LEU 109 HG LEU 109 16.126 18.019 19.872 299 HD11 LEU 109 HD11 LEU 109 16.208 15.304 18.536 300 HD12 LEU 109 HD12 LEU 109 16.808 15.654 20.155 301 HD13 LEU 109 HD13 LEU 109 17.581 16.387 18.750 302 HD21 LEU 109 HD21 LEU 109 15.138 17.000 17.198 303 HD22 LEU 109 HD22 LEU 109 16.329 18.269 17.486 304 HD23 LEU 109 HD23 LEU 109 14.636 18.538 17.902 305 H LEU 110 H LEU 110 12.392 15.022 21.521 306 HA LEU 110 HA LEU 110 10.750 17.010 22.649 307 HB2 LEU 110 HB2 LEU 110 10.536 14.001 22.603 308 HB3 LEU 110 HB3 LEU 110 9.276 15.033 23.277 309 HG LEU 110 HG LEU 110 10.358 15.315 20.455 310 HD11 LEU 110 HD11 LEU 110 7.772 14.012 21.352 311 HD12 LEU 110 HD12 LEU 110 9.206 13.122 20.843 312 HD13 LEU 110 HD13 LEU 110 8.359 14.160 19.697 313 HD21 LEU 110 HD21 LEU 110 7.926 16.454 20.353 314 HD22 LEU 110 HD22 LEU 110 9.337 17.363 20.878 315 HD23 LEU 110 HD23 LEU 110 8.229 16.699 22.076 316 H ARG 111 H ARG 111 12.630 14.422 24.141 317 HA ARG 111 HA ARG 111 11.730 14.957 26.788 318 HB2 ARG 111 HB2 ARG 111 13.860 13.307 25.514 319 HB3 ARG 111 HB3 ARG 111 14.132 13.731 27.201 320 HG2 ARG 111 HG2 ARG 111 12.951 11.632 27.156 321 HG3 ARG 111 HG3 ARG 111 11.806 12.859 27.696 322 HD2 ARG 111 HD2 ARG 111 10.956 13.055 25.369 323 HD3 ARG 111 HD3 ARG 111 12.069 11.781 24.879 324 HE ARG 111 HE ARG 111 10.549 10.801 27.014 325 HH11 ARG 111 HH21 ARG 111 10.161 11.890 23.750 326 HH12 ARG 111 HH22 ARG 111 8.799 10.869 23.427 327 HH21 ARG 111 HH11 ARG 111 8.763 9.468 26.599 328 HH22 ARG 111 HH12 ARG 111 8.008 9.499 25.040 329 H LYS 112 H LYS 112 14.449 16.098 24.863 330 HA LYS 112 HA LYS 112 15.838 17.412 26.921 331 HB2 LYS 112 HB2 LYS 112 15.660 17.877 23.943 332 HB3 LYS 112 HB3 LYS 112 16.716 18.834 24.984 333 HG2 LYS 112 HG2 LYS 112 16.834 15.825 25.170 334 HG3 LYS 112 HG3 LYS 112 17.633 16.626 23.817 335 HD2 LYS 112 HD2 LYS 112 18.120 17.680 26.600 336 HD3 LYS 112 HD3 LYS 112 18.952 16.210 26.090 337 HE2 LYS 112 HE2 LYS 112 19.898 17.364 24.165 338 HE3 LYS 112 HE3 LYS 112 18.994 18.826 24.555 339 HZ1 LYS 112 HZ1 LYS 112 20.276 18.253 26.864 340 HZ2 LYS 112 HZ2 LYS 112 20.785 19.393 25.712 341 HZ3 LYS 112 HZ3 LYS 112 21.424 17.820 25.694 342 H ALA 113 H ALA 113 13.255 18.514 24.759 343 HA ALA 113 HA ALA 113 13.241 21.213 25.599 344 HB1 ALA 113 HB1 ALA 113 10.806 19.697 24.664 345 HB2 ALA 113 HB2 ALA 113 12.089 20.185 23.558 346 HB3 ALA 113 HB3 ALA 113 11.181 21.407 24.447 347 H ILE 114 H ILE 114 11.487 18.353 26.760 348 HA ILE 114 HA ILE 114 9.837 19.697 28.621 349 HB ILE 114 HB ILE 114 10.868 16.850 28.560 350 HG12 ILE 114 HG12 ILE 114 8.125 17.974 27.918 351 HG13 ILE 114 HG13 ILE 114 9.364 17.693 26.695 352 HG21 ILE 114 HG21 ILE 114 8.875 18.236 30.368 353 HG22 ILE 114 HG22 ILE 114 10.264 17.255 30.833 354 HG23 ILE 114 HG23 ILE 114 8.848 16.492 30.113 355 HD11 ILE 114 HD11 ILE 114 7.871 15.759 26.801 356 HD12 ILE 114 HD12 ILE 114 8.160 15.605 28.534 357 HD13 ILE 114 HD13 ILE 114 9.470 15.305 27.392 358 H ALA 115 H ALA 115 13.008 18.124 28.979 359 HA ALA 115 HA ALA 115 13.297 18.534 31.747 360 HB1 ALA 115 HB1 ALA 115 14.734 17.002 30.483 361 HB2 ALA 115 HB2 ALA 115 15.709 18.198 31.338 362 HB3 ALA 115 HB3 ALA 115 15.430 18.364 29.604 363 H GLU 116 H GLU 116 14.175 20.554 28.969 364 HA GLU 116 HA GLU 116 15.546 22.549 30.426 365 HB2 GLU 116 HB2 GLU 116 15.697 22.315 27.970 366 HB3 GLU 116 HB3 GLU 116 14.011 22.812 27.824 367 HG2 GLU 116 HG2 GLU 116 15.467 24.734 27.411 368 HG3 GLU 116 HG3 GLU 116 14.592 24.985 28.918 369 H SER 117 H SER 117 12.142 22.194 29.493 370 HA SER 117 HA SER 117 11.257 24.709 30.415 371 HB2 SER 117 HB2 SER 117 9.805 22.076 30.116 372 HB3 SER 117 HB3 SER 117 9.004 23.598 30.501 373 HG SER 117 HG SER 117 10.729 23.810 28.401 374 H LEU 118 H LEU 118 11.574 21.574 32.025 375 HA LEU 118 HA LEU 118 10.338 22.323 34.463 376 HB2 LEU 118 HB2 LEU 118 12.378 20.188 33.811 377 HB3 LEU 118 HB3 LEU 118 11.607 20.350 35.388 378 HG LEU 118 HG LEU 118 10.064 20.055 32.795 379 HD11 LEU 118 HD11 LEU 118 11.230 17.998 33.013 380 HD12 LEU 118 HD12 LEU 118 9.650 17.693 33.732 381 HD13 LEU 118 HD13 LEU 118 11.046 17.987 34.768 382 HD21 LEU 118 HD21 LEU 118 9.330 20.185 35.720 383 HD22 LEU 118 HD22 LEU 118 8.338 19.212 34.634 384 HD23 LEU 118 HD23 LEU 118 8.537 20.932 34.335 385 H ASN 119 H ASN 119 13.651 22.529 33.292 386 HA ASN 119 HA ASN 119 14.678 23.447 35.839 387 HB2 ASN 119 HB2 ASN 119 15.918 23.374 33.078 388 HB3 ASN 119 HB3 ASN 119 16.774 23.810 34.555 389 HD21 ASN 119 HD21 ASN 119 16.285 21.995 36.406 390 HD22 ASN 119 HD22 ASN 119 16.513 20.402 35.868 391 H SER 120 H SER 120 13.029 24.855 33.234 392 HA SER 120 HA SER 120 14.219 27.475 33.384 393 HB2 SER 120 HB2 SER 120 11.663 26.486 32.112 394 HB3 SER 120 HB3 SER 120 12.248 28.143 31.990 395 HG SER 120 HG SER 120 13.287 25.769 30.919 396 H CYS 121 H CYS 121 13.258 29.359 34.246 397 HA CYS 121 HA CYS 121 11.391 28.830 36.492 398 HB2 CYS 121 HB2 CYS 121 13.323 31.124 36.065 399 HB3 CYS 121 HB3 CYS 121 12.277 30.898 37.468 400 HG CYS 121 HG CYS 121 14.940 29.601 37.148 401 H ARG 122 H ARG 122 9.591 30.099 36.789 402 HA ARG 122 HA ARG 122 8.388 31.109 34.437 403 HB2 ARG 122 HB2 ARG 122 6.553 31.824 35.980 404 HB3 ARG 122 HB3 ARG 122 7.026 30.142 36.209 405 HG2 ARG 122 HG2 ARG 122 8.422 30.778 38.117 406 HG3 ARG 122 HG3 ARG 122 8.011 32.476 37.873 407 HD2 ARG 122 HD2 ARG 122 5.629 31.953 38.254 408 HD3 ARG 122 HD3 ARG 122 6.044 30.261 38.514 409 HE ARG 122 HE ARG 122 6.458 32.455 40.372 410 HH11 ARG 122 HH21 ARG 122 7.325 29.256 39.378 411 HH12 ARG 122 HH22 ARG 122 7.923 28.785 40.933 412 HH21 ARG 122 HH11 ARG 122 7.241 31.844 42.416 413 HH22 ARG 122 HH12 ARG 122 7.875 30.251 42.654 414 HA PRO 123 HA PRO 123 9.806 35.316 34.544 415 HB2 PRO 123 HB2 PRO 123 7.695 36.596 33.325 416 HB3 PRO 123 HB3 PRO 123 8.853 35.577 32.444 417 HG2 PRO 123 HG2 PRO 123 6.117 34.894 33.441 418 HG3 PRO 123 HG3 PRO 123 6.878 34.501 31.890 419 HD2 PRO 123 HD2 PRO 123 6.707 32.704 33.905 420 HD3 PRO 123 HD3 PRO 123 8.070 32.720 32.771 421 H SER 124 H SER 124 9.593 37.236 35.718 422 HA SER 124 HA SER 124 8.103 37.100 38.134 423 HB2 SER 124 HB2 SER 124 9.511 39.443 36.832 424 HB3 SER 124 HB3 SER 124 8.909 39.414 38.487 425 HG SER 124 HG SER 124 10.436 37.995 39.033 426 H ASP 125 H ASP 125 6.294 38.256 38.802 427 HA ASP 125 HA ASP 125 4.381 38.863 36.732 428 HB2 ASP 125 HB2 ASP 125 3.747 37.766 38.870 429 HB3 ASP 125 HB3 ASP 125 4.164 39.249 39.725 430 H ALA 126 H ALA 126 4.221 40.759 35.735 431 HA ALA 126 HA ALA 126 5.693 43.055 36.458 432 HB1 ALA 126 HB1 ALA 126 5.033 42.774 34.172 433 HB2 ALA 126 HB2 ALA 126 4.195 44.203 34.776 434 HB3 ALA 126 HB3 ALA 126 3.329 42.676 34.613 435 H SER 127 H SER 127 2.354 42.088 37.082 436 HA SER 127 HA SER 127 1.621 44.614 38.260 437 HB2 SER 127 HB2 SER 127 -0.481 43.557 38.761 438 HB3 SER 127 HB3 SER 127 0.005 43.044 37.148 439 HG SER 127 HG SER 127 -0.128 41.098 37.905 440 H ALA 128 H ALA 128 3.294 41.841 39.325 441 HA ALA 128 HA ALA 128 4.323 41.436 41.350 442 HB1 ALA 128 HB1 ALA 128 2.834 43.640 42.743 443 HB2 ALA 128 HB2 ALA 128 4.028 44.077 41.522 444 HB3 ALA 128 HB3 ALA 128 4.515 43.128 42.924 445 H THR 129 H THR 129 1.249 41.041 40.539 446 HA THR 129 HA THR 129 -0.095 40.523 42.979 447 HB THR 129 HB THR 129 -0.571 39.340 40.232 448 HG1 THR 129 HG1 THR 129 -1.879 41.489 41.526 449 HG21 THR 129 HG21 THR 129 -2.235 39.441 42.756 450 HG22 THR 129 HG22 THR 129 -1.703 38.008 41.877 451 HG23 THR 129 HG23 THR 129 -2.912 39.079 41.167 452 H ARG 130 H ARG 130 -0.059 38.812 44.312 453 HA ARG 130 HA ARG 130 1.966 36.817 44.026 454 HB2 ARG 130 HB2 ARG 130 1.018 35.882 46.099 455 HB3 ARG 130 HB3 ARG 130 1.246 37.626 46.232 456 HG2 ARG 130 HG2 ARG 130 -1.148 37.957 45.639 457 HG3 ARG 130 HG3 ARG 130 -1.362 36.207 45.604 458 HD2 ARG 130 HD2 ARG 130 -2.079 37.029 47.771 459 HD3 ARG 130 HD3 ARG 130 -0.590 36.113 47.979 460 HE ARG 130 HE ARG 130 0.001 38.868 47.593 461 HH11 ARG 130 HH21 ARG 130 -1.303 36.610 49.870 462 HH12 ARG 130 HH22 ARG 130 -0.823 37.525 51.260 463 HH21 ARG 130 HH11 ARG 130 0.633 40.073 49.413 464 HH22 ARG 130 HH12 ARG 130 0.273 39.483 51.001 465 H SER 131 H SER 131 1.731 34.583 43.712 466 HA SER 131 HA SER 131 0.917 32.720 42.638 467 HB2 SER 131 HB2 SER 131 -1.768 33.743 43.586 468 HB3 SER 131 HB3 SER 131 -1.361 32.084 43.149 469 HG SER 131 HG SER 131 -0.551 31.828 45.065 Start of MODEL 3 1 H1 GLY -4 H1 GLY -4 2.413 -25.012 5.557 2 H2 GLY -4 H2 GLY -4 4.051 -25.369 5.837 3 H3 GLY -4 H3 GLY -4 3.607 -24.361 4.544 4 HA2 GLY -4 HA2 GLY -4 3.961 -22.637 5.874 5 HA3 GLY -4 HA3 GLY -4 2.505 -23.147 6.733 6 HA PRO -3 HA PRO -3 4.885 -24.261 10.266 7 HB2 PRO -3 HB2 PRO -3 3.892 -26.687 11.055 8 HB3 PRO -3 HB3 PRO -3 2.974 -25.176 11.195 9 HG2 PRO -3 HG2 PRO -3 2.771 -27.330 9.141 10 HG3 PRO -3 HG3 PRO -3 1.488 -26.379 9.910 11 HD2 PRO -3 HD2 PRO -3 2.454 -25.849 7.380 12 HD3 PRO -3 HD3 PRO -3 1.728 -24.611 8.427 13 H LEU -2 H LEU -2 6.927 -24.453 9.183 14 HA LEU -2 HA LEU -2 8.869 -25.507 8.579 15 HB2 LEU -2 HB2 LEU -2 8.732 -26.380 10.866 16 HB3 LEU -2 HB3 LEU -2 7.699 -27.698 10.318 17 HG LEU -2 HG LEU -2 9.522 -28.540 8.877 18 HD11 LEU -2 HD11 LEU -2 10.823 -26.709 8.233 19 HD12 LEU -2 HD12 LEU -2 11.852 -27.447 9.455 20 HD13 LEU -2 HD13 LEU -2 10.875 -26.039 9.866 21 HD21 LEU -2 HD21 LEU -2 10.950 -29.380 10.649 22 HD22 LEU -2 HD22 LEU -2 9.307 -29.261 11.275 23 HD23 LEU -2 HD23 LEU -2 10.501 -28.037 11.702 24 H GLY -1 H GLY -1 8.661 -25.775 6.393 25 HA2 GLY -1 HA2 GLY -1 8.347 -28.460 5.430 26 HA3 GLY -1 HA3 GLY -1 7.000 -27.428 4.957 27 H SER 0 H SER 0 10.547 -27.666 4.859 28 HA SER 0 HA SER 0 10.992 -25.568 3.037 29 HB2 SER 0 HB2 SER 0 13.163 -26.609 2.647 30 HB3 SER 0 HB3 SER 0 12.776 -26.649 4.365 31 HG SER 0 HG SER 0 13.144 -28.690 2.600 32 H ARG 74 H ARG 74 9.832 -28.805 2.615 33 HA ARG 74 HA ARG 74 10.411 -29.063 -0.167 34 HB2 ARG 74 HB2 ARG 74 9.889 -30.973 1.370 35 HB3 ARG 74 HB3 ARG 74 8.214 -30.425 1.406 36 HG2 ARG 74 HG2 ARG 74 8.089 -30.659 -1.055 37 HG3 ARG 74 HG3 ARG 74 9.757 -31.232 -1.079 38 HD2 ARG 74 HD2 ARG 74 9.119 -33.127 0.377 39 HD3 ARG 74 HD3 ARG 74 7.452 -32.558 0.375 40 HE ARG 74 HE ARG 74 7.213 -33.375 -1.804 41 HH11 ARG 74 HH21 ARG 74 10.514 -33.399 -0.766 42 HH12 ARG 74 HH22 ARG 74 11.076 -34.337 -2.108 43 HH21 ARG 74 HH11 ARG 74 7.943 -34.608 -3.570 44 HH22 ARG 74 HH12 ARG 74 9.620 -35.022 -3.696 45 H LYS 75 H LYS 75 7.756 -27.654 1.674 46 HA LYS 75 HA LYS 75 6.152 -27.275 -0.742 47 HB2 LYS 75 HB2 LYS 75 5.650 -26.540 2.136 48 HB3 LYS 75 HB3 LYS 75 4.488 -26.324 0.830 49 HG2 LYS 75 HG2 LYS 75 4.636 -28.788 0.367 50 HG3 LYS 75 HG3 LYS 75 5.647 -28.951 1.801 51 HD2 LYS 75 HD2 LYS 75 2.896 -27.699 1.893 52 HD3 LYS 75 HD3 LYS 75 3.154 -29.425 2.130 53 HE2 LYS 75 HE2 LYS 75 4.772 -28.848 3.981 54 HE3 LYS 75 HE3 LYS 75 4.274 -27.166 3.818 55 HZ1 LYS 75 HZ1 LYS 75 2.897 -29.360 5.043 56 HZ2 LYS 75 HZ2 LYS 75 1.921 -28.493 3.953 57 HZ3 LYS 75 HZ3 LYS 75 2.675 -27.691 5.248 58 H ILE 76 H ILE 76 8.527 -25.657 0.955 59 HA ILE 76 HA ILE 76 7.623 -22.966 0.221 60 HB ILE 76 HB ILE 76 10.088 -23.919 1.683 61 HG12 ILE 76 HG12 ILE 76 7.753 -22.264 2.664 62 HG13 ILE 76 HG13 ILE 76 7.798 -24.015 2.814 63 HG21 ILE 76 HG21 ILE 76 9.174 -21.170 0.828 64 HG22 ILE 76 HG22 ILE 76 10.747 -21.923 0.568 65 HG23 ILE 76 HG23 ILE 76 10.275 -21.404 2.186 66 HD11 ILE 76 HD11 ILE 76 9.964 -22.185 3.876 67 HD12 ILE 76 HD12 ILE 76 9.797 -23.914 4.172 68 HD13 ILE 76 HD13 ILE 76 8.627 -22.787 4.855 69 H ALA 77 H ALA 77 8.136 -22.025 -1.636 70 HA ALA 77 HA ALA 77 10.025 -23.296 -3.449 71 HB1 ALA 77 HB1 ALA 77 8.411 -20.765 -3.834 72 HB2 ALA 77 HB2 ALA 77 7.843 -22.384 -4.246 73 HB3 ALA 77 HB3 ALA 77 9.232 -21.696 -5.087 74 H GLN 78 H GLN 78 11.745 -22.081 -4.500 75 HA GLN 78 HA GLN 78 13.399 -20.723 -2.628 76 HB2 GLN 78 HB2 GLN 78 13.599 -20.963 -5.640 77 HB3 GLN 78 HB3 GLN 78 14.870 -20.320 -4.599 78 HG2 GLN 78 HG2 GLN 78 14.920 -22.471 -3.361 79 HG3 GLN 78 HG3 GLN 78 13.693 -23.109 -4.454 80 HE21 GLN 78 HE21 GLN 78 15.953 -24.578 -4.512 81 HE22 GLN 78 HE22 GLN 78 16.904 -24.229 -5.873 82 H MET 79 H MET 79 13.630 -18.607 -2.189 83 HA MET 79 HA MET 79 11.741 -16.730 -3.302 84 HB2 MET 79 HB2 MET 79 12.669 -15.159 -1.697 85 HB3 MET 79 HB3 MET 79 12.408 -16.714 -0.903 86 HG2 MET 79 HG2 MET 79 14.839 -17.255 -1.418 87 HG3 MET 79 HG3 MET 79 15.027 -15.569 -1.899 88 HE1 MET 79 HE1 MET 79 16.866 -15.366 1.345 89 HE2 MET 79 HE2 MET 79 16.907 -15.597 -0.401 90 HE3 MET 79 HE3 MET 79 16.731 -16.991 0.660 91 H THR 80 H THR 80 12.070 -15.277 -4.872 92 HA THR 80 HA THR 80 14.570 -15.337 -6.340 93 HB THR 80 HB THR 80 13.431 -13.924 -7.953 94 HG1 THR 80 HG1 THR 80 12.140 -13.091 -5.858 95 HG21 THR 80 HG21 THR 80 12.919 -16.386 -7.834 96 HG22 THR 80 HG22 THR 80 11.633 -15.421 -8.555 97 HG23 THR 80 HG23 THR 80 11.484 -15.985 -6.890 98 H GLU 82 H GLU 82 15.496 -13.180 -7.081 99 HA GLU 82 HA GLU 82 16.505 -11.784 -4.869 100 HB2 GLU 82 HB2 GLU 82 17.608 -11.849 -7.087 101 HB3 GLU 82 HB3 GLU 82 16.318 -10.846 -7.747 102 HG2 GLU 82 HG2 GLU 82 18.248 -9.450 -7.188 103 HG3 GLU 82 HG3 GLU 82 16.908 -9.054 -6.120 104 H GLU 83 H GLU 83 13.859 -10.989 -7.110 105 HA GLU 83 HA GLU 83 13.291 -8.430 -6.050 106 HB2 GLU 83 HB2 GLU 83 11.573 -10.423 -7.539 107 HB3 GLU 83 HB3 GLU 83 11.022 -8.803 -7.106 108 HG2 GLU 83 HG2 GLU 83 12.894 -7.815 -8.354 109 HG3 GLU 83 HG3 GLU 83 13.486 -9.424 -8.760 110 H GLN 84 H GLN 84 12.071 -11.659 -5.258 111 HA GLN 84 HA GLN 84 10.109 -10.832 -3.396 112 HB2 GLN 84 HB2 GLN 84 11.615 -13.423 -3.734 113 HB3 GLN 84 HB3 GLN 84 10.344 -13.202 -2.532 114 HG2 GLN 84 HG2 GLN 84 8.741 -12.623 -4.284 115 HG3 GLN 84 HG3 GLN 84 10.000 -12.741 -5.509 116 HE21 GLN 84 HE21 GLN 84 9.011 -14.540 -6.638 117 HE22 GLN 84 HE22 GLN 84 8.905 -16.085 -5.943 118 H PHE 85 H PHE 85 13.530 -11.648 -3.067 119 HA PHE 85 HA PHE 85 13.662 -11.635 -0.255 120 HB2 PHE 85 HB2 PHE 85 15.465 -12.509 -1.687 121 HB3 PHE 85 HB3 PHE 85 15.804 -10.875 -2.257 122 HD1 PHE 85 HD1 PHE 85 15.611 -12.961 0.831 123 HD2 PHE 85 HD2 PHE 85 17.233 -9.441 -1.023 124 HE1 PHE 85 HE1 PHE 85 17.059 -12.586 2.810 125 HE2 PHE 85 HE2 PHE 85 18.680 -9.067 0.958 126 HZ PHE 85 HZ PHE 85 18.592 -10.640 2.873 127 H ALA 86 H ALA 86 14.241 -9.034 -2.623 128 HA ALA 86 HA ALA 86 14.869 -7.017 -0.754 129 HB1 ALA 86 HB1 ALA 86 14.145 -5.459 -2.626 130 HB2 ALA 86 HB2 ALA 86 13.719 -6.902 -3.548 131 HB3 ALA 86 HB3 ALA 86 15.390 -6.633 -3.055 132 H LEU 87 H LEU 87 11.805 -8.086 -2.156 133 HA LEU 87 HA LEU 87 10.194 -6.055 -1.041 134 HB2 LEU 87 HB2 LEU 87 9.400 -7.496 -2.863 135 HB3 LEU 87 HB3 LEU 87 9.442 -8.890 -1.788 136 HG LEU 87 HG LEU 87 7.760 -7.820 -0.320 137 HD11 LEU 87 HD11 LEU 87 8.002 -5.508 -0.499 138 HD12 LEU 87 HD12 LEU 87 6.575 -5.768 -1.494 139 HD13 LEU 87 HD13 LEU 87 8.151 -5.549 -2.255 140 HD21 LEU 87 HD21 LEU 87 7.086 -8.043 -3.263 141 HD22 LEU 87 HD22 LEU 87 5.860 -7.825 -2.015 142 HD23 LEU 87 HD23 LEU 87 6.874 -9.267 -2.011 143 H ALA 88 H ALA 88 11.183 -9.234 0.158 144 HA ALA 88 HA ALA 88 9.539 -9.340 2.424 145 HB1 ALA 88 HB1 ALA 88 10.966 -11.204 1.513 146 HB2 ALA 88 HB2 ALA 88 11.083 -10.998 3.260 147 HB3 ALA 88 HB3 ALA 88 12.370 -10.398 2.214 148 H LEU 89 H LEU 89 12.752 -7.909 1.960 149 HA LEU 89 HA LEU 89 13.095 -7.108 4.668 150 HB2 LEU 89 HB2 LEU 89 14.341 -6.113 2.099 151 HB3 LEU 89 HB3 LEU 89 14.848 -5.581 3.701 152 HG LEU 89 HG LEU 89 14.804 -8.474 2.788 153 HD11 LEU 89 HD11 LEU 89 16.481 -7.311 1.513 154 HD12 LEU 89 HD12 LEU 89 17.313 -8.206 2.782 155 HD13 LEU 89 HD13 LEU 89 17.068 -6.466 2.945 156 HD21 LEU 89 HD21 LEU 89 14.754 -8.655 5.102 157 HD22 LEU 89 HD22 LEU 89 15.517 -7.087 5.355 158 HD23 LEU 89 HD23 LEU 89 16.490 -8.473 4.878 159 H LYS 90 H LYS 90 11.741 -5.551 1.815 160 HA LYS 90 HA LYS 90 11.409 -2.973 2.916 161 HB2 LYS 90 HB2 LYS 90 11.248 -3.496 0.501 162 HB3 LYS 90 HB3 LYS 90 9.735 -4.344 0.801 163 HG2 LYS 90 HG2 LYS 90 8.727 -2.275 1.686 164 HG3 LYS 90 HG3 LYS 90 10.240 -1.418 1.421 165 HD2 LYS 90 HD2 LYS 90 8.886 -2.838 -0.868 166 HD3 LYS 90 HD3 LYS 90 8.340 -1.238 -0.374 167 HE2 LYS 90 HE2 LYS 90 11.185 -1.944 -1.172 168 HE3 LYS 90 HE3 LYS 90 10.022 -1.087 -2.175 169 HZ1 LYS 90 HZ1 LYS 90 10.084 0.171 0.307 170 HZ2 LYS 90 HZ2 LYS 90 10.613 0.781 -1.188 171 HZ3 LYS 90 HZ3 LYS 90 11.695 -0.050 -0.175 172 H MET 91 H MET 91 9.302 -5.823 2.862 173 HA MET 91 HA MET 91 7.029 -4.601 4.003 174 HB2 MET 91 HB2 MET 91 7.992 -7.464 4.006 175 HB3 MET 91 HB3 MET 91 6.434 -6.969 4.665 176 HG2 MET 91 HG2 MET 91 5.730 -6.104 2.514 177 HG3 MET 91 HG3 MET 91 7.328 -6.375 1.833 178 HE1 MET 91 HE1 MET 91 4.193 -7.676 3.295 179 HE2 MET 91 HE2 MET 91 5.117 -8.851 4.227 180 HE3 MET 91 HE3 MET 91 4.089 -9.398 2.907 181 H SER 92 H SER 92 9.838 -6.190 5.455 182 HA SER 92 HA SER 92 8.922 -6.201 8.121 183 HB2 SER 92 HB2 SER 92 11.723 -6.072 6.988 184 HB3 SER 92 HB3 SER 92 11.362 -6.324 8.693 185 HG SER 92 HG SER 92 10.829 -8.313 8.259 186 H GLU 93 H GLU 93 10.689 -3.780 6.234 187 HA GLU 93 HA GLU 93 11.138 -1.962 8.370 188 HB2 GLU 93 HB2 GLU 93 10.984 -1.551 5.374 189 HB3 GLU 93 HB3 GLU 93 11.476 -0.298 6.515 190 HG2 GLU 93 HG2 GLU 93 13.318 -1.722 7.308 191 HG3 GLU 93 HG3 GLU 93 12.818 -2.999 6.204 192 H GLN 94 H GLN 94 8.531 -2.356 6.024 193 HA GLN 94 HA GLN 94 7.098 0.003 6.674 194 HB2 GLN 94 HB2 GLN 94 6.220 -2.610 5.435 195 HB3 GLN 94 HB3 GLN 94 5.161 -1.208 5.612 196 HG2 GLN 94 HG2 GLN 94 6.586 0.147 4.232 197 HG3 GLN 94 HG3 GLN 94 7.846 -1.085 4.223 198 HE21 GLN 94 HE21 GLN 94 7.059 -0.332 1.733 199 HE22 GLN 94 HE22 GLN 94 6.032 -1.486 1.027 200 H GLU 95 H GLU 95 7.115 -3.249 8.000 201 HA GLU 95 HA GLU 95 4.786 -2.938 9.620 202 HB2 GLU 95 HB2 GLU 95 7.101 -4.877 9.699 203 HB3 GLU 95 HB3 GLU 95 5.752 -4.953 10.832 204 HG2 GLU 95 HG2 GLU 95 4.172 -5.290 9.046 205 HG3 GLU 95 HG3 GLU 95 5.399 -4.963 7.825 206 H ALA 96 H ALA 96 7.897 -1.631 9.835 207 HA ALA 96 HA ALA 96 8.830 -0.262 11.426 208 HB1 ALA 96 HB1 ALA 96 6.581 -0.764 13.343 209 HB2 ALA 96 HB2 ALA 96 6.270 0.166 11.880 210 HB3 ALA 96 HB3 ALA 96 7.482 0.719 13.034 211 H ARG 97 H ARG 97 9.468 -3.002 11.247 212 HA ARG 97 HA ARG 97 9.445 -4.451 13.620 213 HB2 ARG 97 HB2 ARG 97 10.311 -5.274 11.421 214 HB3 ARG 97 HB3 ARG 97 11.754 -4.292 11.666 215 HG2 ARG 97 HG2 ARG 97 12.190 -5.516 13.796 216 HG3 ARG 97 HG3 ARG 97 10.795 -6.541 13.462 217 HD2 ARG 97 HD2 ARG 97 12.762 -7.715 12.702 218 HD3 ARG 97 HD3 ARG 97 11.879 -7.173 11.279 219 HE ARG 97 HE ARG 97 13.642 -5.726 10.786 220 HH11 ARG 97 HH21 ARG 97 13.902 -7.010 13.989 221 HH12 ARG 97 HH22 ARG 97 15.504 -6.406 14.250 222 HH21 ARG 97 HH11 ARG 97 15.744 -4.930 11.122 223 HH22 ARG 97 HH12 ARG 97 16.547 -5.229 12.627 224 H GLU 98 H GLU 98 11.691 -1.890 12.586 225 HA GLU 98 HA GLU 98 12.239 -1.187 15.312 226 HB2 GLU 98 HB2 GLU 98 13.723 -3.265 14.744 227 HB3 GLU 98 HB3 GLU 98 14.675 -2.120 13.804 228 HG2 GLU 98 HG2 GLU 98 14.886 -0.685 15.840 229 HG3 GLU 98 HG3 GLU 98 14.022 -1.912 16.759 230 H VAL 99 H VAL 99 11.695 -0.343 12.310 231 HA VAL 99 HA VAL 99 13.729 1.719 11.966 232 HB VAL 99 HB VAL 99 11.229 1.522 10.303 233 HG11 VAL 99 HG11 VAL 99 13.048 3.295 10.024 234 HG12 VAL 99 HG12 VAL 99 12.667 2.361 8.578 235 HG13 VAL 99 HG13 VAL 99 14.118 1.993 9.506 236 HG21 VAL 99 HG21 VAL 99 12.593 -0.156 8.895 237 HG22 VAL 99 HG22 VAL 99 11.885 -0.784 10.384 238 HG23 VAL 99 HG23 VAL 99 13.601 -0.378 10.326 239 H ASN 100 H ASN 100 13.257 3.951 11.836 240 HA ASN 100 HA ASN 100 11.401 4.860 13.819 241 HB2 ASN 100 HB2 ASN 100 13.127 6.323 11.809 242 HB3 ASN 100 HB3 ASN 100 12.128 7.136 13.013 243 HD21 ASN 100 HD21 ASN 100 15.157 5.534 12.496 244 HD22 ASN 100 HD22 ASN 100 15.682 5.556 14.109 245 H SER 101 H SER 101 9.418 5.663 13.562 246 HA SER 101 HA SER 101 7.811 5.088 11.375 247 HB2 SER 101 HB2 SER 101 6.168 6.619 12.363 248 HB3 SER 101 HB3 SER 101 6.927 5.650 13.621 249 HG SER 101 HG SER 101 8.477 7.652 13.494 250 H GLN 102 H GLN 102 9.810 7.905 12.025 251 HA GLN 102 HA GLN 102 8.739 9.644 10.074 252 HB2 GLN 102 HB2 GLN 102 11.508 9.401 11.279 253 HB3 GLN 102 HB3 GLN 102 11.044 10.706 10.188 254 HG2 GLN 102 HG2 GLN 102 9.605 10.052 12.777 255 HG3 GLN 102 HG3 GLN 102 10.817 11.322 12.607 256 HE21 GLN 102 HE21 GLN 102 7.642 11.183 12.945 257 HE22 GLN 102 HE22 GLN 102 7.128 12.371 11.848 258 H GLU 103 H GLU 103 11.266 7.178 9.935 259 HA GLU 103 HA GLU 103 12.078 7.677 7.271 260 HB2 GLU 103 HB2 GLU 103 13.370 6.320 8.939 261 HB3 GLU 103 HB3 GLU 103 12.184 5.034 8.741 262 HG2 GLU 103 HG2 GLU 103 13.630 6.223 6.365 263 HG3 GLU 103 HG3 GLU 103 14.329 4.909 7.301 264 H GLU 104 H GLU 104 9.567 5.666 8.692 265 HA GLU 104 HA GLU 104 8.849 4.222 6.376 266 HB2 GLU 104 HB2 GLU 104 7.267 5.028 8.823 267 HB3 GLU 104 HB3 GLU 104 6.616 3.991 7.555 268 HG2 GLU 104 HG2 GLU 104 8.330 2.337 7.926 269 HG3 GLU 104 HG3 GLU 104 9.200 3.409 9.023 270 H GLU 105 H GLU 105 7.839 7.381 7.610 271 HA GLU 105 HA GLU 105 5.734 7.852 5.796 272 HB2 GLU 105 HB2 GLU 105 6.146 9.239 7.798 273 HB3 GLU 105 HB3 GLU 105 7.628 9.850 7.066 274 HG2 GLU 105 HG2 GLU 105 6.344 10.824 5.215 275 HG3 GLU 105 HG3 GLU 105 4.852 10.165 5.884 276 H GLU 106 H GLU 106 9.210 8.582 5.617 277 HA GLU 106 HA GLU 106 9.098 9.847 3.067 278 HB2 GLU 106 HB2 GLU 106 11.382 8.496 4.523 279 HB3 GLU 106 HB3 GLU 106 11.565 9.429 3.036 280 HG2 GLU 106 HG2 GLU 106 10.332 10.522 5.579 281 HG3 GLU 106 HG3 GLU 106 12.016 10.762 5.120 282 H GLU 107 H GLU 107 9.567 6.522 4.106 283 HA GLU 107 HA GLU 107 10.365 5.403 1.656 284 HB2 GLU 107 HB2 GLU 107 10.479 4.212 3.827 285 HB3 GLU 107 HB3 GLU 107 8.717 4.103 3.838 286 HG2 GLU 107 HG2 GLU 107 8.744 2.798 1.775 287 HG3 GLU 107 HG3 GLU 107 10.493 2.981 1.651 288 H GLU 108 H GLU 108 7.156 6.082 2.979 289 HA GLU 108 HA GLU 108 5.639 4.728 1.030 290 HB2 GLU 108 HB2 GLU 108 5.028 7.158 2.724 291 HB3 GLU 108 HB3 GLU 108 3.834 6.371 1.693 292 HG2 GLU 108 HG2 GLU 108 5.417 4.896 3.807 293 HG3 GLU 108 HG3 GLU 108 3.830 5.602 4.110 294 H LEU 109 H LEU 109 6.968 8.015 1.122 295 HA LEU 109 HA LEU 109 5.710 8.955 -1.231 296 HB2 LEU 109 HB2 LEU 109 8.284 9.754 0.136 297 HB3 LEU 109 HB3 LEU 109 7.606 10.626 -1.236 298 HG LEU 109 HG LEU 109 6.112 10.090 1.348 299 HD11 LEU 109 HD11 LEU 109 7.609 12.561 0.425 300 HD12 LEU 109 HD12 LEU 109 7.995 11.546 1.816 301 HD13 LEU 109 HD13 LEU 109 6.520 12.511 1.814 302 HD21 LEU 109 HD21 LEU 109 5.454 11.499 -1.222 303 HD22 LEU 109 HD22 LEU 109 4.837 12.196 0.270 304 HD23 LEU 109 HD23 LEU 109 4.414 10.545 -0.166 305 H LEU 110 H LEU 110 8.775 7.290 -0.658 306 HA LEU 110 HA LEU 110 9.782 7.491 -3.287 307 HB2 LEU 110 HB2 LEU 110 11.168 6.816 -1.354 308 HB3 LEU 110 HB3 LEU 110 10.264 5.310 -1.241 309 HG LEU 110 HG LEU 110 10.984 4.736 -3.563 310 HD11 LEU 110 HD11 LEU 110 13.072 6.173 -4.299 311 HD12 LEU 110 HD12 LEU 110 12.318 7.422 -3.312 312 HD13 LEU 110 HD13 LEU 110 11.449 6.733 -4.682 313 HD21 LEU 110 HD21 LEU 110 13.325 4.227 -2.978 314 HD22 LEU 110 HD22 LEU 110 12.251 3.917 -1.615 315 HD23 LEU 110 HD23 LEU 110 13.244 5.375 -1.641 316 H ARG 111 H ARG 111 7.772 5.057 -1.686 317 HA ARG 111 HA ARG 111 7.679 3.204 -3.805 318 HB2 ARG 111 HB2 ARG 111 5.728 3.779 -1.571 319 HB3 ARG 111 HB3 ARG 111 5.556 2.429 -2.693 320 HG2 ARG 111 HG2 ARG 111 7.759 1.567 -2.022 321 HG3 ARG 111 HG3 ARG 111 7.963 2.928 -0.918 322 HD2 ARG 111 HD2 ARG 111 7.178 0.978 0.329 323 HD3 ARG 111 HD3 ARG 111 5.924 2.212 0.307 324 HE ARG 111 HE ARG 111 5.631 0.366 -1.865 325 HH11 ARG 111 HH21 ARG 111 5.128 0.854 1.523 326 HH12 ARG 111 HH22 ARG 111 3.813 -0.268 1.630 327 HH21 ARG 111 HH11 ARG 111 3.902 -1.102 -1.733 328 HH22 ARG 111 HH12 ARG 111 3.117 -1.373 -0.214 329 H LYS 112 H LYS 112 5.702 6.041 -3.065 330 HA LYS 112 HA LYS 112 3.680 5.616 -4.973 331 HB2 LYS 112 HB2 LYS 112 3.521 7.311 -3.196 332 HB3 LYS 112 HB3 LYS 112 4.821 8.229 -3.953 333 HG2 LYS 112 HG2 LYS 112 3.454 8.546 -5.971 334 HG3 LYS 112 HG3 LYS 112 2.163 7.577 -5.264 335 HD2 LYS 112 HD2 LYS 112 1.931 9.213 -3.438 336 HD3 LYS 112 HD3 LYS 112 3.238 10.178 -4.128 337 HE2 LYS 112 HE2 LYS 112 1.925 10.483 -6.193 338 HE3 LYS 112 HE3 LYS 112 0.618 9.519 -5.509 339 HZ1 LYS 112 HZ1 LYS 112 1.261 12.260 -5.070 340 HZ2 LYS 112 HZ2 LYS 112 1.169 11.405 -3.606 341 HZ3 LYS 112 HZ3 LYS 112 -0.151 11.409 -4.674 342 H ALA 113 H ALA 113 6.783 7.364 -5.227 343 HA ALA 113 HA ALA 113 6.420 8.210 -7.902 344 HB1 ALA 113 HB1 ALA 113 8.838 8.601 -7.896 345 HB2 ALA 113 HB2 ALA 113 9.001 7.641 -6.425 346 HB3 ALA 113 HB3 ALA 113 8.118 9.168 -6.389 347 H ILE 114 H ILE 114 7.949 5.339 -6.497 348 HA ILE 114 HA ILE 114 8.843 4.239 -8.960 349 HB ILE 114 HB ILE 114 8.280 2.958 -6.277 350 HG12 ILE 114 HG12 ILE 114 10.905 3.592 -7.657 351 HG13 ILE 114 HG13 ILE 114 10.135 4.679 -6.500 352 HG21 ILE 114 HG21 ILE 114 9.450 1.836 -8.834 353 HG22 ILE 114 HG22 ILE 114 8.120 1.187 -7.873 354 HG23 ILE 114 HG23 ILE 114 9.768 1.113 -7.257 355 HD11 ILE 114 HD11 ILE 114 11.806 3.263 -5.375 356 HD12 ILE 114 HD12 ILE 114 10.975 1.817 -5.948 357 HD13 ILE 114 HD13 ILE 114 10.183 2.891 -4.793 358 H ALA 115 H ALA 115 5.924 3.732 -7.006 359 HA ALA 115 HA ALA 115 4.797 1.674 -8.546 360 HB1 ALA 115 HB1 ALA 115 3.387 3.831 -6.958 361 HB2 ALA 115 HB2 ALA 115 3.976 2.299 -6.311 362 HB3 ALA 115 HB3 ALA 115 2.671 2.312 -7.498 363 H GLU 116 H GLU 116 4.591 5.197 -8.848 364 HA GLU 116 HA GLU 116 2.632 5.259 -10.882 365 HB2 GLU 116 HB2 GLU 116 3.338 7.236 -9.551 366 HB3 GLU 116 HB3 GLU 116 4.887 7.220 -10.397 367 HG2 GLU 116 HG2 GLU 116 3.750 7.549 -12.543 368 HG3 GLU 116 HG3 GLU 116 2.181 7.494 -11.740 369 H SER 117 H SER 117 6.183 5.093 -10.999 370 HA SER 117 HA SER 117 6.425 5.306 -13.811 371 HB2 SER 117 HB2 SER 117 8.674 4.397 -13.481 372 HB3 SER 117 HB3 SER 117 8.316 5.592 -12.237 373 HG SER 117 HG SER 117 8.909 2.981 -11.980 374 H LEU 118 H LEU 118 6.043 2.532 -11.643 375 HA LEU 118 HA LEU 118 6.235 0.585 -13.752 376 HB2 LEU 118 HB2 LEU 118 5.667 0.553 -10.820 377 HB3 LEU 118 HB3 LEU 118 5.089 -0.821 -11.758 378 HG LEU 118 HG LEU 118 7.383 -1.135 -12.672 379 HD11 LEU 118 HD11 LEU 118 8.092 1.050 -10.692 380 HD12 LEU 118 HD12 LEU 118 8.150 1.199 -12.448 381 HD13 LEU 118 HD13 LEU 118 9.246 0.098 -11.620 382 HD21 LEU 118 HD21 LEU 118 6.703 -2.409 -10.702 383 HD22 LEU 118 HD22 LEU 118 7.139 -1.063 -9.649 384 HD23 LEU 118 HD23 LEU 118 8.394 -1.935 -10.532 385 H ASN 119 H ASN 119 3.638 2.272 -12.096 386 HA ASN 119 HA ASN 119 1.537 0.694 -13.247 387 HB2 ASN 119 HB2 ASN 119 1.547 3.392 -11.879 388 HB3 ASN 119 HB3 ASN 119 0.085 2.552 -12.390 389 HD21 ASN 119 HD21 ASN 119 1.086 3.191 -9.592 390 HD22 ASN 119 HD22 ASN 119 1.127 1.692 -8.796 391 H SER 120 H SER 120 3.561 3.162 -14.404 392 HA SER 120 HA SER 120 1.797 4.498 -16.182 393 HB2 SER 120 HB2 SER 120 4.796 4.108 -16.314 394 HB3 SER 120 HB3 SER 120 3.879 5.223 -17.322 395 HG SER 120 HG SER 120 4.666 6.312 -15.520 396 H CYS 121 H CYS 121 1.331 4.143 -18.328 397 HA CYS 121 HA CYS 121 1.480 1.409 -19.229 398 HB2 CYS 121 HB2 CYS 121 0.131 2.137 -21.080 399 HB3 CYS 121 HB3 CYS 121 -0.483 2.927 -19.628 400 HG CYS 121 HG CYS 121 0.349 4.431 -21.987 401 H ARG 122 H ARG 122 2.266 0.846 -21.411 402 HA ARG 122 HA ARG 122 4.970 1.636 -21.731 403 HB2 ARG 122 HB2 ARG 122 3.110 -0.030 -23.417 404 HB3 ARG 122 HB3 ARG 122 4.779 0.258 -23.878 405 HG2 ARG 122 HG2 ARG 122 5.514 -0.647 -21.677 406 HG3 ARG 122 HG3 ARG 122 3.830 -1.016 -21.299 407 HD2 ARG 122 HD2 ARG 122 4.889 -3.022 -22.169 408 HD3 ARG 122 HD3 ARG 122 3.728 -2.434 -23.355 409 HE ARG 122 HE ARG 122 6.291 -1.334 -23.893 410 HH11 ARG 122 HH21 ARG 122 4.486 -4.283 -23.988 411 HH12 ARG 122 HH22 ARG 122 5.384 -4.953 -25.309 412 HH21 ARG 122 HH11 ARG 122 7.473 -2.204 -25.630 413 HH22 ARG 122 HH12 ARG 122 7.075 -3.775 -26.240 414 HA PRO 123 HA PRO 123 4.564 5.152 -24.374 415 HB2 PRO 123 HB2 PRO 123 6.827 4.885 -25.949 416 HB3 PRO 123 HB3 PRO 123 6.845 5.481 -24.279 417 HG2 PRO 123 HG2 PRO 123 7.486 2.760 -25.326 418 HG3 PRO 123 HG3 PRO 123 8.276 3.691 -24.039 419 HD2 PRO 123 HD2 PRO 123 6.535 1.671 -23.496 420 HD3 PRO 123 HD3 PRO 123 6.697 3.085 -22.437 421 H SER 124 H SER 124 3.834 5.761 -26.415 422 HA SER 124 HA SER 124 2.629 3.711 -28.000 423 HB2 SER 124 HB2 SER 124 1.785 5.522 -29.355 424 HB3 SER 124 HB3 SER 124 1.676 6.004 -27.665 425 HG SER 124 HG SER 124 3.482 6.826 -29.663 426 H ASP 125 H ASP 125 2.958 3.468 -30.325 427 HA ASP 125 HA ASP 125 5.696 2.999 -30.953 428 HB2 ASP 125 HB2 ASP 125 3.632 1.749 -31.840 429 HB3 ASP 125 HB3 ASP 125 3.457 3.088 -32.973 430 H ALA 126 H ALA 126 6.779 3.861 -32.900 431 HA ALA 126 HA ALA 126 7.035 6.654 -32.806 432 HB1 ALA 126 HB1 ALA 126 8.809 5.163 -33.642 433 HB2 ALA 126 HB2 ALA 126 8.416 6.414 -34.821 434 HB3 ALA 126 HB3 ALA 126 7.815 4.772 -35.044 435 H SER 127 H SER 127 5.001 4.572 -34.755 436 HA SER 127 HA SER 127 4.229 6.639 -36.612 437 HB2 SER 127 HB2 SER 127 3.036 3.922 -36.023 438 HB3 SER 127 HB3 SER 127 2.517 4.981 -37.331 439 HG SER 127 HG SER 127 4.356 4.623 -38.370 440 H ALA 128 H ALA 128 3.573 6.188 -33.413 441 HA ALA 128 HA ALA 128 2.136 7.350 -32.029 442 HB1 ALA 128 HB1 ALA 128 1.945 8.883 -34.200 443 HB2 ALA 128 HB2 ALA 128 0.825 9.074 -32.849 444 HB3 ALA 128 HB3 ALA 128 0.335 8.171 -34.280 445 H THR 129 H THR 129 1.746 4.627 -33.504 446 HA THR 129 HA THR 129 -1.123 4.211 -33.117 447 HB THR 129 HB THR 129 1.060 2.305 -33.995 448 HG1 THR 129 HG1 THR 129 -0.048 2.624 -36.022 449 HG21 THR 129 HG21 THR 129 -1.024 1.027 -34.815 450 HG22 THR 129 HG22 THR 129 -1.933 2.044 -33.698 451 HG23 THR 129 HG23 THR 129 -0.673 0.970 -33.088 452 H ARG 130 H ARG 130 -2.006 3.340 -31.348 453 HA ARG 130 HA ARG 130 -0.428 2.888 -29.012 454 HB2 ARG 130 HB2 ARG 130 -2.781 3.725 -28.977 455 HB3 ARG 130 HB3 ARG 130 -3.318 2.129 -29.502 456 HG2 ARG 130 HG2 ARG 130 -2.262 1.128 -27.488 457 HG3 ARG 130 HG3 ARG 130 -1.784 2.739 -26.957 458 HD2 ARG 130 HD2 ARG 130 -3.834 2.149 -25.816 459 HD3 ARG 130 HD3 ARG 130 -4.203 3.401 -26.997 460 HE ARG 130 HE ARG 130 -4.577 0.853 -28.176 461 HH11 ARG 130 HH21 ARG 130 -5.903 2.993 -25.804 462 HH12 ARG 130 HH22 ARG 130 -7.525 2.418 -25.992 463 HH21 ARG 130 HH11 ARG 130 -6.704 0.094 -28.429 464 HH22 ARG 130 HH12 ARG 130 -7.979 0.776 -27.479 465 H SER 131 H SER 131 0.391 1.045 -28.201 466 HA SER 131 HA SER 131 0.668 -1.260 -29.799 467 HB2 SER 131 HB2 SER 131 1.048 -0.916 -26.817 468 HB3 SER 131 HB3 SER 131 1.593 -2.307 -27.750 469 HG SER 131 HG SER 131 3.261 -0.793 -27.541 Start of MODEL 4 1 H1 GLY -4 H1 GLY -4 0.570 -22.594 -2.381 2 H2 GLY -4 H2 GLY -4 0.049 -24.194 -2.144 3 H3 GLY -4 H3 GLY -4 1.430 -23.619 -1.338 4 HA2 GLY -4 HA2 GLY -4 0.106 -23.202 0.381 5 HA3 GLY -4 HA3 GLY -4 -0.484 -21.849 -0.585 6 HA PRO -3 HA PRO -3 -4.458 -23.571 -1.440 7 HB2 PRO -3 HB2 PRO -3 -3.673 -24.708 -4.106 8 HB3 PRO -3 HB3 PRO -3 -5.004 -23.607 -3.697 9 HG2 PRO -3 HG2 PRO -3 -2.841 -22.698 -4.915 10 HG3 PRO -3 HG3 PRO -3 -3.613 -21.747 -3.627 11 HD2 PRO -3 HD2 PRO -3 -1.110 -23.411 -3.494 12 HD3 PRO -3 HD3 PRO -3 -1.460 -21.839 -2.733 13 H LEU -2 H LEU -2 -1.906 -25.818 -2.472 14 HA LEU -2 HA LEU -2 -3.520 -28.109 -1.497 15 HB2 LEU -2 HB2 LEU -2 -1.089 -28.131 -3.303 16 HB3 LEU -2 HB3 LEU -2 -2.121 -29.505 -2.900 17 HG LEU -2 HG LEU -2 -3.006 -27.008 -4.378 18 HD11 LEU -2 HD11 LEU -2 -1.568 -28.448 -5.745 19 HD12 LEU -2 HD12 LEU -2 -3.235 -28.554 -6.305 20 HD13 LEU -2 HD13 LEU -2 -2.549 -29.852 -5.328 21 HD21 LEU -2 HD21 LEU -2 -4.461 -29.447 -3.356 22 HD22 LEU -2 HD22 LEU -2 -5.038 -28.625 -4.805 23 HD23 LEU -2 HD23 LEU -2 -4.945 -27.752 -3.281 24 H GLY -1 H GLY -1 -0.485 -26.388 -1.166 25 HA2 GLY -1 HA2 GLY -1 -0.021 -27.156 1.466 26 HA3 GLY -1 HA3 GLY -1 0.855 -28.301 0.455 27 H SER 0 H SER 0 2.329 -26.793 2.123 28 HA SER 0 HA SER 0 3.221 -24.332 0.958 29 HB2 SER 0 HB2 SER 0 4.455 -26.108 3.070 30 HB3 SER 0 HB3 SER 0 5.071 -24.522 2.620 31 HG SER 0 HG SER 0 3.490 -23.625 3.685 32 H ARG 74 H ARG 74 3.819 -27.624 0.319 33 HA ARG 74 HA ARG 74 6.497 -27.382 -0.676 34 HB2 ARG 74 HB2 ARG 74 4.352 -29.477 -1.066 35 HB3 ARG 74 HB3 ARG 74 5.983 -29.614 -1.729 36 HG2 ARG 74 HG2 ARG 74 6.947 -29.477 0.507 37 HG3 ARG 74 HG3 ARG 74 5.350 -29.219 1.210 38 HD2 ARG 74 HD2 ARG 74 4.639 -31.437 0.361 39 HD3 ARG 74 HD3 ARG 74 6.256 -31.694 -0.286 40 HE ARG 74 HE ARG 74 5.462 -31.820 2.514 41 HH11 ARG 74 HH21 ARG 74 8.009 -31.549 0.185 42 HH12 ARG 74 HH22 ARG 74 9.238 -32.120 1.262 43 HH21 ARG 74 HH11 ARG 74 7.067 -32.567 3.929 44 HH22 ARG 74 HH12 ARG 74 8.705 -32.696 3.384 45 H LYS 75 H LYS 75 3.458 -26.435 -1.852 46 HA LYS 75 HA LYS 75 4.136 -26.695 -4.660 47 HB2 LYS 75 HB2 LYS 75 1.764 -26.833 -3.541 48 HB3 LYS 75 HB3 LYS 75 1.817 -25.077 -3.634 49 HG2 LYS 75 HG2 LYS 75 0.848 -25.572 -5.693 50 HG3 LYS 75 HG3 LYS 75 2.548 -25.544 -6.150 51 HD2 LYS 75 HD2 LYS 75 2.580 -28.058 -5.693 52 HD3 LYS 75 HD3 LYS 75 0.828 -27.967 -5.578 53 HE2 LYS 75 HE2 LYS 75 2.517 -27.194 -7.972 54 HE3 LYS 75 HE3 LYS 75 1.437 -28.583 -7.852 55 HZ1 LYS 75 HZ1 LYS 75 -0.181 -27.279 -8.573 56 HZ2 LYS 75 HZ2 LYS 75 0.821 -25.908 -8.523 57 HZ3 LYS 75 HZ3 LYS 75 -0.058 -26.370 -7.147 58 H ILE 76 H ILE 76 5.114 -24.677 -2.326 59 HA ILE 76 HA ILE 76 4.982 -22.185 -3.835 60 HB ILE 76 HB ILE 76 6.482 -22.751 -1.272 61 HG12 ILE 76 HG12 ILE 76 4.145 -23.338 -0.943 62 HG13 ILE 76 HG13 ILE 76 4.454 -21.787 -0.167 63 HG21 ILE 76 HG21 ILE 76 6.167 -20.290 -0.973 64 HG22 ILE 76 HG22 ILE 76 5.464 -20.217 -2.588 65 HG23 ILE 76 HG23 ILE 76 7.152 -20.685 -2.381 66 HD11 ILE 76 HD11 ILE 76 2.917 -22.371 -2.684 67 HD12 ILE 76 HD12 ILE 76 3.653 -20.785 -2.469 68 HD13 ILE 76 HD13 ILE 76 2.462 -21.359 -1.314 69 H ALA 77 H ALA 77 6.436 -21.585 -5.270 70 HA ALA 77 HA ALA 77 8.766 -23.160 -5.816 71 HB1 ALA 77 HB1 ALA 77 7.425 -21.919 -7.546 72 HB2 ALA 77 HB2 ALA 77 9.163 -21.627 -7.622 73 HB3 ALA 77 HB3 ALA 77 8.096 -20.420 -6.905 74 H GLN 78 H GLN 78 10.951 -22.163 -6.010 75 HA GLN 78 HA GLN 78 11.842 -21.197 -3.517 76 HB2 GLN 78 HB2 GLN 78 13.184 -21.138 -6.230 77 HB3 GLN 78 HB3 GLN 78 13.997 -20.800 -4.701 78 HG2 GLN 78 HG2 GLN 78 14.426 -23.102 -5.160 79 HG3 GLN 78 HG3 GLN 78 13.174 -23.089 -3.917 80 HE21 GLN 78 HE21 GLN 78 11.971 -24.953 -4.464 81 HE22 GLN 78 HE22 GLN 78 11.254 -25.200 -5.982 82 H MET 79 H MET 79 12.495 -19.162 -2.832 83 HA MET 79 HA MET 79 11.082 -16.944 -4.003 84 HB2 MET 79 HB2 MET 79 13.039 -17.153 -1.709 85 HB3 MET 79 HB3 MET 79 12.255 -15.647 -2.185 86 HG2 MET 79 HG2 MET 79 10.053 -16.623 -1.789 87 HG3 MET 79 HG3 MET 79 10.782 -18.185 -1.434 88 HE1 MET 79 HE1 MET 79 10.728 -14.363 1.016 89 HE2 MET 79 HE2 MET 79 10.396 -14.601 -0.695 90 HE3 MET 79 HE3 MET 79 12.062 -14.474 -0.139 91 H THR 80 H THR 80 11.804 -15.470 -5.396 92 HA THR 80 HA THR 80 14.463 -15.749 -6.522 93 HB THR 80 HB THR 80 13.730 -14.104 -8.153 94 HG1 THR 80 HG1 THR 80 12.335 -12.693 -7.538 95 HG21 THR 80 HG21 THR 80 11.727 -15.289 -9.019 96 HG22 THR 80 HG22 THR 80 11.572 -16.119 -7.469 97 HG23 THR 80 HG23 THR 80 12.983 -16.409 -8.488 98 H GLU 82 H GLU 82 15.717 -13.684 -6.975 99 HA GLU 82 HA GLU 82 16.550 -12.537 -4.548 100 HB2 GLU 82 HB2 GLU 82 16.949 -11.679 -7.419 101 HB3 GLU 82 HB3 GLU 82 17.724 -10.869 -6.058 102 HG2 GLU 82 HG2 GLU 82 18.839 -12.923 -5.400 103 HG3 GLU 82 HG3 GLU 82 17.962 -13.836 -6.625 104 H GLU 83 H GLU 83 14.299 -11.404 -7.030 105 HA GLU 83 HA GLU 83 13.909 -8.797 -6.011 106 HB2 GLU 83 HB2 GLU 83 12.097 -10.591 -7.642 107 HB3 GLU 83 HB3 GLU 83 11.754 -8.894 -7.298 108 HG2 GLU 83 HG2 GLU 83 14.299 -9.854 -8.630 109 HG3 GLU 83 HG3 GLU 83 12.887 -9.284 -9.517 110 H GLN 84 H GLN 84 12.338 -11.891 -5.322 111 HA GLN 84 HA GLN 84 10.253 -10.901 -3.700 112 HB2 GLN 84 HB2 GLN 84 11.660 -13.568 -3.779 113 HB3 GLN 84 HB3 GLN 84 10.282 -13.243 -2.728 114 HG2 GLN 84 HG2 GLN 84 8.904 -12.669 -4.664 115 HG3 GLN 84 HG3 GLN 84 10.279 -12.899 -5.740 116 HE21 GLN 84 HE21 GLN 84 9.632 -14.766 -6.895 117 HE22 GLN 84 HE22 GLN 84 9.245 -16.242 -6.155 118 H PHE 85 H PHE 85 13.566 -11.891 -2.966 119 HA PHE 85 HA PHE 85 13.402 -11.744 -0.158 120 HB2 PHE 85 HB2 PHE 85 15.292 -12.795 -1.299 121 HB3 PHE 85 HB3 PHE 85 15.768 -11.240 -1.979 122 HD1 PHE 85 HD1 PHE 85 15.126 -12.955 1.285 123 HD2 PHE 85 HD2 PHE 85 17.216 -9.819 -0.779 124 HE1 PHE 85 HE1 PHE 85 16.414 -12.456 3.345 125 HE2 PHE 85 HE2 PHE 85 18.505 -9.324 1.280 126 HZ PHE 85 HZ PHE 85 18.102 -10.638 3.343 127 H ALA 86 H ALA 86 14.373 -9.307 -2.566 128 HA ALA 86 HA ALA 86 14.944 -7.232 -0.747 129 HB1 ALA 86 HB1 ALA 86 14.051 -7.201 -3.633 130 HB2 ALA 86 HB2 ALA 86 15.683 -6.989 -3.004 131 HB3 ALA 86 HB3 ALA 86 14.470 -5.736 -2.747 132 H LEU 87 H LEU 87 11.952 -8.218 -2.339 133 HA LEU 87 HA LEU 87 10.355 -6.046 -1.528 134 HB2 LEU 87 HB2 LEU 87 9.674 -7.639 -3.262 135 HB3 LEU 87 HB3 LEU 87 9.558 -8.915 -2.057 136 HG LEU 87 HG LEU 87 8.022 -6.459 -1.365 137 HD11 LEU 87 HD11 LEU 87 6.160 -7.032 -2.933 138 HD12 LEU 87 HD12 LEU 87 7.252 -8.134 -3.771 139 HD13 LEU 87 HD13 LEU 87 7.591 -6.403 -3.748 140 HD21 LEU 87 HD21 LEU 87 6.311 -8.125 -0.767 141 HD22 LEU 87 HD22 LEU 87 7.870 -8.594 -0.099 142 HD23 LEU 87 HD23 LEU 87 7.256 -9.397 -1.541 143 H ALA 88 H ALA 88 11.093 -9.140 0.027 144 HA ALA 88 HA ALA 88 9.303 -8.933 2.184 145 HB1 ALA 88 HB1 ALA 88 10.723 -10.578 3.287 146 HB2 ALA 88 HB2 ALA 88 12.046 -10.223 2.174 147 HB3 ALA 88 HB3 ALA 88 10.573 -10.989 1.579 148 H LEU 89 H LEU 89 12.608 -7.732 1.759 149 HA LEU 89 HA LEU 89 12.972 -6.777 4.399 150 HB2 LEU 89 HB2 LEU 89 14.197 -5.964 1.761 151 HB3 LEU 89 HB3 LEU 89 14.719 -5.301 3.306 152 HG LEU 89 HG LEU 89 14.634 -8.272 2.693 153 HD11 LEU 89 HD11 LEU 89 17.189 -7.943 2.611 154 HD12 LEU 89 HD12 LEU 89 16.842 -6.235 2.371 155 HD13 LEU 89 HD13 LEU 89 16.265 -7.425 1.203 156 HD21 LEU 89 HD21 LEU 89 16.421 -8.098 4.657 157 HD22 LEU 89 HD22 LEU 89 14.706 -8.126 5.027 158 HD23 LEU 89 HD23 LEU 89 15.580 -6.596 5.015 159 H LYS 90 H LYS 90 11.659 -5.284 1.478 160 HA LYS 90 HA LYS 90 11.408 -2.666 2.491 161 HB2 LYS 90 HB2 LYS 90 11.184 -3.330 0.096 162 HB3 LYS 90 HB3 LYS 90 9.614 -4.034 0.472 163 HG2 LYS 90 HG2 LYS 90 8.876 -1.799 1.342 164 HG3 LYS 90 HG3 LYS 90 10.409 -1.127 0.799 165 HD2 LYS 90 HD2 LYS 90 8.552 -2.606 -1.070 166 HD3 LYS 90 HD3 LYS 90 8.414 -0.871 -0.795 167 HE2 LYS 90 HE2 LYS 90 10.847 -0.660 -1.452 168 HE3 LYS 90 HE3 LYS 90 10.805 -2.359 -1.921 169 HZ1 LYS 90 HZ1 LYS 90 9.860 -0.105 -3.339 170 HZ2 LYS 90 HZ2 LYS 90 8.588 -1.200 -3.072 171 HZ3 LYS 90 HZ3 LYS 90 10.004 -1.714 -3.858 172 H MET 91 H MET 91 9.219 -5.452 2.567 173 HA MET 91 HA MET 91 7.054 -4.089 3.808 174 HB2 MET 91 HB2 MET 91 7.782 -7.019 3.674 175 HB3 MET 91 HB3 MET 91 6.278 -6.413 4.369 176 HG2 MET 91 HG2 MET 91 7.186 -5.798 1.545 177 HG3 MET 91 HG3 MET 91 6.082 -7.110 1.952 178 HE1 MET 91 HE1 MET 91 3.896 -5.854 0.356 179 HE2 MET 91 HE2 MET 91 5.526 -5.337 -0.065 180 HE3 MET 91 HE3 MET 91 4.257 -4.134 0.154 181 H SER 92 H SER 92 9.854 -5.839 5.010 182 HA SER 92 HA SER 92 9.096 -6.020 7.717 183 HB2 SER 92 HB2 SER 92 11.389 -6.508 8.170 184 HB3 SER 92 HB3 SER 92 11.038 -7.196 6.588 185 HG SER 92 HG SER 92 11.763 -4.725 6.152 186 H GLU 93 H GLU 93 10.374 -3.373 5.812 187 HA GLU 93 HA GLU 93 11.330 -1.743 7.920 188 HB2 GLU 93 HB2 GLU 93 10.203 -1.058 5.200 189 HB3 GLU 93 HB3 GLU 93 10.899 0.139 6.279 190 HG2 GLU 93 HG2 GLU 93 12.373 -2.350 5.398 191 HG3 GLU 93 HG3 GLU 93 12.513 -0.801 4.572 192 H GLN 94 H GLN 94 8.114 -2.086 6.464 193 HA GLN 94 HA GLN 94 6.916 0.012 7.992 194 HB2 GLN 94 HB2 GLN 94 5.771 -2.292 6.411 195 HB3 GLN 94 HB3 GLN 94 4.754 -1.139 7.277 196 HG2 GLN 94 HG2 GLN 94 4.935 -0.320 5.033 197 HG3 GLN 94 HG3 GLN 94 5.978 0.707 6.009 198 HE21 GLN 94 HE21 GLN 94 7.892 1.113 4.895 199 HE22 GLN 94 HE22 GLN 94 8.724 -0.026 3.949 200 H GLU 95 H GLU 95 7.488 -3.390 8.476 201 HA GLU 95 HA GLU 95 5.705 -3.674 10.710 202 HB2 GLU 95 HB2 GLU 95 8.047 -5.345 9.776 203 HB3 GLU 95 HB3 GLU 95 6.974 -5.794 11.101 204 HG2 GLU 95 HG2 GLU 95 5.043 -5.721 9.582 205 HG3 GLU 95 HG3 GLU 95 6.096 -5.240 8.254 206 H ALA 96 H ALA 96 8.718 -2.158 10.331 207 HA ALA 96 HA ALA 96 10.069 -1.093 11.853 208 HB1 ALA 96 HB1 ALA 96 7.752 -0.860 13.052 209 HB2 ALA 96 HB2 ALA 96 9.235 -0.533 13.946 210 HB3 ALA 96 HB3 ALA 96 8.408 -2.075 14.147 211 H ARG 97 H ARG 97 10.538 -3.783 10.998 212 HA ARG 97 HA ARG 97 11.449 -5.289 13.304 213 HB2 ARG 97 HB2 ARG 97 10.539 -6.408 11.286 214 HB3 ARG 97 HB3 ARG 97 11.908 -5.811 10.356 215 HG2 ARG 97 HG2 ARG 97 13.454 -7.004 11.902 216 HG3 ARG 97 HG3 ARG 97 12.058 -7.630 12.780 217 HD2 ARG 97 HD2 ARG 97 12.814 -9.315 11.205 218 HD3 ARG 97 HD3 ARG 97 11.260 -8.684 10.661 219 HE ARG 97 HE ARG 97 13.422 -7.233 9.485 220 HH11 ARG 97 HH21 ARG 97 11.668 -10.212 9.392 221 HH12 ARG 97 HH22 ARG 97 11.988 -10.509 7.716 222 HH21 ARG 97 HH11 ARG 97 13.846 -7.613 7.286 223 HH22 ARG 97 HH12 ARG 97 13.221 -9.036 6.523 224 H GLU 98 H GLU 98 13.442 -5.022 10.442 225 HA GLU 98 HA GLU 98 15.826 -4.715 11.939 226 HB2 GLU 98 HB2 GLU 98 16.916 -4.484 9.764 227 HB3 GLU 98 HB3 GLU 98 15.745 -5.803 9.730 228 HG2 GLU 98 HG2 GLU 98 14.070 -4.224 8.743 229 HG3 GLU 98 HG3 GLU 98 15.332 -2.995 8.662 230 H VAL 99 H VAL 99 13.460 -2.516 11.410 231 HA VAL 99 HA VAL 99 14.850 -0.168 10.662 232 HB VAL 99 HB VAL 99 12.446 -0.367 12.462 233 HG11 VAL 99 HG11 VAL 99 11.948 1.852 11.277 234 HG12 VAL 99 HG12 VAL 99 13.626 1.815 10.742 235 HG13 VAL 99 HG13 VAL 99 13.251 1.860 12.466 236 HG21 VAL 99 HG21 VAL 99 12.748 -0.500 9.445 237 HG22 VAL 99 HG22 VAL 99 11.236 0.004 10.191 238 HG23 VAL 99 HG23 VAL 99 11.873 -1.615 10.493 239 H ASN 100 H ASN 100 15.506 1.588 11.965 240 HA ASN 100 HA ASN 100 16.981 0.809 14.277 241 HB2 ASN 100 HB2 ASN 100 16.330 3.575 13.228 242 HB3 ASN 100 HB3 ASN 100 17.549 3.198 14.446 243 HD21 ASN 100 HD21 ASN 100 19.070 1.228 13.545 244 HD22 ASN 100 HD22 ASN 100 19.662 1.501 11.978 245 H SER 101 H SER 101 16.371 0.743 16.294 246 HA SER 101 HA SER 101 13.755 1.119 17.209 247 HB2 SER 101 HB2 SER 101 14.676 0.892 19.470 248 HB3 SER 101 HB3 SER 101 15.392 -0.299 18.391 249 HG SER 101 HG SER 101 17.186 0.538 19.134 250 H GLN 102 H GLN 102 16.206 3.382 16.559 251 HA GLN 102 HA GLN 102 15.696 5.403 18.434 252 HB2 GLN 102 HB2 GLN 102 17.606 5.398 16.830 253 HB3 GLN 102 HB3 GLN 102 16.471 5.757 15.528 254 HG2 GLN 102 HG2 GLN 102 15.821 7.843 16.620 255 HG3 GLN 102 HG3 GLN 102 16.866 7.479 17.992 256 HE21 GLN 102 HE21 GLN 102 17.415 9.856 16.735 257 HE22 GLN 102 HE22 GLN 102 18.815 9.728 15.780 258 H GLU 103 H GLU 103 13.938 4.410 15.560 259 HA GLU 103 HA GLU 103 12.390 6.731 15.160 260 HB2 GLU 103 HB2 GLU 103 12.487 4.849 13.557 261 HB3 GLU 103 HB3 GLU 103 11.626 3.829 14.708 262 HG2 GLU 103 HG2 GLU 103 9.682 5.310 14.618 263 HG3 GLU 103 HG3 GLU 103 10.542 6.411 13.544 264 H GLU 104 H GLU 104 11.852 3.878 17.221 265 HA GLU 104 HA GLU 104 9.305 4.689 18.185 266 HB2 GLU 104 HB2 GLU 104 11.389 2.793 19.283 267 HB3 GLU 104 HB3 GLU 104 9.815 3.041 20.042 268 HG2 GLU 104 HG2 GLU 104 8.665 2.296 18.046 269 HG3 GLU 104 HG3 GLU 104 10.179 2.226 17.146 270 H GLU 105 H GLU 105 12.607 5.154 19.325 271 HA GLU 105 HA GLU 105 11.937 6.413 21.781 272 HB2 GLU 105 HB2 GLU 105 14.442 6.493 20.091 273 HB3 GLU 105 HB3 GLU 105 14.307 7.266 21.672 274 HG2 GLU 105 HG2 GLU 105 13.833 5.144 22.739 275 HG3 GLU 105 HG3 GLU 105 13.754 4.328 21.178 276 H GLU 106 H GLU 106 12.464 7.590 18.505 277 HA GLU 106 HA GLU 106 12.613 10.339 19.054 278 HB2 GLU 106 HB2 GLU 106 13.132 9.332 16.848 279 HB3 GLU 106 HB3 GLU 106 11.419 8.980 16.624 280 HG2 GLU 106 HG2 GLU 106 10.884 11.368 16.734 281 HG3 GLU 106 HG3 GLU 106 12.575 11.752 17.043 282 H GLU 107 H GLU 107 9.810 8.251 18.376 283 HA GLU 107 HA GLU 107 7.878 10.318 18.478 284 HB2 GLU 107 HB2 GLU 107 7.489 8.024 17.552 285 HB3 GLU 107 HB3 GLU 107 7.481 7.405 19.203 286 HG2 GLU 107 HG2 GLU 107 5.185 7.793 18.489 287 HG3 GLU 107 HG3 GLU 107 5.603 8.966 19.735 288 H GLU 108 H GLU 108 9.235 8.197 20.958 289 HA GLU 108 HA GLU 108 7.525 8.964 23.074 290 HB2 GLU 108 HB2 GLU 108 8.980 6.963 23.143 291 HB3 GLU 108 HB3 GLU 108 10.396 8.012 23.226 292 HG2 GLU 108 HG2 GLU 108 9.584 8.976 25.334 293 HG3 GLU 108 HG3 GLU 108 8.129 7.988 25.241 294 H LEU 109 H LEU 109 10.613 10.258 21.925 295 HA LEU 109 HA LEU 109 11.029 12.109 24.007 296 HB2 LEU 109 HB2 LEU 109 11.928 12.046 21.129 297 HB3 LEU 109 HB3 LEU 109 12.436 13.309 22.244 298 HG LEU 109 HG LEU 109 12.780 10.352 22.825 299 HD11 LEU 109 HD11 LEU 109 15.093 10.574 22.088 300 HD12 LEU 109 HD12 LEU 109 14.839 12.277 21.699 301 HD13 LEU 109 HD13 LEU 109 14.021 11.026 20.767 302 HD21 LEU 109 HD21 LEU 109 14.683 11.472 24.283 303 HD22 LEU 109 HD22 LEU 109 13.031 11.478 24.873 304 HD23 LEU 109 HD23 LEU 109 13.701 12.921 24.119 305 H LEU 110 H LEU 110 9.266 12.369 20.952 306 HA LEU 110 HA LEU 110 8.739 15.138 21.129 307 HB2 LEU 110 HB2 LEU 110 7.674 12.823 19.590 308 HB3 LEU 110 HB3 LEU 110 6.584 14.199 19.728 309 HG LEU 110 HG LEU 110 8.484 15.666 18.913 310 HD11 LEU 110 HD11 LEU 110 10.234 13.899 19.518 311 HD12 LEU 110 HD12 LEU 110 10.418 14.664 17.943 312 HD13 LEU 110 HD13 LEU 110 9.728 13.047 18.060 313 HD21 LEU 110 HD21 LEU 110 6.725 15.020 17.387 314 HD22 LEU 110 HD22 LEU 110 7.445 13.428 17.158 315 HD23 LEU 110 HD23 LEU 110 8.262 14.863 16.538 316 H ARG 111 H ARG 111 6.921 12.312 22.267 317 HA ARG 111 HA ARG 111 4.674 13.702 23.223 318 HB2 ARG 111 HB2 ARG 111 4.765 11.249 22.959 319 HB3 ARG 111 HB3 ARG 111 5.898 11.157 24.309 320 HG2 ARG 111 HG2 ARG 111 4.251 12.044 25.840 321 HG3 ARG 111 HG3 ARG 111 3.137 12.385 24.516 322 HD2 ARG 111 HD2 ARG 111 2.475 10.313 25.635 323 HD3 ARG 111 HD3 ARG 111 3.032 9.960 24.003 324 HE ARG 111 HE ARG 111 5.113 9.762 25.999 325 HH11 ARG 111 HH21 ARG 111 2.499 8.186 24.372 326 HH12 ARG 111 HH22 ARG 111 3.103 6.588 24.657 327 HH21 ARG 111 HH11 ARG 111 5.910 7.670 26.382 328 HH22 ARG 111 HH12 ARG 111 5.034 6.295 25.796 329 H LYS 112 H LYS 112 7.743 12.872 24.767 330 HA LYS 112 HA LYS 112 7.129 13.811 27.353 331 HB2 LYS 112 HB2 LYS 112 9.086 12.385 26.845 332 HB3 LYS 112 HB3 LYS 112 9.828 13.734 25.981 333 HG2 LYS 112 HG2 LYS 112 9.825 15.082 28.038 334 HG3 LYS 112 HG3 LYS 112 9.029 13.770 28.907 335 HD2 LYS 112 HD2 LYS 112 10.952 12.308 28.520 336 HD3 LYS 112 HD3 LYS 112 11.743 13.567 27.572 337 HE2 LYS 112 HE2 LYS 112 12.627 13.550 29.865 338 HE3 LYS 112 HE3 LYS 112 11.744 15.047 29.560 339 HZ1 LYS 112 HZ1 LYS 112 11.229 13.910 31.713 340 HZ2 LYS 112 HZ2 LYS 112 10.503 12.665 30.814 341 HZ3 LYS 112 HZ3 LYS 112 9.882 14.245 30.738 342 H ALA 113 H ALA 113 8.426 15.429 24.489 343 HA ALA 113 HA ALA 113 9.124 17.876 25.680 344 HB1 ALA 113 HB1 ALA 113 8.028 17.512 22.882 345 HB2 ALA 113 HB2 ALA 113 9.688 17.126 23.336 346 HB3 ALA 113 HB3 ALA 113 9.105 18.785 23.453 347 H ILE 114 H ILE 114 6.045 16.703 24.376 348 HA ILE 114 HA ILE 114 4.630 19.146 24.591 349 HB ILE 114 HB ILE 114 3.601 16.301 24.746 350 HG12 ILE 114 HG12 ILE 114 4.830 16.736 22.676 351 HG13 ILE 114 HG13 ILE 114 3.112 16.631 22.338 352 HG21 ILE 114 HG21 ILE 114 1.913 17.808 25.584 353 HG22 ILE 114 HG22 ILE 114 1.471 17.375 23.933 354 HG23 ILE 114 HG23 ILE 114 2.205 18.945 24.264 355 HD11 ILE 114 HD11 ILE 114 3.657 18.541 21.140 356 HD12 ILE 114 HD12 ILE 114 4.920 19.019 22.269 357 HD13 ILE 114 HD13 ILE 114 3.228 19.274 22.675 358 H ALA 115 H ALA 115 5.026 16.419 26.831 359 HA ALA 115 HA ALA 115 3.311 17.380 28.849 360 HB1 ALA 115 HB1 ALA 115 4.621 15.884 30.350 361 HB2 ALA 115 HB2 ALA 115 5.771 15.628 29.037 362 HB3 ALA 115 HB3 ALA 115 4.100 15.088 28.865 363 H GLU 116 H GLU 116 6.765 17.891 28.252 364 HA GLU 116 HA GLU 116 7.303 19.349 30.616 365 HB2 GLU 116 HB2 GLU 116 9.060 18.364 29.176 366 HB3 GLU 116 HB3 GLU 116 8.685 19.548 27.928 367 HG2 GLU 116 HG2 GLU 116 9.377 20.425 30.737 368 HG3 GLU 116 HG3 GLU 116 10.641 20.060 29.571 369 H SER 117 H SER 117 6.269 20.344 27.379 370 HA SER 117 HA SER 117 6.482 23.125 27.752 371 HB2 SER 117 HB2 SER 117 4.600 21.521 26.007 372 HB3 SER 117 HB3 SER 117 4.815 23.265 25.899 373 HG SER 117 HG SER 117 6.723 21.214 25.458 374 H LEU 118 H LEU 118 3.865 20.847 28.454 375 HA LEU 118 HA LEU 118 1.910 22.760 29.170 376 HB2 LEU 118 HB2 LEU 118 2.308 19.877 29.988 377 HB3 LEU 118 HB3 LEU 118 0.891 20.821 30.437 378 HG LEU 118 HG LEU 118 1.817 20.410 27.577 379 HD11 LEU 118 HD11 LEU 118 -0.063 18.801 27.409 380 HD12 LEU 118 HD12 LEU 118 -0.349 18.970 29.142 381 HD13 LEU 118 HD13 LEU 118 1.160 18.266 28.561 382 HD21 LEU 118 HD21 LEU 118 -0.767 21.025 27.320 383 HD22 LEU 118 HD22 LEU 118 0.440 22.290 27.477 384 HD23 LEU 118 HD23 LEU 118 -0.514 21.804 28.876 385 H ASN 119 H ASN 119 4.463 21.155 31.004 386 HA ASN 119 HA ASN 119 3.621 22.236 33.533 387 HB2 ASN 119 HB2 ASN 119 6.194 20.926 32.637 388 HB3 ASN 119 HB3 ASN 119 5.859 21.406 34.300 389 HD21 ASN 119 HD21 ASN 119 3.377 20.586 34.884 390 HD22 ASN 119 HD22 ASN 119 3.145 18.936 34.563 391 H SER 120 H SER 120 5.376 23.415 30.858 392 HA SER 120 HA SER 120 6.887 25.403 32.357 393 HB2 SER 120 HB2 SER 120 7.912 24.430 30.371 394 HB3 SER 120 HB3 SER 120 6.558 24.965 29.380 395 HG SER 120 HG SER 120 7.152 27.062 29.714 396 H CYS 121 H CYS 121 6.646 27.691 31.989 397 HA CYS 121 HA CYS 121 3.900 28.519 32.061 398 HB2 CYS 121 HB2 CYS 121 5.623 29.636 33.416 399 HB3 CYS 121 HB3 CYS 121 6.435 30.170 31.944 400 HG CYS 121 HG CYS 121 3.745 31.287 33.012 401 H ARG 122 H ARG 122 2.711 29.569 30.530 402 HA ARG 122 HA ARG 122 3.405 29.166 27.822 403 HB2 ARG 122 HB2 ARG 122 1.211 30.774 29.121 404 HB3 ARG 122 HB3 ARG 122 1.354 30.577 27.378 405 HG2 ARG 122 HG2 ARG 122 1.231 28.140 27.620 406 HG3 ARG 122 HG3 ARG 122 1.138 28.306 29.373 407 HD2 ARG 122 HD2 ARG 122 -0.956 29.603 29.125 408 HD3 ARG 122 HD3 ARG 122 -0.870 29.395 27.378 409 HE ARG 122 HE ARG 122 -1.641 27.383 29.332 410 HH11 ARG 122 HH21 ARG 122 -0.521 28.091 26.135 411 HH12 ARG 122 HH22 ARG 122 -1.093 26.605 25.457 412 HH21 ARG 122 HH11 ARG 122 -2.392 25.431 28.450 413 HH22 ARG 122 HH12 ARG 122 -2.153 25.097 26.768 414 HA PRO 123 HA PRO 123 5.703 32.874 26.988 415 HB2 PRO 123 HB2 PRO 123 5.236 33.173 24.305 416 HB3 PRO 123 HB3 PRO 123 6.294 31.911 24.966 417 HG2 PRO 123 HG2 PRO 123 3.448 31.712 24.069 418 HG3 PRO 123 HG3 PRO 123 4.800 30.595 23.787 419 HD2 PRO 123 HD2 PRO 123 2.922 30.139 25.713 420 HD3 PRO 123 HD3 PRO 123 4.615 29.616 25.889 421 H SER 124 H SER 124 5.457 35.120 26.624 422 HA SER 124 HA SER 124 2.929 36.213 27.289 423 HB2 SER 124 HB2 SER 124 5.408 37.534 26.162 424 HB3 SER 124 HB3 SER 124 4.016 38.399 26.809 425 HG SER 124 HG SER 124 5.951 36.846 28.107 426 H ASP 125 H ASP 125 1.365 37.162 26.059 427 HA ASP 125 HA ASP 125 1.199 36.403 23.296 428 HB2 ASP 125 HB2 ASP 125 -0.773 36.525 24.820 429 HB3 ASP 125 HB3 ASP 125 -0.594 38.279 24.850 430 H ALA 126 H ALA 126 1.592 37.585 21.507 431 HA ALA 126 HA ALA 126 3.218 39.880 21.620 432 HB1 ALA 126 HB1 ALA 126 1.492 38.937 19.319 433 HB2 ALA 126 HB2 ALA 126 3.113 38.344 19.677 434 HB3 ALA 126 HB3 ALA 126 2.873 40.027 19.210 435 H SER 127 H SER 127 -0.271 39.478 21.297 436 HA SER 127 HA SER 127 -0.711 42.333 20.916 437 HB2 SER 127 HB2 SER 127 -2.638 40.030 21.278 438 HB3 SER 127 HB3 SER 127 -3.112 41.694 20.952 439 HG SER 127 HG SER 127 -2.672 41.349 18.936 440 H ALA 128 H ALA 128 -0.164 40.286 23.520 441 HA ALA 128 HA ALA 128 -0.111 40.754 25.781 442 HB1 ALA 128 HB1 ALA 128 -0.062 43.233 24.838 443 HB2 ALA 128 HB2 ALA 128 -0.374 42.928 26.547 444 HB3 ALA 128 