NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
18478 | 2dn7 | 10263 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 14.329 24.802 3.690 2 HA2 GLY 1 1HA GLY 1 16.185 22.810 3.069 3 HA3 GLY 1 2HA GLY 1 16.471 24.143 4.179 4 H SER 2 H SER 2 15.695 23.856 6.418 5 HA SER 2 HA SER 2 15.856 22.710 8.382 6 HB2 SER 2 1HB SER 2 13.614 21.966 7.565 7 HB3 SER 2 2HB SER 2 14.386 20.550 6.851 8 HG SER 2 HG SER 2 13.442 20.571 9.174 9 H SER 3 H SER 3 18.159 22.535 6.890 10 HA SER 3 HA SER 3 20.032 21.284 6.466 11 HB2 SER 3 1HB SER 3 20.740 19.911 8.422 12 HB3 SER 3 2HB SER 3 20.194 21.525 8.876 13 HG SER 3 HG SER 3 19.351 19.747 10.174 14 H GLY 4 H GLY 4 17.953 20.292 4.985 15 HA2 GLY 4 1HA GLY 4 17.942 18.377 3.586 16 HA3 GLY 4 2HA GLY 4 18.658 17.449 4.895 17 H SER 5 H SER 5 17.367 16.211 6.111 18 HA SER 5 HA SER 5 15.498 15.160 6.870 19 HB2 SER 5 1HB SER 5 14.254 17.896 6.502 20 HB3 SER 5 2HB SER 5 13.539 16.566 7.412 21 HG SER 5 HG SER 5 15.297 18.372 8.248 22 H SER 6 H SER 6 16.091 15.297 3.980 23 HA SER 6 HA SER 6 13.731 15.550 2.471 24 HB2 SER 6 1HB SER 6 16.186 15.387 1.669 25 HB3 SER 6 2HB SER 6 15.942 13.642 1.743 26 HG SER 6 HG SER 6 14.441 15.504 0.214 27 H GLY 7 H GLY 7 15.405 12.515 3.334 28 HA2 GLY 7 1HA GLY 7 14.138 10.775 4.513 29 HA3 GLY 7 2HA GLY 7 12.743 11.252 3.556 30 HA PRO 8 HA PRO 8 15.086 7.655 1.585 31 HB2 PRO 8 1HB PRO 8 13.135 5.790 1.879 32 HB3 PRO 8 2HB PRO 8 14.390 6.067 3.093 33 HG2 PRO 8 1HG PRO 8 11.565 7.056 3.029 34 HG3 PRO 8 2HG PRO 8 12.490 6.398 4.392 35 HD2 PRO 8 1HD PRO 8 12.113 9.055 4.034 36 HD3 PRO 8 2HD PRO 8 13.583 8.390 4.774 37 H GLY 9 H GLY 9 14.238 6.308 -0.287 38 HA2 GLY 9 1HA GLY 9 12.718 8.059 -2.025 39 HA3 GLY 9 2HA GLY 9 13.524 6.568 -2.489 40 H ARG 10 H ARG 10 11.653 5.997 -3.703 41 HA ARG 10 HA ARG 10 9.298 5.289 -2.095 42 HB2 ARG 10 1HB ARG 10 8.082 5.173 -4.217 43 HB3 ARG 10 2HB ARG 10 8.853 6.741 -4.014 44 HG2 ARG 10 1HG ARG 10 9.423 6.350 -6.168 45 HG3 ARG 10 2HG ARG 10 10.781 5.538 -5.386 46 HD2 ARG 10 1HD ARG 10 9.082 3.496 -5.437 47 HD3 ARG 10 2HD ARG 10 8.439 4.397 -6.809 48 HE ARG 10 HE ARG 10 10.840 2.883 -6.748 49 HH11 ARG 10 2HH1 ARG 10 9.419 5.766 -8.086 50 HH12 ARG 10 1HH1 ARG 10 10.443 5.780 -9.483 51 HH21 ARG 10 2HH2 ARG 10 12.194 2.890 -8.584 52 HH22 ARG 10 1HH2 ARG 10 12.020 4.142 -9.766 53 HA PRO 11 HA PRO 11 10.614 1.058 -2.380 54 HB2 PRO 11 1HB PRO 11 8.387 -0.028 -1.271 55 HB3 PRO 11 2HB PRO 11 9.636 0.784 -0.319 56 HG2 PRO 11 1HG PRO 11 7.004 1.837 -1.283 57 HG3 PRO 11 2HG PRO 11 7.776 2.034 0.301 58 HD2 PRO 11 1HD PRO 11 7.832 3.964 -1.598 59 HD3 PRO 11 2HD PRO 11 9.158 3.722 -0.443 60 H THR 12 H THR 12 10.065 -0.837 -3.532 61 HA THR 12 HA THR 12 8.365 -0.336 -5.841 62 HB THR 12 HB THR 12 10.280 -2.585 -5.206 63 HG1 THR 12 1HG THR 12 10.425 -0.700 -7.321 64 HG21 THR 12 1HG2 THR 12 8.070 -2.623 -6.976 65 HG22 THR 12 2HG2 THR 12 9.352 -3.822 -6.808 66 HG23 THR 12 3HG2 THR 12 9.528 -2.498 -7.959 67 H MET 13 H MET 13 6.256 -0.666 -5.414 68 HA MET 13 HA MET 13 5.450 -2.988 -3.835 69 HB2 MET 13 1HB MET 13 4.491 -0.666 -3.457 70 HB3 MET 13 2HB MET 13 3.654 -0.859 -4.992 71 HG2 MET 13 1HG MET 13 2.273 -2.529 -4.178 72 HG3 MET 13 2HG MET 13 3.356 -2.909 -2.841 73 HE1 MET 13 1HE MET 13 2.376 0.644 -4.003 74 HE2 MET 13 2HE MET 13 0.821 -0.154 -4.240 75 HE3 MET 13 3HE MET 13 1.008 1.055 -2.969 76 H MET 14 H MET 14 4.372 -4.715 -4.645 77 HA MET 14 HA MET 14 3.642 -4.664 -7.494 78 HB2 MET 14 1HB MET 14 5.021 -6.959 -6.090 79 HB3 MET 14 2HB MET 14 4.521 -6.922 -7.776 80 HG2 MET 14 1HG MET 14 6.074 -4.973 -8.083 81 HG3 MET 14 2HG MET 14 6.679 -5.300 -6.461 82 HE1 MET 14 1HE MET 14 8.319 -6.721 -5.849 83 HE2 MET 14 2HE MET 14 9.283 -7.784 -6.873 84 HE3 MET 14 3HE MET 14 9.346 -6.036 -7.109 85 H ILE 15 H ILE 15 1.488 -4.797 -7.466 86 HA ILE 15 HA ILE 15 0.174 -6.536 -5.510 87 HB ILE 15 HB ILE 15 -1.009 -4.501 -7.404 88 HG12 ILE 15 1HG1 ILE 15 -0.978 -4.293 -4.411 89 HG13 ILE 15 2HG1 ILE 15 0.437 -3.805 -5.338 90 HG21 ILE 15 1HG2 ILE 15 -2.276 -6.234 -5.293 91 HG22 ILE 15 2HG2 ILE 15 -3.060 -4.822 -5.999 92 HG23 ILE 15 3HG2 ILE 15 -2.636 -6.197 -7.018 93 HD11 ILE 15 1HD1 ILE 15 -0.520 -1.905 -5.994 94 HD12 ILE 15 2HD1 ILE 15 -2.057 -2.693 -6.353 95 HD13 ILE 15 3HD1 ILE 15 -1.679 -2.207 -4.700 96 H SER 16 H SER 16 -0.684 -8.436 -6.046 97 HA SER 16 HA SER 16 -1.269 -8.992 -8.870 98 HB2 SER 16 1HB SER 16 0.586 -10.467 -7.061 99 HB3 SER 16 2HB SER 16 -0.396 -11.413 -8.179 100 HG SER 16 HG SER 16 1.038 -9.174 -9.099 101 H THR 17 H THR 17 -3.250 -9.767 -9.139 102 HA THR 17 HA THR 17 -4.826 -10.519 -6.829 103 HB THR 17 HB THR 17 -6.710 -10.666 -8.443 104 HG1 THR 17 1HG THR 17 -6.372 -10.394 -10.568 105 HG21 THR 17 1HG2 THR 17 -5.053 -8.143 -8.525 106 HG22 THR 17 2HG2 THR 17 -6.312 -8.551 -7.360 107 HG23 THR 17 3HG2 THR 17 -6.735 -8.248 -9.045 108 H THR 18 H THR 18 -5.007 -12.535 -6.131 109 HA THR 18 HA THR 18 -4.516 -14.735 -8.029 110 HB THR 18 HB THR 18 -3.869 -16.114 -6.115 111 HG1 THR 18 1HG THR 18 -4.419 -15.488 -4.178 112 HG21 THR 18 1HG2 THR 18 -2.237 -13.699 -5.620 113 HG22 THR 18 2HG2 THR 18 -2.342 -14.240 -7.296 114 HG23 THR 18 3HG2 THR 18 -1.740 -15.335 -6.052 115 H ALA 19 H ALA 19 -6.086 -14.554 -4.841 116 HA ALA 19 HA ALA 19 -8.153 -16.366 -5.687 117 HB1 ALA 19 1HB ALA 19 -8.762 -15.113 -3.189 118 HB2 ALA 19 2HB ALA 19 -8.288 -16.781 -3.513 119 HB3 ALA 19 3HB ALA 19 -7.054 -15.553 -3.228 120 H MET 20 H MET 20 -10.469 -15.871 -5.371 121 HA MET 20 HA MET 20 -11.224 -13.586 -6.851 122 HB2 MET 20 1HB MET 20 -12.431 -15.900 -6.433 123 HB3 MET 20 2HB MET 20 -13.199 -15.011 -5.125 124 HG2 MET 20 1HG MET 20 -14.167 -13.460 -6.621 125 HG3 MET 20 2HG MET 20 -13.178 -14.033 -7.962 126 HE1 MET 20 1HE MET 20 -15.247 -15.233 -5.172 127 HE2 MET 20 2HE MET 20 -16.787 -15.597 -5.950 128 HE3 MET 20 3HE MET 20 -15.606 -16.881 -5.686 129 H ASN 21 H ASN 21 -11.492 -11.558 -6.208 130 HA ASN 21 HA ASN 21 -11.893 -9.727 -4.917 131 HB2 ASN 21 1HB ASN 21 -13.012 -11.493 -2.755 132 HB3 ASN 21 2HB ASN 21 -13.476 -9.850 -3.187 133 HD21 ASN 21 1HD2 ASN 21 -14.344 -9.645 -5.469 134 HD22 ASN 21 2HD2 ASN 21 -15.454 -10.868 -5.978 135 H THR 22 H THR 22 -9.402 -11.139 -4.756 136 HA THR 22 HA THR 22 -8.499 -10.129 -2.160 137 HB THR 22 HB THR 22 -7.254 -12.054 -1.588 138 HG1 THR 22 1HG THR 22 -7.718 -12.779 -4.268 139 HG21 THR 22 1HG2 THR 22 -9.684 -12.230 -1.146 140 HG22 THR 22 2HG2 THR 22 -8.923 -13.802 -1.393 141 HG23 THR 22 3HG2 THR 22 -9.878 -13.072 -2.683 142 H ALA 23 H ALA 23 -6.616 -9.047 -2.263 143 HA ALA 23 HA ALA 23 -5.048 -9.262 -4.751 144 HB1 ALA 23 1HB ALA 23 -4.472 -6.833 -4.359 145 HB2 ALA 23 2HB ALA 23 -6.134 -7.165 -4.851 146 HB3 ALA 23 3HB ALA 23 -5.768 -6.811 -3.162 147 H LEU 24 H LEU 24 -3.081 -10.038 -4.409 148 HA LEU 24 HA LEU 24 -1.961 -10.149 -1.757 149 HB2 LEU 24 1HB LEU 24 -1.737 -12.019 -3.325 150 HB3 LEU 24 2HB LEU 24 -0.804 -10.991 -4.411 151 HG LEU 24 HG LEU 24 0.994 -10.861 -2.782 152 HD11 LEU 24 1HD1 LEU 24 0.358 -11.027 -0.641 153 HD12 LEU 24 2HD1 LEU 24 0.550 -12.763 -0.888 154 HD13 LEU 24 3HD1 LEU 24 -1.045 -12.024 -1.030 155 HD21 LEU 24 1HD2 LEU 24 0.874 -12.744 -4.413 156 HD22 LEU 24 2HD2 LEU 24 0.150 -13.731 -3.143 157 HD23 LEU 24 3HD2 LEU 24 1.790 -13.110 -2.951 158 H LEU 25 H LEU 25 -0.588 -8.748 -0.877 159 HA LEU 25 HA LEU 25 0.570 -6.668 -2.597 160 HB2 LEU 25 1HB LEU 25 0.237 -6.705 0.399 161 HB3 LEU 25 2HB LEU 25 0.826 -5.354 -0.566 162 HG LEU 25 HG LEU 25 -1.952 -6.494 -0.821 163 HD11 LEU 25 1HD1 LEU 25 -2.095 -3.981 0.362 164 HD12 LEU 25 2HD1 LEU 25 -0.824 -4.827 1.245 165 HD13 LEU 25 3HD1 LEU 25 -2.434 -5.536 1.122 166 HD21 LEU 25 1HD2 LEU 25 -0.544 -4.868 -2.516 167 HD22 LEU 25 2HD2 LEU 25 -1.429 -3.708 -1.525 168 HD23 LEU 25 3HD2 LEU 25 -2.302 -4.960 -2.410 169 H GLN 26 H GLN 26 2.681 -6.653 -2.989 170 HA GLN 26 HA GLN 26 4.535 -7.794 -1.048 171 HB2 GLN 26 1HB GLN 26 4.667 -8.594 -3.954 172 HB3 GLN 26 2HB GLN 26 5.630 -9.221 -2.623 173 HG2 GLN 26 1HG GLN 26 3.429 -10.049 -1.643 174 HG3 GLN 26 2HG GLN 26 2.739 -9.717 -3.231 175 HE21 GLN 26 1HE2 GLN 26 3.778 -12.130 -1.422 176 HE22 GLN 26 2HE2 GLN 26 4.435 -13.188 -2.619 177 H TRP 27 H TRP 27 6.006 -6.284 -0.689 178 HA TRP 27 HA TRP 27 6.994 -4.708 -2.969 179 HB2 TRP 27 1HB TRP 27 7.171 -2.745 -1.469 180 HB3 TRP 27 2HB TRP 27 5.507 -3.281 -1.680 181 HD1 TRP 27 HD TRP 27 8.285 -3.102 0.947 182 HE1 TRP 27 1HE TRP 27 7.242 -3.471 3.271 183 HE3 TRP 27 3HE TRP 27 3.545 -4.379 -0.483 184 HZ2 TRP 27 2HZ TRP 27 4.742 -4.206 4.355 185 HZ3 TRP 27 3HZ TRP 27 1.888 -4.900 1.260 186 HH2 TRP 27 HH TRP 27 2.476 -4.816 3.628 187 H HIS 28 H HIS 28 9.062 -3.435 -2.155 188 HA HIS 28 HA HIS 28 10.699 -5.149 -0.436 189 HB2 HIS 28 1HB HIS 28 11.171 -4.558 -3.328 190 HB3 HIS 28 2HB HIS 28 12.561 -4.695 -2.256 191 HD1 HIS 28 1HD HIS 28 12.894 -7.043 -1.073 192 HD2 HIS 28 2HD HIS 28 10.017 -6.942 -4.070 193 HE1 HIS 28 1HE HIS 28 12.444 -9.448 -1.655 194 HE2 HIS 28 2HE HIS 28 10.764 -9.359 -3.529 195 HA PRO 29 HA PRO 29 12.369 -1.411 1.135 196 HB2 PRO 29 1HB PRO 29 14.958 -2.083 1.603 197 HB3 PRO 29 2HB PRO 29 13.616 -2.689 2.581 198 HG2 PRO 29 1HG PRO 29 15.083 -4.028 0.340 199 HG3 PRO 29 2HG PRO 29 14.560 -4.701 1.895 200 HD2 PRO 29 1HD PRO 29 13.195 -5.118 -0.407 201 HD3 PRO 29 2HD PRO 29 12.393 -5.013 1.173 202 HA PRO 30 HA PRO 30 14.084 0.765 -2.325 203 HB2 PRO 30 1HB PRO 30 14.551 3.121 -1.060 204 HB3 PRO 30 2HB PRO 30 12.934 2.593 -1.539 205 HG2 PRO 30 1HG PRO 30 14.261 2.439 1.140 206 HG3 PRO 30 2HG PRO 30 12.598 2.909 0.740 207 HD2 PRO 30 1HD PRO 30 13.232 0.447 1.671 208 HD3 PRO 30 2HD PRO 30 11.896 0.724 0.535 209 H LYS 31 H LYS 31 16.062 2.013 -2.871 210 HA LYS 31 HA LYS 31 18.363 0.991 -1.347 211 HB2 LYS 31 1HB LYS 31 18.252 0.189 -3.654 212 HB3 LYS 31 2HB LYS 31 18.179 1.845 -4.242 213 HG2 LYS 31 1HG LYS 31 20.389 1.387 -4.565 214 HG3 LYS 31 2HG LYS 31 20.445 2.072 -2.939 215 HD2 LYS 31 1HD LYS 31 21.741 0.141 -2.766 216 HD3 LYS 31 2HD LYS 31 20.170 -0.360 -2.137 217 HE2 LYS 31 1HE LYS 31 19.635 -1.524 -4.109 218 HE3 LYS 31 2HE LYS 31 20.923 -0.738 -5.020 219 HZ1 LYS 31 1HZ LYS 31 21.228 -2.772 -2.882 220 HZ2 LYS 31 2HZ LYS 31 22.522 -1.909 -3.547 221 HZ3 LYS 31 3HZ LYS 31 21.607 -2.945 -4.522 222 H GLU 32 H GLU 32 16.786 3.841 -2.515 223 HA GLU 32 HA GLU 32 19.062 5.558 -1.967 224 HB2 GLU 32 1HB GLU 32 16.238 6.175 -2.847 225 HB3 GLU 32 2HB GLU 32 17.487 7.390 -2.613 226 HG2 GLU 32 1HG GLU 32 18.856 6.088 -4.309 227 HG3 GLU 32 2HG GLU 32 17.368 5.217 -4.676 228 H LEU 33 H LEU 33 17.716 3.967 0.171 229 HA LEU 33 HA LEU 33 16.537 6.034 1.855 230 HB2 LEU 33 1HB LEU 33 15.424 3.906 1.839 231 HB3 LEU 33 2HB LEU 33 16.923 3.072 2.243 232 HG LEU 33 HG LEU 33 15.846 5.089 4.156 233 HD11 LEU 33 1HD1 LEU 33 14.346 2.835 3.254 234 HD12 LEU 33 2HD1 LEU 33 13.941 4.014 4.501 235 HD13 LEU 33 3HD1 LEU 33 14.855 2.565 4.921 236 HD21 LEU 33 1HD2 LEU 33 17.844 4.265 4.924 237 HD22 LEU 33 2HD2 LEU 33 17.590 2.673 4.208 238 HD23 LEU 33 3HD2 LEU 33 16.716 3.132 5.670 239 HA PRO 34 HA PRO 34 20.670 6.717 3.495 240 HB2 PRO 34 1HB PRO 34 19.987 8.934 4.905 241 HB3 PRO 34 2HB PRO 34 20.298 8.960 3.166 242 HG2 PRO 34 1HG PRO 34 17.684 8.874 4.621 243 HG3 PRO 34 2HG PRO 34 18.145 9.837 3.206 244 HD2 PRO 34 1HD PRO 34 16.690 7.563 3.008 245 HD3 PRO 34 2HD PRO 34 17.830 8.079 1.749 246 H GLY 35 H GLY 35 20.778 4.918 4.870 247 HA2 GLY 35 1HA GLY 35 21.211 4.863 7.376 248 HA3 GLY 35 2HA GLY 35 19.501 5.247 7.510 249 H GLU 36 H GLU 36 18.429 3.518 8.184 250 HA GLU 36 HA GLU 36 18.822 0.990 6.763 251 HB2 GLU 36 1HB GLU 36 20.061 0.331 8.563 252 HB3 GLU 36 2HB GLU 36 19.292 1.480 9.650 253 HG2 GLU 36 1HG GLU 36 18.706 -0.713 10.356 254 HG3 GLU 36 2HG GLU 36 17.272 0.034 9.653 255 H LEU 37 H LEU 37 17.004 -0.335 6.676 256 HA LEU 37 HA LEU 37 14.506 0.988 6.780 257 HB2 LEU 37 1HB LEU 37 15.093 -0.867 5.232 258 HB3 LEU 37 2HB LEU 37 15.030 -1.975 6.601 259 HG LEU 37 HG LEU 37 12.584 -1.080 6.840 260 HD11 LEU 37 1HD1 LEU 37 13.310 0.483 4.747 261 HD12 LEU 37 2HD1 LEU 37 11.649 0.025 5.126 262 HD13 LEU 37 3HD1 LEU 37 12.558 -0.877 3.912 263 HD21 LEU 37 1HD2 LEU 37 13.163 -2.893 4.516 264 HD22 LEU 37 2HD2 LEU 37 11.816 -2.953 5.653 265 HD23 LEU 37 3HD2 LEU 37 13.440 -3.391 6.185 266 H LEU 38 H LEU 38 13.181 1.298 8.436 267 HA LEU 38 HA LEU 38 13.460 -0.441 10.799 268 HB2 LEU 38 1HB LEU 38 12.517 2.420 10.737 269 HB3 LEU 38 2HB LEU 38 12.775 1.425 12.169 270 HG LEU 38 HG LEU 38 14.929 2.387 10.286 271 HD11 LEU 38 1HD1 LEU 38 15.498 3.497 12.664 272 HD12 LEU 38 2HD1 LEU 38 13.737 3.491 12.746 273 HD13 LEU 38 3HD1 LEU 38 14.555 4.304 11.412 274 HD21 LEU 38 1HD2 LEU 38 16.379 1.594 12.238 275 HD22 LEU 38 2HD2 LEU 38 15.699 0.364 11.172 276 HD23 LEU 38 3HD2 LEU 38 14.966 0.670 12.747 277 H GLY 39 H GLY 39 11.276 1.098 8.551 278 HA2 GLY 39 1HA GLY 39 9.251 -0.792 8.839 279 HA3 GLY 39 2HA GLY 39 8.855 0.542 9.912 280 H TYR 40 H TYR 40 6.988 0.252 8.197 281 HA TYR 40 HA TYR 40 7.136 2.564 6.517 282 HB2 TYR 40 1HB TYR 40 6.345 0.941 4.517 283 HB3 TYR 40 2HB TYR 40 8.017 1.438 4.750 284 HD1 TYR 40 1HD TYR 40 6.058 -1.068 6.681 285 HD2 TYR 40 2HD TYR 40 9.247 -0.382 3.950 286 HE1 TYR 40 1HE TYR 40 6.725 -3.427 6.877 287 HE2 TYR 40 2HE TYR 40 9.923 -2.739 4.137 288 HH TYR 40 HH TYR 40 9.658 -4.638 5.359 289 H ARG 41 H ARG 41 5.092 3.174 5.658 290 HA ARG 41 HA ARG 41 2.847 1.847 7.016 291 HB2 ARG 41 1HB ARG 41 3.004 4.109 7.719 292 HB3 ARG 41 2HB ARG 41 3.254 4.680 6.074 293 HG2 ARG 41 1HG ARG 41 0.893 3.759 5.625 294 HG3 ARG 41 2HG ARG 41 0.728 3.755 7.382 295 HD2 ARG 41 1HD ARG 41 -0.138 5.826 6.668 296 HD3 ARG 41 2HD ARG 41 1.464 6.179 7.314 297 HE ARG 41 HE ARG 41 1.388 5.722 4.466 298 HH11 ARG 41 2HH1 ARG 41 1.153 8.067 7.029 299 HH12 ARG 41 1HH1 ARG 41 1.576 9.408 6.017 300 HH21 ARG 41 2HH2 ARG 41 1.946 7.480 3.124 301 HH22 ARG 41 1HH2 ARG 41 2.026 9.073 3.796 302 H LEU 42 H LEU 42 0.890 1.489 5.901 303 HA LEU 42 HA LEU 42 1.138 1.508 2.964 304 HB2 LEU 42 1HB LEU 42 1.172 -0.738 4.324 305 HB3 LEU 42 2HB LEU 42 -0.572 -0.487 4.375 306 HG LEU 42 HG LEU 42 1.169 -0.944 1.963 307 HD11 LEU 42 1HD1 LEU 42 -1.234 -2.395 3.065 308 HD12 LEU 42 2HD1 LEU 42 0.442 -2.931 3.173 309 HD13 LEU 42 3HD1 LEU 42 -0.348 -2.821 1.601 310 HD21 LEU 42 1HD2 LEU 42 -1.228 -0.804 0.858 311 HD22 LEU 42 2HD2 LEU 42 -0.206 0.623 1.035 312 HD23 LEU 42 3HD2 LEU 42 -1.510 0.323 2.185 313 H GLN 43 H GLN 43 -0.411 2.546 1.886 314 HA GLN 43 HA GLN 43 -2.968 3.061 3.247 315 HB2 GLN 43 1HB GLN 43 -1.266 5.011 1.698 316 HB3 GLN 43 2HB GLN 43 -2.961 5.303 2.063 317 HG2 GLN 43 1HG GLN 43 -2.256 4.882 4.514 318 HG3 GLN 43 2HG GLN 43 -0.624 5.182 3.918 319 HE21 GLN 43 1HE2 GLN 43 -3.406 6.571 5.126 320 HE22 GLN 43 2HE2 GLN 43 -3.076 8.219 4.726 321 H TYR 44 H TYR 44 -4.643 2.333 2.128 322 HA TYR 44 HA TYR 44 -4.678 2.526 -0.770 323 HB2 TYR 44 1HB TYR 44 -5.187 0.178 -1.127 324 HB3 TYR 44 2HB TYR 44 -3.635 0.325 -0.310 325 HD1 TYR 44 1HD TYR 44 -7.255 -0.217 0.418 326 HD2 TYR 44 2HD TYR 44 -3.230 -0.940 1.592 327 HE1 TYR 44 1HE TYR 44 -8.049 -1.734 2.183 328 HE2 TYR 44 2HE TYR 44 -4.013 -2.461 3.360 329 HH TYR 44 HH TYR 44 -7.471 -2.952 3.962 330 H CYS 45 H CYS 45 -6.658 3.001 -1.501 331 HA CYS 45 HA CYS 45 -9.031 2.169 -0.069 332 HB2 CYS 45 1HB CYS 45 -8.048 4.468 0.829 333 HB3 CYS 45 2HB CYS 45 -8.877 5.102 -0.587 334 HG CYS 45 HG CYS 45 -10.595 3.104 1.554 335 H ARG 46 H ARG 46 -10.999 3.431 -1.226 336 HA ARG 46 HA ARG 46 -10.947 2.504 -3.917 337 HB2 ARG 46 1HB ARG 46 -12.938 3.829 -2.145 338 HB3 ARG 46 2HB ARG 46 -13.212 3.912 -3.880 339 HG2 ARG 46 1HG ARG 46 -12.744 1.312 -3.705 340 HG3 ARG 46 2HG ARG 46 -13.297 1.583 -2.051 341 HD2 ARG 46 1HD ARG 46 -14.859 2.658 -4.366 342 HD3 ARG 46 2HD ARG 46 -15.018 0.966 -3.897 343 HE ARG 46 HE ARG 46 -15.327 2.570 -1.617 344 HH11 ARG 46 2HH1 ARG 46 -16.967 1.810 -4.592 345 HH12 ARG 46 1HH1 ARG 46 -18.548 2.115 -3.951 346 HH21 ARG 46 2HH2 ARG 46 -17.402 2.975 -0.761 347 HH22 ARG 46 1HH2 ARG 46 -18.793 2.779 -1.772 348 H ALA 47 H ALA 47 -11.532 3.846 -5.798 349 HA ALA 47 HA ALA 47 -9.789 6.113 -5.983 350 HB1 ALA 47 1HB ALA 47 -11.621 4.732 -7.915 351 HB2 ALA 47 2HB ALA 47 -10.801 6.236 -8.334 352 HB3 ALA 47 3HB ALA 47 -9.859 4.805 -7.917 353 H ASP 48 H ASP 48 -12.790 5.815 -4.707 354 HA ASP 48 HA ASP 48 -13.544 8.563 -5.465 355 HB2 ASP 48 1HB ASP 48 -15.068 6.479 -6.044 356 HB3 ASP 48 2HB ASP 48 -15.564 6.657 -4.363 357 H GLU 49 H GLU 49 -12.242 6.776 -3.050 358 HA GLU 49 HA GLU 49 -13.594 8.192 -0.874 359 HB2 GLU 49 1HB GLU 49 -11.901 5.754 -1.068 360 HB3 GLU 49 2HB GLU 49 -11.818 6.675 0.427 361 HG2 GLU 49 1HG GLU 49 -14.351 5.609 -0.799 362 HG3 GLU 49 2HG GLU 49 -13.452 4.837 0.506 363 H ALA 50 H ALA 50 -12.553 9.596 0.505 364 HA ALA 50 HA ALA 50 -9.978 10.624 -0.471 365 HB1 ALA 50 1HB ALA 50 -10.701 12.601 1.083 366 HB2 ALA 50 2HB ALA 50 -11.405 12.423 -0.524 367 HB3 ALA 50 3HB ALA 50 -12.305 11.891 0.896 368 H ARG 51 H ARG 51 -11.280 8.751 1.969 369 HA ARG 51 HA ARG 51 -9.192 9.513 3.892 370 HB2 ARG 51 1HB ARG 51 -11.892 8.288 4.151 371 HB3 ARG 51 2HB ARG 51 -10.664 7.798 5.311 372 HG2 ARG 51 1HG ARG 51 -10.421 9.984 6.140 373 HG3 ARG 51 2HG ARG 51 -11.296 10.682 4.774 374 HD2 ARG 51 1HD ARG 51 -13.319 9.415 5.555 375 HD3 ARG 51 2HD ARG 51 -12.411 8.996 7.007 376 HE ARG 51 HE ARG 51 -12.757 11.117 7.792 377 HH11 ARG 51 2HH1 ARG 51 -13.446 11.037 4.380 378 HH12 ARG 51 1HH1 ARG 51 -14.094 12.644 4.341 379 HH21 ARG 51 2HH2 ARG 51 -13.608 13.233 7.753 380 HH22 ARG 51 1HH2 ARG 51 -14.185 13.892 6.260 381 HA PRO 52 HA PRO 52 -7.322 5.751 2.155 382 HB2 PRO 52 1HB PRO 52 -4.803 6.397 2.937 383 HB3 PRO 52 2HB PRO 52 -5.546 7.036 1.466 384 HG2 PRO 52 1HG PRO 52 -5.261 8.319 4.155 385 HG3 PRO 52 2HG PRO 52 -5.013 9.024 2.547 386 HD2 PRO 52 1HD PRO 52 -7.277 9.421 3.978 387 HD3 PRO 52 2HD PRO 52 -7.269 9.352 2.204 388 H ASN 53 H ASN 53 -7.059 3.858 3.182 389 HA ASN 53 HA ASN 53 -7.304 3.742 6.036 390 HB2 ASN 53 1HB ASN 53 -6.988 1.649 3.889 391 HB3 ASN 53 2HB ASN 53 -7.017 1.231 5.599 392 HD21 ASN 53 1HD2 ASN 53 -8.853 1.755 2.862 393 HD22 ASN 53 2HD2 ASN 53 -10.411 1.847 3.604 394 H THR 54 H THR 54 -5.550 4.452 7.126 395 HA THR 54 HA THR 54 -2.867 3.916 6.307 396 HB THR 54 HB THR 54 -3.774 4.823 9.042 397 HG1 THR 54 1HG THR 54 -4.601 6.349 7.710 398 HG21 THR 54 1HG2 THR 54 -1.413 6.089 8.374 399 HG22 THR 54 2HG2 THR 54 -1.196 4.460 7.735 400 HG23 THR 54 3HG2 THR 54 -1.574 4.695 9.441 401 H ILE 55 H ILE 55 -1.447 2.393 7.008 402 HA ILE 55 HA ILE 55 -2.247 0.573 9.151 403 HB ILE 55 HB ILE 55 -1.457 -0.374 6.394 404 HG12 ILE 55 1HG1 ILE 55 -4.001 -0.998 7.881 405 HG13 ILE 55 2HG1 ILE 55 -3.861 0.422 6.850 406 HG21 ILE 55 1HG2 ILE 55 -1.664 -2.624 7.270 407 HG22 ILE 55 2HG2 ILE 55 -0.462 -1.724 8.193 408 HG23 ILE 55 3HG2 ILE 55 -2.071 -1.990 8.864 409 HD11 ILE 55 1HD1 ILE 55 -3.371 -2.394 5.918 410 HD12 ILE 55 2HD1 ILE 55 -4.906 -1.540 5.755 411 HD13 ILE 55 3HD1 ILE 55 -3.469 -0.938 4.927 412 H ASP 56 H ASP 56 -0.567 -0.228 10.321 413 HA ASP 56 HA ASP 56 2.079 0.835 9.677 414 HB2 ASP 56 1HB ASP 56 1.090 1.203 11.944 415 HB3 ASP 56 2HB ASP 56 1.155 -0.537 12.209 416 H PHE 57 H PHE 57 3.765 -0.395 9.092 417 HA PHE 57 HA PHE 57 3.532 -3.313 9.346 418 HB2 PHE 57 1HB PHE 57 4.125 -1.717 6.870 419 HB3 PHE 57 2HB PHE 57 4.737 -3.359 7.046 420 HD1 PHE 57 1HD PHE 57 3.005 -5.187 7.594 421 HD2 PHE 57 2HD PHE 57 1.998 -1.354 6.039 422 HE1 PHE 57 1HE PHE 57 0.849 -6.075 6.808 423 HE2 PHE 57 2HE PHE 57 -0.159 -2.237 5.252 424 HZ PHE 57 HZ PHE 57 -0.736 -4.600 5.636 425 H GLY 58 H GLY 58 5.406 -4.394 9.811 426 HA2 GLY 58 1HA GLY 58 7.639 -2.730 10.665 427 HA3 GLY 58 2HA GLY 58 7.416 -4.437 11.016 428 H LYS 59 H LYS 59 9.793 -3.048 10.047 429 HA LYS 59 HA LYS 59 10.426 -3.177 7.430 430 HB2 LYS 59 1HB LYS 59 12.686 -3.551 8.030 431 HB3 LYS 59 2HB LYS 59 11.970 -2.682 9.382 432 HG2 LYS 59 1HG LYS 59 11.652 -4.903 10.508 433 HG3 LYS 59 2HG LYS 59 12.626 -5.611 9.218 434 HD2 LYS 59 1HD LYS 59 14.240 -5.211 10.803 435 HD3 LYS 59 2HD LYS 59 14.312 -3.710 9.877 436 HE2 LYS 59 1HE LYS 59 14.246 -2.935 12.052 437 HE3 LYS 59 2HE LYS 59 12.546 -2.875 11.589 438 HZ1 LYS 59 1HZ LYS 59 12.141 -4.121 13.360 439 HZ2 LYS 59 2HZ LYS 59 13.787 -4.376 13.654 440 HZ3 LYS 59 3HZ LYS 59 12.947 -5.401 12.602 441 H ASP 60 H ASP 60 9.622 -5.868 9.457 442 HA ASP 60 HA ASP 60 10.664 -7.891 7.712 443 HB2 ASP 60 1HB ASP 60 9.005 -7.845 10.189 444 HB3 ASP 60 2HB ASP 60 8.950 -9.292 9.185 445 H ASP 61 H ASP 61 7.489 -6.450 8.296 446 HA ASP 61 HA ASP 61 6.009 -8.146 6.609 447 HB2 ASP 61 1HB ASP 61 5.585 -5.471 7.840 448 HB3 ASP 61 2HB ASP 61 4.542 -5.913 6.491 449 H GLN 62 H GLN 62 6.986 -8.469 4.639 450 HA GLN 62 HA GLN 62 7.478 -6.120 2.955 451 HB2 GLN 62 1HB GLN 62 8.335 -9.003 2.704 452 HB3 GLN 62 2HB GLN 62 8.593 -7.809 1.439 453 HG2 GLN 62 1HG GLN 62 9.820 -6.442 3.190 454 HG3 GLN 62 2HG GLN 62 9.787 -7.895 4.188 455 HE21 GLN 62 1HE2 GLN 62 10.714 -6.756 0.968 456 HE22 GLN 62 2HE2 GLN 62 12.092 -7.786 0.808 457 H HIS 63 H HIS 63 4.995 -8.122 3.617 458 HA HIS 63 HA HIS 63 3.637 -7.486 1.164 459 HB2 HIS 63 1HB HIS 63 2.984 -10.003 0.910 460 HB3 HIS 63 2HB HIS 63 4.503 -9.427 0.230 461 HD1 HIS 63 1HD HIS 63 6.438 -10.859 0.763 462 HD2 HIS 63 2HD HIS 63 3.479 -11.131 3.667 463 HE1 HIS 63 1HE HIS 63 7.268 -12.567 2.410 464 HE2 HIS 63 2HE HIS 63 5.424 -12.777 4.112 465 H PHE 64 H PHE 64 1.343 -8.210 1.220 466 HA PHE 64 HA PHE 64 0.324 -8.892 3.863 467 HB2 PHE 64 1HB PHE 64 0.510 -6.374 3.715 468 HB3 PHE 64 2HB PHE 64 -0.688 -6.436 2.426 469 HD1 PHE 64 2HD PHE 64 -0.250 -7.803 5.874 470 HD2 PHE 64 1HD PHE 64 -2.847 -5.990 3.030 471 HE1 PHE 64 2HE PHE 64 -2.049 -7.759 7.550 472 HE2 PHE 64 1HE PHE 64 -4.651 -5.943 4.703 473 HZ PHE 64 HZ PHE 64 -4.254 -6.829 6.966 474 H THR 65 H THR 65 -1.877 -9.587 3.854 475 HA THR 65 HA THR 65 -2.794 -10.429 1.184 476 HB THR 65 HB THR 65 -3.343 -11.722 3.863 477 HG1 THR 65 1HG THR 65 -1.469 -12.157 1.833 478 HG21 THR 65 1HG2 THR 65 -5.185 -12.429 2.748 479 HG22 THR 65 2HG2 THR 65 -4.045 -13.565 2.027 480 HG23 THR 65 3HG2 THR 65 -4.487 -12.092 1.165 481 H VAL 66 H VAL 66 -4.467 -9.300 0.461 482 HA VAL 66 HA VAL 66 -6.426 -8.269 2.406 483 HB VAL 66 HB VAL 66 -5.739 -7.227 -0.346 484 HG11 VAL 66 1HG1 VAL 66 -7.631 -5.954 1.609 485 HG12 VAL 66 2HG1 VAL 66 -7.400 -5.586 -0.101 486 HG13 VAL 66 3HG1 VAL 66 -8.181 -7.093 0.381 487 HG21 VAL 66 1HG2 VAL 66 -4.064 -6.680 1.330 488 HG22 VAL 66 2HG2 VAL 66 -4.969 -5.237 0.872 489 HG23 VAL 66 3HG2 VAL 66 -5.315 -6.048 2.400 490 H THR 67 H THR 67 -8.369 -9.170 2.388 491 HA THR 67 HA THR 67 -9.339 -10.400 -0.106 492 HB THR 67 HB THR 67 -10.318 -12.230 1.100 493 HG1 THR 67 1HG THR 67 -9.364 -10.890 3.428 494 HG21 THR 67 1HG2 THR 67 -7.864 -12.319 0.517 495 HG22 THR 67 2HG2 THR 67 -8.375 -13.412 1.803 496 HG23 THR 67 3HG2 THR 67 -7.530 -11.916 2.200 497 H GLY 68 H GLY 68 -11.604 -10.379 -0.429 498 HA2 GLY 68 1HA GLY 68 -13.825 -9.786 0.127 499 HA3 GLY 68 2HA GLY 68 -13.209 -8.833 1.469 500 H LEU 69 H LEU 69 -11.362 -8.212 -1.229 501 HA LEU 69 HA LEU 69 -12.121 -5.540 -1.444 502 HB2 LEU 69 1HB LEU 69 -10.694 -7.357 -3.371 503 HB3 LEU 69 2HB LEU 69 -10.910 -5.632 -3.660 504 HG LEU 69 HG LEU 69 -9.392 -6.851 -1.353 505 HD11 LEU 69 1HD1 LEU 69 -8.550 -5.710 -3.991 506 HD12 LEU 69 2HD1 LEU 69 -8.043 -7.209 -3.211 507 HD13 LEU 69 3HD1 LEU 69 -7.477 -5.657 -2.591 508 HD21 LEU 69 1HD2 LEU 69 -10.185 -4.072 -2.060 509 HD22 LEU 69 2HD2 LEU 69 -8.599 -4.338 -1.336 510 HD23 LEU 69 3HD2 LEU 69 -10.056 -4.845 -0.480 511 H HIS 70 H HIS 70 -13.519 -4.425 -2.720 512 HA HIS 70 HA HIS 70 -15.786 -5.773 -3.743 513 HB2 HIS 70 1HB HIS 70 -14.840 -2.919 -4.012 514 HB3 HIS 70 2HB HIS 70 -16.372 -3.487 -4.668 515 HD1 HIS 70 1HD HIS 70 -17.727 -1.962 -3.093 516 HD2 HIS 70 2HD HIS 70 -15.295 -4.693 -1.121 517 HE1 HIS 70 1HE HIS 70 -18.480 -1.923 -0.693 518 HE2 HIS 70 2HE HIS 70 -16.938 -3.520 0.496 519 H LYS 71 H LYS 71 -15.963 -6.836 -5.591 520 HA LYS 71 HA LYS 71 -13.982 -6.805 -7.605 521 HB2 LYS 71 1HB LYS 71 -15.622 -8.164 -8.905 522 HB3 LYS 71 2HB LYS 71 -15.317 -8.778 -7.285 523 HG2 LYS 71 1HG LYS 71 -17.408 -8.145 -6.513 524 HG3 LYS 71 2HG LYS 71 -17.642 -6.971 -7.810 525 HD2 LYS 71 1HD LYS 71 -18.209 -8.594 -9.354 526 HD3 LYS 71 2HD LYS 71 -17.366 -9.872 -8.474 527 HE2 LYS 71 1HE LYS 71 -19.877 -8.506 -7.515 528 HE3 LYS 71 2HE LYS 71 -19.848 -10.042 -8.379 529 HZ1 LYS 71 1HZ LYS 71 -19.726 -10.918 -6.343 530 HZ2 LYS 71 2HZ LYS 71 -19.228 -9.471 -5.622 531 HZ3 LYS 71 3HZ LYS 71 -18.095 -10.470 -6.383 532 H GLY 72 H GLY 72 -14.123 -6.081 -9.781 533 HA2 GLY 72 1HA GLY 72 -14.572 -4.538 -11.419 