HB3 ALA 128 -1.713 43.271 25.456 445 H THR 129 H THR 129 -2.767 40.320 23.843 446 HA THR 129 HA THR 129 -4.797 40.395 25.923 447 HB THR 129 HB THR 129 -6.302 39.601 24.163 448 HG1 THR 129 HG1 THR 129 -4.897 38.224 23.083 449 HG21 THR 129 HG21 THR 129 -4.426 41.700 23.047 450 HG22 THR 129 HG22 THR 129 -5.609 42.024 24.317 451 HG23 THR 129 HG23 THR 129 -6.149 41.521 22.715 452 H ARG 130 H ARG 130 -6.004 38.543 26.600 453 HA ARG 130 HA ARG 130 -4.323 36.227 27.049 454 HB2 ARG 130 HB2 ARG 130 -7.148 36.898 27.896 455 HB3 ARG 130 HB3 ARG 130 -6.308 35.414 28.355 456 HG2 ARG 130 HG2 ARG 130 -4.489 36.796 29.356 457 HG3 ARG 130 HG3 ARG 130 -5.419 38.246 28.979 458 HD2 ARG 130 HD2 ARG 130 -7.280 37.416 30.371 459 HD3 ARG 130 HD3 ARG 130 -6.351 35.967 30.747 460 HE ARG 130 HE ARG 130 -5.055 37.227 32.224 461 HH11 ARG 130 HH21 ARG 130 -7.027 39.233 30.212 462 HH12 ARG 130 HH22 ARG 130 -6.708 40.683 31.104 463 HH21 ARG 130 HH11 ARG 130 -4.630 39.125 33.403 464 HH22 ARG 130 HH12 ARG 130 -5.352 40.621 32.911 465 H SER 131 H SER 131 -4.619 34.174 26.259 466 HA SER 131 HA SER 131 -5.066 32.675 24.557 467 HB2 SER 131 HB2 SER 131 -6.937 32.248 26.050 468 HB3 SER 131 HB3 SER 131 -7.848 33.576 25.337 469 HG SER 131 HG SER 131 -8.095 31.221 24.576 Start of MODEL 5 1 H1 GLY -4 H1 GLY -4 13.991 -37.907 7.521 2 H2 GLY -4 H2 GLY -4 14.610 -36.335 7.699 3 H3 GLY -4 H3 GLY -4 15.223 -37.360 6.492 4 HA2 GLY -4 HA2 GLY -4 12.434 -37.144 6.170 5 HA3 GLY -4 HA3 GLY -4 13.142 -35.532 6.273 6 HA PRO -3 HA PRO -3 13.801 -37.531 2.008 7 HB2 PRO -3 HB2 PRO -3 12.186 -35.834 0.566 8 HB3 PRO -3 HB3 PRO -3 11.608 -37.349 1.288 9 HG2 PRO -3 HG2 PRO -3 11.369 -34.553 2.326 10 HG3 PRO -3 HG3 PRO -3 10.150 -35.841 2.275 11 HD2 PRO -3 HD2 PRO -3 11.516 -35.262 4.548 12 HD3 PRO -3 HD3 PRO -3 11.022 -36.925 4.152 13 H LEU -2 H LEU -2 13.790 -34.301 3.328 14 HA LEU -2 HA LEU -2 14.993 -32.399 2.829 15 HB2 LEU -2 HB2 LEU -2 16.693 -34.251 3.625 16 HB3 LEU -2 HB3 LEU -2 17.239 -34.200 1.951 17 HG LEU -2 HG LEU -2 17.290 -31.582 2.344 18 HD11 LEU -2 HD11 LEU -2 17.476 -32.688 5.166 19 HD12 LEU -2 HD12 LEU -2 16.268 -31.556 4.558 20 HD13 LEU -2 HD13 LEU -2 17.952 -31.056 4.703 21 HD21 LEU -2 HD21 LEU -2 19.286 -32.908 1.868 22 HD22 LEU -2 HD22 LEU -2 19.331 -33.490 3.533 23 HD23 LEU -2 HD23 LEU -2 19.634 -31.788 3.186 24 H GLY -1 H GLY -1 17.289 -32.586 0.841 25 HA2 GLY -1 HA2 GLY -1 17.638 -32.496 -1.468 26 HA3 GLY -1 HA3 GLY -1 15.939 -32.886 -1.725 27 H SER 0 H SER 0 18.279 -30.380 -1.452 28 HA SER 0 HA SER 0 16.591 -28.159 -0.985 29 HB2 SER 0 HB2 SER 0 18.429 -26.816 -1.857 30 HB3 SER 0 HB3 SER 0 19.058 -28.079 -0.801 31 HG SER 0 HG SER 0 19.642 -29.257 -2.601 32 H ARG 74 H ARG 74 17.140 -30.138 -3.755 33 HA ARG 74 HA ARG 74 16.428 -28.353 -5.817 34 HB2 ARG 74 HB2 ARG 74 17.485 -30.576 -6.182 35 HB3 ARG 74 HB3 ARG 74 15.969 -31.343 -5.712 36 HG2 ARG 74 HG2 ARG 74 14.800 -30.248 -7.562 37 HG3 ARG 74 HG3 ARG 74 16.273 -29.384 -8.007 38 HD2 ARG 74 HD2 ARG 74 17.397 -31.520 -8.476 39 HD3 ARG 74 HD3 ARG 74 15.946 -32.399 -8.000 40 HE ARG 74 HE ARG 74 14.977 -31.829 -10.046 41 HH11 ARG 74 HH21 ARG 74 17.879 -30.031 -9.466 42 HH12 ARG 74 HH22 ARG 74 17.959 -29.382 -11.070 43 HH21 ARG 74 HH11 ARG 74 15.080 -30.982 -12.151 44 HH22 ARG 74 HH12 ARG 74 16.376 -29.919 -12.589 45 H LYS 75 H LYS 75 14.504 -30.218 -3.547 46 HA LYS 75 HA LYS 75 12.024 -29.713 -4.975 47 HB2 LYS 75 HB2 LYS 75 12.449 -30.878 -2.219 48 HB3 LYS 75 HB3 LYS 75 10.972 -30.966 -3.177 49 HG2 LYS 75 HG2 LYS 75 13.631 -32.167 -4.014 50 HG3 LYS 75 HG3 LYS 75 12.328 -33.073 -3.250 51 HD2 LYS 75 HD2 LYS 75 10.833 -32.302 -5.166 52 HD3 LYS 75 HD3 LYS 75 12.300 -31.730 -5.962 53 HE2 LYS 75 HE2 LYS 75 11.790 -33.991 -6.731 54 HE3 LYS 75 HE3 LYS 75 13.270 -34.005 -5.773 55 HZ1 LYS 75 HZ1 LYS 75 11.108 -34.338 -4.036 56 HZ2 LYS 75 HZ2 LYS 75 12.333 -35.454 -4.412 57 HZ3 LYS 75 HZ3 LYS 75 10.898 -35.425 -5.323 58 H ILE 76 H ILE 76 13.956 -28.018 -2.911 59 HA ILE 76 HA ILE 76 11.813 -26.564 -1.544 60 HB ILE 76 HB ILE 76 14.801 -26.092 -1.497 61 HG12 ILE 76 HG12 ILE 76 14.291 -28.335 -0.676 62 HG13 ILE 76 HG13 ILE 76 14.702 -27.297 0.685 63 HG21 ILE 76 HG21 ILE 76 12.534 -25.134 0.273 64 HG22 ILE 76 HG22 ILE 76 13.525 -24.141 -0.796 65 HG23 ILE 76 HG23 ILE 76 14.246 -24.898 0.625 66 HD11 ILE 76 HD11 ILE 76 12.020 -28.401 -0.115 67 HD12 ILE 76 HD12 ILE 76 12.096 -26.906 0.818 68 HD13 ILE 76 HD13 ILE 76 12.790 -28.389 1.470 69 H ALA 77 H ALA 77 10.887 -24.800 -2.369 70 HA ALA 77 HA ALA 77 11.722 -23.720 -4.880 71 HB1 ALA 77 HB1 ALA 77 9.902 -22.106 -4.539 72 HB2 ALA 77 HB2 ALA 77 9.746 -22.627 -2.861 73 HB3 ALA 77 HB3 ALA 77 9.363 -23.744 -4.171 74 H GLN 78 H GLN 78 13.257 -22.259 -5.248 75 HA GLN 78 HA GLN 78 14.470 -20.800 -3.035 76 HB2 GLN 78 HB2 GLN 78 15.128 -20.959 -5.985 77 HB3 GLN 78 HB3 GLN 78 16.050 -20.015 -4.815 78 HG2 GLN 78 HG2 GLN 78 16.502 -22.049 -3.508 79 HG3 GLN 78 HG3 GLN 78 15.560 -23.003 -4.652 80 HE21 GLN 78 HE21 GLN 78 17.225 -24.270 -5.590 81 HE22 GLN 78 HE22 GLN 78 18.556 -23.605 -6.408 82 H MET 79 H MET 79 14.234 -18.671 -2.615 83 HA MET 79 HA MET 79 12.091 -17.243 -3.910 84 HB2 MET 79 HB2 MET 79 12.649 -15.449 -2.306 85 HB3 MET 79 HB3 MET 79 12.463 -17.008 -1.502 86 HG2 MET 79 HG2 MET 79 14.932 -17.310 -1.579 87 HG3 MET 79 HG3 MET 79 15.083 -15.703 -2.290 88 HE1 MET 79 HE1 MET 79 16.394 -15.589 1.402 89 HE2 MET 79 HE2 MET 79 16.693 -14.789 -0.140 90 HE3 MET 79 HE3 MET 79 16.634 -16.548 -0.067 91 H THR 80 H THR 80 12.243 -15.357 -5.149 92 HA THR 80 HA THR 80 14.649 -15.168 -6.755 93 HB THR 80 HB THR 80 13.380 -13.552 -8.073 94 HG1 THR 80 HG1 THR 80 12.179 -12.403 -6.728 95 HG21 THR 80 HG21 THR 80 11.669 -15.033 -8.842 96 HG22 THR 80 HG22 THR 80 11.521 -15.792 -7.257 97 HG23 THR 80 HG23 THR 80 12.965 -16.061 -8.232 98 H GLU 82 H GLU 82 15.598 -12.996 -7.228 99 HA GLU 82 HA GLU 82 16.605 -11.820 -4.875 100 HB2 GLU 82 HB2 GLU 82 17.785 -11.744 -7.042 101 HB3 GLU 82 HB3 GLU 82 16.536 -10.674 -7.679 102 HG2 GLU 82 HG2 GLU 82 17.084 -8.979 -6.007 103 HG3 GLU 82 HG3 GLU 82 18.267 -10.057 -5.268 104 H GLU 83 H GLU 83 14.060 -10.804 -7.121 105 HA GLU 83 HA GLU 83 13.491 -8.324 -5.889 106 HB2 GLU 83 HB2 GLU 83 12.729 -8.921 -8.164 107 HB3 GLU 83 HB3 GLU 83 11.633 -10.117 -7.472 108 HG2 GLU 83 HG2 GLU 83 10.441 -8.362 -6.249 109 HG3 GLU 83 HG3 GLU 83 11.574 -7.150 -6.845 110 H GLN 84 H GLN 84 12.192 -11.597 -5.379 111 HA GLN 84 HA GLN 84 10.153 -10.900 -3.593 112 HB2 GLN 84 HB2 GLN 84 10.341 -13.082 -4.730 113 HB3 GLN 84 HB3 GLN 84 11.770 -13.449 -3.764 114 HG2 GLN 84 HG2 GLN 84 9.800 -14.494 -2.784 115 HG3 GLN 84 HG3 GLN 84 10.421 -13.248 -1.712 116 HE21 GLN 84 HE21 GLN 84 7.898 -13.803 -4.211 117 HE22 GLN 84 HE22 GLN 84 6.818 -12.649 -3.590 118 H PHE 85 H PHE 85 13.553 -11.775 -3.085 119 HA PHE 85 HA PHE 85 13.499 -11.815 -0.269 120 HB2 PHE 85 HB2 PHE 85 15.373 -12.745 -1.505 121 HB3 PHE 85 HB3 PHE 85 15.766 -11.157 -2.166 122 HD1 PHE 85 HD1 PHE 85 15.357 -12.992 1.066 123 HD2 PHE 85 HD2 PHE 85 17.202 -9.703 -0.988 124 HE1 PHE 85 HE1 PHE 85 16.716 -12.501 3.079 125 HE2 PHE 85 HE2 PHE 85 18.564 -9.210 1.026 126 HZ PHE 85 HZ PHE 85 18.321 -10.609 3.059 127 H ALA 86 H ALA 86 14.320 -9.202 -2.544 128 HA ALA 86 HA ALA 86 14.870 -7.237 -0.598 129 HB1 ALA 86 HB1 ALA 86 14.730 -5.647 -2.378 130 HB2 ALA 86 HB2 ALA 86 13.707 -6.715 -3.339 131 HB3 ALA 86 HB3 ALA 86 15.403 -7.121 -3.075 132 H LEU 87 H LEU 87 11.869 -8.204 -2.203 133 HA LEU 87 HA LEU 87 10.229 -6.134 -1.241 134 HB2 LEU 87 HB2 LEU 87 9.535 -7.659 -3.042 135 HB3 LEU 87 HB3 LEU 87 9.495 -8.999 -1.899 136 HG LEU 87 HG LEU 87 7.731 -7.837 -0.599 137 HD11 LEU 87 HD11 LEU 87 8.013 -5.536 -0.916 138 HD12 LEU 87 HD12 LEU 87 6.633 -5.860 -1.962 139 HD13 LEU 87 HD13 LEU 87 8.245 -5.698 -2.658 140 HD21 LEU 87 HD21 LEU 87 7.128 -9.401 -2.425 141 HD22 LEU 87 HD22 LEU 87 7.111 -8.052 -3.561 142 HD23 LEU 87 HD23 LEU 87 5.932 -8.117 -2.251 143 H ALA 88 H ALA 88 11.062 -9.298 0.135 144 HA ALA 88 HA ALA 88 9.316 -9.228 2.335 145 HB1 ALA 88 HB1 ALA 88 10.423 -11.286 1.815 146 HB2 ALA 88 HB2 ALA 88 11.027 -10.778 3.393 147 HB3 ALA 88 HB3 ALA 88 12.013 -10.538 1.952 148 H LEU 89 H LEU 89 12.608 -7.982 1.922 149 HA LEU 89 HA LEU 89 12.967 -7.129 4.599 150 HB2 LEU 89 HB2 LEU 89 14.207 -6.196 2.006 151 HB3 LEU 89 HB3 LEU 89 14.720 -5.617 3.591 152 HG LEU 89 HG LEU 89 14.656 -8.543 2.794 153 HD11 LEU 89 HD11 LEU 89 16.322 -7.582 1.416 154 HD12 LEU 89 HD12 LEU 89 17.210 -8.206 2.806 155 HD13 LEU 89 HD13 LEU 89 16.860 -6.481 2.684 156 HD21 LEU 89 HD21 LEU 89 16.397 -8.468 4.828 157 HD22 LEU 89 HD22 LEU 89 14.666 -8.594 5.121 158 HD23 LEU 89 HD23 LEU 89 15.471 -7.032 5.267 159 H LYS 90 H LYS 90 11.645 -5.529 1.729 160 HA LYS 90 HA LYS 90 11.375 -2.952 2.853 161 HB2 LYS 90 HB2 LYS 90 9.852 -4.350 0.647 162 HB3 LYS 90 HB3 LYS 90 9.602 -2.657 1.075 163 HG2 LYS 90 HG2 LYS 90 11.976 -2.183 0.643 164 HG3 LYS 90 HG3 LYS 90 12.247 -3.876 0.234 165 HD2 LYS 90 HD2 LYS 90 10.664 -3.699 -1.635 166 HD3 LYS 90 HD3 LYS 90 10.340 -2.016 -1.217 167 HE2 LYS 90 HE2 LYS 90 11.971 -2.116 -3.042 168 HE3 LYS 90 HE3 LYS 90 12.740 -1.487 -1.585 169 HZ1 LYS 90 HZ1 LYS 90 12.795 -4.376 -2.136 170 HZ2 LYS 90 HZ2 LYS 90 13.883 -3.433 -1.234 171 HZ3 LYS 90 HZ3 LYS 90 13.890 -3.352 -2.932 172 H MET 91 H MET 91 9.230 -5.767 2.820 173 HA MET 91 HA MET 91 6.985 -4.502 3.979 174 HB2 MET 91 HB2 MET 91 6.908 -6.722 2.866 175 HB3 MET 91 HB3 MET 91 7.820 -7.403 4.211 176 HG2 MET 91 HG2 MET 91 6.030 -6.748 5.774 177 HG3 MET 91 HG3 MET 91 5.128 -6.029 4.443 178 HE1 MET 91 HE1 MET 91 7.155 -9.621 4.555 179 HE2 MET 91 HE2 MET 91 5.856 -10.400 5.454 180 HE3 MET 91 HE3 MET 91 6.622 -8.957 6.106 181 H SER 92 H SER 92 9.761 -6.204 5.389 182 HA SER 92 HA SER 92 8.887 -6.140 8.070 183 HB2 SER 92 HB2 SER 92 11.249 -6.518 8.638 184 HB3 SER 92 HB3 SER 92 10.743 -7.554 7.307 185 HG SER 92 HG SER 92 12.804 -6.154 7.219 186 H GLU 93 H GLU 93 10.743 -3.804 6.139 187 HA GLU 93 HA GLU 93 11.311 -2.028 8.283 188 HB2 GLU 93 HB2 GLU 93 11.270 -1.759 5.287 189 HB3 GLU 93 HB3 GLU 93 11.474 -0.326 6.292 190 HG2 GLU 93 HG2 GLU 93 13.653 -1.311 5.625 191 HG3 GLU 93 HG3 GLU 93 13.430 -1.319 7.372 192 H GLN 94 H GLN 94 8.595 -2.287 6.026 193 HA GLN 94 HA GLN 94 7.317 0.133 6.755 194 HB2 GLN 94 HB2 GLN 94 6.259 -2.441 5.574 195 HB3 GLN 94 HB3 GLN 94 5.261 -1.007 5.814 196 HG2 GLN 94 HG2 GLN 94 6.662 0.304 4.354 197 HG3 GLN 94 HG3 GLN 94 7.854 -0.990 4.252 198 HE21 GLN 94 HE21 GLN 94 6.275 0.258 2.022 199 HE22 GLN 94 HE22 GLN 94 5.430 -1.023 1.296 200 H GLU 95 H GLU 95 7.143 -3.154 8.034 201 HA GLU 95 HA GLU 95 5.111 -2.402 10.000 202 HB2 GLU 95 HB2 GLU 95 6.550 -5.007 9.446 203 HB3 GLU 95 HB3 GLU 95 5.318 -4.795 10.691 204 HG2 GLU 95 HG2 GLU 95 3.693 -4.097 8.980 205 HG3 GLU 95 HG3 GLU 95 4.921 -4.281 7.730 206 H ALA 96 H ALA 96 8.473 -2.338 9.724 207 HA ALA 96 HA ALA 96 10.116 -1.754 11.217 208 HB1 ALA 96 HB1 ALA 96 8.136 -1.689 13.479 209 HB2 ALA 96 HB2 ALA 96 8.082 -0.445 12.231 210 HB3 ALA 96 HB3 ALA 96 9.541 -0.663 13.195 211 H ARG 97 H ARG 97 7.709 -3.941 12.673 212 HA ARG 97 HA ARG 97 9.821 -5.914 13.176 213 HB2 ARG 97 HB2 ARG 97 7.936 -4.927 15.331 214 HB3 ARG 97 HB3 ARG 97 9.085 -6.256 15.491 215 HG2 ARG 97 HG2 ARG 97 10.930 -4.643 14.940 216 HG3 ARG 97 HG3 ARG 97 9.740 -3.341 14.980 217 HD2 ARG 97 HD2 ARG 97 10.794 -3.427 17.149 218 HD3 ARG 97 HD3 ARG 97 9.156 -4.052 17.326 219 HE ARG 97 HE ARG 97 10.955 -6.184 16.785 220 HH11 ARG 97 HH21 ARG 97 10.023 -3.913 19.223 221 HH12 ARG 97 HH22 ARG 97 10.464 -4.941 20.544 222 HH21 ARG 97 HH11 ARG 97 11.534 -7.538 18.510 223 HH22 ARG 97 HH12 ARG 97 11.321 -6.996 20.141 224 H GLU 98 H GLU 98 8.302 -7.686 14.667 225 HA GLU 98 HA GLU 98 6.833 -9.034 12.680 226 HB2 GLU 98 HB2 GLU 98 6.860 -9.322 15.692 227 HB3 GLU 98 HB3 GLU 98 6.014 -10.432 14.613 228 HG2 GLU 98 HG2 GLU 98 8.960 -9.790 14.349 229 HG3 GLU 98 HG3 GLU 98 8.352 -11.161 15.275 230 H VAL 99 H VAL 99 5.830 -6.906 15.319 231 HA VAL 99 HA VAL 99 3.012 -7.266 14.833 232 HB VAL 99 HB VAL 99 4.219 -4.919 16.285 233 HG11 VAL 99 HG11 VAL 99 1.743 -6.588 16.819 234 HG12 VAL 99 HG12 VAL 99 1.745 -5.087 15.894 235 HG13 VAL 99 HG13 VAL 99 2.185 -5.071 17.602 236 HG21 VAL 99 HG21 VAL 99 4.021 -7.807 17.182 237 HG22 VAL 99 HG22 VAL 99 4.086 -6.474 18.333 238 HG23 VAL 99 HG23 VAL 99 5.432 -6.752 17.228 239 H ASN 100 H ASN 100 1.581 -5.675 13.988 240 HA ASN 100 HA ASN 100 2.668 -4.263 11.726 241 HB2 ASN 100 HB2 ASN 100 -0.111 -4.218 12.926 242 HB3 ASN 100 HB3 ASN 100 0.341 -3.558 11.355 243 HD21 ASN 100 HD21 ASN 100 -1.324 -6.063 12.414 244 HD22 ASN 100 HD22 ASN 100 -0.798 -7.294 11.372 245 H SER 101 H SER 101 3.409 -2.263 11.710 246 HA SER 101 HA SER 101 3.593 -0.630 14.002 247 HB2 SER 101 HB2 SER 101 4.456 1.081 12.483 248 HB3 SER 101 HB3 SER 101 5.154 -0.487 12.085 249 HG SER 101 HG SER 101 4.068 1.021 10.396 250 H GLN 102 H GLN 102 1.255 -0.833 11.394 251 HA GLN 102 HA GLN 102 -0.063 1.628 11.798 252 HB2 GLN 102 HB2 GLN 102 -0.402 0.166 9.819 253 HB3 GLN 102 HB3 GLN 102 -1.241 -0.996 10.846 254 HG2 GLN 102 HG2 GLN 102 -2.947 0.662 11.392 255 HG3 GLN 102 HG3 GLN 102 -2.085 1.891 10.468 256 HE21 GLN 102 HE21 GLN 102 -4.677 1.426 9.658 257 HE22 GLN 102 HE22 GLN 102 -4.702 0.536 8.212 258 H GLU 103 H GLU 103 -0.522 -1.579 13.227 259 HA GLU 103 HA GLU 103 -2.814 -0.955 14.769 260 HB2 GLU 103 HB2 GLU 103 -0.649 -3.039 15.099 261 HB3 GLU 103 HB3 GLU 103 -2.066 -2.944 16.145 262 HG2 GLU 103 HG2 GLU 103 -3.556 -3.273 14.274 263 HG3 GLU 103 HG3 GLU 103 -2.222 -3.148 13.128 264 H GLU 104 H GLU 104 0.655 -0.715 15.392 265 HA GLU 104 HA GLU 104 0.499 -0.063 18.138 266 HB2 GLU 104 HB2 GLU 104 2.567 0.604 16.031 267 HB3 GLU 104 HB3 GLU 104 2.779 0.936 17.750 268 HG2 GLU 104 HG2 GLU 104 2.158 -1.813 16.639 269 HG3 GLU 104 HG3 GLU 104 3.790 -1.246 16.985 270 H GLU 105 H GLU 105 0.439 1.929 15.209 271 HA GLU 105 HA GLU 105 0.528 4.448 16.491 272 HB2 GLU 105 HB2 GLU 105 -0.629 3.590 13.832 273 HB3 GLU 105 HB3 GLU 105 -0.526 5.271 14.353 274 HG2 GLU 105 HG2 GLU 105 1.865 3.417 14.256 275 HG3 GLU 105 HG3 GLU 105 1.413 4.482 12.925 276 H GLU 106 H GLU 106 -2.157 2.321 15.596 277 HA GLU 106 HA GLU 106 -4.255 4.097 16.249 278 HB2 GLU 106 HB2 GLU 106 -4.119 1.078 16.192 279 HB3 GLU 106 HB3 GLU 106 -5.611 1.978 16.476 280 HG2 GLU 106 HG2 GLU 106 -5.382 3.108 14.323 281 HG3 GLU 106 HG3 GLU 106 -3.833 2.314 14.045 282 H GLU 107 H GLU 107 -2.443 1.743 18.166 283 HA GLU 107 HA GLU 107 -4.009 1.866 20.507 284 HB2 GLU 107 HB2 GLU 107 -1.084 1.241 20.069 285 HB3 GLU 107 HB3 GLU 107 -1.880 1.092 21.636 286 HG2 GLU 107 HG2 GLU 107 -3.448 -0.531 20.750 287 HG3 GLU 107 HG3 GLU 107 -2.833 -0.292 19.115 288 H GLU 108 H GLU 108 -1.277 3.819 19.384 289 HA GLU 108 HA GLU 108 -0.894 5.308 21.755 290 HB2 GLU 108 HB2 GLU 108 -0.329 5.949 18.856 291 HB3 GLU 108 HB3 GLU 108 0.160 6.992 20.191 292 HG2 GLU 108 HG2 GLU 108 1.510 5.222 21.153 293 HG3 GLU 108 HG3 GLU 108 0.918 4.068 19.960 294 H LEU 109 H LEU 109 -2.952 5.849 18.915 295 HA LEU 109 HA LEU 109 -3.880 8.413 19.703 296 HB2 LEU 109 HB2 LEU 109 -4.733 6.346 17.716 297 HB3 LEU 109 HB3 LEU 109 -5.925 7.562 18.160 298 HG LEU 109 HG LEU 109 -4.216 9.335 17.607 299 HD11 LEU 109 HD11 LEU 109 -2.719 7.046 16.309 300 HD12 LEU 109 HD12 LEU 109 -2.237 7.775 17.842 301 HD13 LEU 109 HD13 LEU 109 -2.238 8.740 16.366 302 HD21 LEU 109 HD21 LEU 109 -5.092 7.365 15.481 303 HD22 LEU 109 HD22 LEU 109 -4.384 8.935 15.105 304 HD23 LEU 109 HD23 LEU 109 -5.914 8.844 15.978 305 H LEU 110 H LEU 110 -5.028 5.132 20.350 306 HA LEU 110 HA LEU 110 -7.492 5.814 21.530 307 HB2 LEU 110 HB2 LEU 110 -6.914 3.514 20.887 308 HB3 LEU 110 HB3 LEU 110 -5.665 3.470 22.130 309 HG LEU 110 HG LEU 110 -7.398 3.794 23.877 310 HD11 LEU 110 HD11 LEU 110 -9.176 3.975 21.447 311 HD12 LEU 110 HD12 LEU 110 -9.168 4.979 22.899 312 HD13 LEU 110 HD13 LEU 110 -9.829 3.347 22.963 313 HD21 LEU 110 HD21 LEU 110 -7.760 1.518 21.915 314 HD22 LEU 110 HD22 LEU 110 -8.582 1.566 23.473 315 HD23 LEU 110 HD23 LEU 110 -6.820 1.521 23.407 316 H ARG 111 H ARG 111 -4.262 5.374 22.954 317 HA ARG 111 HA ARG 111 -5.004 5.773 25.638 318 HB2 ARG 111 HB2 ARG 111 -2.405 6.288 24.181 319 HB3 ARG 111 HB3 ARG 111 -2.584 6.445 25.929 320 HG2 ARG 111 HG2 ARG 111 -3.322 4.099 26.074 321 HG3 ARG 111 HG3 ARG 111 -3.157 3.937 24.326 322 HD2 ARG 111 HD2 ARG 111 -0.752 4.459 24.504 323 HD3 ARG 111 HD3 ARG 111 -0.915 4.621 26.250 324 HE ARG 111 HE ARG 111 -0.865 2.141 24.733 325 HH11 ARG 111 HH21 ARG 111 -1.704 3.770 27.670 326 HH12 ARG 111 HH22 ARG 111 -1.686 2.331 28.635 327 HH21 ARG 111 HH11 ARG 111 -0.839 0.251 25.993 328 HH22 ARG 111 HH12 ARG 111 -1.195 0.339 27.685 329 H LYS 112 H LYS 112 -4.084 8.046 23.091 330 HA LYS 112 HA LYS 112 -3.986 10.358 24.714 331 HB2 LYS 112 HB2 LYS 112 -3.156 10.119 22.307 332 HB3 LYS 112 HB3 LYS 112 -4.837 10.319 21.814 333 HG2 LYS 112 HG2 LYS 112 -4.113 12.538 21.751 334 HG3 LYS 112 HG3 LYS 112 -4.743 12.446 23.392 335 HD2 LYS 112 HD2 LYS 112 -2.648 13.412 23.772 336 HD3 LYS 112 HD3 LYS 112 -2.266 11.707 23.988 337 HE2 LYS 112 HE2 LYS 112 -1.596 11.631 21.553 338 HE3 LYS 112 HE3 LYS 112 -1.805 13.380 21.503 339 HZ1 LYS 112 HZ1 LYS 112 0.362 11.862 22.526 340 HZ2 LYS 112 HZ2 LYS 112 -0.272 12.877 23.731 341 HZ3 LYS 112 HZ3 LYS 112 0.258 13.533 22.257 342 H ALA 113 H ALA 113 -6.626 8.716 23.041 343 HA ALA 113 HA ALA 113 -8.597 10.695 23.331 344 HB1 ALA 113 HB1 ALA 113 -9.055 7.707 23.465 345 HB2 ALA 113 HB2 ALA 113 -8.784 8.584 21.959 346 HB3 ALA 113 HB3 ALA 113 -10.202 8.942 22.945 347 H ILE 114 H ILE 114 -7.582 8.070 25.514 348 HA ILE 114 HA ILE 114 -9.553 8.573 27.497 349 HB ILE 114 HB ILE 114 -6.839 7.250 27.568 350 HG12 ILE 114 HG12 ILE 114 -8.390 5.287 28.250 351 HG13 ILE 114 HG13 ILE 114 -9.715 6.307 27.701 352 HG21 ILE 114 HG21 ILE 114 -6.958 8.139 29.760 353 HG22 ILE 114 HG22 ILE 114 -7.569 6.492 29.918 354 HG23 ILE 114 HG23 ILE 114 -8.695 7.849 29.873 355 HD11 ILE 114 HD11 ILE 114 -8.868 4.746 25.941 356 HD12 ILE 114 HD12 ILE 114 -7.309 5.567 26.018 357 HD13 ILE 114 HD13 ILE 114 -8.744 6.442 25.476 358 H ALA 115 H ALA 115 -6.215 9.753 27.126 359 HA ALA 115 HA ALA 115 -6.162 11.323 29.475 360 HB1 ALA 115 HB1 ALA 115 -4.614 11.510 26.890 361 HB2 ALA 115 HB2 ALA 115 -4.083 10.820 28.423 362 HB3 ALA 115 HB3 ALA 115 -4.308 12.563 28.271 363 H GLU 116 H GLU 116 -7.202 12.024 26.186 364 HA GLU 116 HA GLU 116 -7.525 14.807 26.450 365 HB2 GLU 116 HB2 GLU 116 -7.533 13.602 24.280 366 HB3 GLU 116 HB3 GLU 116 -9.107 12.920 24.690 367 HG2 GLU 116 HG2 GLU 116 -10.082 15.158 24.824 368 HG3 GLU 116 HG3 GLU 116 -8.506 15.886 24.516 369 H SER 117 H SER 117 -9.605 12.108 27.344 370 HA SER 117 HA SER 117 -12.008 13.515 27.687 371 HB2 SER 117 HB2 SER 117 -12.716 11.679 29.077 372 HB3 SER 117 HB3 SER 117 -11.738 11.018 27.771 373 HG SER 117 HG SER 117 -11.352 10.836 30.395 374 H LEU 118 H LEU 118 -9.166 13.201 29.755 375 HA LEU 118 HA LEU 118 -10.344 14.327 32.094 376 HB2 LEU 118 HB2 LEU 118 -7.515 13.913 31.154 377 HB3 LEU 118 HB3 LEU 118 -7.836 14.819 32.628 378 HG LEU 118 HG LEU 118 -7.417 12.353 32.989 379 HD11 LEU 118 HD11 LEU 118 -8.864 12.262 34.778 380 HD12 LEU 118 HD12 LEU 118 -10.255 12.804 33.843 381 HD13 LEU 118 HD13 LEU 118 -9.051 13.971 34.391 382 HD21 LEU 118 HD21 LEU 118 -8.694 11.750 30.846 383 HD22 LEU 118 HD22 LEU 118 -10.165 11.964 31.793 384 HD23 LEU 118 HD23 LEU 118 -8.992 10.731 32.253 385 H ASN 119 H ASN 119 -8.656 15.704 29.306 386 HA ASN 119 HA ASN 119 -8.669 18.383 30.435 387 HB2 ASN 119 HB2 ASN 119 -7.870 17.275 27.739 388 HB3 ASN 119 HB3 ASN 119 -7.786 18.988 28.147 389 HD21 ASN 119 HD21 ASN 119 -5.464 17.272 27.554 390 HD22 ASN 119 HD22 ASN 119 -4.511 17.247 28.957 391 H SER 120 H SER 120 -10.787 16.427 28.584 392 HA SER 120 HA SER 120 -12.227 18.672 27.395 393 HB2 SER 120 HB2 SER 120 -12.710 15.692 27.343 394 HB3 SER 120 HB3 SER 120 -13.748 16.868 26.547 395 HG SER 120 HG SER 120 -10.951 16.767 26.125 396 H CYS 121 H CYS 121 -14.513 18.994 27.781 397 HA CYS 121 HA CYS 121 -15.143 18.983 30.590 398 HB2 CYS 121 HB2 CYS 121 -17.120 20.193 29.967 399 HB3 CYS 121 HB3 CYS 121 -15.809 20.790 28.949 400 HG CYS 121 HG CYS 121 -18.287 19.362 27.949 401 H ARG 122 H ARG 122 -17.335 18.165 31.333 402 HA ARG 122 HA ARG 122 -17.461 15.401 31.059 403 HB2 ARG 122 HB2 ARG 122 -19.740 15.649 32.150 404 HB3 ARG 122 HB3 ARG 122 -18.394 16.401 33.008 405 HG2 ARG 122 HG2 ARG 122 -18.960 18.581 32.012 406 HG3 ARG 122 HG3 ARG 122 -20.298 17.838 31.135 407 HD2 ARG 122 HD2 ARG 122 -21.378 17.220 33.239 408 HD3 ARG 122 HD3 ARG 122 -20.019 17.864 34.153 409 HE ARG 122 HE ARG 122 -21.038 19.908 32.497 410 HH11 ARG 122 HH21 ARG 122 -21.914 17.954 35.218 411 HH12 ARG 122 HH22 ARG 122 -22.920 19.167 35.939 412 HH21 ARG 122 HH11 ARG 122 -22.350 21.503 33.441 413 HH22 ARG 122 HH12 ARG 122 -23.165 21.175 34.933 414 HA PRO 123 HA PRO 123 -19.624 14.631 27.221 415 HB2 PRO 123 HB2 PRO 123 -21.371 12.748 28.786 416 HB3 PRO 123 HB3 PRO 123 -20.472 12.464 27.279 417 HG2 PRO 123 HG2 PRO 123 -19.577 11.494 29.561 418 HG3 PRO 123 HG3 PRO 123 -18.451 12.204 28.387 419 HD2 PRO 123 HD2 PRO 123 -19.493 13.382 30.953 420 HD3 PRO 123 HD3 PRO 123 -17.872 13.479 30.229 421 H SER 124 H SER 124 -21.413 15.429 26.150 422 HA SER 124 HA SER 124 -23.188 17.170 27.563 423 HB2 SER 124 HB2 SER 124 -24.155 17.633 25.402 424 HB3 SER 124 HB3 SER 124 -22.408 17.525 25.202 425 HG SER 124 HG SER 124 -22.771 15.960 23.862 426 H ASP 125 H ASP 125 -25.548 17.023 27.485 427 HA ASP 125 HA ASP 125 -26.480 14.501 28.434 428 HB2 ASP 125 HB2 ASP 125 -27.391 16.741 29.118 429 HB3 ASP 125 HB3 ASP 125 -28.147 16.858 27.529 430 H ALA 126 H ALA 126 -27.317 12.828 27.358 431 HA ALA 126 HA ALA 126 -27.260 12.640 24.554 432 HB1 ALA 126 HB1 ALA 126 -28.872 10.964 26.494 433 HB2 ALA 126 HB2 ALA 126 -27.181 10.689 26.077 434 HB3 ALA 126 HB3 ALA 126 -28.430 10.519 24.846 435 H SER 127 H SER 127 -29.845 13.506 26.783 436 HA SER 127 HA SER 127 -31.912 13.459 24.784 437 HB2 SER 127 HB2 SER 127 -33.320 14.413 26.511 438 HB3 SER 127 HB3 SER 127 -32.341 13.129 27.215 439 HG SER 127 HG SER 127 -31.403 15.780 27.208 440 H ALA 128 H ALA 128 -29.401 15.599 25.514 441 HA ALA 128 HA ALA 128 -28.814 17.589 24.513 442 HB1 ALA 128 HB1 ALA 128 -30.450 16.646 22.653 443 HB2 ALA 128 HB2 ALA 128 -29.918 18.326 22.610 444 HB3 ALA 128 HB3 ALA 128 -31.513 17.923 23.242 445 H THR 129 H THR 129 -30.953 17.050 26.840 446 HA THR 129 HA THR 129 -32.157 19.657 27.130 447 HB THR 129 HB THR 129 -32.967 18.805 29.270 448 HG1 THR 129 HG1 THR 129 -31.359 16.542 28.695 449 HG21 THR 129 HG21 THR 129 -33.085 16.879 26.941 450 HG22 THR 129 HG22 THR 129 -34.271 18.103 27.394 451 HG23 THR 129 HG23 THR 129 -34.054 16.671 28.400 452 H ARG 130 H ARG 130 -31.718 21.123 28.880 453 HA ARG 130 HA ARG 130 -28.916 21.574 29.265 454 HB2 ARG 130 HB2 ARG 130 -31.456 22.937 30.082 455 HB3 ARG 130 HB3 ARG 130 -29.985 23.349 30.961 456 HG2 ARG 130 HG2 ARG 130 -30.278 24.891 29.090 457 HG3 ARG 130 HG3 ARG 130 -28.871 23.870 28.794 458 HD2 ARG 130 HD2 ARG 130 -30.242 22.404 27.356 459 HD3 ARG 130 HD3 ARG 130 -31.645 23.426 27.652 460 HE ARG 130 HE ARG 130 -30.760 24.994 26.169 461 HH11 ARG 130 HH21 ARG 130 -28.421 22.588 27.021 462 HH12 ARG 130 HH22 ARG 130 -27.271 23.086 25.826 463 HH21 ARG 130 HH11 ARG 130 -29.252 25.652 24.599 464 HH22 ARG 130 HH12 ARG 130 -27.741 24.818 24.457 465 H SER 131 H SER 131 -27.671 21.307 31.072 466 HA SER 131 HA SER 131 -28.193 19.172 32.795 467 HB2 SER 131 HB2 SER 131 -25.955 20.329 32.251 468 HB3 SER 131 HB3 SER 131 -26.380 21.468 33.526 469 HG SER 131 HG SER 131 -26.762 19.451 34.802 Start of MODEL 6 1 H1 GLY -4 H1 GLY -4 5.421 -37.779 -3.716 2 H2 GLY -4 H2 GLY -4 5.086 -36.200 -3.189 3 H3 GLY -4 H3 GLY -4 6.056 -36.453 -4.560 4 HA2 GLY -4 HA2 GLY -4 3.768 -37.783 -5.174 5 HA3 GLY -4 HA3 GLY -4 3.206 -36.333 -4.342 6 HA PRO -3 HA PRO -3 4.029 -35.440 -8.905 7 HB2 PRO -3 HB2 PRO -3 1.540 -33.847 -8.376 8 HB3 PRO -3 HB3 PRO -3 1.956 -34.861 -9.776 9 HG2 PRO -3 HG2 PRO -3 0.219 -35.721 -7.977 10 HG3 PRO -3 HG3 PRO -3 1.411 -36.830 -8.679 11 HD2 PRO -3 HD2 PRO -3 1.416 -35.515 -5.974 12 HD3 PRO -3 HD3 PRO -3 1.887 -37.172 -6.420 13 H LEU -2 H LEU -2 3.004 -33.332 -6.238 14 HA LEU -2 HA LEU -2 4.760 -31.177 -7.285 15 HB2 LEU -2 HB2 LEU -2 3.339 -29.629 -6.027 16 HB3 LEU -2 HB3 LEU -2 2.398 -30.557 -7.196 17 HG LEU -2 HG LEU -2 2.245 -32.190 -4.944 18 HD11 LEU -2 HD11 LEU -2 3.372 -30.241 -3.697 19 HD12 LEU -2 HD12 LEU -2 1.891 -30.891 -2.992 20 HD13 LEU -2 HD13 LEU -2 1.848 -29.381 -3.903 21 HD21 LEU -2 HD21 LEU -2 0.347 -29.935 -5.679 22 HD22 LEU -2 HD22 LEU -2 -0.063 -31.362 -4.727 23 HD23 LEU -2 HD23 LEU -2 0.376 -31.532 -6.427 24 H GLY -1 H GLY -1 5.980 -29.987 -5.772 25 HA2 GLY -1 HA2 GLY -1 6.164 -30.435 -3.029 26 HA3 GLY -1 HA3 GLY -1 7.262 -31.571 -3.806 27 H SER 0 H SER 0 9.015 -30.443 -2.764 28 HA SER 0 HA SER 0 9.571 -27.704 -3.090 29 HB2 SER 0 HB2 SER 0 10.722 -29.144 -1.448 30 HB3 SER 0 HB3 SER 0 11.515 -30.000 -2.767 31 HG SER 0 HG SER 0 12.668 -28.213 -3.243 32 H ARG 74 H ARG 74 10.103 -30.463 -5.176 33 HA ARG 74 HA ARG 74 11.951 -29.224 -6.952 34 HB2 ARG 74 HB2 ARG 74 11.609 -31.677 -6.826 35 HB3 ARG 74 HB3 ARG 74 9.999 -31.467 -7.514 36 HG2 ARG 74 HG2 ARG 74 10.956 -30.502 -9.550 37 HG3 ARG 74 HG3 ARG 74 12.577 -30.603 -8.860 38 HD2 ARG 74 HD2 ARG 74 12.388 -33.049 -8.734 39 HD3 ARG 74 HD3 ARG 74 10.753 -32.965 -9.385 40 HE ARG 74 HE ARG 74 11.659 -32.603 -11.505 41 HH11 ARG 74 HH21 ARG 74 14.043 -32.267 -9.022 42 HH12 ARG 74 HH22 ARG 74 15.380 -32.198 -10.122 43 HH21 ARG 74 HH11 ARG 74 13.406 -32.513 -12.955 44 HH22 ARG 74 HH12 ARG 74 15.019 -32.338 -12.350 45 H LYS 75 H LYS 75 8.434 -29.288 -6.723 46 HA LYS 75 HA LYS 75 8.106 -27.996 -9.307 47 HB2 LYS 75 HB2 LYS 75 6.488 -29.696 -8.390 48 HB3 LYS 75 HB3 LYS 75 6.021 -28.496 -7.186 49 HG2 LYS 75 HG2 LYS 75 5.296 -26.955 -8.913 50 HG3 LYS 75 HG3 LYS 75 5.895 -28.029 -10.177 51 HD2 LYS 75 HD2 LYS 75 4.282 -29.750 -9.508 52 HD3 LYS 75 HD3 LYS 75 3.704 -28.719 -8.197 53 HE2 LYS 75 HE2 LYS 75 2.188 -28.509 -10.095 54 HE3 LYS 75 HE3 LYS 75 3.070 -26.995 -9.892 55 HZ1 LYS 75 HZ1 LYS 75 3.496 -29.113 -11.910 56 HZ2 LYS 75 HZ2 LYS 75 4.701 -27.968 -11.556 57 HZ3 LYS 75 HZ3 LYS 75 3.196 -27.461 -12.158 58 H ILE 76 H ILE 76 8.709 -27.063 -6.168 59 HA ILE 76 HA ILE 76 7.437 -24.429 -6.402 60 HB ILE 76 HB ILE 76 9.107 -25.691 -4.219 61 HG12 ILE 76 HG12 ILE 76 6.220 -24.772 -4.204 62 HG13 ILE 76 HG13 ILE 76 6.694 -26.421 -4.607 63 HG21 ILE 76 HG21 ILE 76 8.313 -23.614 -2.923 64 HG22 ILE 76 HG22 ILE 76 7.969 -22.903 -4.501 65 HG23 ILE 76 HG23 ILE 76 9.617 -23.370 -4.086 66 HD11 ILE 76 HD11 ILE 76 6.066 -25.835 -2.124 67 HD12 ILE 76 HD12 ILE 76 7.700 -25.175 -2.058 68 HD13 ILE 76 HD13 ILE 76 7.449 -26.879 -2.441 69 H ALA 77 H ALA 77 8.393 -22.747 -7.307 70 HA ALA 77 HA ALA 77 11.090 -22.857 -8.256 71 HB1 ALA 77 HB1 ALA 77 10.680 -20.520 -8.957 72 HB2 ALA 77 HB2 ALA 77 9.151 -20.541 -8.081 73 HB3 ALA 77 HB3 ALA 77 9.386 -21.601 -9.470 74 H GLN 78 H GLN 78 12.885 -21.673 -7.573 75 HA GLN 78 HA GLN 78 13.097 -21.259 -4.747 76 HB2 GLN 78 HB2 GLN 78 14.974 -20.662 -7.039 77 HB3 GLN 78 HB3 GLN 78 15.392 -20.414 -5.345 78 HG2 GLN 78 HG2 GLN 78 16.219 -22.584 -5.935 79 HG3 GLN 78 HG3 GLN 78 14.778 -22.851 -4.955 80 HE21 GLN 78 HE21 GLN 78 13.714 -24.628 -5.843 81 HE22 GLN 78 HE22 GLN 78 13.416 -24.848 -7.500 82 H MET 79 H MET 79 13.539 -19.298 -3.644 83 HA MET 79 HA MET 79 11.933 -17.108 -4.453 84 HB2 MET 79 HB2 MET 79 14.134 -17.235 -2.376 85 HB3 MET 79 HB3 MET 79 12.923 -15.959 -2.507 86 HG2 MET 79 HG2 MET 79 12.252 -18.891 -2.129 87 HG3 MET 79 HG3 MET 79 12.358 -17.731 -0.804 88 HE1 MET 79 HE1 MET 79 9.395 -15.520 -1.002 89 HE2 MET 79 HE2 MET 79 11.077 -15.156 -1.372 90 HE3 MET 79 HE3 MET 79 10.692 -16.257 -0.052 91 H THR 80 H THR 80 12.374 -15.392 -5.693 92 HA THR 80 HA THR 80 14.981 -15.190 -6.960 93 HB THR 80 HB THR 80 13.946 -13.493 -8.354 94 HG1 THR 80 HG1 THR 80 12.614 -12.348 -7.161 95 HG21 THR 80 HG21 THR 80 12.244 -14.848 -9.384 96 HG22 THR 80 HG22 THR 80 11.944 -15.712 -7.875 97 HG23 THR 80 HG23 THR 80 13.464 -15.945 -8.738 98 H GLU 82 H GLU 82 15.960 -12.971 -7.194 99 HA GLU 82 HA GLU 82 16.705 -11.971 -4.662 100 HB2 GLU 82 HB2 GLU 82 16.983 -10.824 -7.447 101 HB3 GLU 82 HB3 GLU 82 17.699 -10.080 -6.019 102 HG2 GLU 82 HG2 GLU 82 19.419 -11.444 -6.930 103 HG3 GLU 82 HG3 GLU 82 18.790 -12.362 -5.565 104 H GLU 83 H GLU 83 14.342 -10.860 -7.053 105 HA GLU 83 HA GLU 83 13.693 -8.410 -5.801 106 HB2 GLU 83 HB2 GLU 83 12.152 -10.229 -7.654 107 HB3 GLU 83 HB3 GLU 83 11.506 -8.692 -7.081 108 HG2 GLU 83 HG2 GLU 83 14.184 -8.962 -8.465 109 HG3 GLU 83 HG3 GLU 83 12.688 -8.569 -9.313 110 H GLN 84 H GLN 84 12.421 -11.693 -5.423 111 HA GLN 84 HA GLN 84 10.271 -11.052 -3.715 112 HB2 GLN 84 HB2 GLN 84 11.900 -13.561 -4.070 113 HB3 GLN 84 HB3 GLN 84 10.515 -13.468 -2.982 114 HG2 GLN 84 HG2 GLN 84 9.046 -12.860 -4.818 115 HG3 GLN 84 HG3 GLN 84 10.408 -12.775 -5.931 116 HE21 GLN 84 HE21 GLN 84 9.793 -14.526 -7.316 117 HE22 GLN 84 HE22 GLN 84 9.678 -16.130 -6.774 118 H PHE 85 H PHE 85 13.651 -11.867 -3.063 119 HA PHE 85 HA PHE 85 13.470 -11.983 -0.251 120 HB2 PHE 85 HB2 PHE 85 15.409 -12.838 -1.483 121 HB3 PHE 85 HB3 PHE 85 15.819 -11.200 -1.998 122 HD1 PHE 85 HD1 PHE 85 15.301 -13.319 1.035 123 HD2 PHE 85 HD2 PHE 85 17.118 -9.791 -0.609 124 HE1 PHE 85 HE1 PHE 85 16.544 -12.973 3.152 125 HE2 PHE 85 HE2 PHE 85 18.360 -9.445 1.508 126 HZ PHE 85 HZ PHE 85 18.074 -11.036 3.388 127 H ALA 86 H ALA 86 14.328 -9.304 -2.427 128 HA ALA 86 HA ALA 86 14.798 -7.365 -0.446 129 HB1 ALA 86 HB1 ALA 86 13.717 -6.943 -3.244 130 HB2 ALA 86 HB2 ALA 86 15.425 -7.087 -2.824 131 HB3 ALA 86 HB3 ALA 86 14.482 -5.721 -2.226 132 H LEU 87 H LEU 87 11.844 -8.436 -2.033 133 HA LEU 87 HA LEU 87 10.141 -6.403 -1.129 134 HB2 LEU 87 HB2 LEU 87 9.471 -8.011 -2.855 135 HB3 LEU 87 HB3 LEU 87 9.511 -9.317 -1.672 136 HG LEU 87 HG LEU 87 7.725 -8.196 -0.368 137 HD11 LEU 87 HD11 LEU 87 6.536 -6.281 -1.773 138 HD12 LEU 87 HD12 LEU 87 8.148 -6.072 -2.459 139 HD13 LEU 87 HD13 LEU 87 7.900 -5.902 -0.723 140 HD21 LEU 87 HD21 LEU 87 6.918 -9.796 -1.922 141 HD22 LEU 87 HD22 LEU 87 7.227 -8.736 -3.300 142 HD23 LEU 87 HD23 LEU 87 5.916 -8.367 -2.179 143 H ALA 88 H ALA 88 11.024 -9.514 0.348 144 HA ALA 88 HA ALA 88 9.296 -9.379 2.557 145 HB1 ALA 88 HB1 ALA 88 10.943 -10.933 3.635 146 HB2 ALA 88 HB2 ALA 88 12.010 -10.676 2.254 147 HB3 ALA 88 HB3 ALA 88 10.436 -11.438 2.023 148 H LEU 89 H LEU 89 12.609 -8.188 2.123 149 HA LEU 89 HA LEU 89 12.890 -7.216 4.790 150 HB2 LEU 89 HB2 LEU 89 14.364 -6.859 2.208 151 HB3 LEU 89 HB3 LEU 89 14.681 -5.700 3.498 152 HG LEU 89 HG LEU 89 15.214 -7.555 5.031 153 HD11 LEU 89 HD11 LEU 89 14.654 -9.257 2.593 154 HD12 LEU 89 HD12 LEU 89 13.788 -9.291 4.128 155 HD13 LEU 89 HD13 LEU 89 15.460 -9.851 4.044 156 HD21 LEU 89 HD21 LEU 89 16.691 -7.724 2.388 157 HD22 LEU 89 HD22 LEU 89 17.312 -8.257 3.950 158 HD23 LEU 89 HD23 LEU 89 17.004 -6.546 3.660 159 H LYS 90 H LYS 90 11.731 -5.782 1.783 160 HA LYS 90 HA LYS 90 11.562 -3.120 2.686 161 HB2 LYS 90 HB2 LYS 90 11.376 -3.801 0.308 162 HB3 LYS 90 HB3 LYS 90 9.808 -4.527 0.657 163 HG2 LYS 90 HG2 LYS 90 8.938 -2.335 1.371 164 HG3 LYS 90 HG3 LYS 90 10.511 -1.604 1.051 165 HD2 LYS 90 HD2 LYS 90 10.324 -2.286 -1.327 166 HD3 LYS 90 HD3 LYS 90 8.721 -2.944 -0.991 167 HE2 LYS 90 HE2 LYS 90 9.531 -0.055 -0.564 168 HE3 LYS 90 HE3 LYS 90 8.601 -0.651 -1.938 169 HZ1 LYS 90 HZ1 LYS 90 7.357 -1.626 0.330 170 HZ2 LYS 90 HZ2 LYS 90 6.794 -0.406 -0.708 171 HZ3 LYS 90 HZ3 LYS 90 7.708 -0.001 0.665 172 H MET 91 H MET 91 9.257 -5.812 2.802 173 HA MET 91 HA MET 91 7.087 -4.348 3.871 174 HB2 MET 91 HB2 MET 91 7.809 -7.280 4.007 175 HB3 MET 91 HB3 MET 91 6.288 -6.624 4.618 176 HG2 MET 91 HG2 MET 91 7.264 -6.217 1.780 177 HG3 MET 91 HG3 MET 91 6.166 -7.515 2.251 178 HE1 MET 91 HE1 MET 91 2.896 -6.042 3.010 179 HE2 MET 91 HE2 MET 91 4.019 -6.145 4.363 180 HE3 MET 91 HE3 MET 91 4.041 -7.387 3.112 181 H SER 92 H SER 92 9.753 -6.107 5.382 182 HA SER 92 HA SER 92 8.853 -5.930 8.049 183 HB2 SER 92 HB2 SER 92 11.653 -6.088 6.918 184 HB3 SER 92 HB3 SER 92 11.269 -6.245 8.630 185 HG SER 92 HG SER 92 11.272 -8.142 6.868 186 H GLU 93 H GLU 93 10.810 -3.753 6.058 187 HA GLU 93 HA GLU 93 11.478 -1.910 8.091 188 HB2 GLU 93 HB2 GLU 93 11.195 -1.596 5.098 189 HB3 GLU 93 HB3 GLU 93 11.790 -0.315 6.156 190 HG2 GLU 93 HG2 GLU 93 13.620 -1.738 6.917 191 HG3 GLU 93 HG3 GLU 93 12.996 -3.089 5.970 192 H GLN 94 H GLN 94 8.700 -2.160 5.923 193 HA GLN 94 HA GLN 94 7.521 0.332 6.567 194 HB2 GLN 94 HB2 GLN 94 6.326 -2.259 5.556 195 HB3 GLN 94 HB3 GLN 94 5.418 -0.754 5.701 196 HG2 GLN 94 HG2 GLN 94 7.969 -1.055 4.093 197 HG3 GLN 94 HG3 GLN 94 6.351 -1.133 3.400 198 HE21 GLN 94 HE21 GLN 94 4.940 0.899 3.997 199 HE22 GLN 94 HE22 GLN 94 5.742 2.393 3.954 200 H GLU 95 H GLU 95 7.266 -2.883 8.004 201 HA GLU 95 HA GLU 95 5.171 -2.175 9.828 202 HB2 GLU 95 HB2 GLU 95 7.123 -4.480 9.742 203 HB3 GLU 95 HB3 GLU 95 5.873 -4.317 10.976 204 HG2 GLU 95 HG2 GLU 95 4.127 -4.371 9.314 205 HG3 GLU 95 HG3 GLU 95 5.304 -4.293 8.003 206 H ALA 96 H ALA 96 8.612 -1.844 9.796 207 HA ALA 96 HA ALA 96 10.036 -0.757 11.233 208 HB1 ALA 96 HB1 ALA 96 7.895 0.701 11.537 209 HB2 ALA 96 HB2 ALA 96 9.189 0.827 12.728 210 HB3 ALA 96 HB3 ALA 96 7.751 -0.129 13.086 211 H ARG 97 H ARG 97 7.634 -2.925 12.572 212 HA ARG 97 HA ARG 97 7.723 -4.503 14.219 213 HB2 ARG 97 HB2 ARG 97 9.635 -5.179 12.616 214 HB3 ARG 97 HB3 ARG 97 10.715 -4.523 13.846 215 HG2 ARG 97 HG2 ARG 97 9.620 -6.015 15.532 216 HG3 ARG 97 HG3 ARG 97 8.676 -6.734 14.227 217 HD2 ARG 97 HD2 ARG 97 10.562 -8.165 14.540 218 HD3 ARG 97 HD3 ARG 97 10.884 -7.242 13.075 219 HE ARG 97 HE ARG 97 11.968 -5.911 15.349 220 HH11 ARG 97 HH21 ARG 97 12.397 -8.619 13.236 221 HH12 ARG 97 HH22 ARG 97 14.115 -8.690 13.450 222 HH21 ARG 97 HH11 ARG 97 14.217 -6.000 15.638 223 HH22 ARG 97 HH12 ARG 97 15.144 -7.207 14.810 224 H GLU 98 H GLU 98 7.510 -2.023 15.266 225 HA GLU 98 HA GLU 98 8.932 -2.315 17.790 226 HB2 GLU 98 HB2 GLU 98 10.174 -0.742 15.959 227 HB3 GLU 98 HB3 GLU 98 9.093 0.454 16.672 228 HG2 GLU 98 HG2 GLU 98 9.939 -0.220 18.937 229 HG3 GLU 98 HG3 GLU 98 11.093 -1.287 18.142 230 H VAL 99 H VAL 99 8.265 -0.165 19.140 231 HA VAL 99 HA VAL 99 5.479 -0.408 19.544 232 HB VAL 99 HB VAL 99 7.052 1.951 20.542 233 HG11 VAL 99 HG11 VAL 99 4.631 1.594 21.109 234 HG12 VAL 99 HG12 VAL 99 5.689 1.628 22.520 235 HG13 VAL 99 HG13 VAL 99 5.088 0.089 21.905 236 HG21 VAL 99 HG21 VAL 99 8.668 0.245 20.920 237 HG22 VAL 99 HG22 VAL 99 7.436 -0.964 21.274 238 HG23 VAL 99 HG23 VAL 99 7.774 0.317 22.438 239 H ASN 100 H ASN 100 3.831 1.097 19.190 240 HA ASN 100 HA ASN 100 4.089 2.613 16.759 241 HB2 ASN 100 HB2 ASN 100 1.711 3.200 17.193 242 HB3 ASN 100 HB3 ASN 100 2.000 1.461 17.252 243 HD21 ASN 100 HD21 ASN 100 -0.237 2.118 18.593 244 HD22 ASN 100 HD22 ASN 100 0.013 2.175 20.272 245 H SER 101 H SER 101 4.668 4.654 16.579 246 HA SER 101 HA SER 101 5.489 6.263 18.738 247 HB2 SER 101 HB2 SER 101 4.802 7.002 15.886 248 HB3 SER 101 HB3 SER 101 5.540 8.107 17.042 249 HG SER 101 HG SER 101 6.833 6.550 15.514 250 H GLN 102 H GLN 102 2.398 5.746 17.295 251 HA GLN 102 HA GLN 102 1.119 8.162 17.956 252 HB2 GLN 102 HB2 GLN 102 0.180 6.365 16.477 253 HB3 GLN 102 HB3 GLN 102 -0.122 5.400 17.922 254 HG2 GLN 102 HG2 GLN 102 -2.164 6.590 17.321 255 HG3 GLN 102 HG3 GLN 102 -1.527 7.260 18.821 256 HE21 GLN 102 HE21 GLN 102 -1.859 9.491 18.758 257 HE22 GLN 102 HE22 GLN 102 -1.545 10.477 17.412 258 H GLU 103 H GLU 103 1.669 5.201 19.808 259 HA GLU 103 HA GLU 103 0.066 5.848 22.038 260 HB2 GLU 103 HB2 GLU 103 0.968 3.590 21.619 261 HB3 GLU 103 HB3 GLU 103 2.596 4.188 21.939 262 HG2 GLU 103 HG2 GLU 103 1.972 4.774 24.227 263 HG3 GLU 103 HG3 GLU 103 0.304 4.300 23.919 264 H GLU 104 H GLU 104 3.453 6.542 21.275 265 HA GLU 104 HA GLU 104 4.133 7.689 23.769 266 HB2 GLU 104 HB2 GLU 104 5.270 8.105 20.998 267 HB3 GLU 104 HB3 GLU 104 5.988 8.772 22.464 268 HG2 GLU 104 HG2 GLU 104 5.431 5.823 22.059 269 HG3 GLU 104 HG3 GLU 104 6.990 6.576 21.733 270 H GLU 105 H GLU 105 2.793 9.049 20.796 271 HA GLU 105 HA GLU 105 2.961 11.769 21.533 272 HB2 GLU 105 HB2 GLU 105 2.506 10.986 19.225 273 HB3 GLU 105 HB3 GLU 105 0.914 10.438 19.745 274 HG2 GLU 105 HG2 GLU 105 0.307 12.731 20.381 275 HG3 GLU 105 HG3 GLU 105 1.916 13.294 19.931 276 H GLU 106 H GLU 106 0.429 9.336 22.013 277 HA GLU 106 HA GLU 106 -1.519 11.044 23.123 278 HB2 GLU 106 HB2 GLU 106 -0.989 8.091 23.501 279 HB3 GLU 106 HB3 GLU 106 -2.403 8.917 24.155 280 HG2 GLU 106 HG2 GLU 106 -1.644 8.970 21.224 281 HG3 GLU 106 HG3 GLU 106 -2.784 7.814 21.912 282 H GLU 107 H GLU 107 1.154 9.251 24.571 283 HA GLU 107 HA GLU 107 0.514 9.701 27.271 284 HB2 GLU 107 HB2 GLU 107 2.237 8.095 26.471 285 HB3 GLU 107 HB3 GLU 107 3.271 9.461 26.046 286 HG2 GLU 107 HG2 GLU 107 2.157 9.172 28.838 287 HG3 GLU 107 HG3 GLU 107 3.633 8.336 28.361 288 H GLU 108 H GLU 108 2.395 11.618 24.955 289 HA GLU 108 HA GLU 108 3.305 13.577 26.769 290 HB2 GLU 108 HB2 GLU 108 4.232 13.301 24.505 291 HB3 GLU 108 HB3 GLU 108 2.706 13.851 23.813 292 HG2 GLU 108 HG2 GLU 108 2.953 16.028 24.867 293 HG3 GLU 108 HG3 GLU 108 4.398 15.490 25.719 294 H LEU 109 H LEU 109 0.397 13.418 24.745 295 HA LEU 109 HA LEU 109 -0.591 15.979 25.496 296 HB2 LEU 109 HB2 LEU 109 -1.675 13.576 24.092 297 HB3 LEU 109 HB3 LEU 109 -2.855 14.709 24.746 298 HG LEU 109 HG LEU 109 -1.697 16.552 23.530 299 HD11 LEU 109 HD11 LEU 109 -0.026 15.978 21.822 300 HD12 LEU 109 HD12 LEU 109 -0.099 14.285 22.305 301 HD13 LEU 109 HD13 LEU 109 0.540 15.494 23.421 302 HD21 LEU 109 HD21 LEU 109 -2.407 14.275 21.665 303 HD22 LEU 109 HD22 LEU 109 -2.608 16.006 21.383 304 HD23 LEU 109 HD23 LEU 109 -3.615 15.184 22.575 305 H LEU 110 H LEU 110 -1.048 12.729 26.777 306 HA LEU 110 HA LEU 110 -3.110 13.347 28.573 307 HB2 LEU 110 HB2 LEU 110 -2.513 11.041 28.049 308 HB3 LEU 110 HB3 LEU 110 -0.919 11.260 28.770 309 HG LEU 110 HG LEU 110 -1.962 11.675 30.974 310 HD11 LEU 110 HD11 LEU 110 -4.479 11.492 29.327 311 HD12 LEU 110 HD12 LEU 110 -4.051 12.646 30.587 312 HD13 LEU 110 HD13 LEU 110 -4.518 11.004 31.023 313 HD21 LEU 110 HD21 LEU 110 -2.774 9.404 31.376 314 HD22 LEU 110 HD22 LEU 110 -1.387 9.362 30.287 315 HD23 LEU 110 HD23 LEU 110 -3.018 9.161 29.647 316 H ARG 111 H ARG 111 0.413 13.383 28.958 317 HA ARG 111 HA ARG 111 0.451 14.029 31.671 318 HB2 ARG 111 HB2 ARG 111 2.432 13.300 30.331 319 HB3 ARG 111 HB3 ARG 111 2.451 14.889 29.569 320 HG2 ARG 111 HG2 ARG 111 4.034 15.085 31.318 321 HG3 ARG 111 HG3 ARG 111 2.583 15.831 31.985 322 HD2 ARG 111 HD2 ARG 111 2.040 13.793 33.208 323 HD3 ARG 111 HD3 ARG 111 3.378 12.938 32.445 324 HE ARG 111 HE ARG 111 3.536 14.868 34.610 325 HH11 ARG 111 HH21 ARG 111 5.129 13.132 32.082 326 HH12 ARG 111 HH22 ARG 111 6.703 13.272 32.792 327 HH21 ARG 111 HH11 ARG 111 5.582 15.058 35.547 328 HH22 ARG 111 HH12 ARG 111 6.958 14.365 34.758 329 H LYS 112 H LYS 112 0.294 16.073 28.810 330 HA LYS 112 HA LYS 112 0.545 18.551 30.127 331 HB2 LYS 112 HB2 LYS 112 -0.844 17.794 27.551 332 HB3 LYS 112 HB3 LYS 112 -0.603 19.459 28.087 333 HG2 LYS 112 HG2 LYS 112 1.753 17.581 27.924 334 HG3 LYS 112 HG3 LYS 112 1.159 18.376 26.469 335 HD2 LYS 112 HD2 LYS 112 1.405 20.581 27.629 336 HD3 LYS 112 HD3 LYS 112 2.123 19.744 29.004 337 HE2 LYS 112 HE2 LYS 112 3.901 18.868 27.550 338 HE3 LYS 112 HE3 LYS 112 3.188 19.707 26.171 339 HZ1 LYS 112 HZ1 LYS 112 3.363 21.719 27.848 340 HZ2 LYS 112 HZ2 LYS 112 4.651 21.283 26.829 341 HZ3 LYS 112 HZ3 LYS 112 4.646 20.789 28.454 342 H ALA 113 H ALA 113 -2.209 16.452 29.521 343 HA ALA 113 HA ALA 113 -4.259 18.251 30.210 344 HB1 ALA 113 HB1 ALA 113 -4.197 15.272 30.745 345 HB2 ALA 113 HB2 ALA 113 -4.610 15.993 29.189 346 HB3 ALA 113 HB3 ALA 113 -5.631 16.288 30.598 347 H ILE 114 H ILE 114 -2.264 16.082 32.151 348 HA ILE 114 HA ILE 114 -3.523 16.613 34.643 349 HB ILE 114 HB ILE 114 -0.820 15.562 33.833 350 HG12 ILE 114 HG12 ILE 114 -1.747 13.582 35.232 351 HG13 ILE 114 HG13 ILE 114 -3.304 14.407 35.122 352 HG21 ILE 114 HG21 ILE 114 -1.717 16.364 36.595 353 HG22 ILE 114 HG22 ILE 114 -0.183 16.688 35.792 354 HG23 ILE 114 HG23 ILE 114 -0.550 15.060 36.364 355 HD11 ILE 114 HD11 ILE 114 -3.161 14.363 32.672 356 HD12 ILE 114 HD12 ILE 114 -3.005 12.732 33.323 357 HD13 ILE 114 HD13 ILE 114 -1.575 13.602 32.770 358 H ALA 115 H ALA 115 -0.818 18.120 32.949 359 HA ALA 115 HA ALA 115 0.003 19.852 34.997 360 HB1 ALA 115 HB1 ALA 115 0.925 21.232 33.104 361 HB2 ALA 115 HB2 ALA 115 0.123 20.124 31.990 362 HB3 ALA 115 HB3 ALA 115 1.392 19.531 33.062 363 H GLU 116 H GLU 116 -2.436 20.230 32.464 364 HA GLU 116 HA GLU 116 -3.076 22.934 33.091 365 HB2 GLU 116 HB2 GLU 116 -4.224 20.774 31.388 366 HB3 GLU 116 HB3 GLU 116 -5.347 22.040 31.881 367 HG2 GLU 116 HG2 GLU 116 -4.260 22.589 29.734 368 HG3 GLU 116 HG3 GLU 116 -3.824 23.749 30.987 369 H SER 117 H SER 117 -4.239 19.826 34.244 370 HA SER 117 HA SER 117 -6.561 20.706 35.550 371 HB2 SER 117 HB2 SER 117 -6.051 18.335 35.190 372 HB3 SER 117 HB3 SER 117 -4.685 18.454 36.297 373 HG SER 117 HG SER 117 -7.450 18.698 36.835 374 H LEU 118 H LEU 118 -3.212 20.486 36.662 375 HA LEU 118 HA LEU 118 -3.806 21.444 39.307 376 HB2 LEU 118 HB2 LEU 118 -1.332 20.792 37.751 377 HB3 LEU 118 HB3 LEU 118 -1.164 21.795 39.193 378 HG LEU 118 HG LEU 118 -0.911 19.339 39.637 379 HD11 LEU 118 HD11 LEU 118 -3.411 20.006 41.122 380 HD12 LEU 118 HD12 LEU 118 -2.134 21.221 41.218 381 HD13 LEU 118 HD13 LEU 118 -1.816 19.565 41.732 382 HD21 LEU 118 HD21 LEU 118 -2.705 18.757 37.880 383 HD22 LEU 118 HD22 LEU 118 -3.890 19.146 39.126 384 HD23 LEU 118 HD23 LEU 118 -2.741 17.832 39.383 385 H ASN 119 H ASN 119 -2.837 22.883 36.281 386 HA ASN 119 HA ASN 119 -2.494 25.512 37.539 387 HB2 ASN 119 HB2 ASN 119 -2.109 24.552 34.696 388 HB3 ASN 119 HB3 ASN 119 -1.840 26.208 35.236 389 HD21 ASN 119 HD21 ASN 119 -0.250 26.367 37.203 390 HD22 ASN 119 HD22 ASN 119 1.091 25.326 37.167 391 H SER 120 H SER 120 -5.067 23.766 36.755 392 HA SER 120 HA SER 120 -6.582 25.394 35.008 393 HB2 SER 120 HB2 SER 120 -7.267 23.116 35.487 394 HB3 SER 120 HB3 SER 120 -7.460 23.494 37.195 395 HG SER 120 HG SER 120 -9.426 23.974 36.624 396 H CYS 121 H CYS 121 -7.911 27.111 35.352 397 HA CYS 121 HA CYS 121 -7.461 28.688 37.713 398 HB2 CYS 121 HB2 CYS 121 -8.827 30.355 36.634 399 HB3 CYS 121 HB3 CYS 121 -7.776 29.640 35.410 400 HG CYS 121 HG CYS 121 -10.179 29.611 34.415 401 H ARG 122 H ARG 122 -9.295 29.633 38.939 402 HA ARG 122 HA ARG 122 -10.857 27.546 40.066 403 HB2 ARG 122 HB2 ARG 122 -11.916 29.425 41.377 404 HB3 ARG 122 HB3 ARG 122 -10.158 29.333 41.509 405 HG2 ARG 122 HG2 ARG 122 -11.118 31.030 39.258 406 HG3 ARG 122 HG3 ARG 122 -11.557 31.636 40.855 407 HD2 ARG 122 HD2 ARG 122 -9.217 31.513 41.565 408 HD3 ARG 122 HD3 ARG 122 -8.755 30.877 39.991 409 HE ARG 122 HE ARG 122 -10.106 33.290 39.570 410 HH11 ARG 122 HH21 ARG 122 -7.234 32.055 41.048 411 HH12 ARG 122 HH22 ARG 122 -6.311 33.496 40.780 412 HH21 ARG 122 HH11 ARG 122 -8.911 35.176 39.213 413 HH22 ARG 122 HH12 ARG 122 -7.263 35.265 39.738 414 HA PRO 123 HA PRO 123 -14.476 27.793 37.512 415 HB2 PRO 123 HB2 PRO 123 -16.419 27.012 39.299 416 HB3 PRO 123 HB3 PRO 123 -15.232 25.888 38.601 417 HG2 PRO 123 HG2 PRO 123 -15.203 27.248 41.264 418 HG3 PRO 123 HG3 PRO 123 -14.826 25.565 40.863 419 HD2 PRO 123 HD2 PRO 123 -12.882 27.398 41.272 420 HD3 PRO 123 HD3 PRO 123 -12.691 26.084 40.101 421 H SER 124 H SER 124 -16.355 29.043 37.100 422 HA SER 124 HA SER 124 -16.303 31.684 38.159 423 HB2 SER 124 HB2 SER 124 -18.182 32.104 36.705 424 HB3 SER 124 HB3 SER 124 -17.041 31.077 35.842 425 HG SER 124 HG SER 124 -19.392 30.484 35.885 426 H ASP 125 H ASP 125 -18.148 32.778 39.161 427 HA ASP 125 HA ASP 125 -19.027 31.391 41.497 428 HB2 ASP 125 HB2 ASP 125 -19.752 34.068 40.309 429 HB3 ASP 125 HB3 ASP 125 -20.420 33.482 41.831 430 H ALA 126 H ALA 126 -21.290 31.137 42.154 431 HA ALA 126 HA ALA 126 -22.780 29.606 40.328 432 HB1 ALA 126 HB1 ALA 126 -24.482 29.529 42.003 433 HB2 ALA 126 HB2 ALA 126 -23.919 31.031 42.736 434 HB3 ALA 126 HB3 ALA 126 -22.942 29.568 42.863 435 H SER 127 H SER 127 -22.658 33.015 40.912 436 HA SER 127 HA SER 127 -25.176 33.611 39.621 437 HB2 SER 127 HB2 SER 127 -24.550 35.934 39.912 438 HB3 SER 127 HB3 SER 127 -24.223 35.056 41.404 439 HG SER 127 HG SER 127 -22.087 35.110 40.970 440 H ALA 128 H ALA 128 -22.215 32.615 38.502 441 HA ALA 128 HA ALA 128 -21.485 32.359 36.322 442 HB1 ALA 128 HB1 ALA 128 -23.431 34.378 35.248 443 HB2 ALA 128 HB2 ALA 128 -24.059 32.839 35.836 444 HB3 ALA 128 HB3 ALA 128 -22.873 32.862 34.533 445 H THR 129 H THR 129 -21.316 34.916 38.275 446 HA THR 129 HA THR 129 -20.135 36.850 36.456 447 HB THR 129 HB THR 129 -19.777 38.187 38.475 448 HG1 THR 129 HG1 THR 129 -20.887 36.981 40.382 449 HG21 THR 129 HG21 THR 129 -22.477 36.828 38.279 450 HG22 THR 129 HG22 THR 129 -21.979 38.328 37.497 451 HG23 THR 129 HG23 THR 129 -22.176 38.271 39.247 452 H ARG 130 H ARG 130 -17.955 37.579 36.610 453 HA ARG 130 HA ARG 130 -16.073 35.402 37.050 454 HB2 ARG 130 HB2 ARG 130 -15.678 38.220 36.012 455 HB3 ARG 130 HB3 ARG 130 -14.424 36.980 36.080 456 HG2 ARG 130 HG2 ARG 130 -15.654 35.559 34.558 457 HG3 ARG 130 HG3 ARG 130 -17.051 36.635 34.609 458 HD2 ARG 130 HD2 ARG 130 -14.312 37.434 33.590 459 HD3 ARG 130 HD3 ARG 130 -15.650 36.942 32.557 460 HE ARG 130 HE ARG 130 -16.586 39.009 34.194 461 HH11 ARG 130 HH21 ARG 130 -14.208 38.450 31.744 462 HH12 ARG 130 HH22 ARG 130 -14.253 40.071 31.135 463 HH21 ARG 130 HH11 ARG 130 -16.652 41.136 33.402 464 HH22 ARG 130 HH12 ARG 130 -15.637 41.592 32.074 465 H SER 131 H SER 131 -14.379 35.410 38.507 466 HA SER 131 HA SER 131 -13.380 35.782 40.544 467 HB2 SER 131 HB2 SER 131 -12.490 37.739 39.385 468 HB3 SER 131 HB3 SER 131 -13.950 38.652 39.759 469 HG SER 131 HG SER 131 -13.355 38.782 41.821 Start of MODEL 7 1 H1 GLY -4 H1 GLY -4 15.983 -25.509 12.521 2 H2 GLY -4 H2 GLY -4 16.405 -24.930 14.062 3 H3 GLY -4 H3 GLY -4 15.990 -23.840 12.826 4 HA2 GLY -4 HA2 GLY -4 14.277 -25.470 14.531 5 HA3 GLY -4 HA3 GLY -4 14.004 -23.853 13.875 6 HA PRO -3 HA PRO -3 11.873 -25.248 10.263 7 HB2 PRO -3 HB2 PRO -3 14.217 -25.061 8.408 8 HB3 PRO -3 HB3 PRO -3 12.645 -24.237 8.325 9 HG2 PRO -3 HG2 PRO -3 14.847 -22.922 9.042 10 HG3 PRO -3 HG3 PRO -3 13.286 -22.581 9.812 11 HD2 PRO -3 HD2 PRO -3 15.605 -24.176 10.875 12 HD3 PRO -3 HD3 PRO -3 14.530 -23.044 11.730 13 H LEU -2 H LEU -2 11.355 -27.154 9.137 14 HA LEU -2 HA LEU -2 12.582 -29.529 9.981 15 HB2 LEU -2 HB2 LEU -2 10.219 -29.007 8.855 16 HB3 LEU -2 HB3 LEU -2 11.070 -29.463 7.386 17 HG LEU -2 HG LEU -2 10.015 -31.440 8.286 18 HD11 LEU -2 HD11 LEU -2 12.920 -31.674 9.071 19 HD12 LEU -2 HD12 LEU -2 12.421 -31.508 7.385 20 HD13 LEU -2 HD13 LEU -2 11.883 -32.896 8.336 21 HD21 LEU -2 HD21 LEU -2 11.577 -31.505 10.827 22 HD22 LEU -2 HD22 LEU -2 9.922 -32.010 10.502 23 HD23 LEU -2 HD23 LEU -2 10.280 -30.309 10.772 24 H GLY -1 H GLY -1 12.718 -27.940 6.784 25 HA2 GLY -1 HA2 GLY -1 15.482 -28.637 6.441 26 HA3 GLY -1 HA3 GLY -1 14.420 -29.625 5.442 27 H SER 0 H SER 0 16.427 -27.358 4.938 28 HA SER 0 HA SER 0 14.922 -25.187 3.849 29 HB2 SER 0 HB2 SER 0 17.032 -24.432 2.955 30 HB3 SER 0 HB3 SER 0 17.310 -25.050 4.580 31 HG SER 0 HG SER 0 17.588 -26.632 2.244 32 H ARG 74 H ARG 74 15.635 -28.349 2.772 33 HA ARG 74 HA ARG 74 15.659 -27.894 -0.035 34 HB2 ARG 74 HB2 ARG 74 14.990 -30.355 1.592 35 HB3 ARG 74 HB3 ARG 74 15.136 -30.343 -0.165 36 HG2 ARG 74 HG2 ARG 74 17.449 -29.577 -0.005 37 HG3 ARG 74 HG3 ARG 74 17.318 -29.468 1.750 38 HD2 ARG 74 HD2 ARG 74 18.427 -31.547 1.220 39 HD3 ARG 74 HD3 ARG 74 16.805 -31.927 1.794 40 HE ARG 74 HE ARG 74 16.699 -31.687 -1.003 41 HH11 ARG 74 HH21 ARG 74 18.124 -33.660 1.456 42 HH12 ARG 74 HH22 ARG 74 18.130 -35.098 0.493 43 HH21 ARG 74 HH11 ARG 74 16.704 -33.571 -2.273 44 HH22 ARG 74 HH12 ARG 74 17.327 -35.048 -1.619 45 H LYS 75 H LYS 75 13.147 -27.964 2.328 46 HA LYS 75 HA LYS 75 11.033 -28.496 0.403 47 HB2 LYS 75 HB2 LYS 75 10.945 -27.765 3.335 48 HB3 LYS 75 HB3 LYS 75 9.538 -28.195 2.360 49 HG2 LYS 75 HG2 LYS 75 10.531 -30.402 1.887 50 HG3 LYS 75 HG3 LYS 75 11.947 -29.974 2.848 51 HD2 LYS 75 HD2 LYS 75 10.510 -29.696 4.840 52 HD3 LYS 75 HD3 LYS 75 9.100 -30.147 3.880 53 HE2 LYS 75 HE2 LYS 75 10.104 -32.349 3.422 54 HE3 LYS 75 HE3 LYS 75 11.528 -31.901 4.360 55 HZ1 LYS 75 HZ1 LYS 75 8.761 -32.317 5.320 56 HZ2 LYS 75 HZ2 LYS 75 9.916 -31.480 6.244 57 HZ3 LYS 75 HZ3 LYS 75 10.178 -33.104 5.820 58 H ILE 76 H ILE 76 12.839 -25.879 1.245 59 HA ILE 76 HA ILE 76 10.733 -23.868 1.017 60 HB ILE 76 HB ILE 76 13.735 -23.523 1.232 61 HG12 ILE 76 HG12 ILE 76 11.564 -23.201 3.333 62 HG13 ILE 76 HG13 ILE 76 12.608 -24.615 3.202 63 HG21 ILE 76 HG21 ILE 76 12.683 -21.577 0.212 64 HG22 ILE 76 HG22 ILE 76 13.071 -21.189 1.886 65 HG23 ILE 76 HG23 ILE 76 11.413 -21.581 1.437 66 HD11 ILE 76 HD11 ILE 76 13.352 -21.790 3.944 67 HD12 ILE 76 HD12 ILE 76 14.570 -22.905 3.322 68 HD13 ILE 76 HD13 ILE 76 13.702 -23.287 4.809 69 H ALA 77 H ALA 77 10.142 -22.909 -0.816 70 HA ALA 77 HA ALA 77 11.189 -23.734 -3.335 71 HB1 ALA 77 HB1 ALA 77 9.591 -22.240 -4.300 72 HB2 ALA 77 HB2 ALA 77 9.470 -21.306 -2.808 73 HB3 ALA 77 HB3 ALA 77 8.826 -22.946 -2.878 74 H GLN 78 H GLN 78 12.336 -22.507 -4.887 75 HA GLN 78 HA GLN 78 14.483 -20.978 -3.871 76 HB2 GLN 78 HB2 GLN 78 13.381 -21.305 -6.668 77 HB3 GLN 78 HB3 GLN 78 14.862 -20.418 -6.309 78 HG2 GLN 78 HG2 GLN 78 15.843 -22.418 -5.290 79 HG3 GLN 78 HG3 GLN 78 14.351 -23.313 -5.570 80 HE21 GLN 78 HE21 GLN 78 15.165 -24.837 -7.103 81 HE22 GLN 78 HE22 GLN 78 15.775 -24.382 -8.620 82 H MET 79 H MET 79 14.368 -18.996 -3.052 83 HA MET 79 HA MET 79 12.188 -17.202 -3.690 84 HB2 MET 79 HB2 MET 79 13.303 -15.690 -2.074 85 HB3 MET 79 HB3 MET 79 13.017 -17.296 -1.406 86 HG2 MET 79 HG2 MET 79 15.361 -17.917 -1.991 87 HG3 MET 79 HG3 MET 79 15.633 -16.261 -2.535 88 HE1 MET 79 HE1 MET 79 17.656 -15.964 -0.896 89 HE2 MET 79 HE2 MET 79 17.406 -17.666 -0.521 90 HE3 MET 79 HE3 MET 79 17.618 -16.506 0.787 91 H THR 80 H THR 80 12.221 -15.460 -5.010 92 HA THR 80 HA THR 80 14.470 -15.180 -6.825 93 HB THR 80 HB THR 80 13.046 -13.572 -7.993 94 HG1 THR 80 HG1 THR 80 10.947 -14.040 -6.236 95 HG21 THR 80 HG21 THR 80 12.724 -16.117 -8.155 96 HG22 THR 80 HG22 THR 80 11.386 -15.112 -8.711 97 HG23 THR 80 HG23 THR 80 11.310 -15.886 -7.128 98 H GLU 82 H GLU 82 15.259 -12.936 -7.352 99 HA GLU 82 HA GLU 82 16.459 -11.779 -5.075 100 HB2 GLU 82 HB2 GLU 82 16.104 -10.763 -7.900 101 HB3 GLU 82 HB3 GLU 82 17.049 -9.912 -6.677 102 HG2 GLU 82 HG2 GLU 82 18.508 -11.851 -6.404 103 HG3 GLU 82 HG3 GLU 82 17.530 -12.777 -7.541 104 H GLU 83 H GLU 83 13.627 -10.874 -6.994 105 HA GLU 83 HA GLU 83 13.115 -8.417 -5.675 106 HB2 GLU 83 HB2 GLU 83 12.145 -9.041 -7.884 107 HB3 GLU 83 HB3 GLU 83 11.134 -10.234 -7.073 108 HG2 GLU 83 HG2 GLU 83 9.843 -8.194 -7.403 109 HG3 GLU 83 HG3 GLU 83 10.154 -8.395 -5.681 110 H GLN 84 H GLN 84 12.028 -11.750 -5.084 111 HA GLN 84 HA GLN 84 10.121 -11.176 -3.126 112 HB2 GLN 84 HB2 GLN 84 10.418 -13.350 -4.302 113 HB3 GLN 84 HB3 GLN 84 11.886 -13.618 -3.362 114 HG2 GLN 84 HG2 GLN 84 10.062 -14.763 -2.282 115 HG3 GLN 84 HG3 GLN 84 10.527 -13.395 -1.283 116 HE21 GLN 84 HE21 GLN 84 8.179 -14.232 -3.885 117 HE22 GLN 84 HE22 GLN 84 6.940 -13.238 -3.286 118 H PHE 85 H PHE 85 13.604 -11.808 -2.915 119 HA PHE 85 HA PHE 85 13.795 -11.861 -0.102 120 HB2 PHE 85 HB2 PHE 85 15.603 -12.614 -1.595 121 HB3 PHE 85 HB3 PHE 85 15.850 -10.951 -2.131 122 HD1 PHE 85 HD1 PHE 85 16.117 -13.275 0.732 123 HD2 PHE 85 HD2 PHE 85 16.945 -9.319 -0.723 124 HE1 PHE 85 HE1 PHE 85 17.589 -12.866 2.684 125 HE2 PHE 85 HE2 PHE 85 18.418 -8.910 1.231 126 HZ PHE 85 HZ PHE 85 18.740 -10.684 2.934 127 H ALA 86 H ALA 86 14.265 -9.190 -2.416 128 HA ALA 86 HA ALA 86 14.830 -7.196 -0.510 129 HB1 ALA 86 HB1 ALA 86 15.092 -7.101 -3.067 130 HB2 ALA 86 HB2 ALA 86 14.543 -5.637 -2.253 131 HB3 ALA 86 HB3 ALA 86 13.385 -6.662 -3.100 132 H LEU 87 H LEU 87 11.785 -8.385 -1.848 133 HA LEU 87 HA LEU 87 10.095 -6.417 -0.776 134 HB2 LEU 87 HB2 LEU 87 9.331 -8.015 -2.472 135 HB3 LEU 87 HB3 LEU 87 9.525 -9.342 -1.331 136 HG LEU 87 HG LEU 87 7.808 -8.348 0.141 137 HD11 LEU 87 HD11 LEU 87 6.428 -6.440 -1.050 138 HD12 LEU 87 HD12 LEU 87 7.942 -6.136 -1.903 139 HD13 LEU 87 HD13 LEU 87 7.880 -6.029 -0.144 140 HD21 LEU 87 HD21 LEU 87 7.088 -8.764 -2.766 141 HD22 LEU 87 HD22 LEU 87 5.869 -8.551 -1.509 142 HD23 LEU 87 HD23 LEU 87 6.976 -9.924 -1.443 143 H ALA 88 H ALA 88 11.259 -9.488 0.587 144 HA ALA 88 HA ALA 88 9.701 -9.465 2.919 145 HB1 ALA 88 HB1 ALA 88 12.537 -10.479 2.821 146 HB2 ALA 88 HB2 ALA 88 11.224 -11.319 2.000 147 HB3 ALA 88 HB3 ALA 88 11.176 -11.109 3.749 148 H LEU 89 H LEU 89 12.907 -8.059 2.265 149 HA LEU 89 HA LEU 89 13.280 -7.065 4.919 150 HB2 LEU 89 HB2 LEU 89 14.555 -6.581 2.251 151 HB3 LEU 89 HB3 LEU 89 14.914 -5.461 3.561 152 HG LEU 89 HG LEU 89 16.533 -7.386 3.365 153 HD11 LEU 89 HD11 LEU 89 15.648 -6.156 5.630 154 HD12 LEU 89 HD12 LEU 89 16.888 -7.407 5.629 155 HD13 LEU 89 HD13 LEU 89 15.220 -7.824 6.013 156 HD21 LEU 89 HD21 LEU 89 14.573 -8.987 2.767 157 HD22 LEU 89 HD22 LEU 89 14.338 -9.112 4.507 158 HD23 LEU 89 HD23 LEU 89 15.868 -9.607 3.782 159 H LYS 90 H LYS 90 11.987 -5.619 1.949 160 HA LYS 90 HA LYS 90 11.622 -3.017 3.019 161 HB2 LYS 90 HB2 LYS 90 10.722 -4.516 0.605 162 HB3 LYS 90 HB3 LYS 90 9.732 -3.131 1.055 163 HG2 LYS 90 HG2 LYS 90 11.431 -2.375 -0.497 164 HG3 LYS 90 HG3 LYS 90 11.824 -1.733 1.096 165 HD2 LYS 90 HD2 LYS 90 13.338 -3.786 1.381 166 HD3 LYS 90 HD3 LYS 90 13.117 -4.051 -0.349 167 HE2 LYS 90 HE2 LYS 90 14.138 -1.468 0.863 168 HE3 LYS 90 HE3 LYS 90 15.170 -2.725 0.178 169 HZ1 LYS 90 HZ1 LYS 90 13.757 -0.693 -1.160 170 HZ2 LYS 90 HZ2 LYS 90 13.165 -2.201 -1.671 171 HZ3 LYS 90 HZ3 LYS 90 14.821 -1.848 -1.807 172 H MET 91 H MET 91 9.561 -5.892 2.898 173 HA MET 91 HA MET 91 7.204 -4.672 3.843 174 HB2 MET 91 HB2 MET 91 7.292 -6.924 2.817 175 HB3 MET 91 HB3 MET 91 8.125 -7.524 4.251 176 HG2 MET 91 HG2 MET 91 6.212 -6.910 5.651 177 HG3 MET 91 HG3 MET 91 5.378 -6.241 4.250 178 HE1 MET 91 HE1 MET 91 5.926 -8.571 1.844 179 HE2 MET 91 HE2 MET 91 4.769 -7.321 2.293 180 HE3 MET 91 HE3 MET 91 4.235 -8.992 2.142 181 H SER 92 H SER 92 9.910 -6.211 5.546 182 HA SER 92 HA SER 92 8.815 -6.057 8.138 183 HB2 SER 92 HB2 SER 92 11.692 -6.026 7.208 184 HB3 SER 92 HB3 SER 92 11.195 -6.200 8.890 185 HG SER 92 HG SER 92 10.011 -8.059 8.240 186 H GLU 93 H GLU 93 10.778 -3.762 6.264 187 HA GLU 93 HA GLU 93 11.103 -1.862 8.345 188 HB2 GLU 93 HB2 GLU 93 11.172 -1.587 5.336 189 HB3 GLU 93 HB3 GLU 93 11.574 -0.275 6.445 190 HG2 GLU 93 HG2 GLU 93 13.346 -1.646 7.451 191 HG3 GLU 93 HG3 GLU 93 12.930 -2.987 6.385 192 H GLN 94 H GLN 94 8.643 -2.289 5.836 193 HA GLN 94 HA GLN 94 7.232 0.123 6.330 194 HB2 GLN 94 HB2 GLN 94 6.392 -2.505 5.102 195 HB3 GLN 94 HB3 GLN 94 5.332 -1.099 5.188 196 HG2 GLN 94 HG2 GLN 94 6.862 0.225 3.874 197 HG3 GLN 94 HG3 GLN 94 8.087 -1.041 3.936 198 HE21 GLN 94 HE21 GLN 94 6.706 0.135 1.525 199 HE22 GLN 94 HE22 GLN 94 5.994 -1.188 0.736 200 H GLU 95 H GLU 95 6.998 -3.127 7.681 201 HA GLU 95 HA GLU 95 4.630 -2.597 9.205 202 HB2 GLU 95 HB2 GLU 95 6.712 -4.783 9.393 203 HB3 GLU 95 HB3 GLU 95 5.239 -4.737 10.364 204 HG2 GLU 95 HG2 GLU 95 5.242 -4.632 7.338 205 HG3 GLU 95 HG3 GLU 95 5.067 -6.128 8.255 206 H ALA 96 H ALA 96 7.893 -1.743 9.573 207 HA ALA 96 HA ALA 96 8.977 -0.566 11.217 208 HB1 ALA 96 HB1 ALA 96 7.738 0.661 12.767 209 HB2 ALA 96 HB2 ALA 96 6.505 -0.589 12.928 210 HB3 ALA 96 HB3 ALA 96 6.569 0.403 11.472 211 H ARG 97 H ARG 97 8.986 -3.411 11.140 212 HA ARG 97 HA ARG 97 10.066 -5.031 12.400 213 HB2 ARG 97 HB2 ARG 97 10.793 -2.976 13.871 214 HB3 ARG 97 HB3 ARG 97 9.530 -3.536 14.963 215 HG2 ARG 97 HG2 ARG 97 10.582 -5.718 15.144 216 HG3 ARG 97 HG3 ARG 97 11.796 -5.273 13.944 217 HD2 ARG 97 HD2 ARG 97 11.393 -3.768 16.540 218 HD3 ARG 97 HD3 ARG 97 12.561 -5.074 16.355 219 HE ARG 97 HE ARG 97 12.996 -3.202 14.296 220 HH11 ARG 97 HH21 ARG 97 13.155 -3.493 17.738 221 HH12 ARG 97 HH22 ARG 97 14.454 -2.360 17.914 222 HH21 ARG 97 HH11 ARG 97 14.705 -1.717 14.515 223 HH22 ARG 97 HH12 ARG 97 15.332 -1.353 16.089 224 H GLU 98 H GLU 98 9.350 -6.830 13.637 225 HA GLU 98 HA GLU 98 7.800 -8.287 14.480 226 HB2 GLU 98 HB2 GLU 98 7.457 -6.174 16.018 227 HB3 GLU 98 HB3 GLU 98 5.932 -6.027 15.147 228 HG2 GLU 98 HG2 GLU 98 6.894 -8.450 16.700 229 HG3 GLU 98 HG3 GLU 98 5.584 -7.362 17.160 230 H VAL 99 H VAL 99 7.244 -9.236 12.552 231 HA VAL 99 HA VAL 99 5.330 -8.033 10.759 232 HB VAL 99 HB VAL 99 6.080 -10.945 10.678 233 HG11 VAL 99 HG11 VAL 99 5.815 -10.680 8.331 234 HG12 VAL 99 HG12 VAL 99 5.906 -8.922 8.436 235 HG13 VAL 99 HG13 VAL 99 4.487 -9.769 9.049 236 HG21 VAL 99 HG21 VAL 99 8.149 -10.245 9.409 237 HG22 VAL 99 HG22 VAL 99 8.205 -9.837 11.123 238 HG23 VAL 99 HG23 VAL 99 7.850 -8.587 9.930 239 H ASN 100 H ASN 100 3.248 -8.756 10.345 240 HA ASN 100 HA ASN 100 1.834 -9.791 12.633 241 HB2 ASN 100 HB2 ASN 100 0.905 -9.099 9.842 242 HB3 ASN 100 HB3 ASN 100 -0.161 -9.566 11.165 243 HD21 ASN 100 HD21 ASN 100 0.412 -6.875 9.626 244 HD22 ASN 100 HD22 ASN 100 0.559 -5.754 10.891 245 H SER 101 H SER 101 1.279 -11.817 13.007 246 HA SER 101 HA SER 101 2.294 -14.005 11.587 247 HB2 SER 101 HB2 SER 101 1.592 -14.156 13.944 248 HB3 SER 101 HB3 SER 101 -0.084 -13.912 13.464 249 HG SER 101 HG SER 101 -0.160 -15.894 12.683 250 H GLN 102 H GLN 102 -0.889 -12.443 11.492 251 HA GLN 102 HA GLN 102 -2.155 -14.293 9.775 252 HB2 GLN 102 HB2 GLN 102 -2.613 -11.338 10.235 253 HB3 GLN 102 HB3 GLN 102 -3.660 -12.336 9.226 254 HG2 GLN 102 HG2 GLN 102 -4.663 -12.292 11.400 255 HG3 GLN 102 HG3 GLN 102 -3.920 -13.881 11.236 256 HE21 GLN 102 HE21 GLN 102 -3.142 -14.371 13.309 257 HE22 GLN 102 HE22 GLN 102 -2.176 -13.331 14.240 258 H GLU 103 H GLU 103 -0.212 -11.399 9.125 259 HA GLU 103 HA GLU 103 -0.607 -11.332 6.322 260 HB2 GLU 103 HB2 GLU 103 0.324 -9.437 7.614 261 HB3 GLU 103 HB3 GLU 103 1.784 -10.374 7.926 262 HG2 GLU 103 HG2 GLU 103 2.168 -8.861 6.048 263 HG3 GLU 103 HG3 GLU 103 2.170 -10.520 5.460 264 H GLU 104 H GLU 104 1.784 -12.941 8.370 265 HA GLU 104 HA GLU 104 3.450 -13.897 6.301 266 HB2 GLU 104 HB2 GLU 104 2.913 -14.944 9.087 267 HB3 GLU 104 HB3 GLU 104 4.146 -15.611 8.017 268 HG2 GLU 104 HG2 GLU 104 5.254 -13.436 7.881 269 HG3 GLU 104 HG3 GLU 104 3.992 -12.706 8.872 270 H GLU 105 H GLU 105 0.559 -15.238 7.829 271 HA GLU 105 HA GLU 105 0.656 -17.796 6.648 272 HB2 GLU 105 HB2 GLU 105 -0.839 -17.197 8.529 273 HB3 GLU 105 HB3 GLU 105 -1.779 -16.179 7.437 274 HG2 GLU 105 HG2 GLU 105 -2.342 -18.124 6.059 275 HG3 GLU 105 HG3 GLU 105 -1.342 -19.157 7.078 276 H GLU 106 H GLU 106 -0.858 -14.766 5.566 277 HA GLU 106 HA GLU 106 -2.057 -15.829 3.231 278 HB2 GLU 106 HB2 GLU 106 -1.173 -13.021 3.924 279 HB3 GLU 106 HB3 GLU 106 -2.104 -13.432 2.483 280 HG2 GLU 106 HG2 GLU 106 -2.985 -14.122 5.297 281 HG3 GLU 106 HG3 GLU 106 -3.504 -12.669 4.444 282 H GLU 107 H GLU 107 1.097 -14.356 3.848 283 HA GLU 107 HA GLU 107 1.976 -14.259 1.164 284 HB2 GLU 107 HB2 GLU 107 3.499 -14.417 3.770 285 HB3 GLU 107 HB3 GLU 107 4.274 -14.194 2.201 286 HG2 GLU 107 HG2 GLU 107 2.079 -12.386 3.236 287 HG3 GLU 107 HG3 GLU 107 3.795 -12.049 3.458 288 H GLU 108 H GLU 108 2.166 -16.772 3.641 289 HA GLU 108 HA GLU 108 3.903 -18.519 2.275 290 HB2 GLU 108 HB2 GLU 108 3.252 -18.711 4.680 291 HB3 GLU 108 HB3 GLU 108 1.658 -19.259 4.168 292 HG2 GLU 108 HG2 GLU 108 4.171 -20.639 3.217 293 HG3 GLU 108 HG3 GLU 108 3.417 -21.064 4.751 294 H LEU 109 H LEU 109 0.360 -18.245 2.281 295 HA LEU 109 HA LEU 109 -0.129 -20.475 0.608 296 HB2 LEU 109 HB2 LEU 109 -1.723 -17.957 1.123 297 HB3 LEU 109 HB3 LEU 109 -2.330 -19.318 0.183 298 HG LEU 109 HG LEU 109 -1.322 -19.549 3.033 299 HD11 LEU 109 HD11 LEU 109 -3.636 -19.565 3.735 300 HD12 LEU 109 HD12 LEU 109 -4.192 -19.476 2.064 301 HD13 LEU 109 HD13 LEU 109 -3.361 -18.101 2.793 302 HD21 LEU 109 HD21 LEU 109 -1.227 -21.723 2.193 303 HD22 LEU 109 HD22 LEU 109 -2.535 -21.460 1.042 304 HD23 LEU 109 HD23 LEU 109 -2.893 -21.683 2.755 305 H LEU 110 H LEU 110 0.415 -17.045 -0.086 306 HA LEU 110 HA LEU 110 -0.083 -17.206 -2.865 307 HB2 LEU 110 HB2 LEU 110 -0.030 -15.064 -1.652 308 HB3 LEU 110 HB3 LEU 110 1.689 -15.281 -1.337 309 HG LEU 110 HG LEU 110 2.147 -15.254 -3.768 310 HD11 LEU 110 HD11 LEU 110 0.080 -14.349 -5.159 311 HD12 LEU 110 HD12 LEU 110 -0.860 -15.140 -3.893 312 HD13 LEU 110 HD13 LEU 110 0.266 -16.077 -4.874 313 HD21 LEU 110 HD21 LEU 110 1.480 -12.855 -4.158 314 HD22 LEU 110 HD22 LEU 110 2.273 -13.141 -2.609 315 HD23 LEU 110 HD23 LEU 110 0.521 -12.941 -2.680 316 H ARG 111 H ARG 111 2.893 -17.492 -0.953 317 HA ARG 111 HA ARG 111 4.696 -17.690 -3.097 318 HB2 ARG 111 HB2 ARG 111 5.343 -17.348 -0.717 319 HB3 ARG 111 HB3 ARG 111 4.914 -19.027 -0.390 320 HG2 ARG 111 HG2 ARG 111 6.576 -19.772 -2.068 321 HG3 ARG 111 HG3 ARG 111 7.010 -18.090 -2.371 322 HD2 ARG 111 HD2 ARG 111 7.693 -17.832 -0.021 323 HD3 ARG 111 HD3 ARG 111 7.244 -19.506 0.297 324 HE ARG 111 HE ARG 111 9.186 -20.202 -0.809 325 HH11 ARG 111 HH21 ARG 111 8.600 -16.816 -1.226 326 HH12 ARG 111 HH22 ARG 111 10.152 -16.498 -1.923 327 HH21 ARG 111 HH11 ARG 111 11.222 -19.783 -1.729 328 HH22 ARG 111 HH12 ARG 111 11.634 -18.171 -2.208 329 H LYS 112 H LYS 112 2.834 -20.166 -1.379 330 HA LYS 112 HA LYS 112 3.953 -22.423 -2.627 331 HB2 LYS 112 HB2 LYS 112 2.531 -22.569 -0.634 332 HB3 LYS 112 HB3 LYS 112 1.152 -22.001 -1.576 333 HG2 LYS 112 HG2 LYS 112 1.177 -23.962 -2.962 334 HG3 LYS 112 HG3 LYS 112 2.729 -24.478 -2.302 335 HD2 LYS 112 HD2 LYS 112 1.030 -25.813 -1.241 336 HD3 LYS 112 HD3 LYS 112 1.607 -24.661 -0.042 337 HE2 LYS 112 HE2 LYS 112 -0.327 -23.248 -0.363 338 HE3 LYS 112 HE3 LYS 112 -0.856 -24.204 -1.749 339 HZ1 LYS 112 HZ1 LYS 112 -1.893 -24.617 0.566 340 HZ2 LYS 112 HZ2 LYS 112 -0.471 -25.495 0.866 341 HZ3 LYS 112 HZ3 LYS 112 -1.495 -25.944 -0.412 342 H ALA 113 H ALA 113 1.168 -20.398 -3.518 343 HA ALA 113 HA ALA 113 0.335 -21.911 -5.744 344 HB1 ALA 113 HB1 ALA 113 0.103 -18.939 -5.214 345 HB2 ALA 113 HB2 ALA 113 -1.075 -20.176 -4.776 346 HB3 ALA 113 HB3 ALA 113 -0.772 -19.809 -6.474 347 H ILE 114 H ILE 114 2.647 -19.245 -5.437 348 HA ILE 114 HA ILE 114 3.201 -18.964 -8.202 349 HB ILE 114 HB ILE 114 4.883 -18.307 -5.770 350 HG12 ILE 114 HG12 ILE 114 3.288 -16.497 -7.605 351 HG13 ILE 114 HG13 ILE 114 2.627 -17.165 -6.112 352 HG21 ILE 114 HG21 ILE 114 5.210 -17.667 -8.714 353 HG22 ILE 114 HG22 ILE 114 6.373 -18.466 -7.656 354 HG23 ILE 114 HG23 ILE 114 6.019 -16.751 -7.442 355 HD11 ILE 114 HD11 ILE 114 3.574 -14.887 -5.783 356 HD12 ILE 114 HD12 ILE 114 5.151 -15.491 -6.288 357 HD13 ILE 114 HD13 ILE 114 4.405 -16.100 -4.811 358 H ALA 115 H ALA 115 4.702 -20.892 -5.634 359 HA ALA 115 HA ALA 115 6.861 -21.909 -7.120 360 HB1 ALA 115 HB1 ALA 115 6.897 -23.722 -5.439 361 HB2 ALA 115 HB2 ALA 115 5.322 -23.192 -4.850 362 HB3 ALA 115 HB3 ALA 115 6.726 -22.137 -4.686 363 H GLU 116 H GLU 116 3.527 -23.068 -6.740 364 HA GLU 116 HA GLU 116 3.864 -25.502 -8.138 365 HB2 GLU 116 HB2 GLU 116 1.904 -24.975 -6.699 366 HB3 GLU 116 HB3 GLU 116 1.368 -23.802 -7.899 367 HG2 GLU 116 HG2 GLU 116 0.178 -25.925 -8.206 368 HG3 GLU 116 HG3 GLU 116 1.223 -25.615 -9.590 369 H SER 117 H SER 117 2.936 -22.249 -9.202 370 HA SER 117 HA SER 117 2.361 -22.910 -11.884 371 HB2 SER 117 HB2 SER 117 2.643 -20.517 -12.327 372 HB3 SER 117 HB3 SER 117 1.721 -20.769 -10.848 373 HG SER 117 HG SER 117 4.230 -19.690 -11.231 374 H LEU 118 H LEU 118 5.372 -22.042 -10.252 375 HA LEU 118 HA LEU 118 6.938 -21.869 -12.629 376 HB2 LEU 118 HB2 LEU 118 7.686 -22.300 -9.732 377 HB3 LEU 118 HB3 LEU 118 8.865 -22.056 -11.021 378 HG LEU 118 HG LEU 118 6.621 -20.118 -10.372 379 HD11 LEU 118 HD11 LEU 118 8.309 -20.369 -8.537 380 HD12 LEU 118 HD12 LEU 118 8.291 -18.759 -9.256 381 HD13 LEU 118 HD13 LEU 118 9.565 -19.902 -9.684 382 HD21 LEU 118 HD21 LEU 118 8.402 -18.618 -11.693 383 HD22 LEU 118 HD22 LEU 118 7.210 -19.581 -12.558 384 HD23 LEU 118 HD23 LEU 118 8.861 -20.174 -12.386 385 H ASN 119 H ASN 119 6.159 -24.465 -10.379 386 HA ASN 119 HA ASN 119 7.985 -26.351 -11.559 387 HB2 ASN 119 HB2 ASN 119 5.693 -26.632 -9.611 388 HB3 ASN 119 HB3 ASN 119 6.679 -27.993 -10.146 389 HD21 ASN 119 HD21 ASN 119 6.576 -26.993 -7.392 390 HD22 ASN 119 HD22 ASN 119 8.137 -26.445 -7.010 391 H SER 120 H SER 120 4.918 -25.147 -12.414 392 HA SER 120 HA SER 120 3.819 -27.491 -13.619 393 HB2 SER 120 HB2 SER 120 2.192 -26.015 -14.598 394 HB3 SER 120 HB3 SER 120 2.514 -25.435 -12.967 395 HG SER 120 HG SER 120 4.071 -24.470 -15.085 396 H CYS 121 H CYS 121 3.540 -27.841 -15.926 397 HA CYS 121 HA CYS 121 6.018 -27.465 -17.355 398 HB2 CYS 121 HB2 CYS 121 3.394 -28.767 -18.103 399 HB3 CYS 121 HB3 CYS 121 4.798 -28.718 -19.171 400 HG CYS 121 HG CYS 121 4.470 -30.771 -17.118 401 H ARG 122 H ARG 122 6.400 -26.184 -19.124 402 HA ARG 122 HA ARG 122 4.820 -23.828 -19.376 403 HB2 ARG 122 HB2 ARG 122 7.164 -24.905 -20.947 404 HB3 ARG 122 HB3 ARG 122 6.422 -23.337 -21.280 405 HG2 ARG 122 HG2 ARG 122 6.877 -22.608 -18.987 406 HG3 ARG 122 HG3 ARG 122 7.551 -24.191 -18.597 407 HD2 ARG 122 HD2 ARG 122 9.305 -23.863 -20.300 408 HD3 ARG 122 HD3 ARG 122 8.633 -22.280 -20.685 409 HE ARG 122 HE ARG 122 9.597 -21.444 -18.735 410 HH11 ARG 122 HH21 ARG 122 9.591 -24.901 -18.782 411 HH12 ARG 122 HH22 ARG 122 10.616 -25.064 -17.396 412 HH21 ARG 122 HH11 ARG 122 10.942 -21.645 -16.908 413 HH22 ARG 122 HH12 ARG 122 11.379 -23.220 -16.334 414 HA PRO 123 HA PRO 123 1.986 -25.152 -22.529 415 HB2 PRO 123 HB2 PRO 123 1.562 -22.778 -23.883 416 HB3 PRO 123 HB3 PRO 123 0.848 -23.150 -22.300 417 HG2 PRO 123 HG2 PRO 123 3.262 -21.508 -22.946 418 HG3 PRO 123 HG3 PRO 123 1.978 -21.208 -21.760 419 HD2 PRO 123 HD2 PRO 123 4.400 -22.196 -21.033 420 HD3 PRO 123 HD3 PRO 123 2.905 -22.642 -20.185 421 H SER 124 H SER 124 1.937 -25.827 -24.675 422 HA SER 124 HA SER 124 4.452 -26.027 -26.019 423 HB2 SER 124 HB2 SER 124 3.252 -27.306 -27.677 424 HB3 SER 124 HB3 SER 124 2.639 -27.762 -26.089 425 HG SER 124 HG SER 124 0.840 -26.548 -26.440 426 H ASP 125 H ASP 125 4.826 -25.352 -28.262 427 HA ASP 125 HA ASP 125 4.132 -22.568 -28.613 428 HB2 ASP 125 HB2 ASP 125 5.754 -24.504 -30.279 429 HB3 ASP 125 HB3 ASP 125 5.555 -22.796 -30.665 430 H ALA 126 H ALA 126 2.448 -21.815 -29.730 431 HA ALA 126 HA ALA 126 0.778 -23.650 -31.267 432 HB1 ALA 126 HB1 ALA 126 0.464 -20.739 -30.510 433 HB2 ALA 126 HB2 ALA 126 -0.365 -22.122 -29.796 434 HB3 ALA 126 HB3 ALA 126 -0.716 -21.646 -31.458 435 H SER 127 H SER 127 3.361 -21.543 -31.861 436 HA SER 127 HA SER 127 2.562 -20.665 -34.486 437 HB2 SER 127 HB2 SER 127 4.781 -19.731 -34.640 438 HB3 SER 127 HB3 SER 127 4.171 -19.422 -33.017 439 HG SER 127 HG SER 127 6.358 -20.285 -33.155 440 H ALA 128 H ALA 128 3.782 -23.555 -33.199 441 HA ALA 128 HA ALA 128 4.234 -25.561 -34.237 442 HB1 ALA 128 HB1 ALA 128 3.676 -25.891 -36.464 443 HB2 ALA 128 HB2 ALA 128 4.287 -24.314 -36.969 444 HB3 ALA 128 HB3 ALA 128 2.746 -24.433 -36.120 445 H THR 129 H THR 129 6.129 -23.135 -33.745 446 HA THR 129 HA THR 129 8.322 -23.437 -35.519 447 HB THR 129 HB THR 129 8.269 -22.428 -32.665 448 HG1 THR 129 HG1 THR 129 8.206 -21.057 -35.145 449 HG21 THR 129 HG21 THR 129 10.535 -22.915 -33.211 450 HG22 THR 129 HG22 THR 129 10.343 -21.188 -33.514 451 HG23 THR 129 HG23 THR 129 10.341 -22.326 -34.861 452 H ARG 130 H ARG 130 9.906 -24.900 -35.599 453 HA ARG 130 HA ARG 130 9.791 -27.250 -33.981 454 HB2 ARG 130 HB2 ARG 130 11.757 -27.961 -35.233 455 HB3 ARG 130 HB3 ARG 130 10.580 -27.246 -36.335 456 HG2 ARG 130 HG2 ARG 130 11.827 -25.056 -36.094 457 HG3 ARG 130 HG3 ARG 130 13.079 -25.944 -35.226 458 HD2 ARG 130 HD2 ARG 130 12.129 -26.559 -38.037 459 HD3 ARG 130 HD3 ARG 130 13.624 -25.719 -37.634 460 HE ARG 130 HE ARG 130 13.093 -28.573 -37.342 461 HH11 ARG 130 HH21 ARG 130 15.078 -25.843 -36.559 462 HH12 ARG 130 HH22 ARG 130 16.465 -26.797 -36.153 463 HH21 ARG 130 HH11 ARG 130 14.908 -29.824 -36.808 464 HH22 ARG 130 HH12 ARG 130 16.368 -29.049 -36.293 465 H SER 131 H SER 131 11.220 -27.970 -32.402 466 HA SER 131 HA SER 131 13.537 -26.588 -31.555 467 HB2 SER 131 HB2 SER 131 12.566 -25.764 -29.349 468 HB3 SER 131 HB3 SER 131 12.148 -24.820 -30.778 469 HG SER 131 HG SER 131 10.275 -26.463 -30.779 Start of MODEL 8 1 H1 GLY -4 H1 GLY -4 14.203 -39.596 8.350 2 H2 GLY -4 H2 GLY -4 12.551 -39.907 8.105 3 H3 GLY -4 H3 GLY -4 13.098 -38.310 8.302 4 HA2 GLY -4 HA2 GLY -4 14.003 -40.028 6.068 5 HA3 GLY -4 HA3 GLY -4 12.569 -39.007 5.954 6 HA PRO -3 HA PRO -3 16.535 -36.574 5.040 7 HB2 PRO -3 HB2 PRO -3 16.067 -36.099 2.376 8 HB3 PRO -3 HB3 PRO -3 16.946 -37.521 2.970 9 HG2 PRO -3 HG2 PRO -3 14.090 -37.282 2.121 10 HG3 PRO -3 HG3 PRO -3 15.261 -38.571 1.785 11 HD2 PRO -3 HD2 PRO -3 13.354 -38.803 3.728 12 HD3 PRO -3 HD3 PRO -3 14.947 -39.586 3.856 13 H LEU -2 H LEU -2 13.158 -36.216 4.810 14 HA LEU -2 HA LEU -2 12.817 -33.620 3.846 15 HB2 LEU -2 HB2 LEU -2 11.310 -35.315 5.824 16 HB3 LEU -2 HB3 LEU -2 10.820 -33.644 5.546 17 HG LEU -2 HG LEU -2 10.599 -34.094 3.138 18 HD11 LEU -2 HD11 LEU -2 12.233 -35.779 2.740 19 HD12 LEU -2 HD12 LEU -2 10.681 -36.575 2.475 20 HD13 LEU -2 HD13 LEU -2 11.560 -36.834 3.983 21 HD21 LEU -2 HD21 LEU -2 8.726 -34.552 4.816 22 HD22 LEU -2 HD22 LEU -2 9.154 -36.258 4.686 23 HD23 LEU -2 HD23 LEU -2 8.583 -35.382 3.266 24 H GLY -1 H GLY -1 12.835 -31.599 4.773 25 HA2 GLY -1 HA2 GLY -1 12.981 -30.742 7.330 26 HA3 GLY -1 HA3 GLY -1 14.637 -31.253 7.018 27 H SER 0 H SER 0 15.966 -29.792 6.181 28 HA SER 0 HA SER 0 15.184 -27.145 5.630 29 HB2 SER 0 HB2 SER 0 17.476 -27.798 6.313 30 HB3 SER 0 HB3 SER 0 17.706 -28.566 4.744 31 HG SER 0 HG SER 0 17.194 -26.463 3.834 32 H ARG 74 H ARG 74 15.281 -29.983 3.657 33 HA ARG 74 HA ARG 74 15.450 -28.740 1.109 34 HB2 ARG 74 HB2 ARG 74 14.300 -31.398 1.987 35 HB3 ARG 74 HB3 ARG 74 14.467 -30.908 0.300 36 HG2 ARG 74 HG2 ARG 74 16.864 -30.703 0.523 37 HG3 ARG 74 HG3 ARG 74 16.769 -30.970 2.263 38 HD2 ARG 74 HD2 ARG 74 15.910 -33.240 1.883 39 HD3 ARG 74 HD3 ARG 74 15.962 -32.978 0.143 40 HE ARG 74 HE ARG 74 18.267 -33.306 0.210 41 HH11 ARG 74 HH21 ARG 74 16.967 -32.800 3.376 42 HH12 ARG 74 HH22 ARG 74 18.432 -33.220 4.198 43 HH21 ARG 74 HH11 ARG 74 20.194 -33.861 1.280 44 HH22 ARG 74 HH12 ARG 74 20.259 -33.820 3.010 45 H LYS 75 H LYS 75 12.986 -28.774 3.450 46 HA LYS 75 HA LYS 75 10.780 -28.551 1.579 47 HB2 LYS 75 HB2 LYS 75 10.909 -28.220 4.580 48 HB3 LYS 75 HB3 LYS 75 9.425 -28.169 3.629 49 HG2 LYS 75 HG2 LYS 75 10.071 -30.474 2.745 50 HG3 LYS 75 HG3 LYS 75 11.302 -30.508 4.009 51 HD2 LYS 75 HD2 LYS 75 8.331 -30.095 4.476 52 HD3 LYS 75 HD3 LYS 75 9.196 -31.609 4.740 53 HE2 LYS 75 HE2 LYS 75 9.207 -30.692 6.888 54 HE3 LYS 75 HE3 LYS 75 10.754 -30.116 6.267 55 HZ1 LYS 75 HZ1 LYS 75 9.903 -28.156 6.962 56 HZ2 LYS 75 HZ2 LYS 75 8.288 -28.648 6.783 57 HZ3 LYS 75 HZ3 LYS 75 9.188 -28.172 5.425 58 H ILE 76 H ILE 76 13.145 -26.529 2.618 59 HA ILE 76 HA ILE 76 11.533 -24.098 2.772 60 HB ILE 76 HB ILE 76 14.547 -24.361 2.733 61 HG12 ILE 76 HG12 ILE 76 13.676 -25.689 4.576 62 HG13 ILE 76 HG13 ILE 76 14.344 -24.194 5.222 63 HG21 ILE 76 HG21 ILE 76 14.385 -22.162 3.927 64 HG22 ILE 76 HG22 ILE 76 12.647 -22.176 3.634 65 HG23 ILE 76 HG23 ILE 76 13.769 -22.104 2.275 66 HD11 ILE 76 HD11 ILE 76 11.883 -23.297 4.991 67 HD12 ILE 76 HD12 ILE 76 12.293 -24.344 6.343 68 HD13 ILE 76 HD13 ILE 76 11.461 -25.007 4.941 69 H ALA 77 H ALA 77 11.005 -22.918 1.069 70 HA ALA 77 HA ALA 77 12.153 -23.521 -1.546 71 HB1 ALA 77 HB1 ALA 77 9.662 -23.142 -1.074 72 HB2 ALA 77 HB2 ALA 77 10.351 -22.278 -2.448 73 HB3 ALA 77 HB3 ALA 77 10.066 -21.431 -0.928 74 H GLN 78 H GLN 78 13.557 -22.265 -2.632 75 HA GLN 78 HA GLN 78 14.811 -20.060 -1.230 76 HB2 GLN 78 HB2 GLN 78 15.311 -21.212 -3.985 77 HB3 GLN 78 HB3 GLN 78 16.324 -20.015 -3.181 78 HG2 GLN 78 HG2 GLN 78 17.364 -22.119 -2.762 79 HG3 GLN 78 HG3 GLN 78 16.541 -21.690 -1.263 80 HE21 GLN 78 HE21 GLN 78 15.894 -23.720 -0.458 81 HE22 GLN 78 HE22 GLN 78 14.955 -24.831 -1.334 82 H MET 79 H MET 79 14.187 -18.025 -1.372 83 HA MET 79 HA MET 79 12.196 -17.188 -3.290 84 HB2 MET 79 HB2 MET 79 12.894 -14.873 -2.043 85 HB3 MET 79 HB3 MET 79 11.771 -16.037 -1.345 86 HG2 MET 79 HG2 MET 79 13.646 -15.281 0.194 87 HG3 MET 79 HG3 MET 79 13.485 -17.027 0.001 88 HE1 MET 79 HE1 MET 79 16.270 -17.339 0.828 89 HE2 MET 79 HE2 MET 79 15.709 -15.716 1.226 90 HE3 MET 79 HE3 MET 79 17.263 -15.932 0.425 91 H THR 80 H THR 80 12.435 -15.466 -4.791 92 HA THR 80 HA THR 80 14.951 -15.539 -6.197 93 HB THR 80 HB THR 80 13.827 -14.108 -7.831 94 HG1 THR 80 HG1 THR 80 12.216 -12.918 -7.244 95 HG21 THR 80 HG21 THR 80 12.153 -16.369 -6.712 96 HG22 THR 80 HG22 THR 80 13.341 -16.459 -8.013 97 HG23 THR 80 HG23 THR 80 11.827 -15.589 -8.261 98 H GLU 82 H GLU 82 15.940 -13.429 -6.964 99 HA GLU 82 HA GLU 82 16.900 -11.976 -4.758 100 HB2 GLU 82 HB2 GLU 82 16.905 -11.370 -7.722 101 HB3 GLU 82 HB3 GLU 82 17.744 -10.374 -6.533 102 HG2 GLU 82 HG2 GLU 82 19.081 -12.295 -5.821 103 HG3 GLU 82 HG3 GLU 82 18.200 -13.345 -6.928 104 H GLU 83 H GLU 83 14.394 -11.195 -7.153 105 HA GLU 83 HA GLU 83 13.846 -8.595 -6.143 106 HB2 GLU 83 HB2 GLU 83 13.195 -9.317 -8.412 107 HB3 GLU 83 HB3 GLU 83 12.038 -10.449 -7.712 108 HG2 GLU 83 HG2 GLU 83 10.810 -8.603 -6.676 109 HG3 GLU 83 HG3 GLU 83 12.001 -7.447 -7.269 110 H GLN 84 H GLN 84 12.419 -11.794 -5.510 111 HA GLN 84 HA GLN 84 10.324 -10.907 -3.873 112 HB2 GLN 84 HB2 GLN 84 10.509 -13.170 -4.898 113 HB3 GLN 84 HB3 GLN 84 11.801 -13.540 -3.756 114 HG2 GLN 84 HG2 GLN 84 9.698 -14.400 -2.905 115 HG3 GLN 84 HG3 GLN 84 10.243 -13.075 -1.890 116 HE21 GLN 84 HE21 GLN 84 8.494 -11.772 -1.313 117 HE22 GLN 84 HE22 GLN 84 7.196 -11.381 -2.334 118 H PHE 85 H PHE 85 13.661 -11.841 -3.173 119 HA PHE 85 HA PHE 85 13.474 -11.802 -0.365 120 HB2 PHE 85 HB2 PHE 85 15.390 -12.753 -1.614 121 HB3 PHE 85 HB3 PHE 85 15.869 -11.124 -2.089 122 HD1 PHE 85 HD1 PHE 85 15.024 -13.119 0.965 123 HD2 PHE 85 HD2 PHE 85 17.374 -9.940 -0.717 124 HE1 PHE 85 HE1 PHE 85 16.227 -12.872 3.117 125 HE2 PHE 85 HE2 PHE 85 18.579 -9.693 1.438 126 HZ PHE 85 HZ PHE 85 18.005 -11.160 3.355 127 H ALA 86 H ALA 86 14.367 -9.250 -2.683 128 HA ALA 86 HA ALA 86 14.916 -7.234 -0.799 129 HB1 ALA 86 HB1 ALA 86 14.478 -5.666 -2.682 130 HB2 ALA 86 HB2 ALA 86 13.860 -7.021 -3.627 131 HB3 ALA 86 HB3 ALA 86 15.552 -6.991 -3.132 132 H LEU 87 H LEU 87 11.913 -8.244 -2.347 133 HA LEU 87 HA LEU 87 10.282 -6.146 -1.430 134 HB2 LEU 87 HB2 LEU 87 9.694 -7.891 -3.195 135 HB3 LEU 87 HB3 LEU 87 9.376 -8.996 -1.860 136 HG LEU 87 HG LEU 87 7.838 -7.080 -0.953 137 HD11 LEU 87 HD11 LEU 87 8.493 -5.322 -2.526 138 HD12 LEU 87 HD12 LEU 87 6.815 -5.750 -2.811 139 HD13 LEU 87 HD13 LEU 87 8.069 -6.349 -3.892 140 HD21 LEU 87 HD21 LEU 87 5.959 -7.910 -2.418 141 HD22 LEU 87 HD22 LEU 87 6.922 -9.192 -1.683 142 HD23 LEU 87 HD23 LEU 87 7.164 -8.769 -3.379 143 H ALA 88 H ALA 88 11.343 -9.138 0.062 144 HA ALA 88 HA ALA 88 9.560 -9.016 2.279 145 HB1 ALA 88 HB1 ALA 88 11.058 -10.668 3.304 146 HB2 ALA 88 HB2 ALA 88 12.257 -10.368 2.043 147 HB3 ALA 88 HB3 ALA 88 10.702 -11.092 1.630 148 H LEU 89 H LEU 89 12.791 -7.729 1.653 149 HA LEU 89 HA LEU 89 13.454 -6.970 4.288 150 HB2 LEU 89 HB2 LEU 89 14.250 -5.753 1.632 151 HB3 LEU 89 HB3 LEU 89 15.027 -5.383 3.170 152 HG LEU 89 HG LEU 89 14.842 -8.148 1.937 153 HD11 LEU 89 HD11 LEU 89 16.354 -6.358 0.814 154 HD12 LEU 89 HD12 LEU 89 17.070 -7.915 1.214 155 HD13 LEU 89 HD13 LEU 89 17.362 -6.521 2.251 156 HD21 LEU 89 HD21 LEU 89 16.788 -8.390 3.769 157 HD22 LEU 89 HD22 LEU 89 15.095 -8.628 4.183 158 HD23 LEU 89 HD23 LEU 89 15.877 -7.093 4.544 159 H LYS 90 H LYS 90 11.871 -5.113 1.689 160 HA LYS 90 HA LYS 90 11.614 -2.751 3.283 161 HB2 LYS 90 HB2 LYS 90 10.326 -1.869 1.468 162 HB3 LYS 90 HB3 LYS 90 11.610 -2.843 0.762 163 HG2 LYS 90 HG2 LYS 90 9.916 -3.827 -0.429 164 HG3 LYS 90 HG3 LYS 90 9.652 -4.724 1.042 165 HD2 LYS 90 HD2 LYS 90 8.054 -2.879 1.767 166 HD3 LYS 90 HD3 LYS 90 8.187 -2.262 0.123 167 HE2 LYS 90 HE2 LYS 90 7.314 -4.326 -0.793 168 HE3 LYS 90 HE3 LYS 90 7.352 -5.100 0.792 169 HZ1 LYS 90 HZ1 LYS 90 5.883 -3.061 1.424 170 HZ2 LYS 90 HZ2 LYS 90 5.189 -4.429 0.691 171 HZ3 LYS 90 HZ3 LYS 90 5.532 -3.045 -0.234 172 H MET 91 H MET 91 9.677 -5.620 2.787 173 HA MET 91 HA MET 91 7.223 -4.649 3.783 174 HB2 MET 91 HB2 MET 91 7.586 -6.824 2.554 175 HB3 MET 91 HB3 MET 91 8.271 -7.476 4.043 176 HG2 MET 91 HG2 MET 91 5.945 -8.098 4.008 177 HG3 MET 91 HG3 MET 91 6.117 -6.815 5.206 178 HE1 MET 91 HE1 MET 91 3.864 -6.175 5.365 179 HE2 MET 91 HE2 MET 91 3.201 -7.332 4.214 180 HE3 MET 91 HE3 MET 91 2.770 -5.628 4.088 181 H SER 92 H SER 92 9.988 -6.190 5.380 182 HA SER 92 HA SER 92 8.839 -6.278 7.974 183 HB2 SER 92 HB2 SER 92 11.729 -6.211 7.087 184 HB3 SER 92 HB3 SER 92 11.202 -6.520 8.740 185 HG SER 92 HG SER 92 10.496 -8.441 8.166 186 H GLU 93 H GLU 93 10.848 -3.885 6.292 187 HA GLU 93 HA GLU 93 11.214 -2.148 8.503 188 HB2 GLU 93 HB2 GLU 93 11.245 -1.665 5.519 189 HB3 GLU 93 HB3 GLU 93 11.648 -0.421 6.701 190 HG2 GLU 93 HG2 GLU 93 13.481 -1.740 7.565 191 HG3 GLU 93 HG3 GLU 93 13.014 -3.121 6.573 192 H GLN 94 H GLN 94 8.704 -2.330 6.002 193 HA GLN 94 HA GLN 94 7.353 0.056 6.731 194 HB2 GLN 94 HB2 GLN 94 6.724 -2.367 5.093 195 HB3 GLN 94 HB3 GLN 94 5.361 -1.377 5.610 196 HG2 GLN 94 HG2 GLN 94 6.194 -0.640 3.413 197 HG3 GLN 94 HG3 GLN 94 6.428 0.619 4.623 198 HE21 GLN 94 HE21 GLN 94 8.692 0.695 5.626 199 HE22 GLN 94 HE22 GLN 94 10.006 0.262 4.641 200 H GLU 95 H GLU 95 7.100 -3.284 7.825 201 HA GLU 95 HA GLU 95 4.776 -2.835 9.439 202 HB2 GLU 95 HB2 GLU 95 6.835 -5.049 9.395 203 HB3 GLU 95 HB3 GLU 95 5.425 -5.050 10.454 204 HG2 GLU 95 HG2 GLU 95 3.926 -4.953 8.538 205 HG3 GLU 95 HG3 GLU 95 5.297 -4.826 7.436 206 H ALA 96 H ALA 96 8.138 -2.222 9.805 207 HA ALA 96 HA ALA 96 9.318 -1.206 11.491 208 HB1 ALA 96 HB1 ALA 96 8.184 0.116 13.043 209 HB2 ALA 96 HB2 ALA 96 6.830 -1.006 13.167 210 HB3 ALA 96 HB3 ALA 96 7.013 0.002 11.731 211 H ARG 97 H ARG 97 8.944 -4.064 11.342 212 HA ARG 97 HA ARG 97 10.055 -4.803 13.857 213 HB2 ARG 97 HB2 ARG 97 8.239 -6.284 14.646 214 HB3 ARG 97 HB3 ARG 97 7.734 -4.599 14.614 215 HG2 ARG 97 HG2 ARG 97 6.693 -4.970 12.394 216 HG3 ARG 97 HG3 ARG 97 7.124 -6.677 12.493 217 HD2 ARG 97 HD2 ARG 97 5.768 -6.926 14.516 218 HD3 ARG 97 HD3 ARG 97 5.380 -5.209 14.490 219 HE ARG 97 HE ARG 97 4.640 -6.428 12.025 220 HH11 ARG 97 HH21 ARG 97 3.785 -6.174 15.367 221 HH12 ARG 97 HH22 ARG 97 2.097 -6.456 15.101 222 HH21 ARG 97 HH11 ARG 97 2.426 -6.794 11.666 223 HH22 ARG 97 HH12 ARG 97 1.327 -6.807 13.005 224 H GLU 98 H GLU 98 8.838 -7.546 13.624 225 HA GLU 98 HA GLU 98 9.245 -9.533 12.579 226 HB2 GLU 98 HB2 GLU 98 8.286 -8.178 10.610 227 HB3 GLU 98 HB3 GLU 98 9.950 -8.004 10.069 228 HG2 GLU 98 HG2 GLU 98 9.094 -9.944 8.964 229 HG3 GLU 98 HG3 GLU 98 10.144 -10.540 10.245 230 H VAL 99 H VAL 99 11.360 -9.056 10.189 231 HA VAL 99 HA VAL 99 13.562 -10.135 11.598 232 HB VAL 99 HB VAL 99 13.850 -8.681 8.978 233 HG11 VAL 99 HG11 VAL 99 15.779 -9.836 10.117 234 HG12 VAL 99 HG12 VAL 99 15.418 -10.463 8.507 235 HG13 VAL 99 HG13 VAL 99 14.908 -11.359 9.939 236 HG21 VAL 99 HG21 VAL 99 11.791 -9.857 8.621 237 HG22 VAL 99 HG22 VAL 99 12.352 -11.267 9.520 238 HG23 VAL 99 HG23 VAL 99 13.042 -10.895 7.940 239 H ASN 100 H ASN 100 15.586 -9.198 12.045 240 HA ASN 100 HA ASN 100 15.434 -6.500 13.021 241 HB2 ASN 100 HB2 ASN 100 16.727 -8.307 14.155 242 HB3 ASN 100 HB3 ASN 100 17.843 -8.312 12.793 243 HD21 ASN 100 HD21 ASN 100 19.019 -7.705 15.183 244 HD22 ASN 100 HD22 ASN 100 19.333 -6.042 15.310 245 H SER 101 H SER 101 15.948 -4.711 11.967 246 HA SER 101 HA SER 101 16.575 -4.596 9.249 247 HB2 SER 101 HB2 SER 101 17.064 -2.220 9.638 248 HB3 SER 101 HB3 SER 101 15.606 -2.704 10.500 249 HG SER 101 HG SER 101 16.953 -2.978 12.364 250 H GLN 102 H GLN 102 18.690 -4.575 12.095 251 HA GLN 102 HA GLN 102 21.090 -3.897 10.764 252 HB2 GLN 102 HB2 GLN 102 20.812 -3.871 13.225 253 HB3 GLN 102 HB3 GLN 102 20.709 -5.631 13.218 254 HG2 GLN 102 HG2 GLN 102 22.968 -5.793 12.292 255 HG3 GLN 102 HG3 GLN 102 23.076 -4.036 12.199 256 HE21 GLN 102 HE21 GLN 102 24.452 -3.360 13.841 257 HE22 GLN 102 HE22 GLN 102 24.411 -3.928 15.439 258 H GLU 103 H GLU 103 19.578 -7.030 11.461 259 HA GLU 103 HA GLU 103 21.642 -8.647 10.404 260 HB2 GLU 103 HB2 GLU 103 18.681 -9.147 10.775 261 HB3 GLU 103 HB3 GLU 103 19.813 -10.385 10.235 262 HG2 GLU 103 HG2 GLU 103 20.114 -8.817 12.812 263 HG3 GLU 103 HG3 GLU 103 19.409 -10.429 12.713 264 H GLU 104 H GLU 104 18.838 -7.096 8.964 265 HA GLU 104 HA GLU 104 18.933 -8.369 6.450 266 HB2 GLU 104 HB2 GLU 104 17.922 -5.650 7.291 267 HB3 GLU 104 HB3 GLU 104 17.733 -6.289 5.660 268 HG2 GLU 104 HG2 GLU 104 16.514 -8.231 6.538 269 HG3 GLU 104 HG3 GLU 104 16.746 -7.650 8.184 270 H GLU 105 H GLU 105 20.603 -5.521 7.731 271 HA GLU 105 HA GLU 105 21.711 -4.605 5.309 272 HB2 GLU 105 HB2 GLU 105 22.620 -4.401 8.182 273 HB3 GLU 105 HB3 GLU 105 23.497 -3.633 6.858 274 HG2 GLU 105 HG2 GLU 105 20.542 -3.204 7.334 275 HG3 GLU 105 HG3 GLU 105 21.783 -2.160 8.027 276 H GLU 106 H GLU 106 22.948 -6.904 7.742 277 HA GLU 106 HA GLU 106 25.406 -7.392 6.375 278 HB2 GLU 106 HB2 GLU 106 23.872 -8.933 8.475 279 HB3 GLU 106 HB3 GLU 106 25.390 -9.530 7.805 280 HG2 GLU 106 HG2 GLU 106 26.048 -8.343 9.737 281 HG3 GLU 106 HG3 GLU 106 26.363 -7.210 8.433 282 H GLU 107 H GLU 107 22.254 -9.001 6.326 283 HA GLU 107 HA GLU 107 23.027 -11.162 4.663 284 HB2 GLU 107 HB2 GLU 107 20.348 -9.874 5.193 285 HB3 GLU 107 HB3 GLU 107 20.549 -11.318 4.201 286 HG2 GLU 107 HG2 GLU 107 21.563 -12.510 6.072 287 HG3 GLU 107 HG3 GLU 107 21.491 -11.061 7.070 288 H GLU 108 H GLU 108 21.747 -7.934 3.975 289 HA GLU 108 HA GLU 108 21.324 -8.307 1.212 290 HB2 GLU 108 HB2 GLU 108 20.402 -6.398 2.483 291 HB3 GLU 108 HB3 GLU 108 22.031 -5.767 2.710 292 HG2 GLU 108 HG2 GLU 108 20.936 -4.620 0.843 293 HG3 GLU 108 HG3 GLU 108 22.284 -5.577 0.249 294 H LEU 109 H LEU 109 24.138 -7.142 3.038 295 HA LEU 109 HA LEU 109 25.752 -6.541 0.795 296 HB2 LEU 109 HB2 LEU 109 26.421 -7.265 3.649 297 HB3 LEU 109 HB3 LEU 109 27.640 -6.784 2.474 298 HG LEU 109 HG LEU 109 25.199 -5.098 3.097 299 HD11 LEU 109 HD11 LEU 109 26.444 -5.327 5.160 300 HD12 LEU 109 HD12 LEU 109 26.774 -3.728 4.494 301 HD13 LEU 109 HD13 LEU 109 27.968 -5.016 4.328 302 HD21 LEU 109 HD21 LEU 109 26.924 -3.301 2.254 303 HD22 LEU 109 HD22 LEU 109 26.110 -4.307 1.069 304 HD23 LEU 109 HD23 LEU 109 27.763 -4.681 1.550 305 H LEU 110 H LEU 110 25.306 -9.477 2.700 306 HA LEU 110 HA LEU 110 27.376 -10.979 1.521 307 HB2 LEU 110 HB2 LEU 110 26.234 -11.674 3.589 308 HB3 LEU 110 HB3 LEU 110 24.747 -11.937 2.681 309 HG LEU 110 HG LEU 110 25.882 -13.662 1.312 310 HD11 LEU 110 HD11 LEU 110 28.172 -14.431 2.429 311 HD12 LEU 110 HD12 LEU 110 28.255 -12.738 2.908 312 HD13 LEU 110 HD13 LEU 110 28.149 -13.168 1.202 313 HD21 LEU 110 HD21 LEU 110 24.737 -14.160 3.536 314 HD22 LEU 110 HD22 LEU 110 26.348 -14.224 4.250 315 HD23 LEU 110 HD23 LEU 110 25.897 -15.369 2.986 316 H ARG 111 H ARG 111 23.951 -10.608 0.665 317 HA ARG 111 HA ARG 111 23.877 -12.488 -1.417 318 HB2 ARG 111 HB2 ARG 111 21.870 -11.431 -0.425 319 HB3 ARG 111 HB3 ARG 111 22.319 -9.902 -1.181 320 HG2 ARG 111 HG2 ARG 111 22.155 -10.929 -3.408 321 HG3 ARG 111 HG3 ARG 111 21.762 -12.484 -2.673 322 HD2 ARG 111 HD2 ARG 111 20.127 -9.956 -2.328 323 HD3 ARG 111 HD3 ARG 111 19.745 -11.243 -3.469 324 HE ARG 111 HE ARG 111 19.374 -11.314 -0.592 325 HH11 ARG 111 HH21 ARG 111 19.764 -13.096 -3.533 326 HH12 ARG 111 HH22 ARG 111 18.976 -14.520 -2.937 327 HH21 ARG 111 HH11 ARG 111 18.340 -13.178 0.196 328 HH22 ARG 111 HH12 ARG 111 18.171 -14.565 -0.826 329 H LYS 112 H LYS 112 24.663 -9.028 -1.445 330 HA LYS 112 HA LYS 112 25.000 -8.786 -4.236 331 HB2 LYS 112 HB2 LYS 112 26.162 -7.222 -1.929 332 HB3 LYS 112 HB3 LYS 112 26.415 -6.783 -3.619 333 HG2 LYS 112 HG2 LYS 112 23.964 -6.657 -3.946 334 HG3 LYS 112 HG3 LYS 112 23.726 -7.061 -2.245 335 HD2 LYS 112 HD2 LYS 112 24.954 -5.040 -1.575 336 HD3 LYS 112 HD3 LYS 112 25.233 -4.637 -3.270 337 HE2 LYS 112 HE2 LYS 112 22.798 -4.478 -3.638 338 HE3 LYS 112 HE3 LYS 112 22.515 -4.883 -1.948 339 HZ1 LYS 112 HZ1 LYS 112 22.427 -2.543 -2.125 340 HZ2 LYS 112 HZ2 LYS 112 23.865 -2.478 -3.027 341 HZ3 LYS 112 HZ3 LYS 112 23.910 -2.905 -1.384 342 H ALA 113 H ALA 113 27.222 -9.708 -1.649 343 HA ALA 113 HA ALA 113 29.607 -9.681 -3.139 344 HB1 ALA 113 HB1 ALA 113 28.821 -11.474 -0.826 345 HB2 ALA 113 HB2 ALA 113 29.562 -9.878 -0.690 346 HB3 ALA 113 HB3 ALA 113 30.466 -11.212 -1.406 347 H ILE 114 H ILE 114 27.168 -12.217 -2.670 348 HA ILE 114 HA ILE 114 28.560 -14.267 -4.044 349 HB ILE 114 HB ILE 114 25.595 -13.845 -3.611 350 HG12 ILE 114 HG12 ILE 114 26.907 -14.062 -1.541 351 HG13 ILE 114 HG13 ILE 114 25.898 -15.478 -1.790 352 HG21 ILE 114 HG21 ILE 114 25.767 -15.369 -5.426 353 HG22 ILE 114 HG22 ILE 114 25.555 -16.376 -3.994 354 HG23 ILE 114 HG23 ILE 114 27.156 -16.185 -4.709 355 HD11 ILE 114 HD11 ILE 114 27.882 -16.530 -1.261 356 HD12 ILE 114 HD12 ILE 114 28.873 -15.223 -1.893 357 HD13 ILE 114 HD13 ILE 114 28.139 -16.375 -2.998 358 H ALA 115 H ALA 115 26.196 -11.853 -5.123 359 HA ALA 115 HA ALA 115 25.933 -12.769 -7.771 360 HB1 ALA 115 HB1 ALA 115 24.905 -10.689 -8.231 361 HB2 ALA 115 HB2 ALA 115 25.816 -9.865 -6.964 362 HB3 ALA 115 HB3 ALA 115 24.541 -11.006 -6.536 363 H GLU 116 H GLU 116 28.224 -10.506 -6.287 364 HA GLU 116 HA GLU 116 29.506 -9.704 -8.681 365 HB2 GLU 116 HB2 GLU 116 30.470 -9.792 -5.817 366 HB3 GLU 116 HB3 GLU 116 31.392 -9.070 -7.136 367 HG2 GLU 116 HG2 GLU 116 28.547 -8.270 -6.478 368 HG3 GLU 116 HG3 GLU 116 29.956 -7.442 -5.817 369 H SER 117 H SER 117 30.092 -12.362 -6.423 370 HA SER 117 HA SER 117 32.534 -13.262 -7.494 371 HB2 SER 117 HB2 SER 117 31.662 -14.039 -5.332 372 HB3 SER 117 HB3 SER 117 30.332 -14.854 -6.152 373 HG SER 117 HG SER 117 33.094 -15.432 -6.181 374 H LEU 118 H LEU 118 29.178 -14.042 -8.316 375 HA LEU 118 HA LEU 118 29.773 -16.072 -10.205 376 HB2 LEU 118 HB2 LEU 118 27.377 -14.248 -9.923 377 HB3 LEU 118 HB3 LEU 118 27.448 -15.622 -11.023 378 HG LEU 118 HG LEU 118 27.867 -15.798 -8.025 379 HD11 LEU 118 HD11 LEU 118 25.431 -16.322 -9.747 380 HD12 LEU 118 HD12 LEU 118 25.579 -15.199 -8.396 381 HD13 LEU 118 HD13 LEU 118 25.600 -16.938 -8.103 382 HD21 LEU 118 HD21 LEU 118 28.917 -17.711 -8.820 383 HD22 LEU 118 HD22 LEU 118 27.928 -17.789 -10.277 384 HD23 LEU 118 HD23 LEU 118 27.266 -18.311 -8.732 385 H ASN 119 H ASN 119 29.451 -12.572 -10.453 386 HA ASN 119 HA ASN 119 29.864 -12.651 -13.358 387 HB2 ASN 119 HB2 ASN 119 29.435 -10.318 -11.475 388 HB3 ASN 119 HB3 ASN 119 29.495 -10.224 -13.235 389 HD21 ASN 119 HD21 ASN 119 27.888 -12.082 -14.239 390 HD22 ASN 119 HD22 ASN 119 26.333 -12.060 -13.558 391 H SER 120 H SER 120 31.799 -12.862 -10.730 392 HA SER 120 HA SER 120 33.867 -10.988 -11.436 393 HB2 SER 120 HB2 SER 120 33.665 -11.661 -9.122 394 HB3 SER 120 HB3 SER 120 33.859 -13.356 -9.555 395 HG SER 120 HG SER 120 35.729 -11.333 -9.333 396 H CYS 121 H CYS 121 35.864 -11.423 -12.372 397 HA CYS 121 HA CYS 121 35.846 -13.464 -14.396 398 HB2 CYS 121 HB2 CYS 121 37.968 -11.487 -13.544 399 HB3 CYS 121 HB3 CYS 121 38.128 -12.585 -14.916 400 HG CYS 121 HG CYS 121 36.079 -11.390 -16.041 401 H ARG 122 H ARG 122 37.713 -14.941 -14.701 402 HA ARG 122 HA ARG 122 37.967 -16.587 -12.441 403 HB2 ARG 122 HB2 ARG 122 39.447 -16.624 -15.060 404 HB3 ARG 122 HB3 ARG 122 39.595 -17.877 -13.830 405 HG2 ARG 122 HG2 ARG 122 37.198 -18.325 -13.944 406 HG3 ARG 122 HG3 ARG 122 36.991 -17.030 -15.124 407 HD2 ARG 122 HD2 ARG 122 38.473 -18.215 -16.694 408 HD3 ARG 122 HD3 ARG 122 38.699 -19.503 -15.514 409 HE ARG 122 HE ARG 122 36.575 -20.307 -16.046 410 HH11 ARG 122 HH21 ARG 122 37.102 -17.139 -17.335 411 HH12 ARG 122 HH22 ARG 122 35.670 -17.143 -18.307 412 HH21 ARG 122 HH11 ARG 122 34.691 -20.320 -17.318 413 HH22 ARG 122 HH12 ARG 122 34.305 -18.945 -18.297 414 HA PRO 123 HA PRO 123 41.484 -14.948 -10.246 415 HB2 PRO 123 HB2 PRO 123 42.582 -17.743 -10.219 416 HB3 PRO 123 HB3 PRO 123 42.299 -16.629 -8.867 417 HG2 PRO 123 HG2 PRO 123 40.682 -18.683 -9.292 418 HG3 PRO 123 HG3 PRO 123 40.039 -17.113 -8.770 419 HD2 PRO 123 HD2 PRO 123 39.967 -18.369 -11.502 420 HD3 PRO 123 HD3 PRO 123 38.753 -17.375 -10.665 421 H SER 124 H SER 124 43.578 -14.229 -10.669 422 HA SER 124 HA SER 124 44.549 -14.414 -13.335 423 HB2 SER 124 HB2 SER 124 45.887 -13.403 -10.815 424 HB3 SER 124 HB3 SER 124 46.517 -13.179 -12.445 425 HG SER 124 HG SER 124 44.551 -12.096 -12.942 426 H ASP 125 H ASP 125 46.369 -15.460 -14.160 427 HA ASP 125 HA ASP 125 46.906 -18.050 -13.157 428 HB2 ASP 125 HB2 ASP 125 48.297 -16.328 -15.210 429 HB3 ASP 125 HB3 ASP 125 48.809 -17.975 -14.845 430 H ALA 126 H ALA 126 48.400 -18.809 -11.783 431 HA ALA 126 HA ALA 126 49.831 -17.063 -10.075 432 HB1 ALA 126 HB1 ALA 126 49.057 -19.420 -9.546 433 HB2 ALA 126 HB2 ALA 126 50.704 -19.030 -9.048 434 HB3 ALA 126 HB3 ALA 126 50.426 -19.993 -10.499 435 H SER 127 H SER 127 50.730 -18.876 -12.955 436 HA SER 127 HA SER 127 53.543 -18.320 -12.719 437 HB2 SER 127 HB2 SER 127 52.676 -20.301 -13.930 438 HB3 SER 127 HB3 SER 127 51.954 -19.230 -15.130 439 HG SER 127 HG SER 127 54.375 -20.172 -15.139 440 H ALA 128 H ALA 128 50.808 -16.607 -13.870 441 HA ALA 128 HA ALA 128 50.649 -14.427 -14.610 442 HB1 ALA 128 HB1 ALA 128 52.463 -12.988 -14.467 443 HB2 ALA 128 HB2 ALA 128 53.609 -14.191 -15.055 444 HB3 ALA 128 HB3 ALA 128 53.005 -14.282 -13.400 445 H THR 129 H THR 129 51.146 -17.014 -16.241 446 HA THR 129 HA THR 129 52.219 -16.095 -18.743 447 HB THR 129 HB THR 129 52.274 -18.477 -18.008 448 HG1 THR 129 HG1 THR 129 51.163 -19.159 -20.130 449 HG21 THR 129 HG21 THR 129 49.357 -18.594 -18.758 450 HG22 THR 129 HG22 THR 129 49.856 -18.304 -17.091 451 HG23 THR 129 HG23 THR 129 50.322 -19.797 -17.905 452 H ARG 130 H ARG 130 51.198 -15.120 -20.380 453 HA ARG 130 HA ARG 130 48.469 -14.264 -20.054 454 HB2 ARG 130 HB2 ARG 130 50.405 -13.950 -22.361 455 HB3 ARG 130 HB3 ARG 130 48.824 -13.172 -22.260 456 HG2 ARG 130 HG2 ARG 130 49.506 -12.047 -20.174 457 HG3 ARG 130 HG3 ARG 130 51.087 -12.824 -20.270 458 HD2 ARG 130 HD2 ARG 130 51.258 -10.570 -21.172 459 HD3 ARG 130 HD3 ARG 130 51.449 -11.732 -22.481 460 HE ARG 130 HE ARG 130 48.717 -10.962 -22.218 461 HH11 ARG 130 HH21 ARG 130 51.823 -9.877 -23.290 462 HH12 ARG 130 HH22 ARG 130 51.187 -8.801 -24.489 463 HH21 ARG 130 HH11 ARG 130 47.875 -9.556 -23.789 464 HH22 ARG 130 HH12 ARG 130 48.952 -8.619 -24.772 465 H SER 131 H SER 131 46.678 -14.857 -21.257 466 HA SER 131 HA SER 131 46.858 -16.813 -23.373 467 HB2 SER 131 HB2 SER 131 47.054 -18.179 -21.258 468 HB3 SER 131 HB3 SER 131 45.435 -17.629 -20.834 469 HG SER 131 HG SER 131 44.769 -19.182 -22.074 Start of MODEL 9 1 H1 GLY -4 H1 GLY -4 6.535 -31.655 0.695 2 H2 GLY -4 H2 GLY -4 5.692 -32.857 -0.162 3 H3 GLY -4 H3 GLY -4 7.131 -32.208 -0.795 4 HA2 GLY -4 HA2 GLY -4 7.288 -33.430 1.849 5 HA3 GLY -4 HA3 GLY -4 7.071 -34.513 0.473 6 HA PRO -3 HA PRO -3 11.575 -32.994 0.979 7 HB2 PRO -3 HB2 PRO -3 12.663 -35.400 1.800 8 HB3 PRO -3 HB3 PRO -3 12.095 -34.143 2.918 9 HG2 PRO -3 HG2 PRO -3 10.714 -36.633 2.015 10 HG3 PRO -3 HG3 PRO -3 10.780 -35.905 3.630 11 HD2 PRO -3 HD2 PRO -3 8.610 -35.627 2.013 12 HD3 PRO -3 HD3 PRO -3 9.110 -34.352 3.148 13 H LEU -2 H LEU -2 9.963 -35.771 -0.388 14 HA LEU -2 HA LEU -2 12.085 -36.500 -2.174 15 HB2 LEU -2 HB2 LEU -2 10.376 -38.131 -1.475 16 HB3 LEU -2 HB3 LEU -2 9.133 -37.174 -2.279 17 HG LEU -2 HG LEU -2 10.298 -37.496 -4.449 18 HD11 LEU -2 HD11 LEU -2 12.569 -37.804 -4.021 19 HD12 LEU -2 HD12 LEU -2 12.068 -39.466 -4.322 20 HD13 LEU -2 HD13 LEU -2 12.277 -38.895 -2.666 21 HD21 LEU -2 HD21 LEU -2 9.726 -40.063 -2.938 22 HD22 LEU -2 HD22 LEU -2 9.791 -39.903 -4.693 23 HD23 LEU -2 HD23 LEU -2 8.536 -39.070 -3.778 24 H GLY -1 H GLY -1 12.574 -35.663 -4.108 25 HA2 GLY -1 HA2 GLY -1 12.196 -34.677 -6.201 26 HA3 GLY -1 HA3 GLY -1 10.566 -34.254 -5.690 27 H SER 0 H SER 0 13.957 -33.359 -5.501 28 HA SER 0 HA SER 0 13.582 -30.977 -3.978 29 HB2 SER 0 HB2 SER 0 15.811 -31.844 -5.826 30 HB3 SER 0 HB3 SER 0 15.865 -30.396 -4.823 31 HG SER 0 HG SER 0 16.423 -31.651 -3.245 32 H ARG 74 H ARG 74 13.073 -31.798 -7.278 33 HA ARG 74 HA ARG 74 13.390 -29.224 -8.442 34 HB2 ARG 74 HB2 ARG 74 11.978 -31.756 -9.252 35 HB3 ARG 74 HB3 ARG 74 11.754 -30.283 -10.196 36 HG2 ARG 74 HG2 ARG 74 13.606 -31.652 -11.096 37 HG3 ARG 74 HG3 ARG 74 14.189 -30.097 -10.502 38 HD2 ARG 74 HD2 ARG 74 15.038 -31.074 -8.496 39 HD3 ARG 74 HD3 ARG 74 14.191 -32.591 -8.793 40 HE ARG 74 HE ARG 74 15.894 -32.197 -10.959 41 HH11 ARG 74 HH21 ARG 74 16.091 -32.555 -7.522 42 HH12 ARG 74 HH22 ARG 74 17.656 -33.298 -7.552 43 HH21 ARG 74 HH11 ARG 74 17.944 -33.168 -11.005 44 HH22 ARG 74 HH12 ARG 74 18.704 -33.645 -9.524 45 H LYS 75 H LYS 75 11.025 -30.534 -6.366 46 HA LYS 75 HA LYS 75 8.917 -28.712 -7.238 47 HB2 LYS 75 HB2 LYS 75 9.015 -30.677 -4.950 48 HB3 LYS 75 HB3 LYS 75 7.587 -29.771 -5.454 49 HG2 LYS 75 HG2 LYS 75 7.933 -30.814 -7.772 50 HG3 LYS 75 HG3 LYS 75 9.076 -31.907 -6.992 51 HD2 LYS 75 HD2 LYS 75 6.192 -31.548 -6.128 52 HD3 LYS 75 HD3 LYS 75 6.770 -32.864 -7.149 53 HE2 LYS 75 HE2 LYS 75 8.414 -33.427 -5.288 54 HE3 LYS 75 HE3 LYS 75 7.528 -32.287 -4.278 55 HZ1 LYS 75 HZ1 LYS 75 6.033 -34.353 -5.718 56 HZ2 LYS 75 HZ2 LYS 75 5.681 -33.589 -4.242 57 HZ3 LYS 75 HZ3 LYS 75 6.881 -34.789 -4.315 58 H ILE 76 H ILE 76 11.635 -28.289 -5.588 59 HA ILE 76 HA ILE 76 10.599 -26.751 -3.340 60 HB ILE 76 HB ILE 76 13.424 -27.128 -4.368 61 HG12 ILE 76 HG12 ILE 76 12.070 -28.286 -1.915 62 HG13 ILE 76 HG13 ILE 76 12.201 -29.152 -3.446 63 HG21 ILE 76 HG21 ILE 76 13.955 -26.271 -2.013 64 HG22 ILE 76 HG22 ILE 76 12.279 -25.725 -1.944 65 HG23 ILE 76 HG23 ILE 76 13.372 -25.068 -3.161 66 HD11 ILE 76 HD11 ILE 76 14.042 -29.783 -1.935 67 HD12 ILE 76 HD12 ILE 76 14.525 -28.091 -1.810 68 HD13 ILE 76 HD13 ILE 76 14.664 -28.936 -3.352 69 H ALA 77 H ALA 77 10.035 -24.683 -3.471 70 HA ALA 77 HA ALA 77 10.795 -23.123 -5.852 71 HB1 ALA 77 HB1 ALA 77 9.038 -21.548 -5.021 72 HB2 ALA 77 HB2 ALA 77 8.712 -22.674 -3.704 73 HB3 ALA 77 HB3 ALA 77 8.428 -23.165 -5.374 74 H GLN 78 H GLN 78 12.693 -22.115 -5.600 75 HA GLN 78 HA GLN 78 13.561 -21.115 -3.014 76 HB2 GLN 78 HB2 GLN 78 14.799 -20.978 -5.773 77 HB3 GLN 78 HB3 GLN 78 15.559 -20.346 -4.312 78 HG2 GLN 78 HG2 GLN 78 15.495 -22.579 -3.289 79 HG3 GLN 78 HG3 GLN 78 14.700 -23.223 -4.724 80 HE21 GLN 78 HE21 GLN 78 17.687 -23.064 -3.300 81 HE22 GLN 78 HE22 GLN 78 18.664 -23.137 -4.686 82 H MET 79 H MET 79 13.804 -18.963 -2.443 83 HA MET 79 HA MET 79 11.927 -17.131 -3.584 84 HB2 MET 79 HB2 MET 79 14.117 -16.785 -1.526 85 HB3 MET 79 HB3 MET 79 12.980 -15.512 -1.971 86 HG2 MET 79 HG2 MET 79 11.104 -17.087 -1.389 87 HG3 MET 79 HG3 MET 79 12.311 -18.209 -0.764 88 HE1 MET 79 HE1 MET 79 14.511 -16.211 0.758 89 HE2 MET 79 HE2 MET 79 13.889 -17.853 0.901 90 HE3 MET 79 HE3 MET 79 13.778 -16.756 2.273 91 H THR 80 H THR 80 12.222 -15.503 -5.011 92 HA THR 80 HA THR 80 14.707 -15.440 -6.509 93 HB THR 80 HB THR 80 13.526 -13.904 -7.991 94 HG1 THR 80 HG1 THR 80 12.068 -13.536 -5.756 95 HG21 THR 80 HG21 THR 80 13.069 -16.214 -8.412 96 HG22 THR 80 HG22 THR 80 11.512 -15.387 -8.476 97 HG23 THR 80 HG23 THR 80 11.963 -16.313 -7.044 98 H GLU 82 H GLU 82 15.653 -13.270 -7.094 99 HA GLU 82 HA GLU 82 16.583 -11.965 -4.776 100 HB2 GLU 82 HB2 GLU 82 17.812 -12.002 -6.930 101 HB3 GLU 82 HB3 GLU 82 16.584 -10.948 -7.631 102 HG2 GLU 82 HG2 GLU 82 17.109 -9.196 -6.013 103 HG3 GLU 82 HG3 GLU 82 18.265 -10.252 -5.205 104 H GLU 83 H GLU 83 14.088 -11.087 -7.145 105 HA GLU 83 HA GLU 83 13.485 -8.540 -6.078 106 HB2 GLU 83 HB2 GLU 83 12.763 -9.334 -8.327 107 HB3 GLU 83 HB3 GLU 83 11.629 -10.434 -7.544 108 HG2 GLU 83 HG2 GLU 83 10.424 -8.427 -8.180 109 HG3 GLU 83 HG3 GLU 83 10.569 -8.443 -6.425 110 H GLN 84 H GLN 84 12.187 -11.778 -5.431 111 HA GLN 84 HA GLN 84 10.122 -10.990 -3.676 112 HB2 GLN 84 HB2 GLN 84 11.672 -13.563 -3.953 113 HB3 GLN 84 HB3 GLN 84 10.328 -13.369 -2.825 114 HG2 GLN 84 HG2 GLN 84 8.772 -12.979 -4.574 115 HG3 GLN 84 HG3 GLN 84 10.044 -12.691 -5.757 116 HE21 GLN 84 HE21 GLN 84 8.927 -14.461 -7.042 117 HE22 GLN 84 HE22 GLN 84 9.264 -16.079 -6.656 118 H PHE 85 H PHE 85 13.507 -11.835 -3.122 119 HA PHE 85 HA PHE 85 13.440 -11.804 -0.303 120 HB2 PHE 85 HB2 PHE 85 15.315 -12.742 -1.603 121 HB3 PHE 85 HB3 PHE 85 15.742 -11.120 -2.148 122 HD1 PHE 85 HD1 PHE 85 15.339 -13.246 0.887 123 HD2 PHE 85 HD2 PHE 85 17.037 -9.666 -0.775 124 HE1 PHE 85 HE1 PHE 85 16.647 -12.901 2.965 125 HE2 PHE 85 HE2 PHE 85 18.345 -9.323 1.304 126 HZ PHE 85 HZ PHE 85 18.150 -10.940 3.174 127 H ALA 86 H ALA 86 14.202 -9.247 -2.660 128 HA ALA 86 HA ALA 86 14.851 -7.223 -0.827 129 HB1 ALA 86 HB1 ALA 86 14.635 -5.712 -2.637 130 HB2 ALA 86 HB2 ALA 86 13.436 -6.724 -3.445 131 HB3 ALA 86 HB3 ALA 86 15.122 -7.237 -3.379 132 H LEU 87 H LEU 87 11.734 -8.223 -2.159 133 HA LEU 87 HA LEU 87 10.188 -6.131 -1.061 134 HB2 LEU 87 HB2 LEU 87 9.523 -8.943 -1.917 135 HB3 LEU 87 HB3 LEU 87 8.296 -7.838 -1.305 136 HG LEU 87 HG LEU 87 10.152 -7.038 -3.559 137 HD11 LEU 87 HD11 LEU 87 8.180 -7.657 -5.062 138 HD12 LEU 87 HD12 LEU 87 7.555 -8.589 -3.699 139 HD13 LEU 87 HD13 LEU 87 9.111 -9.008 -4.418 140 HD21 LEU 87 HD21 LEU 87 7.488 -6.062 -2.484 141 HD22 LEU 87 HD22 LEU 87 8.030 -5.641 -4.104 142 HD23 LEU 87 HD23 LEU 87 8.975 -5.143 -2.707 143 H ALA 88 H ALA 88 11.237 -9.234 0.235 144 HA ALA 88 HA ALA 88 9.600 -9.306 2.513 145 HB1 ALA 88 HB1 ALA 88 11.263 -10.842 3.433 146 HB2 ALA 88 HB2 ALA 88 12.442 -10.316 2.231 147 HB3 ALA 88 HB3 ALA 88 11.000 -11.197 1.726 148 H LEU 89 H LEU 89 12.805 -7.841 2.005 149 HA LEU 89 HA LEU 89 13.130 -6.934 4.686 150 HB2 LEU 89 HB2 LEU 89 14.386 -6.249 2.049 151 HB3 LEU 89 HB3 LEU 89 14.707 -5.215 3.441 152 HG LEU 89 HG LEU 89 15.557 -7.105 4.711 153 HD11 LEU 89 HD11 LEU 89 14.623 -8.681 2.316 154 HD12 LEU 89 HD12 LEU 89 14.173 -8.908 4.002 155 HD13 LEU 89 HD13 LEU 89 15.797 -9.327 3.456 156 HD21 LEU 89 HD21 LEU 89 16.662 -7.019 1.884 157 HD22 LEU 89 HD22 LEU 89 17.502 -7.710 3.274 158 HD23 LEU 89 HD23 LEU 89 17.148 -5.983 3.226 159 H LYS 90 H LYS 90 11.697 -5.466 1.810 160 HA LYS 90 HA LYS 90 11.315 -2.881 2.877 161 HB2 LYS 90 HB2 LYS 90 9.838 -4.417 0.733 162 HB3 LYS 90 HB3 LYS 90 9.510 -2.725 1.114 163 HG2 LYS 90 HG2 LYS 90 11.865 -2.158 0.648 164 HG3 LYS 90 HG3 LYS 90 12.197 -3.848 0.266 165 HD2 LYS 90 HD2 LYS 90 10.591 -3.773 -1.584 166 HD3 LYS 90 HD3 LYS 90 10.187 -2.103 -1.187 167 HE2 LYS 90 HE2 LYS 90 11.792 -2.141 -3.034 168 HE3 LYS 90 HE3 LYS 90 12.555 -1.461 -1.597 169 HZ1 LYS 90 HZ1 LYS 90 14.049 -3.077 -1.610 170 HZ2 LYS 90 HZ2 LYS 90 13.410 -3.629 -3.085 171 HZ3 LYS 90 HZ3 LYS 90 12.845 -4.272 -1.617 172 H MET 91 H MET 91 9.301 -5.791 2.937 173 HA MET 91 HA MET 91 7.012 -4.614 4.109 174 HB2 MET 91 HB2 MET 91 8.057 -7.447 4.105 175 HB3 MET 91 HB3 MET 91 6.509 -6.994 4.816 176 HG2 MET 91 HG2 MET 91 5.734 -6.122 2.672 177 HG3 MET 91 HG3 MET 91 7.305 -6.449 1.941 178 HE1 MET 91 HE1 MET 91 4.301 -7.586 0.956 179 HE2 MET 91 HE2 MET 91 5.011 -9.029 0.236 180 HE3 MET 91 HE3 MET 91 5.864 -7.491 0.134 181 H SER 92 H SER 92 9.906 -6.098 5.495 182 HA SER 92 HA SER 92 9.069 -6.132 8.186 183 HB2 SER 92 HB2 SER 92 11.049 -7.349 7.415 184 HB3 SER 92 HB3 SER 92 11.857 -5.829 7.044 185 HG SER 92 HG SER 92 11.131 -6.919 9.544 186 H GLU 93 H GLU 93 10.719 -3.647 6.269 187 HA GLU 93 HA GLU 93 11.162 -1.824 8.389 188 HB2 GLU 93 HB2 GLU 93 10.886 -1.424 5.406 189 HB3 GLU 93 HB3 GLU 93 11.318 -0.128 6.522 190 HG2 GLU 93 HG2 GLU 93 13.287 -1.358 7.258 191 HG3 GLU 93 HG3 GLU 93 12.831 -2.742 6.266 192 H GLN 94 H GLN 94 8.454 -2.297 6.167 193 HA GLN 94 HA GLN 94 6.988 0.013 6.892 194 HB2 GLN 94 HB2 GLN 94 6.138 -2.644 5.731 195 HB3 GLN 94 HB3 GLN 94 5.025 -1.298 5.973 196 HG2 GLN 94 HG2 GLN 94 6.306 0.121 4.501 197 HG3 GLN 94 HG3 GLN 94 7.596 -1.077 4.387 198 HE21 GLN 94 HE21 GLN 94 5.853 0.051 2.190 199 HE22 GLN 94 HE22 GLN 94 5.124 -1.301 1.470 200 H GLU 95 H GLU 95 7.119 -3.252 8.211 201 HA GLU 95 HA GLU 95 4.925 -2.896 10.021 202 HB2 GLU 95 HB2 GLU 95 7.157 -4.927 9.883 203 HB3 GLU 95 HB3 GLU 95 5.873 -4.979 11.091 204 HG2 GLU 95 HG2 GLU 95 4.180 -5.179 9.379 205 HG3 GLU 95 HG3 GLU 95 5.369 -4.908 8.107 206 H ALA 96 H ALA 96 8.111 -1.764 9.989 207 HA ALA 96 HA ALA 96 9.281 -0.495 11.508 208 HB1 ALA 96 HB1 ALA 96 6.819 0.136 12.175 209 HB2 ALA 96 HB2 ALA 96 8.150 0.542 13.258 210 HB3 ALA 96 HB3 ALA 96 7.145 -0.869 13.587 211 H ARG 97 H ARG 97 9.335 -3.448 11.340 212 HA ARG 97 HA ARG 97 10.138 -5.279 12.494 213 HB2 ARG 97 HB2 ARG 97 12.072 -3.522 12.298 214 HB3 ARG 97 HB3 ARG 97 11.852 -3.346 14.038 215 HG2 ARG 97 HG2 ARG 97 13.433 -5.060 13.993 216 HG3 ARG 97 HG3 ARG 97 11.948 -6.007 14.000 217 HD2 ARG 97 HD2 ARG 97 13.464 -6.851 12.274 218 HD3 ARG 97 HD3 ARG 97 12.046 -6.132 11.516 219 HE ARG 97 HE ARG 97 14.028 -4.147 11.752 220 HH11 ARG 97 HH21 ARG 97 13.374 -7.122 10.122 221 HH12 ARG 97 HH22 ARG 97 14.324 -6.730 8.729 222 HH21 ARG 97 HH11 ARG 97 15.271 -3.616 9.928 223 HH22 ARG 97 HH12 ARG 97 15.399 -4.743 8.619 224 H GLU 98 H GLU 98 8.441 -6.006 13.743 225 HA GLU 98 HA GLU 98 7.140 -6.355 15.601 226 HB2 GLU 98 HB2 GLU 98 9.890 -5.918 16.746 227 HB3 GLU 98 HB3 GLU 98 8.522 -6.431 17.733 228 HG2 GLU 98 HG2 GLU 98 8.232 -8.426 16.387 229 HG3 GLU 98 HG3 GLU 98 9.456 -7.880 15.242 230 H VAL 99 H VAL 99 8.858 -4.572 17.882 231 HA VAL 99 HA VAL 99 6.696 -2.625 18.063 232 HB VAL 99 HB VAL 99 9.109 -2.633 19.844 233 HG11 VAL 99 HG11 VAL 99 7.205 -0.955 20.007 234 HG12 VAL 99 HG12 VAL 99 7.559 -1.845 21.486 235 HG13 VAL 99 HG13 VAL 99 6.175 -2.302 20.496 236 HG21 VAL 99 HG21 VAL 99 8.544 -4.992 19.714 237 HG22 VAL 99 HG22 VAL 99 6.823 -4.635 19.857 238 HG23 VAL 99 HG23 VAL 99 7.896 -4.376 21.233 239 H ASN 100 H ASN 100 6.870 -0.483 17.694 240 HA ASN 100 HA ASN 100 9.078 0.429 16.074 241 HB2 ASN 100 HB2 ASN 100 6.710 1.127 15.677 242 HB3 ASN 100 HB3 ASN 100 6.761 2.023 17.192 243 HD21 ASN 100 HD21 ASN 100 6.318 3.386 14.729 244 HD22 ASN 100 HD22 ASN 100 7.677 4.346 14.390 245 H SER 101 H SER 101 10.872 1.335 16.795 246 HA SER 101 HA SER 101 11.462 1.754 19.512 247 HB2 SER 101 HB2 SER 101 13.215 1.396 17.837 248 HB3 SER 101 HB3 SER 101 12.808 2.926 17.066 249 HG SER 101 HG SER 101 13.641 4.005 18.740 250 H GLN 102 H GLN 102 10.429 3.996 16.968 251 HA GLN 102 HA GLN 102 10.730 6.389 18.420 252 HB2 GLN 102 HB2 GLN 102 10.325 6.251 15.965 253 HB3 GLN 102 HB3 GLN 102 8.661 5.770 16.300 254 HG2 GLN 102 HG2 GLN 102 8.239 7.869 17.458 255 HG3 GLN 102 HG3 GLN 102 9.926 8.345 17.277 256 HE21 GLN 102 HE21 GLN 102 8.201 10.146 16.206 257 HE22 GLN 102 HE22 GLN 102 8.137 10.021 14.515 258 H GLU 103 H GLU 103 8.017 4.115 18.182 259 HA GLU 103 HA GLU 103 6.152 5.643 19.653 260 HB2 GLU 103 HB2 GLU 103 5.526 3.688 18.280 261 HB3 GLU 103 HB3 GLU 103 6.360 2.631 19.419 262 HG2 GLU 103 HG2 GLU 103 4.856 3.305 21.213 263 HG3 GLU 103 HG3 GLU 103 4.073 4.478 20.156 264 H GLU 104 H GLU 104 8.578 3.261 20.634 265 HA GLU 104 HA GLU 104 7.839 3.110 23.358 266 HB2 GLU 104 HB2 GLU 104 10.477 2.633 21.951 267 HB3 GLU 104 HB3 GLU 104 10.213 2.293 23.661 268 HG2 GLU 104 HG2 GLU 104 8.582 1.111 21.394 269 HG3 GLU 104 HG3 GLU 104 9.892 0.276 22.228 270 H GLU 105 H GLU 105 10.072 5.229 21.615 271 HA GLU 105 HA GLU 105 11.157 6.519 23.884 272 HB2 GLU 105 HB2 GLU 105 10.812 7.423 21.014 273 HB3 GLU 105 HB3 GLU 105 11.689 8.358 22.225 274 HG2 GLU 105 HG2 GLU 105 12.343 5.505 21.431 275 HG3 GLU 105 HG3 GLU 105 13.205 6.932 20.859 276 H GLU 106 H GLU 106 8.340 7.207 21.868 277 HA GLU 106 HA GLU 106 7.661 9.675 23.068 278 HB2 GLU 106 HB2 GLU 106 6.742 8.806 20.900 279 HB3 GLU 106 HB3 GLU 106 5.764 7.671 21.826 280 HG2 GLU 106 HG2 GLU 106 5.674 10.641 22.385 281 HG3 GLU 106 HG3 GLU 106 4.664 9.910 21.142 282 H GLU 107 H GLU 107 6.784 6.329 23.804 283 HA GLU 107 HA GLU 107 4.850 6.851 25.782 284 HB2 GLU 107 HB2 GLU 107 5.219 4.624 24.759 285 HB3 GLU 107 HB3 GLU 107 6.761 4.507 25.608 286 HG2 GLU 107 HG2 GLU 107 5.618 4.644 27.769 287 HG3 GLU 107 HG3 GLU 107 4.068 4.855 26.958 288 H GLU 108 H GLU 108 8.370 6.460 25.982 289 HA GLU 108 HA GLU 108 8.573 6.574 28.798 290 HB2 GLU 108 HB2 GLU 108 10.533 7.295 26.608 291 HB3 GLU 108 HB3 GLU 108 10.953 7.268 28.321 292 HG2 GLU 108 HG2 GLU 108 9.754 4.904 26.856 293 HG3 GLU 108 HG3 GLU 108 11.487 5.131 27.082 294 H LEU 109 H LEU 109 8.632 9.090 26.305 295 HA LEU 109 HA LEU 109 9.255 11.254 28.023 296 HB2 LEU 109 HB2 LEU 109 7.800 11.143 25.374 297 HB3 LEU 109 HB3 LEU 109 8.249 12.648 26.177 298 HG LEU 109 HG LEU 109 10.212 10.454 25.451 299 HD11 LEU 109 HD11 LEU 109 10.932 12.031 23.647 300 HD12 LEU 109 HD12 LEU 109 9.530 13.035 24.016 301 HD13 LEU 109 HD13 LEU 109 9.306 11.395 23.408 302 HD21 LEU 109 HD21 LEU 109 10.441 13.144 26.775 303 HD22 LEU 109 HD22 LEU 109 11.748 12.641 25.704 304 HD23 LEU 109 HD23 LEU 109 11.328 11.653 27.100 305 H LEU 110 H LEU 110 6.207 9.798 27.006 306 HA LEU 110 HA LEU 110 4.497 11.719 28.144 307 HB2 LEU 110 HB2 LEU 110 3.704 10.037 26.544 308 HB3 LEU 110 HB3 LEU 110 4.031 8.757 27.711 309 HG LEU 110 HG LEU 110 2.387 9.757 29.272 310 HD11 LEU 110 HD11 LEU 110 2.314 12.053 28.883 311 HD12 LEU 110 HD12 LEU 110 0.840 11.542 28.063 312 HD13 LEU 110 HD13 LEU 110 2.302 11.866 27.128 313 HD21 LEU 110 HD21 LEU 110 1.340 9.288 26.463 314 HD22 LEU 110 HD22 LEU 110 0.356 9.269 27.925 315 HD23 LEU 110 HD23 LEU 110 1.614 8.055 27.696 316 H ARG 111 H ARG 111 5.885 8.730 29.454 317 HA ARG 111 HA ARG 111 4.548 8.743 31.923 318 HB2 ARG 111 HB2 ARG 111 5.819 6.808 31.086 319 HB3 ARG 111 HB3 ARG 111 7.322 7.712 31.283 320 HG2 ARG 111 HG2 ARG 111 6.993 7.854 33.680 321 HG3 ARG 111 HG3 ARG 111 5.388 7.134 33.545 322 HD2 ARG 111 HD2 ARG 111 7.928 5.731 32.685 323 HD3 ARG 111 HD3 ARG 111 7.192 5.525 34.271 324 HE ARG 111 HE ARG 111 5.210 5.042 32.348 325 HH11 ARG 111 HH21 ARG 111 8.234 3.756 33.430 326 HH12 ARG 111 HH22 ARG 111 7.855 2.124 32.993 327 HH21 ARG 111 HH11 ARG 111 4.704 2.903 31.773 328 HH22 ARG 111 HH12 ARG 111 5.856 1.640 32.054 329 H LYS 112 H LYS 112 7.632 10.195 30.938 330 HA LYS 112 HA LYS 112 8.373 11.189 33.477 331 HB2 LYS 112 HB2 LYS 112 9.052 12.091 30.675 332 HB3 LYS 112 HB3 LYS 112 9.768 12.794 32.126 333 HG2 LYS 112 HG2 LYS 112 10.778 10.736 32.759 334 HG3 LYS 112 HG3 LYS 112 9.809 9.818 31.608 335 HD2 LYS 112 HD2 LYS 112 12.057 10.067 30.710 336 HD3 LYS 112 HD3 LYS 112 10.948 11.041 29.745 337 HE2 LYS 112 HE2 LYS 112 11.640 13.065 30.843 338 HE3 LYS 112 HE3 LYS 112 12.557 12.166 32.052 339 HZ1 LYS 112 HZ1 LYS 112 14.205 12.719 30.612 340 HZ2 LYS 112 HZ2 LYS 112 13.188 12.719 29.250 341 HZ3 LYS 112 HZ3 LYS 112 13.727 11.250 29.911 342 H ALA 113 H ALA 113 6.471 12.591 30.836 343 HA ALA 113 HA ALA 113 6.193 15.182 31.910 344 HB1 ALA 113 HB1 ALA 113 4.412 15.478 30.330 345 HB2 ALA 113 HB2 ALA 113 4.151 13.737 30.209 346 HB3 ALA 113 HB3 ALA 113 5.624 14.456 29.556 347 H ILE 114 H ILE 114 4.294 12.230 32.337 348 HA ILE 114 HA ILE 114 2.181 13.379 33.805 349 HB ILE 114 HB ILE 114 3.318 10.576 33.773 350 HG12 ILE 114 HG12 ILE 114 2.115 11.709 31.722 351 HG13 ILE 114 HG13 ILE 114 1.659 10.076 32.191 352 HG21 ILE 114 HG21 ILE 114 0.953 11.732 35.252 353 HG22 ILE 114 HG22 ILE 114 2.212 10.660 35.865 354 HG23 ILE 114 HG23 ILE 114 0.979 10.035 34.771 355 HD11 ILE 114 HD11 ILE 114 -0.240 11.811 31.754 356 HD12 ILE 114 HD12 ILE 114 0.186 12.448 33.338 357 HD13 ILE 114 HD13 ILE 114 -0.354 10.783 33.182 358 H ALA 115 H ALA 115 5.219 11.878 34.848 359 HA ALA 115 HA ALA 115 4.765 12.059 37.618 360 HB1 ALA 115 HB1 ALA 115 7.182 11.794 37.846 361 HB2 ALA 115 HB2 ALA 115 7.403 12.201 36.144 362 HB3 ALA 115 HB3 ALA 115 6.571 10.712 36.594 363 H GLU 116 H GLU 116 6.217 14.338 35.323 364 HA GLU 116 HA GLU 116 7.034 16.257 37.236 365 HB2 GLU 116 HB2 GLU 116 7.853 16.217 34.901 366 HB3 GLU 116 HB3 GLU 116 6.248 16.693 34.343 367 HG2 GLU 116 HG2 GLU 116 6.394 18.782 35.620 368 HG3 GLU 116 HG3 GLU 116 7.961 18.300 36.265 369 H SER 117 H SER 117 4.034 15.855 35.386 370 HA SER 117 HA SER 117 2.788 18.253 36.186 371 HB2 SER 117 HB2 SER 117 1.604 15.589 35.385 372 HB3 SER 117 HB3 SER 117 0.667 17.066 35.596 373 HG SER 117 HG SER 117 1.728 16.371 33.416 374 H LEU 118 H LEU 118 2.849 15.024 37.633 375 HA LEU 118 HA LEU 118 0.979 15.542 39.696 376 HB2 LEU 118 HB2 LEU 118 3.226 13.542 39.449 377 HB3 LEU 118 HB3 LEU 118 2.104 13.564 40.809 378 HG LEU 118 HG LEU 118 1.216 13.407 37.913 379 HD11 LEU 118 HD11 LEU 118 0.761 10.966 38.516 380 HD12 LEU 118 HD12 LEU 118 1.802 11.218 39.916 381 HD13 LEU 118 HD13 LEU 118 2.454 11.403 38.288 382 HD21 LEU 118 HD21 LEU 118 -0.170 13.268 40.589 383 HD22 LEU 118 HD22 LEU 118 -0.828 12.339 39.243 384 HD23 LEU 118 HD23 LEU 118 -0.679 14.086 39.110 385 H ASN 119 H ASN 119 4.470 15.965 39.462 386 HA ASN 119 HA ASN 119 4.714 16.764 42.241 387 HB2 ASN 119 HB2 ASN 119 6.635 16.720 39.912 388 HB3 ASN 119 HB3 ASN 119 7.074 17.316 41.512 389 HD21 ASN 119 HD21 ASN 119 8.250 14.951 40.249 390 HD22 ASN 119 HD22 ASN 119 7.841 13.620 41.220 391 H SER 120 H SER 120 3.943 18.265 39.258 392 HA SER 120 HA SER 120 4.806 20.927 40.083 393 HB2 SER 120 HB2 SER 120 4.979 20.301 37.718 394 HB3 SER 120 HB3 SER 120 3.243 20.005 37.659 395 HG SER 120 HG SER 120 2.882 22.165 38.027 396 H CYS 121 H CYS 121 3.505 22.510 40.868 397 HA CYS 121 HA CYS 121 0.804 21.726 41.708 398 HB2 CYS 121 HB2 CYS 121 2.526 24.111 42.408 399 HB3 CYS 121 HB3 CYS 121 0.915 23.807 43.060 400 HG CYS 121 HG CYS 121 1.812 21.951 44.487 401 H ARG 122 H ARG 122 -1.046 22.732 41.063 402 HA ARG 122 HA ARG 122 -1.014 24.005 38.530 403 HB2 ARG 122 HB2 ARG 122 -3.466 24.322 38.948 404 HB3 ARG 122 HB3 ARG 122 -2.920 22.660 39.161 405 HG2 ARG 122 HG2 ARG 122 -2.856 22.932 41.567 406 HG3 ARG 122 HG3 ARG 122 -3.212 24.653 41.424 407 HD2 ARG 122 HD2 ARG 122 -5.406 24.181 40.508 408 HD3 ARG 122 HD3 ARG 122 -5.055 22.455 40.452 409 HE ARG 122 HE ARG 122 -5.485 22.340 42.736 410 HH11 ARG 122 HH21 ARG 122 -5.112 25.618 41.688 411 HH12 ARG 122 HH22 ARG 122 -5.639 26.301 43.190 412 HH21 ARG 122 HH11 ARG 122 -6.176 23.228 44.704 413 HH22 ARG 122 HH12 ARG 122 -6.242 24.949 44.898 414 HA PRO 123 HA PRO 123 -0.523 28.239 39.782 415 HB2 PRO 123 HB2 PRO 123 -1.831 29.529 37.731 416 HB3 PRO 123 HB3 PRO 123 -0.232 28.780 37.552 417 HG2 PRO 123 HG2 PRO 123 -2.909 27.734 36.748 418 HG3 PRO 123 HG3 PRO 123 -1.358 27.635 35.896 419 HD2 PRO 123 HD2 PRO 123 -2.392 25.544 37.320 420 HD3 PRO 123 HD3 PRO 123 -0.647 25.801 37.119 421 H SER 124 H SER 124 -1.605 29.893 40.859 422 HA SER 124 HA SER 124 -4.171 29.248 41.942 423 HB2 SER 124 HB2 SER 124 -3.934 31.276 43.219 424 HB3 SER 124 HB3 SER 124 -2.361 30.485 43.165 425 HG SER 124 HG SER 124 -3.228 32.539 41.403 426 H ASP 125 H ASP 125 -6.058 30.666 41.855 427 HA ASP 125 HA ASP 125 -6.615 31.486 39.124 428 HB2 ASP 125 HB2 ASP 125 -8.280 30.233 40.466 429 HB3 ASP 125 HB3 ASP 125 -8.369 31.589 41.588 430 H ALA 126 H ALA 126 -6.180 33.463 38.411 431 HA ALA 126 HA ALA 126 -5.378 35.609 40.068 432 HB1 ALA 126 HB1 ALA 126 -4.850 35.256 37.596 433 HB2 ALA 126 HB2 ALA 126 -5.261 36.902 38.081 434 HB3 ALA 126 HB3 ALA 126 -6.460 35.896 37.266 435 H SER 127 H SER 127 -8.482 34.752 38.605 436 HA SER 127 HA SER 127 -9.754 37.199 39.517 437 HB2 SER 127 HB2 SER 127 -10.848 34.692 38.226 438 HB3 SER 127 HB3 SER 127 -11.820 36.106 38.627 439 HG SER 127 HG SER 127 -10.634 35.783 36.424 440 H ALA 128 H ALA 128 -9.142 34.045 40.746 441 HA ALA 128 HA ALA 128 -9.543 33.173 42.840 442 HB1 ALA 128 HB1 ALA 128 -10.141 34.572 44.589 443 HB2 ALA 128 HB2 ALA 128 -11.300 35.478 43.616 444 HB3 ALA 128 HB3 ALA 128 -9.572 35.757 43.412 445 H THR 129 H THR 129 -11.755 33.836 40.488 446 HA THR 129 HA THR 129 -14.190 33.043 41.743 447 HB THR 129 HB THR 129 -14.054 34.347 39.617 448 HG1 THR 129 HG1 THR 129 -15.376 31.957 39.026 449 HG21 THR 129 HG21 THR 129 -13.393 33.340 37.585 450 HG22 THR 129 HG22 THR 129 -13.458 31.716 38.271 451 HG23 THR 129 HG23 THR 129 -12.163 32.819 38.736 452 H ARG 130 H ARG 130 -15.239 31.068 41.727 453 HA ARG 130 HA ARG 130 -13.571 28.755 41.836 454 HB2 ARG 130 HB2 ARG 130 -15.630 27.542 42.314 455 HB3 ARG 130 HB3 ARG 130 -15.595 29.043 43.239 456 HG2 ARG 130 HG2 ARG 130 -16.973 30.118 41.437 457 HG3 ARG 130 HG3 ARG 130 -17.111 28.541 40.658 458 HD2 ARG 130 HD2 ARG 130 -19.078 28.909 42.034 459 HD3 ARG 130 HD3 ARG 130 -18.103 27.634 42.758 460 HE ARG 130 HE ARG 130 -17.435 30.209 43.824 461 HH11 ARG 130 HH21 ARG 130 -19.737 27.627 43.899 462 HH12 ARG 130 HH22 ARG 130 -20.245 27.942 45.525 463 HH21 ARG 130 HH11 ARG 130 -18.096 30.629 45.956 464 HH22 ARG 130 HH12 ARG 130 -19.316 29.643 46.690 465 H SER 131 H SER 131 -13.591 26.920 40.494 466 HA SER 131 HA SER 131 -15.114 26.837 38.062 467 HB2 SER 131 HB2 SER 131 -13.521 27.397 36.476 468 HB3 SER 131 HB3 SER 131 -13.079 28.515 37.764 469 HG SER 131 HG SER 131 -11.215 27.554 37.644 Start of MODEL 10 1 H1 GLY -4 H1 GLY -4 -2.807 -18.878 2.593 2 H2 GLY -4 H2 GLY -4 -2.507 -19.227 0.958 3 H3 GLY -4 H3 GLY -4 -1.333 -18.427 1.887 4 HA2 GLY -4 HA2 GLY -4 -2.256 -21.080 2.739 5 HA3 GLY -4 HA3 GLY -4 -1.101 -20.956 1.412 6 HA PRO -3 HA PRO -3 1.240 -18.715 4.964 7 HB2 PRO -3 HB2 PRO -3 -0.083 -18.426 7.370 8 HB3 PRO -3 HB3 PRO -3 -0.118 -17.213 6.078 9 HG2 PRO -3 HG2 PRO -3 -2.136 -19.314 6.745 10 HG3 PRO -3 HG3 PRO -3 -2.383 -17.611 6.309 11 HD2 PRO -3 HD2 PRO -3 -2.734 -19.594 4.497 12 HD3 PRO -3 HD3 PRO -3 -2.073 -18.011 4.025 13 H LEU -2 H LEU -2 -0.857 -21.418 5.605 14 HA LEU -2 HA LEU -2 0.656 -22.533 7.761 15 HB2 LEU -2 HB2 LEU -2 -1.707 -23.124 7.388 16 HB3 LEU -2 HB3 LEU -2 -1.276 -23.874 5.853 17 HG LEU -2 HG LEU -2 0.185 -25.478 7.049 18 HD11 LEU -2 HD11 LEU -2 0.945 -24.481 9.007 19 HD12 LEU -2 HD12 LEU -2 -0.329 -25.511 9.649 20 HD13 LEU -2 HD13 LEU -2 -0.630 -23.793 9.400 21 HD21 LEU -2 HD21 LEU -2 -2.694 -25.257 7.959 22 HD22 LEU -2 HD22 LEU -2 -1.691 -26.669 8.294 23 HD23 LEU -2 HD23 LEU -2 -2.054 -26.219 6.627 24 H GLY -1 H GLY -1 2.469 -23.671 7.710 25 HA2 GLY -1 HA2 GLY -1 4.216 -24.969 6.946 26 HA3 GLY -1 HA3 GLY -1 3.221 -25.390 5.556 27 H SER 0 H SER 0 5.053 -22.648 6.892 28 HA SER 0 HA SER 0 5.339 -21.283 4.422 29 HB2 SER 0 HB2 SER 0 5.622 -20.159 6.588 30 HB3 SER 0 HB3 SER 0 7.048 -21.140 6.915 31 HG SER 0 HG SER 0 7.844 -20.245 4.850 32 H ARG 74 H ARG 74 7.094 -23.879 5.945 33 HA ARG 74 HA ARG 74 9.498 -23.660 4.456 34 HB2 ARG 74 HB2 ARG 74 8.199 -26.046 5.795 35 HB3 ARG 74 HB3 ARG 74 9.828 -26.053 5.113 36 HG2 ARG 74 HG2 ARG 74 10.528 -24.290 6.632 37 HG3 ARG 74 HG3 ARG 74 8.883 -24.115 7.242 38 HD2 ARG 74 HD2 ARG 74 10.534 -26.646 7.461 39 HD3 ARG 74 HD3 ARG 74 10.339 -25.467 8.754 40 HE ARG 74 HE ARG 74 7.778 -26.236 7.889 41 HH11 ARG 74 HH21 ARG 74 10.597 -27.535 9.422 42 HH12 ARG 74 HH22 ARG 74 9.726 -28.727 10.326 43 HH21 ARG 74 HH11 ARG 74 6.629 -27.804 9.068 44 HH22 ARG 74 HH12 ARG 74 7.479 -28.880 10.126 45 H LYS 75 H LYS 75 6.352 -24.582 3.564 46 HA LYS 75 HA LYS 75 7.140 -26.357 1.420 47 HB2 LYS 75 HB2 LYS 75 4.994 -26.580 2.750 48 HB3 LYS 75 HB3 LYS 75 4.426 -25.142 1.903 49 HG2 LYS 75 HG2 LYS 75 4.506 -26.229 -0.217 50 HG3 LYS 75 HG3 LYS 75 5.458 -27.567 0.417 51 HD2 LYS 75 HD2 LYS 75 3.213 -28.371 0.182 52 HD3 LYS 75 HD3 LYS 75 3.486 -28.136 1.905 53 HE2 LYS 75 HE2 LYS 75 2.308 -26.007 1.853 54 HE3 LYS 75 HE3 LYS 75 2.148 -26.103 0.099 55 HZ1 LYS 75 HZ1 LYS 75 0.498 -27.227 2.089 56 HZ2 LYS 75 HZ2 LYS 75 1.157 -28.475 1.141 57 HZ3 LYS 75 HZ3 LYS 75 0.279 -27.220 0.407 58 H ILE 76 H ILE 76 7.220 -23.121 1.843 59 HA ILE 76 HA ILE 76 6.313 -22.276 -0.772 60 HB ILE 76 HB ILE 76 7.874 -20.791 1.354 61 HG12 ILE 76 HG12 ILE 76 4.950 -20.578 0.576 62 HG13 ILE 76 HG13 ILE 76 5.524 -21.557 1.925 63 HG21 ILE 76 HG21 ILE 76 7.005 -18.793 0.021 64 HG22 ILE 76 HG22 ILE 76 6.607 -19.937 -1.259 65 HG23 ILE 76 HG23 ILE 76 8.283 -19.730 -0.755 66 HD11 ILE 76 HD11 ILE 76 6.577 -19.525 2.911 67 HD12 ILE 76 HD12 ILE 76 4.828 -19.368 2.754 68 HD13 ILE 76 HD13 ILE 76 5.892 -18.565 1.600 69 H ALA 77 H ALA 77 7.518 -22.006 -2.574 70 HA ALA 77 HA ALA 77 10.038 -23.265 -2.799 71 HB1 ALA 77 HB1 ALA 77 10.072 -22.468 -5.060 72 HB2 ALA 77 HB2 ALA 77 8.917 -21.188 -4.688 73 HB3 ALA 77 HB3 ALA 77 8.398 -22.873 -4.680 74 H GLN 78 H GLN 78 12.086 -22.305 -3.321 75 HA GLN 78 HA GLN 78 12.938 -20.364 -1.519 76 HB2 GLN 78 HB2 GLN 78 14.120 -21.302 -4.140 77 HB3 GLN 78 HB3 GLN 78 14.956 -20.193 -3.052 78 HG2 GLN 78 HG2 GLN 78 13.916 -22.911 -2.212 79 HG3 GLN 78 HG3 GLN 78 15.578 -22.609 -2.717 80 HE21 GLN 78 HE21 GLN 78 16.542 -20.547 -1.449 81 HE22 GLN 78 HE22 GLN 78 16.258 -20.560 0.225 82 H MET 79 H MET 79 13.014 -18.206 -1.512 83 HA MET 79 HA MET 79 11.537 -16.753 -3.517 84 HB2 MET 79 HB2 MET 79 13.099 -15.777 -1.112 85 HB3 MET 79 HB3 MET 79 12.007 -14.799 -2.093 86 HG2 MET 79 HG2 MET 79 10.133 -16.294 -1.519 87 HG3 MET 79 HG3 MET 79 11.220 -17.287 -0.547 88 HE1 MET 79 HE1 MET 79 9.191 -15.668 2.245 89 HE2 MET 79 HE2 MET 79 9.687 -17.130 1.395 90 HE3 MET 79 HE3 MET 79 8.532 -16.032 0.643 91 H THR 80 H THR 80 12.307 -15.373 -5.040 92 HA THR 80 HA THR 80 15.057 -15.696 -5.861 93 HB THR 80 HB THR 80 14.426 -14.370 -7.796 94 HG1 THR 80 HG1 THR 80 13.081 -12.920 -6.547 95 HG21 THR 80 HG21 THR 80 12.428 -15.725 -8.544 96 HG22 THR 80 HG22 THR 80 12.348 -16.381 -6.909 97 HG23 THR 80 HG23 THR 80 13.768 -16.679 -7.911 98 H GLU 82 H GLU 82 16.274 -13.663 -6.564 99 HA GLU 82 HA GLU 82 16.942 -12.146 -4.316 100 HB2 GLU 82 HB2 GLU 82 18.409 -12.412 -6.287 101 HB3 GLU 82 HB3 GLU 82 17.304 -11.419 -7.236 102 HG2 GLU 82 HG2 GLU 82 17.698 -9.508 -5.758 103 HG3 GLU 82 HG3 GLU 82 18.735 -10.491 -4.728 104 H GLU 83 H GLU 83 14.813 -11.352 -7.057 105 HA GLU 83 HA GLU 83 14.213 -8.716 -6.217 106 HB2 GLU 83 HB2 GLU 83 13.792 -9.637 -8.506 107 HB3 GLU 83 HB3 GLU 83 12.455 -10.571 -7.843 108 HG2 GLU 83 HG2 GLU 83 12.622 -7.576 -7.458 109 HG3 GLU 83 HG3 GLU 83 11.911 -8.277 -8.906 110 H GLN 84 H GLN 84 12.606 -11.831 -5.641 111 HA GLN 84 HA GLN 84 10.382 -10.800 -4.229 112 HB2 GLN 84 HB2 GLN 84 11.717 -13.509 -4.189 113 HB3 GLN 84 HB3 GLN 84 10.229 -13.150 -3.313 114 HG2 GLN 84 HG2 GLN 84 9.119 -12.515 -5.400 115 HG3 GLN 84 HG3 GLN 84 10.612 -12.784 -6.297 116 HE21 GLN 84 HE21 GLN 84 8.135 -14.484 -4.345 117 HE22 GLN 84 HE22 GLN 84 8.425 -16.010 -5.029 118 H PHE 85 H PHE 85 13.581 -11.870 -3.198 119 HA PHE 85 HA PHE 85 13.139 -11.754 -0.414 120 HB2 PHE 85 HB2 PHE 85 15.097 -12.850 -1.519 121 HB3 PHE 85 HB3 PHE 85 15.738 -11.246 -1.880 122 HD1 PHE 85 HD1 PHE 85 14.369 -13.212 1.002 123 HD2 PHE 85 HD2 PHE 85 17.197 -10.262 -0.322 124 HE1 PHE 85 HE1 PHE 85 15.328 -13.110 3.284 125 HE2 PHE 85 HE2 PHE 85 18.158 -10.159 1.963 126 HZ PHE 85 HZ PHE 85 17.222 -11.584 3.768 127 H ALA 86 H ALA 86 14.295 -9.331 -2.737 128 HA ALA 86 HA ALA 86 14.863 -7.284 -0.887 129 HB1 ALA 86 HB1 ALA 86 14.564 -5.759 -2.854 130 HB2 ALA 86 HB2 ALA 86 14.004 -7.150 -3.782 131 HB3 ALA 86 HB3 ALA 86 15.653 -7.113 -3.161 132 H LEU 87 H LEU 87 11.885 -8.170 -2.581 133 HA LEU 87 HA LEU 87 10.338 -5.952 -1.791 134 HB2 LEU 87 HB2 LEU 87 9.622 -7.490 -3.570 135 HB3 LEU 87 HB3 LEU 87 9.446 -8.785 -2.389 136 HG LEU 87 HG LEU 87 7.710 -7.479 -1.206 137 HD11 LEU 87 HD11 LEU 87 8.468 -5.422 -3.266 138 HD12 LEU 87 HD12 LEU 87 8.144 -5.213 -1.544 139 HD13 LEU 87 HD13 LEU 87 6.811 -5.468 -2.664 140 HD21 LEU 87 HD21 LEU 87 6.974 -9.030 -2.924 141 HD22 LEU 87 HD22 LEU 87 7.277 -7.837 -4.186 142 HD23 LEU 87 HD23 LEU 87 5.979 -7.578 -3.020 143 H ALA 88 H ALA 88 10.878 -9.106 -0.267 144 HA ALA 88 HA ALA 88 9.037 -8.838 1.834 145 HB1 ALA 88 HB1 ALA 88 11.653 -10.341 1.649 146 HB2 ALA 88 HB2 ALA 88 10.027 -10.979 1.409 147 HB3 ALA 88 HB3 ALA 88 10.550 -10.480 3.019 148 H LEU 89 H LEU 89 12.397 -7.784 1.529 149 HA LEU 89 HA LEU 89 12.742 -6.920 4.200 150 HB2 LEU 89 HB2 LEU 89 14.058 -6.072 1.617 151 HB3 LEU 89 HB3 LEU 89 14.570 -5.484 3.196 152 HG LEU 89 HG LEU 89 14.393 -8.423 2.462 153 HD11 LEU 89 HD11 LEU 89 16.966 -8.179 2.485 154 HD12 LEU 89 HD12 LEU 89 16.674 -6.450 2.292 155 HD13 LEU 89 HD13 LEU 89 16.104 -7.584 1.069 156 HD21 LEU 89 HD21 LEU 89 14.390 -8.398 4.791 157 HD22 LEU 89 HD22 LEU 89 15.285 -6.882 4.890 158 HD23 LEU 89 HD23 LEU 89 16.123 -8.378 4.493 159 H LYS 90 H LYS 90 11.511 -5.293 1.310 160 HA LYS 90 HA LYS 90 11.360 -2.694 2.387 161 HB2 LYS 90 HB2 LYS 90 9.752 -4.083 0.237 162 HB3 LYS 90 HB3 LYS 90 9.577 -2.369 0.619 163 HG2 LYS 90 HG2 LYS 90 11.985 -2.026 0.168 164 HG3 LYS 90 HG3 LYS 90 12.149 -3.736 -0.232 165 HD2 LYS 90 HD2 LYS 90 10.581 -3.493 -2.087 166 HD3 LYS 90 HD3 LYS 90 10.301 -1.804 -1.661 167 HE2 LYS 90 HE2 LYS 90 11.902 -1.915 -3.501 168 HE3 LYS 90 HE3 LYS 90 12.721 -1.343 -2.047 169 HZ1 LYS 90 HZ1 LYS 90 13.567 -3.542 -1.658 170 HZ2 LYS 90 HZ2 LYS 90 13.976 -3.065 -3.237 171 HZ3 LYS 90 HZ3 LYS 90 12.704 -4.162 -2.981 172 H MET 91 H MET 91 9.085 -5.408 2.441 173 HA MET 91 HA MET 91 6.959 -3.976 3.671 174 HB2 MET 91 HB2 MET 91 6.638 -6.110 2.466 175 HB3 MET 91 HB3 MET 91 7.530 -6.945 3.737 176 HG2 MET 91 HG2 MET 91 5.868 -6.258 5.398 177 HG3 MET 91 HG3 MET 91 5.004 -5.328 4.176 178 HE1 MET 91 HE1 MET 91 6.354 -8.521 5.386 179 HE2 MET 91 HE2 MET 91 6.596 -9.141 3.756 180 HE3 MET 91 HE3 MET 91 5.321 -9.816 4.765 181 H SER 92 H SER 92 9.632 -5.922 4.932 182 HA SER 92 HA SER 92 8.832 -5.995 7.633 183 HB2 SER 92 HB2 SER 92 11.051 -6.713 8.107 184 HB3 SER 92 HB3 SER 92 10.670 -7.349 6.512 185 HG SER 92 HG SER 92 12.119 -4.976 7.102 186 H GLU 93 H GLU 93 10.388 -3.512 5.730 187 HA GLU 93 HA GLU 93 11.451 -1.946 7.830 188 HB2 GLU 93 HB2 GLU 93 10.500 -1.230 5.056 189 HB3 GLU 93 HB3 GLU 93 11.220 -0.053 6.149 190 HG2 GLU 93 HG2 GLU 93 13.279 -1.269 6.249 191 HG3 GLU 93 HG3 GLU 93 12.574 -2.658 5.436 192 H GLN 94 H GLN 94 8.235 -2.135 6.400 193 HA GLN 94 HA GLN 94 7.144 0.172 7.617 194 HB2 GLN 94 HB2 GLN 94 5.866 -2.402 6.673 195 HB3 GLN 94 HB3 GLN 94 4.942 -1.019 7.265 196 HG2 GLN 94 HG2 GLN 94 5.837 0.403 5.521 197 HG3 GLN 94 HG3 GLN 94 6.942 -0.866 4.995 198 HE21 GLN 94 HE21 GLN 94 4.767 0.444 3.407 199 HE22 GLN 94 HE22 GLN 94 3.736 -0.813 2.922 200 H GLU 95 H GLU 95 7.501 -3.168 8.708 201 HA GLU 95 HA GLU 95 6.054 -2.681 11.182 202 HB2 GLU 95 HB2 GLU 95 7.694 -5.068 10.291 203 HB3 GLU 95 HB3 GLU 95 6.634 -5.010 11.699 204 HG2 GLU 95 HG2 GLU 95 5.734 -4.563 8.838 205 HG3 GLU 95 HG3 GLU 95 5.533 -6.069 9.732 206 H ALA 96 H ALA 96 9.160 -2.119 10.023 207 HA ALA 96 HA ALA 96 11.064 -1.331 11.034 208 HB1 ALA 96 HB1 ALA 96 9.711 -1.439 13.718 209 HB2 ALA 96 HB2 ALA 96 9.236 -0.227 12.532 210 HB3 ALA 96 HB3 ALA 96 10.898 -0.282 13.115 211 H ARG 97 H ARG 97 10.084 -4.251 11.034 212 HA ARG 97 HA ARG 97 10.870 -6.303 11.709 213 HB2 ARG 97 HB2 ARG 97 13.378 -4.779 12.446 214 HB3 ARG 97 HB3 ARG 97 13.247 -6.486 12.015 215 HG2 ARG 97 HG2 ARG 97 12.296 -5.682 9.772 216 HG3 ARG 97 HG3 ARG 97 12.874 -4.080 10.227 217 HD2 ARG 97 HD2 ARG 97 14.605 -5.110 8.917 218 HD3 ARG 97 HD3 ARG 97 15.154 -5.104 10.592 219 HE ARG 97 HE ARG 97 13.782 -7.530 10.004 220 HH11 ARG 97 HH21 ARG 97 16.723 -5.800 9.445 221 HH12 ARG 97 HH22 ARG 97 17.688 -7.226 9.256 222 HH21 ARG 97 HH11 ARG 97 15.036 -9.404 9.761 223 HH22 ARG 97 HH12 ARG 97 16.732 -9.269 9.436 224 H GLU 98 H GLU 98 9.860 -4.128 13.745 225 HA GLU 98 HA GLU 98 10.291 -5.837 16.087 226 HB2 GLU 98 HB2 GLU 98 10.990 -2.885 16.091 227 HB3 GLU 98 HB3 GLU 98 10.922 -3.918 17.518 228 HG2 GLU 98 HG2 GLU 98 12.653 -5.397 16.450 229 HG3 GLU 98 HG3 GLU 98 12.795 -4.213 15.154 230 H VAL 99 H VAL 99 9.359 -2.938 17.241 231 HA VAL 99 HA VAL 99 6.638 -3.747 17.588 232 HB VAL 99 HB VAL 99 7.634 -0.952 18.093 233 HG11 VAL 99 HG11 VAL 99 5.240 -1.665 18.508 234 HG12 VAL 99 HG12 VAL 99 6.075 -1.034 19.927 235 HG13 VAL 99 HG13 VAL 99 5.850 -2.771 19.738 236 HG21 VAL 99 HG21 VAL 99 8.451 -1.831 20.323 237 HG22 VAL 99 HG22 VAL 99 9.419 -2.363 18.950 238 HG23 VAL 99 HG23 VAL 99 8.258 -3.465 19.691 239 H ASN 100 H ASN 100 4.769 -2.710 16.831 240 HA ASN 100 HA ASN 100 4.977 -1.752 14.122 241 HB2 ASN 100 HB2 ASN 100 2.545 -1.869 15.914 242 HB3 ASN 100 HB3 ASN 100 2.556 -1.707 14.161 243 HD21 ASN 100 HD21 ASN 100 4.714 -3.647 13.693 244 HD22 ASN 100 HD22 ASN 100 4.076 -5.179 14.048 245 H SER 101 H SER 101 5.100 0.269 13.470 246 HA SER 101 HA SER 101 5.468 2.459 15.180 247 HB2 SER 101 HB2 SER 101 4.706 2.366 12.254 248 HB3 SER 101 HB3 SER 101 5.131 3.846 13.108 249 HG SER 101 HG SER 101 6.742 1.521 12.803 250 H GLN 102 H GLN 102 2.585 1.078 13.752 251 HA GLN 102 HA GLN 102 0.824 3.257 14.121 252 HB2 GLN 102 HB2 GLN 102 0.355 0.271 14.056 253 HB3 GLN 102 HB3 GLN 102 -0.952 1.454 14.139 254 HG2 GLN 102 HG2 GLN 102 -0.278 2.446 12.041 255 HG3 GLN 102 HG3 GLN 102 1.183 1.460 11.992 256 HE21 GLN 102 HE21 GLN 102 -1.100 1.529 10.030 257 HE22 GLN 102 HE22 GLN 102 -1.670 -0.068 9.955 258 H GLU 103 H GLU 103 1.784 0.589 16.245 259 HA GLU 103 HA GLU 103 -0.004 1.165 18.364 260 HB2 GLU 103 HB2 GLU 103 2.667 -0.250 18.308 261 HB3 GLU 103 HB3 GLU 103 1.658 -0.141 19.750 262 HG2 GLU 103 HG2 GLU 103 0.644 -1.230 17.115 263 HG3 GLU 103 HG3 GLU 103 1.346 -2.252 18.368 264 H GLU 104 H GLU 104 3.267 2.267 17.605 265 HA GLU 104 HA GLU 104 3.754 3.647 20.029 266 HB2 GLU 104 HB2 GLU 104 4.814 4.059 17.228 267 HB3 GLU 104 HB3 GLU 104 5.397 4.961 18.626 268 HG2 GLU 104 HG2 GLU 104 6.099 2.918 19.726 269 HG3 GLU 104 HG3 GLU 104 5.367 1.937 18.457 270 H GLU 105 H GLU 105 2.264 4.673 16.979 271 HA GLU 105 HA GLU 105 2.001 7.412 17.614 272 HB2 GLU 105 HB2 GLU 105 1.722 6.507 15.332 273 HB3 GLU 105 HB3 GLU 105 0.239 5.703 15.841 274 HG2 GLU 105 HG2 GLU 105 -0.787 7.861 16.377 275 HG3 GLU 105 HG3 GLU 105 0.710 8.695 15.963 276 H GLU 106 H GLU 106 -0.133 4.634 18.156 277 HA GLU 106 HA GLU 106 -2.345 6.057 19.156 278 HB2 GLU 106 HB2 GLU 106 -1.358 3.253 19.702 279 HB3 GLU 106 HB3 GLU 106 -2.895 3.876 20.304 280 HG2 GLU 106 HG2 GLU 106 -3.641 4.331 18.019 281 HG3 GLU 106 HG3 GLU 106 -2.083 3.806 17.383 282 H GLU 107 H GLU 107 0.545 4.781 20.756 283 HA GLU 107 HA GLU 107 -0.235 5.300 23.413 284 HB2 GLU 107 HB2 GLU 107 2.487 5.161 22.113 285 HB3 GLU 107 HB3 GLU 107 2.255 5.353 23.852 286 HG2 GLU 107 HG2 GLU 107 0.990 3.265 23.949 287 HG3 GLU 107 HG3 GLU 107 1.105 3.087 22.200 288 H GLU 108 H GLU 108 1.317 7.331 20.974 289 HA GLU 108 HA GLU 108 1.981 9.493 22.659 290 HB2 GLU 108 HB2 GLU 108 1.306 9.394 19.712 291 HB3 GLU 108 HB3 GLU 108 1.917 10.834 20.529 292 HG2 GLU 108 HG2 GLU 108 3.928 9.602 21.222 293 HG3 GLU 108 HG3 GLU 108 3.317 8.149 20.435 294 H LEU 109 H LEU 109 -0.972 8.731 20.837 295 HA LEU 109 HA LEU 109 -2.322 11.165 21.385 296 HB2 LEU 109 HB2 LEU 109 -3.083 8.436 20.456 297 HB3 LEU 109 HB3 LEU 109 -4.385 9.444 21.072 298 HG LEU 109 HG LEU 109 -3.989 9.626 18.575 299 HD11 LEU 109 HD11 LEU 109 -4.872 11.521 20.245 300 HD12 LEU 109 HD12 LEU 109 -4.620 11.840 18.536 301 HD13 LEU 109 HD13 LEU 109 -3.408 12.339 19.708 302 HD21 LEU 109 HD21 LEU 109 -1.396 9.570 19.044 303 HD22 LEU 109 HD22 LEU 109 -1.577 11.311 19.206 304 HD23 LEU 109 HD23 LEU 109 -2.022 10.515 17.702 305 H LEU 110 H LEU 110 -2.371 8.030 23.085 306 HA LEU 110 HA LEU 110 -4.227 8.859 25.068 307 HB2 LEU 110 HB2 LEU 110 -2.300 6.601 24.720 308 HB3 LEU 110 HB3 LEU 110 -2.905 6.901 26.347 309 HG LEU 110 HG LEU 110 -5.216 6.725 25.554 310 HD11 LEU 110 HD11 LEU 110 -3.874 6.452 22.866 311 HD12 LEU 110 HD12 LEU 110 -5.141 7.578 23.338 312 HD13 LEU 110 HD13 LEU 110 -5.510 5.866 23.143 313 HD21 LEU 110 HD21 LEU 110 -4.142 4.655 26.244 314 HD22 LEU 110 HD22 LEU 110 -3.407 4.463 24.653 315 HD23 LEU 110 HD23 LEU 110 -5.154 4.316 24.839 316 H ARG 111 H ARG 111 -0.687 8.905 24.901 317 HA ARG 111 HA ARG 111 -0.213 9.769 27.540 318 HB2 ARG 111 HB2 ARG 111 1.539 8.910 25.999 319 HB3 ARG 111 HB3 ARG 111 1.409 10.399 25.062 320 HG2 ARG 111 HG2 ARG 111 2.039 11.719 27.036 321 HG3 ARG 111 HG3 ARG 111 2.128 10.247 28.004 322 HD2 ARG 111 HD2 ARG 111 3.908 9.387 26.525 323 HD3 ARG 111 HD3 ARG 111 3.826 10.865 25.571 324 HE ARG 111 HE ARG 111 4.265 11.574 28.258 325 HH11 ARG 111 HH21 ARG 111 5.800 9.935 25.627 326 HH12 ARG 111 HH22 ARG 111 7.407 10.333 26.135 327 HH21 ARG 111 HH11 ARG 111 6.369 12.102 28.932 328 HH22 ARG 111 HH12 ARG 111 7.729 11.562 28.006 329 H LYS 112 H LYS 112 -0.748 11.565 24.529 330 HA LYS 112 HA LYS 112 -0.376 14.152 25.587 331 HB2 LYS 112 HB2 LYS 112 -0.402 13.692 23.175 332 HB3 LYS 112 HB3 LYS 112 -2.111 13.269 23.270 333 HG2 LYS 112 HG2 LYS 112 -2.662 15.539 24.015 334 HG3 LYS 112 HG3 LYS 112 -0.951 15.973 24.012 335 HD2 LYS 112 HD2 LYS 112 -0.840 15.562 21.592 336 HD3 LYS 112 HD3 LYS 112 -2.540 15.087 21.584 337 HE2 LYS 112 HE2 LYS 112 -3.178 17.328 22.373 338 HE3 LYS 112 HE3 LYS 112 -1.481 17.808 22.407 339 HZ1 LYS 112 HZ1 LYS 112 -2.735 18.466 20.368 340 HZ2 LYS 112 HZ2 LYS 112 -2.844 16.818 19.967 341 HZ3 LYS 112 HZ3 LYS 112 -1.325 17.571 20.075 342 H ALA 113 H ALA 113 -3.264 12.115 25.289 343 HA ALA 113 HA ALA 113 -5.149 14.019 26.148 344 HB1 ALA 113 HB1 ALA 113 -6.626 12.173 26.499 345 HB2 ALA 113 HB2 ALA 113 -5.280 11.051 26.704 346 HB3 ALA 113 HB3 ALA 113 -5.614 11.747 25.118 347 H ILE 114 H ILE 114 -3.138 11.728 27.957 348 HA ILE 114 HA ILE 114 -4.259 12.216 30.507 349 HB ILE 114 HB ILE 114 -1.507 11.276 29.675 350 HG12 ILE 114 HG12 ILE 114 -3.832 9.749 30.875 351 HG13 ILE 114 HG13 ILE 114 -3.563 9.879 29.136 352 HG21 ILE 114 HG21 ILE 114 -1.470 10.412 32.089 353 HG22 ILE 114 HG22 ILE 114 -2.799 11.529 32.399 354 HG23 ILE 114 HG23 ILE 114 -1.231 12.147 31.881 355 HD11 ILE 114 HD11 ILE 114 -2.583 7.798 30.133 356 HD12 ILE 114 HD12 ILE 114 -1.512 8.816 31.097 357 HD13 ILE 114 HD13 ILE 114 -1.386 8.821 29.338 358 H ALA 115 H ALA 115 -1.468 13.655 28.837 359 HA ALA 115 HA ALA 115 -0.670 15.376 30.921 360 HB1 ALA 115 HB1 ALA 115 0.509 16.640 29.162 361 HB2 ALA 115 HB2 ALA 115 -0.373 15.736 27.928 362 HB3 ALA 115 HB3 ALA 115 0.764 14.904 28.991 363 H GLU 116 H GLU 116 -2.991 15.772 28.287 364 HA GLU 116 HA GLU 116 -3.521 18.520 28.666 365 HB2 GLU 116 HB2 GLU 116 -4.207 17.199 26.665 366 HB3 GLU 116 HB3 GLU 116 -5.407 16.372 27.657 367 HG2 GLU 116 HG2 GLU 116 -6.493 18.194 26.469 368 HG3 GLU 116 HG3 GLU 116 -6.435 18.597 28.181 369 H SER 117 H SER 117 -4.979 15.596 30.054 370 HA SER 117 HA SER 117 -7.061 16.865 31.463 371 HB2 SER 117 HB2 SER 117 -5.565 14.300 32.050 372 HB3 SER 117 HB3 SER 117 -7.035 14.806 32.880 373 HG SER 117 HG SER 117 -7.018 14.825 30.088 374 H LEU 118 H LEU 118 -3.709 16.145 32.352 375 HA LEU 118 HA LEU 118 -3.940 17.042 35.052 376 HB2 LEU 118 HB2 LEU 118 -1.526 16.722 33.258 377 HB3 LEU 118 HB3 LEU 118 -1.451 17.029 34.991 378 HG LEU 118 HG LEU 118 -2.837 14.647 33.723 379 HD11 LEU 118 HD11 LEU 118 -0.239 14.656 35.277 380 HD12 LEU 118 HD12 LEU 118 -0.297 14.753 33.517 381 HD13 LEU 118 HD13 LEU 118 -0.941 13.335 34.342 382 HD21 LEU 118 HD21 LEU 118 -3.882 14.870 35.798 383 HD22 LEU 118 HD22 LEU 118 -2.472 15.615 36.551 384 HD23 LEU 118 HD23 LEU 118 -2.497 13.880 36.250 385 H ASN 119 H ASN 119 -3.068 18.588 32.012 386 HA ASN 119 HA ASN 119 -2.211 21.051 33.212 387 HB2 ASN 119 HB2 ASN 119 -2.938 20.265 30.389 388 HB3 ASN 119 HB3 ASN 119 -2.415 21.891 30.826 389 HD21 ASN 119 HD21 ASN 119 -1.010 19.773 29.151 390 HD22 ASN 119 HD22 ASN 119 0.505 19.582 29.890 391 H SER 120 H SER 120 -5.249 19.651 32.540 392 HA SER 120 HA SER 120 -6.780 21.976 31.998 393 HB2 SER 120 HB2 SER 120 -7.620 19.367 33.279 394 HB3 SER 120 HB3 SER 120 -8.715 20.595 32.657 395 HG SER 120 HG SER 120 -7.375 18.663 31.339 396 H CYS 121 H CYS 121 -8.190 23.138 33.399 397 HA CYS 121 HA CYS 121 -7.003 23.749 35.944 398 HB2 CYS 121 HB2 CYS 121 -8.689 25.455 36.116 399 HB3 CYS 121 HB3 CYS 121 -8.124 25.429 34.445 400 HG CYS 121 HG CYS 121 -10.539 25.163 33.915 401 H ARG 122 H ARG 122 -8.301 23.814 37.966 402 HA ARG 122 HA ARG 122 -9.321 21.243 38.543 403 HB2 ARG 122 HB2 ARG 122 -9.346 23.822 40.104 404 HB3 ARG 122 HB3 ARG 122 -9.961 22.302 40.753 405 HG2 ARG 122 HG2 ARG 122 -7.768 21.241 40.362 406 HG3 ARG 122 HG3 ARG 122 -7.146 22.762 39.720 407 HD2 ARG 122 HD2 ARG 122 -7.595 23.858 41.886 408 HD3 ARG 122 HD3 ARG 122 -8.213 22.338 42.526 409 HE ARG 122 HE ARG 122 -5.609 21.910 41.530 410 HH11 ARG 122 HH21 ARG 122 -7.309 23.567 44.046 411 HH12 ARG 122 HH22 ARG 122 -5.995 23.494 45.172 412 HH21 ARG 122 HH11 ARG 122 -3.881 21.810 42.999 413 HH22 ARG 122 HH12 ARG 122 -4.053 22.498 44.579 414 HA PRO 123 HA PRO 123 -13.585 21.783 37.442 415 HB2 PRO 123 HB2 PRO 123 -14.781 19.951 39.076 416 HB3 PRO 123 HB3 PRO 123 -13.785 19.486 37.682 417 HG2 PRO 123 HG2 PRO 123 -13.033 19.616 40.576 418 HG3 PRO 123 HG3 PRO 123 -12.682 18.354 39.378 419 HD2 PRO 123 HD2 PRO 123 -10.836 20.234 40.065 420 HD3 PRO 123 HD3 PRO 123 -10.927 19.553 38.422 421 H SER 124 H SER 124 -15.525 22.751 38.146 422 HA SER 124 HA SER 124 -15.312 24.643 40.237 423 HB2 SER 124 HB2 SER 124 -16.784 25.033 38.338 424 HB3 SER 124 HB3 SER 124 -17.747 23.619 38.755 425 HG SER 124 HG SER 124 -17.413 26.021 40.228 426 H ASP 125 H ASP 125 -16.239 24.713 42.274 427 HA ASP 125 HA ASP 125 -16.318 22.335 43.758 428 HB2 ASP 125 HB2 ASP 125 -15.977 24.677 44.652 429 HB3 ASP 125 HB3 ASP 125 -17.718 24.910 44.497 430 H ALA 126 H ALA 126 -18.026 21.143 44.635 431 HA ALA 126 HA ALA 126 -20.221 20.654 42.951 432 HB1 ALA 126 HB1 ALA 126 -19.319 19.018 44.585 433 HB2 ALA 126 HB2 ALA 126 -21.061 19.234 44.748 434 HB3 ALA 126 HB3 ALA 126 -19.966 20.002 45.897 435 H SER 127 H SER 127 -19.866 22.699 45.802 436 HA SER 127 HA SER 127 -22.679 23.328 45.963 437 HB2 SER 127 HB2 SER 127 -20.257 24.597 47.259 438 HB3 SER 127 HB3 SER 127 -21.927 25.025 47.622 439 HG SER 127 HG SER 127 -22.223 22.758 48.133 440 H ALA 128 H ALA 128 -20.061 24.381 44.063 441 HA ALA 128 HA ALA 128 -20.014 25.893 42.320 442 HB1 ALA 128 HB1 ALA 128 -22.624 27.138 43.120 443 HB2 ALA 128 HB2 ALA 128 -22.638 25.499 42.475 444 HB3 ALA 128 HB3 ALA 128 -21.977 26.818 41.510 445 H THR 129 H THR 129 -20.239 26.547 45.583 446 HA THR 129 HA THR 129 -19.926 29.430 45.432 447 HB THR 129 HB THR 129 -19.676 29.306 47.860 448 HG1 THR 129 HG1 THR 129 -20.160 26.701 48.198 449 HG21 THR 129 HG21 THR 129 -21.835 27.350 47.066 450 HG22 THR 129 HG22 THR 129 -21.944 29.067 46.679 451 HG23 THR 129 HG23 THR 129 -21.869 28.545 48.362 452 H ARG 130 H ARG 130 -18.043 30.557 46.166 453 HA ARG 130 HA ARG 130 -15.605 29.393 45.176 454 HB2 ARG 130 HB2 ARG 130 -16.212 32.039 46.509 455 HB3 ARG 130 HB3 ARG 130 -14.612 31.585 45.923 456 HG2 ARG 130 HG2 ARG 130 -15.677 31.160 43.657 457 HG3 ARG 130 HG3 ARG 130 -17.142 31.909 44.293 458 HD2 ARG 130 HD2 ARG 130 -14.417 33.232 44.233 459 HD3 ARG 130 HD3 ARG 130 -15.692 33.523 43.055 460 HE ARG 130 HE ARG 130 -15.623 34.460 45.822 461 HH11 ARG 130 HH21 ARG 130 -17.443 33.931 42.920 462 HH12 ARG 130 HH22 ARG 130 -18.673 35.081 43.322 463 HH21 ARG 130 HH11 ARG 130 -17.236 35.966 46.349 464 HH22 ARG 130 HH12 ARG 130 -18.556 36.232 45.262 465 H SER 131 H SER 131 -13.832 28.714 46.307 466 HA SER 131 HA SER 131 -14.275 27.882 49.038 467 HB2 SER 131 HB2 SER 131 -11.873 27.635 47.216 468 HB3 SER 131 HB3 SER 131 -11.981 26.924 48.825 469 HG SER 131 HG SER 131 -12.761 25.334 47.621 Start of MODEL 11 1 H1 GLY -4 H1 GLY -4 -3.606 -30.897 0.918 2 H2 GLY -4 H2 GLY -4 -2.029 -30.264 0.962 3 H3 GLY -4 H3 GLY -4 -3.302 -29.439 1.728 4 HA2 GLY -4 HA2 GLY -4 -2.787 -30.475 3.599 5 HA3 GLY -4 HA3 GLY -4 -3.332 -31.962 2.825 6 HA PRO -3 HA PRO -3 0.710 -33.658 2.257 7 HB2 PRO -3 HB2 PRO -3 0.991 -32.777 -0.591 8 HB3 PRO -3 HB3 PRO -3 1.091 -34.409 0.098 9 HG2 PRO -3 HG2 PRO -3 -1.039 -33.643 -1.288 10 HG3 PRO -3 HG3 PRO -3 -1.211 -34.667 0.153 11 HD2 PRO -3 HD2 PRO -3 -1.742 -31.719 -0.134 12 HD3 PRO -3 HD3 PRO -3 -2.637 -32.940 0.803 13 H LEU -2 H LEU -2 2.792 -33.046 2.709 14 HA LEU -2 HA LEU -2 3.542 -30.226 2.166 15 HB2 LEU -2 HB2 LEU -2 4.536 -32.007 4.399 16 HB3 LEU -2 HB3 LEU -2 4.870 -30.293 4.176 17 HG LEU -2 HG LEU -2 2.161 -30.189 4.176 18 HD11 LEU -2 HD11 LEU -2 1.146 -31.756 5.628 19 HD12 LEU -2 HD12 LEU -2 2.699 -32.360 6.208 20 HD13 LEU -2 HD13 LEU -2 2.159 -32.740 4.577 21 HD21 LEU -2 HD21 LEU -2 2.321 -29.674 6.633 22 HD22 LEU -2 HD22 LEU -2 3.536 -28.853 5.654 23 HD23 LEU -2 HD23 LEU -2 3.980 -30.273 6.602 24 H GLY -1 H GLY -1 5.395 -29.816 1.144 25 HA2 GLY -1 HA2 GLY -1 7.578 -31.669 1.000 26 HA3 GLY -1 HA3 GLY -1 6.660 -31.607 -0.502 27 H SER 0 H SER 0 8.579 -29.719 1.762 28 HA SER 0 HA SER 0 8.574 -27.283 0.298 29 HB2 SER 0 HB2 SER 0 10.528 -28.393 2.320 30 HB3 SER 0 HB3 SER 0 10.597 -26.756 1.674 31 HG SER 0 HG SER 0 8.713 -26.280 2.653 32 H ARG 74 H ARG 74 10.101 -30.281 -0.239 33 HA ARG 74 HA ARG 74 12.496 -29.472 -1.489 34 HB2 ARG 74 HB2 ARG 74 11.903 -31.821 -0.799 35 HB3 ARG 74 HB3 ARG 74 10.832 -31.897 -2.198 36 HG2 ARG 74 HG2 ARG 74 12.755 -31.381 -3.679 37 HG3 ARG 74 HG3 ARG 74 13.818 -31.367 -2.272 38 HD2 ARG 74 HD2 ARG 74 14.006 -33.548 -3.257 39 HD3 ARG 74 HD3 ARG 74 13.048 -33.730 -1.792 40 HE ARG 74 HE ARG 74 11.342 -33.278 -4.019 41 HH11 ARG 74 HH21 ARG 74 13.418 -35.628 -2.556 42 HH12 ARG 74 HH22 ARG 74 12.561 -36.989 -3.200 43 HH21 ARG 74 HH11 ARG 74 10.215 -35.058 -4.871 44 HH22 ARG 74 HH12 ARG 74 10.748 -36.666 -4.510 45 H LYS 75 H LYS 75 9.174 -29.597 -2.607 46 HA LYS 75 HA LYS 75 9.913 -29.225 -5.386 47 HB2 LYS 75 HB2 LYS 75 7.819 -30.460 -4.422 48 HB3 LYS 75 HB3 LYS 75 7.133 -28.846 -4.304 49 HG2 LYS 75 HG2 LYS 75 6.444 -29.456 -6.445 50 HG3 LYS 75 HG3 LYS 75 7.957 -28.633 -6.813 51 HD2 LYS 75 HD2 LYS 75 9.134 -30.798 -6.871 52 HD3 LYS 75 HD3 LYS 75 7.638 -31.628 -6.455 53 HE2 LYS 75 HE2 LYS 75 6.595 -30.747 -8.527 54 HE3 LYS 75 HE3 LYS 75 8.127 -29.980 -8.952 55 HZ1 LYS 75 HZ1 LYS 75 7.345 -32.746 -9.130 56 HZ2 LYS 75 HZ2 LYS 75 8.867 -32.514 -8.412 57 HZ3 LYS 75 HZ3 LYS 75 8.557 -31.905 -9.968 58 H ILE 76 H ILE 76 9.651 -27.267 -2.729 59 HA ILE 76 HA ILE 76 8.705 -24.894 -4.148 60 HB ILE 76 HB ILE 76 9.492 -25.462 -1.293 61 HG12 ILE 76 HG12 ILE 76 7.209 -24.783 -0.844 62 HG13 ILE 76 HG13 ILE 76 6.999 -24.227 -2.505 63 HG21 ILE 76 HG21 ILE 76 8.870 -22.974 -0.941 64 HG22 ILE 76 HG22 ILE 76 9.190 -22.786 -2.666 65 HG23 ILE 76 HG23 ILE 76 10.475 -23.322 -1.582 66 HD11 ILE 76 HD11 ILE 76 7.042 -26.438 -3.366 67 HD12 ILE 76 HD12 ILE 76 6.040 -26.547 -1.920 68 HD13 ILE 76 HD13 ILE 76 7.715 -27.090 -1.875 69 H ALA 77 H ALA 77 9.981 -23.522 -5.175 70 HA ALA 77 HA ALA 77 12.851 -23.902 -5.166 71 HB1 ALA 77 HB1 ALA 77 11.696 -23.383 -7.263 72 HB2 ALA 77 HB2 ALA 77 12.842 -22.104 -6.862 73 HB3 ALA 77 HB3 ALA 77 11.118 -21.862 -6.585 74 H GLN 78 H GLN 78 14.355 -22.145 -4.765 75 HA GLN 78 HA GLN 78 13.912 -20.865 -2.272 76 HB2 GLN 78 HB2 GLN 78 16.042 -20.514 -4.388 77 HB3 GLN 78 HB3 GLN 78 16.068 -19.666 -2.842 78 HG2 GLN 78 HG2 GLN 78 16.150 -21.747 -1.622 79 HG3 GLN 78 HG3 GLN 78 15.889 -22.678 -3.096 80 HE21 GLN 78 HE21 GLN 78 18.260 -22.663 -1.180 81 HE22 GLN 78 HE22 GLN 78 19.602 -22.347 -2.170 82 H MET 79 H MET 79 13.849 -18.596 -1.820 83 HA MET 79 HA MET 79 11.971 -17.167 -3.382 84 HB2 MET 79 HB2 MET 79 13.845 -16.279 -1.179 85 HB3 MET 79 HB3 MET 79 12.604 -15.245 -1.886 86 HG2 MET 79 HG2 MET 79 10.848 -16.748 -1.181 87 HG3 MET 79 HG3 MET 79 12.024 -17.957 -0.666 88 HE1 MET 79 HE1 MET 79 10.902 -13.993 1.307 89 HE2 MET 79 HE2 MET 79 10.418 -14.631 -0.261 90 HE3 MET 79 HE3 MET 79 12.021 -13.926 -0.060 91 H THR 80 H THR 80 12.200 -15.490 -4.824 92 HA THR 80 HA THR 80 14.722 -15.359 -6.238 93 HB THR 80 HB THR 80 13.527 -13.928 -7.809 94 HG1 THR 80 HG1 THR 80 11.531 -13.992 -5.801 95 HG21 THR 80 HG21 THR 80 11.743 -15.481 -8.448 96 HG22 THR 80 HG22 THR 80 11.767 -16.198 -6.836 97 HG23 THR 80 HG23 THR 80 13.158 -16.382 -7.904 98 H GLU 82 H GLU 82 15.586 -13.167 -6.884 99 HA GLU 82 HA GLU 82 16.435 -11.780 -4.585 100 HB2 GLU 82 HB2 GLU 82 16.471 -10.964 -7.504 101 HB3 GLU 82 HB3 GLU 82 17.315 -10.101 -6.218 102 HG2 GLU 82 HG2 GLU 82 17.742 -13.027 -6.877 103 HG3 GLU 82 HG3 GLU 82 18.786 -11.720 -7.430 104 H GLU 83 H GLU 83 13.884 -11.091 -6.950 105 HA GLU 83 HA GLU 83 13.213 -8.519 -5.972 106 HB2 GLU 83 HB2 GLU 83 12.435 -9.385 -8.164 107 HB3 GLU 83 HB3 GLU 83 11.417 -10.555 -7.326 108 HG2 GLU 83 HG2 GLU 83 10.080 -8.609 -7.975 109 HG3 GLU 83 HG3 GLU 83 10.206 -8.675 -6.223 110 H GLN 84 H GLN 84 12.057 -11.775 -5.205 111 HA GLN 84 HA GLN 84 10.053 -11.028 -3.363 112 HB2 GLN 84 HB2 GLN 84 11.692 -13.541 -3.689 113 HB3 GLN 84 HB3 GLN 84 10.402 -13.392 -2.495 114 HG2 GLN 84 HG2 GLN 84 10.015 -12.886 -5.456 115 HG3 GLN 84 HG3 GLN 84 9.666 -14.426 -4.674 116 HE21 GLN 84 HE21 GLN 84 8.193 -14.070 -2.569 117 HE22 GLN 84 HE22 GLN 84 6.881 -13.016 -2.797 118 H PHE 85 H PHE 85 13.483 -11.756 -3.006 119 HA PHE 85 HA PHE 85 13.619 -11.672 -0.195 120 HB2 PHE 85 HB2 PHE 85 15.435 -12.568 -1.563 121 HB3 PHE 85 HB3 PHE 85 15.717 -10.974 -2.263 122 HD1 PHE 85 HD1 PHE 85 15.788 -12.919 0.907 123 HD2 PHE 85 HD2 PHE 85 16.982 -9.316 -1.103 124 HE1 PHE 85 HE1 PHE 85 17.262 -12.344 2.815 125 HE2 PHE 85 HE2 PHE 85 18.458 -8.740 0.806 126 HZ PHE 85 HZ PHE 85 18.597 -10.255 2.765 127 H ALA 86 H ALA 86 14.192 -9.140 -2.636 128 HA ALA 86 HA ALA 86 14.813 -7.070 -0.835 129 HB1 ALA 86 HB1 ALA 86 13.647 -7.041 -3.619 130 HB2 ALA 86 HB2 ALA 86 15.319 -6.753 -3.143 131 HB3 ALA 86 HB3 ALA 86 14.074 -5.570 -2.744 132 H LEU 87 H LEU 87 11.726 -8.182 -2.153 133 HA LEU 87 HA LEU 87 10.152 -6.076 -1.103 134 HB2 LEU 87 HB2 LEU 87 9.641 -8.070 -2.836 135 HB3 LEU 87 HB3 LEU 87 8.949 -8.803 -1.395 136 HG LEU 87 HG LEU 87 8.252 -6.075 -2.522 137 HD11 LEU 87 HD11 LEU 87 6.578 -8.596 -2.322 138 HD12 LEU 87 HD12 LEU 87 7.383 -8.046 -3.791 139 HD13 LEU 87 HD13 LEU 87 6.104 -7.069 -3.070 140 HD21 LEU 87 HD21 LEU 87 7.942 -5.827 -0.210 141 HD22 LEU 87 HD22 LEU 87 7.470 -7.514 0.010 142 HD23 LEU 87 HD23 LEU 87 6.355 -6.374 -0.742 143 H ALA 88 H ALA 88 11.153 -9.210 0.202 144 HA ALA 88 HA ALA 88 9.512 -9.249 2.475 145 HB1 ALA 88 HB1 ALA 88 12.267 -10.394 1.976 146 HB2 ALA 88 HB2 ALA 88 10.719 -11.229 1.856 147 HB3 ALA 88 HB3 ALA 88 11.329 -10.725 3.432 148 H LEU 89 H LEU 89 12.729 -7.842 1.957 149 HA LEU 89 HA LEU 89 13.087 -6.977 4.648 150 HB2 LEU 89 HB2 LEU 89 14.397 -6.462 2.012 151 HB3 LEU 89 HB3 LEU 89 14.710 -5.302 3.298 152 HG LEU 89 HG LEU 89 16.373 -7.186 3.203 153 HD11 LEU 89 HD11 LEU 89 15.369 -5.941 5.411 154 HD12 LEU 89 HD12 LEU 89 16.668 -7.120 5.471 155 HD13 LEU 89 HD13 LEU 89 15.015 -7.616 5.821 156 HD21 LEU 89 HD21 LEU 89 14.239 -8.981 4.349 157 HD22 LEU 89 HD22 LEU 89 15.756 -9.415 3.569 158 HD23 LEU 89 HD23 LEU 89 14.408 -8.835 2.605 159 H LYS 90 H LYS 90 11.849 -5.381 1.733 160 HA LYS 90 HA LYS 90 11.515 -2.826 2.883 161 HB2 LYS 90 HB2 LYS 90 10.201 -4.245 0.572 162 HB3 LYS 90 HB3 LYS 90 9.777 -2.595 1.009 163 HG2 LYS 90 HG2 LYS 90 12.687 -3.308 0.684 164 HG3 LYS 90 HG3 LYS 90 11.712 -3.077 -0.760 165 HD2 LYS 90 HD2 LYS 90 11.575 -1.003 1.423 166 HD3 LYS 90 HD3 LYS 90 12.973 -1.020 0.352 167 HE2 LYS 90 HE2 LYS 90 10.092 -0.930 -0.598 168 HE3 LYS 90 HE3 LYS 90 11.148 0.475 -0.474 169 HZ1 LYS 90 HZ1 LYS 90 12.709 -1.130 -1.861 170 HZ2 LYS 90 HZ2 LYS 90 11.581 -0.098 -2.603 171 HZ3 LYS 90 HZ3 LYS 90 11.210 -1.740 -2.370 172 H MET 91 H MET 91 9.369 -5.633 2.673 173 HA MET 91 HA MET 91 7.094 -4.377 3.787 174 HB2 MET 91 HB2 MET 91 7.079 -6.542 2.537 175 HB3 MET 91 HB3 MET 91 7.837 -7.304 3.934 176 HG2 MET 91 HG2 MET 91 5.448 -7.668 4.087 177 HG3 MET 91 HG3 MET 91 5.898 -6.508 5.332 178 HE1 MET 91 HE1 MET 91 2.327 -5.510 4.122 179 HE2 MET 91 HE2 MET 91 3.337 -5.540 5.565 180 HE3 MET 91 HE3 MET 91 3.141 -7.004 4.606 181 H SER 92 H SER 92 9.790 -6.168 5.212 182 HA SER 92 HA SER 92 8.796 -6.269 7.851 183 HB2 SER 92 HB2 SER 92 11.110 -6.731 8.496 184 HB3 SER 92 HB3 SER 92 10.686 -7.637 7.047 185 HG SER 92 HG SER 92 11.768 -5.076 6.754 186 H GLU 93 H GLU 93 10.722 -3.845 6.133 187 HA GLU 93 HA GLU 93 11.293 -2.216 8.381 188 HB2 GLU 93 HB2 GLU 93 11.144 -1.627 5.421 189 HB3 GLU 93 HB3 GLU 93 11.623 -0.419 6.613 190 HG2 GLU 93 HG2 GLU 93 13.496 -1.771 7.325 191 HG3 GLU 93 HG3 GLU 93 12.960 -3.123 6.331 192 H GLN 94 H GLN 94 8.615 -2.259 6.064 193 HA GLN 94 HA GLN 94 7.368 0.123 6.947 194 HB2 GLN 94 HB2 GLN 94 6.277 -2.342 5.571 195 HB3 GLN 94 HB3 GLN 94 5.314 -0.898 5.876 196 HG2 GLN 94 HG2 GLN 94 7.917 -0.928 4.321 197 HG3 GLN 94 HG3 GLN 94 6.315 -0.923 3.588 198 HE21 GLN 94 HE21 GLN 94 8.745 1.159 4.088 199 HE22 GLN 94 HE22 GLN 94 7.883 2.584 4.417 200 H GLU 95 H GLU 95 7.111 -3.236 7.983 201 HA GLU 95 HA GLU 95 4.971 -2.702 9.838 202 HB2 GLU 95 HB2 GLU 95 6.814 -5.088 9.563 203 HB3 GLU 95 HB3 GLU 95 5.384 -5.020 10.593 204 HG2 GLU 95 HG2 GLU 95 5.349 -4.586 7.594 205 HG3 GLU 95 HG3 GLU 95 4.948 -6.109 8.382 206 H ALA 96 H ALA 96 8.382 -2.348 9.859 207 HA ALA 96 HA ALA 96 9.823 -1.587 11.476 208 HB1 ALA 96 HB1 ALA 96 8.983 -0.330 13.266 209 HB2 ALA 96 HB2 ALA 96 7.512 -1.291 13.382 210 HB3 ALA 96 HB3 ALA 96 7.728 -0.170 12.038 211 H ARG 97 H ARG 97 9.014 -4.409 11.220 212 HA ARG 97 HA ARG 97 10.409 -5.456 13.464 213 HB2 ARG 97 HB2 ARG 97 8.548 -6.700 14.524 214 HB3 ARG 97 HB3 ARG 97 8.331 -4.963 14.660 215 HG2 ARG 97 HG2 ARG 97 6.834 -4.994 12.690 216 HG3 ARG 97 HG3 ARG 97 7.017 -6.744 12.590 217 HD2 ARG 97 HD2 ARG 97 4.952 -6.188 13.783 218 HD3 ARG 97 HD3 ARG 97 6.095 -6.962 14.877 219 HE ARG 97 HE ARG 97 6.266 -4.954 16.051 220 HH11 ARG 97 HH21 ARG 97 4.671 -4.518 13.012 221 HH12 ARG 97 HH22 ARG 97 4.177 -2.893 13.347 222 HH21 ARG 97 HH11 ARG 97 5.621 -2.825 16.499 223 HH22 ARG 97 HH12 ARG 97 4.715 -1.934 15.324 224 H GLU 98 H GLU 98 8.716 -7.954 13.370 225 HA GLU 98 HA GLU 98 8.508 -9.884 12.162 226 HB2 GLU 98 HB2 GLU 98 7.748 -8.167 10.352 227 HB3 GLU 98 HB3 GLU 98 9.339 -8.447 9.647 228 HG2 GLU 98 HG2 GLU 98 7.853 -10.006 8.599 229 HG3 GLU 98 HG3 GLU 98 8.824 -10.932 9.741 230 H VAL 99 H VAL 99 9.858 -11.514 11.186 231 HA VAL 99 HA VAL 99 12.591 -11.259 12.024 232 HB VAL 99 HB VAL 99 11.640 -13.499 10.272 233 HG11 VAL 99 HG11 VAL 99 13.309 -13.426 12.806 234 HG12 VAL 99 HG12 VAL 99 13.962 -13.427 11.167 235 HG13 VAL 99 HG13 VAL 99 13.058 -14.821 11.757 236 HG21 VAL 99 HG21 VAL 99 10.766 -14.528 12.497 237 HG22 VAL 99 HG22 VAL 99 9.737 -13.352 11.681 238 HG23 VAL 99 HG23 VAL 99 10.697 -12.864 13.078 239 H ASN 100 H ASN 100 14.401 -11.055 10.796 240 HA ASN 100 HA ASN 100 14.093 -9.890 8.176 241 HB2 ASN 100 HB2 ASN 100 16.520 -10.585 9.840 242 HB3 ASN 100 HB3 ASN 100 16.611 -9.822 8.253 243 HD21 ASN 100 HD21 ASN 100 17.518 -8.521 10.680 244 HD22 ASN 100 HD22 ASN 100 16.519 -7.176 10.944 245 H SER 101 H SER 101 14.138 -10.919 6.305 246 HA SER 101 HA SER 101 14.184 -13.683 5.981 247 HB2 SER 101 HB2 SER 101 13.318 -12.100 4.280 248 HB3 SER 101 HB3 SER 101 14.970 -11.601 3.925 249 HG SER 101 HG SER 101 15.284 -13.997 3.616 250 H GLN 102 H GLN 102 16.772 -11.486 6.444 251 HA GLN 102 HA GLN 102 18.885 -12.828 5.156 252 HB2 GLN 102 HB2 GLN 102 18.822 -11.045 7.597 253 HB3 GLN 102 HB3 GLN 102 20.316 -11.653 6.886 254 HG2 GLN 102 HG2 GLN 102 19.816 -10.577 4.771 255 HG3 GLN 102 HG3 GLN 102 18.226 -10.089 5.351 256 HE21 GLN 102 HE21 GLN 102 20.047 -9.736 8.044 257 HE22 GLN 102 HE22 GLN 102 20.571 -8.134 7.851 258 H GLU 103 H GLU 103 17.368 -13.288 8.305 259 HA GLU 103 HA GLU 103 19.277 -15.033 9.426 260 HB2 GLU 103 HB2 GLU 103 16.283 -14.820 9.850 261 HB3 GLU 103 HB3 GLU 103 17.350 -15.812 10.843 262 HG2 GLU 103 HG2 GLU 103 17.718 -12.835 10.422 263 HG3 GLU 103 HG3 GLU 103 16.893 -13.537 11.811 264 H GLU 104 H GLU 104 16.467 -15.626 7.343 265 HA GLU 104 HA GLU 104 16.576 -18.455 7.437 266 HB2 GLU 104 HB2 GLU 104 15.465 -16.529 5.391 267 HB3 GLU 104 HB3 GLU 104 15.299 -18.280 5.249 268 HG2 GLU 104 HG2 GLU 104 14.101 -18.399 7.347 269 HG3 GLU 104 HG3 GLU 104 14.407 -16.694 7.672 270 H GLU 105 H GLU 105 18.077 -16.061 5.306 271 HA GLU 105 HA GLU 105 19.207 -17.895 3.472 272 HB2 GLU 105 HB2 GLU 105 18.987 -15.448 3.061 273 HB3 GLU 105 HB3 GLU 105 20.257 -15.164 4.251 274 HG2 GLU 105 HG2 GLU 105 21.835 -16.487 2.926 275 HG3 GLU 105 HG3 GLU 105 20.568 -16.857 1.757 276 H GLU 106 H GLU 106 20.396 -16.482 6.489 277 HA GLU 106 HA GLU 106 23.020 -17.518 6.366 278 HB2 GLU 106 HB2 GLU 106 22.320 -15.729 7.931 279 HB3 GLU 106 HB3 GLU 106 21.356 -16.909 8.822 280 HG2 GLU 106 HG2 GLU 106 23.352 -18.203 9.353 281 HG3 GLU 106 HG3 GLU 106 24.344 -17.132 8.364 282 H GLU 107 H GLU 107 20.006 -18.821 7.696 283 HA GLU 107 HA GLU 107 21.086 -21.110 8.924 284 HB2 GLU 107 HB2 GLU 107 18.764 -20.295 9.269 285 HB3 GLU 107 HB3 GLU 107 18.365 -20.808 7.629 286 HG2 GLU 107 HG2 GLU 107 18.933 -23.130 8.195 287 HG3 GLU 107 HG3 GLU 107 19.390 -22.635 9.824 288 H GLU 108 H GLU 108 19.876 -20.570 5.626 289 HA GLU 108 HA GLU 108 20.182 -23.233 4.721 290 HB2 GLU 108 HB2 GLU 108 20.180 -20.586 3.253 291 HB3 GLU 108 HB3 GLU 108 20.227 -22.149 2.434 292 HG2 GLU 108 HG2 GLU 108 18.116 -22.801 3.458 293 HG3 GLU 108 HG3 GLU 108 18.088 -21.320 4.415 294 H LEU 109 H LEU 109 22.357 -20.436 4.678 295 HA LEU 109 HA LEU 109 24.453 -21.677 3.224 296 HB2 LEU 109 HB2 LEU 109 24.434 -19.356 5.158 297 HB3 LEU 109 HB3 LEU 109 25.859 -19.843 4.244 298 HG LEU 109 HG LEU 109 23.192 -19.155 2.976 299 HD11 LEU 109 HD11 LEU 109 24.041 -17.167 4.058 300 HD12 LEU 109 HD12 LEU 109 24.332 -17.015 2.325 301 HD13 LEU 109 HD13 LEU 109 25.658 -17.444 3.408 302 HD21 LEU 109 HD21 LEU 109 25.912 -19.907 1.928 303 HD22 LEU 109 HD22 LEU 109 24.941 -18.772 0.997 304 HD23 LEU 109 HD23 LEU 109 24.319 -20.380 1.340 305 H LEU 110 H LEU 110 23.691 -21.455 6.657 306 HA LEU 110 HA LEU 110 26.090 -22.538 7.643 307 HB2 LEU 110 HB2 LEU 110 24.474 -21.441 9.110 308 HB3 LEU 110 HB3 LEU 110 23.289 -22.703 8.782 309 HG LEU 110 HG LEU 110 24.787 -24.386 9.800 310 HD11 LEU 110 HD11 LEU 110 26.628 -22.010 9.982 311 HD12 LEU 110 HD12 LEU 110 26.986 -23.659 9.461 312 HD13 LEU 110 HD13 LEU 110 26.754 -23.308 11.169 313 HD21 LEU 110 HD21 LEU 110 24.204 -21.925 11.466 314 HD22 LEU 110 HD22 LEU 110 24.717 -23.464 12.156 315 HD23 LEU 110 HD23 LEU 110 23.190 -23.355 11.281 316 H ARG 111 H ARG 111 23.043 -24.082 6.688 317 HA ARG 111 HA ARG 111 23.734 -26.700 7.412 318 HB2 ARG 111 HB2 ARG 111 21.450 -26.023 6.846 319 HB3 ARG 111 HB3 ARG 111 21.930 -25.761 5.176 320 HG2 ARG 111 HG2 ARG 111 22.614 -28.452 6.259 321 HG3 ARG 111 HG3 ARG 111 20.890 -28.127 6.140 322 HD2 ARG 111 HD2 ARG 111 21.171 -27.511 3.763 323 HD3 ARG 111 HD3 ARG 111 22.893 -27.844 3.877 324 HE ARG 111 HE ARG 111 21.346 -30.102 4.703 325 HH11 ARG 111 HH21 ARG 111 22.449 -28.276 1.985 326 HH12 ARG 111 HH22 ARG 111 22.404 -29.617 0.889 327 HH21 ARG 111 HH11 ARG 111 21.283 -31.865 3.282 328 HH22 ARG 111 HH12 ARG 111 21.742 -31.654 1.625 329 H LYS 112 H LYS 112 24.201 -24.942 4.369 330 HA LYS 112 HA LYS 112 25.282 -27.091 2.896 331 HB2 LYS 112 HB2 LYS 112 25.650 -24.097 2.665 332 HB3 LYS 112 HB3 LYS 112 26.297 -25.248 1.495 333 HG2 LYS 112 HG2 LYS 112 24.045 -26.103 1.044 334 HG3 LYS 112 HG3 LYS 112 23.372 -25.014 2.260 335 HD2 LYS 112 HD2 LYS 112 24.174 -23.070 0.964 336 HD3 LYS 112 HD3 LYS 112 24.837 -24.160 -0.256 337 HE2 LYS 112 HE2 LYS 112 21.913 -24.066 0.538 338 HE3 LYS 112 HE3 LYS 112 22.585 -23.246 -0.871 339 HZ1 LYS 112 HZ1 LYS 112 23.040 -25.226 -1.919 340 HZ2 LYS 112 HZ2 LYS 112 21.586 -25.598 -1.123 341 HZ3 LYS 112 HZ3 LYS 112 23.068 -26.122 -0.480 342 H ALA 113 H ALA 113 26.779 -24.654 4.983 343 HA ALA 113 HA ALA 113 29.472 -25.309 4.459 344 HB1 ALA 113 HB1 ALA 113 28.190 -24.145 6.939 345 HB2 ALA 113 HB2 ALA 113 28.881 -23.245 5.590 346 HB3 ALA 113 HB3 ALA 113 29.927 -24.202 6.638 347 H ILE 114 H ILE 114 27.166 -26.548 6.846 348 HA ILE 114 HA ILE 114 28.979 -28.153 8.296 349 HB ILE 114 HB ILE 114 25.996 -28.412 7.864 350 HG12 ILE 114 HG12 ILE 114 27.563 -27.503 10.295 351 HG13 ILE 114 HG13 ILE 114 26.962 -26.384 9.073 352 HG21 ILE 114 HG21 ILE 114 27.916 -29.963 9.613 353 HG22 ILE 114 HG22 ILE 114 26.706 -30.595 8.498 354 HG23 ILE 114 HG23 ILE 114 26.201 -29.832 10.005 355 HD11 ILE 114 HD11 ILE 114 25.323 -26.484 10.849 356 HD12 ILE 114 HD12 ILE 114 25.318 -28.247 10.807 357 HD13 ILE 114 HD13 ILE 114 24.656 -27.333 9.457 358 H ALA 115 H ALA 115 26.918 -28.877 5.486 359 HA ALA 115 HA ALA 115 27.491 -31.625 5.320 360 HB1 ALA 115 HB1 ALA 115 26.692 -31.480 3.030 361 HB2 ALA 115 HB2 ALA 115 26.918 -29.731 3.026 362 HB3 ALA 115 HB3 ALA 115 25.685 -30.459 4.054 363 H GLU 116 H GLU 116 29.139 -28.794 3.999 364 HA GLU 116 HA GLU 116 31.054 -30.188 2.445 365 HB2 GLU 116 HB2 GLU 116 31.118 -27.446 3.720 366 HB3 GLU 116 HB3 GLU 116 32.346 -28.042 2.603 367 HG2 GLU 116 HG2 GLU 116 29.395 -27.954 1.936 368 HG3 GLU 116 HG3 GLU 116 30.523 -26.668 1.515 369 H SER 117 H SER 117 30.975 -29.131 5.809 370 HA SER 117 HA SER 117 33.658 -29.641 6.475 371 HB2 SER 117 HB2 SER 117 32.150 -28.391 7.948 372 HB3 SER 117 HB3 SER 117 31.178 -29.837 8.204 373 HG SER 117 HG SER 117 33.909 -30.058 8.666 374 H LEU 118 H LEU 118 30.800 -31.755 6.516 375 HA LEU 118 HA LEU 118 32.125 -33.987 7.680 376 HB2 LEU 118 HB2 LEU 118 29.547 -33.522 6.229 377 HB3 LEU 118 HB3 LEU 118 30.116 -35.186 6.345 378 HG LEU 118 HG LEU 118 30.347 -34.833 8.847 379 HD11 LEU 118 HD11 LEU 118 30.420 -32.347 8.747 380 HD12 LEU 118 HD12 LEU 118 29.154 -32.931 9.826 381 HD13 LEU 118 HD13 LEU 118 28.738 -32.341 8.217 382 HD21 LEU 118 HD21 LEU 118 28.404 -35.976 7.786 383 HD22 LEU 118 HD22 LEU 118 27.578 -34.422 7.680 384 HD23 LEU 118 HD23 LEU 118 27.951 -35.114 9.258 385 H ASN 119 H ASN 119 31.676 -32.895 4.357 386 HA ASN 119 HA ASN 119 32.820 -35.267 3.198 387 HB2 ASN 119 HB2 ASN 119 32.212 -32.525 2.087 388 HB3 ASN 119 HB3 ASN 119 32.873 -33.841 1.120 389 HD21 ASN 119 HD21 ASN 119 30.048 -32.408 1.392 390 HD22 ASN 119 HD22 ASN 119 28.981 -33.728 1.377 391 H SER 120 H SER 120 34.055 -32.458 4.685 392 HA SER 120 HA SER 120 36.620 -32.513 3.303 393 HB2 SER 120 HB2 SER 120 35.607 -30.876 5.635 394 HB3 SER 120 HB3 SER 120 37.206 -30.701 4.917 395 HG SER 120 HG SER 120 36.305 -29.981 3.067 396 H CYS 121 H CYS 121 38.519 -33.289 4.115 397 HA CYS 121 HA CYS 121 38.338 -35.290 6.176 398 HB2 CYS 121 HB2 CYS 121 40.638 -35.768 5.667 399 HB3 CYS 121 HB3 CYS 121 39.791 -35.492 4.145 400 HG CYS 121 HG CYS 121 41.943 -33.648 5.360 401 H ARG 122 H ARG 122 39.805 -35.370 8.035 402 HA ARG 122 HA ARG 122 39.609 -32.975 9.527 403 HB2 ARG 122 HB2 ARG 122 41.011 -35.558 10.143 404 HB3 ARG 122 HB3 ARG 122 40.856 -34.220 11.283 405 HG2 ARG 122 HG2 ARG 122 38.433 -34.326 11.153 406 HG3 ARG 122 HG3 ARG 122 38.521 -35.583 9.919 407 HD2 ARG 122 HD2 ARG 122 38.083 -36.594 12.098 408 HD3 ARG 122 HD3 ARG 122 39.688 -37.056 11.537 409 HE ARG 122 HE ARG 122 39.798 -34.703 13.159 410 HH11 ARG 122 HH21 ARG 122 39.424 -38.141 13.209 411 HH12 ARG 122 HH22 ARG 122 40.080 -38.329 14.801 412 HH21 ARG 122 HH11 ARG 122 40.664 -34.940 15.249 413 HH22 ARG 122 HH12 ARG 122 40.782 -36.517 15.956 414 HA PRO 123 HA PRO 123 43.417 -30.965 8.178 415 HB2 PRO 123 HB2 PRO 123 43.450 -29.914 10.990 416 HB3 PRO 123 HB3 PRO 123 43.583 -29.033 9.454 417 HG2 PRO 123 HG2 PRO 123 41.338 -28.993 10.879 418 HG3 PRO 123 HG3 PRO 123 41.304 -29.029 9.105 419 HD2 PRO 123 HD2 PRO 123 40.707 -31.237 11.046 420 HD3 PRO 123 HD3 PRO 123 40.018 -30.900 9.435 421 H SER 124 H SER 124 45.656 -31.251 8.439 422 HA SER 124 HA SER 124 46.504 -33.594 9.833 423 HB2 SER 124 HB2 SER 124 48.691 -33.091 8.964 424 HB3 SER 124 HB3 SER 124 47.521 -32.697 7.708 425 HG SER 124 HG SER 124 48.031 -30.661 7.889 426 H ASP 125 H ASP 125 48.206 -33.653 11.473 427 HA ASP 125 HA ASP 125 47.692 -31.715 13.578 428 HB2 ASP 125 HB2 ASP 125 49.404 -34.206 13.443 429 HB3 ASP 125 HB3 ASP 125 49.248 -33.200 14.883 430 H ALA 126 H ALA 126 48.846 -29.919 13.841 431 HA ALA 126 HA ALA 126 51.092 -29.244 12.271 432 HB1 ALA 126 HB1 ALA 126 50.042 -28.062 14.847 433 HB2 ALA 126 HB2 ALA 126 49.709 -27.504 13.207 434 HB3 ALA 126 HB3 ALA 126 51.330 -27.339 13.884 435 H SER 127 H SER 127 50.775 -30.579 15.519 436 HA SER 127 HA SER 127 53.665 -30.507 15.957 437 HB2 SER 127 HB2 SER 127 51.395 -31.543 17.667 438 HB3 SER 127 HB3 SER 127 53.089 -31.514 18.151 439 HG SER 127 HG SER 127 52.815 -29.501 18.643 440 H ALA 128 H ALA 128 51.469 -32.513 14.429 441 HA ALA 128 HA ALA 128 51.788 -34.557 13.409 442 HB1 ALA 128 HB1 ALA 128 53.911 -35.477 13.243 443 HB2 ALA 128 HB2 ALA 128 54.339 -35.074 14.901 444 HB3 ALA 128 HB3 ALA 128 54.320 -33.815 13.669 445 H THR 129 H THR 129 51.521 -33.911 16.654 446 HA THR 129 HA THR 129 51.485 -36.650 17.614 447 HB THR 129 HB THR 129 50.830 -35.671 19.742 448 HG1 THR 129 HG1 THR 129 50.853 -33.110 18.626 449 HG21 THR 129 HG21 THR 129 53.207 -35.522 19.080 450 HG22 THR 129 HG22 THR 129 52.734 -34.142 20.070 451 HG23 THR 129 HG23 THR 129 52.894 -33.961 18.324 452 H ARG 130 H ARG 130 49.602 -37.684 18.456 453 HA ARG 130 HA ARG 130 47.258 -37.267 16.800 454 HB2 ARG 130 HB2 ARG 130 46.411 -39.281 18.083 455 HB3 ARG 130 HB3 ARG 130 47.863 -39.544 17.127 456 HG2 ARG 130 HG2 ARG 130 48.339 -38.645 19.934 457 HG3 ARG 130 HG3 ARG 130 47.631 -40.247 19.769 458 HD2 ARG 130 HD2 ARG 130 49.458 -40.923 18.272 459 HD3 ARG 130 HD3 ARG 130 50.164 -39.318 18.383 460 HE ARG 130 HE ARG 130 50.246 -41.396 20.417 461 HH11 ARG 130 HH21 ARG 130 50.563 -38.038 19.637 462 HH12 ARG 130 HH22 ARG 130 51.574 -37.679 20.997 463 HH21 ARG 130 HH11 ARG 130 51.567 -40.935 22.195 464 HH22 ARG 130 HH12 ARG 130 52.144 -39.321 22.446 465 H SER 131 H SER 131 45.165 -36.851 17.580 466 HA SER 131 HA SER 131 44.637 -36.335 20.347 467 HB2 SER 131 HB2 SER 131 44.756 -33.931 18.515 468 HB3 SER 131 HB3 SER 131 44.299 -33.937 20.216 469 HG SER 131 HG SER 131 46.753 -33.877 19.085 Start of MODEL 12 1 H1 GLY -4 H1 GLY -4 20.351 -38.257 -14.392 2 H2 GLY -4 H2 GLY -4 20.253 -37.137 -13.119 3 H3 GLY -4 H3 GLY -4 19.326 -36.913 -14.526 4 HA2 GLY -4 HA2 GLY -4 17.668 -37.909 -13.455 5 HA3 GLY -4 HA3 GLY -4 18.590 -39.394 -13.694 6 HA PRO -3 HA PRO -3 19.795 -39.871 -9.473 7 HB2 PRO -3 HB2 PRO -3 22.477 -38.563 -9.799 8 HB3 PRO -3 HB3 PRO -3 22.078 -40.182 -9.180 9 HG2 PRO -3 HG2 PRO -3 23.103 -39.889 -11.606 10 HG3 PRO -3 HG3 PRO -3 21.819 -41.074 -11.306 11 HD2 PRO -3 HD2 PRO -3 21.629 -38.374 -12.606 12 HD3 PRO -3 HD3 PRO -3 20.810 -39.892 -13.038 13 H LEU -2 H LEU -2 20.488 -36.677 -10.757 14 HA LEU -2 HA LEU -2 19.473 -35.461 -8.267 15 HB2 LEU -2 HB2 LEU -2 21.280 -33.808 -8.285 16 HB3 LEU -2 HB3 LEU -2 21.914 -35.442 -8.092 17 HG LEU -2 HG LEU -2 21.928 -35.182 -10.861 18 HD11 LEU -2 HD11 LEU -2 22.776 -33.020 -11.461 19 HD12 LEU -2 HD12 LEU -2 22.892 -32.527 -9.772 20 HD13 LEU -2 HD13 LEU -2 21.310 -32.738 -10.519 21 HD21 LEU -2 HD21 LEU -2 24.385 -34.815 -10.600 22 HD22 LEU -2 HD22 LEU -2 23.768 -36.080 -9.538 23 HD23 LEU -2 HD23 LEU -2 24.125 -34.481 -8.886 24 H GLY -1 H GLY -1 18.790 -33.247 -8.559 25 HA2 GLY -1 HA2 GLY -1 18.649 -32.052 -11.154 26 HA3 GLY -1 HA3 GLY -1 17.123 -32.811 -10.710 27 H SER 0 H SER 0 19.563 -30.521 -9.511 28 HA SER 0 HA SER 0 17.882 -29.397 -7.496 29 HB2 SER 0 HB2 SER 0 19.601 -27.692 -7.290 30 HB3 SER 0 HB3 SER 0 20.365 -29.271 -7.454 31 HG SER 0 HG SER 0 20.588 -28.795 -9.704 32 H ARG 74 H ARG 74 17.874 -29.155 -10.851 33 HA ARG 74 HA ARG 74 17.131 -26.439 -11.213 34 HB2 ARG 74 HB2 ARG 74 16.595 -28.899 -12.890 35 HB3 ARG 74 HB3 ARG 74 16.230 -27.251 -13.405 36 HG2 ARG 74 HG2 ARG 74 18.573 -26.623 -13.220 37 HG3 ARG 74 HG3 ARG 74 18.978 -28.206 -12.557 38 HD2 ARG 74 HD2 ARG 74 19.545 -28.182 -14.920 39 HD3 ARG 74 HD3 ARG 74 18.170 -29.255 -14.673 40 HE ARG 74 HE ARG 74 17.260 -26.633 -15.289 41 HH11 ARG 74 HH21 ARG 74 18.777 -29.427 -16.657 42 HH12 ARG 74 HH22 ARG 74 18.170 -29.143 -18.256 43 HH21 ARG 74 HH11 ARG 74 16.463 -26.255 -17.381 44 HH22 ARG 74 HH12 ARG 74 16.860 -27.348 -18.666 45 H LYS 75 H LYS 75 15.462 -29.168 -9.968 46 HA LYS 75 HA LYS 75 12.809 -28.142 -10.554 47 HB2 LYS 75 HB2 LYS 75 13.772 -30.493 -8.921 48 HB3 LYS 75 HB3 LYS 75 12.071 -30.091 -9.157 49 HG2 LYS 75 HG2 LYS 75 12.345 -30.308 -11.594 50 HG3 LYS 75 HG3 LYS 75 14.055 -30.680 -11.376 51 HD2 LYS 75 HD2 LYS 75 13.453 -32.680 -10.054 52 HD3 LYS 75 HD3 LYS 75 11.742 -32.312 -10.283 53 HE2 LYS 75 HE2 LYS 75 13.705 -32.817 -12.538 54 HE3 LYS 75 HE3 LYS 75 12.584 -34.019 -11.902 55 HZ1 LYS 75 HZ1 LYS 75 11.020 -31.841 -12.370 56 HZ2 LYS 75 HZ2 LYS 75 11.145 -33.210 -13.371 57 HZ3 LYS 75 HZ3 LYS 75 12.092 -31.835 -13.686 58 H ILE 76 H ILE 76 15.142 -27.459 -8.337 59 HA ILE 76 HA ILE 76 13.361 -26.895 -6.087 60 HB ILE 76 HB ILE 76 16.324 -26.399 -6.466 61 HG12 ILE 76 HG12 ILE 76 14.880 -28.374 -4.677 62 HG13 ILE 76 HG13 ILE 76 15.482 -28.793 -6.282 63 HG21 ILE 76 HG21 ILE 76 16.180 -26.075 -3.926 64 HG22 ILE 76 HG22 ILE 76 14.440 -25.901 -4.151 65 HG23 ILE 76 HG23 ILE 76 15.545 -24.760 -4.915 66 HD11 ILE 76 HD11 ILE 76 17.175 -29.425 -4.678 67 HD12 ILE 76 HD12 ILE 76 17.110 -27.837 -3.913 68 HD13 ILE 76 HD13 ILE 76 17.761 -28.004 -5.544 69 H ALA 77 H ALA 77 12.328 -25.028 -5.821 70 HA ALA 77 HA ALA 77 12.965 -22.770 -7.593 71 HB1 ALA 77 HB1 ALA 77 10.831 -21.841 -6.715 72 HB2 ALA 77 HB2 ALA 77 10.657 -23.273 -5.700 73 HB3 ALA 77 HB3 ALA 77 10.630 -23.428 -7.456 74 H GLN 78 H GLN 78 14.610 -21.582 -6.817 75 HA GLN 78 HA GLN 78 14.896 -21.062 -3.961 76 HB2 GLN 78 HB2 GLN 78 16.517 -20.133 -6.343 77 HB3 GLN 78 HB3 GLN 78 16.919 -19.811 -4.656 78 HG2 GLN 78 HG2 GLN 78 17.012 -22.243 -4.219 79 HG3 GLN 78 HG3 GLN 78 16.637 -22.556 -5.912 80 HE21 GLN 78 HE21 GLN 78 19.207 -22.625 -3.910 81 HE22 GLN 78 HE22 GLN 78 20.439 -22.131 -4.969 82 H MET 79 H MET 79 14.918 -18.946 -3.055 83 HA MET 79 HA MET 79 12.787 -17.285 -3.883 84 HB2 MET 79 HB2 MET 79 13.654 -15.705 -2.182 85 HB3 MET 79 HB3 MET 79 13.548 -17.353 -1.561 86 HG2 MET 79 HG2 MET 79 15.976 -17.658 -2.121 87 HG3 MET 79 HG3 MET 79 16.044 -15.953 -2.564 88 HE1 MET 79 HE1 MET 79 17.997 -15.754 0.592 89 HE2 MET 79 HE2 MET 79 17.996 -16.134 -1.128 90 HE3 MET 79 HE3 MET 79 17.848 -17.432 0.053 91 H THR 80 H THR 80 12.691 -15.490 -5.148 92 HA THR 80 HA THR 80 14.969 -14.945 -6.865 93 HB THR 80 HB THR 80 13.443 -13.463 -8.050 94 HG1 THR 80 HG1 THR 80 11.802 -12.642 -7.056 95 HG21 THR 80 HG21 THR 80 13.314 -16.008 -8.271 96 HG22 THR 80 HG22 THR 80 11.893 -15.110 -8.803 97 HG23 THR 80 HG23 THR 80 11.886 -15.922 -7.239 98 H GLU 82 H GLU 82 15.694 -12.702 -7.247 99 HA GLU 82 HA GLU 82 16.578 -11.474 -4.863 100 HB2 GLU 82 HB2 GLU 82 16.456 -10.483 -7.722 101 HB3 GLU 82 HB3 GLU 82 17.229 -9.584 -6.417 102 HG2 GLU 82 HG2 GLU 82 18.997 -10.815 -7.407 103 HG3 GLU 82 HG3 GLU 82 18.579 -11.741 -5.967 104 H GLU 83 H GLU 83 13.913 -10.723 -7.074 105 HA GLU 83 HA GLU 83 13.137 -8.305 -5.820 106 HB2 GLU 83 HB2 GLU 83 12.396 -9.049 -8.099 107 HB3 GLU 83 HB3 GLU 83 11.371 -10.254 -7.318 108 HG2 GLU 83 HG2 GLU 83 10.005 -8.313 -7.796 109 HG3 GLU 83 HG3 GLU 83 10.257 -8.377 -6.051 110 H GLN 84 H GLN 84 12.166 -11.708 -5.330 111 HA GLN 84 HA GLN 84 10.116 -11.239 -3.484 112 HB2 GLN 84 HB2 GLN 84 10.493 -13.389 -4.637 113 HB3 GLN 84 HB3 GLN 84 11.964 -13.621 -3.690 114 HG2 GLN 84 HG2 GLN 84 10.690 -13.601 -1.627 115 HG3 GLN 84 HG3 GLN 84 9.212 -13.234 -2.510 116 HE21 GLN 84 HE21 GLN 84 9.024 -15.511 -1.016 117 HE22 GLN 84 HE22 GLN 84 9.163 -16.900 -1.980 118 H PHE 85 H PHE 85 13.583 -11.798 -3.063 119 HA PHE 85 HA PHE 85 13.596 -11.837 -0.240 120 HB2 PHE 85 HB2 PHE 85 15.488 -12.644 -1.568 121 HB3 PHE 85 HB3 PHE 85 15.787 -11.007 -2.158 122 HD1 PHE 85 HD1 PHE 85 15.477 -12.985 1.009 123 HD2 PHE 85 HD2 PHE 85 17.184 -9.555 -0.934 124 HE1 PHE 85 HE1 PHE 85 16.833 -12.516 3.030 125 HE2 PHE 85 HE2 PHE 85 18.538 -9.086 1.088 126 HZ PHE 85 HZ PHE 85 18.364 -10.565 3.070 127 H ALA 86 H ALA 86 14.112 -9.201 -2.566 128 HA ALA 86 HA ALA 86 14.672 -7.173 -0.702 129 HB1 ALA 86 HB1 ALA 86 15.139 -6.747 -2.998 130 HB2 ALA 86 HB2 ALA 86 13.843 -5.638 -2.552 131 HB3 ALA 86 HB3 ALA 86 13.477 -7.096 -3.472 132 H LEU 87 H LEU 87 11.611 -8.330 -2.039 133 HA LEU 87 HA LEU 87 9.961 -6.351 -0.916 134 HB2 LEU 87 HB2 LEU 87 9.627 -8.966 -2.217 135 HB3 LEU 87 HB3 LEU 87 8.378 -8.667 -1.005 136 HG LEU 87 HG LEU 87 7.747 -7.838 -3.264 137 HD11 LEU 87 HD11 LEU 87 6.563 -6.141 -2.298 138 HD12 LEU 87 HD12 LEU 87 8.012 -5.255 -1.837 139 HD13 LEU 87 HD13 LEU 87 7.409 -6.553 -0.804 140 HD21 LEU 87 HD21 LEU 87 10.372 -7.076 -3.541 141 HD22 LEU 87 HD22 LEU 87 9.642 -5.535 -3.109 142 HD23 LEU 87 HD23 LEU 87 9.059 -6.419 -4.517 143 H ALA 88 H ALA 88 11.123 -9.425 0.364 144 HA ALA 88 HA ALA 88 9.541 -9.485 2.681 145 HB1 ALA 88 HB1 ALA 88 11.191 -11.048 3.550 146 HB2 ALA 88 HB2 ALA 88 12.364 -10.520 2.342 147 HB3 ALA 88 HB3 ALA 88 10.911 -11.382 1.840 148 H LEU 89 H LEU 89 12.719 -8.039 2.062 149 HA LEU 89 HA LEU 89 13.109 -7.110 4.728 150 HB2 LEU 89 HB2 LEU 89 14.335 -6.281 2.093 151 HB3 LEU 89 HB3 LEU 89 14.855 -5.645 3.654 152 HG LEU 89 HG LEU 89 14.786 -8.595 2.954 153 HD11 LEU 89 HD11 LEU 89 16.997 -6.546 2.792 154 HD12 LEU 89 HD12 LEU 89 16.475 -7.698 1.563 155 HD13 LEU 89 HD13 LEU 89 17.345 -8.262 2.988 156 HD21 LEU 89 HD21 LEU 89 16.514 -8.459 5.006 157 HD22 LEU 89 HD22 LEU 89 14.781 -8.597 5.279 158 HD23 LEU 89 HD23 LEU 89 15.565 -7.023 5.398 159 H LYS 90 H LYS 90 11.761 -5.660 1.811 160 HA LYS 90 HA LYS 90 11.502 -3.033 2.806 161 HB2 LYS 90 HB2 LYS 90 11.295 -3.717 0.417 162 HB3 LYS 90 HB3 LYS 90 9.720 -4.414 0.793 163 HG2 LYS 90 HG2 LYS 90 8.963 -2.188 1.628 164 HG3 LYS 90 HG3 LYS 90 10.516 -1.508 1.143 165 HD2 LYS 90 HD2 LYS 90 8.752 -2.977 -0.817 166 HD3 LYS 90 HD3 LYS 90 8.555 -1.252 -0.514 167 HE2 LYS 90 HE2 LYS 90 11.018 -0.976 -1.065 168 HE3 LYS 90 HE3 LYS 90 11.016 -2.660 -1.589 169 HZ1 LYS 90 HZ1 LYS 90 10.493 -0.663 -3.213 170 HZ2 LYS 90 HZ2 LYS 90 8.917 -0.955 -2.650 171 HZ3 LYS 90 HZ3 LYS 90 9.799 -2.198 -3.401 172 H MET 91 H MET 91 9.324 -5.826 2.884 173 HA MET 91 HA MET 91 7.101 -4.505 4.012 174 HB2 MET 91 HB2 MET 91 6.943 -6.728 2.981 175 HB3 MET 91 HB3 MET 91 7.940 -7.400 4.272 176 HG2 MET 91 HG2 MET 91 6.254 -6.811 5.939 177 HG3 MET 91 HG3 MET 91 5.283 -6.005 4.709 178 HE1 MET 91 HE1 MET 91 5.966 -10.450 5.429 179 HE2 MET 91 HE2 MET 91 6.777 -9.066 6.152 180 HE3 MET 91 HE3 MET 91 7.239 -9.604 4.539 181 H SER 92 H SER 92 9.856 -6.187 5.475 182 HA SER 92 HA SER 92 8.984 -6.035 8.151 183 HB2 SER 92 HB2 SER 92 11.346 -6.417 8.723 184 HB3 SER 92 HB3 SER 92 10.833 -7.485 7.419 185 HG SER 92 HG SER 92 11.905 -6.222 5.972 186 H GLU 93 H GLU 93 10.849 -3.794 6.138 187 HA GLU 93 HA GLU 93 11.471 -1.959 8.222 188 HB2 GLU 93 HB2 GLU 93 11.307 -1.635 5.220 189 HB3 GLU 93 HB3 GLU 93 11.893 -0.379 6.311 190 HG2 GLU 93 HG2 GLU 93 13.687 -1.797 7.090 191 HG3 GLU 93 HG3 GLU 93 13.046 -3.177 6.202 192 H GLN 94 H GLN 94 8.805 -2.205 5.905 193 HA GLN 94 HA GLN 94 7.589 0.275 6.607 194 HB2 GLN 94 HB2 GLN 94 6.536 -2.205 5.234 195 HB3 GLN 94 HB3 GLN 94 5.569 -0.751 5.468 196 HG2 GLN 94 HG2 GLN 94 8.258 -0.785 4.073 197 HG3 GLN 94 HG3 GLN 94 6.712 -0.853 3.229 198 HE21 GLN 94 HE21 GLN 94 5.132 1.032 4.024 199 HE22 GLN 94 HE22 GLN 94 5.856 2.560 4.167 200 H GLU 95 H GLU 95 7.206 -3.045 7.730 201 HA GLU 95 HA GLU 95 5.038 -2.316 9.539 202 HB2 GLU 95 HB2 GLU 95 6.525 -4.924 9.151 203 HB3 GLU 95 HB3 GLU 95 5.108 -4.699 10.176 204 HG2 GLU 95 HG2 GLU 95 5.139 -4.066 7.215 205 HG3 GLU 95 HG3 GLU 95 4.603 -5.612 7.871 206 H ALA 96 H ALA 96 8.401 -2.219 9.561 207 HA ALA 96 HA ALA 96 9.901 -1.670 11.212 208 HB1 ALA 96 HB1 ALA 96 7.766 -0.401 12.073 209 HB2 ALA 96 HB2 ALA 96 9.136 -0.632 13.157 210 HB3 ALA 96 HB3 ALA 96 7.722 -1.678 13.288 211 H ARG 97 H ARG 97 7.980 -4.391 11.143 212 HA ARG 97 HA ARG 97 9.156 -5.694 13.482 213 HB2 ARG 97 HB2 ARG 97 6.796 -6.125 12.897 214 HB3 ARG 97 HB3 ARG 97 7.310 -6.781 11.342 215 HG2 ARG 97 HG2 ARG 97 8.543 -8.564 12.439 216 HG3 ARG 97 HG3 ARG 97 8.219 -7.860 14.023 217 HD2 ARG 97 HD2 ARG 97 5.821 -8.237 13.731 218 HD3 ARG 97 HD3 ARG 97 6.097 -8.864 12.109 219 HE ARG 97 HE ARG 97 7.657 -10.404 13.828 220 HH11 ARG 97 HH21 ARG 97 4.325 -9.613 13.334 221 HH12 ARG 97 HH22 ARG 97 3.734 -11.130 13.922 222 HH21 ARG 97 HH11 ARG 97 6.889 -12.397 14.601 223 HH22 ARG 97 HH12 ARG 97 5.186 -12.708 14.640 224 H GLU 98 H GLU 98 11.089 -6.613 13.365 225 HA GLU 98 HA GLU 98 12.225 -7.297 10.749 226 HB2 GLU 98 HB2 GLU 98 13.522 -5.991 12.458 227 HB3 GLU 98 HB3 GLU 98 13.523 -7.431 13.477 228 HG2 GLU 98 HG2 GLU 98 14.508 -7.548 10.620 229 HG3 GLU 98 HG3 GLU 98 15.572 -7.042 11.928 230 H VAL 99 H VAL 99 11.801 -9.261 9.990 231 HA VAL 99 HA VAL 99 11.145 -11.468 11.762 232 HB VAL 99 HB VAL 99 11.580 -11.688 8.794 233 HG11 VAL 99 HG11 VAL 99 9.612 -13.006 10.686 234 HG12 VAL 99 HG12 VAL 99 11.142 -13.721 10.177 235 HG13 VAL 99 HG13 VAL 99 9.874 -13.417 8.990 236 HG21 VAL 99 HG21 VAL 99 9.254 -10.446 10.293 237 HG22 VAL 99 HG22 VAL 99 9.063 -11.123 8.676 238 HG23 VAL 99 HG23 VAL 99 10.156 -9.764 8.939 239 H ASN 100 H ASN 100 12.316 -13.415 11.919 240 HA ASN 100 HA ASN 100 15.174 -13.071 11.814 241 HB2 ASN 100 HB2 ASN 100 13.495 -15.515 12.435 242 HB3 ASN 100 HB3 ASN 100 15.226 -15.367 12.723 243 HD21 ASN 100 HD21 ASN 100 12.573 -15.453 14.513 244 HD22 ASN 100 HD22 ASN 100 12.898 -14.249 15.665 245 H SER 101 H SER 101 16.406 -13.462 10.130 246 HA SER 101 HA SER 101 15.465 -14.541 7.682 247 HB2 SER 101 HB2 SER 101 18.283 -14.011 8.642 248 HB3 SER 101 HB3 SER 101 17.855 -14.463 6.993 249 HG SER 101 HG SER 101 17.604 -12.069 8.289 250 H GLN 102 H GLN 102 16.685 -15.967 10.536 251 HA GLN 102 HA GLN 102 17.913 -18.275 9.523 252 HB2 GLN 102 HB2 GLN 102 17.890 -17.442 11.941 253 HB3 GLN 102 HB3 GLN 102 16.289 -18.166 12.067 254 HG2 GLN 102 HG2 GLN 102 18.720 -19.721 11.148 255 HG3 GLN 102 HG3 GLN 102 18.211 -19.648 12.833 256 HE21 GLN 102 HE21 GLN 102 15.298 -19.622 12.136 257 HE22 GLN 102 HE22 GLN 102 14.941 -21.199 11.623 258 H GLU 103 H GLU 103 14.509 -17.493 10.137 259 HA GLU 103 HA GLU 103 13.479 -20.111 9.836 260 HB2 GLU 103 HB2 GLU 103 12.279 -17.386 9.328 261 HB3 GLU 103 HB3 GLU 103 11.349 -18.882 9.221 262 HG2 GLU 103 HG2 GLU 103 11.878 -19.411 11.549 263 HG3 GLU 103 HG3 GLU 103 12.901 -17.980 11.665 264 H GLU 104 H GLU 104 14.077 -17.534 7.469 265 HA GLU 104 HA GLU 104 13.007 -18.950 5.238 266 HB2 GLU 104 HB2 GLU 104 14.920 -16.620 5.457 267 HB3 GLU 104 HB3 GLU 104 14.340 -17.252 3.917 268 HG2 GLU 104 HG2 GLU 104 12.843 -15.489 4.419 269 HG3 GLU 104 HG3 GLU 104 11.962 -16.939 4.890 270 H GLU 105 H GLU 105 16.245 -18.614 6.598 271 HA GLU 105 HA GLU 105 17.605 -20.020 4.546 272 HB2 GLU 105 HB2 GLU 105 18.296 -19.570 7.459 273 HB3 GLU 105 HB3 GLU 105 19.391 -20.303 6.286 274 HG2 GLU 105 HG2 GLU 105 18.130 -17.573 5.929 275 HG3 GLU 105 HG3 GLU 105 19.740 -17.827 6.595 276 H GLU 106 H GLU 106 16.029 -21.023 7.539 277 HA GLU 106 HA GLU 106 16.917 -23.687 7.604 278 HB2 GLU 106 HB2 GLU 106 15.738 -22.584 9.476 279 HB3 GLU 106 HB3 GLU 106 14.257 -22.562 8.521 280 HG2 GLU 106 HG2 GLU 106 14.236 -25.002 8.427 281 HG3 GLU 106 HG3 GLU 106 15.778 -25.075 9.277 282 H GLU 107 H GLU 107 14.117 -22.184 6.012 283 HA GLU 107 HA GLU 107 12.940 -24.557 5.049 284 HB2 GLU 107 HB2 GLU 107 11.822 -22.344 5.055 285 HB3 GLU 107 HB3 GLU 107 12.922 -21.806 3.785 286 HG2 GLU 107 HG2 GLU 107 12.092 -23.565 2.288 287 HG3 GLU 107 HG3 GLU 107 11.031 -24.166 3.561 288 H GLU 108 H GLU 108 15.343 -22.370 3.601 289 HA GLU 108 HA GLU 108 15.579 -23.805 1.147 290 HB2 GLU 108 HB2 GLU 108 17.239 -21.721 2.548 291 HB3 GLU 108 HB3 GLU 108 17.850 -22.506 1.092 292 HG2 GLU 108 HG2 GLU 108 16.663 -20.433 0.517 293 HG3 GLU 108 HG3 GLU 108 15.801 -21.832 -0.118 294 H LEU 109 H LEU 109 17.368 -23.898 4.195 295 HA LEU 109 HA LEU 109 19.370 -25.703 3.356 296 HB2 LEU 109 HB2 LEU 109 18.230 -25.034 6.067 297 HB3 LEU 109 HB3 LEU 109 19.569 -26.161 5.854 298 HG LEU 109 HG LEU 109 19.604 -23.347 4.725 299 HD11 LEU 109 HD11 LEU 109 21.094 -22.841 6.707 300 HD12 LEU 109 HD12 LEU 109 20.565 -24.367 7.411 301 HD13 LEU 109 HD13 LEU 109 19.394 -23.083 7.110 302 HD21 LEU 109 HD21 LEU 109 21.629 -25.570 5.046 303 HD22 LEU 109 HD22 LEU 109 22.171 -23.890 5.025 304 HD23 LEU 109 HD23 LEU 109 21.310 -24.551 3.642 305 H LEU 110 H LEU 110 16.183 -26.177 4.750 306 HA LEU 110 HA LEU 110 16.382 -28.939 5.199 307 HB2 LEU 110 HB2 LEU 110 14.587 -27.593 6.124 308 HB3 LEU 110 HB3 LEU 110 13.982 -27.241 4.505 309 HG LEU 110 HG LEU 110 14.297 -30.159 5.050 310 HD11 LEU 110 HD11 LEU 110 13.562 -29.467 7.273 311 HD12 LEU 110 HD12 LEU 110 12.253 -30.304 6.436 312 HD13 LEU 110 HD13 LEU 110 12.234 -28.545 6.572 313 HD21 LEU 110 HD21 LEU 110 11.960 -28.482 4.068 314 HD22 LEU 110 HD22 LEU 110 12.088 -30.236 3.966 315 HD23 LEU 110 HD23 LEU 110 13.181 -29.216 3.031 316 H ARG 111 H ARG 111 15.290 -27.100 2.361 317 HA ARG 111 HA ARG 111 14.536 -29.317 0.798 318 HB2 ARG 111 HB2 ARG 111 15.468 -26.535 0.091 319 HB3 ARG 111 HB3 ARG 111 14.942 -27.693 -1.130 320 HG2 ARG 111 HG2 ARG 111 13.173 -27.109 1.246 321 HG3 ARG 111 HG3 ARG 111 13.193 -26.003 -0.126 322 HD2 ARG 111 HD2 ARG 111 12.567 -28.973 -0.256 323 HD3 ARG 111 HD3 ARG 111 11.406 -27.659 -0.403 324 HE ARG 111 HE ARG 111 13.286 -27.148 -2.345 325 HH11 ARG 111 HH21 ARG 111 11.242 -29.785 -1.451 326 HH12 ARG 111 HH22 ARG 111 11.061 -30.376 -3.069 327 HH21 ARG 111 HH11 ARG 111 13.066 -27.917 -4.471 328 HH22 ARG 111 HH12 ARG 111 12.095 -29.317 -4.780 329 H LYS 112 H LYS 112 17.606 -27.639 1.156 330 HA LYS 112 HA LYS 112 18.977 -29.111 -0.854 331 HB2 LYS 112 HB2 LYS 112 20.003 -27.582 1.545 332 HB3 LYS 112 HB3 LYS 112 21.021 -28.216 0.253 333 HG2 LYS 112 HG2 LYS 112 18.711 -26.334 -0.271 334 HG3 LYS 112 HG3 LYS 112 20.346 -25.756 0.033 335 HD2 LYS 112 HD2 LYS 112 21.095 -27.269 -1.893 336 HD3 LYS 112 HD3 LYS 112 19.387 -27.482 -2.270 337 HE2 LYS 112 HE2 LYS 112 19.114 -25.066 -2.516 338 HE3 LYS 112 HE3 LYS 112 20.820 -24.829 -2.132 339 HZ1 LYS 112 HZ1 LYS 112 20.594 -24.847 -4.485 340 HZ2 LYS 112 HZ2 LYS 112 19.686 -26.284 -4.457 341 HZ3 LYS 112 HZ3 LYS 112 21.335 -26.306 -4.041 342 H ALA 113 H ALA 113 18.467 -29.586 2.587 343 HA ALA 113 HA ALA 113 20.359 -31.619 3.008 344 HB1 ALA 113 HB1 ALA 113 18.820 -32.285 4.901 345 HB2 ALA 113 HB2 ALA 113 17.699 -31.049 4.327 346 HB3 ALA 113 HB3 ALA 113 19.303 -30.588 4.897 347 H ILE 114 H ILE 114 16.994 -31.752 1.909 348 HA ILE 114 HA ILE 114 16.852 -34.602 1.811 349 HB ILE 114 HB ILE 114 15.215 -32.529 0.327 350 HG12 ILE 114 HG12 ILE 114 15.105 -32.258 2.762 351 HG13 ILE 114 HG13 ILE 114 13.584 -32.907 2.157 352 HG21 ILE 114 HG21 ILE 114 14.906 -34.653 -0.747 353 HG22 ILE 114 HG22 ILE 114 13.527 -34.438 0.334 354 HG23 ILE 114 HG23 ILE 114 14.859 -35.493 0.802 355 HD11 ILE 114 HD11 ILE 114 15.693 -34.228 3.824 356 HD12 ILE 114 HD12 ILE 114 14.777 -35.248 2.718 357 HD13 ILE 114 HD13 ILE 114 13.941 -34.321 3.966 358 H ALA 115 H ALA 115 17.672 -32.099 -0.538 359 HA ALA 115 HA ALA 115 17.791 -33.736 -2.820 360 HB1 ALA 115 HB1 ALA 115 17.838 -31.276 -2.916 361 HB2 ALA 115 HB2 ALA 115 19.219 -31.970 -3.767 362 HB3 ALA 115 HB3 ALA 115 19.429 -31.276 -2.159 363 H GLU 116 H GLU 116 20.237 -32.942 -0.375 364 HA GLU 116 HA GLU 116 22.395 -34.267 -1.636 365 HB2 GLU 116 HB2 GLU 116 22.646 -32.629 0.214 366 HB3 GLU 116 HB3 GLU 116 21.954 -33.811 1.326 367 HG2 GLU 116 HG2 GLU 116 24.351 -34.500 -0.382 368 HG3 GLU 116 HG3 GLU 116 24.543 -33.667 1.160 369 H SER 117 H SER 117 19.988 -35.339 0.740 370 HA SER 117 HA SER 117 21.062 -37.898 1.223 371 HB2 SER 117 HB2 SER 117 19.325 -36.897 2.640 372 HB3 SER 117 HB3 SER 117 18.176 -36.986 1.309 373 HG SER 117 HG SER 117 19.351 -39.367 1.660 374 H LEU 118 H LEU 118 18.757 -36.728 -1.191 375 HA LEU 118 HA LEU 118 18.189 -39.274 -2.325 376 HB2 LEU 118 HB2 LEU 118 17.936 -36.468 -3.419 377 HB3 LEU 118 HB3 LEU 118 17.358 -37.903 -4.268 378 HG LEU 118 HG LEU 118 16.515 -37.180 -1.445 379 HD11 LEU 118 HD11 LEU 118 14.384 -36.420 -2.505 380 HD12 LEU 118 HD12 LEU 118 15.144 -36.598 -4.086 381 HD13 LEU 118 HD13 LEU 118 15.764 -35.411 -2.938 382 HD21 LEU 118 HD21 LEU 118 14.522 -38.707 -2.269 383 HD22 LEU 118 HD22 LEU 118 16.014 -39.465 -1.725 384 HD23 LEU 118 HD23 LEU 118 15.696 -39.290 -3.451 385 H ASN 119 H ASN 119 20.617 -36.816 -2.959 386 HA ASN 119 HA ASN 119 21.588 -38.032 -5.365 387 HB2 ASN 119 HB2 ASN 119 22.733 -35.963 -3.484 388 HB3 ASN 119 HB3 ASN 119 23.565 -36.496 -4.945 389 HD21 ASN 119 HD21 ASN 119 22.671 -33.781 -4.619 390 HD22 ASN 119 HD22 ASN 119 21.439 -33.497 -5.751 391 H SER 120 H SER 120 21.994 -38.663 -2.024 392 HA SER 120 HA SER 120 24.598 -39.863 -2.163 393 HB2 SER 120 HB2 SER 120 23.766 -39.022 -0.039 394 HB3 SER 120 HB3 SER 120 22.387 -40.114 -0.112 395 HG SER 120 HG SER 120 25.072 -41.008 -0.207 396 H CYS 121 H CYS 121 25.155 -41.980 -2.452 397 HA CYS 121 HA CYS 121 23.274 -43.668 -3.827 398 HB2 CYS 121 HB2 CYS 121 25.667 -43.622 -4.425 399 HB3 CYS 121 HB3 CYS 121 26.066 -44.277 -2.836 400 HG CYS 121 HG CYS 121 25.184 -46.535 -3.506 401 H ARG 122 H ARG 122 22.229 -45.461 -3.116 402 HA ARG 122 HA ARG 122 21.819 -45.689 -0.307 403 HB2 ARG 122 HB2 ARG 122 20.929 -47.572 -2.502 404 HB3 ARG 122 HB3 ARG 122 20.259 -47.463 -0.873 405 HG2 ARG 122 HG2 ARG 122 20.232 -45.244 -2.932 406 HG3 ARG 122 HG3 ARG 122 18.850 -46.249 -2.502 407 HD2 ARG 122 HD2 ARG 122 20.269 -44.199 -0.786 408 HD3 ARG 122 HD3 ARG 122 18.576 -44.261 -1.245 409 HE ARG 122 HE ARG 122 19.016 -46.599 0.159 410 HH11 ARG 122 HH21 ARG 122 19.354 -43.203 0.695 411 HH12 ARG 122 HH22 ARG 122 19.040 -43.299 2.395 412 HH21 ARG 122 HH11 ARG 122 18.608 -46.741 2.386 413 HH22 ARG 122 HH12 ARG 122 18.615 -45.304 3.354 414 HA PRO 123 HA PRO 123 24.949 -48.679 0.636 415 HB2 PRO 123 HB2 PRO 123 23.874 -49.822 2.882 416 HB3 PRO 123 HB3 PRO 123 24.522 -48.167 2.865 417 HG2 PRO 123 HG2 PRO 123 21.682 -49.081 2.633 418 HG3 PRO 123 HG3 PRO 123 22.359 -47.772 3.616 419 HD2 PRO 123 HD2 PRO 123 21.129 -47.296 1.252 420 HD3 PRO 123 HD3 PRO 123 22.492 -46.309 1.819 421 H SER 124 H SER 124 25.431 -50.880 0.398 422 HA SER 124 HA SER 124 23.584 -52.419 -1.162 423 HB2 SER 124 HB2 SER 124 25.334 -54.094 -1.209 424 HB3 SER 124 HB3 SER 124 26.063 -52.508 -1.442 425 HG SER 124 HG SER 124 25.863 -53.895 1.034 426 H ASP 125 H ASP 125 22.768 -54.525 -0.615 427 HA ASP 125 HA ASP 125 21.750 -54.640 2.095 428 HB2 ASP 125 HB2 ASP 125 20.416 -55.217 0.028 429 HB3 ASP 125 HB3 ASP 125 21.405 -56.670 -0.107 430 H ALA 126 H ALA 126 21.956 -56.502 3.470 431 HA ALA 126 HA ALA 126 24.605 -57.381 3.837 432 HB1 ALA 126 HB1 ALA 126 23.554 -59.053 5.413 433 HB2 ALA 126 HB2 ALA 126 21.980 -58.447 4.894 434 HB3 ALA 126 HB3 ALA 126 23.112 -57.372 5.715 435 H SER 127 H SER 127 21.866 -58.795 2.148 436 HA SER 127 HA SER 127 23.200 -61.318 1.664 437 HB2 SER 127 HB2 SER 127 21.232 -61.905 0.405 438 HB3 SER 127 HB3 SER 127 20.715 -61.092 1.880 439 HG SER 127 HG SER 127 20.367 -60.382 -0.712 440 H ALA 128 H ALA 128 23.750 -58.328 0.495 441 HA ALA 128 HA ALA 128 25.127 -57.663 -1.238 442 HB1 ALA 128 HB1 ALA 128 26.255 -59.222 -2.529 443 HB2 ALA 128 HB2 ALA 128 24.835 -60.252 -2.726 444 HB3 ALA 128 HB3 ALA 128 25.731 -60.265 -1.209 445 H THR 129 H THR 129 22.041 -58.002 -1.138 446 HA THR 129 HA THR 129 21.306 -57.998 -3.940 447 HB THR 129 HB THR 129 19.662 -57.318 -1.488 448 HG1 THR 129 HG1 THR 129 20.588 -59.510 -1.784 449 HG21 THR 129 HG21 THR 129 17.781 -57.890 -3.099 450 HG22 THR 129 HG22 THR 129 18.978 -57.793 -4.392 451 HG23 THR 129 HG23 THR 129 18.617 -56.370 -3.415 452 H ARG 130 H ARG 130 21.095 -56.269 -5.229 453 HA ARG 130 HA ARG 130 22.051 -53.714 -4.348 454 HB2 ARG 130 HB2 ARG 130 20.758 -54.597 -6.940 455 HB3 ARG 130 HB3 ARG 130 21.462 -53.004 -6.669 456 HG2 ARG 130 HG2 ARG 130 23.639 -54.058 -6.149 457 HG3 ARG 130 HG3 ARG 130 22.935 -55.646 -6.456 458 HD2 ARG 130 HD2 ARG 130 22.419 -54.967 -8.772 459 HD3 ARG 130 HD3 ARG 130 23.138 -53.388 -8.468 460 HE ARG 130 HE ARG 130 25.005 -55.438 -7.851 461 HH11 ARG 130 HH21 ARG 130 23.410 -53.857 -10.482 462 HH12 ARG 130 HH22 ARG 130 24.691 -54.144 -11.612 463 HH21 ARG 130 HH11 ARG 130 26.688 -55.820 -9.327 464 HH22 ARG 130 HH12 ARG 130 26.548 -55.254 -10.958 465 H SER 131 H SER 131 20.927 -51.845 -3.954 466 HA SER 131 HA SER 131 19.162 -50.640 -3.077 467 HB2 SER 131 HB2 SER 131 18.824 -50.292 -5.471 468 HB3 SER 131 HB3 SER 131 17.895 -51.783 -5.577 469 HG SER 131 HG SER 131 16.447 -50.124 -5.343 Start of MODEL 13 1 H1 GLY -4 H1 GLY -4 11.591 -23.792 16.892 2 H2 GLY -4 H2 GLY -4 10.426 -24.300 15.766 3 H3 GLY -4 H3 GLY -4 11.900 -23.646 15.231 4 HA2 GLY -4 HA2 GLY -4 12.962 -25.582 15.375 5 HA3 GLY -4 HA3 GLY -4 12.268 -25.897 16.968 6 HA PRO -3 HA PRO -3 9.446 -28.853 15.372 7 HB2 PRO -3 HB2 PRO -3 7.010 -28.074 16.473 8 HB3 PRO -3 HB3 PRO -3 8.286 -28.925 17.368 9 HG2 PRO -3 HG2 PRO -3 7.661 -26.005 17.296 10 HG3 PRO -3 HG3 PRO -3 8.103 -27.025 18.675 11 HD2 PRO -3 HD2 PRO -3 9.912 -25.398 17.508 12 HD3 PRO -3 HD3 PRO -3 10.380 -26.990 18.140 13 H LEU -2 H LEU -2 9.015 -25.557 14.636 14 HA LEU -2 HA LEU -2 6.723 -25.642 13.004 15 HB2 LEU -2 HB2 LEU -2 9.125 -23.829 13.106 16 HB3 LEU -2 HB3 LEU -2 7.866 -23.601 11.892 17 HG LEU -2 HG LEU -2 7.524 -22.226 13.963 18 HD11 LEU -2 HD11 LEU -2 5.229 -22.416 13.838 19 HD12 LEU -2 HD12 LEU -2 5.245 -24.173 13.989 20 HD13 LEU -2 HD13 LEU -2 5.628 -23.417 12.441 21 HD21 LEU -2 HD21 LEU -2 7.048 -23.241 16.063 22 HD22 LEU -2 HD22 LEU -2 8.462 -24.107 15.457 23 HD23 LEU -2 HD23 LEU -2 6.863 -24.837 15.338 24 H GLY -1 H GLY -1 10.118 -26.260 12.333 25 HA2 GLY -1 HA2 GLY -1 10.939 -27.709 10.678 26 HA3 GLY -1 HA3 GLY -1 9.358 -27.700 9.901 27 H SER 0 H SER 0 12.474 -26.246 10.052 28 HA SER 0 HA SER 0 11.913 -23.871 8.590 29 HB2 SER 0 HB2 SER 0 14.475 -25.424 8.983 30 HB3 SER 0 HB3 SER 0 14.386 -23.864 8.169 31 HG SER 0 HG SER 0 13.065 -23.929 10.563 32 H ARG 74 H ARG 74 12.428 -27.183 7.696 33 HA ARG 74 HA ARG 74 13.206 -26.816 5.000 34 HB2 ARG 74 HB2 ARG 74 12.644 -29.136 4.698 35 HB3 ARG 74 HB3 ARG 74 13.357 -28.963 6.303 36 HG2 ARG 74 HG2 ARG 74 10.996 -28.755 7.213 37 HG3 ARG 74 HG3 ARG 74 10.418 -29.225 5.616 38 HD2 ARG 74 HD2 ARG 74 11.776 -31.304 5.773 39 HD3 ARG 74 HD3 ARG 74 12.245 -30.844 7.408 40 HE ARG 74 HE ARG 74 9.411 -30.843 7.161 41 HH11 ARG 74 HH21 ARG 74 12.178 -32.911 7.344 42 HH12 ARG 74 HH22 ARG 74 11.316 -34.233 8.057 43 HH21 ARG 74 HH11 ARG 74 8.271 -32.573 8.092 44 HH22 ARG 74 HH12 ARG 74 9.103 -34.041 8.481 45 H LYS 75 H LYS 75 10.212 -26.382 6.614 46 HA LYS 75 HA LYS 75 8.588 -26.689 4.228 47 HB2 LYS 75 HB2 LYS 75 7.919 -25.766 7.028 48 HB3 LYS 75 HB3 LYS 75 6.748 -25.949 5.724 49 HG2 LYS 75 HG2 LYS 75 7.158 -28.313 5.570 50 HG3 LYS 75 HG3 LYS 75 8.550 -28.201 6.646 51 HD2 LYS 75 HD2 LYS 75 6.707 -29.056 7.947 52 HD3 LYS 75 HD3 LYS 75 6.978 -27.388 8.452 53 HE2 LYS 75 HE2 LYS 75 5.113 -26.602 7.156 54 HE3 LYS 75 HE3 LYS 75 4.940 -28.160 6.347 55 HZ1 LYS 75 HZ1 LYS 75 4.313 -29.161 8.412 56 HZ2 LYS 75 HZ2 LYS 75 3.329 -27.802 8.146 57 HZ3 LYS 75 HZ3 LYS 75 4.609 -27.722 9.261 58 H ILE 76 H ILE 76 10.682 -24.432 5.144 59 HA ILE 76 HA ILE 76 9.090 -22.052 4.618 60 HB ILE 76 HB ILE 76 12.075 -22.404 5.003 61 HG12 ILE 76 HG12 ILE 76 9.985 -21.280 6.890 62 HG13 ILE 76 HG13 ILE 76 10.556 -22.949 6.956 63 HG21 ILE 76 HG21 ILE 76 11.683 -20.385 3.750 64 HG22 ILE 76 HG22 ILE 76 11.944 -19.906 5.427 65 HG23 ILE 76 HG23 ILE 76 10.309 -19.953 4.766 66 HD11 ILE 76 HD11 ILE 76 12.328 -20.497 7.182 67 HD12 ILE 76 HD12 ILE 76 12.858 -22.175 7.317 68 HD13 ILE 76 HD13 ILE 76 11.793 -21.483 8.541 69 H ALA 77 H ALA 77 8.684 -21.291 2.659 70 HA ALA 77 HA ALA 77 9.764 -22.475 0.300 71 HB1 ALA 77 HB1 ALA 77 7.480 -21.378 0.553 72 HB2 ALA 77 HB2 ALA 77 8.384 -20.954 -0.902 73 HB3 ALA 77 HB3 ALA 77 8.320 -19.829 0.456 74 H GLN 78 H GLN 78 11.198 -21.621 -1.213 75 HA GLN 78 HA GLN 78 13.203 -19.818 -0.115 76 HB2 GLN 78 HB2 GLN 78 13.063 -21.239 -2.786 77 HB3 GLN 78 HB3 GLN 78 14.457 -20.359 -2.160 78 HG2 GLN 78 HG2 GLN 78 15.001 -22.529 -1.501 79 HG3 GLN 78 HG3 GLN 78 14.148 -21.964 -0.066 80 HE21 GLN 78 HE21 GLN 78 14.263 -24.738 -0.660 81 HE22 GLN 78 HE22 GLN 78 12.711 -25.268 -1.096 82 H MET 79 H MET 79 13.022 -17.698 -0.318 83 HA MET 79 HA MET 79 11.232 -16.505 -2.247 84 HB2 MET 79 HB2 MET 79 13.122 -15.294 -0.218 85 HB3 MET 79 HB3 MET 79 12.012 -14.366 -1.227 86 HG2 MET 79 HG2 MET 79 10.100 -15.582 -0.280 87 HG3 MET 79 HG3 MET 79 11.193 -16.555 0.706 88 HE1 MET 79 HE1 MET 79 8.698 -14.639 1.858 89 HE2 MET 79 HE2 MET 79 9.544 -14.420 3.388 90 HE3 MET 79 HE3 MET 79 9.651 -15.962 2.541 91 H THR 80 H THR 80 11.764 -15.313 -4.030 92 HA THR 80 HA THR 80 14.337 -15.849 -5.238 93 HB THR 80 HB THR 80 13.429 -14.701 -7.186 94 HG1 THR 80 HG1 THR 80 11.531 -13.619 -7.064 95 HG21 THR 80 HG21 THR 80 11.510 -16.159 -7.597 96 HG22 THR 80 HG22 THR 80 11.344 -16.460 -5.867 97 HG23 THR 80 HG23 THR 80 12.762 -17.051 -6.732 98 H GLU 82 H GLU 82 15.487 -13.976 -6.361 99 HA GLU 82 HA GLU 82 16.542 -12.233 -4.456 100 HB2 GLU 82 HB2 GLU 82 17.686 -12.794 -6.565 101 HB3 GLU 82 HB3 GLU 82 16.465 -11.898 -7.467 102 HG2 GLU 82 HG2 GLU 82 17.108 -9.821 -6.402 103 HG3 GLU 82 HG3 GLU 82 18.211 -10.667 -5.318 104 H GLU 83 H GLU 83 14.027 -11.665 -6.911 105 HA GLU 83 HA GLU 83 13.630 -8.922 -6.307 106 HB2 GLU 83 HB2 GLU 83 12.843 -9.960 -8.396 107 HB3 GLU 83 HB3 GLU 83 11.689 -10.928 -7.479 108 HG2 GLU 83 HG2 GLU 83 10.551 -8.913 -6.706 109 HG3 GLU 83 HG3 GLU 83 11.755 -7.897 -7.495 110 H GLN 84 H GLN 84 12.024 -11.878 -5.182 111 HA GLN 84 HA GLN 84 10.119 -10.585 -3.526 112 HB2 GLN 84 HB2 GLN 84 11.202 -13.387 -3.690 113 HB3 GLN 84 HB3 GLN 84 10.129 -12.927 -2.369 114 HG2 GLN 84 HG2 GLN 84 8.951 -13.904 -4.380 115 HG3 GLN 84 HG3 GLN 84 8.380 -12.308 -3.903 116 HE21 GLN 84 HE21 GLN 84 9.463 -14.112 -6.562 117 HE22 GLN 84 HE22 GLN 84 9.828 -12.820 -7.601 118 H PHE 85 H PHE 85 13.409 -11.673 -3.010 119 HA PHE 85 HA PHE 85 13.492 -11.501 -0.215 120 HB2 PHE 85 HB2 PHE 85 15.288 -12.547 -1.483 121 HB3 PHE 85 HB3 PHE 85 15.674 -11.010 -2.256 122 HD1 PHE 85 HD1 PHE 85 15.424 -12.662 1.087 123 HD2 PHE 85 HD2 PHE 85 17.166 -9.495 -1.230 124 HE1 PHE 85 HE1 PHE 85 16.895 -12.076 2.995 125 HE2 PHE 85 HE2 PHE 85 18.638 -8.909 0.677 126 HZ PHE 85 HZ PHE 85 18.502 -10.199 2.790 127 H ALA 86 H ALA 86 14.248 -9.056 -2.697 128 HA ALA 86 HA ALA 86 14.941 -6.981 -0.921 129 HB1 ALA 86 HB1 ALA 86 14.535 -5.484 -2.825 130 HB2 ALA 86 HB2 ALA 86 13.698 -6.783 -3.674 131 HB3 ALA 86 HB3 ALA 86 15.423 -6.919 -3.339 132 H LEU 87 H LEU 87 11.842 -7.961 -2.314 133 HA LEU 87 HA LEU 87 10.306 -5.806 -1.303 134 HB2 LEU 87 HB2 LEU 87 9.535 -8.625 -2.084 135 HB3 LEU 87 HB3 LEU 87 8.368 -7.369 -1.664 136 HG LEU 87 HG LEU 87 10.449 -7.075 -3.848 137 HD11 LEU 87 HD11 LEU 87 8.731 -8.883 -4.272 138 HD12 LEU 87 HD12 LEU 87 8.726 -7.572 -5.449 139 HD13 LEU 87 HD13 LEU 87 7.495 -7.630 -4.191 140 HD21 LEU 87 HD21 LEU 87 8.239 -5.343 -2.769 141 HD22 LEU 87 HD22 LEU 87 8.565 -5.287 -4.505 142 HD23 LEU 87 HD23 LEU 87 9.838 -4.886 -3.356 143 H ALA 88 H ALA 88 11.184 -8.952 0.019 144 HA ALA 88 HA ALA 88 9.485 -8.950 2.256 145 HB1 ALA 88 HB1 ALA 88 11.069 -10.568 3.218 146 HB2 ALA 88 HB2 ALA 88 12.254 -10.146 1.982 147 HB3 ALA 88 HB3 ALA 88 10.744 -10.933 1.522 148 H LEU 89 H LEU 89 12.714 -7.587 1.767 149 HA LEU 89 HA LEU 89 13.153 -6.777 4.443 150 HB2 LEU 89 HB2 LEU 89 14.225 -5.762 1.811 151 HB3 LEU 89 HB3 LEU 89 14.772 -5.142 3.370 152 HG LEU 89 HG LEU 89 14.825 -8.078 2.616 153 HD11 LEU 89 HD11 LEU 89 16.375 -7.097 1.125 154 HD12 LEU 89 HD12 LEU 89 17.364 -7.603 2.493 155 HD13 LEU 89 HD13 LEU 89 16.905 -5.910 2.317 156 HD21 LEU 89 HD21 LEU 89 16.675 -7.858 4.548 157 HD22 LEU 89 HD22 LEU 89 14.972 -8.082 4.937 158 HD23 LEU 89 HD23 LEU 89 15.682 -6.471 5.011 159 H LYS 90 H LYS 90 11.689 -5.131 1.669 160 HA LYS 90 HA LYS 90 11.338 -2.620 2.924 161 HB2 LYS 90 HB2 LYS 90 9.869 -3.990 0.674 162 HB3 LYS 90 HB3 LYS 90 9.548 -2.330 1.176 163 HG2 LYS 90 HG2 LYS 90 11.802 -1.650 0.660 164 HG3 LYS 90 HG3 LYS 90 12.311 -3.318 0.412 165 HD2 LYS 90 HD2 LYS 90 12.009 -2.512 -1.784 166 HD3 LYS 90 HD3 LYS 90 10.499 -3.364 -1.459 167 HE2 LYS 90 HE2 LYS 90 9.975 -1.213 -2.457 168 HE3 LYS 90 HE3 LYS 90 9.490 -1.165 -0.763 169 HZ1 LYS 90 HZ1 LYS 90 12.185 -0.290 -1.557 170 HZ2 LYS 90 HZ2 LYS 90 11.270 0.155 -0.196 171 HZ3 LYS 90 HZ3 LYS 90 10.869 0.764 -1.730 172 H MET 91 H MET 91 9.255 -5.480 2.687 173 HA MET 91 HA MET 91 7.026 -4.332 4.032 174 HB2 MET 91 HB2 MET 91 7.855 -7.197 3.561 175 HB3 MET 91 HB3 MET 91 6.348 -6.748 4.358 176 HG2 MET 91 HG2 MET 91 5.811 -5.330 2.325 177 HG3 MET 91 HG3 MET 91 7.209 -6.062 1.535 178 HE1 MET 91 HE1 MET 91 7.597 -8.298 1.033 179 HE2 MET 91 HE2 MET 91 6.448 -9.631 0.963 180 HE3 MET 91 HE3 MET 91 7.164 -9.176 2.506 181 H SER 92 H SER 92 9.852 -6.144 5.098 182 HA SER 92 HA SER 92 9.058 -6.590 7.760 183 HB2 SER 92 HB2 SER 92 11.785 -6.272 6.504 184 HB3 SER 92 HB3 SER 92 11.545 -6.720 8.189 185 HG SER 92 HG SER 92 11.702 -8.593 6.984 186 H GLU 93 H GLU 93 10.741 -3.871 6.228 187 HA GLU 93 HA GLU 93 11.289 -2.433 8.603 188 HB2 GLU 93 HB2 GLU 93 10.934 -1.540 5.736 189 HB3 GLU 93 HB3 GLU 93 11.446 -0.460 7.033 190 HG2 GLU 93 HG2 GLU 93 12.866 -3.045 6.344 191 HG3 GLU 93 HG3 GLU 93 13.348 -1.470 5.716 192 H GLN 94 H GLN 94 8.518 -2.467 6.404 193 HA GLN 94 HA GLN 94 7.131 -0.285 7.553 194 HB2 GLN 94 HB2 GLN 94 6.173 -2.700 6.010 195 HB3 GLN 94 HB3 GLN 94 5.113 -1.374 6.493 196 HG2 GLN 94 HG2 GLN 94 6.434 0.220 5.233 197 HG3 GLN 94 HG3 GLN 94 7.642 -1.010 4.867 198 HE21 GLN 94 HE21 GLN 94 7.102 -0.442 2.528 199 HE22 GLN 94 HE22 GLN 94 5.757 -1.193 1.815 200 H GLU 95 H GLU 95 7.192 -3.737 8.288 201 HA GLU 95 HA GLU 95 5.152 -3.477 10.348 202 HB2 GLU 95 HB2 GLU 95 6.890 -5.812 9.519 203 HB3 GLU 95 HB3 GLU 95 5.601 -5.889 10.720 204 HG2 GLU 95 HG2 GLU 95 3.967 -5.164 9.024 205 HG3 GLU 95 HG3 GLU 95 5.252 -5.078 7.820 206 H ALA 96 H ALA 96 8.469 -2.945 10.114 207 HA ALA 96 HA ALA 96 10.041 -2.380 11.693 208 HB1 ALA 96 HB1 ALA 96 7.870 -1.468 12.843 209 HB2 ALA 96 HB2 ALA 96 9.342 -1.648 13.793 210 HB3 ALA 96 HB3 ALA 96 8.065 -2.860 13.908 211 H ARG 97 H ARG 97 9.019 -5.257 11.024 212 HA ARG 97 HA ARG 97 10.853 -6.586 12.896 213 HB2 ARG 97 HB2 ARG 97 8.012 -7.518 12.412 214 HB3 ARG 97 HB3 ARG 97 9.236 -8.376 13.349 215 HG2 ARG 97 HG2 ARG 97 9.420 -6.244 14.769 216 HG3 ARG 97 HG3 ARG 97 7.930 -5.723 13.981 217 HD2 ARG 97 HD2 ARG 97 8.298 -8.280 15.566 218 HD3 ARG 97 HD3 ARG 97 7.424 -6.848 16.104 219 HE ARG 97 HE ARG 97 6.487 -8.836 14.211 220 HH11 ARG 97 HH21 ARG 97 6.232 -5.603 15.411 221 HH12 ARG 97 HH22 ARG 97 4.599 -5.387 14.875 222 HH21 ARG 97 HH11 ARG 97 4.349 -8.563 13.507 223 HH22 ARG 97 HH12 ARG 97 3.532 -7.064 13.796 224 H GLU 98 H GLU 98 11.653 -8.587 12.122 225 HA GLU 98 HA GLU 98 11.760 -8.739 9.222 226 HB2 GLU 98 HB2 GLU 98 13.124 -10.301 11.414 227 HB3 GLU 98 HB3 GLU 98 13.364 -10.617 9.695 228 HG2 GLU 98 HG2 GLU 98 14.133 -8.308 9.359 229 HG3 GLU 98 HG3 GLU 98 13.859 -7.959 11.065 230 H VAL 99 H VAL 99 9.297 -9.208 9.391 231 HA VAL 99 HA VAL 99 8.694 -12.008 9.984 232 HB VAL 99 HB VAL 99 6.706 -10.194 8.680 233 HG11 VAL 99 HG11 VAL 99 6.591 -12.153 10.994 234 HG12 VAL 99 HG12 VAL 99 6.088 -12.475 9.336 235 HG13 VAL 99 HG13 VAL 99 5.206 -11.299 10.309 236 HG21 VAL 99 HG21 VAL 99 7.772 -9.884 11.511 237 HG22 VAL 99 HG22 VAL 99 6.222 -9.226 10.991 238 HG23 VAL 99 HG23 VAL 99 7.717 -8.648 10.256 239 H ASN 100 H ASN 100 8.178 -13.539 8.488 240 HA ASN 100 HA ASN 100 9.152 -13.139 5.799 241 HB2 ASN 100 HB2 ASN 100 7.764 -15.521 7.040 242 HB3 ASN 100 HB3 ASN 100 8.577 -15.507 5.478 243 HD21 ASN 100 HD21 ASN 100 10.964 -14.349 5.842 244 HD22 ASN 100 HD22 ASN 100 11.854 -15.075 7.092 245 H SER 101 H SER 101 7.975 -12.936 3.977 246 HA SER 101 HA SER 101 5.509 -11.714 3.928 247 HB2 SER 101 HB2 SER 101 6.972 -11.830 1.948 248 HB3 SER 101 HB3 SER 101 6.657 -13.555 1.813 249 HG SER 101 HG SER 101 4.811 -11.416 1.561 250 H GLN 102 H GLN 102 6.214 -15.200 3.718 251 HA GLN 102 HA GLN 102 3.483 -15.991 3.393 252 HB2 GLN 102 HB2 GLN 102 5.951 -17.471 4.307 253 HB3 GLN 102 HB3 GLN 102 4.379 -18.244 4.101 254 HG2 GLN 102 HG2 GLN 102 5.598 -18.560 2.049 255 HG3 GLN 102 HG3 GLN 102 4.355 -17.352 1.731 256 HE21 GLN 102 HE21 GLN 102 5.308 -15.877 0.298 257 HE22 GLN 102 HE22 GLN 102 6.831 -15.168 0.527 258 H GLU 103 H GLU 103 5.629 -15.641 6.180 259 HA GLU 103 HA GLU 103 3.905 -16.740 8.124 260 HB2 GLU 103 HB2 GLU 103 6.285 -16.374 8.539 261 HB3 GLU 103 HB3 GLU 103 6.042 -14.629 8.480 262 HG2 GLU 103 HG2 GLU 103 4.522 -14.766 10.410 263 HG3 GLU 103 HG3 GLU 103 4.702 -16.521 10.435 264 H GLU 104 H GLU 104 4.017 -13.615 6.603 265 HA GLU 104 HA GLU 104 2.602 -12.100 8.486 266 HB2 GLU 104 HB2 GLU 104 2.764 -11.927 5.476 267 HB3 GLU 104 HB3 GLU 104 1.896 -10.740 6.449 268 HG2 GLU 104 HG2 GLU 104 3.900 -10.129 7.626 269 HG3 GLU 104 HG3 GLU 104 4.794 -11.465 6.917 270 H GLU 105 H GLU 105 1.467 -14.301 5.948 271 HA GLU 105 HA GLU 105 -1.283 -13.649 6.124 272 HB2 GLU 105 HB2 GLU 105 0.181 -16.152 5.295 273 HB3 GLU 105 HB3 GLU 105 -1.573 -16.009 5.207 274 HG2 GLU 105 HG2 GLU 105 -0.765 -15.391 3.048 275 HG3 GLU 105 HG3 GLU 105 -1.192 -13.876 3.841 276 H GLU 106 H GLU 106 0.672 -16.096 7.798 277 HA GLU 106 HA GLU 106 -1.519 -17.104 9.346 278 HB2 GLU 106 HB2 GLU 106 1.479 -17.388 9.619 279 HB3 GLU 106 HB3 GLU 106 0.324 -18.182 10.691 280 HG2 GLU 106 HG2 GLU 106 -0.673 -19.385 8.853 281 HG3 GLU 106 HG3 GLU 106 0.265 -18.465 7.677 282 H GLU 107 H GLU 107 0.881 -14.598 9.760 283 HA GLU 107 HA GLU 107 0.662 -14.191 12.523 284 HB2 GLU 107 HB2 GLU 107 2.398 -13.166 11.019 285 HB3 GLU 107 HB3 GLU 107 1.159 -12.058 10.431 286 HG2 GLU 107 HG2 GLU 107 2.384 -10.939 12.194 287 HG3 GLU 107 HG3 GLU 107 0.778 -11.329 12.813 288 H GLU 108 H GLU 108 -1.278 -13.012 9.823 289 HA GLU 108 HA GLU 108 -2.773 -11.081 11.211 290 HB2 GLU 108 HB2 GLU 108 -2.759 -11.338 8.739 291 HB3 GLU 108 HB3 GLU 108 -3.673 -12.835 8.910 292 HG2 GLU 108 HG2 GLU 108 -5.215 -11.016 8.405 293 HG3 GLU 108 HG3 GLU 108 -5.486 -11.549 10.064 294 H LEU 109 H LEU 109 -3.340 -14.557 10.717 295 HA LEU 109 HA LEU 109 -5.852 -14.644 12.032 296 HB2 LEU 109 HB2 LEU 109 -3.769 -16.703 11.334 297 HB3 LEU 109 HB3 LEU 109 -5.166 -17.149 12.313 298 HG LEU 109 HG LEU 109 -6.683 -16.369 10.565 299 HD11 LEU 109 HD11 LEU 109 -5.533 -14.515 9.620 300 HD12 LEU 109 HD12 LEU 109 -5.599 -15.716 8.329 301 HD13 LEU 109 HD13 LEU 109 -4.112 -15.489 9.250 302 HD21 LEU 109 HD21 LEU 109 -4.523 -18.024 9.239 303 HD22 LEU 109 HD22 LEU 109 -6.262 -18.082 8.948 304 HD23 LEU 109 HD23 LEU 109 -5.602 -18.682 10.470 305 H LEU 110 H LEU 110 -2.529 -15.058 13.161 306 HA LEU 110 HA LEU 110 -3.152 -15.887 15.788 307 HB2 LEU 110 HB2 LEU 110 -0.745 -14.475 14.632 308 HB3 LEU 110 HB3 LEU 110 -0.825 -15.037 16.305 309 HG LEU 110 HG LEU 110 -1.283 -16.825 13.899 310 HD11 LEU 110 HD11 LEU 110 1.022 -17.724 14.570 311 HD12 LEU 110 HD12 LEU 110 1.212 -16.236 15.496 312 HD13 LEU 110 HD13 LEU 110 0.995 -16.164 13.747 313 HD21 LEU 110 HD21 LEU 110 -0.582 -18.524 15.853 314 HD22 LEU 110 HD22 LEU 110 -2.249 -17.992 15.667 315 HD23 LEU 110 HD23 LEU 110 -1.220 -17.235 16.881 316 H ARG 111 H ARG 111 -2.666 -12.692 14.361 317 HA ARG 111 HA ARG 111 -2.774 -11.204 16.753 318 HB2 ARG 111 HB2 ARG 111 -3.452 -10.515 13.895 319 HB3 ARG 111 HB3 ARG 111 -3.517 -9.330 15.198 320 HG2 ARG 111 HG2 ARG 111 -1.170 -9.650 15.690 321 HG3 ARG 111 HG3 ARG 111 -1.067 -10.987 14.548 322 HD2 ARG 111 HD2 ARG 111 -0.168 -8.941 13.536 323 HD3 ARG 111 HD3 ARG 111 -1.636 -9.440 12.700 324 HE ARG 111 HE ARG 111 -2.692 -7.521 13.495 325 HH11 ARG 111 HH21 ARG 111 0.309 -8.088 15.119 326 HH12 ARG 111 HH22 ARG 111 0.327 -6.552 15.919 327 HH21 ARG 111 HH11 ARG 111 -2.675 -5.502 14.538 328 HH22 ARG 111 HH12 ARG 111 -1.363 -5.088 15.590 329 H LYS 112 H LYS 112 -5.307 -12.281 14.522 330 HA LYS 112 HA LYS 112 -7.455 -10.917 15.756 331 HB2 LYS 112 HB2 LYS 112 -7.567 -11.923 13.501 332 HB3 LYS 112 HB3 LYS 112 -7.499 -13.525 14.235 333 HG2 LYS 112 HG2 LYS 112 -9.595 -13.191 15.367 334 HG3 LYS 112 HG3 LYS 112 -9.620 -11.481 14.936 335 HD2 LYS 112 HD2 LYS 112 -11.119 -12.583 13.421 336 HD3 LYS 112 HD3 LYS 112 -9.662 -12.210 12.500 337 HE2 LYS 112 HE2 LYS 112 -8.871 -14.478 12.688 338 HE3 LYS 112 HE3 LYS 112 -10.141 -14.886 13.841 339 HZ1 LYS 112 HZ1 LYS 112 -11.126 -15.631 11.977 340 HZ2 LYS 112 HZ2 LYS 112 -10.263 -14.585 10.954 341 HZ3 LYS 112 HZ3 LYS 112 -11.602 -14.011 11.827 342 H ALA 113 H ALA 113 -6.104 -14.165 16.249 343 HA ALA 113 HA ALA 113 -8.018 -15.083 18.100 344 HB1 ALA 113 HB1 ALA 113 -5.092 -15.829 18.123 345 HB2 ALA 113 HB2 ALA 113 -6.218 -16.439 16.911 346 HB3 ALA 113 HB3 ALA 113 -6.469 -16.815 18.615 347 H ILE 114 H ILE 114 -4.982 -13.301 18.545 348 HA ILE 114 HA ILE 114 -4.964 -13.343 21.369 349 HB ILE 114 HB ILE 114 -3.792 -11.398 19.372 350 HG12 ILE 114 HG12 ILE 114 -2.430 -13.440 21.142 351 HG13 ILE 114 HG13 ILE 114 -2.977 -13.813 19.507 352 HG21 ILE 114 HG21 ILE 114 -3.989 -10.119 21.364 353 HG22 ILE 114 HG22 ILE 114 -2.343 -10.755 21.407 354 HG23 ILE 114 HG23 ILE 114 -3.606 -11.503 22.388 355 HD11 ILE 114 HD11 ILE 114 -1.600 -11.910 18.658 356 HD12 ILE 114 HD12 ILE 114 -0.627 -13.159 19.433 357 HD13 ILE 114 HD13 ILE 114 -0.990 -11.662 20.292 358 H ALA 115 H ALA 115 -6.243 -10.960 19.056 359 HA ALA 115 HA ALA 115 -7.165 -9.102 20.962 360 HB1 ALA 115 HB1 ALA 115 -8.460 -8.149 19.169 361 HB2 ALA 115 HB2 ALA 115 -8.380 -9.651 18.249 362 HB3 ALA 115 HB3 ALA 115 -6.922 -8.690 18.497 363 H GLU 116 H GLU 116 -8.707 -11.905 19.461 364 HA GLU 116 HA GLU 116 -11.273 -11.483 20.583 365 HB2 GLU 116 HB2 GLU 116 -10.862 -12.967 18.646 366 HB3 GLU 116 HB3 GLU 116 -10.002 -14.088 19.699 367 HG2 GLU 116 HG2 GLU 116 -12.307 -14.850 19.406 368 HG3 GLU 116 HG3 GLU 116 -12.074 -14.332 21.075 369 H SER 117 H SER 117 -8.421 -13.265 21.681 370 HA SER 117 HA SER 117 -9.594 -14.600 23.855 371 HB2 SER 117 HB2 SER 117 -6.773 -13.595 23.445 372 HB3 SER 117 HB3 SER 117 -7.257 -14.657 24.765 373 HG SER 117 HG SER 117 -7.590 -15.176 21.988 374 H LEU 118 H LEU 118 -8.148 -11.381 23.600 375 HA LEU 118 HA LEU 118 -8.401 -10.754 26.374 376 HB2 LEU 118 HB2 LEU 118 -7.735 -9.277 23.874 377 HB3 LEU 118 HB3 LEU 118 -8.300 -8.304 25.233 378 HG LEU 118 HG LEU 118 -5.801 -8.621 25.146 379 HD11 LEU 118 HD11 LEU 118 -5.651 -8.565 27.444 380 HD12 LEU 118 HD12 LEU 118 -6.646 -10.003 27.664 381 HD13 LEU 118 HD13 LEU 118 -7.409 -8.446 27.332 382 HD21 LEU 118 HD21 LEU 118 -4.793 -10.718 25.361 383 HD22 LEU 118 HD22 LEU 118 -6.208 -11.143 24.397 384 HD23 LEU 118 HD23 LEU 118 -6.205 -11.437 26.134 385 H ASN 119 H ASN 119 -10.468 -10.334 23.566 386 HA ASN 119 HA ASN 119 -12.410 -8.773 25.052 387 HB2 ASN 119 HB2 ASN 119 -12.541 -10.022 22.299 388 HB3 ASN 119 HB3 ASN 119 -13.717 -8.892 22.967 389 HD21 ASN 119 HD21 ASN 119 -12.384 -6.829 23.999 390 HD22 ASN 119 HD22 ASN 119 -11.274 -6.151 22.911 391 H SER 120 H SER 120 -11.719 -12.082 24.513 392 HA SER 120 HA SER 120 -14.448 -12.989 25.033 393 HB2 SER 120 HB2 SER 120 -11.859 -14.467 24.541 394 HB3 SER 120 HB3 SER 120 -13.388 -15.265 24.897 395 HG SER 120 HG SER 120 -14.150 -14.687 22.987 396 H CYS 121 H CYS 121 -15.047 -14.217 26.844 397 HA CYS 121 HA CYS 121 -13.772 -13.403 29.302 398 HB2 CYS 121 HB2 CYS 121 -16.123 -15.214 28.732 399 HB3 CYS 121 HB3 CYS 121 -15.572 -14.794 30.353 400 HG CYS 121 HG CYS 121 -16.237 -12.426 28.468 401 H ARG 122 H ARG 122 -12.953 -14.809 30.924 402 HA ARG 122 HA ARG 122 -11.185 -16.741 29.913 403 HB2 ARG 122 HB2 ARG 122 -12.090 -16.241 32.759 404 HB3 ARG 122 HB3 ARG 122 -10.749 -17.295 32.298 405 HG2 ARG 122 HG2 ARG 122 -9.650 -15.392 31.161 406 HG3 ARG 122 HG3 ARG 122 -10.975 -14.340 31.667 407 HD2 ARG 122 HD2 ARG 122 -9.152 -14.069 33.237 408 HD3 ARG 122 HD3 ARG 122 -10.461 -14.927 34.043 409 HE ARG 122 HE ARG 122 -8.657 -16.791 32.888 410 HH11 ARG 122 HH21 ARG 122 -8.973 -14.485 35.448 411 HH12 ARG 122 HH22 ARG 122 -7.877 -15.306 36.510 412 HH21 ARG 122 HH11 ARG 122 -7.219 -17.874 34.274 413 HH22 ARG 122 HH12 ARG 122 -6.884 -17.224 35.844 414 HA PRO 123 HA PRO 123 -14.009 -20.219 29.763 415 HB2 PRO 123 HB2 PRO 123 -12.182 -22.233 29.413 416 HB3 PRO 123 HB3 PRO 123 -12.614 -21.087 28.126 417 HG2 PRO 123 HG2 PRO 123 -10.229 -21.096 29.927 418 HG3 PRO 123 HG3 PRO 123 -10.332 -20.740 28.194 419 HD2 PRO 123 HD2 PRO 123 -10.187 -18.789 30.103 420 HD3 PRO 123 HD3 PRO 123 -10.997 -18.555 28.546 421 H SER 124 H SER 124 -14.814 -21.819 31.115 422 HA SER 124 HA SER 124 -13.999 -21.727 33.858 423 HB2 SER 124 HB2 SER 124 -16.339 -22.053 33.293 424 HB3 SER 124 HB3 SER 124 -15.954 -23.531 32.413 425 HG SER 124 HG SER 124 -15.923 -24.556 34.242 426 H ASP 125 H ASP 125 -12.860 -23.192 35.051 427 HA ASP 125 HA ASP 125 -10.955 -24.830 33.766 428 HB2 ASP 125 HB2 ASP 125 -10.515 -25.704 36.061 429 HB3 ASP 125 HB3 ASP 125 -10.529 -23.944 35.977 430 H ALA 126 H ALA 126 -11.212 -26.748 32.834 431 HA ALA 126 HA ALA 126 -13.634 -28.309 33.327 432 HB1 ALA 126 HB1 ALA 126 -11.351 -28.728 31.383 433 HB2 ALA 126 HB2 ALA 126 -12.905 -27.977 31.016 434 HB3 ALA 126 HB3 ALA 126 -12.830 -29.687 31.445 435 H SER 127 H SER 127 -10.200 -28.413 33.987 436 HA SER 127 HA SER 127 -10.186 -31.175 34.815 437 HB2 SER 127 HB2 SER 127 -7.900 -30.762 35.479 438 HB3 SER 127 HB3 SER 127 -8.175 -29.992 33.919 439 HG SER 127 HG SER 127 -7.868 -28.864 36.468 440 H ALA 128 H ALA 128 -11.208 -28.265 36.208 441 HA ALA 128 HA ALA 128 -12.177 -27.883 38.270 442 HB1 ALA 128 HB1 ALA 128 -12.452 -30.523 38.147 443 HB2 ALA 128 HB2 ALA 128 -12.736 -29.656 39.655 444 HB3 ALA 128 HB3 ALA 128 -11.203 -30.490 39.391 445 H THR 129 H THR 129 -9.148 -27.842 37.464 446 HA THR 129 HA THR 129 -7.800 -27.878 40.016 447 HB THR 129 HB THR 129 -6.904 -26.837 37.319 448 HG1 THR 129 HG1 THR 129 -7.397 -29.200 37.838 449 HG21 THR 129 HG21 THR 129 -5.473 -27.271 39.943 450 HG22 THR 129 HG22 THR 129 -5.564 -25.789 38.993 451 HG23 THR 129 HG23 THR 129 -4.619 -27.157 38.405 452 H ARG 130 H ARG 130 -7.529 -26.232 41.393 453 HA ARG 130 HA ARG 130 -8.945 -23.767 40.981 454 HB2 ARG 130 HB2 ARG 130 -7.678 -23.186 43.199 455 HB3 ARG 130 HB3 ARG 130 -8.931 -24.430 43.224 456 HG2 ARG 130 HG2 ARG 130 -6.169 -25.381 42.565 457 HG3 ARG 130 HG3 ARG 130 -6.428 -24.845 44.224 458 HD2 ARG 130 HD2 ARG 130 -8.242 -26.828 42.827 459 HD3 ARG 130 HD3 ARG 130 -6.872 -27.306 43.830 460 HE ARG 130 HE ARG 130 -9.394 -26.178 44.744 461 HH11 ARG 130 HH21 ARG 130 -6.078 -26.879 45.400 462 HH12 ARG 130 HH22 ARG 130 -6.269 -26.870 47.121 463 HH21 ARG 130 HH11 ARG 130 -9.662 -26.160 46.999 464 HH22 ARG 130 HH12 ARG 130 -8.303 -26.463 48.027 465 H SER 131 H SER 131 -8.075 -21.685 40.818 466 HA SER 131 HA SER 131 -5.274 -21.170 40.663 467 HB2 SER 131 HB2 SER 131 -5.220 -22.185 38.548 468 HB3 SER 131 HB3 SER 131 -6.817 -21.580 38.115 469 HG SER 131 HG SER 131 -4.682 -19.823 38.680 Start of MODEL 14 1 H1 GLY -4 H1 GLY -4 7.878 -31.004 10.688 2 H2 GLY -4 H2 GLY -4 8.845 -32.273 11.272 3 H3 GLY -4 H3 GLY -4 7.407 -31.858 12.075 4 HA2 GLY -4 HA2 GLY -4 7.793 -33.649 9.909 5 HA3 GLY -4 HA3 GLY -4 6.348 -33.381 10.886 6 HA PRO -3 HA PRO -3 5.960 -30.041 7.472 7 HB2 PRO -3 HB2 PRO -3 7.974 -29.767 5.642 8 HB3 PRO -3 HB3 PRO -3 7.993 -28.943 7.215 9 HG2 PRO -3 HG2 PRO -3 9.375 -31.464 6.390 10 HG3 PRO -3 HG3 PRO -3 10.002 -30.098 7.328 11 HD2 PRO -3 HD2 PRO -3 9.156 -32.401 8.510 12 HD3 PRO -3 HD3 PRO -3 8.997 -30.817 9.301 13 H LEU -2 H LEU -2 4.908 -30.245 5.479 14 HA LEU -2 HA LEU -2 4.361 -32.866 4.568 15 HB2 LEU -2 HB2 LEU -2 3.757 -30.120 3.477 16 HB3 LEU -2 HB3 LEU -2 3.292 -31.576 2.597 17 HG LEU -2 HG LEU -2 1.997 -32.364 4.511 18 HD11 LEU -2 HD11 LEU -2 1.695 -30.666 6.433 19 HD12 LEU -2 HD12 LEU -2 3.174 -29.914 5.833 20 HD13 LEU -2 HD13 LEU -2 3.199 -31.585 6.399 21 HD21 LEU -2 HD21 LEU -2 0.219 -30.740 4.428 22 HD22 LEU -2 HD22 LEU -2 1.012 -30.720 2.852 23 HD23 LEU -2 HD23 LEU -2 1.346 -29.444 4.023 24 H GLY -1 H GLY -1 6.468 -30.306 3.336 25 HA2 GLY -1 HA2 GLY -1 8.358 -31.989 2.188 26 HA3 GLY -1 HA3 GLY -1 7.189 -31.623 0.924 27 H SER 0 H SER 0 9.652 -30.322 3.026 28 HA SER 0 HA SER 0 9.402 -27.589 2.331 29 HB2 SER 0 HB2 SER 0 11.661 -27.359 3.229 30 HB3 SER 0 HB3 SER 0 10.703 -28.403 4.274 31 HG SER 0 HG SER 0 11.780 -30.141 3.540 32 H ARG 74 H ARG 74 10.740 -30.317 0.674 33 HA ARG 74 HA ARG 74 12.456 -28.855 -1.096 34 HB2 ARG 74 HB2 ARG 74 11.355 -31.655 -1.037 35 HB3 ARG 74 HB3 ARG 74 12.211 -31.067 -2.463 36 HG2 ARG 74 HG2 ARG 74 13.760 -32.203 -0.918 37 HG3 ARG 74 HG3 ARG 74 14.157 -30.490 -1.060 38 HD2 ARG 74 HD2 ARG 74 14.131 -31.430 1.311 39 HD3 ARG 74 HD3 ARG 74 13.161 -29.985 1.046 40 HE ARG 74 HE ARG 74 11.231 -31.265 1.384 41 HH11 ARG 74 HH21 ARG 74 14.054 -33.236 1.066 42 HH12 ARG 74 HH22 ARG 74 13.265 -34.692 1.573 43 HH21 ARG 74 HH11 ARG 74 10.185 -33.169 2.048 44 HH22 ARG 74 HH12 ARG 74 11.073 -34.654 2.130 45 H LYS 75 H LYS 75 9.103 -29.193 -0.859 46 HA LYS 75 HA LYS 75 8.574 -28.919 -3.695 47 HB2 LYS 75 HB2 LYS 75 7.105 -30.121 -1.899 48 HB3 LYS 75 HB3 LYS 75 6.523 -28.497 -1.539 49 HG2 LYS 75 HG2 LYS 75 4.989 -29.150 -3.174 50 HG3 LYS 75 HG3 LYS 75 6.208 -28.355 -4.171 51 HD2 LYS 75 HD2 LYS 75 7.267 -30.559 -4.608 52 HD3 LYS 75 HD3 LYS 75 6.012 -31.335 -3.641 53 HE2 LYS 75 HE2 LYS 75 4.294 -30.424 -5.180 54 HE3 LYS 75 HE3 LYS 75 5.578 -29.728 -6.169 55 HZ1 LYS 75 HZ1 LYS 75 4.692 -32.462 -5.964 56 HZ2 LYS 75 HZ2 LYS 75 6.380 -32.280 -5.900 57 HZ3 LYS 75 HZ3 LYS 75 5.506 -31.678 -7.227 58 H ILE 76 H ILE 76 9.565 -26.879 -1.326 59 HA ILE 76 HA ILE 76 8.016 -24.549 -2.155 60 HB ILE 76 HB ILE 76 10.408 -24.622 -0.310 61 HG12 ILE 76 HG12 ILE 76 8.773 -26.204 0.543 62 HG13 ILE 76 HG13 ILE 76 8.681 -24.736 1.512 63 HG21 ILE 76 HG21 ILE 76 9.681 -22.400 -1.153 64 HG22 ILE 76 HG22 ILE 76 9.397 -22.568 0.581 65 HG23 ILE 76 HG23 ILE 76 8.055 -22.725 -0.554 66 HD11 ILE 76 HD11 ILE 76 6.809 -24.026 -0.178 67 HD12 ILE 76 HD12 ILE 76 6.420 -25.214 1.067 68 HD13 ILE 76 HD13 ILE 76 6.759 -25.743 -0.580 69 H ALA 77 H ALA 77 8.556 -23.278 -3.782 70 HA ALA 77 HA ALA 77 10.942 -23.681 -5.296 71 HB1 ALA 77 HB1 ALA 77 10.154 -21.748 -6.616 72 HB2 ALA 77 HB2 ALA 77 8.905 -21.444 -5.409 73 HB3 ALA 77 HB3 ALA 77 8.870 -22.929 -6.360 74 H GLN 78 H GLN 78 12.691 -22.252 -5.596 75 HA GLN 78 HA GLN 78 13.636 -20.989 -3.225 76 HB2 GLN 78 HB2 GLN 78 14.627 -20.968 -6.081 77 HB3 GLN 78 HB3 GLN 78 15.477 -20.170 -4.756 78 HG2 GLN 78 HG2 GLN 78 15.739 -22.264 -3.577 79 HG3 GLN 78 HG3 GLN 78 14.714 -23.101 -4.742 80 HE21 GLN 78 HE21 GLN 78 17.472 -23.856 -4.186 81 HE22 GLN 78 HE22 GLN 78 18.357 -23.610 -5.613 82 H MET 79 H MET 79 13.911 -18.808 -2.753 83 HA MET 79 HA MET 79 11.921 -17.046 -3.876 84 HB2 MET 79 HB2 MET 79 14.069 -16.639 -1.786 85 HB3 MET 79 HB3 MET 79 12.903 -15.400 -2.252 86 HG2 MET 79 HG2 MET 79 11.046 -16.814 -1.569 87 HG3 MET 79 HG3 MET 79 12.144 -18.154 -1.240 88 HE1 MET 79 HE1 MET 79 10.945 -14.737 -0.536 89 HE2 MET 79 HE2 MET 79 12.598 -14.187 -0.274 90 HE3 MET 79 HE3 MET 79 11.487 -14.295 1.089 91 H THR 80 H THR 80 12.209 -15.356 -5.246 92 HA THR 80 HA THR 80 14.671 -15.282 -6.774 93 HB THR 80 HB THR 80 13.484 -13.648 -8.166 94 HG1 THR 80 HG1 THR 80 11.080 -13.801 -7.067 95 HG21 THR 80 HG21 THR 80 12.029 -16.162 -7.345 96 HG22 THR 80 HG22 THR 80 13.012 -15.880 -8.783 97 HG23 THR 80 HG23 THR 80 11.424 -15.130 -8.641 98 H GLU 82 H GLU 82 15.634 -13.110 -7.319 99 HA GLU 82 HA GLU 82 16.687 -11.917 -5.005 100 HB2 GLU 82 HB2 GLU 82 17.790 -11.872 -7.227 101 HB3 GLU 82 HB3 GLU 82 16.554 -10.752 -7.796 102 HG2 GLU 82 HG2 GLU 82 17.213 -9.115 -6.094 103 HG3 GLU 82 HG3 GLU 82 18.411 -10.240 -5.455 104 H GLU 83 H GLU 83 14.080 -10.875 -7.184 105 HA GLU 83 HA GLU 83 13.607 -8.376 -5.920 106 HB2 GLU 83 HB2 GLU 83 11.454 -8.428 -7.133 107 HB3 GLU 83 HB3 GLU 83 12.808 -8.847 -8.184 108 HG2 GLU 83 HG2 GLU 83 12.317 -11.274 -7.683 109 HG3 GLU 83 HG3 GLU 83 10.837 -10.741 -6.887 110 H GLN 84 H GLN 84 12.317 -11.625 -5.418 111 HA GLN 84 HA GLN 84 10.256 -10.931 -3.610 112 HB2 GLN 84 HB2 GLN 84 11.822 -13.462 -4.089 113 HB3 GLN 84 HB3 GLN 84 10.583 -13.364 -2.838 114 HG2 GLN 84 HG2 GLN 84 8.883 -12.833 -4.450 115 HG3 GLN 84 HG3 GLN 84 10.073 -12.614 -5.727 116 HE21 GLN 84 HE21 GLN 84 8.910 -15.154 -3.444 117 HE22 GLN 84 HE22 GLN 84 9.151 -16.439 -4.527 118 H PHE 85 H PHE 85 13.667 -11.733 -3.138 119 HA PHE 85 HA PHE 85 13.644 -11.829 -0.322 120 HB2 PHE 85 HB2 PHE 85 15.527 -12.643 -1.689 121 HB3 PHE 85 HB3 PHE 85 15.887 -10.985 -2.173 122 HD1 PHE 85 HD1 PHE 85 15.575 -13.217 0.801 123 HD2 PHE 85 HD2 PHE 85 17.203 -9.574 -0.791 124 HE1 PHE 85 HE1 PHE 85 16.914 -12.914 2.866 125 HE2 PHE 85 HE2 PHE 85 18.542 -9.271 1.276 126 HZ PHE 85 HZ PHE 85 18.397 -10.940 3.103 127 H ALA 86 H ALA 86 14.337 -9.148 -2.559 128 HA ALA 86 HA ALA 86 14.889 -7.194 -0.611 129 HB1 ALA 86 HB1 ALA 86 14.613 -5.583 -2.351 130 HB2 ALA 86 HB2 ALA 86 13.578 -6.667 -3.280 131 HB3 ALA 86 HB3 ALA 86 15.296 -7.024 -3.106 132 H LEU 87 H LEU 87 11.858 -8.264 -2.063 133 HA LEU 87 HA LEU 87 10.203 -6.250 -1.027 134 HB2 LEU 87 HB2 LEU 87 9.457 -7.809 -2.775 135 HB3 LEU 87 HB3 LEU 87 9.526 -9.144 -1.627 136 HG LEU 87 HG LEU 87 7.812 -8.023 -0.225 137 HD11 LEU 87 HD11 LEU 87 6.584 -6.080 -1.550 138 HD12 LEU 87 HD12 LEU 87 8.164 -5.881 -2.309 139 HD13 LEU 87 HD13 LEU 87 8.000 -5.723 -0.562 140 HD21 LEU 87 HD21 LEU 87 5.922 -8.388 -1.722 141 HD22 LEU 87 HD22 LEU 87 7.153 -9.613 -2.027 142 HD23 LEU 87 HD23 LEU 87 6.972 -8.248 -3.131 143 H ALA 88 H ALA 88 11.257 -9.349 0.331 144 HA ALA 88 HA ALA 88 9.606 -9.379 2.600 145 HB1 ALA 88 HB1 ALA 88 10.982 -11.295 1.820 146 HB2 ALA 88 HB2 ALA 88 11.221 -10.949 3.533 147 HB3 ALA 88 HB3 ALA 88 12.429 -10.441 2.353 148 H LEU 89 H LEU 89 12.831 -7.980 2.094 149 HA LEU 89 HA LEU 89 13.148 -7.051 4.773 150 HB2 LEU 89 HB2 LEU 89 14.473 -6.488 2.147 151 HB3 LEU 89 HB3 LEU 89 14.806 -5.413 3.505 152 HG LEU 89 HG LEU 89 16.417 -7.343 3.285 153 HD11 LEU 89 HD11 LEU 89 15.489 -6.163 5.557 154 HD12 LEU 89 HD12 LEU 89 16.714 -7.431 5.566 155 HD13 LEU 89 HD13 LEU 89 15.028 -7.836 5.888 156 HD21 LEU 89 HD21 LEU 89 14.181 -9.089 4.327 157 HD22 LEU 89 HD22 LEU 89 15.726 -9.578 3.628 158 HD23 LEU 89 HD23 LEU 89 14.460 -8.920 2.596 159 H LYS 90 H LYS 90 11.886 -5.558 1.840 160 HA LYS 90 HA LYS 90 11.564 -2.961 2.879 161 HB2 LYS 90 HB2 LYS 90 11.454 -3.598 0.473 162 HB3 LYS 90 HB3 LYS 90 9.874 -4.317 0.774 163 HG2 LYS 90 HG2 LYS 90 9.058 -2.118 1.620 164 HG3 LYS 90 HG3 LYS 90 10.622 -1.409 1.219 165 HD2 LYS 90 HD2 LYS 90 9.008 -2.866 -0.873 166 HD3 LYS 90 HD3 LYS 90 8.693 -1.170 -0.507 167 HE2 LYS 90 HE2 LYS 90 11.371 -2.314 -1.376 168 HE3 LYS 90 HE3 LYS 90 10.274 -1.369 -2.382 169 HZ1 LYS 90 HZ1 LYS 90 12.090 -0.491 -0.333 170 HZ2 LYS 90 HZ2 LYS 90 10.531 0.170 -0.187 171 HZ3 LYS 90 HZ3 LYS 90 11.412 0.373 -1.627 172 H MET 91 H MET 91 9.437 -5.790 2.850 173 HA MET 91 HA MET 91 7.143 -4.529 3.905 174 HB2 MET 91 HB2 MET 91 7.124 -6.774 2.856 175 HB3 MET 91 HB3 MET 91 8.025 -7.407 4.235 176 HG2 MET 91 HG2 MET 91 6.206 -6.814 5.749 177 HG3 MET 91 HG3 MET 91 5.319 -6.050 4.430 178 HE1 MET 91 HE1 MET 91 4.061 -8.330 6.330 179 HE2 MET 91 HE2 MET 91 3.105 -9.093 5.062 180 HE3 MET 91 HE3 MET 91 3.301 -7.342 5.074 181 H SER 92 H SER 92 9.897 -6.126 5.454 182 HA SER 92 HA SER 92 8.949 -6.034 8.104 183 HB2 SER 92 HB2 SER 92 10.891 -7.381 7.437 184 HB3 SER 92 HB3 SER 92 11.798 -5.911 7.087 185 HG SER 92 HG SER 92 11.165 -7.098 9.497 186 H GLU 93 H GLU 93 10.822 -3.703 6.193 187 HA GLU 93 HA GLU 93 11.305 -1.850 8.272 188 HB2 GLU 93 HB2 GLU 93 11.088 -1.490 5.276 189 HB3 GLU 93 HB3 GLU 93 11.605 -0.214 6.379 190 HG2 GLU 93 HG2 GLU 93 12.929 -2.933 6.253 191 HG3 GLU 93 HG3 GLU 93 13.494 -1.541 5.332 192 H GLN 94 H GLN 94 8.620 -2.231 6.005 193 HA GLN 94 HA GLN 94 7.266 0.170 6.670 194 HB2 GLN 94 HB2 GLN 94 6.273 -2.452 5.537 195 HB3 GLN 94 HB3 GLN 94 5.264 -1.015 5.699 196 HG2 GLN 94 HG2 GLN 94 7.882 -1.093 4.175 197 HG3 GLN 94 HG3 GLN 94 6.297 -1.257 3.422 198 HE21 GLN 94 HE21 GLN 94 8.644 1.003 3.939 199 HE22 GLN 94 HE22 GLN 94 7.689 2.404 4.017 200 H GLU 95 H GLU 95 7.176 -3.091 8.002 201 HA GLU 95 HA GLU 95 5.119 -2.323 9.949 202 HB2 GLU 95 HB2 GLU 95 6.523 -4.966 9.481 203 HB3 GLU 95 HB3 GLU 95 5.194 -4.696 10.609 204 HG2 GLU 95 HG2 GLU 95 5.035 -4.173 7.627 205 HG3 GLU 95 HG3 GLU 95 4.438 -5.634 8.413 206 H ALA 96 H ALA 96 8.428 -2.113 9.685 207 HA ALA 96 HA ALA 96 10.048 -1.532 11.211 208 HB1 ALA 96 HB1 ALA 96 9.418 -0.618 13.261 209 HB2 ALA 96 HB2 ALA 96 8.085 -1.753 13.479 210 HB3 ALA 96 HB3 ALA 96 7.939 -0.432 12.322 211 H ARG 97 H ARG 97 7.867 -4.165 11.988 212 HA ARG 97 HA ARG 97 8.211 -6.218 12.928 213 HB2 ARG 97 HB2 ARG 97 9.910 -6.113 10.942 214 HB3 ARG 97 HB3 ARG 97 11.125 -5.985 12.214 215 HG2 ARG 97 HG2 ARG 97 11.013 -8.303 11.949 216 HG3 ARG 97 HG3 ARG 97 9.835 -8.063 13.240 217 HD2 ARG 97 HD2 ARG 97 8.007 -8.054 11.589 218 HD3 ARG 97 HD3 ARG 97 9.175 -8.241 10.285 219 HE ARG 97 HE ARG 97 9.571 -10.343 12.093 220 HH11 ARG 97 HH21 ARG 97 7.171 -9.091 9.938 221 HH12 ARG 97 HH22 ARG 97 6.472 -10.638 9.596 222 HH21 ARG 97 HH11 ARG 97 8.661 -12.373 11.652 223 HH22 ARG 97 HH12 ARG 97 7.316 -12.498 10.568 224 H GLU 98 H GLU 98 8.678 -3.758 14.520 225 HA GLU 98 HA GLU 98 10.160 -5.033 16.733 226 HB2 GLU 98 HB2 GLU 98 10.578 -2.231 15.667 227 HB3 GLU 98 HB3 GLU 98 11.124 -2.758 17.259 228 HG2 GLU 98 HG2 GLU 98 12.539 -4.463 16.281 229 HG3 GLU 98 HG3 GLU 98 11.889 -4.137 14.675 230 H VAL 99 H VAL 99 9.383 -1.757 17.119 231 HA VAL 99 HA VAL 99 7.243 -2.448 18.984 232 HB VAL 99 HB VAL 99 8.130 0.363 18.432 233 HG11 VAL 99 HG11 VAL 99 7.619 -1.025 21.067 234 HG12 VAL 99 HG12 VAL 99 6.309 -0.351 20.096 235 HG13 VAL 99 HG13 VAL 99 7.580 0.703 20.716 236 HG21 VAL 99 HG21 VAL 99 9.716 -1.808 19.836 237 HG22 VAL 99 HG22 VAL 99 9.970 -0.096 20.176 238 HG23 VAL 99 HG23 VAL 99 10.267 -0.728 18.556 239 H ASN 100 H ASN 100 5.140 -1.853 18.774 240 HA ASN 100 HA ASN 100 4.191 -1.257 16.115 241 HB2 ASN 100 HB2 ASN 100 2.698 -1.520 18.736 242 HB3 ASN 100 HB3 ASN 100 1.951 -1.416 17.142 243 HD21 ASN 100 HD21 ASN 100 3.163 -3.140 15.531 244 HD22 ASN 100 HD22 ASN 100 3.264 -4.704 16.183 245 H SER 101 H SER 101 3.810 0.680 15.303 246 HA SER 101 HA SER 101 4.350 3.088 16.663 247 HB2 SER 101 HB2 SER 101 2.783 2.588 14.123 248 HB3 SER 101 HB3 SER 101 3.263 4.182 14.698 249 HG SER 101 HG SER 101 4.674 2.558 13.240 250 H GLN 102 H GLN 102 1.321 1.378 16.012 251 HA GLN 102 HA GLN 102 -0.461 3.381 16.866 252 HB2 GLN 102 HB2 GLN 102 -1.153 1.342 15.642 253 HB3 GLN 102 HB3 GLN 102 -0.789 0.376 17.072 254 HG2 GLN 102 HG2 GLN 102 -2.468 1.581 18.367 255 HG3 GLN 102 HG3 GLN 102 -2.781 2.662 17.009 256 HE21 GLN 102 HE21 GLN 102 -4.987 2.008 16.679 257 HE22 GLN 102 HE22 GLN 102 -5.403 0.449 16.151 258 H GLU 103 H GLU 103 1.188 0.801 18.658 259 HA GLU 103 HA GLU 103 -0.089 1.267 21.146 260 HB2 GLU 103 HB2 GLU 103 2.613 0.065 20.496 261 HB3 GLU 103 HB3 GLU 103 1.862 0.027 22.091 262 HG2 GLU 103 HG2 GLU 103 0.553 -1.068 19.588 263 HG3 GLU 103 HG3 GLU 103 1.468 -2.055 20.727 264 H GLU 104 H GLU 104 2.845 2.569 19.662 265 HA GLU 104 HA GLU 104 3.794 3.990 21.915 266 HB2 GLU 104 HB2 GLU 104 4.183 4.411 18.948 267 HB3 GLU 104 HB3 GLU 104 5.021 5.359 20.178 268 HG2 GLU 104 HG2 GLU 104 6.024 3.348 21.111 269 HG3 GLU 104 HG3 GLU 104 5.104 2.336 20.001 270 H GLU 105 H GLU 105 1.593 4.885 19.286 271 HA GLU 105 HA GLU 105 1.349 7.621 19.934 272 HB2 GLU 105 HB2 GLU 105 0.576 6.639 17.796 273 HB3 GLU 105 HB3 GLU 105 -0.715 5.805 18.662 274 HG2 GLU 105 HG2 GLU 105 -1.637 7.962 19.401 275 HG3 GLU 105 HG3 GLU 105 -0.324 8.812 18.588 276 H GLU 106 H GLU 106 -0.481 4.769 20.991 277 HA GLU 106 HA GLU 106 -2.431 6.145 22.499 278 HB2 GLU 106 HB2 GLU 106 -1.313 3.347 22.695 279 HB3 GLU 106 HB3 GLU 106 -2.628 3.924 23.718 280 HG2 GLU 106 HG2 GLU 106 -2.705 4.095 20.698 281 HG3 GLU 106 HG3 GLU 106 -3.350 2.721 21.594 282 H GLU 107 H GLU 107 0.774 4.887 23.338 283 HA GLU 107 HA GLU 107 0.643 5.370 26.116 284 HB2 GLU 107 HB2 GLU 107 2.969 5.224 24.195 285 HB3 GLU 107 HB3 GLU 107 3.173 5.409 25.935 286 HG2 GLU 107 HG2 GLU 107 2.046 3.322 26.364 287 HG3 GLU 107 HG3 GLU 107 1.566 3.174 24.674 288 H GLU 108 H GLU 108 1.678 7.400 23.404 289 HA GLU 108 HA GLU 108 2.650 9.570 24.936 290 HB2 GLU 108 HB2 GLU 108 1.521 9.438 22.132 291 HB3 GLU 108 HB3 GLU 108 2.259 10.882 22.822 292 HG2 GLU 108 HG2 GLU 108 3.661 8.202 22.694 293 HG3 GLU 108 HG3 GLU 108 3.833 9.446 21.456 294 H LEU 109 H LEU 109 -0.552 8.818 23.625 295 HA LEU 109 HA LEU 109 -1.797 11.255 24.362 296 HB2 LEU 109 HB2 LEU 109 -2.919 8.491 23.873 297 HB3 LEU 109 HB3 LEU 109 -3.921 9.919 24.145 298 HG LEU 109 HG LEU 109 -1.814 9.723 21.972 299 HD11 LEU 109 HD11 LEU 109 -3.692 9.399 20.413 300 HD12 LEU 109 HD12 LEU 109 -4.819 9.372 21.768 301 HD13 LEU 109 HD13 LEU 109 -3.623 8.088 21.593 302 HD21 LEU 109 HD21 LEU 109 -2.161 12.013 22.238 303 HD22 LEU 109 HD22 LEU 109 -3.813 11.809 22.819 304 HD23 LEU 109 HD23 LEU 109 -3.453 11.646 21.098 305 H LEU 110 H LEU 110 -1.358 8.181 26.029 306 HA LEU 110 HA LEU 110 -3.032 8.712 28.221 307 HB2 LEU 110 HB2 LEU 110 -2.177 6.469 27.776 308 HB3 LEU 110 HB3 LEU 110 -0.526 7.015 28.067 309 HG LEU 110 HG LEU 110 -1.108 7.561 30.407 310 HD11 LEU 110 HD11 LEU 110 -3.368 8.151 30.447 311 HD12 LEU 110 HD12 LEU 110 -3.431 6.528 31.133 312 HD13 LEU 110 HD13 LEU 110 -3.855 6.789 29.440 313 HD21 LEU 110 HD21 LEU 110 -1.458 5.251 31.201 314 HD22 LEU 110 HD22 LEU 110 -0.287 5.303 29.883 315 HD23 LEU 110 HD23 LEU 110 -1.940 4.765 29.577 316 H ARG 111 H ARG 111 0.426 9.327 27.715 317 HA ARG 111 HA ARG 111 0.987 10.348 30.275 318 HB2 ARG 111 HB2 ARG 111 2.724 9.696 28.639 319 HB3 ARG 111 HB3 ARG 111 2.286 11.080 27.638 320 HG2 ARG 111 HG2 ARG 111 2.876 12.614 29.465 321 HG3 ARG 111 HG3 ARG 111 3.266 11.245 30.506 322 HD2 ARG 111 HD2 ARG 111 5.325 12.112 29.563 323 HD3 ARG 111 HD3 ARG 111 4.995 10.540 28.846 324 HE ARG 111 HE ARG 111 4.646 11.592 26.792 325 HH11 ARG 111 HH21 ARG 111 4.785 13.870 29.393 326 HH12 ARG 111 HH22 ARG 111 4.852 15.257 28.360 327 HH21 ARG 111 HH11 ARG 111 4.735 13.409 25.428 328 HH22 ARG 111 HH12 ARG 111 4.823 14.996 26.114 329 H LYS 112 H LYS 112 -0.096 11.937 27.300 330 HA LYS 112 HA LYS 112 0.030 14.588 28.244 331 HB2 LYS 112 HB2 LYS 112 -1.667 13.269 26.123 332 HB3 LYS 112 HB3 LYS 112 -1.667 15.009 26.418 333 HG2 LYS 112 HG2 LYS 112 0.978 13.622 26.047 334 HG3 LYS 112 HG3 LYS 112 -0.008 13.944 24.622 335 HD2 LYS 112 HD2 LYS 112 0.493 16.159 26.605 336 HD3 LYS 112 HD3 LYS 112 1.738 15.751 25.424 337 HE2 LYS 112 HE2 LYS 112 0.044 16.031 23.607 338 HE3 LYS 112 HE3 LYS 112 -1.122 16.563 24.819 339 HZ1 LYS 112 HZ1 LYS 112 1.364 17.876 23.948 340 HZ2 LYS 112 HZ2 LYS 112 0.671 18.234 25.456 341 HZ3 LYS 112 HZ3 LYS 112 -0.205 18.513 24.027 342 H ALA 113 H ALA 113 -2.534 12.161 28.362 343 HA ALA 113 HA ALA 113 -4.584 13.819 29.346 344 HB1 ALA 113 HB1 ALA 113 -4.222 10.895 30.010 345 HB2 ALA 113 HB2 ALA 113 -4.819 11.460 28.450 346 HB3 ALA 113 HB3 ALA 113 -5.731 11.802 29.920 347 H ILE 114 H ILE 114 -2.089 11.927 31.005 348 HA ILE 114 HA ILE 114 -3.013 12.363 33.640 349 HB ILE 114 HB ILE 114 -0.238 11.797 32.569 350 HG12 ILE 114 HG12 ILE 114 -2.192 9.999 34.031 351 HG13 ILE 114 HG13 ILE 114 -2.098 10.086 32.272 352 HG21 ILE 114 HG21 ILE 114 0.100 11.036 35.025 353 HG22 ILE 114 HG22 ILE 114 -1.298 12.048 35.389 354 HG23 ILE 114 HG23 ILE 114 0.154 12.767 34.696 355 HD11 ILE 114 HD11 ILE 114 -0.719 8.229 33.041 356 HD12 ILE 114 HD12 ILE 114 0.140 9.292 34.156 357 HD13 ILE 114 HD13 ILE 114 0.329 9.502 32.416 358 H ALA 115 H ALA 115 -0.685 14.134 31.623 359 HA ALA 115 HA ALA 115 0.111 16.021 33.554 360 HB1 ALA 115 HB1 ALA 115 0.881 17.360 31.657 361 HB2 ALA 115 HB2 ALA 115 -0.078 16.373 30.554 362 HB3 ALA 115 HB3 ALA 115 1.289 15.662 31.411 363 H GLU 116 H GLU 116 -2.562 16.028 31.229 364 HA GLU 116 HA GLU 116 -3.429 18.678 31.702 365 HB2 GLU 116 HB2 GLU 116 -4.878 16.216 30.719 366 HB3 GLU 116 HB3 GLU 116 -5.632 17.809 30.800 367 HG2 GLU 116 HG2 GLU 116 -3.983 18.734 29.289 368 HG3 GLU 116 HG3 GLU 116 -3.053 17.236 29.318 369 H SER 117 H SER 117 -4.253 15.589 33.232 370 HA SER 117 HA SER 117 -6.348 16.544 34.869 371 HB2 SER 117 HB2 SER 117 -4.424 14.245 35.261 372 HB3 SER 117 HB3 SER 117 -5.839 14.533 36.270 373 HG SER 117 HG SER 117 -5.993 13.082 34.313 374 H LEU 118 H LEU 118 -2.848 16.341 35.370 375 HA LEU 118 HA LEU 118 -2.853 17.180 38.077 376 HB2 LEU 118 HB2 LEU 118 -0.742 17.307 35.921 377 HB3 LEU 118 HB3 LEU 118 -0.439 17.752 37.602 378 HG LEU 118 HG LEU 118 -1.564 15.061 36.774 379 HD11 LEU 118 HD11 LEU 118 1.311 15.713 37.478 380 HD12 LEU 118 HD12 LEU 118 0.729 15.489 35.828 381 HD13 LEU 118 HD13 LEU 118 0.667 14.150 36.975 382 HD21 LEU 118 HD21 LEU 118 -2.032 15.321 39.066 383 HD22 LEU 118 HD22 LEU 118 -0.583 16.282 39.358 384 HD23 LEU 118 HD23 LEU 118 -0.454 14.540 39.113 385 H ASN 119 H ASN 119 -2.702 18.919 35.023 386 HA ASN 119 HA ASN 119 -2.241 21.478 36.249 387 HB2 ASN 119 HB2 ASN 119 -3.062 20.637 33.469 388 HB3 ASN 119 HB3 ASN 119 -2.847 22.323 33.937 389 HD21 ASN 119 HD21 ASN 119 -1.186 20.954 31.965 390 HD22 ASN 119 HD22 ASN 119 0.393 20.913 32.586 391 H SER 120 H SER 120 -4.977 19.495 35.745 392 HA SER 120 HA SER 120 -6.911 21.665 35.735 393 HB2 SER 120 HB2 SER 120 -7.435 19.657 34.475 394 HB3 SER 120 HB3 SER 120 -7.250 18.664 35.918 395 HG SER 120 HG SER 120 -9.028 19.662 36.804 396 H CYS 121 H CYS 121 -8.369 22.125 37.404 397 HA CYS 121 HA CYS 121 -7.293 21.829 40.052 398 HB2 CYS 121 HB2 CYS 121 -8.472 23.874 39.374 399 HB3 CYS 121 HB3 CYS 121 -9.951 22.944 39.127 400 HG CYS 121 HG CYS 121 -10.281 23.635 41.525 401 H ARG 122 H ARG 122 -7.945 20.539 41.689 402 HA ARG 122 HA ARG 122 -9.321 18.167 41.006 403 HB2 ARG 122 HB2 ARG 122 -8.360 19.259 43.648 404 HB3 ARG 122 HB3 ARG 122 -9.180 17.700 43.498 405 HG2 ARG 122 HG2 ARG 122 -7.483 16.891 41.967 406 HG3 ARG 122 HG3 ARG 122 -6.705 18.476 41.933 407 HD2 ARG 122 HD2 ARG 122 -6.208 18.299 44.329 408 HD3 ARG 122 HD3 ARG 122 -7.016 16.735 44.393 409 HE ARG 122 HE ARG 122 -5.051 16.550 42.420 410 HH11 ARG 122 HH21 ARG 122 -5.308 17.147 45.818 411 HH12 ARG 122 HH22 ARG 122 -3.763 16.459 46.196 412 HH21 ARG 122 HH11 ARG 122 -3.026 15.646 42.907 413 HH22 ARG 122 HH12 ARG 122 -2.471 15.609 44.546 414 HA PRO 123 HA PRO 123 -13.592 19.119 41.739 415 HB2 PRO 123 HB2 PRO 123 -13.654 16.705 43.522 416 HB3 PRO 123 HB3 PRO 123 -14.693 17.111 42.141 417 HG2 PRO 123 HG2 PRO 123 -12.795 15.271 41.923 418 HG3 PRO 123 HG3 PRO 123 -13.141 16.391 40.593 419 HD2 PRO 123 HD2 PRO 123 -10.844 16.393 42.515 420 HD3 PRO 123 HD3 PRO 123 -10.904 16.848 40.797 421 H SER 124 H SER 124 -14.815 20.252 43.225 422 HA SER 124 HA SER 124 -13.547 21.195 45.597 423 HB2 SER 124 HB2 SER 124 -15.548 22.490 45.935 424 HB3 SER 124 HB3 SER 124 -15.185 22.499 44.212 425 HG SER 124 HG SER 124 -17.072 20.884 45.590 426 H ASP 125 H ASP 125 -14.473 21.062 47.767 427 HA ASP 125 HA ASP 125 -14.866 18.379 48.590 428 HB2 ASP 125 HB2 ASP 125 -15.303 20.984 50.066 429 HB3 ASP 125 HB3 ASP 125 -15.329 19.391 50.820 430 H ALA 126 H ALA 126 -16.687 17.314 49.340 431 HA ALA 126 HA ALA 126 -19.130 17.849 48.044 432 HB1 ALA 126 HB1 ALA 126 -18.825 16.204 50.557 433 HB2 ALA 126 HB2 ALA 126 -18.317 15.622 48.971 434 HB3 ALA 126 HB3 ALA 126 -20.011 16.005 49.269 435 H SER 127 H SER 127 -17.944 18.656 51.265 436 HA SER 127 HA SER 127 -20.477 19.669 52.186 437 HB2 SER 127 HB2 SER 127 -19.255 20.381 54.149 438 HB3 SER 127 HB3 SER 127 -18.713 18.763 53.709 439 HG SER 127 HG SER 127 -17.438 21.148 52.849 440 H ALA 128 H ALA 128 -18.041 20.840 50.149 441 HA ALA 128 HA ALA 128 -17.923 22.842 49.001 442 HB1 ALA 128 HB1 ALA 128 -20.495 22.886 49.694 443 HB2 ALA 128 HB2 ALA 128 -19.712 24.315 49.023 444 HB3 ALA 128 HB3 ALA 128 -19.949 24.174 50.766 445 H THR 129 H THR 129 -17.176 22.214 52.110 446 HA THR 129 HA THR 129 -16.381 24.862 52.968 447 HB THR 129 HB THR 129 -15.438 23.707 54.906 448 HG1 THR 129 HG1 THR 129 -15.981 21.295 54.770 449 HG21 THR 129 HG21 THR 129 -17.549 22.442 55.592 450 HG22 THR 129 HG22 THR 129 -18.164 22.791 53.976 451 HG23 THR 129 HG23 THR 129 -17.780 24.113 55.080 452 H ARG 130 H ARG 130 -14.188 25.496 53.364 453 HA ARG 130 HA ARG 130 -12.396 24.672 51.238 454 HB2 ARG 130 HB2 ARG 130 -12.119 26.712 53.457 455 HB3 ARG 130 HB3 ARG 130 -10.913 26.442 52.197 456 HG2 ARG 130 HG2 ARG 130 -12.505 27.041 50.464 457 HG3 ARG 130 HG3 ARG 130 -13.806 27.162 51.650 458 HD2 ARG 130 HD2 ARG 130 -12.985 29.398 51.136 459 HD3 ARG 130 HD3 ARG 130 -12.548 28.985 52.791 460 HE ARG 130 HE ARG 130 -10.458 28.280 50.977 461 HH11 ARG 130 HH21 ARG 130 -12.001 30.928 52.585 462 HH12 ARG 130 HH22 ARG 130 -10.587 31.925 52.596 463 HH21 ARG 130 HH11 ARG 130 -8.599 29.585 50.987 464 HH22 ARG 130 HH12 ARG 130 -8.659 31.167 51.691 465 H SER 131 H SER 131 -10.455 23.611 51.460 466 HA SER 131 HA SER 131 -9.014 22.047 52.336 467 HB2 SER 131 HB2 SER 131 -8.063 23.894 53.518 468 HB3 SER 131 HB3 SER 131 -9.382 23.912 54.686 469 HG SER 131 HG SER 131 -7.853 22.781 55.710 Start of MODEL 15 1 H1 GLY -4 H1 GLY -4 9.347 -32.496 -14.244 2 H2 GLY -4 H2 GLY -4 10.785 -32.630 -13.349 3 H3 GLY -4 H3 GLY -4 9.379 -32.019 -12.617 4 HA2 GLY -4 HA2 GLY -4 8.348 -34.280 -13.207 5 HA3 GLY -4 HA3 GLY -4 10.029 -34.795 -13.357 6 HA PRO -3 HA PRO -3 8.580 -34.629 -8.826 7 HB2 PRO -3 HB2 PRO -3 8.223 -37.296 -8.371 8 HB3 PRO -3 HB3 PRO -3 6.931 -36.256 -9.003 9 HG2 PRO -3 HG2 PRO -3 8.765 -38.102 -10.485 10 HG3 PRO -3 HG3 PRO -3 7.012 -37.880 -10.657 11 HD2 PRO -3 HD2 PRO -3 8.788 -36.710 -12.357 12 HD3 PRO -3 HD3 PRO -3 7.243 -35.941 -11.926 13 H LEU -2 H LEU -2 9.952 -35.105 -7.075 14 HA LEU -2 HA LEU -2 12.004 -35.402 -6.091 15 HB2 LEU -2 HB2 LEU -2 11.484 -37.917 -7.640 16 HB3 LEU -2 HB3 LEU -2 13.044 -37.729 -6.848 17 HG LEU -2 HG LEU -2 11.338 -38.895 -5.427 18 HD11 LEU -2 HD11 LEU -2 13.215 -37.082 -4.622 19 HD12 LEU -2 HD12 LEU -2 12.203 -37.996 -3.514 20 HD13 LEU -2 HD13 LEU -2 11.761 -36.348 -3.947 21 HD21 LEU -2 HD21 LEU -2 9.967 -36.204 -5.242 22 HD22 LEU -2 HD22 LEU -2 9.387 -37.768 -4.669 23 HD23 LEU -2 HD23 LEU -2 9.457 -37.436 -6.397 24 H GLY -1 H GLY -1 12.702 -33.523 -7.420 25 HA2 GLY -1 HA2 GLY -1 15.214 -34.110 -8.673 26 HA3 GLY -1 HA3 GLY -1 14.008 -33.565 -9.836 27 H SER 0 H SER 0 16.304 -32.101 -9.412 28 HA SER 0 HA SER 0 16.073 -30.054 -7.470 29 HB2 SER 0 HB2 SER 0 17.771 -28.892 -8.791 30 HB3 SER 0 HB3 SER 0 18.178 -30.599 -8.652 31 HG SER 0 HG SER 0 18.358 -30.247 -10.772 32 H ARG 74 H ARG 74 14.563 -30.560 -10.536 33 HA ARG 74 HA ARG 74 13.871 -27.847 -11.077 34 HB2 ARG 74 HB2 ARG 74 12.691 -30.461 -12.043 35 HB3 ARG 74 HB3 ARG 74 12.233 -28.882 -12.673 36 HG2 ARG 74 HG2 ARG 74 15.112 -29.795 -12.641 37 HG3 ARG 74 HG3 ARG 74 14.033 -30.203 -13.973 38 HD2 ARG 74 HD2 ARG 74 13.580 -27.786 -14.318 39 HD3 ARG 74 HD3 ARG 74 14.710 -27.393 -13.036 40 HE ARG 74 HE ARG 74 15.385 -28.351 -15.701 41 HH11 ARG 74 HH21 ARG 74 16.379 -27.703 -12.446 42 HH12 ARG 74 HH22 ARG 74 18.061 -27.597 -12.837 43 HH21 ARG 74 HH11 ARG 74 17.584 -28.212 -16.217 44 HH22 ARG 74 HH12 ARG 74 18.744 -27.887 -14.974 45 H LYS 75 H LYS 75 12.713 -30.123 -8.829 46 HA LYS 75 HA LYS 75 10.035 -29.019 -8.691 47 HB2 LYS 75 HB2 LYS 75 10.491 -31.428 -8.268 48 HB3 LYS 75 HB3 LYS 75 11.411 -30.962 -6.837 49 HG2 LYS 75 HG2 LYS 75 9.458 -30.016 -5.795 50 HG3 LYS 75 HG3 LYS 75 8.520 -30.184 -7.279 51 HD2 LYS 75 HD2 LYS 75 8.593 -32.597 -7.119 52 HD3 LYS 75 HD3 LYS 75 9.720 -32.517 -5.763 53 HE2 LYS 75 HE2 LYS 75 7.410 -32.927 -4.978 54 HE3 LYS 75 HE3 LYS 75 8.016 -31.374 -4.401 55 HZ1 LYS 75 HZ1 LYS 75 6.600 -31.424 -6.960 56 HZ2 LYS 75 HZ2 LYS 75 6.640 -30.217 -5.765 57 HZ3 LYS 75 HZ3 LYS 75 5.676 -31.600 -5.549 58 H ILE 76 H ILE 76 13.039 -28.153 -7.569 59 HA ILE 76 HA ILE 76 12.116 -26.949 -5.071 60 HB ILE 76 HB ILE 76 14.817 -26.680 -6.399 61 HG12 ILE 76 HG12 ILE 76 14.365 -29.044 -6.051 62 HG13 ILE 76 HG13 ILE 76 15.497 -28.501 -4.819 63 HG21 ILE 76 HG21 ILE 76 15.545 -26.159 -4.092 64 HG22 ILE 76 HG22 ILE 76 13.876 -26.300 -3.540 65 HG23 ILE 76 HG23 ILE 76 14.329 -25.014 -4.660 66 HD11 ILE 76 HD11 ILE 76 13.951 -29.734 -3.564 67 HD12 ILE 76 HD12 ILE 76 12.584 -29.193 -4.531 68 HD13 ILE 76 HD13 ILE 76 13.336 -28.092 -3.381 69 H ALA 77 H ALA 77 11.293 -24.982 -4.947 70 HA ALA 77 HA ALA 77 11.478 -23.175 -7.262 71 HB1 ALA 77 HB1 ALA 77 9.246 -23.538 -6.396 72 HB2 ALA 77 HB2 ALA 77 9.730 -21.884 -6.021 73 HB3 ALA 77 HB3 ALA 77 9.766 -23.120 -4.764 74 H GLN 78 H GLN 78 13.278 -21.961 -7.229 75 HA GLN 78 HA GLN 78 14.475 -21.075 -4.738 76 HB2 GLN 78 HB2 GLN 78 15.179 -20.549 -7.635 77 HB3 GLN 78 HB3 GLN 78 16.126 -19.978 -6.261 78 HG2 GLN 78 HG2 GLN 78 16.432 -22.307 -5.502 79 HG3 GLN 78 HG3 GLN 78 15.492 -22.878 -6.879 80 HE21 GLN 78 HE21 GLN 78 18.562 -22.907 -5.989 81 HE22 GLN 78 HE22 GLN 78 19.347 -22.553 -7.450 82 H MET 79 H MET 79 14.353 -19.073 -3.858 83 HA MET 79 HA MET 79 12.263 -17.305 -4.748 84 HB2 MET 79 HB2 MET 79 14.355 -16.992 -2.585 85 HB3 MET 79 HB3 MET 79 12.973 -15.926 -2.820 86 HG2 MET 79 HG2 MET 79 11.417 -17.689 -2.357 87 HG3 MET 79 HG3 MET 79 12.689 -18.908 -2.399 88 HE1 MET 79 HE1 MET 79 14.494 -18.765 0.832 89 HE2 MET 79 HE2 MET 79 15.079 -18.092 -0.683 90 HE3 MET 79 HE3 MET 79 14.128 -19.575 -0.694 91 H THR 80 H THR 80 12.433 -15.392 -5.831 92 HA THR 80 HA THR 80 14.945 -14.878 -7.197 93 HB THR 80 HB THR 80 13.681 -13.225 -8.454 94 HG1 THR 80 HG1 THR 80 11.858 -12.443 -7.732 95 HG21 THR 80 HG21 THR 80 13.404 -15.759 -8.835 96 HG22 THR 80 HG22 THR 80 12.176 -14.704 -9.534 97 HG23 THR 80 HG23 THR 80 11.840 -15.582 -8.041 98 H GLU 82 H GLU 82 15.829 -12.662 -7.308 99 HA GLU 82 HA GLU 82 16.532 -11.696 -4.768 100 HB2 GLU 82 HB2 GLU 82 17.558 -9.833 -5.956 101 HB3 GLU 82 HB3 GLU 82 17.853 -11.328 -6.843 102 HG2 GLU 82 HG2 GLU 82 15.844 -10.791 -8.266 103 HG3 GLU 82 HG3 GLU 82 15.762 -9.224 -7.465 104 H GLU 83 H GLU 83 13.932 -10.860 -6.954 105 HA GLU 83 HA GLU 83 13.160 -8.426 -5.727 106 HB2 GLU 83 HB2 GLU 83 11.625 -10.428 -7.391 107 HB3 GLU 83 HB3 GLU 83 10.935 -8.903 -6.831 108 HG2 GLU 83 HG2 GLU 83 12.652 -7.641 -7.998 109 HG3 GLU 83 HG3 GLU 83 13.483 -9.127 -8.458 110 H GLN 84 H GLN 84 12.284 -11.806 -5.166 111 HA GLN 84 HA GLN 84 10.200 -11.335 -3.331 112 HB2 GLN 84 HB2 GLN 84 12.076 -13.668 -3.675 113 HB3 GLN 84 HB3 GLN 84 10.729 -13.671 -2.539 114 HG2 GLN 84 HG2 GLN 84 10.447 -13.146 -5.508 115 HG3 GLN 84 HG3 GLN 84 10.160 -14.708 -4.750 116 HE21 GLN 84 HE21 GLN 84 8.267 -12.680 -6.116 117 HE22 GLN 84 HE22 GLN 84 7.021 -12.466 -4.984 118 H PHE 85 H PHE 85 13.685 -11.747 -2.900 119 HA PHE 85 HA PHE 85 13.683 -11.734 -0.077 120 HB2 PHE 85 HB2 PHE 85 15.622 -12.423 -1.440 121 HB3 PHE 85 HB3 PHE 85 15.837 -10.753 -1.964 122 HD1 PHE 85 HD1 PHE 85 15.748 -12.956 1.041 123 HD2 PHE 85 HD2 PHE 85 16.991 -9.183 -0.593 124 HE1 PHE 85 HE1 PHE 85 17.064 -12.502 3.091 125 HE2 PHE 85 HE2 PHE 85 18.308 -8.730 1.458 126 HZ PHE 85 HZ PHE 85 18.346 -10.390 3.299 127 H ALA 86 H ALA 86 14.135 -9.078 -2.419 128 HA ALA 86 HA ALA 86 14.508 -7.027 -0.534 129 HB1 ALA 86 HB1 ALA 86 15.067 -6.615 -2.825 130 HB2 ALA 86 HB2 ALA 86 13.749 -5.518 -2.411 131 HB3 ALA 86 HB3 ALA 86 13.421 -6.975 -3.352 132 H LEU 87 H LEU 87 11.568 -8.357 -1.979 133 HA LEU 87 HA LEU 87 9.748 -6.452 -0.997 134 HB2 LEU 87 HB2 LEU 87 9.457 -9.345 -1.768 135 HB3 LEU 87 HB3 LEU 87 8.082 -8.373 -1.257 136 HG LEU 87 HG LEU 87 9.945 -7.469 -3.468 137 HD11 LEU 87 HD11 LEU 87 8.008 -8.339 -4.968 138 HD12 LEU 87 HD12 LEU 87 7.582 -9.343 -3.583 139 HD13 LEU 87 HD13 LEU 87 9.164 -9.511 -4.341 140 HD21 LEU 87 HD21 LEU 87 7.181 -6.689 -2.507 141 HD22 LEU 87 HD22 LEU 87 7.704 -6.324 -4.147 142 HD23 LEU 87 HD23 LEU 87 8.580 -5.655 -2.780 143 H ALA 88 H ALA 88 11.013 -9.427 0.450 144 HA ALA 88 HA ALA 88 9.310 -9.300 2.733 145 HB1 ALA 88 HB1 ALA 88 12.018 -10.620 2.577 146 HB2 ALA 88 HB2 ALA 88 10.561 -11.328 1.883 147 HB3 ALA 88 HB3 ALA 88 10.664 -11.049 3.623 148 H LEU 89 H LEU 89 12.596 -8.162 2.049 149 HA LEU 89 HA LEU 89 13.187 -7.296 4.695 150 HB2 LEU 89 HB2 LEU 89 14.349 -6.985 1.972 151 HB3 LEU 89 HB3 LEU 89 14.853 -5.798 3.163 152 HG LEU 89 HG LEU 89 16.326 -7.857 3.004 153 HD11 LEU 89 HD11 LEU 89 16.859 -7.736 5.238 154 HD12 LEU 89 HD12 LEU 89 15.188 -7.868 5.776 155 HD13 LEU 89 HD13 LEU 89 15.799 -6.337 5.161 156 HD21 LEU 89 HD21 LEU 89 14.250 -9.360 4.575 157 HD22 LEU 89 HD22 LEU 89 15.560 -9.969 3.579 158 HD23 LEU 89 HD23 LEU 89 14.119 -9.329 2.825 159 H LYS 90 H LYS 90 12.057 -5.529 1.819 160 HA LYS 90 HA LYS 90 11.980 -3.016 3.146 161 HB2 LYS 90 HB2 LYS 90 10.741 -2.266 1.180 162 HB3 LYS 90 HB3 LYS 90 12.121 -3.250 0.711 163 HG2 LYS 90 HG2 LYS 90 10.604 -4.389 -0.559 164 HG3 LYS 90 HG3 LYS 90 10.221 -5.195 0.949 165 HD2 LYS 90 HD2 LYS 90 8.100 -4.512 0.263 166 HD3 LYS 90 HD3 LYS 90 8.564 -3.159 1.291 167 HE2 LYS 90 HE2 LYS 90 9.414 -1.963 -0.730 168 HE3 LYS 90 HE3 LYS 90 8.828 -3.297 -1.725 169 HZ1 LYS 90 HZ1 LYS 90 7.388 -1.128 -1.073 170 HZ2 LYS 90 HZ2 LYS 90 6.875 -2.232 0.111 171 HZ3 LYS 90 HZ3 LYS 90 6.724 -2.618 -1.536 172 H MET 91 H MET 91 9.736 -5.683 2.807 173 HA MET 91 HA MET 91 7.395 -4.332 3.634 174 HB2 MET 91 HB2 MET 91 7.293 -6.521 2.564 175 HB3 MET 91 HB3 MET 91 8.150 -7.248 3.921 176 HG2 MET 91 HG2 MET 91 6.293 -6.680 5.418 177 HG3 MET 91 HG3 MET 91 5.474 -5.828 4.113 178 HE1 MET 91 HE1 MET 91 6.637 -10.195 4.241 179 HE2 MET 91 HE2 MET 91 5.714 -9.720 5.660 180 HE3 MET 91 HE3 MET 91 7.182 -8.849 5.251 181 H SER 92 H SER 92 9.870 -6.114 5.430 182 HA SER 92 HA SER 92 8.650 -5.908 7.966 183 HB2 SER 92 HB2 SER 92 11.549 -6.207 7.171 184 HB3 SER 92 HB3 SER 92 10.971 -6.309 8.832 185 HG SER 92 HG SER 92 9.579 -8.007 8.116 186 H GLU 93 H GLU 93 10.909 -3.804 6.235 187 HA GLU 93 HA GLU 93 11.422 -2.009 8.350 188 HB2 GLU 93 HB2 GLU 93 11.470 -1.664 5.347 189 HB3 GLU 93 HB3 GLU 93 12.000 -0.414 6.474 190 HG2 GLU 93 HG2 GLU 93 13.715 -1.850 7.376 191 HG3 GLU 93 HG3 GLU 93 13.100 -3.235 6.477 192 H GLN 94 H GLN 94 8.889 -2.103 5.877 193 HA GLN 94 HA GLN 94 7.736 0.415 6.510 194 HB2 GLN 94 HB2 GLN 94 6.628 -2.057 5.167 195 HB3 GLN 94 HB3 GLN 94 5.711 -0.560 5.337 196 HG2 GLN 94 HG2 GLN 94 8.436 -0.728 4.022 197 HG3 GLN 94 HG3 GLN 94 6.913 -0.776 3.135 198 HE21 GLN 94 HE21 GLN 94 9.298 1.349 3.815 199 HE22 GLN 94 HE22 GLN 94 8.404 2.786 3.938 200 H GLU 95 H GLU 95 7.184 -2.872 7.673 201 HA GLU 95 HA GLU 95 4.938 -2.134 9.323 202 HB2 GLU 95 HB2 GLU 95 6.641 -4.636 9.265 203 HB3 GLU 95 HB3 GLU 95 5.158 -4.444 10.199 204 HG2 GLU 95 HG2 GLU 95 5.305 -4.062 7.199 205 HG3 GLU 95 HG3 GLU 95 4.839 -5.580 7.966 206 H ALA 96 H ALA 96 8.377 -2.182 9.662 207 HA ALA 96 HA ALA 96 9.741 -1.448 11.358 208 HB1 ALA 96 HB1 ALA 96 7.712 0.192 11.626 209 HB2 ALA 96 HB2 ALA 96 8.903 0.065 12.919 210 HB3 ALA 96 HB3 ALA 96 7.358 -0.770 13.061 211 H ARG 97 H ARG 97 7.636 -3.964 11.508 212 HA ARG 97 HA ARG 97 9.149 -5.347 13.501 213 HB2 ARG 97 HB2 ARG 97 7.348 -5.695 15.125 214 HB3 ARG 97 HB3 ARG 97 7.719 -3.977 14.979 215 HG2 ARG 97 HG2 ARG 97 5.834 -3.792 13.315 216 HG3 ARG 97 HG3 ARG 97 5.403 -5.457 13.707 217 HD2 ARG 97 HD2 ARG 97 4.057 -3.921 15.053 218 HD3 ARG 97 HD3 ARG 97 5.166 -4.812 16.093 219 HE ARG 97 HE ARG 97 6.269 -2.307 15.211 220 HH11 ARG 97 HH21 ARG 97 4.136 -3.853 17.454 221 HH12 ARG 97 HH22 ARG 97 4.298 -2.627 18.665 222 HH21 ARG 97 HH11 ARG 97 6.490 -0.697 16.797 223 HH22 ARG 97 HH12 ARG 97 5.632 -0.840 18.294 224 H GLU 98 H GLU 98 7.110 -7.217 14.198 225 HA GLU 98 HA GLU 98 5.900 -8.998 13.392 226 HB2 GLU 98 HB2 GLU 98 5.256 -7.105 11.578 227 HB3 GLU 98 HB3 GLU 98 6.152 -8.194 10.523 228 HG2 GLU 98 HG2 GLU 98 3.728 -8.862 12.223 229 HG3 GLU 98 HG3 GLU 98 3.826 -8.855 10.465 230 H VAL 99 H VAL 99 6.523 -11.027 12.800 231 HA VAL 99 HA VAL 99 9.288 -11.525 12.472 232 HB VAL 99 HB VAL 99 7.161 -13.540 11.779 233 HG11 VAL 99 HG11 VAL 99 8.740 -15.083 12.821 234 HG12 VAL 99 HG12 VAL 99 9.762 -13.740 13.334 235 HG13 VAL 99 HG13 VAL 99 9.586 -14.109 11.618 236 HG21 VAL 99 HG21 VAL 99 7.160 -13.988 14.330 237 HG22 VAL 99 HG22 VAL 99 6.237 -12.598 13.763 238 HG23 VAL 99 HG23 VAL 99 7.825 -12.361 14.493 239 H ASN 100 H ASN 100 10.384 -12.458 10.692 240 HA ASN 100 HA ASN 100 9.572 -11.368 8.156 241 HB2 ASN 100 HB2 ASN 100 11.829 -13.274 8.817 242 HB3 ASN 100 HB3 ASN 100 11.649 -12.349 7.328 243 HD21 ASN 100 HD21 ASN 100 11.173 -9.810 7.986 244 HD22 ASN 100 HD22 ASN 100 12.306 -9.192 9.088 245 H SER 101 H SER 101 8.355 -12.313 6.688 246 HA SER 101 HA SER 101 7.170 -14.852 6.998 247 HB2 SER 101 HB2 SER 101 7.425 -13.088 4.554 248 HB3 SER 101 HB3 SER 101 6.434 -14.541 4.623 249 HG SER 101 HG SER 101 4.978 -13.336 5.515 250 H GLN 102 H GLN 102 9.971 -13.731 5.174 251 HA GLN 102 HA GLN 102 10.456 -16.070 3.683 252 HB2 GLN 102 HB2 GLN 102 12.315 -13.918 4.717 253 HB3 GLN 102 HB3 GLN 102 12.836 -15.207 3.632 254 HG2 GLN 102 HG2 GLN 102 10.540 -13.335 3.026 255 HG3 GLN 102 HG3 GLN 102 12.189 -13.068 2.460 256 HE21 GLN 102 HE21 GLN 102 9.441 -13.972 1.138 257 HE22 GLN 102 HE22 GLN 102 9.936 -15.250 0.136 258 H GLU 103 H GLU 103 11.492 -15.090 6.939 259 HA GLU 103 HA GLU 103 13.232 -17.271 7.401 260 HB2 GLU 103 HB2 GLU 103 13.193 -15.236 8.805 261 HB3 GLU 103 HB3 GLU 103 11.595 -15.682 9.396 262 HG2 GLU 103 HG2 GLU 103 13.291 -16.368 11.017 263 HG3 GLU 103 HG3 GLU 103 12.555 -17.799 10.309 264 H GLU 104 H GLU 104 9.765 -16.814 8.036 265 HA GLU 104 HA GLU 104 9.369 -19.290 9.356 266 HB2 GLU 104 HB2 GLU 104 7.478 -17.474 7.852 267 HB3 GLU 104 HB3 GLU 104 6.949 -18.921 8.712 268 HG2 GLU 104 HG2 GLU 104 7.848 -18.044 10.809 269 HG3 GLU 104 HG3 GLU 104 8.489 -16.633 9.973 270 H GLU 105 H GLU 105 9.085 -18.308 5.974 271 HA GLU 105 HA GLU 105 8.095 -20.769 4.987 272 HB2 GLU 105 HB2 GLU 105 9.582 -18.496 3.670 273 HB3 GLU 105 HB3 GLU 105 8.969 -19.890 2.780 274 HG2 GLU 105 HG2 GLU 105 6.703 -19.408 3.435 275 HG3 GLU 105 HG3 GLU 105 7.238 -18.160 4.561 276 H GLU 106 H GLU 106 11.368 -19.492 5.406 277 HA GLU 106 HA GLU 106 12.742 -21.525 4.034 278 HB2 GLU 106 HB2 GLU 106 13.763 -19.378 4.762 279 HB3 GLU 106 HB3 GLU 106 13.701 -19.947 6.430 280 HG2 GLU 106 HG2 GLU 106 15.145 -21.838 5.879 281 HG3 GLU 106 HG3 GLU 106 15.153 -21.365 4.181 282 H GLU 107 H GLU 107 11.728 -21.273 7.434 283 HA GLU 107 HA GLU 107 13.006 -23.615 8.353 284 HB2 GLU 107 HB2 GLU 107 12.030 -21.910 9.855 285 HB3 GLU 107 HB3 GLU 107 10.416 -22.367 9.318 286 HG2 GLU 107 HG2 GLU 107 10.917 -23.476 11.437 287 HG3 GLU 107 HG3 GLU 107 10.822 -24.683 10.162 288 H GLU 108 H GLU 108 9.759 -23.075 7.008 289 HA GLU 108 HA GLU 108 8.854 -25.740 7.300 290 HB2 GLU 108 HB2 GLU 108 8.047 -23.526 5.399 291 HB3 GLU 108 HB3 GLU 108 7.202 -25.070 5.507 292 HG2 GLU 108 HG2 GLU 108 7.620 -23.161 7.826 293 HG3 GLU 108 HG3 GLU 108 6.130 -23.306 6.900 294 H LEU 109 H LEU 109 10.508 -24.064 4.664 295 HA LEU 109 HA LEU 109 10.388 -26.176 2.790 296 HB2 LEU 109 HB2 LEU 109 12.289 -23.861 3.129 297 HB3 LEU 109 HB3 LEU 109 12.398 -24.986 1.779 298 HG LEU 109 HG LEU 109 9.876 -23.462 2.490 299 HD11 LEU 109 HD11 LEU 109 10.455 -21.961 0.614 300 HD12 LEU 109 HD12 LEU 109 11.996 -22.799 0.421 301 HD13 LEU 109 HD13 LEU 109 11.665 -21.888 1.894 302 HD21 LEU 109 HD21 LEU 109 9.595 -24.023 -0.111 303 HD22 LEU 109 HD22 LEU 109 9.145 -25.190 1.121 304 HD23 LEU 109 HD23 LEU 109 10.691 -25.344 0.291 305 H LEU 110 H LEU 110 12.718 -25.358 5.315 306 HA LEU 110 HA LEU 110 14.671 -27.259 4.593 307 HB2 LEU 110 HB2 LEU 110 14.606 -25.273 6.397 308 HB3 LEU 110 HB3 LEU 110 14.224 -26.597 7.486 309 HG LEU 110 HG LEU 110 16.622 -26.301 7.476 310 HD11 LEU 110 HD11 LEU 110 17.272 -28.527 7.052 311 HD12 LEU 110 HD12 LEU 110 16.153 -28.698 5.704 312 HD13 LEU 110 HD13 LEU 110 15.541 -28.646 7.357 313 HD21 LEU 110 HD21 LEU 110 16.348 -25.412 4.879 314 HD22 LEU 110 HD22 LEU 110 17.039 -27.008 4.616 315 HD23 LEU 110 HD23 LEU 110 17.881 -25.838 5.628 316 H ARG 111 H ARG 111 11.928 -27.434 6.837 317 HA ARG 111 HA ARG 111 12.416 -30.047 7.757 318 HB2 ARG 111 HB2 ARG 111 10.803 -28.340 8.730 319 HB3 ARG 111 HB3 ARG 111 9.695 -28.772 7.430 320 HG2 ARG 111 HG2 ARG 111 8.980 -30.231 9.096 321 HG3 ARG 111 HG3 ARG 111 10.153 -31.247 8.267 322 HD2 ARG 111 HD2 ARG 111 11.881 -30.344 9.957 323 HD3 ARG 111 HD3 ARG 111 10.503 -29.722 10.853 324 HE ARG 111 HE ARG 111 11.315 -32.484 10.648 325 HH11 ARG 111 HH21 ARG 111 8.700 -30.273 11.132 326 HH12 ARG 111 HH22 ARG 111 7.738 -31.394 12.036 327 HH21 ARG 111 HH11 ARG 111 10.070 -33.956 11.830 328 HH22 ARG 111 HH12 ARG 111 8.516 -33.485 12.434 329 H LYS 112 H LYS 112 10.587 -28.825 4.996 330 HA LYS 112 HA LYS 112 9.418 -31.254 4.198 331 HB2 LYS 112 HB2 LYS 112 8.748 -29.033 3.332 332 HB3 LYS 112 HB3 LYS 112 10.273 -28.936 2.453 333 HG2 LYS 112 HG2 LYS 112 9.693 -30.959 1.184 334 HG3 LYS 112 HG3 LYS 112 8.185 -31.104 2.084 335 HD2 LYS 112 HD2 LYS 112 7.474 -28.893 1.222 336 HD3 LYS 112 HD3 LYS 112 8.972 -28.784 0.296 337 HE2 LYS 112 HE2 LYS 112 7.173 -29.598 -1.150 338 HE3 LYS 112 HE3 LYS 112 8.356 -30.883 -0.893 339 HZ1 LYS 112 HZ1 LYS 112 6.942 -31.764 0.869 340 HZ2 LYS 112 HZ2 LYS 112 6.119 -31.718 -0.616 341 HZ3 LYS 112 HZ3 LYS 112 5.795 -30.550 0.575 342 H ALA 113 H ALA 113 12.536 -29.779 3.385 343 HA ALA 113 HA ALA 113 13.315 -31.614 1.404 344 HB1 ALA 113 HB1 ALA 113 15.672 -30.920 2.130 345 HB2 ALA 113 HB2 ALA 113 14.883 -29.903 3.337 346 HB3 ALA 113 HB3 ALA 113 14.593 -29.621 1.620 347 H ILE 114 H ILE 114 13.723 -31.649 4.928 348 HA ILE 114 HA ILE 114 15.288 -34.020 5.029 349 HB ILE 114 HB ILE 114 13.456 -32.800 7.105 350 HG12 ILE 114 HG12 ILE 114 15.211 -31.256 6.381 351 HG13 ILE 114 HG13 ILE 114 15.556 -31.835 8.004 352 HG21 ILE 114 HG21 ILE 114 14.982 -34.062 8.691 353 HG22 ILE 114 HG22 ILE 114 15.583 -34.943 7.287 354 HG23 ILE 114 HG23 ILE 114 13.885 -35.064 7.741 355 HD11 ILE 114 HD11 ILE 114 16.966 -33.673 6.689 356 HD12 ILE 114 HD12 ILE 114 17.638 -32.084 7.020 357 HD13 ILE 114 HD13 ILE 114 16.969 -32.441 5.431 358 H ALA 115 H ALA 115 11.800 -33.423 5.280 359 HA ALA 115 HA ALA 115 11.025 -36.066 5.858 360 HB1 ALA 115 HB1 ALA 115 9.584 -33.815 4.454 361 HB2 ALA 115 HB2 ALA 115 9.441 -34.295 6.145 362 HB3 ALA 115 HB3 ALA 115 8.817 -35.346 4.873 363 H GLU 116 H GLU 116 11.521 -34.384 2.772 364 HA GLU 116 HA GLU 116 10.597 -36.472 1.103 365 HB2 GLU 116 HB2 GLU 116 12.539 -34.203 0.645 366 HB3 GLU 116 HB3 GLU 116 12.062 -35.324 -0.631 367 HG2 GLU 116 HG2 GLU 116 10.051 -33.793 1.029 368 HG3 GLU 116 HG3 GLU 116 10.700 -33.175 -0.489 369 H SER 117 H SER 117 13.811 -35.697 2.390 370 HA SER 117 HA SER 117 15.241 -37.682 0.988 371 HB2 SER 117 HB2 SER 117 16.966 -37.361 2.710 372 HB3 SER 117 HB3 SER 117 16.334 -35.816 2.151 373 HG SER 117 HG SER 117 15.101 -37.075 4.327 374 H LEU 118 H LEU 118 13.515 -37.740 4.073 375 HA LEU 118 HA LEU 118 14.370 -40.335 4.852 376 HB2 LEU 118 HB2 LEU 118 11.982 -38.661 5.629 377 HB3 LEU 118 HB3 LEU 118 12.347 -40.217 6.369 378 HG LEU 118 HG LEU 118 14.289 -37.889 6.264 379 HD11 LEU 118 HD11 LEU 118 13.725 -37.591 8.670 380 HD12 LEU 118 HD12 LEU 118 12.453 -38.802 8.502 381 HD13 LEU 118 HD13 LEU 118 12.349 -37.282 7.613 382 HD21 LEU 118 HD21 LEU 118 15.658 -39.715 6.667 383 HD22 LEU 118 HD22 LEU 118 14.370 -40.672 7.394 384 HD23 LEU 118 HD23 LEU 118 15.151 -39.395 8.320 385 H ASN 119 H ASN 119 11.669 -39.142 2.932 386 HA ASN 119 HA ASN 119 10.576 -41.849 2.630 387 HB2 ASN 119 HB2 ASN 119 9.630 -39.192 1.526 388 HB3 ASN 119 HB3 ASN 119 8.763 -40.724 1.418 389 HD21 ASN 119 HD21 ASN 119 8.797 -41.821 3.877 390 HD22 ASN 119 HD22 ASN 119 8.205 -40.756 5.062 391 H SER 120 H SER 120 12.995 -40.080 1.224 392 HA SER 120 HA SER 120 12.520 -40.538 -1.551 393 HB2 SER 120 HB2 SER 120 15.045 -39.965 0.003 394 HB3 SER 120 HB3 SER 120 15.014 -40.144 -1.747 395 HG SER 120 HG SER 120 13.640 -38.397 -1.876 396 H CYS 121 H CYS 121 13.203 -42.162 -2.887 397 HA CYS 121 HA CYS 121 13.614 -44.744 -1.671 398 HB2 CYS 121 HB2 CYS 121 13.454 -45.624 -3.896 399 HB3 CYS 121 HB3 CYS 121 12.245 -44.350 -3.748 400 HG CYS 121 HG CYS 121 14.762 -44.236 -5.518 401 H ARG 122 H ARG 122 15.369 -46.193 -2.504 402 HA ARG 122 HA ARG 122 17.881 -45.058 -1.911 403 HB2 ARG 122 HB2 ARG 122 17.063 -47.724 -3.060 404 HB3 ARG 122 HB3 ARG 122 18.738 -47.334 -2.696 405 HG2 ARG 122 HG2 ARG 122 16.625 -46.932 -0.581 406 HG3 ARG 122 HG3 ARG 122 17.259 -48.547 -0.883 407 HD2 ARG 122 HD2 ARG 122 19.550 -47.739 -0.479 408 HD3 ARG 122 HD3 ARG 122 18.940 -46.115 -0.195 409 HE ARG 122 HE ARG 122 18.185 -46.793 1.903 410 HH11 ARG 122 HH21 ARG 122 19.140 -49.477 -0.057 411 HH12 ARG 122 HH22 ARG 122 19.073 -50.627 1.237 412 HH21 ARG 122 HH11 ARG 122 18.091 -48.290 3.607 413 HH22 ARG 122 HH12 ARG 122 18.478 -49.952 3.315 414 HA PRO 123 HA PRO 123 19.155 -43.570 -5.877 415 HB2 PRO 123 HB2 PRO 123 21.879 -43.850 -5.706 416 HB3 PRO 123 HB3 PRO 123 20.974 -42.609 -4.816 417 HG2 PRO 123 HG2 PRO 123 21.971 -45.263 -3.858 418 HG3 PRO 123 HG3 PRO 123 22.038 -43.679 -3.059 419 HD2 PRO 123 HD2 PRO 123 20.155 -45.519 -2.407 420 HD3 PRO 123 HD3 PRO 123 19.809 -43.775 -2.374 421 H SER 124 H SER 124 19.755 -44.268 -7.941 422 HA SER 124 HA SER 124 19.473 -47.031 -8.505 423 HB2 SER 124 HB2 SER 124 20.495 -44.768 -10.238 424 HB3 SER 124 HB3 SER 124 20.078 -46.376 -10.825 425 HG SER 124 HG SER 124 17.962 -46.021 -10.073 426 H ASP 125 H ASP 125 20.975 -48.564 -9.151 427 HA ASP 125 HA ASP 125 23.520 -48.469 -7.927 428 HB2 ASP 125 HB2 ASP 125 22.249 -50.554 -8.481 429 HB3 ASP 125 HB3 ASP 125 22.637 -50.284 -10.179 430 H ALA 126 H ALA 126 25.419 -47.683 -8.604 431 HA ALA 126 HA ALA 126 25.642 -46.064 -10.899 432 HB1 ALA 126 HB1 ALA 126 27.947 -45.837 -10.334 433 HB2 ALA 126 HB2 ALA 126 27.953 -47.367 -9.457 434 HB3 ALA 126 HB3 ALA 126 27.080 -45.982 -8.805 435 H SER 127 H SER 127 26.474 -49.448 -10.312 436 HA SER 127 HA SER 127 27.786 -49.777 -12.860 437 HB2 SER 127 HB2 SER 127 26.806 -51.786 -10.821 438 HB3 SER 127 HB3 SER 127 27.733 -52.199 -12.260 439 HG SER 127 HG SER 127 29.110 -51.916 -10.490 440 H ALA 128 H ALA 128 24.546 -49.791 -11.748 441 HA ALA 128 HA ALA 128 22.579 -49.961 -12.939 442 HB1 ALA 128 HB1 ALA 128 24.242 -49.312 -14.909 443 HB2 ALA 128 HB2 ALA 128 22.606 -49.869 -15.254 444 HB3 ALA 128 HB3 ALA 128 23.963 -50.984 -15.395 445 H THR 129 H THR 129 24.490 -52.287 -11.884 446 HA THR 129 HA THR 129 23.191 -54.595 -13.114 447 HB THR 129 HB THR 129 25.246 -54.413 -10.901 448 HG1 THR 129 HG1 THR 129 25.741 -55.468 -13.424 449 HG21 THR 129 HG21 THR 129 24.003 -56.736 -12.384 450 HG22 THR 129 HG22 THR 129 24.057 -56.469 -10.641 451 HG23 THR 129 HG23 THR 129 25.534 -56.870 -11.517 452 H ARG 130 H ARG 130 21.525 -55.682 -12.273 453 HA ARG 130 HA ARG 130 20.103 -54.614 -10.048 454 HB2 ARG 130 HB2 ARG 130 19.049 -55.800 -12.000 455 HB3 ARG 130 HB3 ARG 130 19.724 -57.301 -11.384 456 HG2 ARG 130 HG2 ARG 130 17.480 -57.216 -10.571 457 HG3 ARG 130 HG3 ARG 130 18.501 -56.816 -9.195 458 HD2 ARG 130 HD2 ARG 130 17.972 -54.501 -9.345 459 HD3 ARG 130 HD3 ARG 130 17.309 -54.677 -10.966 460 HE ARG 130 HE ARG 130 15.816 -56.289 -9.197 461 HH11 ARG 130 HH21 ARG 130 16.542 -52.985 -9.897 462 HH12 ARG 130 HH22 ARG 130 15.015 -52.385 -9.343 463 HH21 ARG 130 HH11 ARG 130 13.809 -55.519 -8.469 464 HH22 ARG 130 HH12 ARG 130 13.463 -53.823 -8.533 465 H SER 131 H SER 131 20.216 -55.117 -7.949 466 HA SER 131 HA SER 131 22.284 -56.861 -6.995 467 HB2 SER 131 HB2 SER 131 20.043 -55.714 -5.334 468 HB3 SER 131 HB3 SER 131 21.678 -56.130 -4.826 469 HG SER 131 HG SER 131 20.717 -53.855 -5.987 Start of MODEL 16 1 H1 GLY -4 H1 GLY -4 14.541 -21.430 12.371 2 H2 GLY -4 H2 GLY -4 13.644 -22.310 11.227 3 H3 GLY -4 H3 GLY -4 15.247 -22.754 11.578 4 HA2 GLY -4 HA2 GLY -4 13.987 -22.791 14.011 5 HA3 GLY -4 HA3 GLY -4 12.834 -23.510 12.885 6 HA PRO -3 HA PRO -3 16.385 -26.464 14.198 7 HB2 PRO -3 HB2 PRO -3 14.765 -28.218 15.626 8 HB3 PRO -3 HB3 PRO -3 15.688 -26.891 16.359 9 HG2 PRO -3 HG2 PRO -3 12.803 -26.975 15.569 10 HG3 PRO -3 HG3 PRO -3 13.550 -26.298 17.030 11 HD2 PRO -3 HD2 PRO -3 12.783 -24.701 15.000 12 HD3 PRO -3 HD3 PRO -3 14.261 -24.357 15.929 13 H LEU -2 H LEU -2 13.330 -26.523 12.662 14 HA LEU -2 HA LEU -2 13.156 -29.186 11.798 15 HB2 LEU -2 HB2 LEU -2 11.310 -27.585 11.544 16 HB3 LEU -2 HB3 LEU -2 12.257 -26.663 10.381 17 HG LEU -2 HG LEU -2 12.316 -28.627 8.870 18 HD11 LEU -2 HD11 LEU -2 10.538 -30.463 9.561 19 HD12 LEU -2 HD12 LEU -2 10.887 -29.902 11.195 20 HD13 LEU -2 HD13 LEU -2 12.181 -30.551 10.191 21 HD21 LEU -2 HD21 LEU -2 10.531 -27.074 8.489 22 HD22 LEU -2 HD22 LEU -2 9.602 -27.708 9.849 23 HD23 LEU -2 HD23 LEU -2 9.819 -28.684 8.395 24 H GLY -1 H GLY -1 14.842 -26.380 10.426 25 HA2 GLY -1 HA2 GLY -1 17.042 -26.883 9.373 26 HA3 GLY -1 HA3 GLY -1 16.244 -28.208 8.534 27 H SER 0 H SER 0 17.049 -24.915 8.459 28 HA SER 0 HA SER 0 15.046 -23.969 6.669 29 HB2 SER 0 HB2 SER 0 17.830 -22.947 7.248 30 HB3 SER 0 HB3 SER 0 16.629 -22.088 6.289 31 HG SER 0 HG SER 0 15.450 -21.738 8.053 32 H ARG 74 H ARG 74 17.730 -26.008 6.273 33 HA ARG 74 HA ARG 74 18.547 -25.377 3.652 34 HB2 ARG 74 HB2 ARG 74 19.820 -26.863 5.156 35 HB3 ARG 74 HB3 ARG 74 18.550 -28.079 5.015 36 HG2 ARG 74 HG2 ARG 74 18.952 -28.347 2.661 37 HG3 ARG 74 HG3 ARG 74 20.018 -26.942 2.624 38 HD2 ARG 74 HD2 ARG 74 21.646 -28.081 4.029 39 HD3 ARG 74 HD3 ARG 74 20.564 -29.457 4.223 40 HE ARG 74 HE ARG 74 20.854 -29.332 1.536 41 HH11 ARG 74 HH21 ARG 74 23.100 -29.197 4.166 42 HH12 ARG 74 HH22 ARG 74 24.378 -29.978 3.294 43 HH21 ARG 74 HH11 ARG 74 22.525 -30.360 0.389 44 HH22 ARG 74 HH12 ARG 74 24.052 -30.637 1.158 45 H LYS 75 H LYS 75 15.739 -27.031 4.875 46 HA LYS 75 HA LYS 75 15.083 -28.243 2.318 47 HB2 LYS 75 HB2 LYS 75 13.519 -28.025 4.883 48 HB3 LYS 75 HB3 LYS 75 13.004 -28.951 3.475 49 HG2 LYS 75 HG2 LYS 75 15.210 -30.208 3.646 50 HG3 LYS 75 HG3 LYS 75 15.438 -29.428 5.209 51 HD2 LYS 75 HD2 LYS 75 12.992 -31.071 4.501 52 HD3 LYS 75 HD3 LYS 75 14.399 -31.729 5.334 53 HE2 LYS 75 HE2 LYS 75 14.080 -29.985 7.120 54 HE3 LYS 75 HE3 LYS 75 12.583 -29.508 6.319 55 HZ1 LYS 75 HZ1 LYS 75 12.242 -32.134 6.479 56 HZ2 LYS 75 HZ2 LYS 75 11.697 -31.038 7.659 57 HZ3 LYS 75 HZ3 LYS 75 13.161 -31.872 7.881 58 H ILE 76 H ILE 76 14.901 -25.202 3.496 59 HA ILE 76 HA ILE 76 12.315 -24.480 2.345 60 HB ILE 76 HB ILE 76 14.479 -22.742 3.556 61 HG12 ILE 76 HG12 ILE 76 11.806 -23.625 4.691 62 HG13 ILE 76 HG13 ILE 76 13.340 -24.394 5.095 63 HG21 ILE 76 HG21 ILE 76 11.654 -22.178 2.613 64 HG22 ILE 76 HG22 ILE 76 13.143 -21.423 2.045 65 HG23 ILE 76 HG23 ILE 76 12.552 -21.090 3.671 66 HD11 ILE 76 HD11 ILE 76 12.442 -21.577 5.705 67 HD12 ILE 76 HD12 ILE 76 14.146 -22.024 5.741 68 HD13 ILE 76 HD13 ILE 76 13.005 -22.812 6.828 69 H ALA 77 H ALA 77 11.996 -23.668 0.363 70 HA ALA 77 HA ALA 77 14.012 -23.808 -1.613 71 HB1 ALA 77 HB1 ALA 77 11.444 -22.218 -1.767 72 HB2 ALA 77 HB2 ALA 77 11.528 -23.962 -2.008 73 HB3 ALA 77 HB3 ALA 77 12.376 -22.877 -3.110 74 H GLN 78 H GLN 78 15.221 -22.231 -2.633 75 HA GLN 78 HA GLN 78 16.009 -19.996 -1.060 76 HB2 GLN 78 HB2 GLN 78 16.567 -20.678 -3.957 77 HB3 GLN 78 HB3 GLN 78 17.361 -19.381 -3.062 78 HG2 GLN 78 HG2 GLN 78 18.224 -21.005 -1.436 79 HG3 GLN 78 HG3 GLN 78 17.397 -22.312 -2.281 80 HE21 GLN 78 HE21 GLN 78 18.283 -20.380 -4.766 81 HE22 GLN 78 HE22 GLN 78 19.822 -21.008 -5.108 82 H MET 79 H MET 79 15.485 -17.875 -1.183 83 HA MET 79 HA MET 79 13.014 -17.178 -2.499 84 HB2 MET 79 HB2 MET 79 13.599 -14.872 -1.514 85 HB3 MET 79 HB3 MET 79 13.281 -16.183 -0.382 86 HG2 MET 79 HG2 MET 79 16.106 -15.705 -1.300 87 HG3 MET 79 HG3 MET 79 15.412 -14.659 -0.062 88 HE1 MET 79 HE1 MET 79 17.526 -16.791 2.200 89 HE2 MET 79 HE2 MET 79 16.602 -15.290 2.202 90 HE3 MET 79 HE3 MET 79 17.679 -15.651 0.856 91 H THR 80 H THR 80 12.736 -15.508 -4.054 92 HA THR 80 HA THR 80 14.880 -15.411 -6.008 93 HB THR 80 HB THR 80 13.256 -14.217 -7.400 94 HG1 THR 80 HG1 THR 80 11.062 -14.216 -6.231 95 HG21 THR 80 HG21 THR 80 13.068 -16.592 -7.485 96 HG22 THR 80 HG22 THR 80 11.421 -15.989 -7.312 97 HG23 THR 80 HG23 THR 80 12.267 -16.657 -5.916 98 H GLU 82 H GLU 82 15.442 -13.281 -7.019 99 HA GLU 82 HA GLU 82 16.605 -11.575 -5.099 100 HB2 GLU 82 HB2 GLU 82 16.047 -11.191 -8.050 101 HB3 GLU 82 HB3 GLU 82 16.991 -10.063 -7.081 102 HG2 GLU 82 HG2 GLU 82 18.615 -11.485 -8.046 103 HG3 GLU 82 HG3 GLU 82 18.420 -12.109 -6.412 104 H GLU 83 H GLU 83 13.642 -11.281 -7.033 105 HA GLU 83 HA GLU 83 13.014 -8.648 -6.124 106 HB2 GLU 83 HB2 GLU 83 10.833 -9.032 -7.157 107 HB3 GLU 83 HB3 GLU 83 12.117 -9.586 -8.222 108 HG2 GLU 83 HG2 GLU 83 10.612 -11.381 -8.305 109 HG3 GLU 83 HG3 GLU 83 11.755 -11.905 -7.076 110 H GLN 84 H GLN 84 12.077 -11.911 -5.058 111 HA GLN 84 HA GLN 84 10.147 -11.095 -3.188 112 HB2 GLN 84 HB2 GLN 84 10.496 -13.421 -4.101 113 HB3 GLN 84 HB3 GLN 84 11.887 -13.558 -3.026 114 HG2 GLN 84 HG2 GLN 84 9.147 -12.791 -2.031 115 HG3 GLN 84 HG3 GLN 84 9.664 -14.464 -2.160 116 HE21 GLN 84 HE21 GLN 84 9.083 -12.886 0.333 117 HE22 GLN 84 HE22 GLN 84 10.511 -12.955 1.248 118 H PHE 85 H PHE 85 13.629 -11.662 -2.959 119 HA PHE 85 HA PHE 85 13.878 -11.428 -0.168 120 HB2 PHE 85 HB2 PHE 85 15.670 -12.309 -1.590 121 HB3 PHE 85 HB3 PHE 85 15.879 -10.719 -2.324 122 HD1 PHE 85 HD1 PHE 85 16.063 -12.578 0.893 123 HD2 PHE 85 HD2 PHE 85 17.158 -9.018 -1.247 124 HE1 PHE 85 HE1 PHE 85 17.565 -11.923 2.753 125 HE2 PHE 85 HE2 PHE 85 18.661 -8.363 0.613 126 HZ PHE 85 HZ PHE 85 18.864 -9.816 2.613 127 H ALA 86 H ALA 86 14.213 -8.970 -2.736 128 HA ALA 86 HA ALA 86 14.859 -6.815 -1.050 129 HB1 ALA 86 HB1 ALA 86 14.952 -6.941 -3.612 130 HB2 ALA 86 HB2 ALA 86 14.413 -5.418 -2.904 131 HB3 ALA 86 HB3 ALA 86 13.233 -6.544 -3.577 132 H LEU 87 H LEU 87 11.720 -8.035 -2.158 133 HA LEU 87 HA LEU 87 10.152 -5.990 -0.992 134 HB2 LEU 87 HB2 LEU 87 9.505 -8.843 -1.729 135 HB3 LEU 87 HB3 LEU 87 8.300 -7.695 -1.154 136 HG LEU 87 HG LEU 87 10.095 -7.204 -3.552 137 HD11 LEU 87 HD11 LEU 87 7.180 -8.034 -3.533 138 HD12 LEU 87 HD12 LEU 87 8.516 -9.143 -3.842 139 HD13 LEU 87 HD13 LEU 87 8.208 -7.803 -4.947 140 HD21 LEU 87 HD21 LEU 87 7.885 -5.673 -2.195 141 HD22 LEU 87 HD22 LEU 87 8.002 -5.572 -3.950 142 HD23 LEU 87 HD23 LEU 87 9.362 -5.077 -2.951 143 H ALA 88 H ALA 88 11.383 -9.052 0.237 144 HA ALA 88 HA ALA 88 9.899 -9.187 2.612 145 HB1 ALA 88 HB1 ALA 88 11.370 -10.992 1.644 146 HB2 ALA 88 HB2 ALA 88 11.564 -10.739 3.378 147 HB3 ALA 88 HB3 ALA 88 12.759 -10.095 2.254 148 H LEU 89 H LEU 89 13.012 -7.586 1.927 149 HA LEU 89 HA LEU 89 13.472 -6.756 4.616 150 HB2 LEU 89 HB2 LEU 89 14.598 -6.077 1.928 151 HB3 LEU 89 HB3 LEU 89 14.902 -4.938 3.237 152 HG LEU 89 HG LEU 89 15.835 -6.772 4.609 153 HD11 LEU 89 HD11 LEU 89 15.368 -8.418 2.107 154 HD12 LEU 89 HD12 LEU 89 14.553 -8.635 3.655 155 HD13 LEU 89 HD13 LEU 89 16.281 -8.955 3.514 156 HD21 LEU 89 HD21 LEU 89 17.848 -7.212 3.112 157 HD22 LEU 89 HD22 LEU 89 17.418 -5.515 3.318 158 HD23 LEU 89 HD23 LEU 89 16.979 -6.361 1.834 159 H LYS 90 H LYS 90 12.052 -5.079 1.801 160 HA LYS 90 HA LYS 90 11.574 -2.645 3.196 161 HB2 LYS 90 HB2 LYS 90 10.680 -3.835 0.597 162 HB3 LYS 90 HB3 LYS 90 9.775 -2.457 1.223 163 HG2 LYS 90 HG2 LYS 90 11.575 -1.693 -0.261 164 HG3 LYS 90 HG3 LYS 90 11.882 -1.164 1.392 165 HD2 LYS 90 HD2 LYS 90 13.439 -3.032 1.723 166 HD3 LYS 90 HD3 LYS 90 13.104 -3.615 0.094 167 HE2 LYS 90 HE2 LYS 90 13.968 -1.504 -0.843 168 HE3 LYS 90 HE3 LYS 90 14.318 -0.928 0.787 169 HZ1 LYS 90 HZ1 LYS 90 16.308 -1.852 0.403 170 HZ2 LYS 90 HZ2 LYS 90 15.732 -2.863 -0.834 171 HZ3 LYS 90 HZ3 LYS 90 15.532 -3.310 0.793 172 H MET 91 H MET 91 9.582 -5.511 2.598 173 HA MET 91 HA MET 91 7.202 -4.479 3.702 174 HB2 MET 91 HB2 MET 91 7.324 -6.517 2.281 175 HB3 MET 91 HB3 MET 91 8.124 -7.359 3.606 176 HG2 MET 91 HG2 MET 91 5.736 -7.891 3.631 177 HG3 MET 91 HG3 MET 91 6.136 -6.925 5.046 178 HE1 MET 91 HE1 MET 91 5.485 -5.573 1.164 179 HE2 MET 91 HE2 MET 91 3.757 -5.859 1.336 180 HE3 MET 91 HE3 MET 91 4.888 -7.180 1.602 181 H SER 92 H SER 92 9.891 -6.298 5.132 182 HA SER 92 HA SER 92 8.753 -6.622 7.694 183 HB2 SER 92 HB2 SER 92 11.043 -7.071 8.438 184 HB3 SER 92 HB3 SER 92 10.716 -7.889 6.913 185 HG SER 92 HG SER 92 11.746 -5.292 6.837 186 H GLU 93 H GLU 93 10.754 -4.034 6.296 187 HA GLU 93 HA GLU 93 11.046 -2.569 8.719 188 HB2 GLU 93 HB2 GLU 93 11.393 -1.941 5.800 189 HB3 GLU 93 HB3 GLU 93 11.428 -0.626 6.974 190 HG2 GLU 93 HG2 GLU 93 13.695 -1.525 6.494 191 HG3 GLU 