534 HA3 GLY 72 2HA GLY 72 -16.231 -4.562 -10.840 535 H THR 73 H THR 73 -13.486 -3.621 -8.870 536 HA THR 73 HA THR 73 -14.324 -0.810 -9.069 537 HB THR 73 HB THR 73 -13.964 -2.425 -6.555 538 HG1 THR 73 1HG THR 73 -15.951 -0.496 -7.174 539 HG21 THR 73 1HG2 THR 73 -13.684 0.545 -6.932 540 HG22 THR 73 2HG2 THR 73 -12.614 -0.562 -6.072 541 HG23 THR 73 3HG2 THR 73 -14.190 -0.155 -5.395 542 H THR 74 H THR 74 -12.696 0.626 -9.193 543 HA THR 74 HA THR 74 -9.995 -0.387 -9.366 544 HB THR 74 HB THR 74 -11.113 2.389 -9.788 545 HG1 THR 74 1HG THR 74 -10.399 0.239 -11.486 546 HG21 THR 74 1HG2 THR 74 -9.025 3.161 -9.677 547 HG22 THR 74 2HG2 THR 74 -8.599 2.110 -11.028 548 HG23 THR 74 3HG2 THR 74 -8.405 1.539 -9.371 549 H TYR 75 H TYR 75 -8.393 -0.124 -7.920 550 HA TYR 75 HA TYR 75 -8.954 1.527 -5.544 551 HB2 TYR 75 1HB TYR 75 -7.791 -1.225 -5.779 552 HB3 TYR 75 2HB TYR 75 -7.325 -0.196 -4.430 553 HD1 TYR 75 1HD TYR 75 -8.945 0.419 -2.715 554 HD2 TYR 75 2HD TYR 75 -10.035 -2.123 -5.948 555 HE1 TYR 75 1HE TYR 75 -10.980 -0.243 -1.501 556 HE2 TYR 75 2HE TYR 75 -12.073 -2.791 -4.744 557 HH TYR 75 HH TYR 75 -12.640 -2.773 -1.938 558 H ILE 76 H ILE 76 -6.975 2.237 -4.381 559 HA ILE 76 HA ILE 76 -4.671 2.585 -6.174 560 HB ILE 76 HB ILE 76 -5.731 4.803 -4.429 561 HG12 ILE 76 1HG1 ILE 76 -5.976 4.854 -7.408 562 HG13 ILE 76 2HG1 ILE 76 -7.175 3.962 -6.478 563 HG21 ILE 76 1HG2 ILE 76 -3.380 4.982 -4.912 564 HG22 ILE 76 2HG2 ILE 76 -3.674 4.717 -6.629 565 HG23 ILE 76 3HG2 ILE 76 -4.252 6.191 -5.854 566 HD11 ILE 76 1HD1 ILE 76 -7.977 6.179 -6.917 567 HD12 ILE 76 2HD1 ILE 76 -7.644 6.013 -5.193 568 HD13 ILE 76 3HD1 ILE 76 -6.515 6.885 -6.229 569 H PHE 77 H PHE 77 -3.217 1.336 -5.136 570 HA PHE 77 HA PHE 77 -2.988 1.437 -2.241 571 HB2 PHE 77 1HB PHE 77 -1.655 -0.221 -4.375 572 HB3 PHE 77 2HB PHE 77 -1.118 -0.255 -2.699 573 HD1 PHE 77 2HD PHE 77 -2.516 -1.221 -0.963 574 HD2 PHE 77 1HD PHE 77 -3.743 -1.210 -5.039 575 HE1 PHE 77 2HE PHE 77 -4.238 -2.900 -0.446 576 HE2 PHE 77 1HE PHE 77 -5.468 -2.889 -4.528 577 HZ PHE 77 HZ PHE 77 -5.716 -3.737 -2.229 578 H ARG 78 H ARG 78 -1.239 2.219 -1.107 579 HA ARG 78 HA ARG 78 0.922 3.503 -2.604 580 HB2 ARG 78 1HB ARG 78 -1.045 4.861 -0.811 581 HB3 ARG 78 2HB ARG 78 0.620 5.427 -0.819 582 HG2 ARG 78 1HG ARG 78 0.240 5.414 -3.432 583 HG3 ARG 78 2HG ARG 78 -1.447 5.574 -2.941 584 HD2 ARG 78 1HD ARG 78 -0.920 7.556 -1.656 585 HD3 ARG 78 2HD ARG 78 0.795 7.367 -2.019 586 HE ARG 78 HE ARG 78 -0.339 7.535 -4.468 587 HH11 ARG 78 2HH1 ARG 78 -0.528 9.504 -1.603 588 HH12 ARG 78 1HH1 ARG 78 -0.791 10.978 -2.475 589 HH21 ARG 78 2HH2 ARG 78 -0.685 9.469 -5.628 590 HH22 ARG 78 1HH2 ARG 78 -0.882 10.957 -4.764 591 H LEU 79 H LEU 79 2.872 3.328 -1.646 592 HA LEU 79 HA LEU 79 2.976 2.489 1.168 593 HB2 LEU 79 1HB LEU 79 3.220 0.572 -0.472 594 HB3 LEU 79 2HB LEU 79 4.740 1.315 -0.967 595 HG LEU 79 HG LEU 79 5.545 1.068 1.381 596 HD11 LEU 79 1HD1 LEU 79 4.238 0.356 3.034 597 HD12 LEU 79 2HD1 LEU 79 3.637 -0.998 2.078 598 HD13 LEU 79 3HD1 LEU 79 2.877 0.587 1.936 599 HD21 LEU 79 1HD2 LEU 79 6.474 -0.594 0.161 600 HD22 LEU 79 2HD2 LEU 79 4.924 -1.148 -0.472 601 HD23 LEU 79 3HD2 LEU 79 5.424 -1.600 1.158 602 H ALA 80 H ALA 80 4.956 2.967 2.254 603 HA ALA 80 HA ALA 80 6.855 4.697 0.875 604 HB1 ALA 80 1HB ALA 80 4.831 5.938 2.098 605 HB2 ALA 80 2HB ALA 80 5.917 5.749 3.476 606 HB3 ALA 80 3HB ALA 80 6.463 6.605 2.034 607 H ALA 81 H ALA 81 8.878 4.826 1.871 608 HA ALA 81 HA ALA 81 9.398 2.682 3.780 609 HB1 ALA 81 1HB ALA 81 10.727 3.411 1.544 610 HB2 ALA 81 2HB ALA 81 11.661 4.267 2.771 611 HB3 ALA 81 3HB ALA 81 11.455 2.519 2.880 612 H LYS 82 H LYS 82 10.411 2.977 5.756 613 HA LYS 82 HA LYS 82 10.593 5.762 6.704 614 HB2 LYS 82 1HB LYS 82 8.642 4.281 7.566 615 HB3 LYS 82 2HB LYS 82 9.882 3.475 8.518 616 HG2 LYS 82 1HG LYS 82 10.455 5.970 9.199 617 HG3 LYS 82 2HG LYS 82 8.755 6.203 8.783 618 HD2 LYS 82 1HD LYS 82 9.705 4.038 10.649 619 HD3 LYS 82 2HD LYS 82 9.245 5.650 11.204 620 HE2 LYS 82 1HE LYS 82 7.283 4.448 11.466 621 HE3 LYS 82 2HE LYS 82 7.056 5.210 9.892 622 HZ1 LYS 82 1HZ LYS 82 6.976 2.497 10.500 623 HZ2 LYS 82 2HZ LYS 82 8.356 2.737 9.551 624 HZ3 LYS 82 3HZ LYS 82 6.840 3.222 8.977 625 H ASN 83 H ASN 83 12.571 6.316 7.311 626 HA ASN 83 HA ASN 83 14.418 4.193 8.186 627 HB2 ASN 83 1HB ASN 83 16.239 5.735 7.418 628 HB3 ASN 83 2HB ASN 83 15.196 5.156 6.122 629 HD21 ASN 83 1HD2 ASN 83 16.424 7.157 5.265 630 HD22 ASN 83 2HD2 ASN 83 15.556 8.647 5.368 631 H ARG 84 H ARG 84 16.371 5.404 9.414 632 HA ARG 84 HA ARG 84 15.462 6.030 11.941 633 HB2 ARG 84 1HB ARG 84 18.035 7.000 10.683 634 HB3 ARG 84 2HB ARG 84 17.707 6.866 12.405 635 HG2 ARG 84 1HG ARG 84 17.258 4.354 11.809 636 HG3 ARG 84 2HG ARG 84 18.263 4.733 10.408 637 HD2 ARG 84 1HD ARG 84 20.028 5.541 11.909 638 HD3 ARG 84 2HD ARG 84 19.024 5.133 13.300 639 HE ARG 84 HE ARG 84 20.577 3.328 11.695 640 HH11 ARG 84 2HH1 ARG 84 17.814 3.627 13.793 641 HH12 ARG 84 1HH1 ARG 84 17.828 1.960 14.264 642 HH21 ARG 84 2HH2 ARG 84 20.606 1.131 12.308 643 HH22 ARG 84 1HH2 ARG 84 19.417 0.541 13.420 644 H ALA 85 H ALA 85 15.442 7.989 9.155 645 HA ALA 85 HA ALA 85 15.278 10.479 10.673 646 HB1 ALA 85 1HB ALA 85 15.342 11.604 8.541 647 HB2 ALA 85 2HB ALA 85 16.629 10.398 8.604 648 HB3 ALA 85 3HB ALA 85 15.157 10.071 7.688 649 H GLY 86 H GLY 86 13.278 8.277 8.817 650 HA2 GLY 86 1HA GLY 86 10.899 8.428 9.825 651 HA3 GLY 86 2HA GLY 86 10.964 10.058 9.171 652 H LEU 87 H LEU 87 9.064 9.402 7.950 653 HA LEU 87 HA LEU 87 9.334 7.389 5.916 654 HB2 LEU 87 1HB LEU 87 7.223 9.523 6.179 655 HB3 LEU 87 2HB LEU 87 7.122 8.044 5.226 656 HG LEU 87 HG LEU 87 7.510 7.806 8.169 657 HD11 LEU 87 1HD1 LEU 87 4.720 7.973 7.208 658 HD12 LEU 87 2HD1 LEU 87 5.589 9.496 7.397 659 HD13 LEU 87 3HD1 LEU 87 5.414 8.405 8.771 660 HD21 LEU 87 1HD2 LEU 87 5.530 6.115 6.982 661 HD22 LEU 87 2HD2 LEU 87 7.073 5.679 7.718 662 HD23 LEU 87 3HD2 LEU 87 6.997 6.085 6.003 663 H GLY 88 H GLY 88 9.371 7.722 3.662 664 HA2 GLY 88 1HA GLY 88 10.309 10.406 2.853 665 HA3 GLY 88 2HA GLY 88 11.029 8.926 2.235 666 H GLU 89 H GLU 89 10.581 9.198 0.094 667 HA GLU 89 HA GLU 89 8.236 10.188 -1.020 668 HB2 GLU 89 1HB GLU 89 10.249 8.216 -2.097 669 HB3 GLU 89 2HB GLU 89 8.924 8.853 -3.063 670 HG2 GLU 89 1HG GLU 89 9.772 11.115 -2.750 671 HG3 GLU 89 2HG GLU 89 11.091 10.489 -1.764 672 H GLU 90 H GLU 90 6.561 9.029 -2.224 673 HA GLU 90 HA GLU 90 5.901 6.424 -1.018 674 HB2 GLU 90 1HB GLU 90 3.935 8.621 -1.686 675 HB3 GLU 90 2HB GLU 90 3.552 7.062 -0.969 676 HG2 GLU 90 1HG GLU 90 5.135 7.778 0.923 677 HG3 GLU 90 2HG GLU 90 4.955 9.400 0.258 678 H PHE 91 H PHE 91 5.053 4.881 -2.351 679 HA PHE 91 HA PHE 91 5.214 5.448 -5.212 680 HB2 PHE 91 1HB PHE 91 6.468 3.516 -4.350 681 HB3 PHE 91 2HB PHE 91 4.970 2.809 -3.752 682 HD1 PHE 91 2HD PHE 91 3.096 2.512 -5.585 683 HD2 PHE 91 1HD PHE 91 7.262 2.835 -6.391 684 HE1 PHE 91 2HE PHE 91 2.760 1.393 -7.749 685 HE2 PHE 91 1HE PHE 91 6.933 1.717 -8.558 686 HZ PHE 91 HZ PHE 91 4.680 0.993 -9.239 687 H GLU 92 H GLU 92 3.542 5.071 -6.648 688 HA GLU 92 HA GLU 92 0.893 4.670 -5.419 689 HB2 GLU 92 1HB GLU 92 1.125 6.942 -6.235 690 HB3 GLU 92 2HB GLU 92 1.659 6.359 -7.805 691 HG2 GLU 92 1HG GLU 92 -1.008 5.530 -6.772 692 HG3 GLU 92 2HG GLU 92 -0.798 7.146 -7.445 693 H LYS 93 H LYS 93 -0.505 3.240 -6.342 694 HA LYS 93 HA LYS 93 0.184 2.000 -8.891 695 HB2 LYS 93 1HB LYS 93 1.141 0.757 -6.758 696 HB3 LYS 93 2HB LYS 93 -0.508 0.153 -6.649 697 HG2 LYS 93 1HG LYS 93 1.114 -0.064 -9.165 698 HG3 LYS 93 2HG LYS 93 1.167 -1.285 -7.891 699 HD2 LYS 93 1HD LYS 93 -1.201 -1.690 -8.121 700 HD3 LYS 93 2HD LYS 93 -1.347 -0.373 -9.288 701 HE2 LYS 93 1HE LYS 93 -1.308 -2.553 -10.395 702 HE3 LYS 93 2HE LYS 93 0.090 -1.576 -10.844 703 HZ1 LYS 93 1HZ LYS 93 1.346 -2.817 -9.099 704 HZ2 LYS 93 2HZ LYS 93 0.858 -3.758 -10.417 705 HZ3 LYS 93 3HZ LYS 93 0.020 -3.857 -8.951 706 H GLU 94 H GLU 94 -1.577 1.701 -10.095 707 HA GLU 94 HA GLU 94 -4.195 1.761 -8.748 708 HB2 GLU 94 1HB GLU 94 -3.678 3.674 -10.275 709 HB3 GLU 94 2HB GLU 94 -3.579 2.529 -11.605 710 HG2 GLU 94 1HG GLU 94 -5.888 1.971 -11.393 711 HG3 GLU 94 2HG GLU 94 -6.028 2.900 -9.901 712 H ILE 95 H ILE 95 -5.472 0.036 -8.915 713 HA ILE 95 HA ILE 95 -5.023 -1.861 -11.113 714 HB ILE 95 HB ILE 95 -5.172 -3.761 -9.667 715 HG12 ILE 95 1HG1 ILE 95 -6.771 -2.895 -8.040 716 HG13 ILE 95 2HG1 ILE 95 -5.353 -3.531 -7.214 717 HG21 ILE 95 1HG2 ILE 95 -2.957 -3.393 -9.630 718 HG22 ILE 95 2HG2 ILE 95 -3.144 -1.699 -9.180 719 HG23 ILE 95 3HG2 ILE 95 -3.238 -2.954 -7.945 720 HD11 ILE 95 1HD1 ILE 95 -6.369 -0.772 -7.391 721 HD12 ILE 95 2HD1 ILE 95 -5.540 -1.601 -6.073 722 HD13 ILE 95 3HD1 ILE 95 -4.618 -0.971 -7.438 723 H ARG 96 H ARG 96 -6.877 -3.660 -10.850 724 HA ARG 96 HA ARG 96 -9.412 -2.518 -10.034 725 HB2 ARG 96 1HB ARG 96 -9.003 -1.632 -12.339 726 HB3 ARG 96 2HB ARG 96 -8.977 -3.292 -12.922 727 HG2 ARG 96 1HG ARG 96 -11.270 -3.610 -12.305 728 HG3 ARG 96 2HG ARG 96 -11.319 -2.034 -11.512 729 HD2 ARG 96 1HD ARG 96 -12.270 -1.490 -13.516 730 HD3 ARG 96 2HD ARG 96 -10.574 -1.197 -13.900 731 HE ARG 96 HE ARG 96 -10.750 -2.826 -15.473 732 HH11 ARG 96 2HH1 ARG 96 -13.115 -3.449 -12.995 733 HH12 ARG 96 1HH1 ARG 96 -13.777 -4.837 -13.793 734 HH21 ARG 96 2HH2 ARG 96 -11.613 -4.653 -16.533 735 HH22 ARG 96 1HH2 ARG 96 -12.921 -5.522 -15.804 736 H THR 97 H THR 97 -10.362 -4.114 -8.971 737 HA THR 97 HA THR 97 -9.617 -6.818 -9.147 738 HB THR 97 HB THR 97 -11.753 -7.244 -7.856 739 HG1 THR 97 1HG THR 97 -11.927 -4.402 -7.832 740 HG21 THR 97 1HG2 THR 97 -10.472 -6.897 -6.067 741 HG22 THR 97 2HG2 THR 97 -10.660 -5.151 -6.229 742 HG23 THR 97 3HG2 THR 97 -9.358 -5.981 -7.081 743 HA PRO 98 HA PRO 98 -11.874 -8.309 -12.617 744 HB2 PRO 98 1HB PRO 98 -12.149 -10.912 -11.894 745 HB3 PRO 98 2HB PRO 98 -10.614 -10.222 -12.432 746 HG2 PRO 98 1HG PRO 98 -11.582 -10.748 -9.649 747 HG3 PRO 98 2HG PRO 98 -9.981 -11.045 -10.351 748 HD2 PRO 98 1HD PRO 98 -10.513 -8.894 -8.795 749 HD3 PRO 98 2HD PRO 98 -9.333 -8.845 -10.121 750 H GLU 99 H GLU 99 -13.941 -7.804 -12.966 751 HA GLU 99 HA GLU 99 -15.956 -8.014 -10.958 752 HB2 GLU 99 1HB GLU 99 -17.470 -7.482 -13.002 753 HB3 GLU 99 2HB GLU 99 -16.345 -6.260 -12.426 754 HG2 GLU 99 1HG GLU 99 -14.913 -6.543 -14.223 755 HG3 GLU 99 2HG GLU 99 -15.549 -8.142 -14.606 756 H ASP 100 H ASP 100 -18.097 -9.106 -11.487 757 HA ASP 100 HA ASP 100 -17.650 -11.897 -11.719 758 HB2 ASP 100 1HB ASP 100 -20.083 -12.106 -11.526 759 HB3 ASP 100 2HB ASP 100 -19.457 -10.962 -10.341 760 H LEU 101 H LEU 101 -18.504 -13.352 -13.295 761 HA LEU 101 HA LEU 101 -18.637 -12.155 -15.980 762 HB2 LEU 101 1HB LEU 101 -16.766 -13.665 -15.655 763 HB3 LEU 101 2HB LEU 101 -17.861 -14.937 -15.116 764 HG LEU 101 HG LEU 101 -18.895 -14.778 -17.456 765 HD11 LEU 101 1HD1 LEU 101 -16.308 -13.855 -18.487 766 HD12 LEU 101 2HD1 LEU 101 -17.293 -12.608 -17.723 767 HD13 LEU 101 3HD1 LEU 101 -17.944 -13.543 -19.069 768 HD21 LEU 101 1HD2 LEU 101 -16.985 -16.380 -16.390 769 HD22 LEU 101 2HD2 LEU 101 -16.147 -15.754 -17.810 770 HD23 LEU 101 3HD2 LEU 101 -17.687 -16.595 -17.994 771 H SER 102 H SER 102 -20.071 -14.656 -13.917 772 HA SER 102 HA SER 102 -22.071 -15.742 -13.991 773 HB2 SER 102 1HB SER 102 -22.737 -13.013 -15.053 774 HB3 SER 102 2HB SER 102 -23.981 -14.260 -14.979 775 HG SER 102 HG SER 102 -22.396 -13.741 -12.720 776 H GLY 103 H GLY 103 -20.324 -16.420 -16.062 777 HA2 GLY 103 1HA GLY 103 -21.518 -16.341 -18.626 778 HA3 GLY 103 2HA GLY 103 -20.259 -17.454 -18.112 779 HA PRO 104 HA PRO 104 -24.441 -19.600 -18.733 780 HB2 PRO 104 1HB PRO 104 -23.802 -20.990 -20.976 781 HB3 PRO 104 2HB PRO 104 -24.524 -19.377 -21.018 782 HG2 PRO 104 1HG PRO 104 -21.657 -20.177 -21.332 783 HG3 PRO 104 2HG PRO 104 -22.595 -18.989 -22.257 784 HD2 PRO 104 1HD PRO 104 -20.885 -18.276 -20.282 785 HD3 PRO 104 2HD PRO 104 -22.364 -17.361 -20.641 786 H SER 105 H SER 105 -24.655 -21.413 -17.586 787 HA SER 105 HA SER 105 -22.308 -23.127 -17.210 788 HB2 SER 105 1HB SER 105 -24.890 -22.940 -15.640 789 HB3 SER 105 2HB SER 105 -23.558 -24.031 -15.262 790 HG SER 105 HG SER 105 -23.850 -21.439 -14.624 791 H SER 106 H SER 106 -23.610 -23.363 -19.665 792 HA SER 106 HA SER 106 -25.578 -25.361 -19.776 793 HB2 SER 106 1HB SER 106 -23.557 -24.323 -21.742 794 HB3 SER 106 2HB SER 106 -24.564 -25.712 -22.152 795 HG SER 106 HG SER 106 -25.705 -23.336 -21.154 796 H GLY 107 H GLY 107 -25.386 -27.582 -20.445 797 HA2 GLY 107 1HA GLY 107 -22.768 -28.822 -19.971 798 HA3 GLY 107 2HA GLY 107 -24.132 -29.346 -18.995 Start of MODEL 2 1 H1 GLY 1 H GLY 1 12.168 24.789 -3.569 2 HA2 GLY 1 1HA GLY 1 12.307 22.994 -1.877 3 HA3 GLY 1 2HA GLY 1 13.724 22.416 -2.741 4 H SER 2 H SER 2 13.588 23.089 0.037 5 HA SER 2 HA SER 2 15.161 25.562 0.189 6 HB2 SER 2 1HB SER 2 13.126 25.144 1.695 7 HB3 SER 2 2HB SER 2 14.138 23.973 2.540 8 HG SER 2 HG SER 2 15.684 25.865 2.627 9 H SER 3 H SER 3 15.198 22.276 1.577 10 HA SER 3 HA SER 3 18.135 22.466 1.709 11 HB2 SER 3 1HB SER 3 16.977 22.176 3.895 12 HB3 SER 3 2HB SER 3 16.317 20.649 3.310 13 HG SER 3 HG SER 3 18.284 19.750 3.379 14 H GLY 4 H GLY 4 15.501 20.124 1.168 15 HA2 GLY 4 1HA GLY 4 16.052 19.063 -1.192 16 HA3 GLY 4 2HA GLY 4 17.355 18.364 -0.243 17 H SER 5 H SER 5 16.637 16.254 -0.505 18 HA SER 5 HA SER 5 14.044 15.618 0.737 19 HB2 SER 5 1HB SER 5 15.646 13.869 -1.140 20 HB3 SER 5 2HB SER 5 13.992 13.606 -0.589 21 HG SER 5 HG SER 5 14.979 15.519 -2.404 22 H SER 6 H SER 6 14.888 15.641 2.862 23 HA SER 6 HA SER 6 17.063 13.889 3.575 24 HB2 SER 6 1HB SER 6 15.291 15.803 5.030 25 HB3 SER 6 2HB SER 6 16.115 14.555 5.965 26 HG SER 6 HG SER 6 17.552 16.175 5.914 27 H GLY 7 H GLY 7 15.200 12.369 2.306 28 HA2 GLY 7 1HA GLY 7 14.485 10.495 4.403 29 HA3 GLY 7 2HA GLY 7 13.125 11.169 3.518 30 HA PRO 8 HA PRO 8 15.023 7.406 1.344 31 HB2 PRO 8 1HB PRO 8 12.988 5.667 1.795 32 HB3 PRO 8 2HB PRO 8 14.365 5.839 2.890 33 HG2 PRO 8 1HG PRO 8 11.618 7.010 3.102 34 HG3 PRO 8 2HG PRO 8 12.619 6.267 4.364 35 HD2 PRO 8 1HD PRO 8 12.389 8.950 4.078 36 HD3 PRO 8 2HD PRO 8 13.873 8.177 4.669 37 H GLY 9 H GLY 9 14.184 6.412 -0.603 38 HA2 GLY 9 1HA GLY 9 12.435 8.200 -2.041 39 HA3 GLY 9 2HA GLY 9 13.260 6.793 -2.696 40 H ARG 10 H ARG 10 11.307 6.277 -3.820 41 HA ARG 10 HA ARG 10 9.062 5.410 -2.156 42 HB2 ARG 10 1HB ARG 10 7.789 5.284 -4.218 43 HB3 ARG 10 2HB ARG 10 8.587 6.847 -4.107 44 HG2 ARG 10 1HG ARG 10 10.373 5.963 -5.602 45 HG3 ARG 10 2HG ARG 10 9.402 4.504 -5.807 46 HD2 ARG 10 1HD ARG 10 7.557 5.885 -6.675 47 HD3 ARG 10 2HD ARG 10 8.574 7.316 -6.516 48 HE ARG 10 HE ARG 10 9.952 5.467 -8.079 49 HH11 ARG 10 2HH1 ARG 10 7.051 7.386 -8.235 50 HH12 ARG 10 1HH1 ARG 10 7.077 7.520 -9.962 51 HH21 ARG 10 2HH2 ARG 10 9.997 5.637 -10.353 52 HH22 ARG 10 1HH2 ARG 10 8.752 6.524 -11.166 53 HA PRO 11 HA PRO 11 10.526 1.226 -2.442 54 HB2 PRO 11 1HB PRO 11 8.375 0.074 -1.251 55 HB3 PRO 11 2HB PRO 11 9.625 0.938 -0.348 56 HG2 PRO 11 1HG PRO 11 6.929 1.890 -1.234 57 HG3 PRO 11 2HG PRO 11 7.745 2.129 0.323 58 HD2 PRO 11 1HD PRO 11 7.672 4.042 -1.593 59 HD3 PRO 11 2HD PRO 11 9.043 3.856 -0.480 60 H THR 12 H THR 12 10.010 -0.694 -3.564 61 HA THR 12 HA THR 12 8.241 -0.274 -5.831 62 HB THR 12 HB THR 12 10.096 -2.585 -5.228 63 HG1 THR 12 1HG THR 12 11.246 -0.669 -5.612 64 HG21 THR 12 1HG2 THR 12 9.065 -3.631 -6.906 65 HG22 THR 12 2HG2 THR 12 9.623 -2.350 -7.983 66 HG23 THR 12 3HG2 THR 12 8.042 -2.228 -7.211 67 H MET 13 H MET 13 6.147 -0.653 -5.404 68 HA MET 13 HA MET 13 5.403 -2.934 -3.735 69 HB2 MET 13 1HB MET 13 4.382 -0.667 -3.372 70 HB3 MET 13 2HB MET 13 3.601 -0.830 -4.940 71 HG2 MET 13 1HG MET 13 2.199 -2.526 -4.209 72 HG3 MET 13 2HG MET 13 3.226 -2.910 -2.829 73 HE1 MET 13 1HE MET 13 2.403 0.805 -3.776 74 HE2 MET 13 2HE MET 13 1.015 -0.078 -4.411 75 HE3 MET 13 3HE MET 13 0.813 1.015 -3.041 76 H MET 14 H MET 14 4.359 -4.711 -4.479 77 HA MET 14 HA MET 14 3.665 -4.783 -7.339 78 HB2 MET 14 1HB MET 14 5.007 -6.980 -5.752 79 HB3 MET 14 2HB MET 14 4.471 -7.112 -7.422 80 HG2 MET 14 1HG MET 14 6.023 -5.136 -7.884 81 HG3 MET 14 2HG MET 14 6.715 -5.478 -6.300 82 HE1 MET 14 1HE MET 14 8.252 -8.227 -5.996 83 HE2 MET 14 2HE MET 14 9.447 -7.513 -7.078 84 HE3 MET 14 3HE MET 14 8.509 -6.482 -5.997 85 H ILE 15 H ILE 15 1.496 -4.796 -7.296 86 HA ILE 15 HA ILE 15 0.121 -6.515 -5.358 87 HB ILE 15 HB ILE 15 -1.067 -4.430 -7.191 88 HG12 ILE 15 1HG1 ILE 15 -0.848 -4.068 -4.237 89 HG13 ILE 15 2HG1 ILE 15 0.589 -3.795 -5.215 90 HG21 ILE 15 1HG2 ILE 15 -3.075 -4.674 -5.942 91 HG22 ILE 15 2HG2 ILE 15 -2.557 -6.293 -6.410 92 HG23 ILE 15 3HG2 ILE 15 -2.289 -5.723 -4.763 93 HD11 ILE 15 1HD1 ILE 15 -1.684 -2.101 -4.796 94 HD12 ILE 15 2HD1 ILE 15 -0.144 -1.742 -5.577 95 HD13 ILE 15 3HD1 ILE 15 -1.469 -2.431 -6.515 96 H SER 16 H SER 16 -0.695 -8.403 -5.965 97 HA SER 16 HA SER 16 -1.444 -8.800 -8.777 98 HB2 SER 16 1HB SER 16 0.493 -10.391 -7.152 99 HB3 SER 16 2HB SER 16 -0.534 -11.247 -8.302 100 HG SER 16 HG SER 16 0.268 -9.390 -9.756 101 H THR 17 H THR 17 -3.327 -9.843 -9.075 102 HA THR 17 HA THR 17 -4.857 -10.565 -6.711 103 HB THR 17 HB THR 17 -6.770 -10.768 -8.248 104 HG1 THR 17 1HG THR 17 -6.513 -10.501 -10.418 105 HG21 THR 17 1HG2 THR 17 -5.785 -8.221 -9.230 106 HG22 THR 17 2HG2 THR 17 -5.441 -8.444 -7.515 107 HG23 THR 17 3HG2 THR 17 -7.098 -8.562 -8.105 108 H THR 18 H THR 18 -5.263 -12.583 -6.065 109 HA THR 18 HA THR 18 -4.632 -14.791 -7.914 110 HB THR 18 HB THR 18 -3.917 -16.133 -5.984 111 HG1 THR 18 1HG THR 18 -3.996 -15.354 -3.970 112 HG21 THR 18 1HG2 THR 18 -2.466 -14.230 -7.267 113 HG22 THR 18 2HG2 THR 18 -1.797 -15.365 -6.095 114 HG23 THR 18 3HG2 THR 18 -2.253 -13.739 -5.587 115 H ALA 19 H ALA 19 -6.111 -14.607 -4.683 116 HA ALA 19 HA ALA 19 -8.135 -16.502 -5.406 117 HB1 ALA 19 1HB ALA 19 -8.516 -14.938 -2.944 118 HB2 ALA 19 2HB ALA 19 -8.524 -16.684 -3.197 119 HB3 ALA 19 3HB ALA 19 -6.993 -15.820 -3.056 120 H MET 20 H MET 20 -10.471 -15.812 -4.473 121 HA MET 20 HA MET 20 -11.384 -13.791 -6.310 122 HB2 MET 20 1HB MET 20 -12.733 -15.696 -4.423 123 HB3 MET 20 2HB MET 20 -13.643 -14.389 -5.169 124 HG2 MET 20 1HG MET 20 -13.935 -16.377 -6.462 125 HG3 MET 20 2HG MET 20 -12.965 -15.233 -7.387 126 HE1 MET 20 1HE MET 20 -11.491 -18.655 -8.539 127 HE2 MET 20 2HE MET 20 -13.169 -18.461 -8.032 128 HE3 MET 20 3HE MET 20 -12.388 -17.207 -8.996 129 H ASN 21 H ASN 21 -11.677 -11.710 -5.874 130 HA ASN 21 HA ASN 21 -11.873 -9.740 -4.755 131 HB2 ASN 21 1HB ASN 21 -13.055 -11.260 -2.440 132 HB3 ASN 21 2HB ASN 21 -13.420 -9.623 -2.978 133 HD21 ASN 21 1HD2 ASN 21 -14.519 -9.396 -5.041 134 HD22 ASN 21 2HD2 ASN 21 -15.630 -10.622 -5.538 135 H THR 22 H THR 22 -9.433 -11.172 -4.504 136 HA THR 22 HA THR 22 -8.491 -10.048 -1.964 137 HB THR 22 HB THR 22 -7.207 -11.950 -1.377 138 HG1 THR 22 1HG THR 22 -6.809 -13.618 -2.747 139 HG21 THR 22 1HG2 THR 22 -9.667 -13.344 -2.334 140 HG22 THR 22 2HG2 THR 22 -9.826 -12.025 -1.175 141 HG23 THR 22 3HG2 THR 22 -8.855 -13.441 -0.772 142 H ALA 23 H ALA 23 -6.587 -8.993 -2.103 143 HA ALA 23 HA ALA 23 -5.096 -9.213 -4.637 144 HB1 ALA 23 1HB ALA 23 -6.310 -7.091 -4.485 145 HB2 ALA 23 2HB ALA 23 -5.485 -6.731 -2.968 146 HB3 ALA 23 3HB ALA 23 -4.563 -6.845 -4.467 147 H LEU 24 H LEU 24 -3.129 -10.018 -4.368 148 HA LEU 24 HA LEU 24 -1.927 -10.193 -1.760 149 HB2 LEU 24 1HB LEU 24 -1.731 -12.035 -3.328 150 HB3 LEU 24 2HB LEU 24 -0.909 -10.989 -4.483 151 HG LEU 24 HG LEU 24 1.037 -10.872 -3.101 152 HD11 LEU 24 1HD1 LEU 24 0.392 -10.728 -0.906 153 HD12 LEU 24 2HD1 LEU 24 0.964 -12.395 -0.971 154 HD13 LEU 24 3HD1 LEU 24 -0.764 -12.053 -1.042 155 HD21 LEU 24 1HD2 LEU 24 0.407 -13.754 -2.802 156 HD22 LEU 24 2HD2 LEU 24 1.823 -12.968 -3.499 157 HD23 LEU 24 3HD2 LEU 24 0.324 -13.065 -4.424 158 H LEU 25 H LEU 25 -0.589 -8.771 -0.873 159 HA LEU 25 HA LEU 25 0.567 -6.679 -2.577 160 HB2 LEU 25 1HB LEU 25 0.261 -6.758 0.420 161 HB3 LEU 25 2HB LEU 25 0.848 -5.394 -0.530 162 HG LEU 25 HG LEU 25 -1.932 -6.515 -0.819 163 HD11 LEU 25 1HD1 LEU 25 -2.286 -5.736 1.251 164 HD12 LEU 25 2HD1 LEU 25 -2.240 -4.150 0.482 165 HD13 LEU 25 3HD1 LEU 25 -0.795 -4.794 1.262 166 HD21 LEU 25 1HD2 LEU 25 -0.398 -4.275 -1.972 167 HD22 LEU 25 2HD2 LEU 25 -2.059 -3.917 -1.500 168 HD23 LEU 25 3HD2 LEU 25 -1.729 -5.212 -2.652 169 H GLN 26 H GLN 26 2.672 -6.671 -2.998 170 HA GLN 26 HA GLN 26 4.548 -7.827 -1.087 171 HB2 GLN 26 1HB GLN 26 4.503 -8.651 -3.995 172 HB3 GLN 26 2HB GLN 26 5.667 -9.173 -2.784 173 HG2 GLN 26 1HG GLN 26 3.469 -9.979 -1.552 174 HG3 GLN 26 2HG GLN 26 2.857 -10.010 -3.205 175 HE21 GLN 26 1HE2 GLN 26 5.644 -11.059 -1.284 176 HE22 GLN 26 2HE2 GLN 26 5.866 -12.561 -2.108 177 H TRP 27 H TRP 27 6.005 -6.300 -0.735 178 HA TRP 27 HA TRP 27 6.977 -4.729 -3.027 179 HB2 TRP 27 1HB TRP 27 7.184 -2.774 -1.507 180 HB3 TRP 27 2HB TRP 27 5.515 -3.290 -1.736 181 HD1 TRP 27 HD TRP 27 8.275 -3.171 0.915 182 HE1 TRP 27 1HE TRP 27 7.209 -3.546 3.227 183 HE3 TRP 27 3HE TRP 27 3.530 -4.368 -0.564 184 HZ2 TRP 27 2HZ TRP 27 4.690 -4.256 4.285 185 HZ3 TRP 27 3HZ TRP 27 1.852 -4.883 1.161 186 HH2 TRP 27 HH TRP 27 2.422 -4.828 3.534 187 H HIS 28 H HIS 28 9.054 -3.459 -2.233 188 HA HIS 28 HA HIS 28 10.706 -5.159 -0.519 189 HB2 HIS 28 1HB HIS 28 11.168 -4.601 -3.425 190 HB3 HIS 28 2HB HIS 28 12.552 -4.790 -2.352 191 HD1 HIS 28 1HD HIS 28 12.948 -7.147 -1.334 192 HD2 HIS 28 2HD HIS 28 9.774 -6.942 -4.007 193 HE1 HIS 28 1HE HIS 28 12.370 -9.534 -1.876 194 HE2 HIS 28 2HE HIS 28 10.503 -9.383 -3.560 195 HA PRO 29 HA PRO 29 12.394 -1.389 0.958 196 HB2 PRO 29 1HB PRO 29 14.965 -2.089 1.480 197 HB3 PRO 29 2HB PRO 29 13.601 -2.639 2.460 198 HG2 PRO 29 1HG PRO 29 15.071 -4.076 0.284 199 HG3 PRO 29 2HG PRO 29 14.518 -4.689 1.853 200 HD2 PRO 29 1HD PRO 29 13.174 -5.158 -0.451 201 HD3 PRO 29 2HD PRO 29 12.354 -4.987 1.115 202 HA PRO 30 HA PRO 30 14.200 0.663 -2.528 203 HB2 PRO 30 1HB PRO 30 14.758 3.023 -1.309 204 HB3 PRO 30 2HB PRO 30 13.121 2.546 -1.775 205 HG2 PRO 30 1HG PRO 30 14.448 2.394 0.904 206 HG3 PRO 30 2HG PRO 30 12.803 2.918 0.499 207 HD2 PRO 30 1HD PRO 30 13.347 0.452 1.475 208 HD3 PRO 30 2HD PRO 30 12.019 0.756 0.337 209 H LYS 31 H LYS 31 16.219 2.046 -2.954 210 HA LYS 31 HA LYS 31 18.486 0.902 -1.458 211 HB2 LYS 31 1HB LYS 31 18.098 1.444 -4.382 212 HB3 LYS 31 2HB LYS 31 19.719 1.431 -3.700 213 HG2 LYS 31 1HG LYS 31 17.900 -0.868 -3.166 214 HG3 LYS 31 2HG LYS 31 18.690 -0.731 -4.738 215 HD2 LYS 31 1HD LYS 31 20.262 -0.493 -2.196 216 HD3 LYS 31 2HD LYS 31 19.865 -2.074 -2.873 217 HE2 LYS 31 1HE LYS 31 20.960 -1.462 -4.965 218 HE3 LYS 31 2HE LYS 31 21.328 0.136 -4.317 219 HZ1 LYS 31 1HZ LYS 31 23.221 -1.386 -4.185 220 HZ2 LYS 31 2HZ LYS 31 22.327 -2.426 -3.195 221 HZ3 LYS 31 3HZ LYS 31 22.724 -0.875 -2.650 222 H GLU 32 H GLU 32 16.891 3.748 -2.437 223 HA GLU 32 HA GLU 32 19.246 5.421 -1.970 224 HB2 GLU 32 1HB GLU 32 16.471 6.163 -2.913 225 HB3 GLU 32 2HB GLU 32 17.822 7.276 -2.759 226 HG2 GLU 32 1HG GLU 32 19.003 5.567 -4.358 227 HG3 GLU 32 2HG GLU 32 17.343 5.142 -4.771 228 H LEU 33 H LEU 33 17.808 3.916 0.153 229 HA LEU 33 HA LEU 33 16.548 6.000 1.738 230 HB2 LEU 33 1HB LEU 33 15.529 3.829 1.791 231 HB3 LEU 33 2HB LEU 33 17.055 3.075 2.250 232 HG LEU 33 HG LEU 33 15.878 5.115 4.073 233 HD11 LEU 33 1HD1 LEU 33 14.205 3.819 4.885 234 HD12 LEU 33 2HD1 LEU 33 15.002 2.311 4.440 235 HD13 LEU 33 3HD1 LEU 33 14.172 3.264 3.211 236 HD21 LEU 33 1HD2 LEU 33 17.767 2.846 4.179 237 HD22 LEU 33 2HD2 LEU 33 16.757 3.098 5.603 238 HD23 LEU 33 3HD2 LEU 33 17.801 4.396 5.021 239 HA PRO 34 HA PRO 34 20.568 6.973 3.478 240 HB2 PRO 34 1HB PRO 34 19.697 9.122 4.890 241 HB3 PRO 34 2HB PRO 34 20.025 9.182 3.154 242 HG2 PRO 34 1HG PRO 34 17.409 8.884 4.578 243 HG3 PRO 34 2HG PRO 34 17.810 9.888 3.173 244 HD2 PRO 34 1HD PRO 34 16.539 7.508 2.947 245 HD3 PRO 34 2HD PRO 34 17.650 8.119 1.704 246 H GLY 35 H GLY 35 20.801 5.181 4.845 247 HA2 GLY 35 1HA GLY 35 21.228 5.092 7.331 248 HA3 GLY 35 2HA GLY 35 19.513 5.436 7.491 249 H GLU 36 H GLU 36 18.421 3.696 8.088 250 HA GLU 36 HA GLU 36 18.886 1.179 6.679 251 HB2 GLU 36 1HB GLU 36 20.136 0.535 8.478 252 HB3 GLU 36 2HB GLU 36 19.344 1.663 9.569 253 HG2 GLU 36 1HG GLU 36 17.564 0.223 9.967 254 HG3 GLU 36 2HG GLU 36 17.898 -0.740 8.529 255 H LEU 37 H LEU 37 17.100 -0.209 6.630 256 HA LEU 37 HA LEU 37 14.571 1.078 6.742 257 HB2 LEU 37 1HB LEU 37 15.171 -0.714 5.141 258 HB3 LEU 37 2HB LEU 37 15.178 -1.863 6.477 259 HG LEU 37 HG LEU 37 12.701 -1.014 6.780 260 HD11 LEU 37 1HD1 LEU 37 11.627 -0.222 4.893 261 HD12 LEU 37 2HD1 LEU 37 12.912 -0.756 3.809 262 HD13 LEU 37 3HD1 LEU 37 13.160 0.649 4.846 263 HD21 LEU 37 1HD2 LEU 37 13.338 -2.871 4.503 264 HD22 LEU 37 2HD2 LEU 37 11.963 -2.923 5.607 265 HD23 LEU 37 3HD2 LEU 37 13.580 -3.316 6.193 266 H LEU 38 H LEU 38 13.160 1.234 8.358 267 HA LEU 38 HA LEU 38 13.509 -0.533 10.690 268 HB2 LEU 38 1HB LEU 38 12.590 2.338 10.672 269 HB3 LEU 38 2HB LEU 38 12.721 1.306 12.095 270 HG LEU 38 HG LEU 38 15.112 1.966 10.401 271 HD11 LEU 38 1HD1 LEU 38 15.614 3.805 11.876 272 HD12 LEU 38 2HD1 LEU 38 14.138 3.514 12.796 273 HD13 LEU 38 3HD1 LEU 38 14.039 4.069 11.125 274 HD21 LEU 38 1HD2 LEU 38 16.104 1.661 12.801 275 HD22 LEU 38 2HD2 LEU 38 15.705 0.254 11.816 276 HD23 LEU 38 3HD2 LEU 38 14.604 0.780 13.090 277 H GLY 39 H GLY 39 11.303 1.031 8.484 278 HA2 GLY 39 1HA GLY 39 9.307 -0.893 8.714 279 HA3 GLY 39 2HA GLY 39 8.892 0.398 9.832 280 H TYR 40 H TYR 40 7.043 0.088 8.067 281 HA TYR 40 HA TYR 40 7.165 2.469 6.463 282 HB2 TYR 40 1HB TYR 40 6.350 0.889 4.439 283 HB3 TYR 40 2HB TYR 40 8.026 1.378 4.665 284 HD1 TYR 40 1HD TYR 40 6.106 -1.155 6.594 285 HD2 TYR 40 2HD TYR 40 9.221 -0.435 3.786 286 HE1 TYR 40 1HE TYR 40 6.771 -3.519 6.734 287 HE2 TYR 40 2HE TYR 40 9.894 -2.797 3.917 288 HH TYR 40 HH TYR 40 8.888 -4.967 4.525 289 H ARG 41 H ARG 41 5.113 3.099 5.640 290 HA ARG 41 HA ARG 41 2.880 1.738 6.985 291 HB2 ARG 41 1HB ARG 41 3.068 3.985 7.752 292 HB3 ARG 41 2HB ARG 41 3.266 4.599 6.116 293 HG2 ARG 41 1HG ARG 41 0.892 3.657 5.726 294 HG3 ARG 41 2HG ARG 41 0.787 3.650 7.487 295 HD2 ARG 41 1HD ARG 41 1.696 6.101 6.031 296 HD3 ARG 41 2HD ARG 41 -0.023 5.732 6.165 297 HE ARG 41 HE ARG 41 1.149 5.568 8.710 298 HH11 ARG 41 2HH1 ARG 41 0.329 7.926 6.284 299 HH12 ARG 41 1HH1 ARG 41 0.112 9.214 7.422 300 HH21 ARG 41 2HH2 ARG 41 0.867 7.256 10.219 301 HH22 ARG 41 1HH2 ARG 41 0.419 8.832 9.660 302 H LEU 42 H LEU 42 0.925 1.389 5.879 303 HA LEU 42 HA LEU 42 1.154 1.481 2.942 304 HB2 LEU 42 1HB LEU 42 1.115 -0.782 4.289 305 HB3 LEU 42 2HB LEU 42 -0.621 -0.482 4.310 306 HG LEU 42 HG LEU 42 1.154 -0.981 1.934 307 HD11 LEU 42 1HD1 LEU 42 -0.475 -2.769 1.511 308 HD12 LEU 42 2HD1 LEU 42 -1.324 -2.333 2.993 309 HD13 LEU 42 3HD1 LEU 42 0.325 -2.953 3.072 310 HD21 LEU 42 1HD2 LEU 42 -1.482 0.389 2.094 311 HD22 LEU 42 2HD2 LEU 42 -1.187 -0.719 0.754 312 HD23 LEU 42 3HD2 LEU 42 -0.125 0.668 1.001 313 H GLN 43 H GLN 43 -0.428 2.465 1.836 314 HA GLN 43 HA GLN 43 -2.965 3.034 3.197 315 HB2 GLN 43 1HB GLN 43 -1.361 5.066 1.635 316 HB3 GLN 43 2HB GLN 43 -2.947 5.332 2.346 317 HG2 GLN 43 1HG GLN 43 -2.014 5.006 4.573 318 HG3 GLN 43 2HG GLN 43 -0.424 4.716 3.868 319 HE21 GLN 43 1HE2 GLN 43 -2.706 7.050 4.871 320 HE22 GLN 43 2HE2 GLN 43 -1.785 8.457 4.477 321 H TYR 44 H TYR 44 -4.607 2.345 2.010 322 HA TYR 44 HA TYR 44 -4.596 2.712 -0.873 323 HB2 TYR 44 1HB TYR 44 -5.068 0.395 -1.389 324 HB3 TYR 44 2HB TYR 44 -3.549 0.486 -0.505 325 HD1 TYR 44 1HD TYR 44 -7.189 -0.133 0.010 326 HD2 TYR 44 2HD TYR 44 -3.222 -0.861 1.363 327 HE1 TYR 44 1HE TYR 44 -8.050 -1.760 1.642 328 HE2 TYR 44 2HE TYR 44 -4.072 -2.490 2.998 329 HH TYR 44 HH TYR 44 -6.234 -4.003 3.135 330 H CYS 45 H CYS 45 -6.597 3.050 -1.689 331 HA CYS 45 HA CYS 45 -8.960 2.238 -0.222 332 HB2 CYS 45 1HB CYS 45 -9.847 4.640 -0.323 333 HB3 CYS 45 2HB CYS 45 -8.659 4.275 0.923 334 HG CYS 45 HG CYS 45 -8.471 6.403 -1.643 335 H ARG 46 H ARG 46 -10.975 3.202 -1.431 336 HA ARG 46 HA ARG 46 -10.843 2.229 -4.092 337 HB2 ARG 46 1HB ARG 46 -12.944 3.525 -2.406 338 HB3 ARG 46 2HB ARG 46 -13.208 3.396 -4.139 339 HG2 ARG 46 1HG ARG 46 -12.616 0.898 -3.795 340 HG3 ARG 46 2HG ARG 46 -12.973 1.229 -2.099 341 HD2 ARG 46 1HD ARG 46 -15.153 2.287 -3.046 342 HD3 ARG 46 2HD ARG 46 -14.788 1.319 -4.473 343 HE ARG 46 HE ARG 46 -15.432 -0.546 -3.320 344 HH11 ARG 46 2HH1 ARG 46 -14.830 2.030 -1.057 345 HH12 ARG 46 1HH1 ARG 46 -15.428 1.146 0.308 346 HH21 ARG 46 2HH2 ARG 46 -16.221 -1.720 -1.531 347 HH22 ARG 46 1HH2 ARG 46 -16.218 -0.988 0.037 348 H ALA 47 H ALA 47 -11.589 3.486 -6.003 349 HA ALA 47 HA ALA 47 -9.972 5.828 -6.308 350 HB1 ALA 47 1HB ALA 47 -11.440 4.013 -8.036 351 HB2 ALA 47 2HB ALA 47 -11.578 5.696 -8.549 352 HB3 ALA 47 3HB ALA 47 -9.987 4.959 -8.361 353 H ASP 48 H ASP 48 -12.858 5.457 -4.842 354 HA ASP 48 HA ASP 48 -13.736 8.171 -5.582 355 HB2 ASP 48 1HB ASP 48 -15.219 6.115 -6.246 356 HB3 ASP 48 2HB ASP 48 -15.669 6.129 -4.543 357 H GLU 49 H GLU 49 -12.021 6.912 -3.367 358 HA GLU 49 HA GLU 49 -13.525 8.000 -1.080 359 HB2 GLU 49 1HB GLU 49 -11.630 5.722 -1.350 360 HB3 GLU 49 2HB GLU 49 -11.587 6.638 0.150 361 HG2 GLU 49 1HG GLU 49 -14.097 6.268 0.267 362 HG3 GLU 49 2HG GLU 49 -13.869 5.081 -1.016 363 H ALA 50 H ALA 50 -12.545 9.464 0.292 364 HA ALA 50 HA ALA 50 -10.115 10.726 -0.778 365 HB1 ALA 50 1HB ALA 50 -12.530 11.855 -0.181 366 HB2 ALA 50 2HB ALA 50 -11.590 12.199 1.271 367 HB3 ALA 50 3HB ALA 50 -11.001 12.726 -0.306 368 H ARG 51 H ARG 51 -11.241 8.818 1.772 369 HA ARG 51 HA ARG 51 -8.975 9.611 3.478 370 HB2 ARG 51 1HB ARG 51 -11.491 9.653 4.281 371 HB3 ARG 51 2HB ARG 51 -11.219 7.930 4.508 372 HG2 ARG 51 1HG ARG 51 -9.759 8.243 6.231 373 HG3 ARG 51 2HG ARG 51 -9.231 9.821 5.642 374 HD2 ARG 51 1HD ARG 51 -10.480 10.451 7.456 375 HD3 ARG 51 2HD ARG 51 -11.707 10.498 6.191 376 HE ARG 51 HE ARG 51 -11.962 7.997 7.112 377 HH11 ARG 51 2HH1 ARG 51 -11.762 11.061 8.752 378 HH12 ARG 51 1HH1 ARG 51 -12.739 10.556 10.091 379 HH21 ARG 51 2HH2 ARG 51 -13.249 7.320 8.869 380 HH22 ARG 51 1HH2 ARG 51 -13.584 8.427 10.157 381 HA PRO 52 HA PRO 52 -7.546 5.594 1.933 382 HB2 PRO 52 1HB PRO 52 -4.942 6.051 2.548 383 HB3 PRO 52 2HB PRO 52 -5.706 6.671 1.079 384 HG2 PRO 52 1HG PRO 52 -5.162 8.073 3.667 385 HG3 PRO 52 2HG PRO 52 -4.941 8.660 2.008 386 HD2 PRO 52 1HD PRO 52 -7.080 9.342 3.523 387 HD3 PRO 52 2HD PRO 52 -7.175 9.172 1.758 388 H ASN 53 H ASN 53 -6.937 3.720 2.990 389 HA ASN 53 HA ASN 53 -7.259 3.745 5.865 390 HB2 ASN 53 1HB ASN 53 -6.969 1.542 3.825 391 HB3 ASN 53 2HB ASN 53 -7.001 1.220 5.556 392 HD21 ASN 53 1HD2 ASN 53 -8.828 1.909 2.767 393 HD22 ASN 53 2HD2 ASN 53 -10.387 1.936 3.510 394 H THR 54 H THR 54 -5.522 4.382 6.988 395 HA THR 54 HA THR 54 -2.837 3.840 6.129 396 HB THR 54 HB THR 54 -3.702 4.856 8.838 397 HG1 THR 54 1HG THR 54 -2.929 6.536 6.706 398 HG21 THR 54 1HG2 THR 54 -1.496 4.752 9.207 399 HG22 THR 54 2HG2 THR 54 -1.351 6.092 8.069 400 HG23 THR 54 3HG2 THR 54 -1.149 4.433 7.508 401 H ILE 55 H ILE 55 -1.470 2.276 6.793 402 HA ILE 55 HA ILE 55 -2.255 0.559 9.035 403 HB ILE 55 HB ILE 55 -1.394 -0.523 6.349 404 HG12 ILE 55 1HG1 ILE 55 -4.066 -0.954 7.667 405 HG13 ILE 55 2HG1 ILE 55 -3.782 0.426 6.612 406 HG21 ILE 55 1HG2 ILE 55 -2.214 -2.686 7.563 407 HG22 ILE 55 2HG2 ILE 55 -0.588 -2.069 7.848 408 HG23 ILE 55 3HG2 ILE 55 -1.867 -1.759 9.022 409 HD11 ILE 55 1HD1 ILE 55 -4.596 -1.016 5.079 410 HD12 ILE 55 2HD1 ILE 55 -2.902 -1.503 5.006 411 HD13 ILE 55 3HD1 ILE 55 -4.049 -2.441 5.963 412 H ASP 56 H ASP 56 -0.564 -0.358 10.158 413 HA ASP 56 HA ASP 56 2.075 0.752 9.547 414 HB2 ASP 56 1HB ASP 56 0.836 0.863 11.863 415 HB3 ASP 56 2HB ASP 56 1.472 -0.768 12.055 416 H PHE 57 H PHE 57 3.836 -0.476 9.107 417 HA PHE 57 HA PHE 57 3.599 -3.391 9.277 418 HB2 PHE 57 1HB PHE 57 4.169 -1.785 6.801 419 HB3 PHE 57 2HB PHE 57 4.790 -3.424 6.971 420 HD1 PHE 57 1HD PHE 57 3.034 -5.240 7.594 421 HD2 PHE 57 2HD PHE 57 2.071 -1.452 5.910 422 HE1 PHE 57 1HE PHE 57 0.880 -6.138 6.816 423 HE2 PHE 57 2HE PHE 57 -0.085 -2.343 5.130 424 HZ PHE 57 HZ PHE 57 -0.684 -4.689 5.583 425 H GLY 58 H GLY 58 5.487 -4.455 9.726 426 HA2 GLY 58 1HA GLY 58 7.709 -2.769 10.568 427 HA3 GLY 58 2HA GLY 58 7.501 -4.477 10.927 428 H LYS 59 H LYS 59 9.871 -3.100 9.955 429 HA LYS 59 HA LYS 59 10.492 -3.223 7.332 430 HB2 LYS 59 1HB LYS 59 12.780 -3.812 7.958 431 HB3 LYS 59 2HB LYS 59 12.109 -2.633 9.078 432 HG2 LYS 59 1HG LYS 59 11.652 -4.437 10.680 433 HG3 LYS 59 2HG LYS 59 12.376 -5.594 9.561 434 HD2 LYS 59 1HD LYS 59 14.517 -4.619 9.786 435 HD3 LYS 59 2HD LYS 59 13.862 -3.186 10.583 436 HE2 LYS 59 1HE LYS 59 14.811 -4.449 12.314 437 HE3 LYS 59 2HE LYS 59 13.081 -4.774 12.419 438 HZ1 LYS 59 1HZ LYS 59 14.759 -6.720 12.526 439 HZ2 LYS 59 2HZ LYS 59 14.805 -6.562 10.842 440 HZ3 LYS 59 3HZ LYS 59 13.341 -6.899 11.621 441 H ASP 60 H ASP 60 9.670 -5.906 9.350 442 HA ASP 60 HA ASP 60 10.714 -7.926 7.590 443 HB2 ASP 60 1HB ASP 60 9.031 -7.928 10.069 444 HB3 ASP 60 2HB ASP 60 9.122 -9.384 9.081 445 H ASP 61 H ASP 61 7.553 -6.485 8.233 446 HA ASP 61 HA ASP 61 6.049 -8.196 6.570 447 HB2 ASP 61 1HB ASP 61 5.621 -5.541 7.842 448 HB3 ASP 61 2HB ASP 61 4.554 -5.980 6.511 449 H GLN 62 H GLN 62 7.041 -8.477 4.589 450 HA GLN 62 HA GLN 62 7.426 -6.101 2.915 451 HB2 GLN 62 1HB GLN 62 8.467 -8.912 2.799 452 HB3 GLN 62 2HB GLN 62 8.475 -7.906 1.357 453 HG2 GLN 62 1HG GLN 62 9.799 -6.223 2.579 454 HG3 GLN 62 2HG GLN 62 9.850 -7.310 3.966 455 HE21 GLN 62 1HE2 GLN 62 10.855 -6.860 0.644 456 HE22 GLN 62 2HE2 GLN 62 12.167 -7.983 0.686 457 H HIS 63 H HIS 63 5.023 -8.191 3.595 458 HA HIS 63 HA HIS 63 3.625 -7.597 1.147 459 HB2 HIS 63 1HB HIS 63 3.022 -10.148 0.969 460 HB3 HIS 63 2HB HIS 63 4.489 -9.529 0.216 461 HD1 HIS 63 1HD HIS 63 6.526 -10.826 0.729 462 HD2 HIS 63 2HD HIS 63 3.642 -11.252 3.689 463 HE1 HIS 63 1HE HIS 63 7.480 -12.482 2.363 464 HE2 HIS 63 2HE HIS 63 5.682 -12.788 4.100 465 H PHE 64 H PHE 64 1.349 -8.170 1.252 466 HA PHE 64 HA PHE 64 0.338 -8.968 3.868 467 HB2 PHE 64 1HB PHE 64 0.605 -6.445 3.826 468 HB3 PHE 64 2HB PHE 64 -0.632 -6.419 2.573 469 HD1 PHE 64 2HD PHE 64 -0.120 -7.935 5.947 470 HD2 PHE 64 1HD PHE 64 -2.765 -5.964 3.258 471 HE1 PHE 64 2HE PHE 64 -1.867 -7.923 7.680 472 HE2 PHE 64 1HE PHE 64 -4.516 -5.947 4.987 473 HZ PHE 64 HZ PHE 64 -4.068 -6.929 7.201 474 H THR 65 H THR 65 -1.763 -9.783 3.836 475 HA THR 65 HA THR 65 -2.781 -10.382 1.143 476 HB THR 65 HB THR 65 -3.387 -11.829 3.728 477 HG1 THR 65 1HG THR 65 -1.862 -12.949 1.652 478 HG21 THR 65 1HG2 THR 65 -5.051 -12.748 2.560 479 HG22 THR 65 2HG2 THR 65 -3.833 -13.479 1.515 480 HG23 THR 65 3HG2 THR 65 -4.544 -11.924 1.087 481 H VAL 66 H VAL 66 -4.396 -9.100 0.539 482 HA VAL 66 HA VAL 66 -6.297 -8.150 2.573 483 HB VAL 66 HB VAL 66 -5.972 -7.071 -0.225 484 HG11 VAL 66 1HG1 VAL 66 -6.972 -5.030 1.029 485 HG12 VAL 66 2HG1 VAL 66 -8.034 -6.355 0.547 486 HG13 VAL 66 3HG1 VAL 66 -7.480 -6.230 2.217 487 HG21 VAL 66 1HG2 VAL 66 -4.049 -6.150 0.403 488 HG22 VAL 66 2HG2 VAL 66 -4.940 -5.226 1.612 489 HG23 VAL 66 3HG2 VAL 66 -4.225 -6.780 2.041 490 H THR 67 H THR 67 -8.273 -8.981 2.614 491 HA THR 67 HA THR 67 -9.329 -10.233 0.164 492 HB THR 67 HB THR 67 -10.351 -11.984 1.429 493 HG1 THR 67 1HG THR 67 -9.680 -10.345 3.604 494 HG21 THR 67 1HG2 THR 67 -7.462 -11.474 2.005 495 HG22 THR 67 2HG2 THR 67 -8.201 -12.702 0.979 496 HG23 THR 67 3HG2 THR 67 -8.261 -12.866 2.733 497 H GLY 68 H GLY 68 -11.613 -10.171 -0.112 498 HA2 GLY 68 1HA GLY 68 -13.799 -9.462 0.463 499 HA3 GLY 68 2HA GLY 68 -13.111 -8.432 1.709 500 H LEU 69 H LEU 69 -11.328 -8.097 -1.084 501 HA LEU 69 HA LEU 69 -12.110 -5.422 -1.490 502 HB2 LEU 69 1HB LEU 69 -10.578 -7.294 -3.287 503 HB3 LEU 69 2HB LEU 69 -10.720 -5.555 -3.536 504 HG LEU 69 HG LEU 69 -9.448 -6.807 -1.106 505 HD11 LEU 69 1HD1 LEU 69 -7.343 -6.542 -2.080 506 HD12 LEU 69 2HD1 LEU 69 -7.972 -5.541 -3.389 507 HD13 LEU 69 3HD1 LEU 69 -8.320 -7.270 -3.355 508 HD21 LEU 69 1HD2 LEU 69 -10.403 -4.445 -1.022 509 HD22 LEU 69 2HD2 LEU 69 -9.124 -4.012 -2.156 510 HD23 LEU 69 3HD2 LEU 69 -8.713 -4.647 -0.562 511 H HIS 70 H HIS 70 -13.723 -4.560 -2.619 512 HA HIS 70 HA HIS 70 -15.763 -6.069 -3.777 513 HB2 HIS 70 1HB HIS 70 -14.996 -3.172 -3.933 514 HB3 HIS 70 2HB HIS 70 -16.319 -3.790 -4.917 515 HD1 HIS 70 1HD HIS 70 -18.179 -2.579 -3.688 516 HD2 HIS 70 2HD HIS 70 -15.825 -4.923 -1.192 517 HE1 HIS 70 1HE HIS 70 -19.391 -2.642 -1.485 518 HE2 HIS 70 2HE HIS 70 -17.905 -3.995 0.034 519 H LYS 71 H LYS 71 -15.793 -7.204 -5.590 520 HA LYS 71 HA LYS 71 -13.728 -7.118 -7.517 521 HB2 LYS 71 1HB LYS 71 -14.944 -8.787 -8.687 522 HB3 LYS 71 2HB LYS 71 -15.221 -9.088 -6.977 523 HG2 LYS 71 1HG LYS 71 -17.422 -8.489 -7.083 524 HG3 LYS 71 2HG LYS 71 -17.174 -7.396 -8.447 525 HD2 LYS 71 1HD LYS 71 -17.171 -9.133 -9.996 526 HD3 LYS 71 2HD LYS 71 -16.808 -10.353 -8.773 527 HE2 LYS 71 1HE LYS 71 -19.124 -10.516 -9.536 528 HE3 LYS 71 2HE LYS 71 -19.040 -10.083 -7.829 529 HZ1 LYS 71 1HZ LYS 71 -19.504 -7.812 -8.375 530 HZ2 LYS 71 2HZ LYS 71 -20.691 -8.784 -9.086 531 HZ3 LYS 71 3HZ LYS 71 -19.448 -8.137 -10.034 532 H GLY 72 H GLY 72 -13.764 -6.422 -9.684 533 HA2 GLY 72 1HA GLY 72 -14.274 -5.013 -11.425 534 HA3 GLY 72 2HA GLY 72 -15.945 -5.086 -10.885 535 H THR 73 H THR 73 -13.303 -3.946 -8.883 536 HA THR 73 HA THR 73 -14.264 -1.186 -9.217 537 HB THR 73 HB THR 73 -13.706 -2.572 -6.589 538 HG1 THR 73 1HG THR 73 -16.006 -1.718 -7.950 539 HG21 THR 73 1HG2 THR 73 -13.024 -0.550 -5.891 540 HG22 THR 73 2HG2 THR 73 -14.723 -0.090 -6.000 541 HG23 THR 73 3HG2 THR 73 -13.629 0.252 -7.339 542 H THR 74 H THR 74 -12.720 0.382 -9.203 543 HA THR 74 HA THR 74 -9.972 -0.500 -9.429 544 HB THR 74 HB THR 74 -11.021 2.326 -9.634 545 HG1 THR 74 1HG THR 74 -10.962 0.202 -11.494 546 HG21 THR 74 1HG2 THR 74 -8.424 1.342 -9.585 547 HG22 THR 74 2HG2 THR 74 -8.935 2.923 -10.175 548 HG23 THR 74 3HG2 THR 74 -8.767 1.575 -11.299 549 H TYR 75 H TYR 75 -8.306 -0.016 -8.068 550 HA TYR 75 HA TYR 75 -8.942 1.514 -5.636 551 HB2 TYR 75 1HB TYR 75 -7.773 -1.231 -5.877 552 HB3 TYR 75 2HB TYR 75 -7.276 -0.201 -4.539 553 HD1 TYR 75 1HD TYR 75 -9.012 0.631 -2.929 554 HD2 TYR 75 2HD TYR 75 -9.871 -2.326 -5.865 555 HE1 TYR 75 1HE TYR 75 -11.025 -0.020 -1.675 556 HE2 TYR 75 2HE TYR 75 -11.887 -2.985 -4.619 557 HH TYR 75 HH TYR 75 -13.004 -2.769 -2.677 558 H ILE 76 H ILE 76 -6.961 2.220 -4.456 559 HA ILE 76 HA ILE 76 -4.655 2.599 -6.236 560 HB ILE 76 HB ILE 76 -5.765 4.818 -4.524 561 HG12 ILE 76 1HG1 ILE 76 -5.956 4.858 -7.505 562 HG13 ILE 76 2HG1 ILE 76 -7.153 3.937 -6.601 563 HG21 ILE 76 1HG2 ILE 76 -3.356 4.888 -5.048 564 HG22 ILE 76 2HG2 ILE 76 -3.751 4.859 -6.766 565 HG23 ILE 76 3HG2 ILE 76 -4.247 6.227 -5.770 566 HD11 ILE 76 1HD1 ILE 76 -6.555 6.868 -6.277 567 HD12 ILE 76 2HD1 ILE 76 -7.959 6.166 -7.082 568 HD13 ILE 76 3HD1 ILE 76 -7.739 5.951 -5.346 569 H PHE 77 H PHE 77 -3.166 1.416 -5.185 570 HA PHE 77 HA PHE 77 -2.977 1.530 -2.284 571 HB2 PHE 77 1HB PHE 77 -1.611 -0.131 -4.394 572 HB3 PHE 77 2HB PHE 77 -1.071 -0.135 -2.718 573 HD1 PHE 77 1HD PHE 77 -3.737 -1.103 -5.025 574 HD2 PHE 77 2HD PHE 77 -2.397 -1.160 -0.985 575 HE1 PHE 77 1HE PHE 77 -5.435 -2.802 -4.489 576 HE2 PHE 77 2HE PHE 77 -4.092 -2.860 -0.444 577 HZ PHE 77 HZ PHE 77 -5.613 -3.683 -2.197 578 H ARG 78 H ARG 78 -1.191 2.274 -1.145 579 HA ARG 78 HA ARG 78 0.948 3.594 -2.631 580 HB2 ARG 78 1HB ARG 78 -1.050 4.956 -0.875 581 HB3 ARG 78 2HB ARG 78 0.609 5.539 -0.878 582 HG2 ARG 78 1HG ARG 78 0.268 5.504 -3.485 583 HG3 ARG 78 2HG ARG 78 -1.434 5.614 -3.033 584 HD2 ARG 78 1HD ARG 78 -1.040 7.635 -1.805 585 HD3 ARG 78 2HD ARG 78 0.703 7.480 -2.021 586 HE ARG 78 HE ARG 78 -1.217 8.449 -3.955 587 HH11 ARG 78 2HH1 ARG 78 1.997 7.236 -3.393 588 HH12 ARG 78 1HH1 ARG 78 2.651 7.924 -4.843 589 HH21 ARG 78 2HH2 ARG 78 -0.369 9.360 -5.866 590 HH22 ARG 78 1HH2 ARG 78 1.304 9.133 -6.249 591 H LEU 79 H LEU 79 2.874 3.277 -1.708 592 HA LEU 79 HA LEU 79 2.948 2.489 1.129 593 HB2 LEU 79 1HB LEU 79 3.288 0.608 -0.519 594 HB3 LEU 79 2HB LEU 79 4.779 1.414 -1.004 595 HG LEU 79 HG LEU 79 5.548 1.190 1.384 596 HD11 LEU 79 1HD1 LEU 79 3.793 -1.051 1.932 597 HD12 LEU 79 2HD1 LEU 79 2.918 0.477 1.840 598 HD13 LEU 79 3HD1 LEU 79 4.264 0.298 2.966 599 HD21 LEU 79 1HD2 LEU 79 6.692 -0.429 0.374 600 HD22 LEU 79 2HD2 LEU 79 5.338 -0.820 -0.685 601 HD23 LEU 79 3HD2 LEU 79 5.442 -1.547 0.919 602 H ALA 80 H ALA 80 4.980 2.916 2.222 603 HA ALA 80 HA ALA 80 6.818 4.765 0.937 604 HB1 ALA 80 1HB ALA 80 5.247 6.354 1.701 605 HB2 ALA 80 2HB ALA 80 5.078 5.548 3.261 606 HB3 ALA 80 3HB ALA 80 6.576 6.387 2.860 607 H ALA 81 H ALA 81 8.844 4.749 1.828 608 HA ALA 81 HA ALA 81 9.359 2.653 3.775 609 HB1 ALA 81 1HB ALA 81 11.551 4.305 2.636 610 HB2 ALA 81 2HB ALA 81 11.496 2.575 2.975 611 HB3 ALA 81 3HB ALA 81 10.673 3.222 1.556 612 H LYS 82 H LYS 82 10.428 2.949 5.734 613 HA LYS 82 HA LYS 82 10.605 5.732 6.685 614 HB2 LYS 82 1HB LYS 82 8.645 4.273 7.554 615 HB3 LYS 82 2HB LYS 82 9.878 3.448 8.498 616 HG2 LYS 82 1HG LYS 82 10.496 5.894 9.227 617 HG3 LYS 82 2HG LYS 82 8.828 6.218 8.751 618 HD2 LYS 82 1HD LYS 82 9.386 3.875 10.505 619 HD3 LYS 82 2HD LYS 82 9.432 5.492 11.212 620 HE2 LYS 82 1HE LYS 82 7.225 4.875 11.529 621 HE3 LYS 82 2HE LYS 82 7.145 5.798 10.029 622 HZ1 LYS 82 1HZ LYS 82 7.367 3.585 8.869 623 HZ2 LYS 82 2HZ LYS 82 5.899 3.863 9.661 624 HZ3 LYS 82 3HZ LYS 82 7.062 2.859 10.367 625 H ASN 83 H ASN 83 12.572 6.281 7.335 626 HA ASN 83 HA ASN 83 14.414 4.144 8.188 627 HB2 ASN 83 1HB ASN 83 16.250 5.570 7.378 628 HB3 ASN 83 2HB ASN 83 15.116 5.187 6.087 629 HD21 ASN 83 1HD2 ASN 83 16.488 7.146 5.347 630 HD22 ASN 83 2HD2 ASN 83 15.751 8.688 5.600 631 H ARG 84 H ARG 84 16.358 5.301 9.446 632 HA ARG 84 HA ARG 84 15.484 5.911 11.968 633 HB2 ARG 84 1HB ARG 84 17.863 5.408 11.143 634 HB3 ARG 84 2HB ARG 84 17.991 7.135 10.840 635 HG2 ARG 84 1HG ARG 84 17.994 7.669 13.066 636 HG3 ARG 84 2HG ARG 84 17.106 6.215 13.527 637 HD2 ARG 84 1HD ARG 84 18.993 4.892 13.494 638 HD3 ARG 84 2HD ARG 84 19.844 5.953 12.371 639 HE ARG 84 HE ARG 84 19.520 7.420 14.674 640 HH11 ARG 84 2HH1 ARG 84 21.024 4.405 13.798 641 HH12 ARG 84 1HH1 ARG 84 22.246 4.509 15.022 642 HH21 ARG 84 2HH2 ARG 84 21.124 7.569 16.288 643 HH22 ARG 84 1HH2 ARG 84 22.302 6.309 16.438 644 H ALA 85 H ALA 85 15.629 7.990 9.209 645 HA ALA 85 HA ALA 85 15.330 10.419 10.770 646 HB1 ALA 85 1HB ALA 85 16.655 10.294 8.634 647 HB2 ALA 85 2HB ALA 85 15.118 10.141 7.781 648 HB3 ALA 85 3HB ALA 85 15.467 11.595 8.715 649 H GLY 86 H GLY 86 13.355 8.217 8.888 650 HA2 GLY 86 1HA GLY 86 10.981 8.294 9.893 651 HA3 GLY 86 2HA GLY 86 11.014 9.951 9.308 652 H LEU 87 H LEU 87 9.060 9.131 8.153 653 HA LEU 87 HA LEU 87 9.351 7.262 6.028 654 HB2 LEU 87 1HB LEU 87 7.251 9.400 6.319 655 HB3 LEU 87 2HB LEU 87 7.142 7.924 5.363 656 HG LEU 87 HG LEU 87 7.505 7.737 8.323 657 HD11 LEU 87 1HD1 LEU 87 5.465 9.252 7.302 658 HD12 LEU 87 2HD1 LEU 87 5.444 8.413 8.853 659 HD13 LEU 87 3HD1 LEU 87 4.730 7.654 7.430 660 HD21 LEU 87 1HD2 LEU 87 5.714 6.001 6.721 661 HD22 LEU 87 2HD2 LEU 87 6.782 5.597 8.066 662 HD23 LEU 87 3HD2 LEU 87 7.451 5.847 6.452 663 H GLY 88 H GLY 88 9.389 7.645 3.781 664 HA2 GLY 88 1HA GLY 88 10.420 10.318 3.049 665 HA3 GLY 88 2HA GLY 88 11.004 8.825 2.330 666 H GLU 89 H GLU 89 10.465 9.076 0.234 667 HA GLU 89 HA GLU 89 8.179 10.347 -0.749 668 HB2 GLU 89 1HB GLU 89 10.080 8.338 -1.914 669 HB3 GLU 89 2HB GLU 89 8.667 8.856 -2.822 670 HG2 GLU 89 1HG GLU 89 10.991 10.511 -1.899 671 HG3 GLU 89 2HG GLU 89 10.446 10.208 -3.548 672 H GLU 90 H GLU 90 6.612 9.051 -2.274 673 HA GLU 90 HA GLU 90 5.659 6.637 -0.905 674 HB2 GLU 90 1HB GLU 90 3.882 8.943 -1.722 675 HB3 GLU 90 2HB GLU 90 3.355 7.437 -0.983 676 HG2 GLU 90 1HG GLU 90 5.066 8.192 0.892 677 HG3 GLU 90 2HG GLU 90 4.695 9.784 0.231 678 H PHE 91 H PHE 91 4.962 5.060 -2.232 679 HA PHE 91 HA PHE 91 5.179 5.529 -5.096 680 HB2 PHE 91 1HB PHE 91 6.252 3.553 -3.917 681 HB3 PHE 91 2HB PHE 91 4.629 2.903 -3.714 682 HD1 PHE 91 2HD PHE 91 3.337 2.158 -5.649 683 HD2 PHE 91 1HD PHE 91 7.343 3.542 -6.045 684 HE1 PHE 91 2HE PHE 91 3.461 1.149 -7.889 685 HE2 PHE 91 1HE PHE 91 7.473 2.536 -8.287 686 HZ PHE 91 HZ PHE 91 5.531 1.336 -9.211 687 H GLU 92 H GLU 92 3.552 4.942 -6.594 688 HA GLU 92 HA GLU 92 0.848 4.703 -5.455 689 HB2 GLU 92 1HB GLU 92 1.551 7.018 -6.410 690 HB3 GLU 92 2HB GLU 92 1.364 6.244 -7.977 691 HG2 GLU 92 1HG GLU 92 -0.970 5.557 -7.037 692 HG3 GLU 92 2HG GLU 92 -0.696 6.902 -5.930 693 H LYS 93 H LYS 93 -0.564 3.362 -6.507 694 HA LYS 93 HA LYS 93 0.138 2.221 -9.080 695 HB2 LYS 93 1HB LYS 93 1.287 0.570 -7.979 696 HB3 LYS 93 2HB LYS 93 0.331 0.732 -6.512 697 HG2 LYS 93 1HG LYS 93 -0.079 -1.409 -7.552 698 HG3 LYS 93 2HG LYS 93 -1.536 -0.414 -7.612 699 HD2 LYS 93 1HD LYS 93 -1.524 -1.146 -9.768 700 HD3 LYS 93 2HD LYS 93 -0.492 0.272 -9.962 701 HE2 LYS 93 1HE LYS 93 0.804 -2.293 -9.218 702 HE3 LYS 93 2HE LYS 93 0.205 -2.127 -10.867 703 HZ1 LYS 93 1HZ LYS 93 2.568 -1.440 -10.503 704 HZ2 LYS 93 2HZ LYS 93 1.992 -0.137 -9.591 705 HZ3 LYS 93 3HZ LYS 93 1.590 -0.266 -11.229 706 H GLU 94 H GLU 94 -1.636 1.802 -10.249 707 HA GLU 94 HA GLU 94 -4.224 1.811 -8.842 708 HB2 GLU 94 1HB GLU 94 -3.786 3.716 -10.405 709 HB3 GLU 94 2HB GLU 94 -3.696 2.555 -11.722 710 HG2 GLU 94 1HG GLU 94 -5.950 2.107 -11.667 711 HG3 GLU 94 2HG GLU 94 -6.119 2.621 -9.989 712 H ILE 95 H ILE 95 -5.421 0.029 -8.924 713 HA ILE 95 HA ILE 95 -4.971 -1.885 -11.111 714 HB ILE 95 HB ILE 95 -5.086 -3.759 -9.621 715 HG12 ILE 95 1HG1 ILE 95 -6.676 -2.834 -7.996 716 HG13 ILE 95 2HG1 ILE 95 -5.260 -3.495 -7.185 717 HG21 ILE 95 1HG2 ILE 95 -3.070 -3.318 -8.175 718 HG22 ILE 95 2HG2 ILE 95 -2.877 -2.947 -9.887 719 HG23 ILE 95 3HG2 ILE 95 -3.141 -1.645 -8.727 720 HD11 ILE 95 1HD1 ILE 95 -6.219 -0.715 -7.370 721 HD12 ILE 95 2HD1 ILE 95 -5.397 -1.554 -6.054 722 HD13 ILE 95 3HD1 ILE 95 -4.473 -0.954 -7.431 723 H ARG 96 H ARG 96 -6.791 -3.745 -10.696 724 HA ARG 96 HA ARG 96 -9.338 -2.655 -9.902 725 HB2 ARG 96 1HB ARG 96 -9.010 -1.727 -12.192 726 HB3 ARG 96 2HB ARG 96 -8.905 -3.371 -12.806 727 HG2 ARG 96 1HG ARG 96 -11.218 -3.715 -11.781 728 HG3 ARG 96 2HG ARG 96 -11.277 -1.956 -11.644 729 HD2 ARG 96 1HD ARG 96 -10.539 -2.097 -14.179 730 HD3 ARG 96 2HD ARG 96 -11.300 -3.684 -14.065 731 HE ARG 96 HE ARG 96 -13.019 -1.726 -12.992 732 HH11 ARG 96 2HH1 ARG 96 -11.742 -2.837 -16.034 733 HH12 ARG 96 1HH1 ARG 96 -13.114 -2.309 -16.951 734 HH21 ARG 96 2HH2 ARG 96 -14.831 -1.027 -14.188 735 HH22 ARG 96 1HH2 ARG 96 -14.870 -1.279 -15.900 736 H THR 97 H THR 97 -10.339 -4.271 -8.920 737 HA THR 97 HA THR 97 -9.498 -6.944 -9.014 738 HB THR 97 HB THR 97 -11.751 -7.422 -7.912 739 HG1 THR 97 1HG THR 97 -11.946 -4.603 -7.715 740 HG21 THR 97 1HG2 THR 97 -9.969 -7.189 -6.431 741 HG22 THR 97 2HG2 THR 97 -11.106 -5.964 -5.869 742 HG23 THR 97 3HG2 THR 97 -9.716 -5.495 -6.847 743 HA PRO 98 HA PRO 98 -11.403 -8.504 -12.667 744 HB2 PRO 98 1HB PRO 98 -11.478 -11.137 -12.011 745 HB3 PRO 98 2HB PRO 98 -9.986 -10.300 -12.455 746 HG2 PRO 98 1HG PRO 98 -11.040 -10.978 -9.736 747 HG3 PRO 98 2HG PRO 98 -9.386 -11.114 -10.361 748 HD2 PRO 98 1HD PRO 98 -10.186 -9.057 -8.792 749 HD3 PRO 98 2HD PRO 98 -8.951 -8.871 -10.054 750 H GLU 99 H GLU 99 -13.444 -8.749 -13.372 751 HA GLU 99 HA GLU 99 -15.599 -8.756 -11.487 752 HB2 GLU 99 1HB GLU 99 -15.692 -8.996 -14.499 753 HB3 GLU 99 2HB GLU 99 -17.050 -8.617 -13.449 754 HG2 GLU 99 1HG GLU 99 -15.475 -6.640 -12.703 755 HG3 GLU 99 2HG GLU 99 -14.770 -6.916 -14.294 756 H ASP 100 H ASP 100 -17.385 -10.276 -11.511 757 HA ASP 100 HA ASP 100 -16.774 -12.942 -12.543 758 HB2 ASP 100 1HB ASP 100 -17.424 -12.379 -9.641 759 HB3 ASP 100 2HB ASP 100 -17.323 -13.982 -10.364 760 H LEU 101 H LEU 101 -18.634 -14.386 -12.515 761 HA LEU 101 HA LEU 101 -21.128 -12.877 -12.831 762 HB2 LEU 101 1HB LEU 101 -20.355 -14.163 -14.760 763 HB3 LEU 101 2HB LEU 101 -20.372 -15.634 -13.791 764 HG LEU 101 HG LEU 101 -22.844 -15.352 -13.547 765 HD11 LEU 101 1HD1 LEU 101 -22.575 -13.328 -15.755 766 HD12 LEU 101 2HD1 LEU 101 -22.789 -12.889 -14.061 767 HD13 LEU 101 3HD1 LEU 101 -24.036 -13.815 -14.896 768 HD21 LEU 101 1HD2 LEU 101 -21.422 -16.541 -15.511 769 HD22 LEU 101 2HD2 LEU 101 -22.429 -15.446 -16.460 770 HD23 LEU 101 3HD2 LEU 101 -23.179 -16.620 -15.378 771 H SER 102 H SER 102 -22.429 -12.892 -11.127 772 HA SER 102 HA SER 102 -22.264 -14.510 -8.900 773 HB2 SER 102 1HB SER 102 -24.532 -12.934 -10.088 774 HB3 SER 102 2HB SER 102 -24.774 -13.891 -8.627 775 HG SER 102 HG SER 102 -22.922 -12.708 -7.765 776 H GLY 103 H GLY 103 -22.305 -16.665 -8.891 777 HA2 GLY 103 1HA GLY 103 -24.380 -18.309 -9.027 778 HA3 GLY 103 2HA GLY 103 -24.046 -18.103 -10.740 779 HA PRO 104 HA PRO 104 -21.368 -21.471 -8.700 780 HB2 PRO 104 1HB PRO 104 -22.663 -23.649 -9.674 781 HB3 PRO 104 2HB PRO 104 -23.061 -22.911 -8.118 782 HG2 PRO 104 1HG PRO 104 -24.418 -22.594 -10.767 783 HG3 PRO 104 2HG PRO 104 -25.137 -22.805 -9.159 784 HD2 PRO 104 1HD PRO 104 -24.952 -20.388 -10.368 785 HD3 PRO 104 2HD PRO 104 -24.857 -20.585 -8.606 786 H SER 105 H SER 105 -19.851 -20.639 -10.231 787 HA SER 105 HA SER 105 -20.040 -21.604 -12.976 788 HB2 SER 105 1HB SER 105 -17.898 -19.877 -11.714 789 HB3 SER 105 2HB SER 105 -18.149 -20.155 -13.437 790 HG SER 105 HG SER 105 -19.371 -18.389 -11.777 791 H SER 106 H SER 106 -19.050 -23.376 -13.669 792 HA SER 106 HA SER 106 -16.687 -24.355 -12.231 