93 HG3 GLU 93 13.247 -1.709 8.186 192 H GLN 94 H GLN 94 8.656 -2.461 6.099 193 HA GLN 94 HA GLN 94 7.280 -0.167 7.029 194 HB2 GLN 94 HB2 GLN 94 6.422 -2.493 5.301 195 HB3 GLN 94 HB3 GLN 94 5.364 -1.127 5.655 196 HG2 GLN 94 HG2 GLN 94 8.129 -0.849 4.443 197 HG3 GLN 94 HG3 GLN 94 6.644 -0.894 3.495 198 HE21 GLN 94 HE21 GLN 94 4.902 0.786 4.448 199 HE22 GLN 94 HE22 GLN 94 5.529 2.323 4.805 200 H GLU 95 H GLU 95 6.960 -3.602 7.738 201 HA GLU 95 HA GLU 95 4.674 -3.146 9.489 202 HB2 GLU 95 HB2 GLU 95 6.266 -5.648 8.882 203 HB3 GLU 95 HB3 GLU 95 4.793 -5.589 9.853 204 HG2 GLU 95 HG2 GLU 95 4.978 -4.651 6.978 205 HG3 GLU 95 HG3 GLU 95 4.391 -6.241 7.463 206 H ALA 96 H ALA 96 8.028 -2.920 9.711 207 HA ALA 96 HA ALA 96 9.421 -2.544 11.499 208 HB1 ALA 96 HB1 ALA 96 8.522 -1.728 13.493 209 HB2 ALA 96 HB2 ALA 96 7.102 -2.772 13.401 210 HB3 ALA 96 HB3 ALA 96 7.241 -1.374 12.336 211 H ARG 97 H ARG 97 8.515 -5.257 10.584 212 HA ARG 97 HA ARG 97 8.608 -6.933 12.940 213 HB2 ARG 97 HB2 ARG 97 8.711 -7.559 9.983 214 HB3 ARG 97 HB3 ARG 97 8.689 -8.783 11.253 215 HG2 ARG 97 HG2 ARG 97 6.529 -8.041 12.030 216 HG3 ARG 97 HG3 ARG 97 6.568 -6.639 10.961 217 HD2 ARG 97 HD2 ARG 97 5.178 -8.348 9.943 218 HD3 ARG 97 HD3 ARG 97 6.659 -8.197 9.004 219 HE ARG 97 HE ARG 97 5.918 -10.438 10.761 220 HH11 ARG 97 HH21 ARG 97 8.267 -8.882 8.738 221 HH12 ARG 97 HH22 ARG 97 9.173 -10.329 8.453 222 HH21 ARG 97 HH11 ARG 97 7.107 -12.326 10.387 223 HH22 ARG 97 HH12 ARG 97 8.518 -12.276 9.385 224 H GLU 98 H GLU 98 10.488 -8.047 10.291 225 HA GLU 98 HA GLU 98 12.828 -8.280 11.978 226 HB2 GLU 98 HB2 GLU 98 12.303 -9.039 9.098 227 HB3 GLU 98 HB3 GLU 98 13.827 -9.344 9.931 228 HG2 GLU 98 HG2 GLU 98 12.642 -10.676 11.631 229 HG3 GLU 98 HG3 GLU 98 11.112 -10.363 10.812 230 H VAL 99 H VAL 99 13.377 -6.091 12.343 231 HA VAL 99 HA VAL 99 14.116 -4.427 10.058 232 HB VAL 99 HB VAL 99 14.712 -3.642 12.888 233 HG11 VAL 99 HG11 VAL 99 14.174 -1.453 12.080 234 HG12 VAL 99 HG12 VAL 99 13.396 -2.098 10.636 235 HG13 VAL 99 HG13 VAL 99 15.141 -2.220 10.825 236 HG21 VAL 99 HG21 VAL 99 12.292 -2.856 13.048 237 HG22 VAL 99 HG22 VAL 99 12.512 -4.602 13.168 238 HG23 VAL 99 HG23 VAL 99 11.943 -3.886 11.659 239 H ASN 100 H ASN 100 16.206 -3.694 9.651 240 HA ASN 100 HA ASN 100 18.314 -5.511 10.405 241 HB2 ASN 100 HB2 ASN 100 18.420 -2.919 8.846 242 HB3 ASN 100 HB3 ASN 100 19.741 -4.064 9.006 243 HD21 ASN 100 HD21 ASN 100 17.768 -3.158 6.685 244 HD22 ASN 100 HD22 ASN 100 17.358 -4.644 5.975 245 H SER 101 H SER 101 19.949 -5.136 11.783 246 HA SER 101 HA SER 101 19.623 -3.620 14.070 247 HB2 SER 101 HB2 SER 101 21.274 -5.448 13.866 248 HB3 SER 101 HB3 SER 101 22.244 -4.449 12.788 249 HG SER 101 HG SER 101 21.479 -3.432 15.287 250 H GLN 102 H GLN 102 21.258 -2.743 11.045 251 HA GLN 102 HA GLN 102 22.229 -0.235 12.022 252 HB2 GLN 102 HB2 GLN 102 22.818 0.219 9.742 253 HB3 GLN 102 HB3 GLN 102 23.116 -1.498 10.014 254 HG2 GLN 102 HG2 GLN 102 20.734 -1.879 9.118 255 HG3 GLN 102 HG3 GLN 102 20.811 -0.208 8.561 256 HE21 GLN 102 HE21 GLN 102 20.576 -1.503 6.386 257 HE22 GLN 102 HE22 GLN 102 22.031 -1.958 5.637 258 H GLU 103 H GLU 103 19.359 -1.254 10.203 259 HA GLU 103 HA GLU 103 18.249 1.329 9.801 260 HB2 GLU 103 HB2 GLU 103 16.998 -1.405 9.821 261 HB3 GLU 103 HB3 GLU 103 16.104 0.057 9.427 262 HG2 GLU 103 HG2 GLU 103 18.644 -0.775 8.007 263 HG3 GLU 103 HG3 GLU 103 17.033 -1.183 7.425 264 H GLU 104 H GLU 104 18.259 -0.814 12.518 265 HA GLU 104 HA GLU 104 15.946 0.036 13.855 266 HB2 GLU 104 HB2 GLU 104 18.582 -1.052 14.833 267 HB3 GLU 104 HB3 GLU 104 17.302 -0.609 15.957 268 HG2 GLU 104 HG2 GLU 104 16.776 -2.441 13.619 269 HG3 GLU 104 HG3 GLU 104 17.381 -3.062 15.153 270 H GLU 105 H GLU 105 19.103 1.567 13.510 271 HA GLU 105 HA GLU 105 18.901 3.369 15.668 272 HB2 GLU 105 HB2 GLU 105 20.624 4.631 14.575 273 HB3 GLU 105 HB3 GLU 105 20.940 2.939 14.220 274 HG2 GLU 105 HG2 GLU 105 21.166 3.889 12.094 275 HG3 GLU 105 HG3 GLU 105 19.485 3.390 12.073 276 H GLU 106 H GLU 106 17.795 3.624 12.298 277 HA GLU 106 HA GLU 106 16.684 6.245 12.593 278 HB2 GLU 106 HB2 GLU 106 17.398 5.310 10.407 279 HB3 GLU 106 HB3 GLU 106 16.077 4.146 10.503 280 HG2 GLU 106 HG2 GLU 106 14.438 5.965 10.576 281 HG3 GLU 106 HG3 GLU 106 15.735 7.159 10.566 282 H GLU 107 H GLU 107 15.503 2.967 12.922 283 HA GLU 107 HA GLU 107 12.746 3.430 12.896 284 HB2 GLU 107 HB2 GLU 107 13.949 1.192 12.907 285 HB3 GLU 107 HB3 GLU 107 14.122 1.395 14.650 286 HG2 GLU 107 HG2 GLU 107 12.123 0.119 14.334 287 HG3 GLU 107 HG3 GLU 107 11.600 1.752 14.728 288 H GLU 108 H GLU 108 15.104 3.770 15.511 289 HA GLU 108 HA GLU 108 13.285 4.067 17.643 290 HB2 GLU 108 HB2 GLU 108 16.071 5.163 17.209 291 HB3 GLU 108 HB3 GLU 108 15.189 5.343 18.724 292 HG2 GLU 108 HG2 GLU 108 15.020 2.922 18.959 293 HG3 GLU 108 HG3 GLU 108 15.787 2.688 17.389 294 H LEU 109 H LEU 109 14.659 6.440 15.384 295 HA LEU 109 HA LEU 109 13.558 8.746 16.608 296 HB2 LEU 109 HB2 LEU 109 14.553 8.118 13.836 297 HB3 LEU 109 HB3 LEU 109 13.799 9.675 14.185 298 HG LEU 109 HG LEU 109 15.430 10.104 15.957 299 HD11 LEU 109 HD11 LEU 109 15.890 7.947 16.836 300 HD12 LEU 109 HD12 LEU 109 17.403 8.457 16.087 301 HD13 LEU 109 HD13 LEU 109 16.349 7.313 15.256 302 HD21 LEU 109 HD21 LEU 109 17.405 10.380 14.564 303 HD22 LEU 109 HD22 LEU 109 15.976 10.674 13.573 304 HD23 LEU 109 HD23 LEU 109 16.837 9.139 13.447 305 H LEU 110 H LEU 110 12.337 6.514 14.157 306 HA LEU 110 HA LEU 110 10.007 7.943 13.460 307 HB2 LEU 110 HB2 LEU 110 10.770 5.033 13.347 308 HB3 LEU 110 HB3 LEU 110 9.172 5.575 12.837 309 HG LEU 110 HG LEU 110 11.630 6.950 11.741 310 HD11 LEU 110 HD11 LEU 110 10.589 4.213 11.029 311 HD12 LEU 110 HD12 LEU 110 12.252 4.796 11.093 312 HD13 LEU 110 HD13 LEU 110 11.217 5.247 9.744 313 HD21 LEU 110 HD21 LEU 110 10.092 7.253 9.787 314 HD22 LEU 110 HD22 LEU 110 9.419 7.936 11.263 315 HD23 LEU 110 HD23 LEU 110 8.841 6.383 10.668 316 H ARG 111 H ARG 111 10.596 5.522 15.996 317 HA ARG 111 HA ARG 111 7.922 5.268 16.839 318 HB2 ARG 111 HB2 ARG 111 10.598 4.740 18.072 319 HB3 ARG 111 HB3 ARG 111 9.222 4.818 19.168 320 HG2 ARG 111 HG2 ARG 111 9.397 2.537 18.572 321 HG3 ARG 111 HG3 ARG 111 8.075 3.140 17.582 322 HD2 ARG 111 HD2 ARG 111 9.695 3.482 15.712 323 HD3 ARG 111 HD3 ARG 111 10.949 2.765 16.722 324 HE ARG 111 HE ARG 111 8.787 1.354 15.391 325 HH11 ARG 111 HH21 ARG 111 11.192 1.375 17.870 326 HH12 ARG 111 HH22 ARG 111 11.264 -0.350 18.012 327 HH21 ARG 111 HH11 ARG 111 8.870 -0.914 15.568 328 HH22 ARG 111 HH12 ARG 111 9.948 -1.647 16.708 329 H LYS 112 H LYS 112 10.475 7.530 17.841 330 HA LYS 112 HA LYS 112 8.969 8.792 19.875 331 HB2 LYS 112 HB2 LYS 112 11.227 9.811 18.146 332 HB3 LYS 112 HB3 LYS 112 10.561 10.704 19.516 333 HG2 LYS 112 HG2 LYS 112 11.077 8.799 21.002 334 HG3 LYS 112 HG3 LYS 112 11.774 7.929 19.634 335 HD2 LYS 112 HD2 LYS 112 13.406 9.781 19.324 336 HD3 LYS 112 HD3 LYS 112 12.744 10.572 20.756 337 HE2 LYS 112 HE2 LYS 112 13.984 7.804 20.700 338 HE3 LYS 112 HE3 LYS 112 14.764 9.262 21.316 339 HZ1 LYS 112 HZ1 LYS 112 12.411 7.839 22.399 340 HZ2 LYS 112 HZ2 LYS 112 12.734 9.457 22.808 341 HZ3 LYS 112 HZ3 LYS 112 13.859 8.240 23.185 342 H ALA 113 H ALA 113 9.290 9.460 16.405 343 HA ALA 113 HA ALA 113 7.805 11.863 16.350 344 HB1 ALA 113 HB1 ALA 113 7.566 11.423 13.946 345 HB2 ALA 113 HB2 ALA 113 8.114 9.764 14.192 346 HB3 ALA 113 HB3 ALA 113 9.215 11.109 14.486 347 H ILE 114 H ILE 114 6.804 8.481 15.954 348 HA ILE 114 HA ILE 114 4.063 9.100 15.437 349 HB ILE 114 HB ILE 114 5.597 6.587 16.060 350 HG12 ILE 114 HG12 ILE 114 4.341 5.897 13.914 351 HG13 ILE 114 HG13 ILE 114 3.883 7.585 13.763 352 HG21 ILE 114 HG21 ILE 114 3.672 6.140 17.366 353 HG22 ILE 114 HG22 ILE 114 3.327 5.382 15.813 354 HG23 ILE 114 HG23 ILE 114 2.601 6.938 16.218 355 HD11 ILE 114 HD11 ILE 114 5.857 7.302 12.458 356 HD12 ILE 114 HD12 ILE 114 6.660 6.401 13.739 357 HD13 ILE 114 HD13 ILE 114 6.374 8.129 13.924 358 H ALA 115 H ALA 115 5.891 8.272 18.348 359 HA ALA 115 HA ALA 115 3.704 7.945 20.083 360 HB1 ALA 115 HB1 ALA 115 6.008 7.321 20.693 361 HB2 ALA 115 HB2 ALA 115 5.328 8.430 21.884 362 HB3 ALA 115 HB3 ALA 115 6.477 9.021 20.685 363 H GLU 116 H GLU 116 5.536 10.845 19.155 364 HA GLU 116 HA GLU 116 4.166 12.630 20.886 365 HB2 GLU 116 HB2 GLU 116 5.728 13.050 18.337 366 HB3 GLU 116 HB3 GLU 116 5.049 14.379 19.280 367 HG2 GLU 116 HG2 GLU 116 6.346 13.769 21.216 368 HG3 GLU 116 HG3 GLU 116 6.879 12.273 20.453 369 H SER 117 H SER 117 3.627 11.596 17.539 370 HA SER 117 HA SER 117 1.543 13.407 16.939 371 HB2 SER 117 HB2 SER 117 1.005 11.880 15.103 372 HB3 SER 117 HB3 SER 117 2.749 12.108 15.225 373 HG SER 117 HG SER 117 1.442 9.849 15.263 374 H LEU 118 H LEU 118 1.542 10.194 18.410 375 HA LEU 118 HA LEU 118 -1.261 9.809 18.417 376 HB2 LEU 118 HB2 LEU 118 0.949 8.696 20.145 377 HB3 LEU 118 HB3 LEU 118 -0.729 8.184 20.293 378 HG LEU 118 HG LEU 118 0.801 8.100 17.675 379 HD11 LEU 118 HD11 LEU 118 0.888 5.590 18.189 380 HD12 LEU 118 HD12 LEU 118 0.505 6.025 19.854 381 HD13 LEU 118 HD13 LEU 118 1.990 6.614 19.110 382 HD21 LEU 118 HD21 LEU 118 -1.468 7.927 17.114 383 HD22 LEU 118 HD22 LEU 118 -1.893 7.128 18.626 384 HD23 LEU 118 HD23 LEU 118 -1.061 6.233 17.360 385 H ASN 119 H ASN 119 0.945 11.359 20.706 386 HA ASN 119 HA ASN 119 -1.136 11.804 22.669 387 HB2 ASN 119 HB2 ASN 119 1.703 12.805 22.401 388 HB3 ASN 119 HB3 ASN 119 0.646 13.245 23.740 389 HD21 ASN 119 HD21 ASN 119 3.086 11.699 24.073 390 HD22 ASN 119 HD22 ASN 119 2.638 10.159 24.625 391 H SER 120 H SER 120 -0.045 13.351 19.824 392 HA SER 120 HA SER 120 -1.019 15.999 20.561 393 HB2 SER 120 HB2 SER 120 0.963 15.845 19.143 394 HB3 SER 120 HB3 SER 120 0.062 14.920 17.946 395 HG SER 120 HG SER 120 -0.944 17.392 18.796 396 H CYS 121 H CYS 121 -2.736 17.067 19.451 397 HA CYS 121 HA CYS 121 -5.013 15.379 18.963 398 HB2 CYS 121 HB2 CYS 121 -5.271 17.591 20.003 399 HB3 CYS 121 HB3 CYS 121 -4.639 18.357 18.545 400 HG CYS 121 HG CYS 121 -7.247 16.645 18.384 401 H ARG 122 H ARG 122 -5.977 14.847 17.028 402 HA ARG 122 HA ARG 122 -4.336 14.730 14.757 403 HB2 ARG 122 HB2 ARG 122 -7.300 14.303 15.088 404 HB3 ARG 122 HB3 ARG 122 -6.429 13.976 13.588 405 HG2 ARG 122 HG2 ARG 122 -4.873 12.487 14.925 406 HG3 ARG 122 HG3 ARG 122 -5.972 12.684 16.290 407 HD2 ARG 122 HD2 ARG 122 -6.817 11.650 13.577 408 HD3 ARG 122 HD3 ARG 122 -6.393 10.609 14.933 409 HE ARG 122 HE ARG 122 -8.811 12.218 14.657 410 HH11 ARG 122 HH21 ARG 122 -6.690 10.396 16.695 411 HH12 ARG 122 HH22 ARG 122 -7.889 10.096 17.908 412 HH21 ARG 122 HH11 ARG 122 -10.387 11.832 16.245 413 HH22 ARG 122 HH12 ARG 122 -9.983 10.908 17.654 414 HA PRO 123 HA PRO 123 -4.931 18.939 13.160 415 HB2 PRO 123 HB2 PRO 123 -4.379 17.624 10.521 416 HB3 PRO 123 HB3 PRO 123 -3.627 19.061 11.245 417 HG2 PRO 123 HG2 PRO 123 -2.348 16.736 11.164 418 HG3 PRO 123 HG3 PRO 123 -2.207 17.811 12.570 419 HD2 PRO 123 HD2 PRO 123 -3.776 15.266 12.287 420 HD3 PRO 123 HD3 PRO 123 -2.917 15.936 13.696 421 H SER 124 H SER 124 -6.576 20.077 12.122 422 HA SER 124 HA SER 124 -9.057 18.770 11.692 423 HB2 SER 124 HB2 SER 124 -8.974 21.107 12.372 424 HB3 SER 124 HB3 SER 124 -8.117 21.538 10.895 425 HG SER 124 HG SER 124 -10.683 21.510 11.234 426 H ASP 125 H ASP 125 -10.059 18.087 9.841 427 HA ASP 125 HA ASP 125 -8.387 17.653 7.514 428 HB2 ASP 125 HB2 ASP 125 -10.469 16.522 6.638 429 HB3 ASP 125 HB3 ASP 125 -9.830 15.853 8.138 430 H ALA 126 H ALA 126 -8.763 18.430 5.432 431 HA ALA 126 HA ALA 126 -9.746 21.106 5.263 432 HB1 ALA 126 HB1 ALA 126 -9.287 20.846 2.825 433 HB2 ALA 126 HB2 ALA 126 -8.908 19.148 3.114 434 HB3 ALA 126 HB3 ALA 126 -7.913 20.410 3.841 435 H SER 127 H SER 127 -11.189 18.007 4.910 436 HA SER 127 HA SER 127 -13.330 18.810 3.168 437 HB2 SER 127 HB2 SER 127 -14.266 16.624 3.650 438 HB3 SER 127 HB3 SER 127 -12.533 16.457 3.382 439 HG SER 127 HG SER 127 -13.360 16.973 5.984 440 H ALA 128 H ALA 128 -12.654 19.232 6.477 441 HA ALA 128 HA ALA 128 -13.835 20.378 8.088 442 HB1 ALA 128 HB1 ALA 128 -14.957 21.403 5.916 443 HB2 ALA 128 HB2 ALA 128 -15.674 21.666 7.507 444 HB3 ALA 128 HB3 ALA 128 -16.338 20.434 6.433 445 H THR 129 H THR 129 -14.228 17.375 7.073 446 HA THR 129 HA THR 129 -16.667 16.619 8.418 447 HB THR 129 HB THR 129 -15.986 14.330 7.897 448 HG1 THR 129 HG1 THR 129 -13.683 14.908 8.270 449 HG21 THR 129 HG21 THR 129 -15.581 16.380 5.711 450 HG22 THR 129 HG22 THR 129 -17.052 15.485 6.093 451 HG23 THR 129 HG23 THR 129 -15.667 14.647 5.394 452 H ARG 130 H ARG 130 -16.770 15.221 10.265 453 HA ARG 130 HA ARG 130 -14.956 16.018 12.353 454 HB2 ARG 130 HB2 ARG 130 -16.404 14.219 13.632 455 HB3 ARG 130 HB3 ARG 130 -17.119 15.762 13.174 456 HG2 ARG 130 HG2 ARG 130 -17.278 13.548 11.152 457 HG3 ARG 130 HG3 ARG 130 -18.300 13.401 12.578 458 HD2 ARG 130 HD2 ARG 130 -19.443 15.418 12.111 459 HD3 ARG 130 HD3 ARG 130 -18.217 15.954 10.969 460 HE ARG 130 HE ARG 130 -19.352 13.532 10.046 461 HH11 ARG 130 HH21 ARG 130 -20.092 16.868 10.575 462 HH12 ARG 130 HH22 ARG 130 -21.273 16.952 9.311 463 HH21 ARG 130 HH11 ARG 130 -20.902 13.633 8.382 464 HH22 ARG 130 HH12 ARG 130 -21.732 15.119 8.070 465 H SER 131 H SER 131 -13.519 14.724 13.503 466 HA SER 131 HA SER 131 -11.828 13.171 13.675 467 HB2 SER 131 HB2 SER 131 -12.551 10.908 13.771 468 HB3 SER 131 HB3 SER 131 -13.932 11.870 14.289 469 HG SER 131 HG SER 131 -14.424 10.241 12.696 Start of MODEL 17 1 H1 GLY -4 H1 GLY -4 0.445 -23.279 11.089 2 H2 GLY -4 H2 GLY -4 -0.885 -23.635 10.093 3 H3 GLY -4 H3 GLY -4 -0.828 -22.166 10.945 4 HA2 GLY -4 HA2 GLY -4 -0.291 -22.022 8.510 5 HA3 GLY -4 HA3 GLY -4 0.898 -21.320 9.610 6 HA PRO -3 HA PRO -3 3.014 -24.296 6.636 7 HB2 PRO -3 HB2 PRO -3 5.038 -22.096 6.931 8 HB3 PRO -3 HB3 PRO -3 4.526 -22.967 5.469 9 HG2 PRO -3 HG2 PRO -3 3.700 -20.495 5.898 10 HG3 PRO -3 HG3 PRO -3 2.581 -21.711 5.252 11 HD2 PRO -3 HD2 PRO -3 2.785 -20.640 8.057 12 HD3 PRO -3 HD3 PRO -3 1.332 -21.017 7.099 13 H LEU -2 H LEU -2 4.435 -25.864 7.323 14 HA LEU -2 HA LEU -2 5.946 -25.382 9.832 15 HB2 LEU -2 HB2 LEU -2 4.047 -26.835 10.316 16 HB3 LEU -2 HB3 LEU -2 4.497 -27.907 8.994 17 HG LEU -2 HG LEU -2 6.631 -28.430 10.133 18 HD11 LEU -2 HD11 LEU -2 6.671 -27.639 12.643 19 HD12 LEU -2 HD12 LEU -2 5.615 -26.351 12.064 20 HD13 LEU -2 HD13 LEU -2 7.230 -26.539 11.383 21 HD21 LEU -2 HD21 LEU -2 4.436 -29.654 10.619 22 HD22 LEU -2 HD22 LEU -2 4.370 -28.723 12.115 23 HD23 LEU -2 HD23 LEU -2 5.712 -29.830 11.824 24 H GLY -1 H GLY -1 8.039 -25.561 9.571 25 HA2 GLY -1 HA2 GLY -1 10.055 -26.589 8.979 26 HA3 GLY -1 HA3 GLY -1 9.180 -27.628 7.856 27 H SER 0 H SER 0 11.507 -25.473 7.862 28 HA SER 0 HA SER 0 10.722 -23.586 5.872 29 HB2 SER 0 HB2 SER 0 13.435 -24.497 6.832 30 HB3 SER 0 HB3 SER 0 13.197 -23.201 5.664 31 HG SER 0 HG SER 0 13.192 -22.958 8.231 32 H ARG 74 H ARG 74 11.558 -26.870 5.792 33 HA ARG 74 HA ARG 74 12.779 -27.057 3.249 34 HB2 ARG 74 HB2 ARG 74 11.119 -29.061 4.798 35 HB3 ARG 74 HB3 ARG 74 12.067 -29.445 3.363 36 HG2 ARG 74 HG2 ARG 74 13.368 -28.115 5.739 37 HG3 ARG 74 HG3 ARG 74 13.130 -29.859 5.713 38 HD2 ARG 74 HD2 ARG 74 14.367 -29.976 3.561 39 HD3 ARG 74 HD3 ARG 74 14.659 -28.243 3.648 40 HE ARG 74 HE ARG 74 15.590 -29.287 6.040 41 HH11 ARG 74 HH21 ARG 74 16.155 -29.677 2.650 42 HH12 ARG 74 HH22 ARG 74 17.829 -30.084 2.832 43 HH21 ARG 74 HH11 ARG 74 17.789 -29.816 6.290 44 HH22 ARG 74 HH12 ARG 74 18.753 -30.163 4.895 45 H LYS 75 H LYS 75 9.478 -26.634 4.250 46 HA LYS 75 HA LYS 75 8.400 -27.397 1.655 47 HB2 LYS 75 HB2 LYS 75 7.028 -26.139 4.037 48 HB3 LYS 75 HB3 LYS 75 6.229 -26.846 2.638 49 HG2 LYS 75 HG2 LYS 75 8.057 -28.402 4.487 50 HG3 LYS 75 HG3 LYS 75 6.306 -28.351 4.664 51 HD2 LYS 75 HD2 LYS 75 6.141 -29.209 2.281 52 HD3 LYS 75 HD3 LYS 75 7.883 -29.468 2.330 53 HE2 LYS 75 HE2 LYS 75 7.636 -30.943 4.273 54 HE3 LYS 75 HE3 LYS 75 5.890 -30.691 4.248 55 HZ1 LYS 75 HZ1 LYS 75 7.082 -32.699 2.998 56 HZ2 LYS 75 HZ2 LYS 75 7.107 -31.547 1.750 57 HZ3 LYS 75 HZ3 LYS 75 5.631 -32.008 2.455 58 H ILE 76 H ILE 76 9.884 -24.742 2.893 59 HA ILE 76 HA ILE 76 8.304 -22.747 1.455 60 HB ILE 76 HB ILE 76 10.887 -22.440 3.003 61 HG12 ILE 76 HG12 ILE 76 8.028 -21.757 3.774 62 HG13 ILE 76 HG13 ILE 76 8.889 -23.186 4.340 63 HG21 ILE 76 HG21 ILE 76 10.196 -20.013 2.971 64 HG22 ILE 76 HG22 ILE 76 8.928 -20.444 1.824 65 HG23 ILE 76 HG23 ILE 76 10.623 -20.648 1.383 66 HD11 ILE 76 HD11 ILE 76 10.717 -21.401 5.080 67 HD12 ILE 76 HD12 ILE 76 9.307 -21.713 6.091 68 HD13 ILE 76 HD13 ILE 76 9.338 -20.303 5.036 69 H ALA 77 H ALA 77 8.660 -22.181 -0.576 70 HA ALA 77 HA ALA 77 10.755 -23.340 -2.136 71 HB1 ALA 77 HB1 ALA 77 9.806 -22.157 -3.980 72 HB2 ALA 77 HB2 ALA 77 9.018 -20.993 -2.914 73 HB3 ALA 77 HB3 ALA 77 8.453 -22.664 -2.965 74 H GLN 78 H GLN 78 12.457 -22.224 -3.246 75 HA GLN 78 HA GLN 78 13.954 -20.469 -1.622 76 HB2 GLN 78 HB2 GLN 78 14.187 -21.021 -4.591 77 HB3 GLN 78 HB3 GLN 78 15.413 -20.222 -3.607 78 HG2 GLN 78 HG2 GLN 78 15.620 -22.225 -2.204 79 HG3 GLN 78 HG3 GLN 78 14.361 -23.027 -3.142 80 HE21 GLN 78 HE21 GLN 78 15.863 -21.305 -5.469 81 HE22 GLN 78 HE22 GLN 78 17.069 -22.404 -5.938 82 H MET 79 H MET 79 13.993 -18.302 -1.437 83 HA MET 79 HA MET 79 11.983 -16.738 -2.809 84 HB2 MET 79 HB2 MET 79 14.137 -15.941 -0.836 85 HB3 MET 79 HB3 MET 79 12.860 -14.875 -1.425 86 HG2 MET 79 HG2 MET 79 11.155 -16.416 -0.522 87 HG3 MET 79 HG3 MET 79 12.431 -17.481 0.069 88 HE1 MET 79 HE1 MET 79 11.057 -15.996 3.348 89 HE2 MET 79 HE2 MET 79 11.550 -17.452 2.487 90 HE3 MET 79 HE3 MET 79 10.194 -16.501 1.889 91 H THR 80 H THR 80 12.258 -15.331 -4.452 92 HA THR 80 HA THR 80 14.750 -15.419 -5.933 93 HB THR 80 HB THR 80 13.553 -14.169 -7.632 94 HG1 THR 80 HG1 THR 80 12.445 -12.874 -5.975 95 HG21 THR 80 HG21 THR 80 11.755 -15.733 -8.076 96 HG22 THR 80 HG22 THR 80 11.679 -16.191 -6.374 97 HG23 THR 80 HG23 THR 80 13.089 -16.622 -7.340 98 H GLU 82 H GLU 82 15.621 -13.291 -6.826 99 HA GLU 82 HA GLU 82 16.567 -11.697 -4.716 100 HB2 GLU 82 HB2 GLU 82 17.705 -11.891 -6.899 101 HB3 GLU 82 HB3 GLU 82 16.379 -11.017 -7.666 102 HG2 GLU 82 HG2 GLU 82 17.802 -9.764 -5.321 103 HG3 GLU 82 HG3 GLU 82 18.559 -9.717 -6.911 104 H GLU 83 H GLU 83 13.950 -11.137 -7.067 105 HA GLU 83 HA GLU 83 13.262 -8.538 -6.178 106 HB2 GLU 83 HB2 GLU 83 12.528 -9.486 -8.338 107 HB3 GLU 83 HB3 GLU 83 11.506 -10.636 -7.477 108 HG2 GLU 83 HG2 GLU 83 10.209 -8.799 -6.502 109 HG3 GLU 83 HG3 GLU 83 11.262 -7.620 -7.284 110 H GLN 84 H GLN 84 11.999 -11.755 -5.319 111 HA GLN 84 HA GLN 84 10.036 -10.838 -3.500 112 HB2 GLN 84 HB2 GLN 84 11.365 -13.454 -4.077 113 HB3 GLN 84 HB3 GLN 84 10.495 -13.307 -2.552 114 HG2 GLN 84 HG2 GLN 84 9.096 -14.173 -4.463 115 HG3 GLN 84 HG3 GLN 84 8.449 -12.730 -3.687 116 HE21 GLN 84 HE21 GLN 84 8.282 -10.808 -4.949 117 HE22 GLN 84 HE22 GLN 84 8.708 -10.741 -6.591 118 H PHE 85 H PHE 85 13.426 -11.744 -3.084 119 HA PHE 85 HA PHE 85 13.501 -11.656 -0.276 120 HB2 PHE 85 HB2 PHE 85 15.309 -12.630 -1.593 121 HB3 PHE 85 HB3 PHE 85 15.686 -11.049 -2.280 122 HD1 PHE 85 HD1 PHE 85 15.405 -12.882 0.959 123 HD2 PHE 85 HD2 PHE 85 17.142 -9.567 -1.149 124 HE1 PHE 85 HE1 PHE 85 16.837 -12.386 2.920 125 HE2 PHE 85 HE2 PHE 85 18.575 -9.071 0.813 126 HZ PHE 85 HZ PHE 85 18.423 -10.482 2.848 127 H ALA 86 H ALA 86 14.209 -9.122 -2.688 128 HA ALA 86 HA ALA 86 14.875 -7.089 -0.850 129 HB1 ALA 86 HB1 ALA 86 15.280 -7.031 -3.331 130 HB2 ALA 86 HB2 ALA 86 14.564 -5.555 -2.683 131 HB3 ALA 86 HB3 ALA 86 13.558 -6.717 -3.549 132 H LEU 87 H LEU 87 11.787 -8.071 -2.266 133 HA LEU 87 HA LEU 87 10.213 -5.980 -1.195 134 HB2 LEU 87 HB2 LEU 87 9.541 -8.787 -2.079 135 HB3 LEU 87 HB3 LEU 87 8.319 -7.633 -1.552 136 HG LEU 87 HG LEU 87 10.313 -7.036 -3.758 137 HD11 LEU 87 HD11 LEU 87 8.412 -7.518 -5.312 138 HD12 LEU 87 HD12 LEU 87 7.495 -8.141 -3.942 139 HD13 LEU 87 HD13 LEU 87 8.977 -8.950 -4.452 140 HD21 LEU 87 HD21 LEU 87 8.267 -5.443 -4.330 141 HD22 LEU 87 HD22 LEU 87 9.424 -4.968 -3.096 142 HD23 LEU 87 HD23 LEU 87 7.874 -5.661 -2.626 143 H ALA 88 H ALA 88 11.143 -9.148 0.066 144 HA ALA 88 HA ALA 88 9.449 -9.202 2.307 145 HB1 ALA 88 HB1 ALA 88 10.997 -10.847 3.220 146 HB2 ALA 88 HB2 ALA 88 12.245 -10.345 2.080 147 HB3 ALA 88 HB3 ALA 88 10.782 -11.138 1.495 148 H LEU 89 H LEU 89 12.702 -7.847 1.880 149 HA LEU 89 HA LEU 89 13.073 -7.064 4.583 150 HB2 LEU 89 HB2 LEU 89 14.280 -6.016 2.015 151 HB3 LEU 89 HB3 LEU 89 14.819 -5.538 3.624 152 HG LEU 89 HG LEU 89 14.743 -8.404 2.631 153 HD11 LEU 89 HD11 LEU 89 16.404 -7.282 1.334 154 HD12 LEU 89 HD12 LEU 89 17.278 -8.094 2.634 155 HD13 LEU 89 HD13 LEU 89 16.969 -6.360 2.729 156 HD21 LEU 89 HD21 LEU 89 16.469 -8.488 4.667 157 HD22 LEU 89 HD22 LEU 89 14.739 -8.604 4.957 158 HD23 LEU 89 HD23 LEU 89 15.568 -7.069 5.202 159 H LYS 90 H LYS 90 11.723 -5.407 1.762 160 HA LYS 90 HA LYS 90 11.429 -2.859 2.952 161 HB2 LYS 90 HB2 LYS 90 9.940 -4.214 0.695 162 HB3 LYS 90 HB3 LYS 90 9.675 -2.533 1.159 163 HG2 LYS 90 HG2 LYS 90 12.053 -2.035 0.771 164 HG3 LYS 90 HG3 LYS 90 12.341 -3.719 0.331 165 HD2 LYS 90 HD2 LYS 90 10.736 -3.495 -1.541 166 HD3 LYS 90 HD3 LYS 90 10.488 -1.802 -1.113 167 HE2 LYS 90 HE2 LYS 90 13.161 -3.013 -1.873 168 HE3 LYS 90 HE3 LYS 90 12.138 -2.077 -2.962 169 HZ1 LYS 90 HZ1 LYS 90 12.733 -0.167 -2.000 170 HZ2 LYS 90 HZ2 LYS 90 14.043 -1.044 -1.365 171 HZ3 LYS 90 HZ3 LYS 90 12.647 -0.800 -0.428 172 H MET 91 H MET 91 9.294 -5.686 2.831 173 HA MET 91 HA MET 91 7.036 -4.458 4.009 174 HB2 MET 91 HB2 MET 91 7.948 -7.337 3.910 175 HB3 MET 91 HB3 MET 91 6.402 -6.835 4.594 176 HG2 MET 91 HG2 MET 91 5.710 -5.876 2.476 177 HG3 MET 91 HG3 MET 91 7.301 -6.170 1.778 178 HE1 MET 91 HE1 MET 91 4.189 -7.429 3.299 179 HE2 MET 91 HE2 MET 91 5.062 -8.724 4.110 180 HE3 MET 91 HE3 MET 91 3.971 -9.105 2.781 181 H SER 92 H SER 92 9.814 -6.160 5.405 182 HA SER 92 HA SER 92 8.893 -6.255 8.064 183 HB2 SER 92 HB2 SER 92 11.249 -6.561 8.670 184 HB3 SER 92 HB3 SER 92 10.836 -7.534 7.262 185 HG SER 92 HG SER 92 11.759 -5.926 5.961 186 H GLU 93 H GLU 93 10.614 -3.747 6.264 187 HA GLU 93 HA GLU 93 11.074 -2.049 8.507 188 HB2 GLU 93 HB2 GLU 93 10.934 -1.468 5.538 189 HB3 GLU 93 HB3 GLU 93 11.424 -0.285 6.748 190 HG2 GLU 93 HG2 GLU 93 12.782 -2.954 6.258 191 HG3 GLU 93 HG3 GLU 93 13.385 -1.392 5.714 192 H GLN 94 H GLN 94 8.453 -2.379 6.182 193 HA GLN 94 HA GLN 94 7.014 -0.049 6.898 194 HB2 GLN 94 HB2 GLN 94 6.142 -2.653 5.638 195 HB3 GLN 94 HB3 GLN 94 5.053 -1.289 5.874 196 HG2 GLN 94 HG2 GLN 94 7.670 -1.131 4.358 197 HG3 GLN 94 HG3 GLN 94 6.099 -1.348 3.594 198 HE21 GLN 94 HE21 GLN 94 4.411 0.434 4.503 199 HE22 GLN 94 HE22 GLN 94 5.025 2.017 4.530 200 H GLU 95 H GLU 95 7.417 -3.071 8.499 201 HA GLU 95 HA GLU 95 4.963 -3.049 9.980 202 HB2 GLU 95 HB2 GLU 95 7.620 -4.388 10.525 203 HB3 GLU 95 HB3 GLU 95 6.177 -4.641 11.502 204 HG2 GLU 95 HG2 GLU 95 6.261 -5.092 8.516 205 HG3 GLU 95 HG3 GLU 95 6.544 -6.370 9.693 206 H ALA 96 H ALA 96 7.753 -1.134 10.132 207 HA ALA 96 HA ALA 96 8.274 0.638 11.494 208 HB1 ALA 96 HB1 ALA 96 6.024 0.001 13.374 209 HB2 ALA 96 HB2 ALA 96 5.657 0.605 11.760 210 HB3 ALA 96 HB3 ALA 96 6.644 1.568 12.856 211 H ARG 97 H ARG 97 9.362 -1.985 11.863 212 HA ARG 97 HA ARG 97 9.526 -2.600 14.657 213 HB2 ARG 97 HB2 ARG 97 11.181 -3.418 12.264 214 HB3 ARG 97 HB3 ARG 97 11.518 -3.989 13.899 215 HG2 ARG 97 HG2 ARG 97 9.300 -4.972 14.064 216 HG3 ARG 97 HG3 ARG 97 8.848 -4.297 12.500 217 HD2 ARG 97 HD2 ARG 97 10.567 -5.652 11.393 218 HD3 ARG 97 HD3 ARG 97 11.088 -6.288 12.950 219 HE ARG 97 HE ARG 97 8.359 -6.842 12.712 220 HH11 ARG 97 HH21 ARG 97 11.345 -7.584 11.129 221 HH12 ARG 97 HH22 ARG 97 10.830 -9.145 10.585 222 HH21 ARG 97 HH11 ARG 97 7.674 -8.888 12.002 223 HH22 ARG 97 HH12 ARG 97 8.751 -9.884 11.078 224 H GLU 98 H GLU 98 9.984 -0.453 15.477 225 HA GLU 98 HA GLU 98 11.400 1.084 16.416 226 HB2 GLU 98 HB2 GLU 98 12.677 -1.172 16.788 227 HB3 GLU 98 HB3 GLU 98 13.761 -0.565 15.538 228 HG2 GLU 98 HG2 GLU 98 14.684 0.142 17.635 229 HG3 GLU 98 HG3 GLU 98 13.953 1.572 16.910 230 H VAL 99 H VAL 99 10.873 0.820 13.361 231 HA VAL 99 HA VAL 99 13.130 2.303 12.247 232 HB VAL 99 HB VAL 99 10.549 1.813 10.784 233 HG11 VAL 99 HG11 VAL 99 12.515 3.095 9.807 234 HG12 VAL 99 HG12 VAL 99 12.002 1.696 8.865 235 HG13 VAL 99 HG13 VAL 99 13.439 1.595 9.883 236 HG21 VAL 99 HG21 VAL 99 11.485 -0.444 10.161 237 HG22 VAL 99 HG22 VAL 99 11.010 -0.324 11.853 238 HG23 VAL 99 HG23 VAL 99 12.712 -0.231 11.410 239 H ASN 100 H ASN 100 12.927 4.377 11.300 240 HA ASN 100 HA ASN 100 11.254 6.164 12.801 241 HB2 ASN 100 HB2 ASN 100 13.019 6.676 10.397 242 HB3 ASN 100 HB3 ASN 100 12.301 7.914 11.424 243 HD21 ASN 100 HD21 ASN 100 15.207 6.561 10.917 244 HD22 ASN 100 HD22 ASN 100 15.828 6.542 12.497 245 H SER 101 H SER 101 9.298 6.826 12.308 246 HA SER 101 HA SER 101 7.767 5.845 10.170 247 HB2 SER 101 HB2 SER 101 6.758 6.683 12.245 248 HB3 SER 101 HB3 SER 101 7.309 8.312 11.867 249 HG SER 101 HG SER 101 6.090 7.836 9.781 250 H GLN 102 H GLN 102 9.459 8.943 10.590 251 HA GLN 102 HA GLN 102 8.511 10.184 8.242 252 HB2 GLN 102 HB2 GLN 102 11.068 10.554 9.812 253 HB3 GLN 102 HB3 GLN 102 10.618 11.573 8.445 254 HG2 GLN 102 HG2 GLN 102 8.557 12.236 9.571 255 HG3 GLN 102 HG3 GLN 102 8.906 11.146 10.911 256 HE21 GLN 102 HE21 GLN 102 8.808 14.296 10.506 257 HE22 GLN 102 HE22 GLN 102 10.204 14.803 11.329 258 H GLU 103 H GLU 103 11.287 8.074 8.843 259 HA GLU 103 HA GLU 103 12.466 8.295 6.281 260 HB2 GLU 103 HB2 GLU 103 13.641 7.346 8.234 261 HB3 GLU 103 HB3 GLU 103 12.551 5.962 8.209 262 HG2 GLU 103 HG2 GLU 103 13.326 5.347 5.972 263 HG3 GLU 103 HG3 GLU 103 14.349 6.780 5.908 264 H GLU 104 H GLU 104 10.000 6.130 7.603 265 HA GLU 104 HA GLU 104 9.818 4.387 5.392 266 HB2 GLU 104 HB2 GLU 104 7.815 5.170 7.515 267 HB3 GLU 104 HB3 GLU 104 7.493 3.934 6.299 268 HG2 GLU 104 HG2 GLU 104 9.355 2.598 7.061 269 HG3 GLU 104 HG3 GLU 104 9.897 3.881 8.142 270 H GLU 105 H GLU 105 8.197 7.452 6.129 271 HA GLU 105 HA GLU 105 6.338 7.402 4.008 272 HB2 GLU 105 HB2 GLU 105 6.219 8.996 5.898 273 HB3 GLU 105 HB3 GLU 105 7.672 9.795 5.305 274 HG2 GLU 105 HG2 GLU 105 5.690 11.030 4.574 275 HG3 GLU 105 HG3 GLU 105 6.490 10.320 3.176 276 H GLU 106 H GLU 106 9.640 8.720 4.215 277 HA GLU 106 HA GLU 106 9.717 9.766 1.580 278 HB2 GLU 106 HB2 GLU 106 11.922 8.883 3.452 279 HB3 GLU 106 HB3 GLU 106 12.210 9.688 1.908 280 HG2 GLU 106 HG2 GLU 106 10.445 10.840 4.080 281 HG3 GLU 106 HG3 GLU 106 12.154 11.238 3.907 282 H GLU 107 H GLU 107 10.609 6.625 2.944 283 HA GLU 107 HA GLU 107 11.822 5.546 0.641 284 HB2 GLU 107 HB2 GLU 107 11.998 4.539 2.897 285 HB3 GLU 107 HB3 GLU 107 10.295 4.091 2.813 286 HG2 GLU 107 HG2 GLU 107 10.735 2.693 0.844 287 HG3 GLU 107 HG3 GLU 107 12.430 3.177 0.862 288 H GLU 108 H GLU 108 8.450 5.533 1.756 289 HA GLU 108 HA GLU 108 7.427 3.848 -0.265 290 HB2 GLU 108 HB2 GLU 108 6.155 6.012 1.416 291 HB3 GLU 108 HB3 GLU 108 5.236 5.020 0.283 292 HG2 GLU 108 HG2 GLU 108 6.980 3.860 2.469 293 HG3 GLU 108 HG3 GLU 108 5.254 4.164 2.665 294 H LEU 109 H LEU 109 7.809 7.372 -0.090 295 HA LEU 109 HA LEU 109 6.528 7.962 -2.546 296 HB2 LEU 109 HB2 LEU 109 8.624 9.435 -0.943 297 HB3 LEU 109 HB3 LEU 109 7.867 10.104 -2.386 298 HG LEU 109 HG LEU 109 6.307 9.109 0.020 299 HD11 LEU 109 HD11 LEU 109 7.748 11.019 0.633 300 HD12 LEU 109 HD12 LEU 109 6.047 11.482 0.625 301 HD13 LEU 109 HD13 LEU 109 7.092 11.944 -0.719 302 HD21 LEU 109 HD21 LEU 109 4.640 10.835 -1.167 303 HD22 LEU 109 HD22 LEU 109 4.747 9.167 -1.714 304 HD23 LEU 109 HD23 LEU 109 5.598 10.435 -2.592 305 H LEU 110 H LEU 110 9.899 7.294 -1.708 306 HA LEU 110 HA LEU 110 10.972 7.757 -4.293 307 HB2 LEU 110 HB2 LEU 110 11.941 6.108 -1.952 308 HB3 LEU 110 HB3 LEU 110 12.886 6.348 -3.419 309 HG LEU 110 HG LEU 110 11.791 8.643 -1.767 310 HD11 LEU 110 HD11 LEU 110 14.030 8.826 -0.779 311 HD12 LEU 110 HD12 LEU 110 14.560 7.407 -1.683 312 HD13 LEU 110 HD13 LEU 110 13.339 7.243 -0.422 313 HD21 LEU 110 HD21 LEU 110 12.371 9.518 -3.878 314 HD22 LEU 110 HD22 LEU 110 13.702 8.385 -4.096 315 HD23 LEU 110 HD23 LEU 110 13.867 9.733 -2.978 316 H ARG 111 H ARG 111 9.693 4.879 -2.686 317 HA ARG 111 HA ARG 111 10.426 2.985 -4.631 318 HB2 ARG 111 HB2 ARG 111 9.581 2.381 -2.389 319 HB3 ARG 111 HB3 ARG 111 7.988 2.992 -2.833 320 HG2 ARG 111 HG2 ARG 111 7.824 1.329 -4.633 321 HG3 ARG 111 HG3 ARG 111 9.446 0.748 -4.261 322 HD2 ARG 111 HD2 ARG 111 8.716 0.061 -2.030 323 HD3 ARG 111 HD3 ARG 111 7.106 0.705 -2.336 324 HE ARG 111 HE ARG 111 7.737 -1.153 -4.363 325 HH11 ARG 111 HH21 ARG 111 7.094 -0.976 -0.966 326 HH12 ARG 111 HH22 ARG 111 6.410 -2.566 -0.875 327 HH21 ARG 111 HH11 ARG 111 6.840 -3.230 -4.252 328 HH22 ARG 111 HH12 ARG 111 6.265 -3.842 -2.735 329 H LYS 112 H LYS 112 7.492 4.976 -4.305 330 HA LYS 112 HA LYS 112 6.123 3.910 -6.540 331 HB2 LYS 112 HB2 LYS 112 5.955 6.584 -5.158 332 HB3 LYS 112 HB3 LYS 112 4.862 6.105 -6.453 333 HG2 LYS 112 HG2 LYS 112 4.298 4.044 -5.093 334 HG3 LYS 112 HG3 LYS 112 5.219 4.747 -3.766 335 HD2 LYS 112 HD2 LYS 112 2.922 6.191 -5.106 336 HD3 LYS 112 HD3 LYS 112 2.702 5.150 -3.705 337 HE2 LYS 112 HE2 LYS 112 4.458 7.627 -3.825 338 HE3 LYS 112 HE3 LYS 112 2.919 7.479 -2.990 339 HZ1 LYS 112 HZ1 LYS 112 4.319 7.028 -1.285 340 HZ2 LYS 112 HZ2 LYS 112 5.524 6.363 -2.280 341 HZ3 LYS 112 HZ3 LYS 112 4.142 5.453 -1.892 342 H ALA 113 H ALA 113 8.364 6.632 -6.186 343 HA ALA 113 HA ALA 113 8.123 7.655 -8.801 344 HB1 ALA 113 HB1 ALA 113 10.083 8.903 -8.333 345 HB2 ALA 113 HB2 ALA 113 10.656 7.711 -7.166 346 HB3 ALA 113 HB3 ALA 113 9.266 8.724 -6.780 347 H ILE 114 H ILE 114 10.271 5.188 -7.432 348 HA ILE 114 HA ILE 114 11.861 4.790 -9.733 349 HB ILE 114 HB ILE 114 11.147 2.946 -7.440 350 HG12 ILE 114 HG12 ILE 114 13.747 4.372 -8.053 351 HG13 ILE 114 HG13 ILE 114 12.486 5.099 -7.058 352 HG21 ILE 114 HG21 ILE 114 11.805 1.494 -9.217 353 HG22 ILE 114 HG22 ILE 114 13.261 1.727 -8.249 354 HG23 ILE 114 HG23 ILE 114 13.058 2.610 -9.763 355 HD11 ILE 114 HD11 ILE 114 14.332 3.799 -5.822 356 HD12 ILE 114 HD12 ILE 114 13.577 2.342 -6.470 357 HD13 ILE 114 HD13 ILE 114 12.665 3.408 -5.400 358 H ALA 115 H ALA 115 8.910 3.156 -8.586 359 HA ALA 115 HA ALA 115 8.738 1.271 -10.673 360 HB1 ALA 115 HB1 ALA 115 6.610 2.529 -8.930 361 HB2 ALA 115 HB2 ALA 115 7.399 0.968 -8.703 362 HB3 ALA 115 HB3 ALA 115 6.292 1.208 -10.054 363 H GLU 116 H GLU 116 7.431 4.556 -10.352 364 HA GLU 116 HA GLU 116 5.971 4.560 -12.778 365 HB2 GLU 116 HB2 GLU 116 5.615 6.218 -10.984 366 HB3 GLU 116 HB3 GLU 116 7.209 6.899 -11.308 367 HG2 GLU 116 HG2 GLU 116 6.531 7.477 -13.590 368 HG3 GLU 116 HG3 GLU 116 4.959 6.724 -13.335 369 H SER 117 H SER 117 9.293 5.518 -11.981 370 HA SER 117 HA SER 117 9.967 6.603 -14.491 371 HB2 SER 117 HB2 SER 117 12.293 6.277 -13.791 372 HB3 SER 117 HB3 SER 117 11.330 6.918 -12.462 373 HG SER 117 HG SER 117 11.879 4.165 -12.894 374 H LEU 118 H LEU 118 10.117 3.297 -13.241 375 HA LEU 118 HA LEU 118 11.476 2.169 -15.465 376 HB2 LEU 118 HB2 LEU 118 9.667 0.969 -13.364 377 HB3 LEU 118 HB3 LEU 118 10.510 0.007 -14.576 378 HG LEU 118 HG LEU 118 11.908 1.928 -12.689 379 HD11 LEU 118 HD11 LEU 118 11.544 -1.075 -12.474 380 HD12 LEU 118 HD12 LEU 118 10.824 0.134 -11.410 381 HD13 LEU 118 HD13 LEU 118 12.572 -0.099 -11.427 382 HD21 LEU 118 HD21 LEU 118 13.826 0.201 -13.380 383 HD22 LEU 118 HD22 LEU 118 13.437 1.563 -14.418 384 HD23 LEU 118 HD23 LEU 118 12.802 -0.036 -14.795 385 H ASN 119 H ASN 119 8.064 2.691 -14.728 386 HA ASN 119 HA ASN 119 7.177 1.315 -17.130 387 HB2 ASN 119 HB2 ASN 119 5.734 2.917 -15.009 388 HB3 ASN 119 HB3 ASN 119 4.925 2.195 -16.399 389 HD21 ASN 119 HD21 ASN 119 4.371 1.386 -13.670 390 HD22 ASN 119 HD22 ASN 119 4.882 -0.223 -13.499 391 H SER 120 H SER 120 8.400 4.349 -16.374 392 HA SER 120 HA SER 120 6.867 5.898 -18.274 393 HB2 SER 120 HB2 SER 120 7.779 6.991 -16.296 394 HB3 SER 120 HB3 SER 120 9.412 6.527 -16.762 395 HG SER 120 HG SER 120 8.044 8.670 -17.492 396 H CYS 121 H CYS 121 7.558 6.652 -20.280 397 HA CYS 121 HA CYS 121 9.363 4.919 -21.702 398 HB2 CYS 121 HB2 CYS 121 8.745 6.152 -23.655 399 HB3 CYS 121 HB3 CYS 121 7.285 6.007 -22.676 400 HG CYS 121 HG CYS 121 8.969 8.620 -22.959 401 H ARG 122 H ARG 122 11.143 5.862 -23.085 402 HA ARG 122 HA ARG 122 12.996 7.172 -21.398 403 HB2 ARG 122 HB2 ARG 122 13.119 6.453 -24.321 404 HB3 ARG 122 HB3 ARG 122 14.456 7.220 -23.472 405 HG2 ARG 122 HG2 ARG 122 14.989 4.935 -23.308 406 HG3 ARG 122 HG3 ARG 122 14.207 5.256 -21.765 407 HD2 ARG 122 HD2 ARG 122 13.388 3.166 -22.839 408 HD3 ARG 122 HD3 ARG 122 12.102 4.336 -22.596 409 HE ARG 122 HE ARG 122 13.276 4.640 -25.178 410 HH11 ARG 122 HH21 ARG 122 11.175 2.640 -23.292 411 HH12 ARG 122 HH22 ARG 122 10.249 2.099 -24.650 412 HH21 ARG 122 HH11 ARG 122 12.073 3.938 -26.958 413 HH22 ARG 122 HH12 ARG 122 10.758 2.835 -26.729 414 HA PRO 123 HA PRO 123 12.304 11.499 -22.193 415 HB2 PRO 123 HB2 PRO 123 15.248 11.748 -22.721 416 HB3 PRO 123 HB3 PRO 123 14.225 12.651 -21.584 417 HG2 PRO 123 HG2 PRO 123 15.882 10.778 -20.718 418 HG3 PRO 123 HG3 PRO 123 14.271 10.966 -20.002 419 HD2 PRO 123 HD2 PRO 123 15.248 8.886 -21.938 420 HD3 PRO 123 HD3 PRO 123 14.128 8.735 -20.566 421 H SER 124 H SER 124 11.888 12.833 -23.927 422 HA SER 124 HA SER 124 12.233 11.801 -26.583 423 HB2 SER 124 HB2 SER 124 11.025 13.764 -27.295 424 HB3 SER 124 HB3 SER 124 10.260 13.150 -25.833 425 HG SER 124 HG SER 124 10.952 14.847 -24.748 426 H ASP 125 H ASP 125 13.239 13.062 -28.352 427 HA ASP 125 HA ASP 125 15.928 13.786 -27.679 428 HB2 ASP 125 HB2 ASP 125 16.160 14.246 -30.089 429 HB3 ASP 125 HB3 ASP 125 15.405 12.680 -29.795 430 H ALA 126 H ALA 126 16.774 15.723 -27.260 431 HA ALA 126 HA ALA 126 15.132 18.018 -26.894 432 HB1 ALA 126 HB1 ALA 126 17.151 19.156 -26.265 433 HB2 ALA 126 HB2 ALA 126 18.148 17.946 -27.070 434 HB3 ALA 126 HB3 ALA 126 17.239 17.517 -25.621 435 H SER 127 H SER 127 17.294 16.962 -29.471 436 HA SER 127 HA SER 127 17.210 19.465 -30.887 437 HB2 SER 127 HB2 SER 127 18.117 16.702 -31.716 438 HB3 SER 127 HB3 SER 127 18.291 18.143 -32.714 439 HG SER 127 HG SER 127 20.152 17.664 -31.418 440 H ALA 128 H ALA 128 15.132 16.761 -30.639 441 HA ALA 128 HA ALA 128 13.037 16.434 -31.538 442 HB1 ALA 128 HB1 ALA 128 13.209 19.064 -31.816 443 HB2 ALA 128 HB2 ALA 128 11.934 18.159 -32.631 444 HB3 ALA 128 HB3 ALA 128 13.367 18.661 -33.526 445 H THR 129 H THR 129 15.801 15.683 -32.742 446 HA THR 129 HA THR 129 15.401 15.328 -35.534 447 HB THR 129 HB THR 129 17.193 13.796 -33.634 448 HG1 THR 129 HG1 THR 129 17.256 16.289 -34.665 449 HG21 THR 129 HG21 THR 129 17.040 13.971 -36.648 450 HG22 THR 129 HG22 THR 129 16.950 12.524 -35.645 451 HG23 THR 129 HG23 THR 129 18.474 13.398 -35.798 452 H ARG 130 H ARG 130 14.336 13.797 -36.646 453 HA ARG 130 HA ARG 130 12.645 11.965 -35.234 454 HB2 ARG 130 HB2 ARG 130 12.040 13.102 -37.399 455 HB3 ARG 130 HB3 ARG 130 13.220 12.074 -38.203 456 HG2 ARG 130 HG2 ARG 130 11.122 10.977 -38.500 457 HG3 ARG 130 HG3 ARG 130 11.947 10.077 -37.230 458 HD2 ARG 130 HD2 ARG 130 10.603 11.075 -35.518 459 HD3 ARG 130 HD3 ARG 130 9.997 12.312 -36.613 460 HE ARG 130 HE ARG 130 8.452 10.767 -37.422 461 HH11 ARG 130 HH21 ARG 130 10.885 9.225 -35.497 462 HH12 ARG 130 HH22 ARG 130 10.056 7.708 -35.419 463 HH21 ARG 130 HH11 ARG 130 7.364 8.778 -37.324 464 HH22 ARG 130 HH12 ARG 130 8.063 7.454 -36.453 465 H SER 131 H SER 131 13.030 9.898 -34.716 466 HA SER 131 HA SER 131 14.832 8.237 -36.230 467 HB2 SER 131 HB2 SER 131 15.607 9.064 -33.423 468 HB3 SER 131 HB3 SER 131 16.389 7.794 -34.358 469 HG SER 131 HG SER 131 17.553 9.366 -35.122 Start of MODEL 18 1 H1 GLY -4 H1 GLY -4 8.478 -30.141 2.028 2 H2 GLY -4 H2 GLY -4 8.265 -31.496 1.026 3 H3 GLY -4 H3 GLY -4 9.801 -30.793 1.190 4 HA2 GLY -4 HA2 GLY -4 10.272 -32.041 2.939 5 HA3 GLY -4 HA3 GLY -4 8.806 -31.484 3.743 6 HA PRO -3 HA PRO -3 6.469 -35.145 3.032 7 HB2 PRO -3 HB2 PRO -3 4.960 -34.012 0.714 8 HB3 PRO -3 HB3 PRO -3 4.349 -34.718 2.222 9 HG2 PRO -3 HG2 PRO -3 4.296 -32.090 1.803 10 HG3 PRO -3 HG3 PRO -3 4.629 -32.765 3.409 11 HD2 PRO -3 HD2 PRO -3 6.553 -31.533 1.453 12 HD3 PRO -3 HD3 PRO -3 6.571 -31.493 3.230 13 H LEU -2 H LEU -2 7.530 -33.681 -0.019 14 HA LEU -2 HA LEU -2 7.937 -36.382 -1.157 15 HB2 LEU -2 HB2 LEU -2 7.896 -33.720 -2.595 16 HB3 LEU -2 HB3 LEU -2 7.929 -35.323 -3.330 17 HG LEU -2 HG LEU -2 5.702 -34.258 -1.567 18 HD11 LEU -2 HD11 LEU -2 5.654 -34.845 -4.537 19 HD12 LEU -2 HD12 LEU -2 5.927 -33.232 -3.880 20 HD13 LEU -2 HD13 LEU -2 4.400 -34.061 -3.577 21 HD21 LEU -2 HD21 LEU -2 4.585 -36.364 -2.661 22 HD22 LEU -2 HD22 LEU -2 5.665 -36.588 -1.289 23 HD23 LEU -2 HD23 LEU -2 6.246 -36.892 -2.928 24 H GLY -1 H GLY -1 9.528 -33.514 -0.064 25 HA2 GLY -1 HA2 GLY -1 11.972 -34.247 0.477 26 HA3 GLY -1 HA3 GLY -1 12.082 -34.333 -1.280 27 H SER 0 H SER 0 13.837 -32.687 -0.478 28 HA SER 0 HA SER 0 12.968 -30.040 0.160 29 HB2 SER 0 HB2 SER 0 15.274 -29.408 -0.158 30 HB3 SER 0 HB3 SER 0 15.248 -30.968 0.657 31 HG SER 0 HG SER 0 15.935 -30.311 -1.979 32 H ARG 74 H ARG 74 13.062 -31.855 -2.723 33 HA ARG 74 HA ARG 74 13.515 -29.772 -4.605 34 HB2 ARG 74 HB2 ARG 74 12.070 -32.419 -4.870 35 HB3 ARG 74 HB3 ARG 74 12.461 -31.357 -6.224 36 HG2 ARG 74 HG2 ARG 74 14.865 -31.500 -5.622 37 HG3 ARG 74 HG3 ARG 74 14.455 -32.610 -4.312 38 HD2 ARG 74 HD2 ARG 74 13.492 -34.186 -5.951 39 HD3 ARG 74 HD3 ARG 74 13.909 -33.081 -7.258 40 HE ARG 74 HE ARG 74 16.223 -33.693 -5.722 41 HH11 ARG 74 HH21 ARG 74 13.987 -35.021 -8.006 42 HH12 ARG 74 HH22 ARG 74 15.129 -36.131 -8.688 43 HH21 ARG 74 HH11 ARG 74 17.725 -35.145 -6.612 44 HH22 ARG 74 HH12 ARG 74 17.246 -36.202 -7.897 45 H LYS 75 H LYS 75 10.859 -30.550 -2.600 46 HA LYS 75 HA LYS 75 8.856 -29.314 -4.294 47 HB2 LYS 75 HB2 LYS 75 8.390 -31.234 -2.706 48 HB3 LYS 75 HB3 LYS 75 8.589 -30.080 -1.387 49 HG2 LYS 75 HG2 LYS 75 6.773 -28.705 -2.265 50 HG3 LYS 75 HG3 LYS 75 6.619 -29.757 -3.670 51 HD2 LYS 75 HD2 LYS 75 6.032 -31.642 -2.178 52 HD3 LYS 75 HD3 LYS 75 6.159 -30.569 -0.784 53 HE2 LYS 75 HE2 LYS 75 4.364 -29.155 -1.686 54 HE3 LYS 75 HE3 LYS 75 4.248 -30.191 -3.108 55 HZ1 LYS 75 HZ1 LYS 75 3.704 -30.964 -0.295 56 HZ2 LYS 75 HZ2 LYS 75 3.738 -32.055 -1.598 57 HZ3 LYS 75 HZ3 LYS 75 2.570 -30.821 -1.549 58 H ILE 76 H ILE 76 11.257 -28.220 -2.262 59 HA ILE 76 HA ILE 76 9.821 -25.946 -1.164 60 HB ILE 76 HB ILE 76 12.773 -26.620 -1.165 61 HG12 ILE 76 HG12 ILE 76 10.726 -26.830 1.062 62 HG13 ILE 76 HG13 ILE 76 11.208 -28.195 0.054 63 HG21 ILE 76 HG21 ILE 76 11.151 -24.480 0.236 64 HG22 ILE 76 HG22 ILE 76 12.509 -24.245 -0.865 65 HG23 ILE 76 HG23 ILE 76 12.780 -24.938 0.733 66 HD11 ILE 76 HD11 ILE 76 13.063 -26.526 1.778 67 HD12 ILE 76 HD12 ILE 76 13.562 -27.866 0.748 68 HD13 ILE 76 HD13 ILE 76 12.518 -28.164 2.138 69 H ALA 77 H ALA 77 9.513 -24.081 -2.183 70 HA ALA 77 HA ALA 77 10.805 -23.599 -4.747 71 HB1 ALA 77 HB1 ALA 77 9.239 -21.790 -4.992 72 HB2 ALA 77 HB2 ALA 77 8.825 -21.848 -3.279 73 HB3 ALA 77 HB3 ALA 77 8.359 -23.174 -4.343 74 H GLN 78 H GLN 78 12.425 -22.199 -5.118 75 HA GLN 78 HA GLN 78 13.701 -20.923 -2.837 76 HB2 GLN 78 HB2 GLN 78 14.477 -20.958 -5.766 77 HB3 GLN 78 HB3 GLN 78 15.478 -20.369 -4.439 78 HG2 GLN 78 HG2 GLN 78 14.432 -23.201 -4.711 79 HG3 GLN 78 HG3 GLN 78 16.079 -22.688 -5.075 80 HE21 GLN 78 HE21 GLN 78 17.000 -21.265 -3.049 81 HE22 GLN 78 HE22 GLN 78 16.784 -22.016 -1.543 82 H MET 79 H MET 79 13.651 -18.811 -2.345 83 HA MET 79 HA MET 79 11.733 -17.103 -3.593 84 HB2 MET 79 HB2 MET 79 12.615 -15.383 -2.043 85 HB3 MET 79 HB3 MET 79 12.236 -16.894 -1.216 86 HG2 MET 79 HG2 MET 79 14.613 -17.556 -1.334 87 HG3 MET 79 HG3 MET 79 14.993 -16.040 -2.148 88 HE1 MET 79 HE1 MET 79 16.509 -16.965 0.058 89 HE2 MET 79 HE2 MET 79 16.490 -15.895 1.457 90 HE3 MET 79 HE3 MET 79 16.812 -15.234 -0.144 91 H THR 80 H THR 80 12.017 -15.371 -4.951 92 HA THR 80 HA THR 80 14.403 -15.408 -6.591 93 HB THR 80 HB THR 80 13.235 -13.777 -7.963 94 HG1 THR 80 HG1 THR 80 10.920 -13.519 -6.862 95 HG21 THR 80 HG21 THR 80 12.575 -16.209 -8.039 96 HG22 THR 80 HG22 THR 80 11.307 -15.100 -8.562 97 HG23 THR 80 HG23 THR 80 11.242 -15.819 -6.953 98 H GLU 82 H GLU 82 15.460 -13.296 -7.178 99 HA GLU 82 HA GLU 82 16.639 -12.119 -4.909 100 HB2 GLU 82 HB2 GLU 82 16.527 -11.240 -7.799 101 HB3 GLU 82 HB3 GLU 82 17.487 -10.411 -6.572 102 HG2 GLU 82 HG2 GLU 82 18.745 -12.446 -6.117 103 HG3 GLU 82 HG3 GLU 82 17.731 -13.359 -7.234 104 H GLU 83 H GLU 83 14.025 -11.012 -7.033 105 HA GLU 83 HA GLU 83 13.698 -8.464 -5.814 106 HB2 GLU 83 HB2 GLU 83 11.790 -10.170 -7.426 107 HB3 GLU 83 HB3 GLU 83 11.462 -8.507 -6.939 108 HG2 GLU 83 HG2 GLU 83 13.907 -9.336 -8.520 109 HG3 GLU 83 HG3 GLU 83 12.425 -8.737 -9.261 110 H GLN 84 H GLN 84 12.274 -11.647 -5.227 111 HA GLN 84 HA GLN 84 10.283 -10.855 -3.403 112 HB2 GLN 84 HB2 GLN 84 10.399 -13.096 -4.470 113 HB3 GLN 84 HB3 GLN 84 11.807 -13.468 -3.476 114 HG2 GLN 84 HG2 GLN 84 10.482 -13.157 -1.441 115 HG3 GLN 84 HG3 GLN 84 9.078 -12.709 -2.405 116 HE21 GLN 84 HE21 GLN 84 8.674 -14.863 -0.754 117 HE22 GLN 84 HE22 GLN 84 8.681 -16.314 -1.634 118 H PHE 85 H PHE 85 13.679 -11.760 -2.962 119 HA PHE 85 HA PHE 85 13.717 -11.773 -0.147 120 HB2 PHE 85 HB2 PHE 85 15.559 -12.684 -1.464 121 HB3 PHE 85 HB3 PHE 85 15.917 -11.083 -2.111 122 HD1 PHE 85 HD1 PHE 85 15.559 -12.912 1.142 123 HD2 PHE 85 HD2 PHE 85 17.437 -9.690 -0.992 124 HE1 PHE 85 HE1 PHE 85 16.980 -12.432 3.117 125 HE2 PHE 85 HE2 PHE 85 18.857 -9.212 0.984 126 HZ PHE 85 HZ PHE 85 18.630 -10.583 3.038 127 H ALA 86 H ALA 86 14.471 -9.168 -2.460 128 HA ALA 86 HA ALA 86 15.016 -7.176 -0.529 129 HB1 ALA 86 HB1 ALA 86 14.492 -5.591 -2.432 130 HB2 ALA 86 HB2 ALA 86 14.085 -7.008 -3.398 131 HB3 ALA 86 HB3 ALA 86 15.725 -6.804 -2.783 132 H LEU 87 H LEU 87 12.029 -8.189 -2.134 133 HA LEU 87 HA LEU 87 10.370 -6.117 -1.210 134 HB2 LEU 87 HB2 LEU 87 9.676 -7.655 -2.987 135 HB3 LEU 87 HB3 LEU 87 9.673 -8.996 -1.843 136 HG LEU 87 HG LEU 87 7.925 -7.853 -0.514 137 HD11 LEU 87 HD11 LEU 87 8.179 -5.560 -0.830 138 HD12 LEU 87 HD12 LEU 87 6.806 -5.887 -1.882 139 HD13 LEU 87 HD13 LEU 87 8.419 -5.721 -2.571 140 HD21 LEU 87 HD21 LEU 87 6.118 -8.323 -1.981 141 HD22 LEU 87 HD22 LEU 87 7.424 -9.381 -2.518 142 HD23 LEU 87 HD23 LEU 87 7.065 -7.901 -3.409 143 H ALA 88 H ALA 88 11.198 -9.264 0.198 144 HA ALA 88 HA ALA 88 9.452 -9.173 2.398 145 HB1 ALA 88 HB1 ALA 88 10.806 -10.908 3.351 146 HB2 ALA 88 HB2 ALA 88 12.196 -10.442 2.370 147 HB3 ALA 88 HB3 ALA 88 10.782 -11.169 1.608 148 H LEU 89 H LEU 89 12.755 -7.958 1.985 149 HA LEU 89 HA LEU 89 13.151 -7.133 4.662 150 HB2 LEU 89 HB2 LEU 89 14.367 -6.186 2.059 151 HB3 LEU 89 HB3 LEU 89 14.903 -5.623 3.638 152 HG LEU 89 HG LEU 89 14.789 -8.549 2.851 153 HD11 LEU 89 HD11 LEU 89 16.995 -6.498 2.657 154 HD12 LEU 89 HD12 LEU 89 16.463 -7.660 1.442 155 HD13 LEU 89 HD13 LEU 89 17.362 -8.212 2.855 156 HD21 LEU 89 HD21 LEU 89 14.828 -8.531 5.176 157 HD22 LEU 89 HD22 LEU 89 15.680 -6.989 5.260 158 HD23 LEU 89 HD23 LEU 89 16.554 -8.460 4.843 159 H LYS 90 H LYS 90 11.839 -5.477 1.824 160 HA LYS 90 HA LYS 90 11.587 -2.917 2.989 161 HB2 LYS 90 HB2 LYS 90 11.419 -3.338 0.561 162 HB3 LYS 90 HB3 LYS 90 9.891 -4.177 0.827 163 HG2 LYS 90 HG2 LYS 90 8.817 -2.187 1.592 164 HG3 LYS 90 HG3 LYS 90 10.352 -1.330 1.737 165 HD2 LYS 90 HD2 LYS 90 9.280 -0.567 -0.288 166 HD3 LYS 90 HD3 LYS 90 10.638 -1.590 -0.757 167 HE2 LYS 90 HE2 LYS 90 9.186 -3.453 -1.205 168 HE3 LYS 90 HE3 LYS 90 7.809 -2.629 -0.474 169 HZ1 LYS 90 HZ1 LYS 90 7.863 -1.000 -2.217 170 HZ2 LYS 90 HZ2 LYS 90 7.800 -2.547 -2.914 171 HZ3 LYS 90 HZ3 LYS 90 9.265 -1.685 -2.883 172 H MET 91 H MET 91 9.395 -5.696 2.862 173 HA MET 91 HA MET 91 7.156 -4.434 4.033 174 HB2 MET 91 HB2 MET 91 8.025 -7.326 3.941 175 HB3 MET 91 HB3 MET 91 6.484 -6.803 4.618 176 HG2 MET 91 HG2 MET 91 7.395 -6.137 1.807 177 HG3 MET 91 HG3 MET 91 6.352 -7.504 2.199 178 HE1 MET 91 HE1 MET 91 4.288 -6.493 0.576 179 HE2 MET 91 HE2 MET 91 5.724 -5.561 0.164 180 HE3 MET 91 HE3 MET 91 4.195 -4.731 0.443 181 H SER 92 H SER 92 9.935 -6.114 5.416 182 HA SER 92 HA SER 92 9.043 -6.231 8.085 183 HB2 SER 92 HB2 SER 92 11.834 -6.056 6.936 184 HB3 SER 92 HB3 SER 92 11.490 -6.360 8.634 185 HG SER 92 HG SER 92 11.243 -8.003 6.435 186 H GLU 93 H GLU 93 10.818 -3.736 6.300 187 HA GLU 93 HA GLU 93 11.227 -2.018 8.532 188 HB2 GLU 93 HB2 GLU 93 11.438 -1.779 5.563 189 HB3 GLU 93 HB3 GLU 93 11.355 -0.285 6.496 190 HG2 GLU 93 HG2 GLU 93 13.689 -0.934 6.216 191 HG3 GLU 93 HG3 GLU 93 13.236 -1.090 7.910 192 H GLN 94 H GLN 94 8.685 -2.289 6.099 193 HA GLN 94 HA GLN 94 7.285 0.074 6.807 194 HB2 GLN 94 HB2 GLN 94 6.403 -2.477 5.446 195 HB3 GLN 94 HB3 GLN 94 5.349 -1.077 5.656 196 HG2 GLN 94 HG2 GLN 94 6.835 0.324 4.367 197 HG3 GLN 94 HG3 GLN 94 8.059 -0.943 4.311 198 HE21 GLN 94 HE21 GLN 94 6.664 0.351 2.000 199 HE22 GLN 94 HE22 GLN 94 5.894 -0.913 1.167 200 H GLU 95 H GLU 95 7.129 -3.264 7.944 201 HA GLU 95 HA GLU 95 4.921 -2.638 9.757 202 HB2 GLU 95 HB2 GLU 95 6.452 -5.194 9.220 203 HB3 GLU 95 HB3 GLU 95 5.119 -5.054 10.367 204 HG2 GLU 95 HG2 GLU 95 3.622 -4.321 8.557 205 HG3 GLU 95 HG3 GLU 95 4.951 -4.434 7.404 206 H ALA 96 H ALA 96 8.216 -2.265 9.777 207 HA ALA 96 HA ALA 96 9.677 -1.678 11.456 208 HB1 ALA 96 HB1 ALA 96 8.846 -0.930 13.498 209 HB2 ALA 96 HB2 ALA 96 7.565 -2.138 13.540 210 HB3 ALA 96 HB3 ALA 96 7.436 -0.755 12.454 211 H ARG 97 H ARG 97 7.834 -4.563 11.476 212 HA ARG 97 HA ARG 97 8.148 -6.635 12.456 213 HB2 ARG 97 HB2 ARG 97 9.981 -6.274 10.644 214 HB3 ARG 97 HB3 ARG 97 11.082 -6.128 12.013 215 HG2 ARG 97 HG2 ARG 97 10.365 -8.330 12.845 216 HG3 ARG 97 HG3 ARG 97 9.231 -8.476 11.503 217 HD2 ARG 97 HD2 ARG 97 11.178 -8.251 9.929 218 HD3 ARG 97 HD3 ARG 97 12.249 -8.319 11.324 219 HE ARG 97 HE ARG 97 10.547 -10.546 11.443 220 HH11 ARG 97 HH21 ARG 97 13.031 -9.199 9.444 221 HH12 ARG 97 HH22 ARG 97 13.602 -10.733 8.882 222 HH21 ARG 97 HH11 ARG 97 11.291 -12.562 10.709 223 HH22 ARG 97 HH12 ARG 97 12.618 -12.638 9.597 224 H GLU 98 H GLU 98 8.039 -4.540 14.386 225 HA GLU 98 HA GLU 98 9.319 -5.890 16.596 226 HB2 GLU 98 HB2 GLU 98 11.132 -4.401 15.698 227 HB3 GLU 98 HB3 GLU 98 10.103 -3.019 16.046 228 HG2 GLU 98 HG2 GLU 98 10.000 -3.718 18.428 229 HG3 GLU 98 HG3 GLU 98 11.091 -5.053 18.064 230 H VAL 99 H VAL 99 8.676 -2.459 16.669 231 HA VAL 99 HA VAL 99 6.490 -2.916 18.544 232 HB VAL 99 HB VAL 99 7.456 -0.221 17.621 233 HG11 VAL 99 HG11 VAL 99 6.440 -1.288 20.274 234 HG12 VAL 99 HG12 VAL 99 5.478 -0.387 19.102 235 HG13 VAL 99 HG13 VAL 99 6.832 0.395 19.919 236 HG21 VAL 99 HG21 VAL 99 9.503 -1.400 18.151 237 HG22 VAL 99 HG22 VAL 99 8.776 -2.119 19.589 238 HG23 VAL 99 HG23 VAL 99 9.111 -0.390 19.543 239 H ASN 100 H ASN 100 4.386 -2.238 18.239 240 HA ASN 100 HA ASN 100 3.475 -2.145 15.501 241 HB2 ASN 100 HB2 ASN 100 1.929 -1.798 18.080 242 HB3 ASN 100 HB3 ASN 100 1.235 -2.069 16.485 243 HD21 ASN 100 HD21 ASN 100 2.594 -4.124 15.389 244 HD22 ASN 100 HD22 ASN 100 2.587 -5.494 16.390 245 H SER 101 H SER 101 3.177 -0.384 14.318 246 HA SER 101 HA SER 101 3.810 2.212 15.210 247 HB2 SER 101 HB2 SER 101 2.929 2.959 13.038 248 HB3 SER 101 HB3 SER 101 3.949 1.538 12.847 249 HG SER 101 HG SER 101 2.167 0.296 12.561 250 H GLN 102 H GLN 102 0.756 0.487 14.912 251 HA GLN 102 HA GLN 102 -0.952 2.713 15.328 252 HB2 GLN 102 HB2 GLN 102 -2.613 0.903 16.015 253 HB3 GLN 102 HB3 GLN 102 -1.937 0.765 14.394 254 HG2 GLN 102 HG2 GLN 102 -0.509 -0.593 16.654 255 HG3 GLN 102 HG3 GLN 102 -1.978 -1.330 16.034 256 HE21 GLN 102 HE21 GLN 102 -0.614 -3.120 15.170 257 HE22 GLN 102 HE22 GLN 102 0.272 -2.888 13.741 258 H GLU 103 H GLU 103 0.731 0.526 17.506 259 HA GLU 103 HA GLU 103 -0.676 1.287 19.865 260 HB2 GLU 103 HB2 GLU 103 0.624 -0.807 19.705 261 HB3 GLU 103 HB3 GLU 103 2.111 0.135 19.580 262 HG2 GLU 103 HG2 GLU 103 1.797 -0.588 21.892 263 HG3 GLU 103 HG3 GLU 103 1.611 1.158 21.796 264 H GLU 104 H GLU 104 2.262 2.405 18.268 265 HA GLU 104 HA GLU 104 3.138 4.191 20.279 266 HB2 GLU 104 HB2 GLU 104 3.559 4.160 17.283 267 HB3 GLU 104 HB3 GLU 104 4.360 5.299 18.365 268 HG2 GLU 104 HG2 GLU 104 5.416 3.492 19.584 269 HG3 GLU 104 HG3 GLU 104 4.504 2.290 18.674 270 H GLU 105 H GLU 105 0.974 4.576 17.504 271 HA GLU 105 HA GLU 105 0.609 7.363 17.691 272 HB2 GLU 105 HB2 GLU 105 -0.075 6.035 15.726 273 HB3 GLU 105 HB3 GLU 105 -1.331 5.259 16.694 274 HG2 GLU 105 HG2 GLU 105 -2.270 7.117 15.376 275 HG3 GLU 105 HG3 GLU 105 -2.378 7.461 17.099 276 H GLU 106 H GLU 106 -1.163 4.655 19.150 277 HA GLU 106 HA GLU 106 -3.182 6.200 20.388 278 HB2 GLU 106 HB2 GLU 106 -3.291 3.734 20.081 279 HB3 GLU 106 HB3 GLU 106 -2.035 3.553 21.306 280 HG2 GLU 106 HG2 GLU 106 -3.471 4.652 22.969 281 HG3 GLU 106 HG3 GLU 106 -4.721 4.889 21.749 282 H GLU 107 H GLU 107 0.024 5.160 21.468 283 HA GLU 107 HA GLU 107 -0.163 6.003 24.146 284 HB2 GLU 107 HB2 GLU 107 1.658 4.572 23.276 285 HB3 GLU 107 HB3 GLU 107 2.289 5.946 22.368 286 HG2 GLU 107 HG2 GLU 107 2.667 7.188 24.433 287 HG3 GLU 107 HG3 GLU 107 1.932 5.895 25.377 288 H GLU 108 H GLU 108 0.873 7.725 21.219 289 HA GLU 108 HA GLU 108 1.671 10.118 22.491 290 HB2 GLU 108 HB2 GLU 108 0.661 9.583 19.690 291 HB3 GLU 108 HB3 GLU 108 1.312 11.135 20.217 292 HG2 GLU 108 HG2 GLU 108 2.822 8.523 20.462 293 HG3 GLU 108 HG3 GLU 108 2.997 9.622 19.095 294 H LEU 109 H LEU 109 -1.436 9.068 21.146 295 HA LEU 109 HA LEU 109 -2.813 11.512 21.534 296 HB2 LEU 109 HB2 LEU 109 -3.832 8.663 21.400 297 HB3 LEU 109 HB3 LEU 109 -4.864 10.089 21.376 298 HG LEU 109 HG LEU 109 -2.628 9.605 19.390 299 HD11 LEU 109 HD11 LEU 109 -4.326 7.882 19.092 300 HD12 LEU 109 HD12 LEU 109 -4.487 9.073 17.802 301 HD13 LEU 109 HD13 LEU 109 -5.608 9.091 19.164 302 HD21 LEU 109 HD21 LEU 109 -4.750 11.700 19.783 303 HD22 LEU 109 HD22 LEU 109 -4.213 11.319 18.150 304 HD23 LEU 109 HD23 LEU 109 -3.055 11.896 19.340 305 H LEU 110 H LEU 110 -2.342 8.678 23.591 306 HA LEU 110 HA LEU 110 -4.117 9.411 25.648 307 HB2 LEU 110 HB2 LEU 110 -3.167 7.159 25.482 308 HB3 LEU 110 HB3 LEU 110 -1.555 7.801 25.800 309 HG LEU 110 HG LEU 110 -2.312 8.607 28.012 310 HD11 LEU 110 HD11 LEU 110 -4.591 9.057 27.868 311 HD12 LEU 110 HD12 LEU 110 -4.620 7.505 28.698 312 HD13 LEU 110 HD13 LEU 110 -4.933 7.580 26.965 313 HD21 LEU 110 HD21 LEU 110 -2.571 6.403 29.071 314 HD22 LEU 110 HD22 LEU 110 -1.354 6.337 27.797 315 HD23 LEU 110 HD23 LEU 110 -2.969 5.691 27.507 316 H ARG 111 H ARG 111 -0.657 10.072 25.189 317 HA ARG 111 HA ARG 111 -0.218 11.408 27.629 318 HB2 ARG 111 HB2 ARG 111 1.577 10.615 26.092 319 HB3 ARG 111 HB3 ARG 111 1.159 11.922 24.985 320 HG2 ARG 111 HG2 ARG 111 1.624 13.574 26.774 321 HG3 ARG 111 HG3 ARG 111 2.081 12.256 27.855 322 HD2 ARG 111 HD2 ARG 111 3.413 12.832 25.195 323 HD3 ARG 111 HD3 ARG 111 4.043 13.348 26.756 324 HE ARG 111 HE ARG 111 4.067 10.645 25.680 325 HH11 ARG 111 HH21 ARG 111 4.293 12.710 28.447 326 HH12 ARG 111 HH22 ARG 111 5.172 11.564 29.403 327 HH21 ARG 111 HH11 ARG 111 5.221 9.136 26.927 328 HH22 ARG 111 HH12 ARG 111 5.697 9.541 28.543 329 H LYS 112 H LYS 112 -1.255 12.598 24.454 330 HA LYS 112 HA LYS 112 -1.223 15.351 25.064 331 HB2 LYS 112 HB2 LYS 112 -1.423 14.464 22.766 332 HB3 LYS 112 HB3 LYS 112 -3.039 13.869 23.146 333 HG2 LYS 112 HG2 LYS 112 -3.791 16.162 23.617 334 HG3 LYS 112 HG3 LYS 112 -2.169 16.771 23.290 335 HD2 LYS 112 HD2 LYS 112 -2.317 15.936 20.975 336 HD3 LYS 112 HD3 LYS 112 -3.937 15.319 21.300 337 HE2 LYS 112 HE2 LYS 112 -4.721 17.598 21.789 338 HE3 LYS 112 HE3 LYS 112 -3.100 