793 HB2 SER 106 1HB SER 106 -17.587 -26.695 -12.483 794 HB3 SER 106 2HB SER 106 -18.476 -25.689 -11.340 795 HG SER 106 HG SER 106 -19.325 -25.726 -14.001 796 H GLY 107 H GLY 107 -15.067 -24.513 -13.624 797 HA2 GLY 107 1HA GLY 107 -15.254 -24.245 -16.381 798 HA3 GLY 107 2HA GLY 107 -13.879 -24.946 -15.540 Start of MODEL 3 1 H1 GLY 1 H GLY 1 24.125 17.820 10.940 2 HA2 GLY 1 1HA GLY 1 22.451 16.512 9.372 3 HA3 GLY 1 2HA GLY 1 21.325 17.050 10.608 4 H SER 2 H SER 2 22.789 17.822 7.696 5 HA SER 2 HA SER 2 22.181 20.684 8.017 6 HB2 SER 2 1HB SER 2 24.532 19.889 7.297 7 HB3 SER 2 2HB SER 2 23.780 19.523 5.744 8 HG SER 2 HG SER 2 23.353 22.044 6.883 9 H SER 3 H SER 3 20.134 18.745 7.594 10 HA SER 3 HA SER 3 18.405 18.183 6.200 11 HB2 SER 3 1HB SER 3 17.171 20.032 5.560 12 HB3 SER 3 2HB SER 3 18.277 20.770 6.719 13 HG SER 3 HG SER 3 19.623 21.007 4.633 14 H GLY 4 H GLY 4 20.842 17.342 5.140 15 HA2 GLY 4 1HA GLY 4 20.996 18.130 2.364 16 HA3 GLY 4 2HA GLY 4 21.965 16.896 3.156 17 H SER 5 H SER 5 20.072 15.175 4.115 18 HA SER 5 HA SER 5 19.077 14.018 1.626 19 HB2 SER 5 1HB SER 5 19.216 12.802 4.396 20 HB3 SER 5 2HB SER 5 18.830 11.949 2.901 21 HG SER 5 HG SER 5 20.890 12.075 2.272 22 H SER 6 H SER 6 16.991 13.935 1.092 23 HA SER 6 HA SER 6 15.039 14.965 3.023 24 HB2 SER 6 1HB SER 6 13.575 15.259 1.018 25 HB3 SER 6 2HB SER 6 15.082 16.170 0.925 26 HG SER 6 HG SER 6 14.260 13.920 -0.519 27 H GLY 7 H GLY 7 15.164 12.816 4.106 28 HA2 GLY 7 1HA GLY 7 14.271 10.756 4.586 29 HA3 GLY 7 2HA GLY 7 12.887 11.298 3.649 30 HA PRO 8 HA PRO 8 15.163 7.696 1.580 31 HB2 PRO 8 1HB PRO 8 13.239 5.815 1.938 32 HB3 PRO 8 2HB PRO 8 14.542 6.089 3.100 33 HG2 PRO 8 1HG PRO 8 11.711 7.059 3.166 34 HG3 PRO 8 2HG PRO 8 12.697 6.393 4.481 35 HD2 PRO 8 1HD PRO 8 12.288 9.052 4.168 36 HD3 PRO 8 2HD PRO 8 13.793 8.389 4.838 37 H GLY 9 H GLY 9 14.229 6.349 -0.260 38 HA2 GLY 9 1HA GLY 9 12.606 8.111 -1.902 39 HA3 GLY 9 2HA GLY 9 13.436 6.656 -2.435 40 H ARG 10 H ARG 10 11.366 6.338 -3.594 41 HA ARG 10 HA ARG 10 9.142 5.470 -1.917 42 HB2 ARG 10 1HB ARG 10 7.918 5.255 -4.060 43 HB3 ARG 10 2HB ARG 10 8.573 6.867 -3.808 44 HG2 ARG 10 1HG ARG 10 10.448 6.320 -5.298 45 HG3 ARG 10 2HG ARG 10 9.739 4.728 -5.578 46 HD2 ARG 10 1HD ARG 10 7.766 5.747 -6.550 47 HD3 ARG 10 2HD ARG 10 8.393 7.356 -6.192 48 HE ARG 10 HE ARG 10 10.205 5.876 -7.805 49 HH11 ARG 10 2HH1 ARG 10 7.227 7.676 -7.911 50 HH12 ARG 10 1HH1 ARG 10 7.404 8.123 -9.576 51 HH21 ARG 10 2HH2 ARG 10 10.449 6.457 -9.997 52 HH22 ARG 10 1HH2 ARG 10 9.237 7.428 -10.762 53 HA PRO 11 HA PRO 11 10.458 1.243 -2.164 54 HB2 PRO 11 1HB PRO 11 8.216 0.148 -1.095 55 HB3 PRO 11 2HB PRO 11 9.437 0.977 -0.123 56 HG2 PRO 11 1HG PRO 11 6.819 2.002 -1.152 57 HG3 PRO 11 2HG PRO 11 7.555 2.217 0.447 58 HD2 PRO 11 1HD PRO 11 7.638 4.133 -1.464 59 HD3 PRO 11 2HD PRO 11 8.940 3.910 -0.279 60 H THR 12 H THR 12 9.979 -0.643 -3.341 61 HA THR 12 HA THR 12 8.299 -0.180 -5.671 62 HB THR 12 HB THR 12 10.171 -2.471 -5.043 63 HG1 THR 12 1HG THR 12 11.550 -1.399 -6.493 64 HG21 THR 12 1HG2 THR 12 9.029 -3.509 -6.675 65 HG22 THR 12 2HG2 THR 12 9.848 -2.388 -7.763 66 HG23 THR 12 3HG2 THR 12 8.224 -2.024 -7.181 67 H MET 13 H MET 13 6.192 -0.545 -5.244 68 HA MET 13 HA MET 13 5.424 -2.904 -3.701 69 HB2 MET 13 1HB MET 13 4.400 -0.665 -3.230 70 HB3 MET 13 2HB MET 13 3.651 -0.729 -4.820 71 HG2 MET 13 1HG MET 13 2.233 -2.469 -4.220 72 HG3 MET 13 2HG MET 13 3.218 -2.917 -2.830 73 HE1 MET 13 1HE MET 13 2.107 0.446 -4.158 74 HE2 MET 13 2HE MET 13 0.449 -0.150 -4.077 75 HE3 MET 13 3HE MET 13 0.996 1.090 -2.948 76 H MET 14 H MET 14 4.213 -4.581 -4.514 77 HA MET 14 HA MET 14 3.567 -4.525 -7.376 78 HB2 MET 14 1HB MET 14 4.901 -6.859 -5.997 79 HB3 MET 14 2HB MET 14 4.469 -6.751 -7.698 80 HG2 MET 14 1HG MET 14 6.047 -4.793 -7.851 81 HG3 MET 14 2HG MET 14 6.597 -5.223 -6.233 82 HE1 MET 14 1HE MET 14 8.742 -5.747 -6.296 83 HE2 MET 14 2HE MET 14 8.443 -7.430 -5.863 84 HE3 MET 14 3HE MET 14 9.565 -7.041 -7.168 85 H ILE 15 H ILE 15 1.413 -4.661 -7.374 86 HA ILE 15 HA ILE 15 0.074 -6.392 -5.433 87 HB ILE 15 HB ILE 15 -1.178 -4.489 -7.415 88 HG12 ILE 15 1HG1 ILE 15 -0.970 -3.927 -4.483 89 HG13 ILE 15 2HG1 ILE 15 0.416 -3.595 -5.516 90 HG21 ILE 15 1HG2 ILE 15 -2.289 -5.875 -4.978 91 HG22 ILE 15 2HG2 ILE 15 -3.144 -4.678 -5.949 92 HG23 ILE 15 3HG2 ILE 15 -2.690 -6.227 -6.659 93 HD11 ILE 15 1HD1 ILE 15 -0.618 -1.575 -5.580 94 HD12 ILE 15 2HD1 ILE 15 -1.408 -2.348 -6.955 95 HD13 ILE 15 3HD1 ILE 15 -2.229 -2.266 -5.396 96 H SER 16 H SER 16 -0.828 -8.283 -5.957 97 HA SER 16 HA SER 16 -1.402 -8.881 -8.764 98 HB2 SER 16 1HB SER 16 0.535 -10.336 -7.003 99 HB3 SER 16 2HB SER 16 -0.394 -11.248 -8.193 100 HG SER 16 HG SER 16 1.792 -10.105 -8.707 101 H THR 17 H THR 17 -3.335 -9.787 -8.985 102 HA THR 17 HA THR 17 -4.808 -10.595 -6.622 103 HB THR 17 HB THR 17 -6.723 -10.860 -8.198 104 HG1 THR 17 1HG THR 17 -5.005 -11.129 -10.023 105 HG21 THR 17 1HG2 THR 17 -5.321 -8.430 -7.519 106 HG22 THR 17 2HG2 THR 17 -7.055 -8.745 -7.571 107 HG23 THR 17 3HG2 THR 17 -6.205 -8.243 -9.032 108 H THR 18 H THR 18 -4.922 -12.617 -5.923 109 HA THR 18 HA THR 18 -4.237 -14.794 -7.779 110 HB THR 18 HB THR 18 -3.854 -16.149 -5.703 111 HG1 THR 18 1HG THR 18 -4.419 -15.294 -3.861 112 HG21 THR 18 1HG2 THR 18 -1.703 -15.104 -5.151 113 HG22 THR 18 2HG2 THR 18 -2.212 -13.628 -5.971 114 HG23 THR 18 3HG2 THR 18 -1.986 -15.115 -6.891 115 H ALA 19 H ALA 19 -6.097 -14.734 -4.751 116 HA ALA 19 HA ALA 19 -8.022 -16.579 -5.848 117 HB1 ALA 19 1HB ALA 19 -7.094 -16.353 -3.393 118 HB2 ALA 19 2HB ALA 19 -8.456 -15.244 -3.226 119 HB3 ALA 19 3HB ALA 19 -8.735 -16.918 -3.703 120 H MET 20 H MET 20 -10.429 -16.012 -5.114 121 HA MET 20 HA MET 20 -11.206 -13.815 -6.772 122 HB2 MET 20 1HB MET 20 -12.418 -16.104 -6.226 123 HB3 MET 20 2HB MET 20 -13.141 -15.154 -4.935 124 HG2 MET 20 1HG MET 20 -14.028 -13.581 -6.539 125 HG3 MET 20 2HG MET 20 -13.225 -14.435 -7.855 126 HE1 MET 20 1HE MET 20 -13.351 -16.882 -8.000 127 HE2 MET 20 2HE MET 20 -14.460 -17.895 -7.075 128 HE3 MET 20 3HE MET 20 -14.906 -17.346 -8.692 129 H ASN 21 H ASN 21 -11.498 -11.765 -6.203 130 HA ASN 21 HA ASN 21 -11.797 -9.882 -4.963 131 HB2 ASN 21 1HB ASN 21 -12.938 -11.561 -2.742 132 HB3 ASN 21 2HB ASN 21 -13.358 -9.914 -3.204 133 HD21 ASN 21 1HD2 ASN 21 -14.039 -9.870 -5.666 134 HD22 ASN 21 2HD2 ASN 21 -15.270 -11.015 -6.066 135 H THR 22 H THR 22 -9.364 -11.479 -4.729 136 HA THR 22 HA THR 22 -8.429 -10.419 -2.150 137 HB THR 22 HB THR 22 -7.077 -12.351 -1.720 138 HG1 THR 22 1HG THR 22 -7.820 -13.037 -4.345 139 HG21 THR 22 1HG2 THR 22 -9.751 -13.449 -2.566 140 HG22 THR 22 2HG2 THR 22 -9.550 -12.414 -1.153 141 HG23 THR 22 3HG2 THR 22 -8.731 -13.973 -1.227 142 H ALA 23 H ALA 23 -6.673 -9.181 -2.314 143 HA ALA 23 HA ALA 23 -5.056 -9.378 -4.772 144 HB1 ALA 23 1HB ALA 23 -6.476 -7.318 -4.585 145 HB2 ALA 23 2HB ALA 23 -5.505 -6.859 -3.185 146 HB3 ALA 23 3HB ALA 23 -4.747 -7.020 -4.769 147 H LEU 24 H LEU 24 -3.134 -10.222 -4.323 148 HA LEU 24 HA LEU 24 -2.012 -10.153 -1.682 149 HB2 LEU 24 1HB LEU 24 -1.776 -12.067 -3.253 150 HB3 LEU 24 2HB LEU 24 -0.735 -11.059 -4.258 151 HG LEU 24 HG LEU 24 0.895 -10.933 -2.430 152 HD11 LEU 24 1HD1 LEU 24 0.316 -11.390 -0.342 153 HD12 LEU 24 2HD1 LEU 24 0.008 -13.067 -0.789 154 HD13 LEU 24 3HD1 LEU 24 -1.290 -11.877 -0.883 155 HD21 LEU 24 1HD2 LEU 24 1.470 -12.619 -3.884 156 HD22 LEU 24 2HD2 LEU 24 0.023 -13.565 -3.534 157 HD23 LEU 24 3HD2 LEU 24 1.344 -13.506 -2.365 158 H LEU 25 H LEU 25 -0.517 -8.808 -0.875 159 HA LEU 25 HA LEU 25 0.568 -6.749 -2.676 160 HB2 LEU 25 1HB LEU 25 0.249 -6.643 0.319 161 HB3 LEU 25 2HB LEU 25 0.788 -5.330 -0.725 162 HG LEU 25 HG LEU 25 -1.967 -6.557 -0.802 163 HD11 LEU 25 1HD1 LEU 25 -2.520 -5.290 0.928 164 HD12 LEU 25 2HD1 LEU 25 -1.961 -3.854 0.071 165 HD13 LEU 25 3HD1 LEU 25 -0.843 -4.767 1.085 166 HD21 LEU 25 1HD2 LEU 25 -2.523 -4.616 -2.165 167 HD22 LEU 25 2HD2 LEU 25 -1.240 -5.565 -2.917 168 HD23 LEU 25 3HD2 LEU 25 -0.851 -4.062 -2.079 169 H GLN 26 H GLN 26 2.688 -6.695 -3.035 170 HA GLN 26 HA GLN 26 4.531 -7.780 -1.049 171 HB2 GLN 26 1HB GLN 26 4.304 -8.750 -3.893 172 HB3 GLN 26 2HB GLN 26 5.767 -8.964 -2.940 173 HG2 GLN 26 1HG GLN 26 4.796 -10.492 -1.534 174 HG3 GLN 26 2HG GLN 26 3.166 -9.886 -1.825 175 HE21 GLN 26 1HE2 GLN 26 4.591 -12.581 -2.051 176 HE22 GLN 26 2HE2 GLN 26 4.095 -13.171 -3.597 177 H TRP 27 H TRP 27 5.956 -6.226 -0.680 178 HA TRP 27 HA TRP 27 6.950 -4.659 -2.966 179 HB2 TRP 27 1HB TRP 27 7.103 -2.693 -1.462 180 HB3 TRP 27 2HB TRP 27 5.445 -3.243 -1.691 181 HD1 TRP 27 HD TRP 27 8.199 -3.064 0.965 182 HE1 TRP 27 1HE TRP 27 7.132 -3.435 3.278 183 HE3 TRP 27 3HE TRP 27 3.471 -4.329 -0.515 184 HZ2 TRP 27 2HZ TRP 27 4.619 -4.168 4.335 185 HZ3 TRP 27 3HZ TRP 27 1.796 -4.851 1.209 186 HH2 TRP 27 HH TRP 27 2.360 -4.772 3.584 187 H HIS 28 H HIS 28 9.034 -3.448 -2.297 188 HA HIS 28 HA HIS 28 10.679 -5.122 -0.531 189 HB2 HIS 28 1HB HIS 28 11.154 -4.464 -3.411 190 HB3 HIS 28 2HB HIS 28 12.536 -4.640 -2.334 191 HD1 HIS 28 1HD HIS 28 12.787 -7.027 -1.164 192 HD2 HIS 28 2HD HIS 28 10.047 -6.814 -4.281 193 HE1 HIS 28 1HE HIS 28 12.340 -9.410 -1.830 194 HE2 HIS 28 2HE HIS 28 10.745 -9.253 -3.773 195 HA PRO 29 HA PRO 29 12.251 -1.366 1.103 196 HB2 PRO 29 1HB PRO 29 14.815 -2.046 1.681 197 HB3 PRO 29 2HB PRO 29 13.431 -2.641 2.606 198 HG2 PRO 29 1HG PRO 29 14.984 -3.998 0.436 199 HG3 PRO 29 2HG PRO 29 14.393 -4.661 1.971 200 HD2 PRO 29 1HD PRO 29 13.124 -5.084 -0.383 201 HD3 PRO 29 2HD PRO 29 12.257 -4.967 1.161 202 HA PRO 30 HA PRO 30 14.124 0.796 -2.281 203 HB2 PRO 30 1HB PRO 30 14.585 3.141 -0.994 204 HB3 PRO 30 2HB PRO 30 12.977 2.639 -1.528 205 HG2 PRO 30 1HG PRO 30 14.211 2.458 1.193 206 HG3 PRO 30 2HG PRO 30 12.570 2.955 0.739 207 HD2 PRO 30 1HD PRO 30 13.135 0.481 1.684 208 HD3 PRO 30 2HD PRO 30 11.842 0.781 0.505 209 H LYS 31 H LYS 31 16.148 1.783 -2.876 210 HA LYS 31 HA LYS 31 18.372 0.844 -1.201 211 HB2 LYS 31 1HB LYS 31 18.260 -0.071 -3.487 212 HB3 LYS 31 2HB LYS 31 18.340 1.561 -4.139 213 HG2 LYS 31 1HG LYS 31 20.511 0.723 -4.336 214 HG3 LYS 31 2HG LYS 31 20.560 1.772 -2.917 215 HD2 LYS 31 1HD LYS 31 20.721 0.000 -1.448 216 HD3 LYS 31 2HD LYS 31 19.975 -1.136 -2.574 217 HE2 LYS 31 1HE LYS 31 22.671 0.099 -3.069 218 HE3 LYS 31 2HE LYS 31 22.470 -1.398 -2.160 219 HZ1 LYS 31 1HZ LYS 31 22.899 -1.469 -4.702 220 HZ2 LYS 31 2HZ LYS 31 21.242 -1.151 -4.819 221 HZ3 LYS 31 3HZ LYS 31 21.783 -2.536 -4.012 222 H GLU 32 H GLU 32 16.831 3.658 -2.395 223 HA GLU 32 HA GLU 32 19.155 5.361 -2.021 224 HB2 GLU 32 1HB GLU 32 16.334 6.263 -2.575 225 HB3 GLU 32 2HB GLU 32 17.829 7.133 -2.887 226 HG2 GLU 32 1HG GLU 32 17.388 4.528 -4.248 227 HG3 GLU 32 2HG GLU 32 16.507 5.945 -4.816 228 H LEU 33 H LEU 33 17.567 3.838 0.156 229 HA LEU 33 HA LEU 33 16.612 5.986 1.841 230 HB2 LEU 33 1HB LEU 33 15.441 3.890 1.908 231 HB3 LEU 33 2HB LEU 33 16.926 3.026 2.300 232 HG LEU 33 HG LEU 33 15.940 5.123 4.178 233 HD11 LEU 33 1HD1 LEU 33 13.924 3.956 3.908 234 HD12 LEU 33 2HD1 LEU 33 14.676 3.242 5.334 235 HD13 LEU 33 3HD1 LEU 33 14.741 2.398 3.787 236 HD21 LEU 33 1HD2 LEU 33 17.472 2.543 4.407 237 HD22 LEU 33 2HD2 LEU 33 16.883 3.445 5.803 238 HD23 LEU 33 3HD2 LEU 33 18.051 4.182 4.705 239 HA PRO 34 HA PRO 34 20.722 6.676 3.461 240 HB2 PRO 34 1HB PRO 34 20.009 8.728 5.089 241 HB3 PRO 34 2HB PRO 34 20.233 8.918 3.346 242 HG2 PRO 34 1HG PRO 34 17.699 8.580 4.904 243 HG3 PRO 34 2HG PRO 34 18.047 9.682 3.559 244 HD2 PRO 34 1HD PRO 34 16.688 7.363 3.228 245 HD3 PRO 34 2HD PRO 34 17.741 8.041 1.970 246 H GLY 35 H GLY 35 20.983 4.777 4.668 247 HA2 GLY 35 1HA GLY 35 21.567 4.439 7.084 248 HA3 GLY 35 2HA GLY 35 19.899 4.882 7.415 249 H GLU 36 H GLU 36 18.550 3.252 7.741 250 HA GLU 36 HA GLU 36 18.796 0.806 6.195 251 HB2 GLU 36 1HB GLU 36 18.999 -0.676 8.044 252 HB3 GLU 36 2HB GLU 36 20.257 0.537 8.234 253 HG2 GLU 36 1HG GLU 36 17.638 0.945 9.588 254 HG3 GLU 36 2HG GLU 36 18.789 -0.208 10.262 255 H LEU 37 H LEU 37 16.922 -0.543 6.316 256 HA LEU 37 HA LEU 37 14.501 0.934 6.566 257 HB2 LEU 37 1HB LEU 37 14.787 -0.821 4.899 258 HB3 LEU 37 2HB LEU 37 14.962 -2.021 6.178 259 HG LEU 37 HG LEU 37 12.545 -1.114 6.824 260 HD11 LEU 37 1HD1 LEU 37 11.998 -1.065 3.974 261 HD12 LEU 37 2HD1 LEU 37 12.997 0.292 4.493 262 HD13 LEU 37 3HD1 LEU 37 11.433 0.007 5.256 263 HD21 LEU 37 1HD2 LEU 37 13.326 -3.439 6.179 264 HD22 LEU 37 2HD2 LEU 37 12.872 -3.026 4.526 265 HD23 LEU 37 3HD2 LEU 37 11.650 -3.039 5.799 266 H LEU 38 H LEU 38 13.199 1.167 8.262 267 HA LEU 38 HA LEU 38 13.558 -0.647 10.557 268 HB2 LEU 38 1HB LEU 38 12.835 2.279 10.616 269 HB3 LEU 38 2HB LEU 38 12.984 1.224 12.020 270 HG LEU 38 HG LEU 38 15.337 1.613 10.221 271 HD11 LEU 38 1HD1 LEU 38 15.832 3.458 12.096 272 HD12 LEU 38 2HD1 LEU 38 14.085 3.655 11.950 273 HD13 LEU 38 3HD1 LEU 38 15.115 3.840 10.530 274 HD21 LEU 38 1HD2 LEU 38 16.030 1.641 12.924 275 HD22 LEU 38 2HD2 LEU 38 16.214 0.304 11.787 276 HD23 LEU 38 3HD2 LEU 38 14.761 0.424 12.782 277 H GLY 39 H GLY 39 11.372 0.925 8.389 278 HA2 GLY 39 1HA GLY 39 9.258 -0.817 8.826 279 HA3 GLY 39 2HA GLY 39 8.981 0.562 9.880 280 H TYR 40 H TYR 40 7.057 0.212 8.156 281 HA TYR 40 HA TYR 40 7.191 2.533 6.486 282 HB2 TYR 40 1HB TYR 40 6.394 0.924 4.482 283 HB3 TYR 40 2HB TYR 40 8.070 1.408 4.715 284 HD1 TYR 40 1HD TYR 40 6.075 -1.103 6.607 285 HD2 TYR 40 2HD TYR 40 9.310 -0.407 3.933 286 HE1 TYR 40 1HE TYR 40 6.727 -3.468 6.789 287 HE2 TYR 40 2HE TYR 40 9.970 -2.769 4.107 288 HH TYR 40 HH TYR 40 8.382 -5.076 4.824 289 H ARG 41 H ARG 41 5.137 3.114 5.595 290 HA ARG 41 HA ARG 41 2.901 1.779 6.966 291 HB2 ARG 41 1HB ARG 41 3.021 4.016 7.714 292 HB3 ARG 41 2HB ARG 41 3.327 4.627 6.094 293 HG2 ARG 41 1HG ARG 41 0.984 3.778 5.527 294 HG3 ARG 41 2HG ARG 41 0.751 3.656 7.272 295 HD2 ARG 41 1HD ARG 41 1.772 6.188 6.045 296 HD3 ARG 41 2HD ARG 41 0.046 5.827 6.043 297 HE ARG 41 HE ARG 41 0.864 5.462 8.638 298 HH11 ARG 41 2HH1 ARG 41 0.903 8.076 6.339 299 HH12 ARG 41 1HH1 ARG 41 0.782 9.313 7.546 300 HH21 ARG 41 2HH2 ARG 41 0.705 7.081 10.237 301 HH22 ARG 41 1HH2 ARG 41 0.671 8.746 9.763 302 H LEU 42 H LEU 42 0.917 1.490 5.849 303 HA LEU 42 HA LEU 42 1.166 1.535 2.913 304 HB2 LEU 42 1HB LEU 42 1.211 -0.734 4.218 305 HB3 LEU 42 2HB LEU 42 -0.531 -0.483 4.312 306 HG LEU 42 HG LEU 42 1.146 -0.855 1.838 307 HD11 LEU 42 1HD1 LEU 42 -1.194 -2.416 2.919 308 HD12 LEU 42 2HD1 LEU 42 0.499 -2.877 3.099 309 HD13 LEU 42 3HD1 LEU 42 -0.229 -2.803 1.494 310 HD21 LEU 42 1HD2 LEU 42 -0.343 0.743 1.091 311 HD22 LEU 42 2HD2 LEU 42 -1.624 0.213 2.180 312 HD23 LEU 42 3HD2 LEU 42 -1.218 -0.752 0.760 313 H GLN 43 H GLN 43 -0.420 2.526 1.831 314 HA GLN 43 HA GLN 43 -2.973 3.017 3.199 315 HB2 GLN 43 1HB GLN 43 -1.275 5.044 1.745 316 HB3 GLN 43 2HB GLN 43 -2.971 5.308 2.128 317 HG2 GLN 43 1HG GLN 43 -2.461 5.058 4.512 318 HG3 GLN 43 2HG GLN 43 -0.759 4.832 4.113 319 HE21 GLN 43 1HE2 GLN 43 -3.151 7.048 4.881 320 HE22 GLN 43 2HE2 GLN 43 -2.291 8.498 4.506 321 H TYR 44 H TYR 44 -4.583 2.224 2.036 322 HA TYR 44 HA TYR 44 -4.557 2.533 -0.868 323 HB2 TYR 44 1HB TYR 44 -5.165 0.200 -1.248 324 HB3 TYR 44 2HB TYR 44 -3.608 0.299 -0.433 325 HD1 TYR 44 1HD TYR 44 -7.240 -0.156 0.287 326 HD2 TYR 44 2HD TYR 44 -3.237 -0.969 1.477 327 HE1 TYR 44 1HE TYR 44 -8.075 -1.657 2.048 328 HE2 TYR 44 2HE TYR 44 -4.061 -2.473 3.241 329 HH TYR 44 HH TYR 44 -7.500 -3.214 3.565 330 H CYS 45 H CYS 45 -6.516 2.986 -1.700 331 HA CYS 45 HA CYS 45 -8.943 2.288 -0.283 332 HB2 CYS 45 1HB CYS 45 -9.715 4.731 -0.398 333 HB3 CYS 45 2HB CYS 45 -8.579 4.305 0.876 334 HG CYS 45 HG CYS 45 -7.620 5.751 -2.071 335 H ARG 46 H ARG 46 -10.886 3.338 -1.531 336 HA ARG 46 HA ARG 46 -10.742 2.370 -4.192 337 HB2 ARG 46 1HB ARG 46 -12.820 3.799 -2.574 338 HB3 ARG 46 2HB ARG 46 -13.048 3.607 -4.307 339 HG2 ARG 46 1HG ARG 46 -12.604 1.112 -3.881 340 HG3 ARG 46 2HG ARG 46 -12.906 1.502 -2.186 341 HD2 ARG 46 1HD ARG 46 -14.844 2.377 -4.286 342 HD3 ARG 46 2HD ARG 46 -14.863 0.708 -3.718 343 HE ARG 46 HE ARG 46 -15.685 1.428 -1.684 344 HH11 ARG 46 2HH1 ARG 46 -14.735 4.152 -3.632 345 HH12 ARG 46 1HH1 ARG 46 -15.495 5.320 -2.602 346 HH21 ARG 46 2HH2 ARG 46 -16.689 2.955 -0.320 347 HH22 ARG 46 1HH2 ARG 46 -16.606 4.638 -0.718 348 H ALA 47 H ALA 47 -11.321 3.637 -6.127 349 HA ALA 47 HA ALA 47 -9.625 5.931 -6.359 350 HB1 ALA 47 1HB ALA 47 -9.550 5.024 -8.396 351 HB2 ALA 47 2HB ALA 47 -11.067 4.155 -8.158 352 HB3 ALA 47 3HB ALA 47 -11.089 5.837 -8.686 353 H ASP 48 H ASP 48 -12.519 5.701 -4.961 354 HA ASP 48 HA ASP 48 -13.336 8.395 -5.831 355 HB2 ASP 48 1HB ASP 48 -14.971 5.937 -5.375 356 HB3 ASP 48 2HB ASP 48 -15.678 7.502 -4.983 357 H GLU 49 H GLU 49 -11.874 6.860 -3.441 358 HA GLU 49 HA GLU 49 -13.316 8.226 -1.274 359 HB2 GLU 49 1HB GLU 49 -11.513 5.842 -1.369 360 HB3 GLU 49 2HB GLU 49 -11.621 6.772 0.118 361 HG2 GLU 49 1HG GLU 49 -14.026 6.409 0.188 362 HG3 GLU 49 2HG GLU 49 -13.939 5.501 -1.321 363 H ALA 50 H ALA 50 -12.293 9.676 0.070 364 HA ALA 50 HA ALA 50 -9.714 10.688 -0.914 365 HB1 ALA 50 1HB ALA 50 -11.616 12.258 -0.975 366 HB2 ALA 50 2HB ALA 50 -11.762 12.114 0.777 367 HB3 ALA 50 3HB ALA 50 -10.307 12.814 0.068 368 H ARG 51 H ARG 51 -10.969 8.822 1.514 369 HA ARG 51 HA ARG 51 -8.865 9.637 3.410 370 HB2 ARG 51 1HB ARG 51 -11.648 8.656 3.800 371 HB3 ARG 51 2HB ARG 51 -10.438 8.155 4.974 372 HG2 ARG 51 1HG ARG 51 -10.019 10.360 5.650 373 HG3 ARG 51 2HG ARG 51 -10.829 11.035 4.235 374 HD2 ARG 51 1HD ARG 51 -12.957 10.489 5.054 375 HD3 ARG 51 2HD ARG 51 -12.303 9.361 6.241 376 HE ARG 51 HE ARG 51 -12.554 12.222 6.511 377 HH11 ARG 51 2HH1 ARG 51 -10.972 9.336 7.648 378 HH12 ARG 51 1HH1 ARG 51 -10.575 10.007 9.195 379 HH21 ARG 51 2HH2 ARG 51 -12.036 13.116 8.544 380 HH22 ARG 51 1HH2 ARG 51 -11.181 12.157 9.704 381 HA PRO 52 HA PRO 52 -7.411 5.591 1.873 382 HB2 PRO 52 1HB PRO 52 -4.793 6.119 2.363 383 HB3 PRO 52 2HB PRO 52 -5.623 6.655 0.897 384 HG2 PRO 52 1HG PRO 52 -5.005 8.188 3.393 385 HG3 PRO 52 2HG PRO 52 -4.859 8.699 1.701 386 HD2 PRO 52 1HD PRO 52 -6.949 9.419 3.264 387 HD3 PRO 52 2HD PRO 52 -7.109 9.162 1.515 388 H ASN 53 H ASN 53 -7.266 3.817 3.101 389 HA ASN 53 HA ASN 53 -7.296 3.980 5.935 390 HB2 ASN 53 1HB ASN 53 -7.039 1.648 4.033 391 HB3 ASN 53 2HB ASN 53 -7.110 1.454 5.783 392 HD21 ASN 53 1HD2 ASN 53 -8.878 1.733 2.947 393 HD22 ASN 53 2HD2 ASN 53 -10.448 1.929 3.642 394 H THR 54 H THR 54 -5.576 4.470 7.119 395 HA THR 54 HA THR 54 -2.895 3.964 6.181 396 HB THR 54 HB THR 54 -3.735 5.014 8.887 397 HG1 THR 54 1HG THR 54 -2.898 6.665 6.763 398 HG21 THR 54 1HG2 THR 54 -1.153 4.924 7.365 399 HG22 THR 54 2HG2 THR 54 -1.474 4.475 9.040 400 HG23 THR 54 3HG2 THR 54 -1.443 6.175 8.573 401 H ILE 55 H ILE 55 -1.565 2.353 6.768 402 HA ILE 55 HA ILE 55 -2.313 0.657 9.045 403 HB ILE 55 HB ILE 55 -1.475 -0.407 6.345 404 HG12 ILE 55 1HG1 ILE 55 -4.098 -1.012 7.651 405 HG13 ILE 55 2HG1 ILE 55 -3.905 0.517 6.800 406 HG21 ILE 55 1HG2 ILE 55 -2.177 -2.601 7.502 407 HG22 ILE 55 2HG2 ILE 55 -0.605 -1.905 7.894 408 HG23 ILE 55 3HG2 ILE 55 -1.961 -1.699 9.002 409 HD11 ILE 55 1HD1 ILE 55 -2.972 -1.773 5.268 410 HD12 ILE 55 2HD1 ILE 55 -4.685 -1.849 5.682 411 HD13 ILE 55 3HD1 ILE 55 -4.050 -0.456 4.806 412 H ASP 56 H ASP 56 -0.617 -0.251 10.164 413 HA ASP 56 HA ASP 56 2.020 0.853 9.533 414 HB2 ASP 56 1HB ASP 56 0.826 1.036 11.844 415 HB3 ASP 56 2HB ASP 56 1.371 -0.625 12.063 416 H PHE 57 H PHE 57 3.786 -0.386 9.123 417 HA PHE 57 HA PHE 57 3.532 -3.298 9.311 418 HB2 PHE 57 1HB PHE 57 4.126 -1.710 6.830 419 HB3 PHE 57 2HB PHE 57 4.743 -3.349 7.014 420 HD1 PHE 57 1HD PHE 57 3.008 -5.176 7.580 421 HD2 PHE 57 2HD PHE 57 2.008 -1.362 5.976 422 HE1 PHE 57 1HE PHE 57 0.857 -6.075 6.791 423 HE2 PHE 57 2HE PHE 57 -0.144 -2.255 5.186 424 HZ PHE 57 HZ PHE 57 -0.722 -4.614 5.593 425 H GLY 58 H GLY 58 5.419 -4.377 9.754 426 HA2 GLY 58 1HA GLY 58 7.645 -2.692 10.603 427 HA3 GLY 58 2HA GLY 58 7.419 -4.392 10.988 428 H LYS 59 H LYS 59 9.810 -3.062 10.015 429 HA LYS 59 HA LYS 59 10.448 -3.227 7.397 430 HB2 LYS 59 1HB LYS 59 12.724 -3.828 8.047 431 HB3 LYS 59 2HB LYS 59 12.058 -2.633 9.153 432 HG2 LYS 59 1HG LYS 59 11.496 -4.535 10.698 433 HG3 LYS 59 2HG LYS 59 12.445 -5.575 9.633 434 HD2 LYS 59 1HD LYS 59 14.419 -4.228 10.021 435 HD3 LYS 59 2HD LYS 59 13.485 -3.091 10.996 436 HE2 LYS 59 1HE LYS 59 14.722 -4.572 12.446 437 HE3 LYS 59 2HE LYS 59 12.998 -4.911 12.591 438 HZ1 LYS 59 1HZ LYS 59 14.725 -6.831 12.308 439 HZ2 LYS 59 2HZ LYS 59 14.572 -6.462 10.665 440 HZ3 LYS 59 3HZ LYS 59 13.210 -6.918 11.558 441 H ASP 60 H ASP 60 9.572 -5.870 9.443 442 HA ASP 60 HA ASP 60 10.615 -7.933 7.739 443 HB2 ASP 60 1HB ASP 60 10.271 -8.240 10.185 444 HB3 ASP 60 2HB ASP 60 8.532 -8.146 9.921 445 H ASP 61 H ASP 61 7.456 -6.444 8.283 446 HA ASP 61 HA ASP 61 5.979 -8.152 6.594 447 HB2 ASP 61 1HB ASP 61 5.543 -5.482 7.834 448 HB3 ASP 61 2HB ASP 61 4.506 -5.924 6.481 449 H GLN 62 H GLN 62 6.941 -8.465 4.620 450 HA GLN 62 HA GLN 62 7.434 -6.105 2.950 451 HB2 GLN 62 1HB GLN 62 8.330 -8.975 2.714 452 HB3 GLN 62 2HB GLN 62 8.562 -7.794 1.431 453 HG2 GLN 62 1HG GLN 62 9.873 -6.405 2.982 454 HG3 GLN 62 2HG GLN 62 9.686 -7.647 4.219 455 HE21 GLN 62 1HE2 GLN 62 11.114 -6.876 1.124 456 HE22 GLN 62 2HE2 GLN 62 12.312 -8.120 1.147 457 H HIS 63 H HIS 63 4.957 -8.102 3.599 458 HA HIS 63 HA HIS 63 3.635 -7.505 1.110 459 HB2 HIS 63 1HB HIS 63 2.951 -10.071 1.032 460 HB3 HIS 63 2HB HIS 63 4.383 -9.473 0.200 461 HD1 HIS 63 1HD HIS 63 6.476 -10.695 0.699 462 HD2 HIS 63 2HD HIS 63 3.654 -11.164 3.711 463 HE1 HIS 63 1HE HIS 63 7.492 -12.323 2.324 464 HE2 HIS 63 2HE HIS 63 5.731 -12.656 4.094 465 H PHE 64 H PHE 64 1.329 -8.245 1.155 466 HA PHE 64 HA PHE 64 0.259 -8.825 3.794 467 HB2 PHE 64 1HB PHE 64 0.507 -6.311 3.604 468 HB3 PHE 64 2HB PHE 64 -0.685 -6.371 2.309 469 HD1 PHE 64 2HD PHE 64 -0.289 -7.674 5.787 470 HD2 PHE 64 1HD PHE 64 -2.842 -5.883 2.889 471 HE1 PHE 64 2HE PHE 64 -2.096 -7.563 7.452 472 HE2 PHE 64 1HE PHE 64 -4.653 -5.769 4.551 473 HZ PHE 64 HZ PHE 64 -4.282 -6.611 6.836 474 H THR 65 H THR 65 -1.783 -9.733 3.759 475 HA THR 65 HA THR 65 -2.769 -10.449 1.082 476 HB THR 65 HB THR 65 -3.274 -11.836 3.722 477 HG1 THR 65 1HG THR 65 -1.097 -11.941 2.600 478 HG21 THR 65 1HG2 THR 65 -4.608 -13.345 2.640 479 HG22 THR 65 2HG2 THR 65 -3.805 -13.109 1.088 480 HG23 THR 65 3HG2 THR 65 -4.962 -11.914 1.673 481 H VAL 66 H VAL 66 -4.449 -9.285 0.428 482 HA VAL 66 HA VAL 66 -6.382 -8.329 2.430 483 HB VAL 66 HB VAL 66 -5.983 -7.309 -0.385 484 HG11 VAL 66 1HG1 VAL 66 -7.607 -5.759 0.011 485 HG12 VAL 66 2HG1 VAL 66 -8.222 -7.076 1.013 486 HG13 VAL 66 3HG1 VAL 66 -7.328 -5.746 1.752 487 HG21 VAL 66 1HG2 VAL 66 -4.431 -6.857 1.968 488 HG22 VAL 66 2HG2 VAL 66 -4.229 -6.166 0.358 489 HG23 VAL 66 3HG2 VAL 66 -5.270 -5.367 1.537 490 H THR 67 H THR 67 -8.339 -9.207 2.473 491 HA THR 67 HA THR 67 -9.353 -10.526 0.042 492 HB THR 67 HB THR 67 -10.360 -12.285 1.396 493 HG1 THR 67 1HG THR 67 -10.011 -12.373 3.609 494 HG21 THR 67 1HG2 THR 67 -7.531 -11.880 1.079 495 HG22 THR 67 2HG2 THR 67 -8.460 -13.377 0.986 496 HG23 THR 67 3HG2 THR 67 -7.849 -12.813 2.541 497 H GLY 68 H GLY 68 -11.521 -10.296 -0.393 498 HA2 GLY 68 1HA GLY 68 -13.775 -9.775 0.248 499 HA3 GLY 68 2HA GLY 68 -13.134 -8.781 1.547 500 H LEU 69 H LEU 69 -11.366 -8.296 -1.253 501 HA LEU 69 HA LEU 69 -12.152 -5.616 -1.530 502 HB2 LEU 69 1HB LEU 69 -10.629 -7.481 -3.326 503 HB3 LEU 69 2HB LEU 69 -10.923 -5.796 -3.752 504 HG LEU 69 HG LEU 69 -9.402 -6.742 -1.323 505 HD11 LEU 69 1HD1 LEU 69 -8.524 -5.776 -4.025 506 HD12 LEU 69 2HD1 LEU 69 -8.034 -7.231 -3.158 507 HD13 LEU 69 3HD1 LEU 69 -7.486 -5.649 -2.604 508 HD21 LEU 69 1HD2 LEU 69 -10.340 -4.663 -0.775 509 HD22 LEU 69 2HD2 LEU 69 -10.090 -4.024 -2.400 510 HD23 LEU 69 3HD2 LEU 69 -8.709 -4.287 -1.334 511 H HIS 70 H HIS 70 -13.748 -4.658 -2.620 512 HA HIS 70 HA HIS 70 -15.865 -6.118 -3.742 513 HB2 HIS 70 1HB HIS 70 -15.099 -3.216 -3.768 514 HB3 HIS 70 2HB HIS 70 -16.465 -3.780 -4.726 515 HD1 HIS 70 1HD HIS 70 -18.312 -2.712 -3.381 516 HD2 HIS 70 2HD HIS 70 -15.767 -5.040 -1.066 517 HE1 HIS 70 1HE HIS 70 -19.415 -2.876 -1.127 518 HE2 HIS 70 2HE HIS 70 -17.816 -4.218 0.282 519 H LYS 71 H LYS 71 -15.794 -7.267 -5.550 520 HA LYS 71 HA LYS 71 -13.862 -7.042 -7.557 521 HB2 LYS 71 1HB LYS 71 -15.171 -8.605 -8.809 522 HB3 LYS 71 2HB LYS 71 -15.311 -9.039 -7.111 523 HG2 LYS 71 1HG LYS 71 -17.511 -8.322 -6.975 524 HG3 LYS 71 2HG LYS 71 -17.369 -7.298 -8.406 525 HD2 LYS 71 1HD LYS 71 -18.537 -9.049 -9.298 526 HD3 LYS 71 2HD LYS 71 -16.890 -9.619 -9.580 527 HE2 LYS 71 1HE LYS 71 -18.113 -11.439 -8.663 528 HE3 LYS 71 2HE LYS 71 -17.044 -10.842 -7.395 529 HZ1 LYS 71 1HZ LYS 71 -19.796 -11.160 -7.275 530 HZ2 LYS 71 2HZ LYS 71 -19.518 -9.492 -7.271 531 HZ3 LYS 71 3HZ LYS 71 -18.787 -10.473 -6.103 532 H GLY 72 H GLY 72 -13.995 -6.282 -9.718 533 HA2 GLY 72 1HA GLY 72 -14.524 -4.764 -11.356 534 HA3 GLY 72 2HA GLY 72 -16.178 -4.847 -10.769 535 H THR 73 H THR 73 -13.463 -3.835 -8.797 536 HA THR 73 HA THR 73 -14.398 -1.051 -8.966 537 HB THR 73 HB THR 73 -13.778 -2.563 -6.423 538 HG1 THR 73 1HG THR 73 -15.934 -2.732 -7.442 539 HG21 THR 73 1HG2 THR 73 -13.019 -0.549 -5.733 540 HG22 THR 73 2HG2 THR 73 -14.735 -0.160 -5.616 541 HG23 THR 73 3HG2 THR 73 -13.818 0.316 -7.044 542 H THR 74 H THR 74 -12.825 0.429 -9.147 543 HA THR 74 HA THR 74 -10.095 -0.472 -9.365 544 HB THR 74 HB THR 74 -11.229 2.319 -9.636 545 HG1 THR 74 1HG THR 74 -11.523 1.839 -11.716 546 HG21 THR 74 1HG2 THR 74 -8.651 1.394 -10.837 547 HG22 THR 74 2HG2 THR 74 -8.693 1.915 -9.153 548 HG23 THR 74 3HG2 THR 74 -9.177 3.027 -10.433 549 H TYR 75 H TYR 75 -8.484 -0.209 -7.934 550 HA TYR 75 HA TYR 75 -9.012 1.440 -5.550 551 HB2 TYR 75 1HB TYR 75 -8.000 -1.365 -5.764 552 HB3 TYR 75 2HB TYR 75 -7.411 -0.349 -4.452 553 HD1 TYR 75 1HD TYR 75 -9.022 0.564 -2.785 554 HD2 TYR 75 2HD TYR 75 -10.193 -2.283 -5.722 555 HE1 TYR 75 1HE TYR 75 -11.043 0.056 -1.478 556 HE2 TYR 75 2HE TYR 75 -12.217 -2.799 -4.423 557 HH TYR 75 HH TYR 75 -13.110 -2.616 -2.256 558 H ILE 76 H ILE 76 -7.092 2.243 -4.461 559 HA ILE 76 HA ILE 76 -4.738 2.425 -6.220 560 HB ILE 76 HB ILE 76 -5.713 4.732 -4.549 561 HG12 ILE 76 1HG1 ILE 76 -6.065 4.639 -7.522 562 HG13 ILE 76 2HG1 ILE 76 -7.268 3.877 -6.488 563 HG21 ILE 76 1HG2 ILE 76 -4.191 6.038 -5.867 564 HG22 ILE 76 2HG2 ILE 76 -3.324 4.645 -5.223 565 HG23 ILE 76 3HG2 ILE 76 -3.841 4.659 -6.909 566 HD11 ILE 76 1HD1 ILE 76 -7.777 5.944 -5.432 567 HD12 ILE 76 2HD1 ILE 76 -6.415 6.745 -6.218 568 HD13 ILE 76 3HD1 ILE 76 -7.796 6.210 -7.175 569 H PHE 77 H PHE 77 -3.144 1.409 -5.197 570 HA PHE 77 HA PHE 77 -3.000 1.506 -2.278 571 HB2 PHE 77 1HB PHE 77 -1.625 -0.206 -4.346 572 HB3 PHE 77 2HB PHE 77 -1.152 -0.212 -2.650 573 HD1 PHE 77 1HD PHE 77 -3.984 -0.852 -4.946 574 HD2 PHE 77 2HD PHE 77 -2.328 -1.484 -1.077 575 HE1 PHE 77 1HE PHE 77 -5.737 -2.512 -4.471 576 HE2 PHE 77 2HE PHE 77 -4.078 -3.145 -0.595 577 HZ PHE 77 HZ PHE 77 -5.785 -3.661 -2.293 578 H ARG 78 H ARG 78 -1.204 2.250 -1.158 579 HA ARG 78 HA ARG 78 0.953 3.504 -2.676 580 HB2 ARG 78 1HB ARG 78 -1.019 4.930 -0.943 581 HB3 ARG 78 2HB ARG 78 0.649 5.485 -0.956 582 HG2 ARG 78 1HG ARG 78 0.389 5.508 -3.520 583 HG3 ARG 78 2HG ARG 78 -1.343 5.455 -3.185 584 HD2 ARG 78 1HD ARG 78 0.321 7.455 -1.742 585 HD3 ARG 78 2HD ARG 78 -0.049 7.744 -3.442 586 HE ARG 78 HE ARG 78 -2.256 8.110 -2.880 587 HH11 ARG 78 2HH1 ARG 78 -0.513 6.859 -0.139 588 HH12 ARG 78 1HH1 ARG 78 -1.786 7.195 0.989 589 HH21 ARG 78 2HH2 ARG 78 -3.938 8.558 -1.406 590 HH22 ARG 78 1HH2 ARG 78 -3.733 8.161 0.266 591 H LEU 79 H LEU 79 2.884 3.225 -1.738 592 HA LEU 79 HA LEU 79 2.954 2.478 1.109 593 HB2 LEU 79 1HB LEU 79 3.252 0.551 -0.490 594 HB3 LEU 79 2HB LEU 79 4.751 1.318 -1.009 595 HG LEU 79 HG LEU 79 5.530 1.147 1.386 596 HD11 LEU 79 1HD1 LEU 79 4.130 0.464 2.959 597 HD12 LEU 79 2HD1 LEU 79 3.913 -1.070 2.118 598 HD13 LEU 79 3HD1 LEU 79 2.854 0.292 1.754 599 HD21 LEU 79 1HD2 LEU 79 6.527 -0.368 -0.055 600 HD22 LEU 79 2HD2 LEU 79 5.013 -1.211 -0.383 601 HD23 LEU 79 3HD2 LEU 79 5.819 -1.416 1.173 602 H ALA 80 H ALA 80 5.027 2.867 2.165 603 HA ALA 80 HA ALA 80 6.878 4.663 0.831 604 HB1 ALA 80 1HB ALA 80 5.319 5.536 3.260 605 HB2 ALA 80 2HB ALA 80 6.686 6.402 2.560 606 HB3 ALA 80 3HB ALA 80 5.197 6.212 1.636 607 H ALA 81 H ALA 81 8.890 4.810 1.848 608 HA ALA 81 HA ALA 81 9.421 2.657 3.741 609 HB1 ALA 81 1HB ALA 81 10.761 3.261 1.561 610 HB2 ALA 81 2HB ALA 81 11.584 4.383 2.644 611 HB3 ALA 81 3HB ALA 81 11.586 2.655 2.997 612 H LYS 82 H LYS 82 10.521 2.954 5.702 613 HA LYS 82 HA LYS 82 10.603 5.721 6.704 614 HB2 LYS 82 1HB LYS 82 8.658 4.178 7.513 615 HB3 LYS 82 2HB LYS 82 9.902 3.426 8.504 616 HG2 LYS 82 1HG LYS 82 10.385 5.914 9.203 617 HG3 LYS 82 2HG LYS 82 8.715 6.145 8.682 618 HD2 LYS 82 1HD LYS 82 9.591 4.042 10.657 619 HD3 LYS 82 2HD LYS 82 8.985 5.634 11.116 620 HE2 LYS 82 1HE LYS 82 6.863 5.178 10.067 621 HE3 LYS 82 2HE LYS 82 7.464 3.646 9.435 622 HZ1 LYS 82 1HZ LYS 82 7.750 2.898 11.748 623 HZ2 LYS 82 2HZ LYS 82 6.138 3.242 11.372 624 HZ3 LYS 82 3HZ LYS 82 7.043 4.336 12.291 625 H ASN 83 H ASN 83 12.593 6.270 7.272 626 HA ASN 83 HA ASN 83 14.411 4.163 8.243 627 HB2 ASN 83 1HB ASN 83 16.263 5.594 7.389 628 HB3 ASN 83 2HB ASN 83 15.183 5.027 6.118 629 HD21 ASN 83 1HD2 ASN 83 16.423 6.919 5.134 630 HD22 ASN 83 2HD2 ASN 83 15.647 8.460 5.229 631 H ARG 84 H ARG 84 16.403 5.487 9.360 632 HA ARG 84 HA ARG 84 15.549 6.190 11.878 633 HB2 ARG 84 1HB ARG 84 18.048 6.712 10.332 634 HB3 ARG 84 2HB ARG 84 17.825 7.544 11.866 635 HG2 ARG 84 1HG ARG 84 17.443 4.589 11.720 636 HG3 ARG 84 2HG ARG 84 19.071 5.267 11.783 637 HD2 ARG 84 1HD ARG 84 18.657 4.999 14.018 638 HD3 ARG 84 2HD ARG 84 18.062 6.643 13.785 639 HE ARG 84 HE ARG 84 15.936 4.886 13.356 640 HH11 ARG 84 2HH1 ARG 84 18.011 5.928 15.950 641 HH12 ARG 84 1HH1 ARG 84 16.825 5.654 17.183 642 HH21 ARG 84 2HH2 ARG 84 14.366 4.521 14.970 643 HH22 ARG 84 1HH2 ARG 84 14.753 4.853 16.625 644 H ALA 85 H ALA 85 15.814 8.191 9.026 645 HA ALA 85 HA ALA 85 15.408 10.662 10.461 646 HB1 ALA 85 1HB ALA 85 15.818 11.733 8.489 647 HB2 ALA 85 2HB ALA 85 16.629 10.201 8.164 648 HB3 ALA 85 3HB ALA 85 15.014 10.497 7.520 649 H GLY 86 H GLY 86 13.439 8.210 9.072 650 HA2 GLY 86 1HA GLY 86 11.092 8.293 9.901 651 HA3 GLY 86 2HA GLY 86 11.076 9.964 9.354 652 H LEU 87 H LEU 87 9.121 9.115 8.216 653 HA LEU 87 HA LEU 87 9.381 7.290 6.066 654 HB2 LEU 87 1HB LEU 87 7.320 9.462 6.391 655 HB3 LEU 87 2HB LEU 87 7.182 8.008 5.405 656 HG LEU 87 HG LEU 87 7.554 7.743 8.356 657 HD11 LEU 87 1HD1 LEU 87 4.775 7.801 7.413 658 HD12 LEU 87 2HD1 LEU 87 5.582 9.368 7.461 659 HD13 LEU 87 3HD1 LEU 87 5.479 8.384 8.921 660 HD21 LEU 87 1HD2 LEU 87 5.666 6.074 6.845 661 HD22 LEU 87 2HD2 LEU 87 6.899 5.618 8.021 662 HD23 LEU 87 3HD2 LEU 87 7.352 5.938 6.346 663 H GLY 88 H GLY 88 9.416 7.682 3.820 664 HA2 GLY 88 1HA GLY 88 10.373 10.376 3.069 665 HA3 GLY 88 2HA GLY 88 11.116 8.911 2.443 666 H GLU 89 H GLU 89 10.695 9.157 0.302 667 HA GLU 89 HA GLU 89 8.352 10.156 -0.833 668 HB2 GLU 89 1HB GLU 89 10.618 8.488 -1.801 669 HB3 GLU 89 2HB GLU 89 9.169 8.539 -2.795 670 HG2 GLU 89 1HG GLU 89 10.465 10.238 -3.668 671 HG3 GLU 89 2HG GLU 89 9.368 11.092 -2.585 672 H GLU 90 H GLU 90 6.769 8.935 -2.159 673 HA GLU 90 HA GLU 90 6.154 6.282 -1.058 674 HB2 GLU 90 1HB GLU 90 3.736 6.935 -1.014 675 HB3 GLU 90 2HB GLU 90 4.733 7.760 0.175 676 HG2 GLU 90 1HG GLU 90 4.554 9.788 -0.871 677 HG3 GLU 90 2HG GLU 90 4.266 9.068 -2.454 678 H PHE 91 H PHE 91 5.046 4.885 -2.438 679 HA PHE 91 HA PHE 91 5.128 5.682 -5.261 680 HB2 PHE 91 1HB PHE 91 6.459 3.697 -4.569 681 HB3 PHE 91 2HB PHE 91 4.966 2.902 -4.081 682 HD1 PHE 91 2HD PHE 91 3.230 2.406 -5.826 683 HD2 PHE 91 1HD PHE 91 7.175 3.674 -6.800 684 HE1 PHE 91 2HE PHE 91 2.936 1.550 -8.114 685 HE2 PHE 91 1HE PHE 91 6.887 2.821 -9.090 686 HZ PHE 91 HZ PHE 91 4.766 1.757 -9.749 687 H GLU 92 H GLU 92 3.396 5.235 -6.659 688 HA GLU 92 HA GLU 92 0.832 4.678 -5.318 689 HB2 GLU 92 1HB GLU 92 0.861 7.017 -5.842 690 HB3 GLU 92 2HB GLU 92 1.445 6.703 -7.470 691 HG2 GLU 92 1HG GLU 92 -0.772 5.368 -7.717 692 HG3 GLU 92 2HG GLU 92 -1.287 6.336 -6.337 693 H LYS 93 H LYS 93 -0.500 3.231 -6.265 694 HA LYS 93 HA LYS 93 -0.002 2.382 -9.011 695 HB2 LYS 93 1HB LYS 93 1.259 0.966 -7.159 696 HB3 LYS 93 2HB LYS 93 -0.322 0.215 -6.983 697 HG2 LYS 93 1HG LYS 93 1.068 0.454 -9.634 698 HG3 LYS 93 2HG LYS 93 1.301 -0.919 -8.550 699 HD2 LYS 93 1HD LYS 93 -1.218 -1.187 -8.568 700 HD3 LYS 93 2HD LYS 93 -1.239 -0.025 -9.897 701 HE2 LYS 93 1HE LYS 93 0.489 -2.476 -9.988 702 HE3 LYS 93 2HE LYS 93 -1.207 -2.532 -10.467 703 HZ1 LYS 93 1HZ LYS 93 -0.476 -1.904 -12.457 704 HZ2 LYS 93 2HZ LYS 93 1.050 -1.466 -11.874 705 HZ3 LYS 93 3HZ LYS 93 -0.235 -0.368 -11.791 706 H GLU 94 H GLU 94 -1.839 1.954 -10.077 707 HA GLU 94 HA GLU 94 -4.310 1.738 -8.489 708 HB2 GLU 94 1HB GLU 94 -3.939 3.752 -10.045 709 HB3 GLU 94 2HB GLU 94 -4.185 2.617 -11.364 710 HG2 GLU 94 1HG GLU 94 -6.407 2.235 -10.785 711 HG3 GLU 94 2HG GLU 94 -6.191 2.883 -9.160 712 H ILE 95 H ILE 95 -5.513 -0.043 -8.676 713 HA ILE 95 HA ILE 95 -5.017 -1.834 -10.960 714 HB ILE 95 HB ILE 95 -5.169 -3.771 -9.563 715 HG12 ILE 95 1HG1 ILE 95 -6.809 -2.513 -7.958 716 HG13 ILE 95 2HG1 ILE 95 -5.790 -3.802 -7.326 717 HG21 ILE 95 1HG2 ILE 95 -3.268 -3.195 -7.864 718 HG22 ILE 95 2HG2 ILE 95 -2.956 -3.147 -9.599 719 HG23 ILE 95 3HG2 ILE 95 -3.250 -1.650 -8.715 720 HD11 ILE 95 1HD1 ILE 95 -4.550 -2.389 -6.073 721 HD12 ILE 95 2HD1 ILE 95 -4.702 -1.057 -7.219 722 HD13 ILE 95 3HD1 ILE 95 -6.037 -1.444 -6.135 723 H ARG 96 H ARG 96 -6.849 -3.726 -10.647 724 HA ARG 96 HA ARG 96 -9.425 -2.650 -9.931 725 HB2 ARG 96 1HB ARG 96 -9.141 -1.645 -12.135 726 HB3 ARG 96 2HB ARG 96 -8.771 -3.218 -12.827 727 HG2 ARG 96 1HG ARG 96 -11.090 -3.924 -12.043 728 HG3 ARG 96 2HG ARG 96 -11.395 -2.204 -11.793 729 HD2 ARG 96 1HD ARG 96 -12.154 -2.440 -13.938 730 HD3 ARG 96 2HD ARG 96 -10.469 -2.025 -14.250 731 HE ARG 96 HE ARG 96 -10.590 -4.786 -14.074 732 HH11 ARG 96 2HH1 ARG 96 -11.916 -2.274 -16.087 733 HH12 ARG 96 1HH1 ARG 96 -12.011 -3.274 -17.498 734 HH21 ARG 96 2HH2 ARG 96 -10.711 -6.113 -15.925 735 HH22 ARG 96 1HH2 ARG 96 -11.326 -5.459 -17.405 736 H THR 97 H THR 97 -10.406 -4.290 -8.970 737 HA THR 97 HA THR 97 -9.575 -6.966 -9.141 738 HB THR 97 HB THR 97 -11.869 -7.434 -8.064 739 HG1 THR 97 1HG THR 97 -12.604 -5.278 -7.119 740 HG21 THR 97 1HG2 THR 97 -10.880 -5.669 -6.120 741 HG22 THR 97 2HG2 THR 97 -9.476 -6.202 -7.045 742 HG23 THR 97 3HG2 THR 97 -10.532 -7.390 -6.281 743 HA PRO 98 HA PRO 98 -11.537 -8.443 -12.794 744 HB2 PRO 98 1HB PRO 98 -11.710 -11.078 -12.164 745 HB3 PRO 98 2HB PRO 98 -10.186 -10.291 -12.593 746 HG2 PRO 98 1HG PRO 98 -11.277 -10.957 -9.886 747 HG3 PRO 98 2HG PRO 98 -9.626 -11.147 -10.505 748 HD2 PRO 98 1HD PRO 98 -10.360 -9.078 -8.920 749 HD3 PRO 98 2HD PRO 98 -9.113 -8.924 -10.174 750 H GLU 99 H GLU 99 -13.588 -8.522 -13.485 751 HA GLU 99 HA GLU 99 -15.738 -8.564 -11.585 752 HB2 GLU 99 1HB GLU 99 -15.801 -8.515 -14.608 753 HB3 GLU 99 2HB GLU 99 -17.184 -8.248 -13.556 754 HG2 GLU 99 1HG GLU 99 -15.699 -6.352 -12.559 755 HG3 GLU 99 2HG GLU 99 -14.845 -6.484 -14.095 756 H ASP 100 H ASP 100 -17.518 -10.026 -11.588 757 HA ASP 100 HA ASP 100 -17.355 -12.498 -13.053 758 HB2 ASP 100 1HB ASP 100 -16.701 -12.380 -10.120 759 HB3 ASP 100 2HB ASP 100 -17.412 -13.828 -10.829 760 H LEU 101 H LEU 101 -19.188 -13.951 -12.535 761 HA LEU 101 HA LEU 101 -21.617 -12.592 -12.547 762 HB2 LEU 101 1HB LEU 101 -22.616 -14.639 -12.723 763 HB3 LEU 101 2HB LEU 101 -20.970 -15.037 -13.211 764 HG LEU 101 HG LEU 101 -22.331 -15.650 -10.598 765 HD11 LEU 101 1HD1 LEU 101 -20.838 -17.699 -12.066 766 HD12 LEU 101 2HD1 LEU 101 -22.245 -17.063 -12.918 767 HD13 LEU 101 3HD1 LEU 101 -22.431 -17.771 -11.314 768 HD21 LEU 101 1HD2 LEU 101 -20.348 -16.171 -9.583 769 HD22 LEU 101 2HD2 LEU 101 -19.847 -14.781 -10.545 770 HD23 LEU 101 3HD2 LEU 101 -19.501 -16.416 -11.111 771 H SER 102 H SER 102 -23.430 -13.405 -10.892 772 HA SER 102 HA SER 102 -22.520 -12.448 -8.277 773 HB2 SER 102 1HB SER 102 -24.423 -11.287 -9.404 774 HB3 SER 102 2HB SER 102 -25.355 -12.780 -9.287 775 HG SER 102 HG SER 102 -25.809 -11.381 -7.548 776 H GLY 103 H GLY 103 -24.428 -15.061 -9.742 777 HA2 GLY 103 1HA GLY 103 -23.509 -17.170 -8.315 778 HA3 GLY 103 2HA GLY 103 -24.688 -16.454 -7.226 779 HA PRO 104 HA PRO 104 -27.157 -19.450 -9.572 780 HB2 PRO 104 1HB PRO 104 -29.055 -19.705 -7.647 781 HB3 PRO 104 2HB PRO 104 -27.521 -20.582 -7.605 782 HG2 PRO 104 1HG PRO 104 -28.314 -18.082 -6.161 783 HG3 PRO 104 2HG PRO 104 -27.419 -19.488 -5.556 784 HD2 PRO 104 1HD PRO 104 -26.194 -17.188 -6.292 785 HD3 PRO 104 2HD PRO 104 -25.431 -18.779 -6.482 786 H SER 105 H SER 105 -27.634 -16.262 -8.621 787 HA SER 105 HA SER 105 -30.356 -15.830 -9.053 788 HB2 SER 105 1HB SER 105 -27.941 -14.061 -9.395 789 HB3 SER 105 2HB SER 105 -29.570 -13.472 -9.725 790 HG SER 105 HG SER 105 -28.458 -14.342 -7.283 791 H SER 106 H SER 106 -31.604 -15.863 -10.803 792 HA SER 106 HA SER 106 -30.291 -15.939 -13.441 793 HB2 SER 106 1HB SER 106 -31.317 -18.072 -12.981 794 HB3 SER 106 2HB SER 106 -32.825 -17.296 -12.499 795 HG SER 106 HG SER 106 -33.205 -16.732 -14.596 796 H GLY 107 H GLY 107 -31.719 -15.189 -15.255 797 HA2 GLY 107 1HA GLY 107 -33.885 -13.837 -15.540 798 HA3 GLY 107 2HA GLY 107 -33.120 -12.745 -14.395 Start of MODEL 4 1 H1 GLY 1 H GLY 1 13.320 27.357 11.557 2 HA2 GLY 1 1HA GLY 1 10.628 27.914 11.171 3 HA3 GLY 1 2HA GLY 1 11.300 27.606 9.577 4 H SER 2 H SER 2 10.339 25.686 9.124 5 HA SER 2 HA SER 2 10.300 23.546 11.065 6 HB2 SER 2 1HB SER 2 9.327 23.814 8.226 7 HB3 SER 2 2HB SER 2 9.324 22.260 9.058 8 HG SER 2 HG SER 2 7.934 23.107 10.587 9 H SER 3 H SER 3 11.325 21.524 10.824 10 HA SER 3 HA SER 3 13.592 21.477 8.948 11 HB2 SER 3 1HB SER 3 15.049 20.591 10.647 12 HB3 SER 3 2HB SER 3 14.309 22.057 11.288 13 HG SER 3 HG SER 3 13.198 20.903 12.695 14 H GLY 4 H GLY 4 13.964 19.574 7.927 15 HA2 GLY 4 1HA GLY 4 13.835 17.065 8.234 16 HA3 GLY 4 2HA GLY 4 12.142 17.352 8.610 17 H SER 5 H SER 5 14.571 17.412 6.080 18 HA SER 5 HA SER 5 12.400 17.436 4.086 19 HB2 SER 5 1HB SER 5 13.909 18.484 2.517 20 HB3 SER 5 2HB SER 5 13.925 19.424 4.009 21 HG SER 5 HG SER 5 16.030 19.157 3.495 22 H SER 6 H SER 6 15.656 16.191 4.771 23 HA SER 6 HA SER 6 15.902 14.401 2.676 24 HB2 SER 6 1HB SER 6 17.024 14.541 5.437 25 HB3 SER 6 2HB SER 6 17.235 13.040 4.535 26 HG SER 6 HG SER 6 17.814 15.444 3.238 27 H GLY 7 H GLY 7 15.605 12.105 2.553 28 HA2 GLY 7 1HA GLY 7 14.283 10.498 4.383 29 HA3 GLY 7 2HA GLY 7 13.029 11.276 3.429 30 HA PRO 8 HA PRO 8 14.840 7.422 1.315 31 HB2 PRO 8 1HB PRO 8 12.740 5.748 1.713 32 HB3 PRO 8 2HB PRO 8 14.098 5.870 2.838 33 HG2 PRO 8 1HG PRO 8 11.387 7.130 2.997 34 HG3 PRO 8 2HG PRO 8 12.335 6.350 4.277 35 HD2 PRO 8 1HD PRO 8 12.198 9.040 3.999 36 HD3 PRO 8 2HD PRO 8 13.644 8.216 4.618 37 H GLY 9 H GLY 9 14.039 6.494 -0.667 38 HA2 GLY 9 1HA GLY 9 12.338 8.330 -2.109 39 HA3 GLY 9 2HA GLY 9 13.179 6.939 -2.777 40 H ARG 10 H ARG 10 11.394 6.227 -3.943 41 HA ARG 10 HA ARG 10 9.011 5.474 -2.412 42 HB2 ARG 10 1HB ARG 10 9.524 5.674 -5.382 43 HB3 ARG 10 2HB ARG 10 8.033 5.043 -4.695 44 HG2 ARG 10 1HG ARG 10 7.669 7.205 -3.569 45 HG3 ARG 10 2HG ARG 10 9.124 7.827 -4.350 46 HD2 ARG 10 1HD ARG 10 6.963 6.608 -6.011 47 HD3 ARG 10 2HD ARG 10 6.767 8.251 -5.402 48 HE ARG 10 HE ARG 10 9.290 7.869 -6.679 49 HH11 ARG 10 2HH1 ARG 10 5.909 8.459 -7.261 50 HH12 ARG 10 1HH1 ARG 10 6.173 9.239 -8.785 51 HH21 ARG 10 2HH2 ARG 10 9.651 8.894 -8.684 52 HH22 ARG 10 1HH2 ARG 10 8.302 9.485 -9.594 53 HA PRO 11 HA PRO 11 10.504 1.290 -2.325 54 HB2 PRO 11 1HB PRO 11 8.274 0.202 -1.223 55 HB3 PRO 11 2HB PRO 11 9.454 1.128 -0.288 56 HG2 PRO 11 1HG PRO 11 6.828 2.007 -1.425 57 HG3 PRO 11 2HG PRO 11 7.527 2.347 0.169 58 HD2 PRO 11 1HD PRO 11 7.591 4.136 -1.863 59 HD3 PRO 11 2HD PRO 11 8.878 4.029 -0.644 60 H THR 12 H THR 12 10.066 -0.705 -3.352 61 HA THR 12 HA THR 12 8.472 -0.436 -5.767 62 HB THR 12 HB THR 12 10.276 -2.695 -4.879 63 HG1 THR 12 1HG THR 12 10.806 -0.811 -6.927 64 HG21 THR 12 1HG2 THR 12 8.428 -3.246 -6.532 65 HG22 THR 12 2HG2 THR 12 10.075 -3.588 -7.063 66 HG23 THR 12 3HG2 THR 12 9.239 -2.152 -7.653 67 H MET 13 H MET 13 6.341 -0.704 -5.317 68 HA MET 13 HA MET 13 5.510 -2.989 -3.690 69 HB2 MET 13 1HB MET 13 4.541 -0.751 -3.224 70 HB3 MET 13 2HB MET 13 3.840 -0.744 -4.836 71 HG2 MET 13 1HG MET 13 2.311 -2.408 -4.319 72 HG3 MET 13 2HG MET 13 3.236 -2.959 -2.924 73 HE1 MET 13 1HE MET 13 2.397 0.872 -3.724 74 HE2 MET 13 2HE MET 13 1.118 -0.107 -4.442 75 HE3 MET 13 3HE MET 13 0.765 0.931 -3.059 76 H MET 14 H MET 14 4.411 -4.711 -4.484 77 HA MET 14 HA MET 14 3.728 -4.688 -7.347 78 HB2 MET 14 1HB MET 14 4.981 -6.985 -5.831 79 HB3 MET 14 2HB MET 14 4.489 -7.013 -7.520 80 HG2 MET 14 1HG MET 14 6.118 -5.125 -7.897 81 HG3 MET 14 2HG MET 14 6.718 -5.440 -6.270 82 HE1 MET 14 1HE MET 14 8.728 -5.928 -6.347 83 HE2 MET 14 2HE MET 14 9.280 -7.594 -6.519 84 HE3 MET 14 3HE MET 14 9.560 -6.433 -7.818 85 H ILE 15 H ILE 15 1.593 -4.846 -7.497 86 HA ILE 15 HA ILE 15 0.139 -6.454 -5.513 87 HB ILE 15 HB ILE 15 -0.932 -4.387 -7.438 88 HG12 ILE 15 1HG1 ILE 15 -0.928 -4.067 -4.466 89 HG13 ILE 15 2HG1 ILE 15 0.563 -3.759 -5.349 90 HG21 ILE 15 1HG2 ILE 15 -2.498 -6.235 -6.812 91 HG22 ILE 15 2HG2 ILE 15 -2.344 -5.717 -5.134 92 HG23 ILE 15 3HG2 ILE 15 -3.034 -4.625 -6.335 93 HD11 ILE 15 1HD1 ILE 15 -1.669 -2.056 -4.982 94 HD12 ILE 15 2HD1 ILE 15 -0.159 -1.732 -5.834 95 HD13 ILE 15 3HD1 ILE 15 -1.531 -2.422 -6.701 96 H SER 16 H SER 16 -0.694 -8.348 -6.081 97 HA SER 16 HA SER 16 -1.406 -8.832 -8.881 98 HB2 SER 16 1HB SER 16 0.605 -10.346 -7.265 99 HB3 SER 16 2HB SER 16 -0.391 -11.228 -8.422 100 HG SER 16 HG SER 16 0.835 -10.470 -9.935 101 H THR 17 H THR 17 -3.301 -9.842 -9.100 102 HA THR 17 HA THR 17 -4.748 -10.617 -6.714 103 HB THR 17 HB THR 17 -6.687 -10.849 -8.149 104 HG1 THR 17 1HG THR 17 -4.886 -10.384 -10.313 105 HG21 THR 17 1HG2 THR 17 -6.749 -8.631 -7.807 106 HG22 THR 17 2HG2 THR 17 -6.187 -8.495 -9.474 107 HG23 THR 17 3HG2 THR 17 -5.029 -8.443 -8.145 108 H THR 18 H THR 18 -4.984 -12.626 -5.984 109 HA THR 18 HA THR 18 -4.223 -14.851 -7.761 110 HB THR 18 HB THR 18 -3.824 -16.102 -5.562 111 HG1 THR 18 1HG THR 18 -3.366 -13.588 -4.405 112 HG21 THR 18 1HG2 THR 18 -1.926 -13.805 -5.875 113 HG22 THR 18 2HG2 THR 18 -2.100 -14.997 -7.164 114 HG23 THR 18 3HG2 THR 18 -1.580 -15.505 -5.557 115 H ALA 19 H ALA 19 -6.061 -14.507 -4.723 116 HA ALA 19 HA ALA 19 -7.950 -16.514 -5.621 117 HB1 ALA 19 1HB ALA 19 -8.194 -16.912 -3.452 118 HB2 ALA 19 2HB ALA 19 -7.004 -15.652 -3.125 119 HB3 ALA 19 3HB ALA 19 -8.721 -15.254 -3.163 120 H MET 20 H MET 20 -10.343 -15.873 -4.756 121 HA MET 20 HA MET 20 -11.206 -13.837 -6.586 122 HB2 MET 20 1HB MET 20 -12.817 -15.407 -4.565 123 HB3 MET 20 2HB MET 20 -13.465 -14.464 -5.900 124 HG2 MET 20 1HG MET 20 -13.544 -16.524 -6.837 125 HG3 MET 20 2HG MET 20 -11.913 -16.060 -7.316 126 HE1 MET 20 1HE MET 20 -13.923 -18.841 -5.052 127 HE2 MET 20 2HE MET 20 -12.883 -18.608 -3.647 128 HE3 MET 20 3HE MET 20 -13.805 -17.251 -4.297 129 H ASN 21 H ASN 21 -11.548 -11.757 -6.168 130 HA ASN 21 HA ASN 21 -11.755 -9.781 -5.061 131 HB2 ASN 21 1HB ASN 21 -13.006 -11.414 -2.846 132 HB3 ASN 21 2HB ASN 21 -13.240 -9.697 -3.165 133 HD21 ASN 21 1HD2 ASN 21 -15.219 -9.380 -3.861 134 HD22 ASN 21 2HD2 ASN 21 -16.056 -10.341 -5.029 135 H THR 22 H THR 22 -9.382 -11.493 -4.645 136 HA THR 22 HA THR 22 -8.445 -10.255 -2.143 137 HB THR 22 HB THR 22 -7.047 -12.197 -1.678 138 HG1 THR 22 1HG THR 22 -7.221 -12.770 -4.130 139 HG21 THR 22 1HG2 THR 22 -9.681 -13.484 -2.149 140 HG22 THR 22 2HG2 THR 22 -9.657 -12.029 -1.151 141 HG23 THR 22 3HG2 THR 22 -8.691 -13.431 -0.691 142 H ALA 23 H ALA 23 -6.685 -9.035 -2.365 143 HA ALA 23 HA ALA 23 -5.090 -9.335 -4.826 144 HB1 ALA 23 1HB ALA 23 -5.915 -6.909 -3.280 145 HB2 ALA 23 2HB ALA 23 -4.478 -6.878 -4.303 146 HB3 ALA 23 3HB ALA 23 -6.055 -7.235 -5.008 147 H LEU 24 H LEU 24 -3.081 -10.029 -4.550 148 HA LEU 24 HA LEU 24 -1.934 -10.193 -1.906 149 HB2 LEU 24 1HB LEU 24 -1.736 -12.006 -3.593 150 HB3 LEU 24 2HB LEU 24 -0.720 -10.941 -4.562 151 HG LEU 24 HG LEU 24 1.025 -11.001 -2.939 152 HD11 LEU 24 1HD1 LEU 24 0.490 -12.697 -0.939 153 HD12 LEU 24 2HD1 LEU 24 -1.119 -12.019 -1.182 154 HD13 LEU 24 3HD1 LEU 24 0.240 -10.955 -0.821 155 HD21 LEU 24 1HD2 LEU 24 1.735 -13.173 -3.221 156 HD22 LEU 24 2HD2 LEU 24 0.498 -13.047 -4.472 157 HD23 LEU 24 3HD2 LEU 24 0.129 -13.849 -2.944 158 H LEU 25 H LEU 25 -0.528 -8.822 -1.024 159 HA LEU 25 HA LEU 25 0.631 -6.733 -2.743 160 HB2 LEU 25 1HB LEU 25 0.219 -6.654 0.240 161 HB3 LEU 25 2HB LEU 25 0.737 -5.324 -0.794 162 HG LEU 25 HG LEU 25 -1.962 -6.624 -1.069 163 HD11 LEU 25 1HD1 LEU 25 -2.156 -5.852 1.091 164 HD12 LEU 25 2HD1 LEU 25 -2.661 -4.439 0.165 165 HD13 LEU 25 3HD1 LEU 25 -1.030 -4.520 0.831 166 HD21 LEU 25 1HD2 LEU 25 -0.674 -4.105 -2.068 167 HD22 LEU 25 2HD2 LEU 25 -2.428 -4.279 -1.988 168 HD23 LEU 25 3HD2 LEU 25 -1.476 -5.379 -2.987 169 H GLN 26 H GLN 26 2.740 -6.824 -3.098 170 HA GLN 26 HA GLN 26 4.513 -7.856 -1.013 171 HB2 GLN 26 1HB GLN 26 4.574 -8.796 -3.886 172 HB3 GLN 26 2HB GLN 26 5.756 -9.213 -2.652 173 HG2 GLN 26 1HG GLN 26 4.135 -10.444 -1.411 174 HG3 GLN 26 2HG GLN 26 2.830 -9.874 -2.450 175 HE21 GLN 26 1HE2 GLN 26 2.564 -10.768 -4.480 176 HE22 GLN 26 2HE2 GLN 26 3.353 -12.226 -4.964 177 H TRP 27 H TRP 27 5.957 -6.324 -0.631 178 HA TRP 27 HA TRP 27 7.016 -4.790 -2.912 179 HB2 TRP 27 1HB TRP 27 7.200 -2.830 -1.392 180 HB3 TRP 27 2HB TRP 27 5.534 -3.334 -1.666 181 HD1 TRP 27 HD TRP 27 8.219 -3.222 1.061 182 HE1 TRP 27 1HE TRP 27 7.087 -3.584 3.344 183 HE3 TRP 27 3HE TRP 27 3.511 -4.402 -0.546 184 HZ2 TRP 27 2HZ TRP 27 4.536 -4.279 4.332 185 HZ3 TRP 27 3HZ TRP 27 1.783 -4.903 1.132 186 HH2 TRP 27 HH TRP 27 2.287 -4.842 3.520 187 H HIS 28 H HIS 28 9.086 -3.540 -2.094 188 HA HIS 28 HA HIS 28 10.685 -5.236 -0.325 189 HB2 HIS 28 1HB HIS 28 11.230 -4.687 -3.220 190 HB3 HIS 28 2HB HIS 28 12.576 -4.909 -2.108 191 HD1 HIS 28 1HD HIS 28 12.335 -7.267 -0.647 192 HD2 HIS 28 2HD HIS 28 10.363 -7.007 -4.294 193 HE1 HIS 28 1HE HIS 28 11.865 -9.642 -1.327 194 HE2 HIS 28 2HE HIS 28 10.748 -9.463 -3.577 195 HA PRO 29 HA PRO 29 12.360 -1.467 1.167 196 HB2 PRO 29 1HB PRO 29 14.908 -2.185 1.767 197 HB3 PRO 29 2HB PRO 29 13.513 -2.715 2.714 198 HG2 PRO 29 1HG PRO 29 15.030 -4.183 0.592 199 HG3 PRO 29 2HG PRO 29 14.427 -4.777 2.150 200 HD2 PRO 29 1HD PRO 29 13.144 -5.255 -0.186 201 HD3 PRO 29 2HD PRO 29 12.283 -5.063 1.355 202 HA PRO 30 HA PRO 30 14.241 0.465 -2.363 203 HB2 PRO 30 1HB PRO 30 14.564 2.922 -1.253 204 HB3 PRO 30 2HB PRO 30 12.999 2.317 -1.810 205 HG2 PRO 30 1HG PRO 30 14.119 2.401 0.965 206 HG3 PRO 30 2HG PRO 30 12.484 2.797 0.407 207 HD2 PRO 30 1HD PRO 30 13.093 0.430 1.571 208 HD3 PRO 30 2HD PRO 30 11.842 0.585 0.320 209 H LYS 31 H LYS 31 16.236 1.671 -2.877 210 HA LYS 31 HA LYS 31 18.429 0.857 -1.092 211 HB2 LYS 31 1HB LYS 31 18.160 0.111 -3.623 212 HB3 LYS 31 2HB LYS 31 18.914 1.671 -3.922 213 HG2 LYS 31 1HG LYS 31 20.191 -0.105 -1.923 214 HG3 LYS 31 2HG LYS 31 20.321 -0.552 -3.626 215 HD2 LYS 31 1HD LYS 31 21.610 1.261 -4.144 216 HD3 LYS 31 2HD LYS 31 20.886 2.270 -2.890 217 HE2 LYS 31 1HE LYS 31 23.005 1.908 -2.049 218 HE3 LYS 31 2HE LYS 31 22.078 0.634 -1.259 219 HZ1 LYS 31 1HZ LYS 31 24.115 0.434 -3.340 220 HZ2 LYS 31 2HZ LYS 31 22.833 -0.667 -3.414 221 HZ3 LYS 31 3HZ LYS 31 23.803 -0.590 -2.030 222 H GLU 32 H GLU 32 16.790 3.546 -2.405 223 HA GLU 32 HA GLU 32 19.006 5.386 -2.089 224 HB2 GLU 32 1HB GLU 32 16.213 6.353 -2.447 225 HB3 GLU 32 2HB GLU 32 17.707 6.952 -3.154 226 HG2 GLU 32 1HG GLU 32 16.686 6.036 -4.982 227 HG3 GLU 32 2HG GLU 32 17.679 4.685 -4.438 228 H LEU 33 H LEU 33 17.267 3.825 0.087 229 HA LEU 33 HA LEU 33 16.362 5.953 1.782 230 HB2 LEU 33 1HB LEU 33 15.307 3.758 1.828 231 HB3 LEU 33 2HB LEU 33 16.822 3.029 2.356 232 HG LEU 33 HG LEU 33 15.606 5.157 4.049 233 HD11 LEU 33 1HD1 LEU 33 14.509 2.996 5.176 234 HD12 LEU 33 2HD1 LEU 33 14.407 2.517 3.483 235 HD13 LEU 33 3HD1 LEU 33 13.653 4.017 4.021 236 HD21 LEU 33 1HD2 LEU 33 17.209 4.478 5.420 237 HD22 LEU 33 2HD2 LEU 33 17.731 3.292 4.224 238 HD23 LEU 33 3HD2 LEU 33 16.526 2.852 5.435 239 HA PRO 34 HA PRO 34 20.475 6.790 3.336 240 HB2 PRO 34 1HB PRO 34 19.725 8.875 4.904 241 HB3 PRO 34 2HB PRO 34 19.936 9.016 3.155 242 HG2 PRO 34 1HG PRO 34 17.419 8.670 4.738 243 HG3 PRO 34 2HG PRO 34 17.735 9.738 3.357 244 HD2 PRO 34 1HD PRO 34 16.426 7.381 3.106 245 HD3 PRO 34 2HD PRO 34 17.457 8.042 1.821 246 H GLY 35 H GLY 35 20.795 4.943 4.603 247 HA2 GLY 35 1HA GLY 35 21.392 4.702 7.030 248 HA3 GLY 35 2HA GLY 35 19.709 5.098 7.347 249 H GLU 36 H GLU 36 18.383 3.444 7.671 250 HA GLU 36 HA GLU 36 18.742 0.955 6.225 251 HB2 GLU 36 1HB GLU 36 18.986 -0.456 8.110 252 HB3 GLU 36 2HB GLU 36 20.165 0.830 8.320 253 HG2 GLU 36 1HG GLU 36 18.185 1.928 9.684 254 HG3 GLU 36 2HG GLU 36 17.702 0.242 9.858 255 H LEU 37 H LEU 37 16.912 -0.458 6.376 256 HA LEU 37 HA LEU 37 14.440 0.969 6.584 257 HB2 LEU 37 1HB LEU 37 14.893 -0.790 4.896 258 HB3 LEU 37 2HB LEU 37 14.901 -1.985 6.192 259 HG LEU 37 HG LEU 37 12.477 -0.981 6.614 260 HD11 LEU 37 1HD1 LEU 37 13.249 0.254 4.185 