18.228 21.499 339 HZ1 LYS 112 HZ1 LYS 112 -3.241 17.336 19.230 340 HZ2 LYS 112 HZ2 LYS 112 -4.436 18.503 19.540 341 HZ3 LYS 112 HZ3 LYS 112 -4.840 16.852 19.525 342 H ALA 113 H ALA 113 -3.780 12.903 25.370 343 HA ALA 113 HA ALA 113 -5.842 14.635 26.196 344 HB1 ALA 113 HB1 ALA 113 -6.812 12.538 27.234 345 HB2 ALA 113 HB2 ALA 113 -5.341 11.702 26.736 346 HB3 ALA 113 HB3 ALA 113 -6.409 12.408 25.522 347 H ILE 114 H ILE 114 -3.380 12.865 28.032 348 HA ILE 114 HA ILE 114 -4.328 13.534 30.611 349 HB ILE 114 HB ILE 114 -1.559 12.821 29.623 350 HG12 ILE 114 HG12 ILE 114 -3.553 11.186 31.215 351 HG13 ILE 114 HG13 ILE 114 -3.467 11.136 29.454 352 HG21 ILE 114 HG21 ILE 114 -1.217 13.988 31.672 353 HG22 ILE 114 HG22 ILE 114 -1.224 12.279 32.108 354 HG23 ILE 114 HG23 ILE 114 -2.651 13.271 32.406 355 HD11 ILE 114 HD11 ILE 114 -1.199 10.484 31.360 356 HD12 ILE 114 HD12 ILE 114 -1.084 10.473 29.599 357 HD13 ILE 114 HD13 ILE 114 -2.130 9.315 30.423 358 H ALA 115 H ALA 115 -1.976 15.083 28.457 359 HA ALA 115 HA ALA 115 -1.121 17.107 30.214 360 HB1 ALA 115 HB1 ALA 115 -0.010 16.536 28.059 361 HB2 ALA 115 HB2 ALA 115 -0.331 18.262 28.226 362 HB3 ALA 115 HB3 ALA 115 -1.366 17.268 27.201 363 H GLU 116 H GLU 116 -3.853 16.935 27.977 364 HA GLU 116 HA GLU 116 -4.676 19.630 28.195 365 HB2 GLU 116 HB2 GLU 116 -6.179 17.100 27.511 366 HB3 GLU 116 HB3 GLU 116 -6.916 18.702 27.452 367 HG2 GLU 116 HG2 GLU 116 -5.302 19.451 25.810 368 HG3 GLU 116 HG3 GLU 116 -4.390 17.953 25.960 369 H SER 117 H SER 117 -5.427 16.743 30.091 370 HA SER 117 HA SER 117 -7.512 17.823 31.647 371 HB2 SER 117 HB2 SER 117 -5.486 15.671 32.291 372 HB3 SER 117 HB3 SER 117 -6.896 16.031 33.283 373 HG SER 117 HG SER 117 -7.939 14.792 31.954 374 H LEU 118 H LEU 118 -3.996 17.770 32.144 375 HA LEU 118 HA LEU 118 -4.112 19.102 34.680 376 HB2 LEU 118 HB2 LEU 118 -1.943 18.371 32.737 377 HB3 LEU 118 HB3 LEU 118 -1.586 19.513 34.029 378 HG LEU 118 HG LEU 118 -1.116 17.097 34.613 379 HD11 LEU 118 HD11 LEU 118 -1.626 17.515 36.810 380 HD12 LEU 118 HD12 LEU 118 -3.298 17.939 36.460 381 HD13 LEU 118 HD13 LEU 118 -2.016 19.114 36.191 382 HD21 LEU 118 HD21 LEU 118 -2.892 15.555 34.877 383 HD22 LEU 118 HD22 LEU 118 -3.262 16.360 33.357 384 HD23 LEU 118 HD23 LEU 118 -4.117 16.819 34.824 385 H ASN 119 H ASN 119 -3.724 20.126 31.343 386 HA ASN 119 HA ASN 119 -3.122 22.862 32.047 387 HB2 ASN 119 HB2 ASN 119 -3.796 21.509 29.431 388 HB3 ASN 119 HB3 ASN 119 -3.447 23.232 29.571 389 HD21 ASN 119 HD21 ASN 119 -1.828 21.142 28.159 390 HD22 ASN 119 HD22 ASN 119 -0.295 21.188 28.888 391 H SER 120 H SER 120 -5.938 20.985 31.843 392 HA SER 120 HA SER 120 -7.718 23.149 31.081 393 HB2 SER 120 HB2 SER 120 -8.355 20.925 30.412 394 HB3 SER 120 HB3 SER 120 -8.214 20.332 32.066 395 HG SER 120 HG SER 120 -9.990 22.379 31.211 396 H CYS 121 H CYS 121 -8.778 24.487 32.418 397 HA CYS 121 HA CYS 121 -8.100 24.500 35.224 398 HB2 CYS 121 HB2 CYS 121 -9.915 26.239 33.543 399 HB3 CYS 121 HB3 CYS 121 -9.638 26.497 35.265 400 HG CYS 121 HG CYS 121 -6.943 26.404 34.198 401 H ARG 122 H ARG 122 -9.727 24.586 36.935 402 HA ARG 122 HA ARG 122 -11.464 22.377 36.852 403 HB2 ARG 122 HB2 ARG 122 -12.310 23.265 39.040 404 HB3 ARG 122 HB3 ARG 122 -10.556 23.126 38.961 405 HG2 ARG 122 HG2 ARG 122 -10.345 25.501 38.489 406 HG3 ARG 122 HG3 ARG 122 -12.096 25.674 38.391 407 HD2 ARG 122 HD2 ARG 122 -10.609 24.755 40.864 408 HD3 ARG 122 HD3 ARG 122 -11.158 26.406 40.592 409 HE ARG 122 HE ARG 122 -13.373 24.729 40.258 410 HH11 ARG 122 HH21 ARG 122 -11.113 25.670 42.704 411 HH12 ARG 122 HH22 ARG 122 -12.227 25.452 44.012 412 HH21 ARG 122 HH11 ARG 122 -14.840 24.442 41.969 413 HH22 ARG 122 HH12 ARG 122 -14.337 24.758 43.595 414 HA PRO 123 HA PRO 123 -15.109 24.045 35.006 415 HB2 PRO 123 HB2 PRO 123 -17.027 22.585 36.343 416 HB3 PRO 123 HB3 PRO 123 -16.030 21.937 35.029 417 HG2 PRO 123 HG2 PRO 123 -15.715 21.620 37.978 418 HG3 PRO 123 HG3 PRO 123 -15.481 20.433 36.681 419 HD2 PRO 123 HD2 PRO 123 -13.387 21.691 37.878 420 HD3 PRO 123 HD3 PRO 123 -13.340 21.205 36.170 421 H SER 124 H SER 124 -16.743 25.559 35.379 422 HA SER 124 HA SER 124 -16.484 27.228 37.642 423 HB2 SER 124 HB2 SER 124 -17.317 28.079 35.512 424 HB3 SER 124 HB3 SER 124 -18.726 27.028 35.616 425 HG SER 124 HG SER 124 -18.336 29.448 36.692 426 H ASP 125 H ASP 125 -17.690 27.449 39.489 427 HA ASP 125 HA ASP 125 -18.935 25.138 40.557 428 HB2 ASP 125 HB2 ASP 125 -18.878 28.023 41.448 429 HB3 ASP 125 HB3 ASP 125 -19.681 26.755 42.373 430 H ALA 126 H ALA 126 -21.121 24.754 41.074 431 HA ALA 126 HA ALA 126 -22.982 25.384 39.063 432 HB1 ALA 126 HB1 ALA 126 -23.657 24.530 41.883 433 HB2 ALA 126 HB2 ALA 126 -23.075 23.417 40.644 434 HB3 ALA 126 HB3 ALA 126 -24.607 24.262 40.421 435 H SER 127 H SER 127 -22.122 27.013 42.018 436 HA SER 127 HA SER 127 -24.476 28.672 42.125 437 HB2 SER 127 HB2 SER 127 -23.361 29.810 43.928 438 HB3 SER 127 HB3 SER 127 -23.055 28.086 44.115 439 HG SER 127 HG SER 127 -21.168 28.999 42.549 440 H ALA 128 H ALA 128 -21.709 28.632 40.195 441 HA ALA 128 HA ALA 128 -21.090 30.058 38.485 442 HB1 ALA 128 HB1 ALA 128 -22.908 32.235 39.446 443 HB2 ALA 128 HB2 ALA 128 -23.630 30.780 38.760 444 HB3 ALA 128 HB3 ALA 128 -22.512 31.747 37.799 445 H THR 129 H THR 129 -20.360 30.174 41.513 446 HA THR 129 HA THR 129 -19.436 32.843 41.965 447 HB THR 129 HB THR 129 -18.576 30.247 43.266 448 HG1 THR 129 HG1 THR 129 -20.109 31.830 44.762 449 HG21 THR 129 HG21 THR 129 -16.947 31.982 43.681 450 HG22 THR 129 HG22 THR 129 -17.930 31.805 45.133 451 HG23 THR 129 HG23 THR 129 -18.217 33.154 44.035 452 H ARG 130 H ARG 130 -17.588 33.797 41.356 453 HA ARG 130 HA ARG 130 -15.870 32.512 39.460 454 HB2 ARG 130 HB2 ARG 130 -16.388 34.948 39.428 455 HB3 ARG 130 HB3 ARG 130 -15.458 35.133 40.917 456 HG2 ARG 130 HG2 ARG 130 -13.453 34.251 39.782 457 HG3 ARG 130 HG3 ARG 130 -14.379 34.061 38.293 458 HD2 ARG 130 HD2 ARG 130 -13.154 36.145 38.158 459 HD3 ARG 130 HD3 ARG 130 -14.864 36.521 38.352 460 HE ARG 130 HE ARG 130 -13.564 36.401 40.887 461 HH11 ARG 130 HH21 ARG 130 -13.936 38.314 38.029 462 HH12 ARG 130 HH22 ARG 130 -13.633 39.819 38.831 463 HH21 ARG 130 HH11 ARG 130 -13.167 38.371 41.946 464 HH22 ARG 130 HH12 ARG 130 -13.199 39.852 41.049 465 H SER 131 H SER 131 -13.956 31.524 39.754 466 HA SER 131 HA SER 131 -13.158 30.639 42.313 467 HB2 SER 131 HB2 SER 131 -11.625 30.709 39.705 468 HB3 SER 131 HB3 SER 131 -11.112 29.837 41.148 469 HG SER 131 HG SER 131 -13.626 29.482 39.876 Start of MODEL 19 1 H1 GLY -4 H1 GLY -4 5.495 -30.719 16.008 2 H2 GLY -4 H2 GLY -4 6.088 -29.946 17.402 3 H3 GLY -4 H3 GLY -4 5.748 -31.610 17.429 4 HA2 GLY -4 HA2 GLY -4 8.153 -31.099 17.276 5 HA3 GLY -4 HA3 GLY -4 7.538 -32.094 15.955 6 HA PRO -3 HA PRO -3 9.942 -28.472 14.182 7 HB2 PRO -3 HB2 PRO -3 10.525 -30.669 12.223 8 HB3 PRO -3 HB3 PRO -3 11.628 -29.472 12.935 9 HG2 PRO -3 HG2 PRO -3 11.672 -31.983 13.763 10 HG3 PRO -3 HG3 PRO -3 11.828 -30.651 14.925 11 HD2 PRO -3 HD2 PRO -3 9.426 -32.363 14.334 12 HD3 PRO -3 HD3 PRO -3 10.024 -31.768 15.900 13 H LEU -2 H LEU -2 9.171 -27.134 12.591 14 HA LEU -2 HA LEU -2 6.626 -27.615 11.444 15 HB2 LEU -2 HB2 LEU -2 8.755 -25.532 10.985 16 HB3 LEU -2 HB3 LEU -2 7.284 -25.560 10.014 17 HG LEU -2 HG LEU -2 5.918 -25.410 12.054 18 HD11 LEU -2 HD11 LEU -2 7.230 -24.822 14.204 19 HD12 LEU -2 HD12 LEU -2 8.624 -25.531 13.391 20 HD13 LEU -2 HD13 LEU -2 7.198 -26.516 13.715 21 HD21 LEU -2 HD21 LEU -2 8.118 -23.319 12.011 22 HD22 LEU -2 HD22 LEU -2 6.493 -23.109 12.661 23 HD23 LEU -2 HD23 LEU -2 6.727 -23.336 10.927 24 H GLY -1 H GLY -1 9.911 -27.870 10.163 25 HA2 GLY -1 HA2 GLY -1 10.401 -29.630 8.549 26 HA3 GLY -1 HA3 GLY -1 8.836 -29.318 7.803 27 H SER 0 H SER 0 12.148 -28.381 8.009 28 HA SER 0 HA SER 0 11.958 -25.889 6.624 29 HB2 SER 0 HB2 SER 0 14.277 -27.794 7.005 30 HB3 SER 0 HB3 SER 0 14.414 -26.186 6.300 31 HG SER 0 HG SER 0 13.355 -26.779 8.871 32 H ARG 74 H ARG 74 11.738 -29.146 5.655 33 HA ARG 74 HA ARG 74 12.763 -28.926 3.005 34 HB2 ARG 74 HB2 ARG 74 10.791 -30.872 4.221 35 HB3 ARG 74 HB3 ARG 74 11.540 -31.054 2.634 36 HG2 ARG 74 HG2 ARG 74 13.766 -31.096 3.654 37 HG3 ARG 74 HG3 ARG 74 13.059 -30.833 5.249 38 HD2 ARG 74 HD2 ARG 74 13.504 -33.199 5.009 39 HD3 ARG 74 HD3 ARG 74 11.760 -32.959 4.957 40 HE ARG 74 HE ARG 74 11.774 -33.627 2.721 41 HH11 ARG 74 HH21 ARG 74 14.969 -33.040 3.906 42 HH12 ARG 74 HH22 ARG 74 15.760 -33.726 2.526 43 HH21 ARG 74 HH11 ARG 74 12.801 -34.533 0.905 44 HH22 ARG 74 HH12 ARG 74 14.530 -34.573 0.827 45 H LYS 75 H LYS 75 9.876 -27.844 4.497 46 HA LYS 75 HA LYS 75 8.353 -27.765 1.998 47 HB2 LYS 75 HB2 LYS 75 7.640 -26.934 4.810 48 HB3 LYS 75 HB3 LYS 75 6.540 -26.845 3.433 49 HG2 LYS 75 HG2 LYS 75 6.961 -29.326 3.081 50 HG3 LYS 75 HG3 LYS 75 7.788 -29.328 4.638 51 HD2 LYS 75 HD2 LYS 75 4.936 -28.372 4.256 52 HD3 LYS 75 HD3 LYS 75 5.357 -30.011 4.748 53 HE2 LYS 75 HE2 LYS 75 6.631 -28.999 6.692 54 HE3 LYS 75 HE3 LYS 75 5.930 -27.442 6.247 55 HZ1 LYS 75 HZ1 LYS 75 4.689 -29.730 7.499 56 HZ2 LYS 75 HZ2 LYS 75 3.770 -29.008 6.267 57 HZ3 LYS 75 HZ3 LYS 75 4.287 -28.084 7.596 58 H ILE 76 H ILE 76 10.745 -25.982 3.145 59 HA ILE 76 HA ILE 76 9.608 -23.329 2.748 60 HB ILE 76 HB ILE 76 12.462 -24.209 3.233 61 HG12 ILE 76 HG12 ILE 76 10.655 -24.599 5.065 62 HG13 ILE 76 HG13 ILE 76 12.135 -23.770 5.524 63 HG21 ILE 76 HG21 ILE 76 12.608 -22.094 2.216 64 HG22 ILE 76 HG22 ILE 76 12.624 -21.723 3.940 65 HG23 ILE 76 HG23 ILE 76 11.144 -21.508 3.006 66 HD11 ILE 76 HD11 ILE 76 9.817 -22.788 6.276 67 HD12 ILE 76 HD12 ILE 76 9.760 -22.143 4.638 68 HD13 ILE 76 HD13 ILE 76 11.076 -21.699 5.716 69 H ALA 77 H ALA 77 9.481 -22.338 0.871 70 HA ALA 77 HA ALA 77 10.735 -23.477 -1.497 71 HB1 ALA 77 HB1 ALA 77 8.390 -22.711 -1.565 72 HB2 ALA 77 HB2 ALA 77 9.394 -21.827 -2.713 73 HB3 ALA 77 HB3 ALA 77 8.922 -21.072 -1.190 74 H GLN 78 H GLN 78 12.036 -22.225 -2.955 75 HA GLN 78 HA GLN 78 13.960 -20.565 -1.574 76 HB2 GLN 78 HB2 GLN 78 13.723 -21.286 -4.508 77 HB3 GLN 78 HB3 GLN 78 15.120 -20.533 -3.743 78 HG2 GLN 78 HG2 GLN 78 13.986 -23.258 -3.044 79 HG3 GLN 78 HG3 GLN 78 15.441 -22.971 -3.995 80 HE21 GLN 78 HE21 GLN 78 14.485 -23.766 -0.915 81 HE22 GLN 78 HE22 GLN 78 15.799 -23.137 -0.044 82 H MET 79 H MET 79 13.849 -18.432 -1.370 83 HA MET 79 HA MET 79 11.782 -16.922 -2.708 84 HB2 MET 79 HB2 MET 79 13.984 -16.124 -0.792 85 HB3 MET 79 HB3 MET 79 12.778 -15.004 -1.426 86 HG2 MET 79 HG2 MET 79 10.992 -16.545 -0.533 87 HG3 MET 79 HG3 MET 79 12.267 -17.471 0.257 88 HE1 MET 79 HE1 MET 79 13.696 -15.374 2.944 89 HE2 MET 79 HE2 MET 79 14.375 -15.191 1.328 90 HE3 MET 79 HE3 MET 79 13.798 -16.768 1.859 91 H THR 80 H THR 80 12.007 -15.450 -4.329 92 HA THR 80 HA THR 80 14.389 -15.643 -5.965 93 HB THR 80 HB THR 80 13.150 -14.260 -7.548 94 HG1 THR 80 HG1 THR 80 11.849 -13.563 -5.283 95 HG21 THR 80 HG21 THR 80 11.087 -15.713 -7.737 96 HG22 THR 80 HG22 THR 80 11.546 -16.441 -6.197 97 HG23 THR 80 HG23 THR 80 12.605 -16.601 -7.599 98 H GLU 82 H GLU 82 15.336 -13.571 -6.878 99 HA GLU 82 HA GLU 82 16.510 -12.075 -4.814 100 HB2 GLU 82 HB2 GLU 82 17.434 -12.355 -7.127 101 HB3 GLU 82 HB3 GLU 82 16.194 -11.250 -7.713 102 HG2 GLU 82 HG2 GLU 82 18.056 -10.462 -5.467 103 HG3 GLU 82 HG3 GLU 82 18.525 -10.262 -7.153 104 H GLU 83 H GLU 83 13.802 -11.313 -6.991 105 HA GLU 83 HA GLU 83 13.355 -8.685 -6.025 106 HB2 GLU 83 HB2 GLU 83 12.453 -9.503 -8.171 107 HB3 GLU 83 HB3 GLU 83 11.387 -10.605 -7.296 108 HG2 GLU 83 HG2 GLU 83 10.267 -8.728 -6.214 109 HG3 GLU 83 HG3 GLU 83 11.390 -7.591 -6.960 110 H GLN 84 H GLN 84 12.008 -11.843 -5.109 111 HA GLN 84 HA GLN 84 10.112 -10.902 -3.270 112 HB2 GLN 84 HB2 GLN 84 10.225 -13.211 -4.233 113 HB3 GLN 84 HB3 GLN 84 11.610 -13.524 -3.186 114 HG2 GLN 84 HG2 GLN 84 10.246 -12.991 -1.216 115 HG3 GLN 84 HG3 GLN 84 8.866 -12.670 -2.260 116 HE21 GLN 84 HE21 GLN 84 10.397 -15.145 -3.798 117 HE22 GLN 84 HE22 GLN 84 9.614 -16.467 -3.077 118 H PHE 85 H PHE 85 13.524 -11.792 -2.921 119 HA PHE 85 HA PHE 85 13.672 -11.672 -0.114 120 HB2 PHE 85 HB2 PHE 85 15.459 -12.637 -1.474 121 HB3 PHE 85 HB3 PHE 85 15.793 -11.058 -2.185 122 HD1 PHE 85 HD1 PHE 85 15.708 -12.915 1.045 123 HD2 PHE 85 HD2 PHE 85 17.200 -9.495 -1.081 124 HE1 PHE 85 HE1 PHE 85 17.201 -12.382 2.951 125 HE2 PHE 85 HE2 PHE 85 18.694 -8.961 0.825 126 HZ PHE 85 HZ PHE 85 18.694 -10.406 2.842 127 H ALA 86 H ALA 86 14.319 -9.180 -2.577 128 HA ALA 86 HA ALA 86 14.969 -7.111 -0.768 129 HB1 ALA 86 HB1 ALA 86 13.766 -6.923 -3.540 130 HB2 ALA 86 HB2 ALA 86 15.488 -6.977 -3.160 131 HB3 ALA 86 HB3 ALA 86 14.515 -5.594 -2.655 132 H LEU 87 H LEU 87 11.892 -8.154 -2.178 133 HA LEU 87 HA LEU 87 10.335 -6.008 -1.193 134 HB2 LEU 87 HB2 LEU 87 9.835 -7.994 -2.940 135 HB3 LEU 87 HB3 LEU 87 9.088 -8.714 -1.520 136 HG LEU 87 HG LEU 87 7.399 -7.450 -2.704 137 HD11 LEU 87 HD11 LEU 87 8.163 -5.636 -0.421 138 HD12 LEU 87 HD12 LEU 87 7.646 -7.294 -0.117 139 HD13 LEU 87 HD13 LEU 87 6.558 -6.167 -0.922 140 HD21 LEU 87 HD21 LEU 87 7.727 -5.414 -3.698 141 HD22 LEU 87 HD22 LEU 87 9.438 -5.796 -3.551 142 HD23 LEU 87 HD23 LEU 87 8.658 -4.778 -2.345 143 H ALA 88 H ALA 88 11.237 -9.143 0.148 144 HA ALA 88 HA ALA 88 9.538 -9.155 2.388 145 HB1 ALA 88 HB1 ALA 88 12.334 -10.298 2.163 146 HB2 ALA 88 HB2 ALA 88 10.864 -11.114 1.633 147 HB3 ALA 88 HB3 ALA 88 11.111 -10.765 3.344 148 H LEU 89 H LEU 89 12.773 -7.796 1.896 149 HA LEU 89 HA LEU 89 13.192 -6.938 4.564 150 HB2 LEU 89 HB2 LEU 89 14.299 -5.936 1.933 151 HB3 LEU 89 HB3 LEU 89 14.866 -5.385 3.507 152 HG LEU 89 HG LEU 89 14.835 -8.291 2.639 153 HD11 LEU 89 HD11 LEU 89 16.995 -6.180 2.533 154 HD12 LEU 89 HD12 LEU 89 16.418 -7.214 1.225 155 HD13 LEU 89 HD13 LEU 89 17.367 -7.903 2.541 156 HD21 LEU 89 HD21 LEU 89 14.931 -8.388 4.964 157 HD22 LEU 89 HD22 LEU 89 15.712 -6.816 5.111 158 HD23 LEU 89 HD23 LEU 89 16.646 -8.220 4.607 159 H LYS 90 H LYS 90 11.751 -5.371 1.738 160 HA LYS 90 HA LYS 90 11.397 -2.813 2.890 161 HB2 LYS 90 HB2 LYS 90 9.946 -4.251 0.664 162 HB3 LYS 90 HB3 LYS 90 9.618 -2.575 1.095 163 HG2 LYS 90 HG2 LYS 90 12.457 -3.438 0.552 164 HG3 LYS 90 HG3 LYS 90 11.375 -3.117 -0.800 165 HD2 LYS 90 HD2 LYS 90 10.932 -0.854 0.079 166 HD3 LYS 90 HD3 LYS 90 12.014 -1.162 1.435 167 HE2 LYS 90 HE2 LYS 90 13.185 0.079 -0.334 168 HE3 LYS 90 HE3 LYS 90 13.881 -1.529 -0.137 169 HZ1 LYS 90 HZ1 LYS 90 12.502 -2.289 -1.991 170 HZ2 LYS 90 HZ2 LYS 90 13.560 -1.045 -2.459 171 HZ3 LYS 90 HZ3 LYS 90 11.914 -0.711 -2.205 172 H MET 91 H MET 91 9.326 -5.683 2.798 173 HA MET 91 HA MET 91 7.042 -4.497 3.976 174 HB2 MET 91 HB2 MET 91 7.068 -6.708 2.799 175 HB3 MET 91 HB3 MET 91 7.924 -7.387 4.178 176 HG2 MET 91 HG2 MET 91 5.556 -7.853 4.448 177 HG3 MET 91 HG3 MET 91 6.025 -6.658 5.652 178 HE1 MET 91 HE1 MET 91 4.970 -6.738 1.807 179 HE2 MET 91 HE2 MET 91 3.306 -6.206 2.020 180 HE3 MET 91 HE3 MET 91 3.865 -7.670 2.826 181 H SER 92 H SER 92 9.871 -6.123 5.338 182 HA SER 92 HA SER 92 9.013 -6.220 8.016 183 HB2 SER 92 HB2 SER 92 10.963 -7.470 7.209 184 HB3 SER 92 HB3 SER 92 11.821 -5.961 6.913 185 HG SER 92 HG SER 92 10.941 -7.046 9.380 186 H GLU 93 H GLU 93 10.757 -3.719 6.197 187 HA GLU 93 HA GLU 93 11.254 -1.989 8.374 188 HB2 GLU 93 HB2 GLU 93 10.919 -1.445 5.418 189 HB3 GLU 93 HB3 GLU 93 11.431 -0.224 6.584 190 HG2 GLU 93 HG2 GLU 93 12.839 -2.881 6.230 191 HG3 GLU 93 HG3 GLU 93 13.327 -1.407 5.394 192 H GLN 94 H GLN 94 8.502 -2.307 6.170 193 HA GLN 94 HA GLN 94 7.103 -0.004 7.052 194 HB2 GLN 94 HB2 GLN 94 6.167 -2.560 5.742 195 HB3 GLN 94 HB3 GLN 94 5.096 -1.201 6.086 196 HG2 GLN 94 HG2 GLN 94 6.551 0.282 4.748 197 HG3 GLN 94 HG3 GLN 94 7.604 -1.086 4.388 198 HE21 GLN 94 HE21 GLN 94 7.158 -1.095 2.095 199 HE22 GLN 94 HE22 GLN 94 5.633 -1.514 1.477 200 H GLU 95 H GLU 95 7.176 -3.347 8.159 201 HA GLU 95 HA GLU 95 5.074 -2.930 10.111 202 HB2 GLU 95 HB2 GLU 95 6.967 -5.256 9.700 203 HB3 GLU 95 HB3 GLU 95 5.574 -5.247 10.781 204 HG2 GLU 95 HG2 GLU 95 5.411 -4.738 7.798 205 HG3 GLU 95 HG3 GLU 95 5.096 -6.299 8.552 206 H ALA 96 H ALA 96 8.193 -1.923 9.978 207 HA ALA 96 HA ALA 96 9.616 -1.052 11.549 208 HB1 ALA 96 HB1 ALA 96 7.644 -1.750 13.711 209 HB2 ALA 96 HB2 ALA 96 7.335 -0.418 12.602 210 HB3 ALA 96 HB3 ALA 96 8.766 -0.394 13.631 211 H ARG 97 H ARG 97 9.544 -3.881 10.809 212 HA ARG 97 HA ARG 97 10.582 -5.849 11.346 213 HB2 ARG 97 HB2 ARG 97 12.015 -4.044 13.310 214 HB3 ARG 97 HB3 ARG 97 12.497 -5.696 12.928 215 HG2 ARG 97 HG2 ARG 97 12.730 -5.058 10.542 216 HG3 ARG 97 HG3 ARG 97 12.307 -3.398 10.961 217 HD2 ARG 97 HD2 ARG 97 14.254 -3.293 12.482 218 HD3 ARG 97 HD3 ARG 97 14.684 -4.943 12.035 219 HE ARG 97 HE ARG 97 15.086 -2.555 10.437 220 HH11 ARG 97 HH21 ARG 97 14.740 -5.994 10.515 221 HH12 ARG 97 HH22 ARG 97 15.593 -6.256 9.032 222 HH21 ARG 97 HH11 ARG 97 16.208 -2.887 8.486 223 HH22 ARG 97 HH12 ARG 97 16.425 -4.495 7.882 224 H GLU 98 H GLU 98 8.083 -5.041 12.757 225 HA GLU 98 HA GLU 98 8.400 -6.377 15.370 226 HB2 GLU 98 HB2 GLU 98 6.118 -4.827 14.132 227 HB3 GLU 98 HB3 GLU 98 6.032 -5.626 15.704 228 HG2 GLU 98 HG2 GLU 98 8.172 -3.609 15.000 229 HG3 GLU 98 HG3 GLU 98 6.656 -3.162 15.780 230 H VAL 99 H VAL 99 6.371 -6.558 12.443 231 HA VAL 99 HA VAL 99 5.381 -9.201 13.224 232 HB VAL 99 HB VAL 99 4.833 -7.743 10.649 233 HG11 VAL 99 HG11 VAL 99 2.727 -9.044 10.777 234 HG12 VAL 99 HG12 VAL 99 3.296 -9.793 12.268 235 HG13 VAL 99 HG13 VAL 99 4.147 -10.089 10.751 236 HG21 VAL 99 HG21 VAL 99 3.420 -7.474 13.327 237 HG22 VAL 99 HG22 VAL 99 2.835 -6.797 11.808 238 HG23 VAL 99 HG23 VAL 99 4.340 -6.210 12.514 239 H ASN 100 H ASN 100 5.762 -11.076 12.027 240 HA ASN 100 HA ASN 100 8.341 -11.194 10.746 241 HB2 ASN 100 HB2 ASN 100 7.328 -13.003 12.194 242 HB3 ASN 100 HB3 ASN 100 6.213 -13.338 10.873 243 HD21 ASN 100 HD21 ASN 100 7.009 -15.358 10.168 244 HD22 ASN 100 HD22 ASN 100 8.595 -15.599 9.617 245 H SER 101 H SER 101 8.686 -10.734 8.674 246 HA SER 101 HA SER 101 6.509 -10.542 6.768 247 HB2 SER 101 HB2 SER 101 9.481 -10.091 6.480 248 HB3 SER 101 HB3 SER 101 8.306 -9.837 5.192 249 HG SER 101 HG SER 101 7.645 -8.679 7.599 250 H GLN 102 H GLN 102 8.928 -12.850 7.656 251 HA GLN 102 HA GLN 102 9.202 -14.286 5.258 252 HB2 GLN 102 HB2 GLN 102 9.483 -15.071 8.155 253 HB3 GLN 102 HB3 GLN 102 9.775 -16.218 6.849 254 HG2 GLN 102 HG2 GLN 102 11.880 -15.176 7.501 255 HG3 GLN 102 HG3 GLN 102 11.442 -14.643 5.881 256 HE21 GLN 102 HE21 GLN 102 12.110 -12.497 5.739 257 HE22 GLN 102 HE22 GLN 102 11.787 -11.304 6.902 258 H GLU 103 H GLU 103 6.825 -14.649 7.883 259 HA GLU 103 HA GLU 103 5.628 -17.002 6.834 260 HB2 GLU 103 HB2 GLU 103 3.874 -16.615 8.425 261 HB3 GLU 103 HB3 GLU 103 5.375 -16.091 9.189 262 HG2 GLU 103 HG2 GLU 103 4.824 -13.754 8.292 263 HG3 GLU 103 HG3 GLU 103 3.215 -14.375 7.959 264 H GLU 104 H GLU 104 4.970 -13.546 6.415 265 HA GLU 104 HA GLU 104 2.596 -13.848 4.888 266 HB2 GLU 104 HB2 GLU 104 4.603 -11.589 5.050 267 HB3 GLU 104 HB3 GLU 104 3.070 -11.487 4.183 268 HG2 GLU 104 HG2 GLU 104 1.856 -12.020 6.271 269 HG3 GLU 104 HG3 GLU 104 3.390 -12.095 7.135 270 H GLU 105 H GLU 105 6.020 -13.559 4.007 271 HA GLU 105 HA GLU 105 5.651 -13.393 1.209 272 HB2 GLU 105 HB2 GLU 105 7.955 -14.331 2.920 273 HB3 GLU 105 HB3 GLU 105 8.043 -14.290 1.158 274 HG2 GLU 105 HG2 GLU 105 7.258 -11.888 2.823 275 HG3 GLU 105 HG3 GLU 105 8.918 -12.213 2.333 276 H GLU 106 H GLU 106 6.074 -16.160 3.389 277 HA GLU 106 HA GLU 106 6.228 -18.148 1.385 278 HB2 GLU 106 HB2 GLU 106 5.353 -18.245 4.273 279 HB3 GLU 106 HB3 GLU 106 5.475 -19.681 3.256 280 HG2 GLU 106 HG2 GLU 106 7.827 -19.314 2.890 281 HG3 GLU 106 HG3 GLU 106 7.757 -17.734 3.667 282 H GLU 107 H GLU 107 3.494 -16.698 3.099 283 HA GLU 107 HA GLU 107 1.488 -18.435 2.164 284 HB2 GLU 107 HB2 GLU 107 1.168 -16.821 4.009 285 HB3 GLU 107 HB3 GLU 107 1.249 -15.497 2.848 286 HG2 GLU 107 HG2 GLU 107 -0.722 -16.375 1.674 287 HG3 GLU 107 HG3 GLU 107 -0.782 -17.747 2.779 288 H GLU 108 H GLU 108 2.817 -15.440 0.792 289 HA GLU 108 HA GLU 108 0.998 -15.191 -1.352 290 HB2 GLU 108 HB2 GLU 108 3.868 -14.283 -1.051 291 HB3 GLU 108 HB3 GLU 108 2.829 -13.822 -2.400 292 HG2 GLU 108 HG2 GLU 108 2.097 -13.360 0.501 293 HG3 GLU 108 HG3 GLU 108 2.887 -12.149 -0.507 294 H LEU 109 H LEU 109 4.118 -16.853 -1.093 295 HA LEU 109 HA LEU 109 4.208 -17.680 -3.826 296 HB2 LEU 109 HB2 LEU 109 5.710 -18.312 -1.324 297 HB3 LEU 109 HB3 LEU 109 5.825 -19.482 -2.633 298 HG LEU 109 HG LEU 109 7.613 -17.703 -2.662 299 HD11 LEU 109 HD11 LEU 109 6.418 -18.912 -4.777 300 HD12 LEU 109 HD12 LEU 109 7.727 -17.752 -4.957 301 HD13 LEU 109 HD13 LEU 109 6.060 -17.231 -5.172 302 HD21 LEU 109 HD21 LEU 109 5.501 -15.794 -3.665 303 HD22 LEU 109 HD22 LEU 109 7.109 -15.442 -3.053 304 HD23 LEU 109 HD23 LEU 109 5.832 -15.911 -1.939 305 H LEU 110 H LEU 110 2.942 -19.115 -0.865 306 HA LEU 110 HA LEU 110 2.435 -21.687 -1.883 307 HB2 LEU 110 HB2 LEU 110 2.332 -21.163 0.516 308 HB3 LEU 110 HB3 LEU 110 0.931 -20.132 0.240 309 HG LEU 110 HG LEU 110 -0.349 -22.085 -0.577 310 HD11 LEU 110 HD11 LEU 110 2.311 -23.440 -0.163 311 HD12 LEU 110 HD12 LEU 110 1.175 -23.600 -1.503 312 HD13 LEU 110 HD13 LEU 110 0.827 -24.372 0.041 313 HD21 LEU 110 HD21 LEU 110 -0.245 -21.431 1.864 314 HD22 LEU 110 HD22 LEU 110 0.968 -22.693 2.082 315 HD23 LEU 110 HD23 LEU 110 -0.667 -23.118 1.574 316 H ARG 111 H ARG 111 0.424 -18.755 -1.794 317 HA ARG 111 HA ARG 111 -1.884 -19.890 -2.944 318 HB2 ARG 111 HB2 ARG 111 -1.856 -17.692 -1.812 319 HB3 ARG 111 HB3 ARG 111 -0.907 -17.033 -3.144 320 HG2 ARG 111 HG2 ARG 111 -2.718 -17.540 -4.721 321 HG3 ARG 111 HG3 ARG 111 -3.661 -18.272 -3.421 322 HD2 ARG 111 HD2 ARG 111 -2.738 -15.389 -3.473 323 HD3 ARG 111 HD3 ARG 111 -4.357 -15.932 -3.904 324 HE ARG 111 HE ARG 111 -3.259 -15.723 -1.230 325 HH11 ARG 111 HH21 ARG 111 -5.597 -17.191 -3.314 326 HH12 ARG 111 HH22 ARG 111 -6.715 -17.544 -2.038 327 HH21 ARG 111 HH11 ARG 111 -4.717 -16.187 0.450 328 HH22 ARG 111 HH12 ARG 111 -6.218 -16.977 0.093 329 H LYS 112 H LYS 112 0.915 -18.261 -4.421 330 HA LYS 112 HA LYS 112 -0.036 -18.303 -7.079 331 HB2 LYS 112 HB2 LYS 112 2.769 -18.289 -5.950 332 HB3 LYS 112 HB3 LYS 112 2.411 -18.130 -7.671 333 HG2 LYS 112 HG2 LYS 112 1.030 -16.144 -7.209 334 HG3 LYS 112 HG3 LYS 112 1.371 -16.301 -5.488 335 HD2 LYS 112 HD2 LYS 112 3.779 -16.012 -5.932 336 HD3 LYS 112 HD3 LYS 112 3.441 -15.856 -7.657 337 HE2 LYS 112 HE2 LYS 112 2.059 -13.864 -7.213 338 HE3 LYS 112 HE3 LYS 112 2.385 -14.020 -5.487 339 HZ1 LYS 112 HZ1 LYS 112 3.853 -12.410 -6.570 340 HZ2 LYS 112 HZ2 LYS 112 4.452 -13.634 -7.584 341 HZ3 LYS 112 HZ3 LYS 112 4.722 -13.709 -5.908 342 H ALA 113 H ALA 113 1.854 -20.646 -5.207 343 HA ALA 113 HA ALA 113 2.414 -22.434 -7.311 344 HB1 ALA 113 HB1 ALA 113 2.029 -23.003 -4.364 345 HB2 ALA 113 HB2 ALA 113 3.546 -22.564 -5.147 346 HB3 ALA 113 HB3 ALA 113 2.771 -24.102 -5.527 347 H ILE 114 H ILE 114 -0.343 -22.179 -5.111 348 HA ILE 114 HA ILE 114 -1.650 -24.555 -5.886 349 HB ILE 114 HB ILE 114 -2.706 -21.948 -4.770 350 HG12 ILE 114 HG12 ILE 114 -1.120 -23.522 -3.424 351 HG13 ILE 114 HG13 ILE 114 -2.595 -22.959 -2.651 352 HG21 ILE 114 HG21 ILE 114 -4.598 -22.897 -5.820 353 HG22 ILE 114 HG22 ILE 114 -4.713 -23.454 -4.150 354 HG23 ILE 114 HG23 ILE 114 -4.113 -24.541 -5.402 355 HD11 ILE 114 HD11 ILE 114 -1.947 -25.513 -2.540 356 HD12 ILE 114 HD12 ILE 114 -2.653 -25.566 -4.153 357 HD13 ILE 114 HD13 ILE 114 -3.623 -25.043 -2.780 358 H ALA 115 H ALA 115 -1.909 -21.215 -7.091 359 HA ALA 115 HA ALA 115 -3.986 -21.673 -8.941 360 HB1 ALA 115 HB1 ALA 115 -3.375 -19.414 -8.380 361 HB2 ALA 115 HB2 ALA 115 -3.055 -19.637 -10.101 362 HB3 ALA 115 HB3 ALA 115 -1.723 -19.663 -8.945 363 H GLU 116 H GLU 116 -0.454 -21.914 -9.280 364 HA GLU 116 HA GLU 116 -0.465 -22.521 -12.055 365 HB2 GLU 116 HB2 GLU 116 1.525 -22.896 -9.826 366 HB3 GLU 116 HB3 GLU 116 1.841 -23.576 -11.422 367 HG2 GLU 116 HG2 GLU 116 2.843 -21.356 -11.272 368 HG3 GLU 116 HG3 GLU 116 1.512 -21.324 -12.423 369 H SER 117 H SER 117 -0.569 -24.548 -9.145 370 HA SER 117 HA SER 117 -0.314 -27.041 -10.440 371 HB2 SER 117 HB2 SER 117 -1.709 -26.287 -7.864 372 HB3 SER 117 HB3 SER 117 -1.433 -27.946 -8.389 373 HG SER 117 HG SER 117 0.710 -27.674 -8.154 374 H LEU 118 H LEU 118 -3.150 -25.059 -9.679 375 HA LEU 118 HA LEU 118 -5.057 -26.961 -10.628 376 HB2 LEU 118 HB2 LEU 118 -5.237 -23.980 -10.158 377 HB3 LEU 118 HB3 LEU 118 -6.613 -24.993 -10.587 378 HG LEU 118 HG LEU 118 -4.837 -25.467 -8.173 379 HD11 LEU 118 HD11 LEU 118 -5.979 -23.413 -7.770 380 HD12 LEU 118 HD12 LEU 118 -6.923 -24.649 -6.937 381 HD13 LEU 118 HD13 LEU 118 -7.472 -24.019 -8.490 382 HD21 LEU 118 HD21 LEU 118 -7.254 -26.832 -9.334 383 HD22 LEU 118 HD22 LEU 118 -7.104 -26.764 -7.580 384 HD23 LEU 118 HD23 LEU 118 -5.846 -27.532 -8.541 385 H ASN 119 H ASN 119 -3.321 -24.264 -12.086 386 HA ASN 119 HA ASN 119 -4.794 -24.361 -14.561 387 HB2 ASN 119 HB2 ASN 119 -2.238 -22.972 -13.737 388 HB3 ASN 119 HB3 ASN 119 -2.944 -22.828 -15.346 389 HD21 ASN 119 HD21 ASN 119 -2.681 -20.584 -13.524 390 HD22 ASN 119 HD22 ASN 119 -4.248 -20.073 -13.116 391 H SER 120 H SER 120 -2.366 -26.267 -13.203 392 HA SER 120 HA SER 120 -0.771 -26.866 -15.463 393 HB2 SER 120 HB2 SER 120 -0.085 -27.486 -13.191 394 HB3 SER 120 HB3 SER 120 -1.455 -28.584 -13.063 395 HG SER 120 HG SER 120 0.667 -29.479 -13.728 396 H CYS 121 H CYS 121 -0.995 -28.358 -17.078 397 HA CYS 121 HA CYS 121 -3.602 -29.774 -17.265 398 HB2 CYS 121 HB2 CYS 121 -1.855 -28.669 -19.477 399 HB3 CYS 121 HB3 CYS 121 -3.356 -29.564 -19.710 400 HG CYS 121 HG CYS 121 -3.381 -26.875 -18.115 401 H ARG 122 H ARG 122 -3.591 -31.863 -18.233 402 HA ARG 122 HA ARG 122 -1.487 -33.509 -17.409 403 HB2 ARG 122 HB2 ARG 122 -3.822 -34.260 -17.800 404 HB3 ARG 122 HB3 ARG 122 -3.535 -34.131 -19.538 405 HG2 ARG 122 HG2 ARG 122 -1.704 -35.757 -19.385 406 HG3 ARG 122 HG3 ARG 122 -1.916 -35.853 -17.636 407 HD2 ARG 122 HD2 ARG 122 -4.220 -36.690 -17.972 408 HD3 ARG 122 HD3 ARG 122 -3.979 -36.631 -19.715 409 HE ARG 122 HE ARG 122 -2.877 -38.597 -17.872 410 HH11 ARG 122 HH21 ARG 122 -2.730 -37.087 -20.986 411 HH12 ARG 122 HH22 ARG 122 -1.918 -38.417 -21.743 412 HH21 ARG 122 HH11 ARG 122 -1.824 -40.345 -18.863 413 HH22 ARG 122 HH12 ARG 122 -1.407 -40.260 -20.543 414 HA PRO 123 HA PRO 123 1.533 -32.728 -20.725 415 HB2 PRO 123 HB2 PRO 123 2.292 -35.574 -20.108 416 HB3 PRO 123 HB3 PRO 123 3.333 -34.146 -20.287 417 HG2 PRO 123 HG2 PRO 123 2.794 -35.104 -17.893 418 HG3 PRO 123 HG3 PRO 123 2.822 -33.352 -18.169 419 HD2 PRO 123 HD2 PRO 123 0.455 -35.169 -17.821 420 HD3 PRO 123 HD3 PRO 123 0.695 -33.486 -17.284 421 H SER 124 H SER 124 1.580 -33.128 -22.915 422 HA SER 124 HA SER 124 -0.522 -34.559 -24.147 423 HB2 SER 124 HB2 SER 124 0.581 -32.701 -25.278 424 HB3 SER 124 HB3 SER 124 2.106 -33.581 -25.293 425 HG SER 124 HG SER 124 0.779 -35.254 -26.445 426 H ASP 125 H ASP 125 -0.635 -36.568 -25.058 427 HA ASP 125 HA ASP 125 0.968 -38.639 -24.020 428 HB2 ASP 125 HB2 ASP 125 -0.916 -38.531 -26.379 429 HB3 ASP 125 HB3 ASP 125 -0.132 -40.017 -25.844 430 H ALA 126 H ALA 126 2.691 -39.772 -24.827 431 HA ALA 126 HA ALA 126 4.502 -38.449 -26.534 432 HB1 ALA 126 HB1 ALA 126 5.076 -40.202 -24.814 433 HB2 ALA 126 HB2 ALA 126 5.851 -40.431 -26.383 434 HB3 ALA 126 HB3 ALA 126 4.456 -41.414 -25.937 435 H SER 127 H SER 127 2.090 -40.952 -27.134 436 HA SER 127 HA SER 127 2.902 -41.318 -29.896 437 HB2 SER 127 HB2 SER 127 0.512 -42.332 -28.344 438 HB3 SER 127 HB3 SER 127 0.894 -42.785 -30.002 439 HG SER 127 HG SER 127 2.201 -44.194 -29.175 440 H ALA 128 H ALA 128 1.030 -39.095 -28.179 441 HA ALA 128 HA ALA 128 -0.126 -37.244 -28.921 442 HB1 ALA 128 HB1 ALA 128 1.371 -37.680 -31.061 443 HB2 ALA 128 HB2 ALA 128 0.003 -36.573 -31.139 444 HB3 ALA 128 HB3 ALA 128 -0.157 -38.214 -31.762 445 H THR 129 H THR 129 -1.114 -40.201 -28.593 446 HA THR 129 HA THR 129 -3.608 -40.228 -30.039 447 HB THR 129 HB THR 129 -2.439 -42.316 -29.407 448 HG1 THR 129 HG1 THR 129 -4.594 -42.769 -27.915 449 HG21 THR 129 HG21 THR 129 -3.278 -41.683 -26.571 450 HG22 THR 129 HG22 THR 129 -1.651 -41.370 -27.179 451 HG23 THR 129 HG23 THR 129 -2.271 -43.020 -27.127 452 H ARG 130 H ARG 130 -5.685 -39.958 -29.193 453 HA ARG 130 HA ARG 130 -5.933 -37.942 -27.183 454 HB2 ARG 130 HB2 ARG 130 -7.995 -39.654 -28.588 455 HB3 ARG 130 HB3 ARG 130 -8.393 -38.336 -27.484 456 HG2 ARG 130 HG2 ARG 130 -7.083 -36.778 -28.926 457 HG3 ARG 130 HG3 ARG 130 -6.805 -38.103 -30.057 458 HD2 ARG 130 HD2 ARG 130 -9.238 -38.353 -30.369 459 HD3 ARG 130 HD3 ARG 130 -9.520 -37.032 -29.237 460 HE ARG 130 HE ARG 130 -7.792 -36.173 -31.325 461 HH11 ARG 130 HH21 ARG 130 -11.071 -37.026 -30.618 462 HH12 ARG 130 HH22 ARG 130 -11.746 -36.011 -31.848 463 HH21 ARG 130 HH11 ARG 130 -8.671 -34.839 -32.941 464 HH22 ARG 130 HH12 ARG 130 -10.387 -34.773 -33.164 465 H SER 131 H SER 131 -6.621 -38.089 -25.086 466 HA SER 131 HA SER 131 -6.672 -39.070 -22.994 467 HB2 SER 131 HB2 SER 131 -8.595 -40.787 -24.571 468 HB3 SER 131 HB3 SER 131 -8.442 -40.844 -22.817 469 HG SER 131 HG SER 131 -8.941 -38.475 -24.299 Start of MODEL 20 1 H1 GLY -4 H1 GLY -4 -0.307 -31.825 3.854 2 H2 GLY -4 H2 GLY -4 -1.802 -32.224 4.554 3 H3 GLY -4 H3 GLY -4 -1.546 -30.670 3.917 4 HA2 GLY -4 HA2 GLY -4 -2.278 -33.122 2.578 5 HA3 GLY -4 HA3 GLY -4 -2.575 -31.449 2.105 6 HA PRO -3 HA PRO -3 0.938 -31.142 -0.557 7 HB2 PRO -3 HB2 PRO -3 2.715 -29.778 1.432 8 HB3 PRO -3 HB3 PRO -3 2.197 -29.234 -0.178 9 HG2 PRO -3 HG2 PRO -3 1.179 -28.152 2.029 10 HG3 PRO -3 HG3 PRO -3 0.168 -28.438 0.598 11 HD2 PRO -3 HD2 PRO -3 0.302 -30.013 3.158 12 HD3 PRO -3 HD3 PRO -3 -1.112 -29.610 2.156 13 H LEU -2 H LEU -2 2.784 -32.294 -1.174 14 HA LEU -2 HA LEU -2 3.444 -34.588 0.304 15 HB2 LEU -2 HB2 LEU -2 3.751 -34.450 -2.131 16 HB3 LEU -2 HB3 LEU -2 5.008 -33.235 -1.911 17 HG LEU -2 HG LEU -2 6.367 -34.884 -0.641 18 HD11 LEU -2 HD11 LEU -2 4.887 -36.398 0.352 19 HD12 LEU -2 HD12 LEU -2 5.517 -37.350 -0.989 20 HD13 LEU -2 HD13 LEU -2 3.932 -36.591 -1.117 21 HD21 LEU -2 HD21 LEU -2 6.559 -34.623 -3.130 22 HD22 LEU -2 HD22 LEU -2 5.456 -35.987 -3.311 23 HD23 LEU -2 HD23 LEU -2 7.028 -36.221 -2.547 24 H GLY -1 H GLY -1 5.153 -31.500 -0.097 25 HA2 GLY -1 HA2 GLY -1 6.246 -31.422 2.474 26 HA3 GLY -1 HA3 GLY -1 7.435 -32.194 1.429 27 H SER 0 H SER 0 8.735 -30.276 2.005 28 HA SER 0 HA SER 0 8.045 -27.652 1.249 29 HB2 SER 0 HB2 SER 0 10.746 -28.973 1.552 30 HB3 SER 0 HB3 SER 0 10.517 -27.244 1.305 31 HG SER 0 HG SER 0 10.433 -28.563 3.570 32 H ARG 74 H ARG 74 8.845 -30.368 -0.634 33 HA ARG 74 HA ARG 74 10.103 -29.112 -2.838 34 HB2 ARG 74 HB2 ARG 74 8.514 -31.670 -2.573 35 HB3 ARG 74 HB3 ARG 74 9.287 -31.182 -4.079 36 HG2 ARG 74 HG2 ARG 74 10.916 -31.238 -1.542 37 HG3 ARG 74 HG3 ARG 74 10.575 -32.749 -2.378 38 HD2 ARG 74 HD2 ARG 74 11.788 -30.338 -3.762 39 HD3 ARG 74 HD3 ARG 74 12.744 -31.632 -3.050 40 HE ARG 74 HE ARG 74 10.881 -32.841 -4.732 41 HH11 ARG 74 HH21 ARG 74 13.505 -30.597 -4.910 42 HH12 ARG 74 HH22 ARG 74 13.951 -31.036 -6.525 43 HH21 ARG 74 HH11 ARG 74 11.455 -33.424 -6.845 44 HH22 ARG 74 HH12 ARG 74 12.790 -32.640 -7.622 45 H LYS 75 H LYS 75 6.778 -29.382 -1.842 46 HA LYS 75 HA LYS 75 5.739 -28.533 -4.416 47 HB2 LYS 75 HB2 LYS 75 4.372 -28.960 -1.757 48 HB3 LYS 75 HB3 LYS 75 3.546 -28.638 -3.278 49 HG2 LYS 75 HG2 LYS 75 5.401 -30.999 -2.881 50 HG3 LYS 75 HG3 LYS 75 3.664 -31.090 -2.599 51 HD2 LYS 75 HD2 LYS 75 3.354 -30.243 -4.982 52 HD3 LYS 75 HD3 LYS 75 5.080 -30.503 -5.213 53 HE2 LYS 75 HE2 LYS 75 4.830 -32.869 -4.612 54 HE3 LYS 75 HE3 LYS 75 3.099 -32.625 -4.367 55 HZ1 LYS 75 HZ1 LYS 75 4.641 -32.643 -6.860 56 HZ2 LYS 75 HZ2 LYS 75 3.259 -31.660 -6.769 57 HZ3 LYS 75 HZ3 LYS 75 3.131 -33.336 -6.522 58 H ILE 76 H ILE 76 7.135 -27.039 -1.850 59 HA ILE 76 HA ILE 76 5.518 -24.604 -1.937 60 HB ILE 76 HB ILE 76 7.895 -25.506 -0.308 61 HG12 ILE 76 HG12 ILE 76 6.379 -25.130 1.547 62 HG13 ILE 76 HG13 ILE 76 5.204 -24.350 0.490 63 HG21 ILE 76 HG21 ILE 76 6.865 -22.694 -0.713 64 HG22 ILE 76 HG22 ILE 76 8.532 -23.263 -0.728 65 HG23 ILE 76 HG23 ILE 76 7.650 -23.169 0.795 66 HD11 ILE 76 HD11 ILE 76 4.768 -26.815 1.109 67 HD12 ILE 76 HD12 ILE 76 6.105 -27.193 0.023 68 HD13 ILE 76 HD13 ILE 76 4.666 -26.388 -0.599 69 H ALA 77 H ALA 77 5.912 -22.925 -3.205 70 HA ALA 77 HA ALA 77 7.976 -22.991 -5.176 71 HB1 ALA 77 HB1 ALA 77 5.729 -21.865 -5.427 72 HB2 ALA 77 HB2 ALA 77 7.106 -20.871 -5.898 73 HB3 ALA 77 HB3 ALA 77 6.316 -20.604 -4.344 74 H GLN 78 H GLN 78 9.909 -21.917 -5.258 75 HA GLN 78 HA GLN 78 11.001 -20.972 -2.733 76 HB2 GLN 78 HB2 GLN 78 12.219 -21.325 -5.480 77 HB3 GLN 78 HB3 GLN 78 13.116 -20.779 -4.061 78 HG2 GLN 78 HG2 GLN 78 12.503 -22.863 -2.880 79 HG3 GLN 78 HG3 GLN 78 11.628 -23.411 -4.309 80 HE21 GLN 78 HE21 GLN 78 14.017 -21.878 -5.805 81 HE22 GLN 78 HE22 GLN 78 15.213 -23.082 -5.851 82 H MET 79 H MET 79 11.716 -18.901 -2.294 83 HA MET 79 HA MET 79 10.378 -16.777 -3.721 84 HB2 MET 79 HB2 MET 79 12.281 -16.803 -1.374 85 HB3 MET 79 HB3 MET 79 11.564 -15.330 -2.026 86 HG2 MET 79 HG2 MET 79 9.297 -16.354 -1.683 87 HG3 MET 79 HG3 MET 79 10.081 -17.707 -0.869 88 HE1 MET 79 HE1 MET 79 11.104 -17.773 1.240 89 HE2 MET 79 HE2 MET 79 11.375 -16.464 2.385 90 HE3 MET 79 HE3 MET 79 12.372 -16.577 0.940 91 H THR 80 H THR 80 11.205 -15.427 -5.199 92 HA THR 80 HA THR 80 13.835 -15.992 -6.288 93 HB THR 80 HB THR 80 13.230 -14.491 -8.069 94 HG1 THR 80 HG1 THR 80 12.090 -13.112 -6.336 95 HG21 THR 80 HG21 THR 80 11.108 -15.509 -8.804 96 HG22 THR 80 HG22 THR 80 10.814 -16.082 -7.163 97 HG23 THR 80 HG23 THR 80 12.173 -16.720 -8.088 98 H GLU 82 H GLU 82 15.209 -14.046 -6.927 99 HA GLU 82 HA GLU 82 16.225 -12.826 -4.624 100 HB2 GLU 82 HB2 GLU 82 17.500 -13.089 -6.728 101 HB3 GLU 82 HB3 GLU 82 16.467 -11.886 -7.498 102 HG2 GLU 82 HG2 GLU 82 17.200 -10.190 -5.873 103 HG3 GLU 82 HG3 GLU 82 18.202 -11.389 -5.058 104 H GLU 83 H GLU 83 13.885 -11.654 -7.018 105 HA GLU 83 HA GLU 83 13.708 -8.995 -6.097 106 HB2 GLU 83 HB2 GLU 83 11.706 -10.767 -7.507 107 HB3 GLU 83 HB3 GLU 83 11.425 -9.056 -7.179 108 HG2 GLU 83 HG2 GLU 83 13.430 -8.456 -8.453 109 HG3 GLU 83 HG3 GLU 83 13.779 -10.159 -8.738 110 H GLN 84 H GLN 84 11.991 -11.946 -5.128 111 HA GLN 84 HA GLN 84 10.141 -10.717 -3.384 112 HB2 GLN 84 HB2 GLN 84 11.151 -13.473 -3.868 113 HB3 GLN 84 HB3 GLN 84 10.434 -13.198 -2.283 114 HG2 GLN 84 HG2 GLN 84 8.789 -13.976 -4.006 115 HG3 GLN 84 HG3 GLN 84 8.368 -12.425 -3.284 116 HE21 GLN 84 HE21 GLN 84 7.926 -10.771 -4.735 117 HE22 GLN 84 HE22 GLN 84 8.388 -10.766 -6.369 118 H PHE 85 H PHE 85 13.424 -11.902 -2.912 119 HA PHE 85 HA PHE 85 13.521 -11.700 -0.110 120 HB2 PHE 85 HB2 PHE 85 15.239 -12.859 -1.399 121 HB3 PHE 85 HB3 PHE 85 15.731 -11.338 -2.146 122 HD1 PHE 85 HD1 PHE 85 15.373 -13.055 1.152 123 HD2 PHE 85 HD2 PHE 85 17.274 -9.908 -1.069 124 HE1 PHE 85 HE1 PHE 85 16.866 -12.599 3.077 125 HE2 PHE 85 HE2 PHE 85 18.766 -9.451 0.857 126 HZ PHE 85 HZ PHE 85 18.563 -10.796 2.931 127 H ALA 86 H ALA 86 14.401 -9.330 -2.625 128 HA ALA 86 HA ALA 86 15.222 -7.285 -0.869 129 HB1 ALA 86 HB1 ALA 86 14.712 -5.774 -2.828 130 HB2 ALA 86 HB2 ALA 86 14.092 -7.195 -3.669 131 HB3 ALA 86 HB3 ALA 86 15.789 -7.122 -3.191 132 H LEU 87 H LEU 87 12.051 -8.068 -2.242 133 HA LEU 87 HA LEU 87 10.700 -5.794 -1.215 134 HB2 LEU 87 HB2 LEU 87 9.962 -8.384 -2.461 135 HB3 LEU 87 HB3 LEU 87 8.717 -7.690 -1.430 136 HG LEU 87 HG LEU 87 8.565 -6.983 -3.843 137 HD11 LEU 87 HD11 LEU 87 7.726 -4.931 -3.260 138 HD12 LEU 87 HD12 LEU 87 9.179 -4.444 -2.393 139 HD13 LEU 87 HD13 LEU 87 8.010 -5.509 -1.620 140 HD21 LEU 87 HD21 LEU 87 10.267 -5.862 -4.928 141 HD22 LEU 87 HD22 LEU 87 11.258 -6.804 -3.822 142 HD23 LEU 87 HD23 LEU 87 10.886 -5.122 -3.452 143 H ALA 88 H ALA 88 11.345 -9.002 0.092 144 HA ALA 88 HA ALA 88 9.666 -8.858 2.339 145 HB1 ALA 88 HB1 ALA 88 11.055 -10.611 3.265 146 HB2 ALA 88 HB2 ALA 88 12.364 -10.213 2.153 147 HB3 ALA 88 HB3 ALA 88 10.861 -10.899 1.536 148 H LEU 89 H LEU 89 13.007 -7.769 1.835 149 HA LEU 89 HA LEU 89 13.490 -6.954 4.503 150 HB2 LEU 89 HB2 LEU 89 14.679 -6.043 1.877 151 HB3 LEU 89 HB3 LEU 89 15.286 -5.532 3.452 152 HG LEU 89 HG LEU 89 15.037 -8.424 2.570 153 HD11 LEU 89 HD11 LEU 89 16.715 -7.448 1.193 154 HD12 LEU 89 HD12 LEU 89 17.588 -8.235 2.506 155 HD13 LEU 89 HD13 LEU 89 17.359 -6.489 2.526 156 HD21 LEU 89 HD21 LEU 89 15.983 -7.053 5.077 157 HD22 LEU 89 HD22 LEU 89 16.822 -8.517 4.563 158 HD23 LEU 89 HD23 LEU 89 15.095 -8.563 4.893 159 H LYS 90 H LYS 90 12.185 -5.263 1.687 160 HA LYS 90 HA LYS 90 12.021 -2.713 2.935 161 HB2 LYS 90 HB2 LYS 90 10.591 -3.893 0.550 162 HB3 LYS 90 HB3 LYS 90 10.427 -2.210 1.055 163 HG2 LYS 90 HG2 LYS 90 12.872 -1.910 0.854 164 HG3 LYS 90 HG3 LYS 90 13.029 -3.585 0.324 165 HD2 LYS 90 HD2 LYS 90 11.570 -3.107 -1.613 166 HD3 LYS 90 HD3 LYS 90 11.439 -1.427 -1.092 167 HE2 LYS 90 HE2 LYS 90 14.030 -2.831 -1.811 168 HE3 LYS 90 HE3 LYS 90 13.162 -1.702 -2.853 169 HZ1 LYS 90 HZ1 LYS 90 14.069 -0.006 -1.787 170 HZ2 LYS 90 HZ2 LYS 90 15.023 -1.094 -0.898 171 HZ3 LYS 90 HZ3 LYS 90 13.524 -0.578 -0.286 172 H MET 91 H MET 91 9.800 -5.435 2.654 173 HA MET 91 HA MET 91 7.491 -4.168 3.671 174 HB2 MET 91 HB2 MET 91 7.573 -6.389 2.482 175 HB3 MET 91 HB3 MET 91 8.210 -7.091 3.970 176 HG2 MET 91 HG2 MET 91 6.203 -6.286 5.187 177 HG3 MET 91 HG3 MET 91 5.557 -5.648 3.676 178 HE1 MET 91 HE1 MET 91 6.324 -8.095 1.469 179 HE2 MET 91 HE2 MET 91 5.133 -6.815 1.693 180 HE3 MET 91 HE3 MET 91 4.602 -8.487 1.540 181 H SER 92 H SER 92 10.277 -5.620 5.222 182 HA SER 92 HA SER 92 9.237 -5.944 7.813 183 HB2 SER 92 HB2 SER 92 11.533 -6.029 8.543 184 HB3 SER 92 HB3 SER 92 11.446 -6.808 6.969 185 HG SER 92 HG SER 92 11.821 -4.176 6.658 186 H GLU 93 H GLU 93 10.378 -3.105 6.097 187 HA GLU 93 HA GLU 93 10.730 -1.397 8.333 188 HB2 GLU 93 HB2 GLU 93 10.078 -0.828 5.436 189 HB3 GLU 93 HB3 GLU 93 10.408 0.432 6.623 190 HG2 GLU 93 HG2 GLU 93 12.626 -0.447 7.037 191 HG3 GLU 93 HG3 GLU 93 12.302 -1.855 6.025 192 H GLN 94 H GLN 94 7.941 -2.168 6.306 193 HA GLN 94 HA GLN 94 6.186 -0.227 7.422 194 HB2 GLN 94 HB2 GLN 94 5.639 -2.831 5.974 195 HB3 GLN 94 HB3 GLN 94 4.396 -1.654 6.399 196 HG2 GLN 94 HG2 GLN 94 6.828 -1.048 4.694 197 HG3 GLN 94 HG3 GLN 94 5.219 -1.378 4.058 198 HE21 GLN 94 HE21 GLN 94 3.439 0.138 5.097 199 HE22 GLN 94 HE22 GLN 94 3.884 1.766 5.286 200 H GLU 95 H GLU 95 6.965 -3.560 8.232 201 HA GLU 95 HA GLU 95 4.884 -3.814 10.200 202 HB2 GLU 95 HB2 GLU 95 7.387 -5.465 9.785 203 HB3 GLU 95 HB3 GLU 95 6.018 -5.906 10.806 204 HG2 GLU 95 HG2 GLU 95 5.801 -5.345 7.837 205 HG3 GLU 95 HG3 GLU 95 5.953 -6.960 8.526 206 H ALA 96 H ALA 96 7.503 -1.882 10.215 207 HA ALA 96 HA ALA 96 8.399 -0.614 11.919 208 HB1 ALA 96 HB1 ALA 96 6.183 -1.467 13.128 209 HB2 ALA 96 HB2 ALA 96 7.459 -0.655 14.034 210 HB3 ALA 96 HB3 ALA 96 7.335 -2.414 14.067 211 H ARG 97 H ARG 97 9.505 -3.074 10.687 212 HA ARG 97 HA ARG 97 11.498 -3.794 12.770 213 HB2 ARG 97 HB2 ARG 97 10.398 -5.431 10.480 214 HB3 ARG 97 HB3 ARG 97 11.805 -5.901 11.435 215 HG2 ARG 97 HG2 ARG 97 10.412 -5.803 13.489 216 HG3 ARG 97 HG3 ARG 97 9.008 -5.403 12.498 217 HD2 ARG 97 HD2 ARG 97 10.674 -7.916 12.191 218 HD3 ARG 97 HD3 ARG 97 9.133 -7.833 13.041 219 HE ARG 97 HE ARG 97 8.632 -6.794 10.532 220 HH11 ARG 97 HH21 ARG 97 9.892 -9.728 11.863 221 HH12 ARG 97 HH22 ARG 97 9.312 -10.725 10.572 222 HH21 ARG 97 HH11 ARG 97 7.874 -8.092 8.832 223 HH22 ARG 97 HH12 ARG 97 8.169 -9.799 8.855 224 H GLU 98 H GLU 98 13.654 -3.915 12.143 225 HA GLU 98 HA GLU 98 15.536 -3.126 11.107 226 HB2 GLU 98 HB2 GLU 98 13.840 -4.011 8.786 227 HB3 GLU 98 HB3 GLU 98 15.497 -3.444 8.581 228 HG2 GLU 98 HG2 GLU 98 16.327 -5.202 10.040 229 HG3 GLU 98 HG3 GLU 98 14.681 -5.709 10.421 230 H VAL 99 H VAL 99 13.355 -1.241 11.726 231 HA VAL 99 HA VAL 99 13.100 0.666 9.634 232 HB VAL 99 HB VAL 99 12.942 1.386 12.554 233 HG11 VAL 99 HG11 VAL 99 11.188 2.114 10.185 234 HG12 VAL 99 HG12 VAL 99 12.563 3.076 10.724 235 HG13 VAL 99 HG13 VAL 99 11.173 2.854 11.786 236 HG21 VAL 99 HG21 VAL 99 11.761 -0.692 12.540 237 HG22 VAL 99 HG22 VAL 99 11.070 -0.382 10.947 238 HG23 VAL 99 HG23 VAL 99 10.507 0.533 12.346 239 H ASN 100 H ASN 100 14.074 2.736 9.473 240 HA ASN 100 HA ASN 100 16.893 2.714 10.039 241 HB2 ASN 100 HB2 ASN 100 15.115 4.918 8.964 242 HB3 ASN 100 HB3 ASN 100 16.876 4.924 8.955 243 HD21 ASN 100 HD21 ASN 100 14.355 4.411 6.913 244 HD22 ASN 100 HD22 ASN 100 15.043 3.254 5.877 245 H SER 101 H SER 101 17.869 3.472 11.768 246 HA SER 101 HA SER 101 16.645 4.327 14.103 247 HB2 SER 101 HB2 SER 101 18.995 3.514 13.951 248 HB3 SER 101 HB3 SER 101 19.447 5.043 13.202 249 HG SER 101 HG SER 101 17.992 5.199 15.557 250 H GLN 102 H GLN 102 17.311 6.095 11.229 251 HA GLN 102 HA GLN 102 17.525 8.713 12.245 252 HB2 GLN 102 HB2 GLN 102 16.448 7.647 9.627 253 HB3 GLN 102 HB3 GLN 102 16.630 9.368 9.964 254 HG2 GLN 102 HG2 GLN 102 19.011 9.131 10.273 255 HG3 GLN 102 HG3 GLN 102 18.895 7.373 10.203 256 HE21 GLN 102 HE21 GLN 102 20.408 9.267 8.385 257 HE22 GLN 102 HE22 GLN 102 19.832 8.926 6.825 258 H GLU 103 H GLU 103 14.712 6.717 11.438 259 HA GLU 103 HA GLU 103 12.747 8.723 11.774 260 HB2 GLU 103 HB2 GLU 103 12.355 6.495 10.696 261 HB3 GLU 103 HB3 GLU 103 12.455 5.751 12.290 262 HG2 GLU 103 HG2 GLU 103 10.115 6.119 11.749 263 HG3 GLU 103 HG3 GLU 103 10.571 7.224 13.042 264 H GLU 104 H GLU 104 14.249 6.435 14.019 265 HA GLU 104 HA GLU 104 12.625 7.020 16.260 266 HB2 GLU 104 HB2 GLU 104 15.462 5.983 16.072 267 HB3 GLU 104 HB3 GLU 104 14.526 6.041 17.565 268 HG2 GLU 104 HG2 GLU 104 13.613 4.604 15.059 269 HG3 GLU 104 HG3 GLU 104 14.443 3.812 16.397 270 H GLU 105 H GLU 105 15.658 8.402 15.075 271 HA GLU 105 HA GLU 105 16.159 10.094 17.286 272 HB2 GLU 105 HB2 GLU 105 16.978 10.291 14.382 273 HB3 GLU 105 HB3 GLU 105 17.558 11.389 15.636 274 HG2 GLU 105 HG2 GLU 105 17.819 8.378 15.813 275 HG3 GLU 105 HG3 GLU 105 19.082 9.423 15.166 276 H GLU 106 H GLU 106 14.313 10.556 14.296 277 HA GLU 106 HA GLU 106 13.827 13.314 14.585 278 HB2 GLU 106 HB2 GLU 106 13.382 12.071 12.500 279 HB3 GLU 106 HB3 GLU 106 12.074 11.202 13.297 280 HG2 GLU 106 HG2 GLU 106 11.175 13.066 11.980 281 HG3 GLU 106 HG3 GLU 106 10.899 13.361 13.691 282 H GLU 107 H GLU 107 12.002 10.485 15.722 283 HA GLU 107 HA GLU 107 9.825 11.903 16.813 284 HB2 GLU 107 HB2 GLU 107 9.835 9.455 16.434 285 HB3 GLU 107 HB3 GLU 107 10.997 9.273 17.749 286 HG2 GLU 107 HG2 GLU 107 9.395 10.231 19.337 287 HG3 GLU 107 HG3 GLU 107 8.240 10.505 18.034 288 H GLU 108 H GLU 108 12.919 10.897 18.211 289 HA GLU 108 HA GLU 108 12.396 11.746 20.854 290 HB2 GLU 108 HB2 GLU 108 14.269 10.250 20.246 291 HB3 GLU 108 HB3 GLU 108 15.054 11.592 19.412 292 HG2 GLU 108 HG2 GLU 108 15.185 12.858 21.510 293 HG3 GLU 108 HG3 GLU 108 14.326 11.572 22.356 294 H LEU 109 H LEU 109 13.832 13.406 18.067 295 HA LEU 109 HA LEU 109 14.562 15.775 19.405 296 HB2 LEU 109 HB2 LEU 109 13.847 15.205 16.532 297 HB3 LEU 109 HB3 LEU 109 14.415 16.782 17.071 298 HG LEU 109 HG LEU 109 15.940 14.209 17.573 299 HD11 LEU 109 HD11 LEU 109 15.632 14.716 15.120 300 HD12 LEU 109 HD12 LEU 109 17.312 14.722 15.655 301 HD13 LEU 109 HD13 LEU 109 16.466 16.247 15.392 302 HD21 LEU 109 HD21 LEU 109 16.490 17.145 17.995 303 HD22 LEU 109 HD22 LEU 109 17.836 16.066 17.643 304 HD23 LEU 109 HD23 LEU 109 16.833 15.782 19.057 305 H LEU 110 H LEU 110 11.554 14.807 17.817 306 HA LEU 110 HA LEU 110 10.252 17.305 18.030 307 HB2 LEU 110 HB2 LEU 110 9.215 14.473 17.869 308 HB3 LEU 110 HB3 LEU 110 8.157 15.881 17.841 309 HG LEU 110 HG LEU 110 10.463 15.485 15.910 310 HD11 LEU 110 HD11 LEU 110 8.926 13.690 15.497 311 HD12 LEU 110 HD12 LEU 110 8.613 14.916 14.270 312 HD13 LEU 110 HD13 LEU 110 7.534 14.760 15.657 313 HD21 LEU 110 HD21 LEU 110 9.932 17.768 15.821 314 HD22 LEU 110 HD22 LEU 110 8.232 17.500 16.195 315 HD23 LEU 110 HD23 LEU 110 8.851 17.126 14.589 316 H ARG 111 H ARG 111 10.394 14.512 20.212 317 HA ARG 111 HA ARG 111 8.560 15.529 22.117 318 HB2 ARG 111 HB2 ARG 111 10.804 13.523 22.343 319 HB3 ARG 111 HB3 ARG 111 9.698 13.894 23.667 320 HG2 ARG 111 HG2 ARG 111 7.779 13.299 22.208 321 HG3 ARG 111 HG3 ARG 111 8.911 12.865 20.927 322 HD2 ARG 111 HD2 ARG 111 8.945 11.613 23.680 323 HD3 ARG 111 HD3 ARG 111 8.098 10.911 22.304 324 HE ARG 111 HE ARG 111 10.745 11.400 21.517 325 HH11 ARG 111 HH21 ARG 111 8.933 9.473 23.747 326 HH12 ARG 111 HH22 ARG 111 10.087 8.183 23.784 327 HH21 ARG 111 HH11 ARG 111 12.265 9.709 21.560 328 HH22 ARG 111 HH12 ARG 111 11.972 8.316 22.546 329 H LYS 112 H LYS 112 12.067 15.791 21.783 330 HA LYS 112 HA LYS 112 12.585 17.081 24.238 331 HB2 LYS 112 HB2 LYS 112 14.353 16.092 22.833 332 HB3 LYS 112 HB3 LYS 112 14.063 17.336 21.616 333 HG2 LYS 112 HG2 LYS 112 14.784 19.080 23.083 334 HG3 LYS 112 HG3 LYS 112 14.760 18.007 24.481 335 HD2 LYS 112 HD2 LYS 112 17.060 18.265 23.840 336 HD3 LYS 112 HD3 LYS 112 16.571 16.647 23.343 337 HE2 LYS 112 HE2 LYS 112 16.286 17.371 21.048 338 HE3 LYS 112 HE3 LYS 112 16.552 19.054 21.502 339 HZ1 LYS 112 HZ1 LYS 112 18.738 17.797 22.475 340 HZ2 LYS 112 HZ2 LYS 112 18.669 18.636 20.999 341 HZ3 LYS 112 HZ3 LYS 112 18.454 16.952 21.032 342 H ALA 113 H ALA 113 11.797 18.333 21.022 343 HA ALA 113 HA ALA 113 12.112 21.070 21.590 344 HB1 ALA 113 HB1 ALA 113 10.592 21.402 19.640 345 HB2 ALA 113 HB2 ALA 113 10.273 19.668 19.638 346 HB3 ALA 113 HB3 ALA 113 11.899 20.266 19.307 347 H ILE 114 H ILE 114 9.327 18.901 21.929 348 HA ILE 114 HA ILE 114 7.433 20.866 22.666 349 HB ILE 114 HB ILE 114 7.597 17.908 23.285 350 HG12 ILE 114 HG12 ILE 114 5.802 19.424 21.370 351 HG13 ILE 114 HG13 ILE 114 7.344 18.720 20.884 352 HG21 ILE 114 HG21 ILE 114 5.081 18.245 23.714 353 HG22 ILE 114 HG22 ILE 114 5.455 19.962 23.870 354 HG23 ILE 114 HG23 ILE 114 6.179 18.798 24.978 355 HD11 ILE 114 HD11 ILE 114 6.601 16.514 21.298 356 HD12 ILE 114 HD12 ILE 114 5.216 17.291 20.533 357 HD13 ILE 114 HD13 ILE 114 5.242 17.060 22.280 358 H ALA 115 H ALA 115 9.573 18.796 24.608 359 HA ALA 115 HA ALA 115 8.667 19.626 27.139 360 HB1 ALA 115 HB1 ALA 115 10.053 17.674 26.965 361 HB2 ALA 115 HB2 ALA 115 10.950 18.866 27.906 362 HB3 ALA 115 HB3 ALA 115 11.354 18.594 26.211 363 H GLU 116 H GLU 116 11.182 20.913 25.005 364 HA GLU 116 HA GLU 116 12.178 22.855 26.800 365 HB2 GLU 116 HB2 GLU 116 13.363 22.113 24.749 366 HB3 GLU 116 HB3 GLU 116 12.142 22.926 23.772 367 HG2 GLU 116 HG2 GLU 116 14.098 24.372 24.009 368 HG3 GLU 116 HG3 GLU 116 12.740 25.083 24.873 369 H SER 117 H SER 117 9.623 22.967 24.336 370 HA SER 117 HA SER 117 9.095 25.731 24.494 371 HB2 SER 117 HB2 SER 117 6.933 25.176 23.471 372 HB3 SER 117 HB3 SER 117 8.239 24.288 22.690 373 HG SER 117 HG SER 117 6.891 23.165 24.884 374 H LEU 118 H LEU 118 7.860 22.990 26.351 375 HA LEU 118 HA LEU 118 5.877 24.425 27.786 376 HB2 LEU 118 HB2 LEU 118 7.403 21.895 28.424 377 HB3 LEU 118 HB3 LEU 118 6.067 22.496 29.402 378 HG LEU 118 HG LEU 118 5.852 21.919 26.431 379 HD11 LEU 118 HD11 LEU 118 6.367 19.887 27.832 380 HD12 LEU 118 HD12 LEU 118 4.811 19.818 27.007 381 HD13 LEU 118 HD13 LEU 118 4.878 20.197 28.728 382 HD21 LEU 118 HD21 LEU 118 4.056 23.340 26.925 383 HD22 LEU 118 HD22 LEU 118 3.915 22.765 28.585 384 HD23 LEU 118 HD23 LEU 118 3.334 21.770 27.253 385 H ASN 119 H ASN 119 9.300 23.820 28.338 386 HA ASN 119 HA ASN 119 9.295 25.048 30.957 387 HB2 ASN 119 HB2 ASN 119 11.555 24.216 29.123 388 HB3 ASN 119 HB3 ASN 119 11.753 24.768 30.785 389 HD21 ASN 119 HD21 ASN 119 10.244 23.454 32.407 390 HD22 ASN 119 HD22 ASN 119 10.197 21.777 32.151 391 H SER 120 H SER 120 9.403 26.145 27.735 392 HA SER 120 HA SER 120 10.920 28.565 28.269 393 HB2 SER 120 HB2 SER 120 9.359 27.638 25.851 394 HB3 SER 120 HB3 SER 120 10.262 29.150 25.926 395 HG SER 120 HG SER 120 11.871 27.280 26.809 396 H CYS 121 H CYS 121 10.073 30.678 28.212 397 HA CYS 121 HA CYS 121 7.486 30.937 29.445 398 HB2 CYS 121 HB2 CYS 121 7.999 33.280 29.607 399 HB3 CYS 121 HB3 CYS 121 9.474 32.387 29.973 400 HG CYS 121 HG CYS 121 9.704 32.860 27.119 401 H ARG 122 H ARG 122 5.799 32.384 28.623 402 HA ARG 122 HA ARG 122 5.117 31.712 25.949 403 HB2 ARG 122 HB2 ARG 122 3.854 33.463 28.041 404 HB3 ARG 122 HB3 ARG 122 3.202 33.412 26.405 405 HG2 ARG 122 HG2 ARG 122 2.048 31.793 27.859 406 HG3 ARG 122 HG3 ARG 122 2.939 30.965 26.584 407 HD2 ARG 122 HD2 ARG 122 3.188 29.974 28.906 408 HD3 ARG 122 HD3 ARG 122 4.696 30.349 28.085 409 HE ARG 122 HE ARG 122 3.850 32.572 29.646 410 HH11 ARG 122 HH21 ARG 122 5.162 29.379 29.861 411 HH12 ARG 122 HH22 ARG 122 5.988 29.671 31.355 412 HH21 ARG 122 HH11 ARG 122 4.930 32.965 31.600 413 HH22 ARG 122 HH12 ARG 122 5.856 31.702 32.342 414 HA PRO 123 HA PRO 123 6.930 35.131 23.796 415 HB2 PRO 123 HB2 PRO 123 5.260 35.352 21.638 416 HB3 PRO 123 HB3 PRO 123 6.393 34.000 21.840 417 HG2 PRO 123 HG2 PRO 123 3.465 34.111 22.448 418 HG3 PRO 123 HG3 PRO 123 4.396 32.840 21.632 419 HD2 PRO 123 HD2 PRO 123 3.691 32.650 24.252 420 HD3 PRO 123 HD3 PRO 123 5.208 31.962 23.628 421 H SER 124 H SER 124 6.774 37.360 23.661 422 HA SER 124 HA SER 124 4.673 38.634 25.144 423 HB2 SER 124 HB2 SER 124 6.958 39.495 25.235 424 HB3 SER 124 HB3 SER 124 6.936 39.795 23.500 425 HG SER 124 HG SER 124 5.446 41.378 23.792 426 H ASP 125 H ASP 125 2.948 39.810 24.404 427 HA ASP 125 HA ASP 125 2.151 39.384 21.651 428 HB2 ASP 125 HB2 ASP 125 0.857 40.789 23.994 429 HB3 ASP 125 HB3 ASP 125 0.125 40.715 22.392 430 H ALA 126 H ALA 126 2.652 40.698 20.023 431 HA ALA 126 HA ALA 126 4.063 43.124 20.346 432 HB1 ALA 126 HB1 ALA 126 3.886 43.360 17.968 433 HB2 ALA 126 HB2 ALA 126 2.485 42.288 17.907 434 HB3 ALA 126 HB3 ALA 126 4.076 41.639 18.305 435 H SER 127 H SER 127 0.641 42.403 19.851 436 HA SER 127 HA SER 127 -0.096 45.188 19.577 437 HB2 SER 127 HB2 SER 127 -2.369 44.368 19.470 438 HB3 SER 127 HB3 SER 127 -1.348 43.333 18.475 439 HG SER 127 HG SER 127 -1.918 41.745 19.710 440 H ALA 128 H ALA 128 0.538 43.068 22.164 441 HA ALA 128 HA ALA 128 0.562 43.473 24.433 442 HB1 ALA 128 HB1 ALA 128 0.308 45.629 25.254 443 HB2 ALA 128 HB2 ALA 128 -1.016 46.015 24.153 444 HB3 ALA 128 HB3 ALA 128 0.645 45.975 23.559 445 H THR 129 H THR 129 -1.860 42.612 22.592 446 HA THR 129 HA THR 129 -4.097 42.957 24.423 447 HB THR 129 HB THR 129 -3.855 41.369 21.857 448 HG1 THR 129 HG1 THR 129 -5.149 43.178 21.121 449 HG21 THR 129 HG21 THR 129 -5.647 40.424 23.099 450 HG22 THR 129 HG22 THR 129 -6.407 41.573 21.999 451 HG23 THR 129 HG23 THR 129 -6.168 42.001 23.693 452 H ARG 130 H ARG 130 -4.716 41.557 25.943 453 HA ARG 130 HA ARG 130 -3.089 39.308 26.605 454 HB2 ARG 130 HB2 ARG 130 -4.784 38.912 28.369 455 HB3 ARG 130 HB3 ARG 130 -4.241 40.590 28.337 456 HG2 ARG 130 HG2 ARG 130 -6.232 41.216 27.021 457 HG3 ARG 130 HG3 ARG 130 -6.778 39.540 27.043 458 HD2 ARG 130 HD2 ARG 130 -6.273 41.164 29.546 459 HD3 ARG 130 HD3 ARG 130 -7.856 41.009 28.791 460 HE ARG 130 HE ARG 130 -6.884 38.419 29.174 461 HH11 ARG 130 HH21 ARG 130 -7.733 41.209 31.038 462 HH12 ARG 130 HH22 ARG 130 -8.226 40.301 32.428 463 HH21 ARG 130 HH11 ARG 130 -7.532 37.221 30.994 464 HH22 ARG 130 HH12 ARG 130 -8.112 38.044 32.403 465 H SER 131 H SER 131 -3.600 37.106 26.545 466 HA SER 131 HA SER 131 -5.152 36.294 24.260 467 HB2 SER 131 HB2 SER 131 -3.837 34.597 26.393 468 HB3 SER 131 HB3 SER 131 -4.416 34.040 24.826 469 HG SER 131 HG SER 131 -2.911 35.516 23.879
Contact the webmaster for help, if required. Thursday, May 23, 2024 9:59:28 PM GMT (wattos1)