261 HD12 LEU 37 2HD1 LEU 37 11.697 0.339 5.018 262 HD13 LEU 37 3HD1 LEU 37 11.987 -0.922 3.819 263 HD21 LEU 37 1HD2 LEU 37 12.355 -3.201 6.278 264 HD22 LEU 37 2HD2 LEU 37 13.535 -3.174 4.967 265 HD23 LEU 37 3HD2 LEU 37 11.855 -2.738 4.651 266 H LEU 38 H LEU 38 13.211 1.202 8.325 267 HA LEU 38 HA LEU 38 13.539 -0.710 10.543 268 HB2 LEU 38 1HB LEU 38 12.780 2.199 10.751 269 HB3 LEU 38 2HB LEU 38 13.047 1.082 12.087 270 HG LEU 38 HG LEU 38 15.246 1.751 10.158 271 HD11 LEU 38 1HD1 LEU 38 14.654 3.897 10.884 272 HD12 LEU 38 2HD1 LEU 38 15.959 3.404 11.962 273 HD13 LEU 38 3HD1 LEU 38 14.286 3.341 12.516 274 HD21 LEU 38 1HD2 LEU 38 15.091 0.674 12.963 275 HD22 LEU 38 2HD2 LEU 38 16.590 1.260 12.242 276 HD23 LEU 38 3HD2 LEU 38 15.744 -0.113 11.526 277 H GLY 39 H GLY 39 11.407 0.710 8.304 278 HA2 GLY 39 1HA GLY 39 9.273 -0.954 8.769 279 HA3 GLY 39 2HA GLY 39 8.987 0.433 9.809 280 H TYR 40 H TYR 40 7.064 0.137 8.119 281 HA TYR 40 HA TYR 40 7.249 2.415 6.398 282 HB2 TYR 40 1HB TYR 40 6.393 0.778 4.435 283 HB3 TYR 40 2HB TYR 40 8.080 1.240 4.639 284 HD1 TYR 40 1HD TYR 40 6.075 -1.192 6.619 285 HD2 TYR 40 2HD TYR 40 9.272 -0.615 3.872 286 HE1 TYR 40 1HE TYR 40 6.690 -3.563 6.847 287 HE2 TYR 40 2HE TYR 40 9.896 -2.984 4.091 288 HH TYR 40 HH TYR 40 9.629 -4.834 5.510 289 H ARG 41 H ARG 41 5.212 3.069 5.565 290 HA ARG 41 HA ARG 41 2.950 1.804 6.953 291 HB2 ARG 41 1HB ARG 41 3.169 4.058 7.661 292 HB3 ARG 41 2HB ARG 41 3.425 4.627 6.017 293 HG2 ARG 41 1HG ARG 41 1.038 3.778 5.577 294 HG3 ARG 41 2HG ARG 41 0.882 3.767 7.335 295 HD2 ARG 41 1HD ARG 41 1.919 6.198 5.937 296 HD3 ARG 41 2HD ARG 41 0.186 5.879 5.978 297 HE ARG 41 HE ARG 41 1.223 5.660 8.579 298 HH11 ARG 41 2HH1 ARG 41 0.582 8.058 6.137 299 HH12 ARG 41 1HH1 ARG 41 0.340 9.341 7.275 300 HH21 ARG 41 2HH2 ARG 41 0.907 7.342 10.087 301 HH22 ARG 41 1HH2 ARG 41 0.526 8.933 9.522 302 H LEU 42 H LEU 42 0.994 1.450 5.861 303 HA LEU 42 HA LEU 42 1.189 1.513 2.921 304 HB2 LEU 42 1HB LEU 42 1.234 -0.752 4.265 305 HB3 LEU 42 2HB LEU 42 -0.509 -0.499 4.314 306 HG LEU 42 HG LEU 42 1.216 -0.851 1.867 307 HD11 LEU 42 1HD1 LEU 42 0.469 -2.837 3.317 308 HD12 LEU 42 2HD1 LEU 42 0.163 -2.905 1.582 309 HD13 LEU 42 3HD1 LEU 42 -1.146 -2.499 2.692 310 HD21 LEU 42 1HD2 LEU 42 -0.312 0.647 1.050 311 HD22 LEU 42 2HD2 LEU 42 -1.562 0.171 2.200 312 HD23 LEU 42 3HD2 LEU 42 -1.194 -0.863 0.819 313 H GLN 43 H GLN 43 -0.418 2.491 1.856 314 HA GLN 43 HA GLN 43 -2.948 2.989 3.264 315 HB2 GLN 43 1HB GLN 43 -1.586 5.070 1.559 316 HB3 GLN 43 2HB GLN 43 -3.006 5.274 2.576 317 HG2 GLN 43 1HG GLN 43 -1.537 4.769 4.548 318 HG3 GLN 43 2HG GLN 43 -0.161 4.868 3.450 319 HE21 GLN 43 1HE2 GLN 43 -2.593 6.616 5.160 320 HE22 GLN 43 2HE2 GLN 43 -2.003 8.201 4.810 321 H TYR 44 H TYR 44 -4.593 2.233 2.124 322 HA TYR 44 HA TYR 44 -4.625 2.545 -0.773 323 HB2 TYR 44 1HB TYR 44 -5.195 0.203 -1.170 324 HB3 TYR 44 2HB TYR 44 -3.617 0.328 -0.400 325 HD1 TYR 44 1HD TYR 44 -7.215 -0.145 0.490 326 HD2 TYR 44 2HD TYR 44 -3.158 -1.035 1.411 327 HE1 TYR 44 1HE TYR 44 -7.961 -1.688 2.254 328 HE2 TYR 44 2HE TYR 44 -3.892 -2.582 3.177 329 HH TYR 44 HH TYR 44 -7.109 -2.695 4.299 330 H CYS 45 H CYS 45 -6.632 2.874 -1.588 331 HA CYS 45 HA CYS 45 -8.991 2.161 -0.067 332 HB2 CYS 45 1HB CYS 45 -9.859 4.536 -0.179 333 HB3 CYS 45 2HB CYS 45 -8.569 4.254 0.985 334 HG CYS 45 HG CYS 45 -8.178 5.712 -2.088 335 H ARG 46 H ARG 46 -11.011 2.989 -1.281 336 HA ARG 46 HA ARG 46 -10.847 2.013 -3.948 337 HB2 ARG 46 1HB ARG 46 -13.012 3.148 -2.228 338 HB3 ARG 46 2HB ARG 46 -13.288 3.007 -3.959 339 HG2 ARG 46 1HG ARG 46 -12.507 0.556 -3.624 340 HG3 ARG 46 2HG ARG 46 -12.885 0.859 -1.928 341 HD2 ARG 46 1HD ARG 46 -14.798 1.288 -4.219 342 HD3 ARG 46 2HD ARG 46 -14.760 -0.152 -3.202 343 HE ARG 46 HE ARG 46 -15.901 2.388 -2.549 344 HH11 ARG 46 2HH1 ARG 46 -14.393 -0.456 -1.222 345 HH12 ARG 46 1HH1 ARG 46 -15.137 -0.283 0.334 346 HH21 ARG 46 2HH2 ARG 46 -16.886 2.626 -0.506 347 HH22 ARG 46 1HH2 ARG 46 -16.556 1.469 0.739 348 H ALA 47 H ALA 47 -11.645 3.207 -5.854 349 HA ALA 47 HA ALA 47 -10.228 5.671 -6.149 350 HB1 ALA 47 1HB ALA 47 -10.176 4.824 -8.207 351 HB2 ALA 47 2HB ALA 47 -11.536 3.749 -7.883 352 HB3 ALA 47 3HB ALA 47 -11.828 5.413 -8.388 353 H ASP 48 H ASP 48 -13.093 5.060 -4.705 354 HA ASP 48 HA ASP 48 -14.199 7.685 -5.464 355 HB2 ASP 48 1HB ASP 48 -15.510 5.489 -6.031 356 HB3 ASP 48 2HB ASP 48 -15.917 5.512 -4.317 357 H GLU 49 H GLU 49 -12.430 6.384 -3.185 358 HA GLU 49 HA GLU 49 -13.943 7.151 -0.836 359 HB2 GLU 49 1HB GLU 49 -11.337 5.822 -1.365 360 HB3 GLU 49 2HB GLU 49 -11.498 6.691 0.155 361 HG2 GLU 49 1HG GLU 49 -13.339 4.512 -0.805 362 HG3 GLU 49 2HG GLU 49 -12.037 4.310 0.366 363 H ALA 50 H ALA 50 -12.917 8.613 0.793 364 HA ALA 50 HA ALA 50 -11.730 10.940 -0.571 365 HB1 ALA 50 1HB ALA 50 -13.169 12.273 0.487 366 HB2 ALA 50 2HB ALA 50 -14.056 10.806 0.905 367 HB3 ALA 50 3HB ALA 50 -12.886 11.482 2.038 368 H ARG 51 H ARG 51 -11.331 8.620 1.947 369 HA ARG 51 HA ARG 51 -8.768 9.860 2.651 370 HB2 ARG 51 1HB ARG 51 -11.017 9.188 4.476 371 HB3 ARG 51 2HB ARG 51 -9.388 8.842 5.042 372 HG2 ARG 51 1HG ARG 51 -9.660 10.958 5.842 373 HG3 ARG 51 2HG ARG 51 -8.942 11.311 4.269 374 HD2 ARG 51 1HD ARG 51 -11.246 11.579 3.358 375 HD3 ARG 51 2HD ARG 51 -11.866 11.396 4.998 376 HE ARG 51 HE ARG 51 -9.895 13.471 4.728 377 HH11 ARG 51 2HH1 ARG 51 -13.275 12.677 4.473 378 HH12 ARG 51 1HH1 ARG 51 -13.810 14.307 4.716 379 HH21 ARG 51 2HH2 ARG 51 -10.587 15.621 5.049 380 HH22 ARG 51 1HH2 ARG 51 -12.280 15.980 5.043 381 HA PRO 52 HA PRO 52 -7.430 5.723 1.758 382 HB2 PRO 52 1HB PRO 52 -4.830 6.085 2.450 383 HB3 PRO 52 2HB PRO 52 -5.515 6.693 0.938 384 HG2 PRO 52 1HG PRO 52 -4.997 8.148 3.503 385 HG3 PRO 52 2HG PRO 52 -4.695 8.674 1.837 386 HD2 PRO 52 1HD PRO 52 -6.851 9.494 3.256 387 HD3 PRO 52 2HD PRO 52 -6.894 9.275 1.494 388 H ASN 53 H ASN 53 -6.661 3.875 2.881 389 HA ASN 53 HA ASN 53 -7.175 3.986 5.747 390 HB2 ASN 53 1HB ASN 53 -6.767 1.640 3.881 391 HB3 ASN 53 2HB ASN 53 -7.136 1.502 5.597 392 HD21 ASN 53 1HD2 ASN 53 -8.396 1.737 2.502 393 HD22 ASN 53 2HD2 ASN 53 -10.050 2.015 2.918 394 H THR 54 H THR 54 -5.385 4.778 6.747 395 HA THR 54 HA THR 54 -2.723 4.106 6.029 396 HB THR 54 HB THR 54 -3.545 5.093 8.753 397 HG1 THR 54 1HG THR 54 -3.917 7.050 7.931 398 HG21 THR 54 1HG2 THR 54 -1.068 4.635 7.464 399 HG22 THR 54 2HG2 THR 54 -1.354 5.368 9.042 400 HG23 THR 54 3HG2 THR 54 -1.269 6.381 7.601 401 H ILE 55 H ILE 55 -1.353 2.572 6.791 402 HA ILE 55 HA ILE 55 -2.199 0.878 9.017 403 HB ILE 55 HB ILE 55 -1.417 -0.233 6.319 404 HG12 ILE 55 1HG1 ILE 55 -4.006 -0.740 7.754 405 HG13 ILE 55 2HG1 ILE 55 -3.810 0.695 6.755 406 HG21 ILE 55 1HG2 ILE 55 -0.539 -1.811 7.709 407 HG22 ILE 55 2HG2 ILE 55 -1.654 -1.437 9.022 408 HG23 ILE 55 3HG2 ILE 55 -2.205 -2.386 7.641 409 HD11 ILE 55 1HD1 ILE 55 -3.677 -0.521 4.807 410 HD12 ILE 55 2HD1 ILE 55 -3.169 -1.993 5.636 411 HD13 ILE 55 3HD1 ILE 55 -4.843 -1.451 5.746 412 H ASP 56 H ASP 56 -0.534 0.020 10.192 413 HA ASP 56 HA ASP 56 2.139 0.996 9.504 414 HB2 ASP 56 1HB ASP 56 1.169 1.515 11.750 415 HB3 ASP 56 2HB ASP 56 1.184 -0.209 12.108 416 H PHE 57 H PHE 57 3.807 -0.318 9.032 417 HA PHE 57 HA PHE 57 3.456 -3.211 9.404 418 HB2 PHE 57 1HB PHE 57 4.144 -1.743 6.877 419 HB3 PHE 57 2HB PHE 57 4.720 -3.387 7.133 420 HD1 PHE 57 1HD PHE 57 2.941 -5.157 7.725 421 HD2 PHE 57 2HD PHE 57 2.042 -1.376 5.988 422 HE1 PHE 57 1HE PHE 57 0.784 -6.037 6.934 423 HE2 PHE 57 2HE PHE 57 -0.117 -2.250 5.195 424 HZ PHE 57 HZ PHE 57 -0.749 -4.583 5.668 425 H GLY 58 H GLY 58 5.339 -4.390 9.773 426 HA2 GLY 58 1HA GLY 58 7.593 -2.763 10.683 427 HA3 GLY 58 2HA GLY 58 7.306 -4.451 11.078 428 H LYS 59 H LYS 59 9.752 -3.202 10.126 429 HA LYS 59 HA LYS 59 10.426 -3.409 7.524 430 HB2 LYS 59 1HB LYS 59 12.649 -3.818 8.172 431 HB3 LYS 59 2HB LYS 59 11.939 -2.972 9.541 432 HG2 LYS 59 1HG LYS 59 11.544 -5.231 10.584 433 HG3 LYS 59 2HG LYS 59 12.544 -5.905 9.295 434 HD2 LYS 59 1HD LYS 59 14.151 -5.575 10.883 435 HD3 LYS 59 2HD LYS 59 14.204 -3.999 10.091 436 HE2 LYS 59 1HE LYS 59 12.549 -3.203 11.810 437 HE3 LYS 59 2HE LYS 59 12.799 -4.731 12.653 438 HZ1 LYS 59 1HZ LYS 59 14.748 -4.046 13.456 439 HZ2 LYS 59 2HZ LYS 59 14.249 -2.485 13.036 440 HZ3 LYS 59 3HZ LYS 59 15.242 -3.366 11.987 441 H ASP 60 H ASP 60 9.504 -6.031 9.603 442 HA ASP 60 HA ASP 60 10.469 -8.126 7.904 443 HB2 ASP 60 1HB ASP 60 8.719 -7.987 10.329 444 HB3 ASP 60 2HB ASP 60 8.742 -9.464 9.370 445 H ASP 61 H ASP 61 7.353 -6.538 8.416 446 HA ASP 61 HA ASP 61 5.853 -8.213 6.701 447 HB2 ASP 61 1HB ASP 61 5.446 -5.535 7.952 448 HB3 ASP 61 2HB ASP 61 4.390 -5.997 6.620 449 H GLN 62 H GLN 62 6.948 -8.490 4.762 450 HA GLN 62 HA GLN 62 7.475 -6.119 3.134 451 HB2 GLN 62 1HB GLN 62 8.301 -9.003 2.934 452 HB3 GLN 62 2HB GLN 62 8.467 -7.914 1.563 453 HG2 GLN 62 1HG GLN 62 9.892 -6.447 2.895 454 HG3 GLN 62 2HG GLN 62 9.724 -7.536 4.271 455 HE21 GLN 62 1HE2 GLN 62 11.014 -7.193 1.035 456 HE22 GLN 62 2HE2 GLN 62 12.193 -8.449 1.164 457 H HIS 63 H HIS 63 4.989 -8.238 3.671 458 HA HIS 63 HA HIS 63 3.676 -7.452 1.206 459 HB2 HIS 63 1HB HIS 63 2.905 -9.957 1.001 460 HB3 HIS 63 2HB HIS 63 4.431 -9.436 0.292 461 HD1 HIS 63 1HD HIS 63 6.355 -10.878 0.850 462 HD2 HIS 63 2HD HIS 63 3.377 -11.097 3.739 463 HE1 HIS 63 1HE HIS 63 7.150 -12.595 2.506 464 HE2 HIS 63 2HE HIS 63 5.293 -12.773 4.198 465 H PHE 64 H PHE 64 1.344 -8.267 1.213 466 HA PHE 64 HA PHE 64 0.239 -8.809 3.835 467 HB2 PHE 64 1HB PHE 64 0.551 -6.290 3.658 468 HB3 PHE 64 2HB PHE 64 -0.667 -6.322 2.387 469 HD1 PHE 64 2HD PHE 64 -0.217 -7.640 5.851 470 HD2 PHE 64 1HD PHE 64 -2.810 -5.823 3.008 471 HE1 PHE 64 2HE PHE 64 -1.989 -7.515 7.553 472 HE2 PHE 64 1HE PHE 64 -4.587 -5.694 4.705 473 HZ PHE 64 HZ PHE 64 -4.178 -6.542 6.981 474 H THR 65 H THR 65 -1.786 -9.723 3.760 475 HA THR 65 HA THR 65 -2.766 -10.374 1.069 476 HB THR 65 HB THR 65 -3.474 -11.748 3.665 477 HG1 THR 65 1HG THR 65 -1.965 -13.345 2.927 478 HG21 THR 65 1HG2 THR 65 -4.819 -13.084 2.469 479 HG22 THR 65 2HG2 THR 65 -3.637 -13.250 1.171 480 HG23 THR 65 3HG2 THR 65 -4.717 -11.857 1.208 481 H VAL 66 H VAL 66 -4.349 -9.078 0.404 482 HA VAL 66 HA VAL 66 -6.289 -8.067 2.364 483 HB VAL 66 HB VAL 66 -5.918 -7.143 -0.486 484 HG11 VAL 66 1HG1 VAL 66 -7.457 -6.094 1.872 485 HG12 VAL 66 2HG1 VAL 66 -7.048 -5.082 0.486 486 HG13 VAL 66 3HG1 VAL 66 -8.056 -6.513 0.268 487 HG21 VAL 66 1HG2 VAL 66 -3.957 -6.329 0.246 488 HG22 VAL 66 2HG2 VAL 66 -4.952 -5.126 1.067 489 HG23 VAL 66 3HG2 VAL 66 -4.385 -6.548 1.943 490 H THR 67 H THR 67 -8.247 -8.932 2.451 491 HA THR 67 HA THR 67 -9.312 -10.272 0.052 492 HB THR 67 HB THR 67 -10.353 -11.972 1.446 493 HG1 THR 67 1HG THR 67 -9.329 -10.362 3.510 494 HG21 THR 67 1HG2 THR 67 -7.592 -12.062 2.507 495 HG22 THR 67 2HG2 THR 67 -7.757 -11.923 0.757 496 HG23 THR 67 3HG2 THR 67 -8.501 -13.276 1.608 497 H GLY 68 H GLY 68 -11.589 -10.235 -0.205 498 HA2 GLY 68 1HA GLY 68 -13.781 -9.558 0.358 499 HA3 GLY 68 2HA GLY 68 -13.116 -8.552 1.637 500 H LEU 69 H LEU 69 -11.369 -8.162 -1.199 501 HA LEU 69 HA LEU 69 -12.143 -5.470 -1.517 502 HB2 LEU 69 1HB LEU 69 -10.583 -7.352 -3.266 503 HB3 LEU 69 2HB LEU 69 -10.852 -5.662 -3.689 504 HG LEU 69 HG LEU 69 -9.494 -6.512 -1.139 505 HD11 LEU 69 1HD1 LEU 69 -8.505 -6.829 -3.755 506 HD12 LEU 69 2HD1 LEU 69 -7.625 -6.976 -2.234 507 HD13 LEU 69 3HD1 LEU 69 -7.690 -5.424 -3.068 508 HD21 LEU 69 1HD2 LEU 69 -8.527 -4.143 -1.524 509 HD22 LEU 69 2HD2 LEU 69 -10.167 -4.307 -0.894 510 HD23 LEU 69 3HD2 LEU 69 -9.910 -3.932 -2.598 511 H HIS 70 H HIS 70 -13.769 -4.572 -2.600 512 HA HIS 70 HA HIS 70 -15.844 -6.042 -3.743 513 HB2 HIS 70 1HB HIS 70 -15.068 -3.168 -3.708 514 HB3 HIS 70 2HB HIS 70 -16.273 -3.670 -4.891 515 HD1 HIS 70 1HD HIS 70 -18.261 -2.545 -3.798 516 HD2 HIS 70 2HD HIS 70 -16.228 -5.108 -1.237 517 HE1 HIS 70 1HE HIS 70 -19.724 -2.763 -1.763 518 HE2 HIS 70 2HE HIS 70 -18.433 -4.250 -0.193 519 H LYS 71 H LYS 71 -15.988 -7.092 -5.603 520 HA LYS 71 HA LYS 71 -13.944 -7.055 -7.553 521 HB2 LYS 71 1HB LYS 71 -15.450 -8.489 -8.868 522 HB3 LYS 71 2HB LYS 71 -15.335 -9.023 -7.196 523 HG2 LYS 71 1HG LYS 71 -17.492 -8.394 -6.704 524 HG3 LYS 71 2HG LYS 71 -17.556 -7.205 -8.007 525 HD2 LYS 71 1HD LYS 71 -18.888 -8.896 -8.844 526 HD3 LYS 71 2HD LYS 71 -17.320 -9.291 -9.551 527 HE2 LYS 71 1HE LYS 71 -18.111 -11.332 -8.733 528 HE3 LYS 71 2HE LYS 71 -16.979 -10.781 -7.499 529 HZ1 LYS 71 1HZ LYS 71 -18.648 -11.135 -6.088 530 HZ2 LYS 71 2HZ LYS 71 -19.809 -11.223 -7.314 531 HZ3 LYS 71 3HZ LYS 71 -19.341 -9.718 -6.700 532 H GLY 72 H GLY 72 -13.946 -6.271 -9.682 533 HA2 GLY 72 1HA GLY 72 -14.367 -4.756 -11.355 534 HA3 GLY 72 2HA GLY 72 -16.053 -4.822 -10.861 535 H THR 73 H THR 73 -13.451 -3.824 -8.737 536 HA THR 73 HA THR 73 -14.369 -1.036 -8.961 537 HB THR 73 HB THR 73 -13.941 -2.624 -6.434 538 HG1 THR 73 1HG THR 73 -16.096 -1.129 -7.539 539 HG21 THR 73 1HG2 THR 73 -13.864 0.338 -6.878 540 HG22 THR 73 2HG2 THR 73 -12.820 -0.667 -5.873 541 HG23 THR 73 3HG2 THR 73 -14.471 -0.321 -5.360 542 H THR 74 H THR 74 -12.777 0.378 -9.263 543 HA THR 74 HA THR 74 -10.053 -0.491 -9.352 544 HB THR 74 HB THR 74 -11.117 2.331 -9.568 545 HG1 THR 74 1HG THR 74 -10.536 0.479 -11.656 546 HG21 THR 74 1HG2 THR 74 -9.062 2.891 -10.597 547 HG22 THR 74 2HG2 THR 74 -8.587 1.199 -10.743 548 HG23 THR 74 3HG2 THR 74 -8.635 1.968 -9.157 549 H TYR 75 H TYR 75 -8.397 -0.087 -7.966 550 HA TYR 75 HA TYR 75 -9.036 1.399 -5.503 551 HB2 TYR 75 1HB TYR 75 -7.734 -1.280 -5.847 552 HB3 TYR 75 2HB TYR 75 -7.319 -0.278 -4.461 553 HD1 TYR 75 2HD TYR 75 -10.000 -2.185 -6.098 554 HD2 TYR 75 1HD TYR 75 -8.891 0.079 -2.671 555 HE1 TYR 75 2HE TYR 75 -11.995 -3.007 -4.917 556 HE2 TYR 75 1HE TYR 75 -10.882 -0.737 -1.480 557 HH TYR 75 HH TYR 75 -13.244 -1.640 -2.245 558 H ILE 76 H ILE 76 -7.044 2.103 -4.312 559 HA ILE 76 HA ILE 76 -4.790 2.647 -6.115 560 HB ILE 76 HB ILE 76 -5.900 4.757 -4.275 561 HG12 ILE 76 1HG1 ILE 76 -6.282 4.872 -7.240 562 HG13 ILE 76 2HG1 ILE 76 -7.402 3.916 -6.276 563 HG21 ILE 76 1HG2 ILE 76 -4.452 6.245 -5.395 564 HG22 ILE 76 2HG2 ILE 76 -3.493 4.805 -5.060 565 HG23 ILE 76 3HG2 ILE 76 -4.128 5.084 -6.681 566 HD11 ILE 76 1HD1 ILE 76 -8.369 5.734 -5.357 567 HD12 ILE 76 2HD1 ILE 76 -6.871 6.666 -5.347 568 HD13 ILE 76 3HD1 ILE 76 -7.790 6.487 -6.842 569 H PHE 77 H PHE 77 -3.236 1.480 -5.146 570 HA PHE 77 HA PHE 77 -2.994 1.490 -2.243 571 HB2 PHE 77 1HB PHE 77 -1.647 -0.075 -4.437 572 HB3 PHE 77 2HB PHE 77 -1.064 -0.119 -2.776 573 HD1 PHE 77 2HD PHE 77 -2.402 -1.143 -1.015 574 HD2 PHE 77 1HD PHE 77 -3.689 -1.155 -5.072 575 HE1 PHE 77 2HE PHE 77 -4.046 -2.894 -0.485 576 HE2 PHE 77 1HE PHE 77 -5.336 -2.906 -4.548 577 HZ PHE 77 HZ PHE 77 -5.516 -3.779 -2.252 578 H ARG 78 H ARG 78 -1.186 2.222 -1.124 579 HA ARG 78 HA ARG 78 0.898 3.622 -2.608 580 HB2 ARG 78 1HB ARG 78 -1.118 4.919 -0.831 581 HB3 ARG 78 2HB ARG 78 0.533 5.522 -0.797 582 HG2 ARG 78 1HG ARG 78 0.462 6.074 -3.112 583 HG3 ARG 78 2HG ARG 78 -1.085 5.249 -3.316 584 HD2 ARG 78 1HD ARG 78 -1.858 6.936 -1.455 585 HD3 ARG 78 2HD ARG 78 -0.479 7.870 -2.034 586 HE ARG 78 HE ARG 78 -1.955 7.112 -4.262 587 HH11 ARG 78 2HH1 ARG 78 -2.366 9.074 -1.416 588 HH12 ARG 78 1HH1 ARG 78 -3.485 10.162 -2.168 589 HH21 ARG 78 2HH2 ARG 78 -3.428 8.536 -5.264 590 HH22 ARG 78 1HH2 ARG 78 -4.090 9.854 -4.357 591 H LEU 79 H LEU 79 2.820 3.186 -1.753 592 HA LEU 79 HA LEU 79 2.952 2.427 1.091 593 HB2 LEU 79 1HB LEU 79 3.239 0.546 -0.573 594 HB3 LEU 79 2HB LEU 79 4.732 1.337 -1.077 595 HG LEU 79 HG LEU 79 5.603 1.062 1.227 596 HD11 LEU 79 1HD1 LEU 79 2.872 0.277 1.713 597 HD12 LEU 79 2HD1 LEU 79 4.154 0.664 2.860 598 HD13 LEU 79 3HD1 LEU 79 3.998 -0.977 2.233 599 HD21 LEU 79 1HD2 LEU 79 6.390 -0.565 -0.221 600 HD22 LEU 79 2HD2 LEU 79 4.797 -1.290 -0.438 601 HD23 LEU 79 3HD2 LEU 79 5.674 -1.523 1.075 602 H ALA 80 H ALA 80 5.010 2.834 2.140 603 HA ALA 80 HA ALA 80 6.846 4.656 0.818 604 HB1 ALA 80 1HB ALA 80 6.652 6.376 2.560 605 HB2 ALA 80 2HB ALA 80 5.152 6.180 1.652 606 HB3 ALA 80 3HB ALA 80 5.301 5.491 3.269 607 H ALA 81 H ALA 81 8.861 4.810 1.833 608 HA ALA 81 HA ALA 81 9.423 2.627 3.679 609 HB1 ALA 81 1HB ALA 81 10.921 4.104 1.665 610 HB2 ALA 81 2HB ALA 81 11.829 3.846 3.155 611 HB3 ALA 81 3HB ALA 81 11.157 2.469 2.281 612 H LYS 82 H LYS 82 10.484 2.887 5.660 613 HA LYS 82 HA LYS 82 10.505 5.629 6.737 614 HB2 LYS 82 1HB LYS 82 8.603 4.047 7.512 615 HB3 LYS 82 2HB LYS 82 9.860 3.234 8.435 616 HG2 LYS 82 1HG LYS 82 10.346 5.710 9.245 617 HG3 LYS 82 2HG LYS 82 8.643 5.907 8.825 618 HD2 LYS 82 1HD LYS 82 9.488 3.572 10.485 619 HD3 LYS 82 2HD LYS 82 9.332 5.162 11.236 620 HE2 LYS 82 1HE LYS 82 7.233 4.196 11.542 621 HE3 LYS 82 2HE LYS 82 7.015 5.230 10.131 622 HZ1 LYS 82 1HZ LYS 82 6.417 3.476 8.947 623 HZ2 LYS 82 2HZ LYS 82 6.527 2.504 10.327 624 HZ3 LYS 82 3HZ LYS 82 7.863 2.674 9.304 625 H ASN 83 H ASN 83 12.482 6.223 7.304 626 HA ASN 83 HA ASN 83 14.358 4.153 8.243 627 HB2 ASN 83 1HB ASN 83 16.174 5.616 7.370 628 HB3 ASN 83 2HB ASN 83 15.093 5.030 6.108 629 HD21 ASN 83 1HD2 ASN 83 16.246 6.924 5.075 630 HD22 ASN 83 2HD2 ASN 83 15.460 8.458 5.193 631 H ARG 84 H ARG 84 16.299 5.411 9.414 632 HA ARG 84 HA ARG 84 15.448 6.142 11.907 633 HB2 ARG 84 1HB ARG 84 17.940 6.873 10.388 634 HB3 ARG 84 2HB ARG 84 17.688 7.409 12.043 635 HG2 ARG 84 1HG ARG 84 17.494 4.516 11.291 636 HG3 ARG 84 2HG ARG 84 19.041 5.278 11.663 637 HD2 ARG 84 1HD ARG 84 16.650 5.307 13.497 638 HD3 ARG 84 2HD ARG 84 17.962 4.133 13.600 639 HE ARG 84 HE ARG 84 19.234 6.527 13.705 640 HH11 ARG 84 2HH1 ARG 84 16.612 5.102 15.497 641 HH12 ARG 84 1HH1 ARG 84 16.975 5.957 16.960 642 HH21 ARG 84 2HH2 ARG 84 19.722 7.659 15.625 643 HH22 ARG 84 1HH2 ARG 84 18.743 7.412 17.031 644 H ALA 85 H ALA 85 15.897 8.221 9.099 645 HA ALA 85 HA ALA 85 15.423 10.662 10.510 646 HB1 ALA 85 1HB ALA 85 16.673 10.339 8.296 647 HB2 ALA 85 2HB ALA 85 15.074 10.316 7.552 648 HB3 ALA 85 3HB ALA 85 15.609 11.738 8.447 649 H GLY 86 H GLY 86 13.423 8.252 9.025 650 HA2 GLY 86 1HA GLY 86 11.084 8.372 9.986 651 HA3 GLY 86 2HA GLY 86 11.072 10.010 9.350 652 H LEU 87 H LEU 87 9.151 9.308 8.191 653 HA LEU 87 HA LEU 87 9.412 7.330 6.121 654 HB2 LEU 87 1HB LEU 87 7.239 9.381 6.499 655 HB3 LEU 87 2HB LEU 87 7.153 7.916 5.524 656 HG LEU 87 HG LEU 87 7.653 7.662 8.452 657 HD11 LEU 87 1HD1 LEU 87 5.537 9.184 7.580 658 HD12 LEU 87 2HD1 LEU 87 5.633 8.329 9.119 659 HD13 LEU 87 3HD1 LEU 87 4.833 7.575 7.740 660 HD21 LEU 87 1HD2 LEU 87 7.642 5.773 6.723 661 HD22 LEU 87 2HD2 LEU 87 5.894 6.004 6.674 662 HD23 LEU 87 3HD2 LEU 87 6.682 5.553 8.186 663 H GLY 88 H GLY 88 9.348 7.695 3.871 664 HA2 GLY 88 1HA GLY 88 10.171 10.419 3.069 665 HA3 GLY 88 2HA GLY 88 10.898 8.969 2.392 666 H GLU 89 H GLU 89 10.348 9.385 0.276 667 HA GLU 89 HA GLU 89 7.872 10.257 -0.657 668 HB2 GLU 89 1HB GLU 89 10.098 8.679 -1.906 669 HB3 GLU 89 2HB GLU 89 8.613 8.978 -2.798 670 HG2 GLU 89 1HG GLU 89 9.970 11.293 -1.533 671 HG3 GLU 89 2HG GLU 89 10.695 10.583 -2.974 672 H GLU 90 H GLU 90 6.484 8.842 -2.186 673 HA GLU 90 HA GLU 90 6.055 6.166 -1.078 674 HB2 GLU 90 1HB GLU 90 3.618 6.576 -0.941 675 HB3 GLU 90 2HB GLU 90 4.538 7.572 0.178 676 HG2 GLU 90 1HG GLU 90 4.054 9.507 -0.919 677 HG3 GLU 90 2HG GLU 90 3.884 8.710 -2.482 678 H PHE 91 H PHE 91 5.130 4.696 -2.493 679 HA PHE 91 HA PHE 91 5.190 5.510 -5.297 680 HB2 PHE 91 1HB PHE 91 6.498 3.526 -4.569 681 HB3 PHE 91 2HB PHE 91 4.993 2.734 -4.113 682 HD1 PHE 91 2HD PHE 91 3.220 2.485 -5.986 683 HD2 PHE 91 1HD PHE 91 7.349 3.238 -6.693 684 HE1 PHE 91 2HE PHE 91 2.982 1.620 -8.277 685 HE2 PHE 91 1HE PHE 91 7.117 2.375 -8.986 686 HZ PHE 91 HZ PHE 91 4.932 1.563 -9.780 687 H GLU 92 H GLU 92 3.480 5.252 -6.704 688 HA GLU 92 HA GLU 92 0.877 4.698 -5.441 689 HB2 GLU 92 1HB GLU 92 1.264 7.054 -6.221 690 HB3 GLU 92 2HB GLU 92 1.384 6.432 -7.861 691 HG2 GLU 92 1HG GLU 92 -1.033 5.841 -6.213 692 HG3 GLU 92 2HG GLU 92 -0.859 7.404 -7.009 693 H LYS 93 H LYS 93 -0.580 3.378 -6.475 694 HA LYS 93 HA LYS 93 0.031 2.312 -9.104 695 HB2 LYS 93 1HB LYS 93 1.175 0.950 -7.144 696 HB3 LYS 93 2HB LYS 93 -0.438 0.272 -6.974 697 HG2 LYS 93 1HG LYS 93 0.990 0.317 -9.611 698 HG3 LYS 93 2HG LYS 93 1.217 -0.985 -8.439 699 HD2 LYS 93 1HD LYS 93 -1.204 -1.412 -8.470 700 HD3 LYS 93 2HD LYS 93 -1.406 -0.132 -9.668 701 HE2 LYS 93 1HE LYS 93 0.251 -2.628 -10.030 702 HE3 LYS 93 2HE LYS 93 -1.365 -2.372 -10.686 703 HZ1 LYS 93 1HZ LYS 93 0.481 -0.274 -11.352 704 HZ2 LYS 93 2HZ LYS 93 -0.564 -1.151 -12.352 705 HZ3 LYS 93 3HZ LYS 93 0.953 -1.784 -11.953 706 H GLU 94 H GLU 94 -1.792 2.027 -10.215 707 HA GLU 94 HA GLU 94 -4.320 1.919 -8.712 708 HB2 GLU 94 1HB GLU 94 -3.841 3.874 -10.291 709 HB3 GLU 94 2HB GLU 94 -4.027 2.718 -11.602 710 HG2 GLU 94 1HG GLU 94 -6.292 2.350 -11.100 711 HG3 GLU 94 2HG GLU 94 -6.152 3.129 -9.525 712 H ILE 95 H ILE 95 -5.517 0.138 -8.831 713 HA ILE 95 HA ILE 95 -5.183 -1.656 -11.133 714 HB ILE 95 HB ILE 95 -5.097 -3.611 -9.773 715 HG12 ILE 95 1HG1 ILE 95 -6.614 -2.959 -7.995 716 HG13 ILE 95 2HG1 ILE 95 -5.088 -3.482 -7.292 717 HG21 ILE 95 1HG2 ILE 95 -3.153 -2.328 -8.107 718 HG22 ILE 95 2HG2 ILE 95 -2.907 -3.371 -9.506 719 HG23 ILE 95 3HG2 ILE 95 -3.104 -1.633 -9.726 720 HD11 ILE 95 1HD1 ILE 95 -5.431 -1.610 -6.069 721 HD12 ILE 95 2HD1 ILE 95 -4.579 -0.885 -7.433 722 HD13 ILE 95 3HD1 ILE 95 -6.338 -0.803 -7.348 723 H ARG 96 H ARG 96 -6.925 -3.572 -10.707 724 HA ARG 96 HA ARG 96 -9.417 -2.589 -9.632 725 HB2 ARG 96 1HB ARG 96 -9.401 -1.513 -11.830 726 HB3 ARG 96 2HB ARG 96 -9.122 -3.068 -12.602 727 HG2 ARG 96 1HG ARG 96 -11.320 -3.802 -11.548 728 HG3 ARG 96 2HG ARG 96 -11.593 -2.091 -11.213 729 HD2 ARG 96 1HD ARG 96 -11.090 -1.746 -13.715 730 HD3 ARG 96 2HD ARG 96 -11.360 -3.482 -13.859 731 HE ARG 96 HE ARG 96 -13.542 -2.500 -12.502 732 HH11 ARG 96 2HH1 ARG 96 -12.037 -1.952 -15.593 733 HH12 ARG 96 1HH1 ARG 96 -13.518 -1.530 -16.386 734 HH21 ARG 96 2HH2 ARG 96 -15.499 -1.946 -13.535 735 HH22 ARG 96 1HH2 ARG 96 -15.487 -1.526 -15.214 736 H THR 97 H THR 97 -10.324 -4.271 -8.669 737 HA THR 97 HA THR 97 -9.436 -6.904 -8.890 738 HB THR 97 HB THR 97 -11.655 -7.492 -7.773 739 HG1 THR 97 1HG THR 97 -11.911 -4.661 -7.615 740 HG21 THR 97 1HG2 THR 97 -10.769 -5.505 -5.942 741 HG22 THR 97 2HG2 THR 97 -9.358 -6.127 -6.799 742 HG23 THR 97 3HG2 THR 97 -10.426 -7.234 -5.935 743 HA PRO 98 HA PRO 98 -11.364 -8.475 -12.519 744 HB2 PRO 98 1HB PRO 98 -11.506 -11.105 -11.858 745 HB3 PRO 98 2HB PRO 98 -9.990 -10.302 -12.284 746 HG2 PRO 98 1HG PRO 98 -11.094 -10.949 -9.578 747 HG3 PRO 98 2HG PRO 98 -9.436 -11.123 -10.181 748 HD2 PRO 98 1HD PRO 98 -10.211 -9.045 -8.628 749 HD3 PRO 98 2HD PRO 98 -8.956 -8.890 -9.874 750 H GLU 99 H GLU 99 -13.438 -7.949 -12.882 751 HA GLU 99 HA GLU 99 -15.528 -8.653 -11.020 752 HB2 GLU 99 1HB GLU 99 -17.006 -7.553 -12.756 753 HB3 GLU 99 2HB GLU 99 -15.769 -6.528 -12.042 754 HG2 GLU 99 1HG GLU 99 -14.581 -6.368 -13.974 755 HG3 GLU 99 2HG GLU 99 -15.104 -7.947 -14.558 756 H ASP 100 H ASP 100 -16.948 -10.288 -11.175 757 HA ASP 100 HA ASP 100 -16.548 -12.625 -12.400 758 HB2 ASP 100 1HB ASP 100 -18.825 -13.171 -12.092 759 HB3 ASP 100 2HB ASP 100 -18.481 -11.957 -10.862 760 H LEU 101 H LEU 101 -18.348 -9.948 -13.899 761 HA LEU 101 HA LEU 101 -19.193 -10.949 -16.237 762 HB2 LEU 101 1HB LEU 101 -19.142 -8.520 -15.427 763 HB3 LEU 101 2HB LEU 101 -17.579 -8.418 -16.236 764 HG LEU 101 HG LEU 101 -19.358 -7.495 -17.621 765 HD11 LEU 101 1HD1 LEU 101 -17.367 -8.939 -18.500 766 HD12 LEU 101 2HD1 LEU 101 -18.648 -8.426 -19.597 767 HD13 LEU 101 3HD1 LEU 101 -18.645 -10.067 -18.952 768 HD21 LEU 101 1HD2 LEU 101 -20.851 -9.646 -16.632 769 HD22 LEU 101 2HD2 LEU 101 -20.666 -9.947 -18.360 770 HD23 LEU 101 3HD2 LEU 101 -21.365 -8.427 -17.799 771 H SER 102 H SER 102 -15.920 -9.548 -15.983 772 HA SER 102 HA SER 102 -15.080 -10.863 -18.397 773 HB2 SER 102 1HB SER 102 -14.192 -8.656 -17.854 774 HB3 SER 102 2HB SER 102 -13.509 -9.276 -16.351 775 HG SER 102 HG SER 102 -11.860 -9.981 -17.435 776 H GLY 103 H GLY 103 -14.014 -12.739 -18.615 777 HA2 GLY 103 1HA GLY 103 -12.171 -14.073 -17.382 778 HA3 GLY 103 2HA GLY 103 -13.416 -14.232 -16.153 779 HA PRO 104 HA PRO 104 -13.795 -17.941 -18.833 780 HB2 PRO 104 1HB PRO 104 -14.423 -19.614 -16.789 781 HB3 PRO 104 2HB PRO 104 -12.757 -19.214 -17.226 782 HG2 PRO 104 1HG PRO 104 -14.466 -18.085 -15.042 783 HG3 PRO 104 2HG PRO 104 -12.759 -18.562 -14.993 784 HD2 PRO 104 1HD PRO 104 -13.544 -15.983 -15.241 785 HD3 PRO 104 2HD PRO 104 -12.053 -16.602 -15.979 786 H SER 105 H SER 105 -15.651 -18.176 -19.892 787 HA SER 105 HA SER 105 -18.084 -17.095 -19.253 788 HB2 SER 105 1HB SER 105 -17.206 -18.360 -21.412 789 HB3 SER 105 2HB SER 105 -18.090 -19.710 -20.699 790 HG SER 105 HG SER 105 -19.206 -17.141 -21.149 791 H SER 106 H SER 106 -16.988 -20.405 -18.571 792 HA SER 106 HA SER 106 -19.388 -21.198 -17.274 793 HB2 SER 106 1HB SER 106 -17.956 -22.903 -18.177 794 HB3 SER 106 2HB SER 106 -16.588 -22.341 -17.215 795 HG SER 106 HG SER 106 -17.361 -23.339 -15.510 796 H GLY 107 H GLY 107 -20.103 -20.645 -15.330 797 HA2 GLY 107 1HA GLY 107 -18.630 -18.990 -13.569 798 HA3 GLY 107 2HA GLY 107 -20.163 -19.770 -13.207 Start of MODEL 5 1 H1 GLY 1 H GLY 1 12.895 23.477 4.679 2 HA2 GLY 1 1HA GLY 1 14.902 22.362 3.702 3 HA3 GLY 1 2HA GLY 1 13.910 20.915 3.607 4 H SER 2 H SER 2 13.567 24.338 2.656 5 HA SER 2 HA SER 2 11.811 24.208 0.641 6 HB2 SER 2 1HB SER 2 13.074 26.254 1.342 7 HB3 SER 2 2HB SER 2 14.433 25.695 0.368 8 HG SER 2 HG SER 2 12.477 27.153 -0.466 9 H SER 3 H SER 3 15.300 23.830 -0.010 10 HA SER 3 HA SER 3 14.606 22.297 -2.417 11 HB2 SER 3 1HB SER 3 16.068 24.315 -2.668 12 HB3 SER 3 2HB SER 3 17.281 23.506 -1.677 13 HG SER 3 HG SER 3 17.857 22.395 -3.357 14 H GLY 4 H GLY 4 15.299 20.231 -2.731 15 HA2 GLY 4 1HA GLY 4 16.917 18.465 -2.225 16 HA3 GLY 4 2HA GLY 4 16.889 19.018 -0.557 17 H SER 5 H SER 5 16.523 16.415 -0.888 18 HA SER 5 HA SER 5 13.634 16.057 -0.440 19 HB2 SER 5 1HB SER 5 14.245 15.095 -2.618 20 HB3 SER 5 2HB SER 5 15.490 14.116 -1.842 21 HG SER 5 HG SER 5 13.596 13.342 -0.511 22 H SER 6 H SER 6 13.774 16.092 1.778 23 HA SER 6 HA SER 6 15.709 14.475 3.178 24 HB2 SER 6 1HB SER 6 14.778 16.713 3.983 25 HB3 SER 6 2HB SER 6 13.303 15.837 4.391 26 HG SER 6 HG SER 6 15.005 14.384 5.509 27 H GLY 7 H GLY 7 15.476 12.348 3.344 28 HA2 GLY 7 1HA GLY 7 14.071 10.680 4.588 29 HA3 GLY 7 2HA GLY 7 12.739 11.264 3.602 30 HA PRO 8 HA PRO 8 14.974 7.602 1.604 31 HB2 PRO 8 1HB PRO 8 12.963 5.795 1.852 32 HB3 PRO 8 2HB PRO 8 14.218 6.009 3.078 33 HG2 PRO 8 1HG PRO 8 11.427 7.089 3.016 34 HG3 PRO 8 2HG PRO 8 12.321 6.377 4.372 35 HD2 PRO 8 1HD PRO 8 12.031 9.051 4.062 36 HD3 PRO 8 2HD PRO 8 13.475 8.326 4.798 37 H GLY 9 H GLY 9 14.075 6.301 -0.288 38 HA2 GLY 9 1HA GLY 9 12.589 8.136 -1.985 39 HA3 GLY 9 2HA GLY 9 13.411 6.670 -2.500 40 H ARG 10 H ARG 10 11.487 6.250 -3.762 41 HA ARG 10 HA ARG 10 9.115 5.493 -2.228 42 HB2 ARG 10 1HB ARG 10 8.060 5.229 -4.474 43 HB3 ARG 10 2HB ARG 10 8.660 6.851 -4.158 44 HG2 ARG 10 1HG ARG 10 10.655 6.368 -5.494 45 HG3 ARG 10 2HG ARG 10 10.029 4.752 -5.825 46 HD2 ARG 10 1HD ARG 10 8.257 5.581 -7.115 47 HD3 ARG 10 2HD ARG 10 8.447 7.215 -6.481 48 HE ARG 10 HE ARG 10 9.805 6.079 -8.712 49 HH11 ARG 10 2HH1 ARG 10 10.145 8.341 -6.088 50 HH12 ARG 10 1HH1 ARG 10 11.328 9.309 -6.903 51 HH21 ARG 10 2HH2 ARG 10 11.363 7.345 -9.796 52 HH22 ARG 10 1HH2 ARG 10 12.020 8.742 -9.013 53 HA PRO 11 HA PRO 11 10.432 1.252 -2.316 54 HB2 PRO 11 1HB PRO 11 8.163 0.212 -1.248 55 HB3 PRO 11 2HB PRO 11 9.382 1.052 -0.282 56 HG2 PRO 11 1HG PRO 11 6.790 2.079 -1.372 57 HG3 PRO 11 2HG PRO 11 7.508 2.329 0.231 58 HD2 PRO 11 1HD PRO 11 7.638 4.192 -1.730 59 HD3 PRO 11 2HD PRO 11 8.922 3.986 -0.522 60 H THR 12 H THR 12 9.915 -0.680 -3.421 61 HA THR 12 HA THR 12 8.261 -0.254 -5.785 62 HB THR 12 HB THR 12 10.187 -2.479 -5.089 63 HG1 THR 12 1HG THR 12 10.423 -0.543 -7.151 64 HG21 THR 12 1HG2 THR 12 9.031 -3.664 -6.608 65 HG22 THR 12 2HG2 THR 12 9.772 -2.591 -7.796 66 HG23 THR 12 3HG2 THR 12 8.156 -2.245 -7.183 67 H MET 13 H MET 13 6.153 -0.600 -5.316 68 HA MET 13 HA MET 13 5.398 -2.951 -3.755 69 HB2 MET 13 1HB MET 13 4.389 -0.700 -3.285 70 HB3 MET 13 2HB MET 13 3.611 -0.780 -4.861 71 HG2 MET 13 1HG MET 13 2.230 -2.554 -4.217 72 HG3 MET 13 2HG MET 13 3.216 -2.921 -2.803 73 HE1 MET 13 1HE MET 13 2.401 0.862 -3.634 74 HE2 MET 13 2HE MET 13 1.178 -0.076 -4.489 75 HE3 MET 13 3HE MET 13 0.715 0.938 -3.122 76 H MET 14 H MET 14 4.291 -4.670 -4.566 77 HA MET 14 HA MET 14 3.595 -4.612 -7.424 78 HB2 MET 14 1HB MET 14 4.890 -6.943 -6.002 79 HB3 MET 14 2HB MET 14 4.455 -6.866 -7.704 80 HG2 MET 14 1HG MET 14 6.074 -5.015 -7.985 81 HG3 MET 14 2HG MET 14 6.560 -5.234 -6.306 82 HE1 MET 14 1HE MET 14 8.382 -7.720 -5.672 83 HE2 MET 14 2HE MET 14 9.538 -6.983 -6.782 84 HE3 MET 14 3HE MET 14 8.435 -5.967 -5.853 85 H ILE 15 H ILE 15 1.446 -4.747 -7.471 86 HA ILE 15 HA ILE 15 0.061 -6.419 -5.507 87 HB ILE 15 HB ILE 15 -1.090 -4.468 -7.506 88 HG12 ILE 15 1HG1 ILE 15 -1.057 -4.033 -4.544 89 HG13 ILE 15 2HG1 ILE 15 0.392 -3.676 -5.477 90 HG21 ILE 15 1HG2 ILE 15 -2.961 -4.775 -5.568 91 HG22 ILE 15 2HG2 ILE 15 -2.950 -5.657 -7.094 92 HG23 ILE 15 3HG2 ILE 15 -2.279 -6.399 -5.642 93 HD11 ILE 15 1HD1 ILE 15 -1.415 -2.380 -6.960 94 HD12 ILE 15 2HD1 ILE 15 -2.196 -2.277 -5.382 95 HD13 ILE 15 3HD1 ILE 15 -0.564 -1.646 -5.602 96 H SER 16 H SER 16 -0.750 -8.343 -6.015 97 HA SER 16 HA SER 16 -1.377 -8.953 -8.811 98 HB2 SER 16 1HB SER 16 0.626 -10.341 -7.086 99 HB3 SER 16 2HB SER 16 -0.343 -11.318 -8.189 100 HG SER 16 HG SER 16 0.854 -8.999 -9.186 101 H THR 17 H THR 17 -3.283 -9.927 -9.020 102 HA THR 17 HA THR 17 -4.740 -10.701 -6.635 103 HB THR 17 HB THR 17 -6.655 -11.030 -8.190 104 HG1 THR 17 1HG THR 17 -5.120 -9.847 -10.235 105 HG21 THR 17 1HG2 THR 17 -5.905 -8.777 -7.147 106 HG22 THR 17 2HG2 THR 17 -7.111 -8.761 -8.433 107 HG23 THR 17 3HG2 THR 17 -5.432 -8.361 -8.793 108 H THR 18 H THR 18 -5.311 -12.730 -6.053 109 HA THR 18 HA THR 18 -4.513 -14.937 -7.835 110 HB THR 18 HB THR 18 -3.825 -16.251 -5.890 111 HG1 THR 18 1HG THR 18 -3.962 -13.948 -4.267 112 HG21 THR 18 1HG2 THR 18 -1.730 -15.354 -5.754 113 HG22 THR 18 2HG2 THR 18 -2.329 -13.718 -5.476 114 HG23 THR 18 3HG2 THR 18 -2.345 -14.399 -7.102 115 H ALA 19 H ALA 19 -6.305 -14.395 -4.793 116 HA ALA 19 HA ALA 19 -8.254 -16.408 -5.607 117 HB1 ALA 19 1HB ALA 19 -8.814 -15.126 -3.078 118 HB2 ALA 19 2HB ALA 19 -8.489 -16.823 -3.435 119 HB3 ALA 19 3HB ALA 19 -7.151 -15.708 -3.154 120 H MET 20 H MET 20 -10.599 -15.884 -5.057 121 HA MET 20 HA MET 20 -11.416 -13.670 -6.629 122 HB2 MET 20 1HB MET 20 -13.003 -15.455 -4.775 123 HB3 MET 20 2HB MET 20 -13.709 -14.297 -5.895 124 HG2 MET 20 1HG MET 20 -13.100 -15.531 -7.758 125 HG3 MET 20 2HG MET 20 -11.860 -16.425 -6.882 126 HE1 MET 20 1HE MET 20 -11.897 -18.394 -6.430 127 HE2 MET 20 2HE MET 20 -13.050 -19.155 -5.334 128 HE3 MET 20 3HE MET 20 -13.135 -19.477 -7.067 129 H ASN 21 H ASN 21 -11.594 -11.612 -6.061 130 HA ASN 21 HA ASN 21 -11.866 -9.716 -4.832 131 HB2 ASN 21 1HB ASN 21 -13.062 -11.398 -2.635 132 HB3 ASN 21 2HB ASN 21 -13.400 -9.714 -3.028 133 HD21 ASN 21 1HD2 ASN 21 -15.429 -9.598 -3.662 134 HD22 ASN 21 2HD2 ASN 21 -16.195 -10.639 -4.808 135 H THR 22 H THR 22 -9.433 -11.200 -4.649 136 HA THR 22 HA THR 22 -8.476 -10.175 -2.077 137 HB THR 22 HB THR 22 -7.161 -12.144 -1.610 138 HG1 THR 22 1HG THR 22 -7.541 -12.662 -4.186 139 HG21 THR 22 1HG2 THR 22 -9.391 -12.202 -0.702 140 HG22 THR 22 2HG2 THR 22 -8.972 -13.822 -1.260 141 HG23 THR 22 3HG2 THR 22 -10.041 -12.806 -2.226 142 H ALA 23 H ALA 23 -6.716 -8.964 -2.322 143 HA ALA 23 HA ALA 23 -5.099 -9.329 -4.761 144 HB1 ALA 23 1HB ALA 23 -5.146 -6.704 -3.365 145 HB2 ALA 23 2HB ALA 23 -4.943 -7.073 -5.078 146 HB3 ALA 23 3HB ALA 23 -6.543 -7.159 -4.341 147 H LEU 24 H LEU 24 -3.124 -10.058 -4.369 148 HA LEU 24 HA LEU 24 -2.020 -10.062 -1.718 149 HB2 LEU 24 1HB LEU 24 -1.702 -11.937 -3.262 150 HB3 LEU 24 2HB LEU 24 -0.796 -10.886 -4.348 151 HG LEU 24 HG LEU 24 0.996 -10.696 -2.752 152 HD11 LEU 24 1HD1 LEU 24 0.360 -10.726 -0.603 153 HD12 LEU 24 2HD1 LEU 24 0.588 -12.469 -0.735 154 HD13 LEU 24 3HD1 LEU 24 -1.022 -11.774 -0.920 155 HD21 LEU 24 1HD2 LEU 24 0.028 -13.482 -3.315 156 HD22 LEU 24 2HD2 LEU 24 1.565 -13.175 -2.506 157 HD23 LEU 24 3HD2 LEU 24 1.288 -12.562 -4.137 158 H LEU 25 H LEU 25 -0.389 -8.842 -0.898 159 HA LEU 25 HA LEU 25 0.606 -6.654 -2.603 160 HB2 LEU 25 1HB LEU 25 0.166 -6.697 0.379 161 HB3 LEU 25 2HB LEU 25 0.872 -5.358 -0.522 162 HG LEU 25 HG LEU 25 -1.949 -6.377 -0.853 163 HD11 LEU 25 1HD1 LEU 25 -0.860 -4.798 1.193 164 HD12 LEU 25 2HD1 LEU 25 -2.563 -5.072 0.829 165 HD13 LEU 25 3HD1 LEU 25 -1.722 -3.692 0.122 166 HD21 LEU 25 1HD2 LEU 25 -1.148 -5.408 -2.896 167 HD22 LEU 25 2HD2 LEU 25 -0.485 -4.020 -2.032 168 HD23 LEU 25 3HD2 LEU 25 -2.232 -4.255 -2.117 169 H GLN 26 H GLN 26 2.704 -6.686 -3.034 170 HA GLN 26 HA GLN 26 4.562 -7.791 -1.058 171 HB2 GLN 26 1HB GLN 26 4.708 -8.491 -3.992 172 HB3 GLN 26 2HB GLN 26 5.734 -9.104 -2.702 173 HG2 GLN 26 1HG GLN 26 3.455 -9.950 -1.720 174 HG3 GLN 26 2HG GLN 26 2.932 -9.813 -3.398 175 HE21 GLN 26 1HE2 GLN 26 3.815 -12.008 -1.312 176 HE22 GLN 26 2HE2 GLN 26 4.715 -13.098 -2.305 177 H TRP 27 H TRP 27 6.011 -6.279 -0.623 178 HA TRP 27 HA TRP 27 7.000 -4.597 -2.826 179 HB2 TRP 27 1HB TRP 27 7.110 -2.686 -1.253 180 HB3 TRP 27 2HB TRP 27 5.461 -3.245 -1.519 181 HD1 TRP 27 HD TRP 27 8.210 -3.223 1.164 182 HE1 TRP 27 1HE TRP 27 7.114 -3.649 3.454 183 HE3 TRP 27 3HE TRP 27 3.453 -4.263 -0.394 184 HZ2 TRP 27 2HZ TRP 27 4.570 -4.337 4.466 185 HZ3 TRP 27 3HZ TRP 27 1.748 -4.796 1.298 186 HH2 TRP 27 HH TRP 27 2.297 -4.832 3.677 187 H HIS 28 H HIS 28 9.120 -3.591 -2.354 188 HA HIS 28 HA HIS 28 10.732 -5.221 -0.506 189 HB2 HIS 28 1HB HIS 28 11.222 -4.552 -3.384 190 HB3 HIS 28 2HB HIS 28 12.593 -4.780 -2.303 191 HD1 HIS 28 1HD HIS 28 12.940 -7.178 -1.325 192 HD2 HIS 28 2HD HIS 28 9.883 -6.868 -4.122 193 HE1 HIS 28 1HE HIS 28 12.385 -9.542 -1.980 194 HE2 HIS 28 2HE HIS 28 10.592 -9.326 -3.735 195 HA PRO 29 HA PRO 29 12.351 -1.484 1.125 196 HB2 PRO 29 1HB PRO 29 14.905 -2.198 1.706 197 HB3 PRO 29 2HB PRO 29 13.513 -2.774 2.631 198 HG2 PRO 29 1HG PRO 29 15.048 -4.154 0.463 199 HG3 PRO 29 2HG PRO 29 14.448 -4.807 1.998 200 HD2 PRO 29 1HD PRO 29 13.174 -5.216 -0.356 201 HD3 PRO 29 2HD PRO 29 12.308 -5.085 1.188 202 HA PRO 30 HA PRO 30 14.213 0.566 -2.354 203 HB2 PRO 30 1HB PRO 30 14.448 3.007 -1.189 204 HB3 PRO 30 2HB PRO 30 12.910 2.370 -1.784 205 HG2 PRO 30 1HG PRO 30 13.983 2.429 1.010 206 HG3 PRO 30 2HG PRO 30 12.346 2.790 0.433 207 HD2 PRO 30 1HD PRO 30 13.004 0.417 1.560 208 HD3 PRO 30 2HD PRO 30 11.769 0.563 0.292 209 H LYS 31 H LYS 31 16.217 1.544 -2.925 210 HA LYS 31 HA LYS 31 18.389 0.842 -1.091 211 HB2 LYS 31 1HB LYS 31 18.353 -0.030 -3.456 212 HB3 LYS 31 2HB LYS 31 18.595 1.624 -4.001 213 HG2 LYS 31 1HG LYS 31 20.740 0.812 -4.014 214 HG3 LYS 31 2HG LYS 31 20.658 1.557 -2.416 215 HD2 LYS 31 1HD LYS 31 20.274 -0.578 -1.380 216 HD3 LYS 31 2HD LYS 31 20.142 -1.366 -2.954 217 HE2 LYS 31 1HE LYS 31 22.470 -0.867 -3.425 218 HE3 LYS 31 2HE LYS 31 22.613 0.006 -1.900 219 HZ1 LYS 31 1HZ LYS 31 21.665 -2.448 -1.181 220 HZ2 LYS 31 2HZ LYS 31 23.267 -1.923 -1.044 221 HZ3 LYS 31 3HZ LYS 31 22.779 -2.803 -2.404 222 H GLU 32 H GLU 32 16.734 3.546 -2.367 223 HA GLU 32 HA GLU 32 18.915 5.407 -1.962 224 HB2 GLU 32 1HB GLU 32 16.011 6.019 -2.521 225 HB3 GLU 32 2HB GLU 32 17.378 7.108 -2.709 226 HG2 GLU 32 1HG GLU 32 17.401 4.569 -4.242 227 HG3 GLU 32 2HG GLU 32 16.300 5.845 -4.758 228 H LEU 33 H LEU 33 17.425 3.748 0.210 229 HA LEU 33 HA LEU 33 16.407 5.835 1.941 230 HB2 LEU 33 1HB LEU 33 15.323 3.656 1.909 231 HB3 LEU 33 2HB LEU 33 16.827 2.887 2.412 232 HG LEU 33 HG LEU 33 15.636 4.967 4.181 233 HD11 LEU 33 1HD1 LEU 33 14.028 2.940 3.283 234 HD12 LEU 33 2HD1 LEU 33 13.846 3.793 4.815 235 HD13 LEU 33 3HD1 LEU 33 14.716 2.260 4.758 236 HD21 LEU 33 1HD2 LEU 33 16.465 2.859 5.697 237 HD22 LEU 33 2HD2 LEU 33 17.456 4.257 5.278 238 HD23 LEU 33 3HD2 LEU 33 17.573 2.776 4.326 239 HA PRO 34 HA PRO 34 20.556 6.537 3.498 240 HB2 PRO 34 1HB PRO 34 19.874 8.676 5.025 241 HB3 PRO 34 2HB PRO 34 20.117 8.782 3.277 242 HG2 PRO 34 1HG PRO 34 17.563 8.568 4.825 243 HG3 PRO 34 2HG PRO 34 17.946 9.600 3.435 244 HD2 PRO 34 1HD PRO 34 16.540 7.298 3.197 245 HD3 PRO 34 2HD PRO 34 17.618 7.895 1.919 246 H GLY 35 H GLY 35 20.797 4.711 4.802 247 HA2 GLY 35 1HA GLY 35 21.329 4.515 7.259 248 HA3 GLY 35 2HA GLY 35 19.637 4.921 7.512 249 H GLU 36 H GLU 36 18.394 3.242 7.962 250 HA GLU 36 HA GLU 36 18.738 0.747 6.502 251 HB2 GLU 36 1HB GLU 36 20.011 -0.024 8.232 252 HB3 GLU 36 2HB GLU 36 19.316 1.104 9.388 253 HG2 GLU 36 1HG GLU 36 17.383 -0.250 9.670 254 HG3 GLU 36 2HG GLU 36 17.844 -1.290 8.323 255 H LEU 37 H LEU 37 16.888 -0.551 6.453 256 HA LEU 37 HA LEU 37 14.427 0.831 6.666 257 HB2 LEU 37 1HB LEU 37 14.916 -0.988 5.048 258 HB3 LEU 37 2HB LEU 37 14.879 -2.136 6.385 259 HG LEU 37 HG LEU 37 12.456 -1.130 6.718 260 HD11 LEU 37 1HD1 LEU 37 11.680 -0.980 4.153 261 HD12 LEU 37 2HD1 LEU 37 13.278 -0.244 4.028 262 HD13 LEU 37 3HD1 LEU 37 12.081 0.430 5.134 263 HD21 LEU 37 1HD2 LEU 37 11.953 -3.230 6.213 264 HD22 LEU 37 2HD2 LEU 37 13.564 -3.431 5.523 265 HD23 LEU 37 3HD2 LEU 37 12.224 -2.914 4.499 266 H LEU 38 H LEU 38 13.250 1.191 8.417 267 HA LEU 38 HA LEU 38 13.518 -0.652 10.699 268 HB2 LEU 38 1HB LEU 38 12.698 2.246 10.755 269 HB3 LEU 38 2HB LEU 38 12.952 1.198 12.148 270 HG LEU 38 HG LEU 38 15.149 1.937 10.226 271 HD11 LEU 38 1HD1 LEU 38 14.859 4.016 11.049 272 HD12 LEU 38 2HD1 LEU 38 15.721 3.352 12.436 273 HD13 LEU 38 3HD1 LEU 38 13.960 3.453 12.458 274 HD21 LEU 38 1HD2 LEU 38 16.388 1.417 12.503 275 HD22 LEU 38 2HD2 LEU 38 15.958 0.136 11.368 276 HD23 LEU 38 3HD2 LEU 38 14.948 0.438 12.783 277 H GLY 39 H GLY 39 11.334 0.960 8.529 278 HA2 GLY 39 1HA GLY 39 9.239 -0.839 8.922 279 HA3 GLY 39 2HA GLY 39 8.929 0.546 9.958 280 H TYR 40 H TYR 40 7.035 0.176 8.217 281 HA TYR 40 HA TYR 40 7.175 2.478 6.526 282 HB2 TYR 40 1HB TYR 40 6.427 0.839 4.524 283 HB3 TYR 40 2HB TYR 40 8.091 1.353 4.775 284 HD1 TYR 40 1HD TYR 40 6.024 -1.209 6.538 285 HD2 TYR 40 2HD TYR 40 9.458 -0.412 4.155 286 HE1 TYR 40 1HE TYR 40 6.712 -3.561 6.752 287 HE2 TYR 40 2HE TYR 40 10.154 -2.762 4.361 288 HH TYR 40 HH TYR 40 9.798 -4.695 5.484 289 H ARG 41 H ARG 41 5.139 3.090 5.688 290 HA ARG 41 HA ARG 41 2.891 1.714 6.993 291 HB2 ARG 41 1HB ARG 41 3.031 3.966 7.743 292 HB3 ARG 41 2HB ARG 41 3.275 4.570 6.109 293 HG2 ARG 41 1HG ARG 41 0.927 3.642 5.635 294 HG3 ARG 41 2HG ARG 41 0.759 3.581 7.391 295 HD2 ARG 41 1HD ARG 41 1.635 6.070 5.956 296 HD3 ARG 41 2HD ARG 41 -0.068 5.682 6.197 297 HE ARG 41 HE ARG 41 0.954 5.485 8.687 298 HH11 ARG 41 2HH1 ARG 41 1.117 7.954 6.238 299 HH12 ARG 41 1HH1 ARG 41 1.237 9.257 7.375 300 HH21 ARG 41 2HH2 ARG 41 1.112 7.191 10.193 301 HH22 ARG 41 1HH2 ARG 41 1.235 8.821 9.624 302 H LEU 42 H LEU 42 0.944 1.374 5.849 303 HA LEU 42 HA LEU 42 1.228 1.447 2.917 304 HB2 LEU 42 1HB LEU 42 1.246 -0.822 4.239 305 HB3 LEU 42 2HB LEU 42 -0.498 -0.573 4.271 306 HG LEU 42 HG LEU 42 1.283 -1.035 1.895 307 HD11 LEU 42 1HD1 LEU 42 -0.271 -2.848 1.459 308 HD12 LEU 42 2HD1 LEU 42 -1.236 -2.383 2.860 309 HD13 LEU 42 3HD1 LEU 42 0.404 -2.991 3.082 310 HD21 LEU 42 1HD2 LEU 42 -0.995 -0.754 0.656 311 HD22 LEU 42 2HD2 LEU 42 -0.003 0.661 1.012 312 HD23 LEU 42 3HD2 LEU 42 -1.394 0.281 2.027 313 H GLN 43 H GLN 43 -0.211 2.695 1.939 314 HA GLN 43 HA GLN 43 -2.820 3.120 3.240 315 HB2 GLN 43 1HB GLN 43 -1.003 5.079 1.864 316 HB3 GLN 43 2HB GLN 43 -2.730 5.384 1.996 317 HG2 GLN 43 1HG GLN 43 -2.545 5.192 4.446 318 HG3 GLN 43 2HG GLN 43 -0.803 4.985 4.272 319 HE21 GLN 43 1HE2 GLN 43 -2.928 7.134 5.222 320 HE22 GLN 43 2HE2 GLN 43 -2.195 8.605 4.691 321 H TYR 44 H TYR 44 -4.459 2.366 2.089 322 HA TYR 44 HA TYR 44 -4.482 2.670 -0.802 323 HB2 TYR 44 1HB TYR 44 -4.926 0.344 -1.264 324 HB3 TYR 44 2HB TYR 44 -3.416 0.457 -0.367 325 HD1 TYR 44 1HD TYR 44 -7.071 -0.048 0.225 326 HD2 TYR 44 2HD TYR 44 -3.094 -0.959 1.432 327 HE1 TYR 44 1HE TYR 44 -7.946 -1.640 1.883 328 HE2 TYR 44 2HE TYR 44 -3.958 -2.555 3.093 329 HH TYR 44 HH TYR 44 -5.973 -3.020 4.323 330 H CYS 45 H CYS 45 -6.489 3.001 -1.598 331 HA CYS 45 HA CYS 45 -8.835 2.198 -0.098 332 HB2 CYS 45 1HB CYS 45 -9.766 4.517 -0.089 333 HB3 CYS 45 2HB CYS 45 -8.380 4.306 0.974 334 HG CYS 45 HG CYS 45 -6.647 5.358 -1.163 335 H ARG 46 H ARG 46 -10.872 2.918 -1.294 336 HA ARG 46 HA ARG 46 -10.729 1.985 -3.950 337 HB2 ARG 46 1HB ARG 46 -12.871 3.263 -2.288 338 HB3 ARG 46 2HB ARG 46 -13.134 3.012 -4.008 339 HG2 ARG 46 1HG ARG 46 -12.518 0.582 -3.590 340 HG3 ARG 46 2HG ARG 46 -12.683 0.955 -1.873 341 HD2 ARG 46 1HD ARG 46 -14.857 1.578 -3.848 342 HD3 ARG 46 2HD ARG 46 -14.720 -0.008 -3.090 343 HE ARG 46 HE ARG 46 -15.783 2.329 -1.913 344 HH11 ARG 46 2HH1 ARG 46 -13.812 -0.443 -1.175 345 HH12 ARG 46 1HH1 ARG 46 -14.234 -0.460 0.506 346 HH21 ARG 46 2HH2 ARG 46 -16.347 2.318 0.297 347 HH22 ARG 46 1HH2 ARG 46 -15.677 1.111 1.341 348 H ALA 47 H ALA 47 -11.549 3.195 -5.864 349 HA ALA 47 HA ALA 47 -10.028 5.602 -6.199 350 HB1 ALA 47 1HB ALA 47 -11.202 5.541 -8.501 351 HB2 ALA 47 2HB ALA 47 -10.041 4.275 -8.101 352 HB3 ALA 47 3HB ALA 47 -11.771 3.953 -7.988 353 H ASP 48 H ASP 48 -12.958 5.065 -4.810 354 HA ASP 48 HA ASP 48 -13.930 7.749 -5.545 355 HB2 ASP 48 1HB ASP 48 -15.309 5.661 -6.272 356 HB3 ASP 48 2HB ASP 48 -15.773 5.587 -4.574 357 H GLU 49 H GLU 49 -12.267 6.423 -3.262 358 HA GLU 49 HA GLU 49 -13.866 7.043 -0.932 359 HB2 GLU 49 1HB GLU 49 -11.195 5.850 -1.444 360 HB3 GLU 49 2HB GLU 49 -11.418 6.664 0.098 361 HG2 GLU 49 1HG GLU 49 -13.360 4.600 -0.865 362 HG3 GLU 49 2HG GLU 49 -11.874 4.150 -0.030 363 H ALA 50 H ALA 50 -12.891 8.466 0.791 364 HA ALA 50 HA ALA 50 -11.822 10.910 -0.460 365 HB1 ALA 50 1HB ALA 50 -14.139 10.575 1.028 366 HB2 ALA 50 2HB ALA 50 -12.999 11.318 2.151 367 HB3 ALA 50 3HB ALA 50 -13.362 12.104 0.614 368 H ARG 51 H ARG 51 -11.259 8.461 1.864 369 HA ARG 51 HA ARG 51 -8.783 9.799 2.668 370 HB2 ARG 51 1HB ARG 51 -10.943 8.813 4.501 371 HB3 ARG 51 2HB ARG 51 -9.264 8.791 5.026 372 HG2 ARG 51 1HG ARG 51 -9.091 11.173 4.743 373 HG3 ARG 51 2HG ARG 51 -10.713 11.242 4.051 374 HD2 ARG 51 1HD ARG 51 -10.392 10.032 6.746 375 HD3 ARG 51 2HD ARG 51 -10.245 11.784 6.604 376 HE ARG 51 HE ARG 51 -12.498 11.914 6.062 377 HH11 ARG 51 2HH1 ARG 51 -11.466 8.597 6.299 378 HH12 ARG 51 1HH1 ARG 51 -13.077 7.961 6.320 379 HH21 ARG 51 2HH2 ARG 51 -14.624 11.088 6.090 380 HH22 ARG 51 1HH2 ARG 51 -14.873 9.378 6.200 381 HA PRO 52 HA PRO 52 -7.219 5.780 1.658 382 HB2 PRO 52 1HB PRO 52 -4.679 6.188 2.526 383 HB3 PRO 52 2HB PRO 52 -5.299 6.869 1.017 384 HG2 PRO 52 1HG PRO 52 -4.986 8.170 3.695 385 HG3 PRO 52 2HG PRO 52 -4.610 8.815 2.087 386 HD2 PRO 52 1HD PRO 52 -6.874 9.463 3.423 387 HD3 PRO 52 2HD PRO 52 -6.807 9.359 1.652 388 H ASN 53 H ASN 53 -6.483 3.885 2.703 389 HA ASN 53 HA ASN 53 -7.141 3.799 5.539 390 HB2 ASN 53 1HB ASN 53 -6.656 1.643 3.479 391 HB3 ASN 53 2HB ASN 53 -6.917 1.298 5.186 392 HD21 ASN 53 1HD2 ASN 53 -8.368 1.768 2.214 393 HD22 ASN 53 2HD2 ASN 53 -10.005 1.924 2.743 394 H THR 54 H THR 54 -5.429 4.567 6.682 395 HA THR 54 HA THR 54 -2.715 3.985 6.063 396 HB THR 54 HB THR 54 -3.653 4.819 8.796 397 HG1 THR 54 1HG THR 54 -3.699 6.964 7.994 398 HG21 THR 54 1HG2 THR 54 -1.139 4.583 7.479 399 HG22 THR 54 2HG2 THR 54 -1.472 5.122 9.124 400 HG23 THR 54 3HG2 THR 54 -1.438 6.290 7.804 401 H ILE 55 H ILE 55 -1.331 2.483 6.894 402 HA ILE 55 HA ILE 55 -2.252 0.678 8.989 403 HB ILE 55 HB ILE 55 -1.293 -0.385 6.331 404 HG12 ILE 55 1HG1 ILE 55 -4.064 -0.601 7.515 405 HG13 ILE 55 2HG1 ILE 55 -3.615 0.619 6.329 406 HG21 ILE 55 1HG2 ILE 55 -2.603 -2.309 7.977 407 HG22 ILE 55 2HG2 ILE 55 -0.943 -2.305 7.383 408 HG23 ILE 55 3HG2 ILE 55 -1.334 -1.522 8.914 409 HD11 ILE 55 1HD1 ILE 55 -3.687 -2.360 5.966 410 HD12 ILE 55 2HD1 ILE 55 -4.677 -1.141 5.163 411 HD13 ILE 55 3HD1 ILE 55 -2.955 -1.255 4.803 412 H ASP 56 H ASP 56 -0.623 -0.174 10.206 413 HA ASP 56 HA ASP 56 2.055 0.863 9.665 414 HB2 ASP 56 1HB ASP 56 0.939 1.181 11.907 415 HB3 ASP 56 2HB ASP 56 1.089 -0.558 12.150 416 H PHE 57 H PHE 57 3.759 -0.382 9.152 417 HA PHE 57 HA PHE 57 3.498 -3.296 9.377 418 HB2 PHE 57 1HB PHE 57 4.075 -1.702 6.903 419 HB3 PHE 57 2HB PHE 57 4.759 -3.314 7.084 420 HD1 PHE 57 1HD PHE 57 3.070 -5.196 7.701 421 HD2 PHE 57 2HD PHE 57 1.976 -1.457 5.987 422 HE1 PHE 57 1HE PHE 57 0.961 -6.182 6.905 423 HE2 PHE 57 2HE PHE 57 -0.135 -2.437 5.189 424 HZ PHE 57 HZ PHE 57 -0.646 -4.802 5.649 425 H GLY 58 H GLY 58 5.349 -4.369 9.909 426 HA2 GLY 58 1HA GLY 58 7.586 -2.710 10.755 427 HA3 GLY 58 2HA GLY 58 7.346 -4.409 11.132 428 H LYS 59 H LYS 59 9.760 -3.108 10.201 429 HA LYS 59 HA LYS 59 10.399 -3.294 7.567 430 HB2 LYS 59 1HB LYS 59 12.683 -3.787 8.229 431 HB3 LYS 59 2HB LYS 59 11.977 -2.625 9.344 432 HG2 LYS 59 1HG LYS 59 11.711 -4.274 11.029 433 HG3 LYS 59 2HG LYS 59 12.102 -5.576 9.904 434 HD2 LYS 59 1HD LYS 59 14.373 -4.901 9.775 435 HD3 LYS 59 2HD LYS 59 14.036 -3.375 10.596 436 HE2 LYS 59 1HE LYS 59 13.901 -4.362 12.664 437 HE3 LYS 59 2HE LYS 59 13.418 -5.925 12.005 438 HZ1 LYS 59 1HZ LYS 59 15.590 -6.244 12.729 439 HZ2 LYS 59 2HZ LYS 59 16.123 -4.747 12.149 440 HZ3 LYS 59 3HZ LYS 59 15.770 -5.997 11.065 441 H ASP 60 H ASP 60 9.514 -5.885 9.654 442 HA ASP 60 HA ASP 60 10.641 -7.983 8.047 443 HB2 ASP 60 1HB ASP 60 10.063 -8.047 10.567 444 HB3 ASP 60 2HB ASP 60 8.413 -8.355 10.034 445 H ASP 61 H ASP 61 7.481 -6.459 8.399 446 HA ASP 61 HA ASP 61 6.080 -8.261 6.714 447 HB2 ASP 61 1HB ASP 61 5.536 -5.595 7.919 448 HB3 ASP 61 2HB ASP 61 4.553 -6.074 6.538 449 H GLN 62 H GLN 62 7.015 -8.574 4.747 450 HA GLN 62 HA GLN 62 7.570 -6.217 3.090 451 HB2 GLN 62 1HB GLN 62 8.420 -9.102 2.831 452 HB3 GLN 62 2HB GLN 62 8.724 -7.889 1.594 453 HG2 GLN 62 1HG GLN 62 10.018 -6.581 3.219 454 HG3 GLN 62 2HG GLN 62 9.747 -7.839 4.424 455 HE21 GLN 62 1HE2 GLN 62 11.053 -7.333 1.175 456 HE22 GLN 62 2HE2 GLN 62 12.315 -8.505 1.309 457 H HIS 63 H HIS 63 5.033 -8.110 3.706 458 HA HIS 63 HA HIS 63 3.766 -7.515 1.199 459 HB2 HIS 63 1HB HIS 63 3.052 -10.062 1.071 460 HB3 HIS 63 2HB HIS 63 4.523 -9.487 0.293 461 HD1 HIS 63 1HD HIS 63 6.627 -10.652 0.926 462 HD2 HIS 63 2HD HIS 63 3.586 -11.304 3.681 463 HE1 HIS 63 1HE HIS 63 7.539 -12.345 2.546 464 HE2 HIS 63 2HE HIS 63 5.652 -12.787 4.154 465 H PHE 64 H PHE 64 1.450 -8.318 1.205 466 HA PHE 64 HA PHE 64 0.334 -8.895 3.815 467 HB2 PHE 64 1HB PHE 64 0.637 -6.372 3.666 468 HB3 PHE 64 2HB PHE 64 -0.576 -6.396 2.390 469 HD1 PHE 64 2HD PHE 64 -0.143 -7.778 5.832 470 HD2 PHE 64 1HD PHE 64 -2.713 -5.885 3.017 471 HE1 PHE 64 2HE PHE 64 -1.923 -7.680 7.528 472 HE2 PHE 64 1HE PHE 64 -4.497 -5.782 4.709 473 HZ PHE 64 HZ PHE 64 -4.103 -6.682 6.968 474 H THR 65 H THR 65 -1.780 -9.680 3.735 475 HA THR 65 HA THR 65 -2.722 -10.336 1.024 476 HB THR 65 HB THR 65 -3.205 -11.782 3.635 477 HG1 THR 65 1HG THR 65 -1.837 -12.631 1.282 478 HG21 THR 65 1HG2 THR 65 -4.090 -13.500 1.790 479 HG22 THR 65 2HG2 THR 65 -4.487 -11.991 0.969 480 HG23 THR 65 3HG2 THR 65 -5.144 -12.323 2.571 481 H VAL 66 H VAL 66 -4.340 -9.073 0.388 482 HA VAL 66 HA VAL 66 -6.254 -8.081 2.382 483 HB VAL 66 HB VAL 66 -5.835 -7.151 -0.462 484 HG11 VAL 66 1HG1 VAL 66 -8.112 -6.875 0.819 485 HG12 VAL 66 2HG1 VAL 66 -7.249 -5.565 1.627 486 HG13 VAL 66 3HG1 VAL 66 -7.440 -5.547 -0.126 487 HG21 VAL 66 1HG2 VAL 66 -4.978 -5.841 2.117 488 HG22 VAL 66 2HG2 VAL 66 -3.904 -6.699 1.012 489 HG23 VAL 66 3HG2 VAL 66 -4.717 -5.225 0.485 490 H THR 67 H THR 67 -8.250 -8.871 2.464 491 HA THR 67 HA THR 67 -9.333 -10.239 0.094 492 HB THR 67 HB THR 67 -10.334 -11.959 1.490 493 HG1 THR 67 1HG THR 67 -10.481 -11.676 3.576 494 HG21 THR 67 1HG2 THR 67 -7.792 -11.941 0.722 495 HG22 THR 67 2HG2 THR 67 -8.459 -13.254 1.692 496 HG23 THR 67 3HG2 THR 67 -7.525 -11.974 2.465 497 H GLY 68 H GLY 68 -11.628 -10.241 -0.090 498 HA2 GLY 68 1HA GLY 68 -13.807 -9.575 0.526 499 HA3 GLY 68 2HA GLY 68 -13.116 -8.562 1.785 500 H LEU 69 H LEU 69 -11.387 -8.097 -1.016 501 HA LEU 69 HA LEU 69 -12.181 -5.435 -1.338 502 HB2 LEU 69 1HB LEU 69 -10.728 -7.328 -3.167 503 HB3 LEU 69 2HB LEU 69 -10.993 -5.632 -3.566 504 HG LEU 69 HG LEU 69 -9.538 -6.505 -1.081 505 HD11 LEU 69 1HD1 LEU 69 -7.935 -5.475 -3.298 506 HD12 LEU 69 2HD1 LEU 69 -8.642 -7.063 -3.596 507 HD13 LEU 69 3HD1 LEU 69 -7.617 -6.806 -2.184 508 HD21 LEU 69 1HD2 LEU 69 -9.475 -3.915 -2.622 509 HD22 LEU 69 2HD2 LEU 69 -8.708 -4.252 -1.071 510 HD23 LEU 69 3HD2 LEU 69 -10.467 -4.202 -1.193 511 H HIS 70 H HIS 70 -13.725 -4.451 -2.502 512 HA HIS 70 HA HIS 70 -15.903 -5.928 -3.524 513 HB2 HIS 70 1HB HIS 70 -15.125 -3.051 -3.466 514 HB3 HIS 70 2HB HIS 70 -16.394 -3.539 -4.586 515 HD1 HIS 70 1HD HIS 70 -18.286 -2.385 -3.336 516 HD2 HIS 70 2HD HIS 70 -16.171 -5.085 -0.991 517 HE1 HIS 70 1HE HIS 70 -19.638 -2.653 -1.233 518 HE2 HIS 70 2HE HIS 70 -18.296 -4.225 0.206 519 H LYS 71 H LYS 71 -15.863 -7.107 -5.314 520 HA LYS 71 HA LYS 71 -13.967 -6.887 -7.366 521 HB2 LYS 71 1HB LYS 71 -15.428 -8.417 -8.627 522 HB3 LYS 71 2HB LYS 71 -15.200 -8.947 -6.966 523 HG2 LYS 71 1HG LYS 71 -17.380 -8.193 -6.351 524 HG3 LYS 71 2HG LYS 71 -17.605 -7.408 -7.916 525 HD2 LYS 71 1HD LYS 71 -18.005 -9.379 -9.000 526 HD3 LYS 71 2HD LYS 71 -16.997 -10.317 -7.896 527 HE2 LYS 71 1HE LYS 71 -18.681 -10.592 -6.375 528 HE3 LYS 71 2HE LYS 71 -19.474 -9.081 -6.816 529 HZ1 LYS 71 1HZ LYS 71 -20.183 -11.620 -7.613 530 HZ2 LYS 71 2HZ LYS 71 -19.503 -10.907 -8.987 531 HZ3 LYS 71 3HZ LYS 71 -20.802 -10.160 -8.203 532 H GLY 72 H GLY 72 -14.335 -6.343 -9.633 533 HA2 GLY 72 1HA GLY 72 -14.939 -4.867 -11.283 534 HA3 GLY 72 2HA GLY 72 -16.543 -4.889 -10.564 535 H THR 73 H THR 73 -13.668 -3.838 -8.857 536 HA THR 73 HA THR 73 -14.492 -1.038 -9.158 537 HB THR 73 HB THR 73 -14.032 -2.451 -6.528 538 HG1 THR 73 1HG THR 73 -16.167 -1.192 -6.266 539 HG21 THR 73 1HG2 THR 73 -14.583 -0.039 -5.673 540 HG22 THR 73 2HG2 THR 73 -13.940 0.450 -7.241 541 HG23 THR 73 3HG2 THR 73 -12.931 -0.462 -6.120 542 H THR 74 H THR 74 -12.840 0.492 -8.828 543 HA THR 74 HA THR 74 -10.157 -0.602 -9.202 544 HB THR 74 HB THR 74 -11.315 2.145 -9.647 545 HG1 THR 74 1HG THR 74 -9.885 0.553 -11.496 546 HG21 THR 74 1HG2 THR 74 -8.425 1.333 -9.974 547 HG22 THR 74 2HG2 THR 74 -9.045 2.330 -8.658 548 HG23 THR 74 3HG2 THR 74 -9.125 2.914 -10.320 549 H TYR 75 H TYR 75 -8.356 0.145 -8.000 550 HA TYR 75 HA TYR 75 -8.951 1.570 -5.509 551 HB2 TYR 75 1HB TYR 75 -7.767 -1.174 -5.767 552 HB3 TYR 75 2HB TYR 75 -7.312 -0.143 -4.416 553 HD1 TYR 75 1HD TYR 75 -8.968 0.491 -2.722 554 HD2 TYR 75 2HD TYR 75 -9.966 -2.148 -5.906 555 HE1 TYR 75 1HE TYR 75 -10.990 -0.203 -1.505 556 HE2 TYR 75 2HE TYR 75 -11.991 -2.849 -4.699 557 HH TYR 75 HH TYR 75 -12.537 -2.071 -1.420 558 H ILE 76 H ILE 76 -6.931 2.249 -4.371 559 HA ILE 76 HA ILE 76 -4.672 2.619 -6.214 560 HB ILE 76 HB ILE 76 -5.674 4.829 -4.429 561 HG12 ILE 76 1HG1 ILE 76 -6.038 4.922 -7.390 562 HG13 ILE 76 2HG1 ILE 76 -7.185 3.981 -6.443 563 HG21 ILE 76 1HG2 ILE 76 -4.082 6.173 -5.409 564 HG22 ILE 76 2HG2 ILE 76 -3.245 4.623 -5.358 565 HG23 ILE 76 3HG2 ILE 76 -3.981 5.179 -6.861 566 HD11 ILE 76 1HD1 ILE 76 -7.870 5.891 -5.224 567 HD12 ILE 76 2HD1 ILE 76 -6.547 6.860 -5.874 568 HD13 ILE 76 3HD1 ILE 76 -7.860 6.338 -6.930 569 H PHE 77 H PHE 77 -3.172 1.394 -5.223 570 HA PHE 77 HA PHE 77 -2.891 1.466 -2.330 571 HB2 PHE 77 1HB PHE 77 -1.626 -0.182 -4.509 572 HB3 PHE 77 2HB PHE 77 -1.007 -0.208 -2.861 573 HD1 PHE 77 1HD PHE 77 -3.934 -0.958 -4.972 574 HD2 PHE 77 2HD PHE 77 -2.114 -1.410 -1.151 575 HE1 PHE 77 1HE PHE 77 -5.620 -2.647 -4.372 576 HE2 PHE 77 2HE PHE 77 -3.796 -3.100 -0.546 577 HZ PHE 77 HZ PHE 77 -5.552 -3.721 -2.157 578 H ARG 78 H ARG 78 -1.128 2.255 -1.227 579 HA ARG 78 HA ARG 78 1.044 3.490 -2.731 580 HB2 ARG 78 1HB ARG 78 -0.828 4.979 -0.897 581 HB3 ARG 78 2HB ARG 78 0.786 5.569 -1.271 582 HG2 ARG 78 1HG ARG 78 0.076 5.362 -3.728 583 HG3 ARG 78 2HG ARG 78 -1.567 5.257 -3.093 584 HD2 ARG 78 1HD ARG 78 -0.785 7.396 -1.742 585 HD3 ARG 78 2HD ARG 78 0.335 7.541 -3.096 586 HE ARG 78 HE ARG 78 -2.051 7.176 -4.311 587 HH11 ARG 78 2HH1 ARG 78 -0.938 9.369 -1.847 588 HH12 ARG 78 1HH1 ARG 78 -2.028 10.638 -2.300 589 HH21 ARG 78 2HH2 ARG 78 -3.491 8.838 -4.917 590 HH22 ARG 78 1HH2 ARG 78 -3.480 10.334 -4.045 591 H LEU 79 H LEU 79 2.933 3.082 -1.788 592 HA LEU 79 HA LEU 79 2.954 2.461 1.093 593 HB2 LEU 79 1HB LEU 79 3.256 0.476 -0.390 594 HB3 LEU 79 2HB LEU 79 4.726 1.226 -1.008 595 HG LEU 79 HG LEU 79 5.612 1.172 1.351 596 HD11 LEU 79 1HD1 LEU 79 4.445 0.324 3.059 597 HD12 LEU 79 2HD1 LEU 79 3.800 -0.999 2.088 598 HD13 LEU 79 3HD1 LEU 79 3.035 0.589 2.033 599 HD21 LEU 79 1HD2 LEU 79 6.586 -0.427 0.026 600 HD22 LEU 79 2HD2 LEU 79 5.054 -1.225 -0.330 601 HD23 LEU 79 3HD2 LEU 79 5.817 -1.442 1.246 602 H ALA 80 H ALA 80 4.968 2.900 2.200 603 HA ALA 80 HA ALA 80 6.860 4.655 0.850 604 HB1 ALA 80 1HB ALA 80 6.619 6.235 2.912 605 HB2 ALA 80 2HB ALA 80 5.510 6.384 1.548 606 HB3 ALA 80 3HB ALA 80 5.001 5.539 3.011 607 H ALA 81 H ALA 81 8.882 4.701 1.794 608 HA ALA 81 HA ALA 81 9.387 2.596 3.734 609 HB1 ALA 81 1HB ALA 81 11.564 4.292 2.616 610 HB2 ALA 81 2HB ALA 81 11.554 2.569 2.992 611 HB3 ALA 81 3HB ALA 81 10.731 3.161 1.549 612 H LYS 82 H LYS 82 10.468 2.894 5.699 613 HA LYS 82 HA LYS 82 10.574 5.670 6.679 614 HB2 LYS 82 1HB LYS 82 8.653 4.069 7.506 615 HB3 LYS 82 2HB LYS 82 9.921 3.417 8.535 616 HG2 LYS 82 1HG LYS 82 10.236 5.503 9.619 617 HG3 LYS 82 2HG LYS 82 9.225 6.340 8.439 618 HD2 LYS 82 1HD LYS 82 8.221 5.754 10.747 619 HD3 LYS 82 2HD LYS 82 7.260 5.444 9.300 620 HE2 LYS 82 1HE LYS 82 7.555 3.156 9.436 621 HE3 LYS 82 2HE LYS 82 9.032 3.299 10.387 622 HZ1 LYS 82 1HZ LYS 82 7.483 4.258 12.171 623 HZ2 LYS 82 2HZ LYS 82 7.470 2.586 11.916 624 HZ3 LYS 82 3HZ LYS 82 6.233 3.548 11.279 625 H ASN 83 H ASN 83 12.531 6.244 7.336 626 HA ASN 83 HA ASN 83 14.382 4.136 8.240 627 HB2 ASN 83 1HB ASN 83 16.210 5.669 7.442 628 HB3 ASN 83 2HB ASN 83 15.190 5.021 6.161 629 HD21 ASN 83 1HD2 ASN 83 16.384 6.984 5.208 630 HD22 ASN 83 2HD2 ASN 83 15.506 8.471 5.243 631 H ARG 84 H ARG 84 16.321 5.343 9.463 632 HA ARG 84 HA ARG 84 15.471 6.008 11.966 633 HB2 ARG 84 1HB ARG 84 17.960 6.673 10.444 634 HB3 ARG 84 2HB ARG 84 17.716 7.374 12.038 635 HG2 ARG 84 1HG ARG 84 17.351 4.444 11.730 636 HG3 ARG 84 2HG ARG 84 18.991 5.094 11.702 637 HD2 ARG 84 1HD ARG 84 18.734 4.713 13.946 638 HD3 ARG 84 2HD ARG 84 18.172 6.381 13.839 639 HE ARG 84 HE ARG 84 15.911 4.918 13.504 640 HH11 ARG 84 2HH1 ARG 84 18.419 4.981 15.917 641 HH12 ARG 84 1HH1 ARG 84 17.372 4.488 17.206 642 HH21 ARG 84 2HH2 ARG 84 14.522 4.268 15.193 643 HH22 ARG 84 1HH2 ARG 84 15.155 4.082 16.793 644 H ALA 85 H ALA 85 15.528 8.036 9.157 645 HA ALA 85 HA ALA 85 15.139 10.483 10.667 646 HB1 ALA 85 1HB ALA 85 15.014 11.563 8.467 647 HB2 ALA 85 2HB ALA 85 16.461 10.567 8.631 648 HB3 ALA 85 3HB ALA 85 15.088 9.979 7.694 649 H GLY 86 H GLY 86 13.231 8.152 8.881 650 HA2 GLY 86 1HA GLY 86 10.873 8.114 9.859 651 HA3 GLY 86 2HA GLY 86 10.826 9.794 9.345 652 H LEU 87 H LEU 87 8.923 9.062 8.130 653 HA LEU 87 HA LEU 87 9.212 7.239 5.960 654 HB2 LEU 87 1HB LEU 87 7.117 9.369 6.350 655 HB3 LEU 87 2HB LEU 87 7.007 7.965 5.291 656 HG LEU 87 HG LEU 87 7.387 7.505 8.208 657 HD11 LEU 87 1HD1 LEU 87 5.304 8.092 8.857 658 HD12 LEU 87 2HD1 LEU 87 4.598 7.775 7.272 659 HD13 LEU 87 3HD1 LEU 87 5.485 9.272 7.559 660 HD21 LEU 87 1HD2 LEU 87 7.218 5.460 7.301 661 HD22 LEU 87 2HD2 LEU 87 6.452 6.063 5.831 662 HD23 LEU 87 3HD2 LEU 87 5.487 5.795 7.283 663 H GLY 88 H GLY 88 9.252 7.687 3.724 664 HA2 GLY 88 1HA GLY 88 10.209 10.402 3.053 665 HA3 GLY 88 2HA GLY 88 10.923 8.951 2.365 666 H GLU 89 H GLU 89 10.428 8.933 0.271 667 HA GLU 89 HA GLU 89 8.107 10.122 -0.828 668 HB2 GLU 89 1HB GLU 89 10.328 8.429 -1.853 669 HB3 GLU 89 2HB GLU 89 8.865 8.520 -2.825 670 HG2 GLU 89 1HG GLU 89 10.168 11.019 -1.840 671 HG3 GLU 89 2HG GLU 89 10.803 10.180 -3.254 672 H GLU 90 H GLU 90 6.426 9.006 -2.060 673 HA GLU 90 HA GLU 90 5.779 6.350 -0.969 674 HB2 GLU 90 1HB GLU 90 3.361 7.086 -1.037 675 HB3 GLU 90 2HB GLU 90 4.350 7.832 0.210 676 HG2 GLU 90 1HG GLU 90 4.468 9.872 -0.962 677 HG3 GLU 90 2HG GLU 90 3.833 9.147 -2.437 678 H PHE 91 H PHE 91 5.020 4.870 -2.390 679 HA PHE 91 HA PHE 91 5.112 5.582 -5.204 680 HB2 PHE 91 1HB PHE 91 6.232 3.524 -4.296 681 HB3 PHE 91 2HB PHE 91 4.632 2.863 -3.975 682 HD1 PHE 91 1HD PHE 91 7.024 3.817 -6.581 683 HD2 PHE 91 2HD PHE 91 3.241 2.053 -5.751 684 HE1 PHE 91 1HE PHE 91 6.931 2.945 -8.880 685 HE2 PHE 91 2HE PHE 91 3.142 1.177 -8.048 686 HZ PHE 91 HZ PHE 91 4.988 1.621 -9.615 687 H GLU 92 H GLU 92 3.434 4.820 -6.695 688 HA GLU 92 HA GLU 92 0.765 4.667 -5.473 689 HB2 GLU 92 1HB GLU 92 1.253 6.986 -6.277 690 HB3 GLU 92 2HB GLU 92 1.432 6.338 -7.901 691 HG2 GLU 92 1HG GLU 92 -0.968 5.378 -7.426 692 HG3 GLU 92 2HG GLU 92 -1.017 6.697 -6.259 693 H LYS 93 H LYS 93 -0.515 3.133 -6.301 694 HA LYS 93 HA LYS 93 0.105 2.033 -8.949 695 HB2 LYS 93 1HB LYS 93 1.196 0.547 -7.374 696 HB3 LYS 93 2HB LYS 93 -0.278 0.420 -6.421 697 HG2 LYS 93 1HG LYS 93 0.173 -1.552 -7.850 698 HG3 LYS 93 2HG LYS 93 -1.383 -0.783 -8.167 699 HD2 LYS 93 1HD LYS 93 -0.504 0.301 -10.130 700 HD3 LYS 93 2HD LYS 93 1.123 -0.284 -9.772 701 HE2 LYS 93 1HE LYS 93 -0.072 -2.630 -9.849 702 HE3 LYS 93 2HE LYS 93 -1.241 -1.753 -10.834 703 HZ1 LYS 93 1HZ LYS 93 0.635 -1.047 -12.257 704 HZ2 LYS 93 2HZ LYS 93 0.392 -2.721 -12.258 705 HZ3 LYS 93 3HZ LYS 93 1.663 -2.052 -11.365 706 H GLU 94 H GLU 94 -1.651 1.812 -10.177 707 HA GLU 94 HA GLU 94 -4.280 1.946 -8.862 708 HB2 GLU 94 1HB GLU 94 -3.596 3.778 -10.484 709 HB3 GLU 94 2HB GLU 94 -3.691 2.567 -11.754 710 HG2 GLU 94 1HG GLU 94 -6.092 2.186 -10.767 711 HG3 GLU 94 2HG GLU 94 -5.864 3.827 -10.165 712 H ILE 95 H ILE 95 -5.404 0.127 -8.813 713 HA ILE 95 HA ILE 95 -5.121 -1.772 -11.044 714 HB ILE 95 HB ILE 95 -5.138 -3.648 -9.597 715 HG12 ILE 95 1HG1 ILE 95 -6.763 -2.882 -7.959 716 HG13 ILE 95 2HG1 ILE 95 -5.307 -3.427 -7.133 717 HG21 ILE 95 1HG2 ILE 95 -3.168 -1.550 -9.224 718 HG22 ILE 95 2HG2 ILE 95 -3.254 -2.644 -7.844 719 HG23 ILE 95 3HG2 ILE 95 -2.943 -3.284 -9.458 720 HD11 ILE 95 1HD1 ILE 95 -4.672 -0.886 -7.267 721 HD12 ILE 95 2HD1 ILE 95 -6.419 -0.690 -7.415 722 HD13 ILE 95 3HD1 ILE 95 -5.739 -1.498 -6.003 723 H ARG 96 H ARG 96 -6.962 -3.461 -10.925 724 HA ARG 96 HA ARG 96 -9.452 -2.388 -9.872 725 HB2 ARG 96 1HB ARG 96 -9.311 -1.329 -12.059 726 HB3 ARG 96 2HB ARG 96 -9.011 -2.885 -12.821 727 HG2 ARG 96 1HG ARG 96 -11.290 -3.569 -11.859 728 HG3 ARG 96 2HG ARG 96 -11.545 -1.839 -11.621 729 HD2 ARG 96 1HD ARG 96 -12.494 -2.456 -13.731 730 HD3 ARG 96 2HD ARG 96 -11.045 -1.498 -14.034 731 HE ARG 96 HE ARG 96 -10.240 -4.137 -14.063 732 HH11 ARG 96 2HH1 ARG 96 -12.461 -2.134 -15.844 733 HH12 ARG 96 1HH1 ARG 96 -12.299 -3.036 -17.315 734 HH21 ARG 96 2HH2 ARG 96 -10.017 -5.332 -15.992 735 HH22 ARG 96 1HH2 ARG 96 -10.909 -4.855 -17.398 736 H THR 97 H THR 97 -10.495 -4.011 -8.947 737 HA THR 97 HA THR 97 -9.722 -6.708 -9.204 738 HB THR 97 HB THR 97 -11.995 -7.125 -8.032 739 HG1 THR 97 1HG THR 97 -12.663 -5.060 -6.988 740 HG21 THR 97 1HG2 THR 97 -10.972 -5.747 -5.960 741 HG22 THR 97 2HG2 THR 97 -9.568 -5.768 -7.027 742 HG23 THR 97 3HG2 THR 97 -10.313 -7.283 -6.519 743 HA PRO 98 HA PRO 98 -11.988 -8.215 -12.649 744 HB2 PRO 98 1HB PRO 98 -12.636 -10.718 -11.819 745 HB3 PRO 98 2HB PRO 98 -10.992 -10.251 -12.270 746 HG2 PRO 98 1HG PRO 98 -12.214 -10.489 -9.547 747 HG3 PRO 98 2HG PRO 98 -10.616 -11.018 -10.107 748 HD2 PRO 98 1HD PRO 98 -10.986 -8.729 -8.708 749 HD3 PRO 98 2HD PRO 98 -9.718 -8.902 -9.939 750 H GLU 99 H GLU 99 -13.914 -7.298 -13.062 751 HA GLU 99 HA GLU 99 -16.037 -6.740 -11.553 752 HB2 GLU 99 1HB GLU 99 -16.455 -8.046 -14.238 753 HB3 GLU 99 2HB GLU 99 -17.434 -6.799 -13.478 754 HG2 GLU 99 1HG GLU 99 -15.398 -5.301 -13.637 755 HG3 GLU 99 2HG GLU 99 -14.703 -6.532 -14.691 756 H ASP 100 H ASP 100 -15.172 -9.953 -12.636 757 HA ASP 100 HA ASP 100 -16.582 -11.235 -10.570 758 HB2 ASP 100 1HB ASP 100 -18.135 -12.475 -12.353 759 HB3 ASP 100 2HB ASP 100 -18.659 -11.023 -11.504 760 H LEU 101 H LEU 101 -15.666 -13.165 -10.249 761 HA LEU 101 HA LEU 101 -13.517 -14.066 -11.778 762 HB2 LEU 101 1HB LEU 101 -13.313 -15.747 -10.255 763 HB3 LEU 101 2HB LEU 101 -14.326 -14.630 -9.343 764 HG LEU 101 HG LEU 101 -15.203 -16.795 -8.981 765 HD11 LEU 101 1HD1 LEU 101 -17.327 -16.201 -9.285 766 HD12 LEU 101 2HD1 LEU 101 -17.163 -16.203 -11.041 767 HD13 LEU 101 3HD1 LEU 101 -16.700 -14.776 -10.114 768 HD21 LEU 101 1HD2 LEU 101 -14.070 -17.499 -11.331 769 HD22 LEU 101 2HD2 LEU 101 -15.771 -17.441 -11.795 770 HD23 LEU 101 3HD2 LEU 101 -15.253 -18.483 -10.469 771 H SER 102 H SER 102 -16.839 -14.350 -12.369 772 HA SER 102 HA SER 102 -16.455 -16.651 -14.155 773 HB2 SER 102 1HB SER 102 -18.299 -16.897 -12.577 774 HB3 SER 102 2HB SER 102 -18.998 -15.373 -13.122 775 HG SER 102 HG SER 102 -18.825 -16.623 -15.300 776 H GLY 103 H GLY 103 -15.585 -15.783 -15.987 777 HA2 GLY 103 1HA GLY 103 -17.177 -13.675 -17.314 778 HA3 GLY 103 2HA GLY 103 -15.430 -13.804 -17.466 779 HA PRO 104 HA PRO 104 -16.090 -16.048 -21.189 780 HB2 PRO 104 1HB PRO 104 -13.662 -17.246 -21.394 781 HB3 PRO 104 2HB PRO 104 -13.914 -15.525 -21.710 782 HG2 PRO 104 1HG PRO 104 -12.864 -16.865 -19.248 783 HG3 PRO 104 2HG PRO 104 -12.281 -15.400 -20.059 784 HD2 PRO 104 1HD PRO 104 -13.836 -15.318 -17.844 785 HD3 PRO 104 2HD PRO 104 -13.910 -14.074 -19.108 786 H SER 105 H SER 105 -14.610 -17.798 -18.471 787 HA SER 105 HA SER 105 -15.152 -20.393 -19.419 788 HB2 SER 105 1HB SER 105 -14.946 -20.989 -16.921 789 HB3 SER 105 2HB SER 105 -13.548 -20.245 -17.698 790 HG SER 105 HG SER 105 -15.440 -18.585 -16.476 791 H SER 106 H SER 106 -17.044 -21.340 -19.722 792 HA SER 106 HA SER 106 -19.279 -20.636 -17.935 793 HB2 SER 106 1HB SER 106 -19.193 -20.846 -20.917 794 HB3 SER 106 2HB SER 106 -20.676 -21.300 -20.078 795 HG SER 106 HG SER 106 -20.318 -19.140 -18.982 796 H GLY 107 H GLY 107 -19.653 -22.334 -16.671 797 HA2 GLY 107 1HA GLY 107 -20.455 -24.836 -17.735 798 HA3 GLY 107 2HA GLY 107 -18.817 -24.951 -17.108 Start of MODEL 6 1 H1 GLY 1 H GLY 1 18.142 27.211 11.019 2 HA2 GLY 1 1HA GLY 1 15.399 26.204 11.346 3 HA3 GLY 1 2HA GLY 1 15.780 27.206 9.953 4 H SER 2 H SER 2 14.783 24.837 9.358 5 HA SER 2 HA SER 2 16.915 22.895 9.005 6 HB2 SER 2 1HB SER 2 14.022 22.791 8.115 7 HB3 SER 2 2HB SER 2 15.164 21.449 8.077 8 HG SER 2 HG SER 2 14.804 22.752 10.512 9 H SER 3 H SER 3 17.196 21.879 6.831 10 HA SER 3 HA SER 3 17.524 23.988 4.848 11 HB2 SER 3 1HB SER 3 19.402 22.420 5.445 12 HB3 SER 3 2HB SER 3 18.476 21.121 4.692 13 HG SER 3 HG SER 3 18.914 21.905 2.768 14 H GLY 4 H GLY 4 16.256 20.653 4.937 15 HA2 GLY 4 1HA GLY 4 14.008 21.381 3.300 16 HA3 GLY 4 2HA GLY 4 15.204 20.433 2.428 17 H SER 5 H SER 5 12.999 19.176 2.402 18 HA SER 5 HA SER 5 12.554 17.587 4.783 19 HB2 SER 5 1HB SER 5 11.212 17.837 2.115 20 HB3 SER 5 2HB SER 5 10.903 16.414 3.110 21 HG SER 5 HG SER 5 10.469 19.129 3.805 22 H SER 6 H SER 6 14.108 16.125 5.177 23 HA SER 6 HA SER 6 15.249 14.585 2.975 24 HB2 SER 6 1HB SER 6 16.925 13.862 4.540 25 HB3 SER 6 2HB SER 6 16.705 15.598 4.763 26 HG SER 6 HG SER 6 15.912 13.472 6.418 27 H GLY 7 H GLY 7 15.195 12.327 2.871 28 HA2 GLY 7 1HA GLY 7 14.137 10.556 4.706 29 HA3 GLY 7 2HA GLY 7 12.766 11.140 3.774 30 HA PRO 8 HA PRO 8 14.965 7.540 1.637 31 HB2 PRO 8 1HB PRO 8 12.963 5.724 1.887 32 HB3 PRO 8 2HB PRO 8 14.243 5.914 3.091 33 HG2 PRO 8 1HG PRO 8 11.449 6.989 3.112 34 HG3 PRO 8 2HG PRO 8 12.373 6.249 4.432 35 HD2 PRO 8 1HD PRO 8 12.074 8.929 4.188 36 HD3 PRO 8 2HD PRO 8 13.533 8.190 4.877 37 H GLY 9 H GLY 9 14.088 6.331 -0.292 38 HA2 GLY 9 1HA GLY 9 12.565 8.185 -1.915 39 HA3 GLY 9 2HA GLY 9 13.348 6.711 -2.467 40 H ARG 10 H ARG 10 11.536 6.074 -3.660 41 HA ARG 10 HA ARG 10 9.128 5.429 -2.103 42 HB2 ARG 10 1HB ARG 10 8.126 5.092 -4.437 43 HB3 ARG 10 2HB ARG 10 8.498 6.739 -3.947 44 HG2 ARG 10 1HG ARG 10 10.217 6.945 -5.437 45 HG3 ARG 10 2HG ARG 10 10.560 5.214 -5.448 46 HD2 ARG 10 1HD ARG 10 8.477 4.835 -6.707 47 HD3 ARG 10 2HD ARG 10 8.195 6.576 -6.733 48 HE ARG 10 HE ARG 10 9.984 5.094 -8.404 49 HH11 ARG 10 2HH1 ARG 10 9.404 8.192 -6.926 50 HH12 ARG 10 1HH1 ARG 10 10.311 9.073 -8.111 51 HH21 ARG 10 2HH2 ARG 10 11.180 6.242 -9.970 52 HH22 ARG 10 1HH2 ARG 10 11.320 7.963 -9.842 53 HA PRO 11 HA PRO 11 10.407 1.180 -2.250 54 HB2 PRO 11 1HB PRO 11 8.140 0.144 -1.175 55 HB3 PRO 11 2HB PRO 11 9.371 0.966 -0.210 56 HG2 PRO 11 1HG PRO 11 6.778 2.021 -1.269 57 HG3 PRO 11 2HG PRO 11 7.509 2.250 0.330 58 HD2 PRO 11 1HD PRO 11 7.637 4.132 -1.613 59 HD3 PRO 11 2HD PRO 11 8.929 3.905 -0.417 60 H THR 12 H THR 12 9.923 -0.700 -3.420 61 HA THR 12 HA THR 12 8.238 -0.251 -5.749 62 HB THR 12 HB THR 12 10.032 -2.608 -5.144 63 HG1 THR 12 1HG THR 12 11.484 -1.053 -5.433 64 HG21 THR 12 1HG2 THR 12 9.272 -3.503 -7.037 65 HG22 THR 12 2HG2 THR 12 9.657 -2.028 -7.925 66 HG23 THR 12 3HG2 THR 12 8.086 -2.204 -7.143 67 H MET 13 H MET 13 6.135 -0.650 -5.396 68 HA MET 13 HA MET 13 5.352 -2.952 -3.775 69 HB2 MET 13 1HB MET 13 4.307 -0.677 -3.453 70 HB3 MET 13 2HB MET 13 3.556 -0.875 -5.031 71 HG2 MET 13 1HG MET 13 2.148 -2.550 -4.301 72 HG3 MET 13 2HG MET 13 3.177 -2.957 -2.930 73 HE1 MET 13 1HE MET 13 0.779 -0.127 -4.392 74 HE2 MET 13 2HE MET 13 0.838 1.014 -3.048 75 HE3 MET 13 3HE MET 13 2.299 0.664 -3.973 76 H MET 14 H MET 14 4.230 -4.692 -4.553 77 HA MET 14 HA MET 14 3.608 -4.747 -7.422 78 HB2 MET 14 1HB MET 14 5.041 -6.956 -5.937 79 HB3 MET 14 2HB MET 14 4.557 -6.990 -7.627 80 HG2 MET 14 1HG MET 14 6.040 -4.965 -7.948 81 HG3 MET 14 2HG MET 14 6.669 -5.297 -6.336 82 HE1 MET 14 1HE MET 14 8.685 -8.097 -6.303 83 HE2 MET 14 2HE MET 14 9.520 -6.680 -6.939 84 HE3 MET 14 3HE MET 14 8.236 -6.485 -5.745 85 H ILE 15 H ILE 15 1.429 -4.792 -7.256 86 HA ILE 15 HA ILE 15 0.121 -6.496 -5.308 87 HB ILE 15 HB ILE 15 -1.101 -4.777 -7.471 88 HG12 ILE 15 1HG1 ILE 15 -1.166 -4.064 -4.573 89 HG13 ILE 15 2HG1 ILE 15 0.323 -3.773 -5.466 90 HG21 ILE 15 1HG2 ILE 15 -2.523 -5.655 -5.001 91 HG22 ILE 15 2HG2 ILE 15 -3.175 -5.206 -6.576 92 HG23 ILE 15 3HG2 ILE 15 -2.383 -6.767 -6.362 93 HD11 ILE 15 1HD1 ILE 15 -0.744 -1.767 -5.704 94 HD12 ILE 15 2HD1 ILE 15 -1.283 -2.601 -7.161 95 HD13 ILE 15 3HD1 ILE 15 -2.347 -2.499 -5.758 96 H SER 16 H SER 16 -0.529 -8.508 -5.675 97 HA SER 16 HA SER 16 -0.872 -9.391 -8.465 98 HB2 SER 16 1HB SER 16 1.161 -10.397 -7.715 99 HB3 SER 16 2HB SER 16 0.445 -10.846 -6.168 100 HG SER 16 HG SER 16 0.624 -12.401 -8.161 101 H THR 17 H THR 17 -2.887 -9.978 -8.867 102 HA THR 17 HA THR 17 -4.676 -10.643 -6.665 103 HB THR 17 HB THR 17 -6.483 -10.476 -8.295 104 HG1 THR 17 1HG THR 17 -5.007 -11.253 -10.072 105 HG21 THR 17 1HG2 THR 17 -5.695 -8.063 -9.210 106 HG22 THR 17 2HG2 THR 17 -4.513 -8.308 -7.924 107 HG23 THR 17 3HG2 THR 17 -6.238 -8.349 -7.557 108 H THR 18 H THR 18 -4.601 -12.707 -6.032 109 HA THR 18 HA THR 18 -4.418 -14.809 -8.081 110 HB THR 18 HB THR 18 -3.669 -16.316 -6.348 111 HG1 THR 18 1HG THR 18 -3.626 -14.265 -4.425 112 HG21 THR 18 1HG2 THR 18 -2.287 -13.648 -6.435 113 HG22 THR 18 2HG2 THR 18 -1.850 -15.145 -7.258 114 HG23 THR 18 3HG2 THR 18 -1.630 -15.000 -5.514 115 H ALA 19 H ALA 19 -5.886 -14.516 -4.841 116 HA ALA 19 HA ALA 19 -7.976 -16.357 -5.491 117 HB1 ALA 19 1HB ALA 19 -8.688 -14.890 -3.188 118 HB2 ALA 19 2HB ALA 19 -8.013 -16.517 -3.280 119 HB3 ALA 19 3HB ALA 19 -6.941 -15.124 -3.136 120 H MET 20 H MET 20 -10.318 -15.696 -4.983 121 HA MET 20 HA MET 20 -11.029 -13.608 -6.821 122 HB2 MET 20 1HB MET 20 -12.590 -15.547 -5.137 123 HB3 MET 20 2HB MET 20 -13.397 -14.242 -5.996 124 HG2 MET 20 1HG MET 20 -13.580 -15.874 -7.555 125 HG3 MET 20 2HG MET 20 -12.021 -15.205 -8.030 126 HE1 MET 20 1HE MET 20 -10.877 -18.504 -8.889 127 HE2 MET 20 2HE MET 20 -12.635 -18.637 -8.834 128 HE3 MET 20 3HE MET 20 -11.880 -17.142 -9.389 129 H ASN 21 H ASN 21 -11.326 -11.537 -6.351 130 HA ASN 21 HA ASN 21 -11.763 -9.611 -5.222 131 HB2 ASN 21 1HB ASN 21 -13.025 -11.392 -3.127 132 HB3 ASN 21 2HB ASN 21 -13.281 -9.660 -3.324 133 HD21 ASN 21 1HD2 ASN 21 -15.255 -9.338 -4.036 134 HD22 ASN 21 2HD2 ASN 21 -16.037 -10.216 -5.302 135 H THR 22 H THR 22 -9.345 -11.285 -4.738 136 HA THR 22 HA THR 22 -8.531 -10.031 -2.200 137 HB THR 22 HB THR 22 -7.224 -11.911 -1.573 138 HG1 THR 22 1HG THR 22 -7.669 -12.717 -4.235 139 HG21 THR 22 1HG2 THR 22 -9.812 -13.026 -2.659 140 HG22 THR 22 2HG2 THR 22 -9.669 -12.104 -1.162 141 HG23 THR 22 3HG2 THR 22 -8.862 -13.665 -1.318 142 H ALA 23 H ALA 23 -6.770 -8.791 -2.325 143 HA ALA 23 HA ALA 23 -5.117 -8.983 -4.758 144 HB1 ALA 23 1HB ALA 23 -6.369 -6.891 -4.609 145 HB2 ALA 23 2HB ALA 23 -5.638 -6.561 -3.038 146 HB3 ALA 23 3HB ALA 23 -4.632 -6.608 -4.485 147 H LEU 24 H LEU 24 -3.180 -9.830 -4.407 148 HA LEU 24 HA LEU 24 -2.065 -10.034 -1.772 149 HB2 LEU 24 1HB LEU 24 -1.866 -11.638 -3.827 150 HB3 LEU 24 2HB LEU 24 -0.508 -10.600 -4.257 151 HG LEU 24 HG LEU 24 0.463 -12.399 -3.132 152 HD11 LEU 24 1HD1 LEU 24 0.935 -9.999 -2.244 153 HD12 LEU 24 2HD1 LEU 24 1.564 -11.397 -1.374 154 HD13 LEU 24 3HD1 LEU 24 0.115 -10.577 -0.793 155 HD21 LEU 24 1HD2 LEU 24 -1.365 -13.560 -2.234 156 HD22 LEU 24 2HD2 LEU 24 -1.865 -12.187 -1.247 157 HD23 LEU 24 3HD2 LEU 24 -0.404 -13.085 -0.833 158 H LEU 25 H LEU 25 -0.550 -8.799 -0.829 159 HA LEU 25 HA LEU 25 0.518 -6.545 -2.389 160 HB2 LEU 25 1HB LEU 25 0.100 -6.854 0.579 161 HB3 LEU 25 2HB LEU 25 0.875 -5.466 -0.181 162 HG LEU 25 HG LEU 25 -1.988 -6.312 -0.618 163 HD11 LEU 25 1HD1 LEU 25 -0.722 -4.744 1.462 164 HD12 LEU 25 2HD1 LEU 25 -2.376 -5.343 1.345 165 HD13 LEU 25 3HD1 LEU 25 -1.935 -3.818 0.578 166 HD21 LEU 25 1HD2 LEU 25 -0.536 -3.807 -1.462 167 HD22 LEU 25 2HD2 LEU 25 -2.225 -4.205 -1.776 168 HD23 LEU 25 3HD2 LEU 25 -0.941 -5.151 -2.529 169 H GLN 26 H GLN 26 2.589 -6.636 -2.921 170 HA GLN 26 HA GLN 26 4.505 -7.823 -1.059 171 HB2 GLN 26 1HB GLN 26 4.530 -8.512 -3.997 172 HB3 GLN 26 2HB GLN 26 5.549 -9.183 -2.730 173 HG2 GLN 26 1HG GLN 26 3.236 -9.921 -1.721 174 HG3 GLN 26 2HG GLN 26 2.715 -9.767 -3.398 175 HE21 GLN 26 1HE2 GLN 26 3.611 -11.957 -1.260 176 HE22 GLN 26 2HE2 GLN 26 4.420 -13.102 -2.269 177 H TRP 27 H TRP 27 5.970 -6.311 -0.678 178 HA TRP 27 HA TRP 27 6.930 -4.682 -2.932 179 HB2 TRP 27 1HB TRP 27 7.091 -2.738 -1.423 180 HB3 TRP 27 2HB TRP 27 5.430 -3.299 -1.590 181 HD1 TRP 27 HD TRP 27 8.298 -3.159 0.953 182 HE1 TRP 27 1HE TRP 27 7.323 -3.538 3.305 183 HE3 TRP 27 3HE TRP 27 3.497 -4.349 -0.340 184 HZ2 TRP 27 2HZ TRP 27 4.847 -4.247 4.459 185 HZ3 TRP 27 3HZ TRP 27 1.888 -4.865 1.448 186 HH2 TRP 27 HH TRP 27 2.551 -4.815 3.798 187 H HIS 28 H HIS 28 9.026 -3.491 -2.240 188 HA HIS 28 HA HIS 28 10.667 -5.183 -0.495 189 HB2 HIS 28 1HB HIS 28 11.247 -4.469 -3.365 190 HB3 HIS 28 2HB HIS 28 12.523 -4.937 -2.245 191 HD1 HIS 28 1HD HIS 28 12.809 -7.399 -1.772 192 HD2 HIS 28 2HD HIS 28 9.372 -6.560 -3.950 193 HE1 HIS 28 1HE HIS 28 11.921 -9.632 -2.513 194 HE2 HIS 28 2HE HIS 28 9.889 -9.094 -3.901 195 HA PRO 29 HA PRO 29 12.288 -1.407 1.046 196 HB2 PRO 29 1HB PRO 29 14.813 -2.149 1.714 197 HB3 PRO 29 2HB PRO 29 13.388 -2.661 2.626 198 HG2 PRO 29 1HG PRO 29 14.944 -4.152 0.548 199 HG3 PRO 29 2HG PRO 29 14.295 -4.735 2.092 200 HD2 PRO 29 1HD PRO 29 13.069 -5.207 -0.276 201 HD3 PRO 29 2HD PRO 29 12.169 -5.001 1.241 202 HA PRO 30 HA PRO 30 14.299 0.531 -2.401 203 HB2 PRO 30 1HB PRO 30 14.725 2.945 -1.234 204 HB3 PRO 30 2HB PRO 30 13.137 2.423 -1.808 205 HG2 PRO 30 1HG PRO 30 14.250 2.395 0.971 206 HG3 PRO 30 2HG PRO 30 12.635 2.874 0.417 207 HD2 PRO 30 1HD PRO 30 13.136 0.456 1.528 208 HD3 PRO 30 2HD PRO 30 11.898 0.695 0.279 209 H LYS 31 H LYS 31 16.336 1.806 -2.803 210 HA LYS 31 HA LYS 31 18.489 0.807 -1.059 211 HB2 LYS 31 1HB LYS 31 18.240 1.083 -4.012 212 HB3 LYS 31 2HB LYS 31 19.826 1.353 -3.303 213 HG2 LYS 31 1HG LYS 31 18.193 -1.124 -2.813 214 HG3 LYS 31 2HG LYS 31 19.390 -0.977 -4.101 215 HD2 LYS 31 1HD LYS 31 21.000 -0.268 -2.210 216 HD3 LYS 31 2HD LYS 31 19.801 -0.984 -1.131 217 HE2 LYS 31 1HE LYS 31 19.997 -2.998 -2.826 218 HE3 LYS 31 2HE LYS 31 21.575 -2.279 -3.141 219 HZ1 LYS 31 1HZ LYS 31 20.800 -2.680 -0.352 220 HZ2 LYS 31 2HZ LYS 31 22.325 -2.787 -1.075 221 HZ3 LYS 31 3HZ LYS 31 21.216 -4.052 -1.249 222 H GLU 32 H GLU 32 16.971 3.588 -2.340 223 HA GLU 32 HA GLU 32 19.251 5.331 -1.927 224 HB2 GLU 32 1HB GLU 32 16.394 6.080 -2.563 225 HB3 GLU 32 2HB GLU 32 17.811 7.111 -2.707 226 HG2 GLU 32 1HG GLU 32 17.774 4.572 -4.241 227 HG3 GLU 32 2HG GLU 32 16.746 5.895 -4.790 228 H LEU 33 H LEU 33 17.608 3.780 0.224 229 HA LEU 33 HA LEU 33 16.591 5.878 1.907 230 HB2 LEU 33 1HB LEU 33 15.638 3.613 1.910 231 HB3 LEU 33 2HB LEU 33 17.161 2.984 2.534 232 HG LEU 33 HG LEU 33 15.754 5.085 4.105 233 HD11 LEU 33 1HD1 LEU 33 14.857 2.610 5.075 234 HD12 LEU 33 2HD1 LEU 33 14.521 2.614 3.344 235 HD13 LEU 33 3HD1 LEU 33 13.895 3.907 4.366 236 HD21 LEU 33 1HD2 LEU 33 18.019 3.575 4.457 237 HD22 LEU 33 2HD2 LEU 33 16.819 2.710 5.419 238 HD23 LEU 33 3HD2 LEU 33 17.134 4.418 5.729 239 HA PRO 34 HA PRO 34 20.682 6.828 3.468 240 HB2 PRO 34 1HB PRO 34 19.877 8.930 4.986 241 HB3 PRO 34 2HB PRO 34 20.106 9.040 3.237 242 HG2 PRO 34 1HG PRO 34 17.577 8.680 4.798 243 HG3 PRO 34 2HG PRO 34 17.890 9.726 3.400 244 HD2 PRO 34 1HD PRO 34 16.626 7.341 3.182 245 HD3 PRO 34 2HD PRO 34 17.660 7.995 1.895 246 H GLY 35 H GLY 35 21.004 5.000 4.770 247 HA2 GLY 35 1HA GLY 35 21.590 4.795 7.196 248 HA3 GLY 35 2HA GLY 35 19.912 5.213 7.508 249 H GLU 36 H GLU 36 18.563 3.582 7.854 250 HA GLU 36 HA GLU 36 18.949 1.042 6.489 251 HB2 GLU 36 1HB GLU 36 19.001 -0.291 8.480 252 HB3 GLU 36 2HB GLU 36 20.276 0.912 8.605 253 HG2 GLU 36 1HG GLU 36 18.724 2.290 9.997 254 HG3 GLU 36 2HG GLU 36 17.612 0.924 9.996 255 H LEU 37 H LEU 37 17.111 -0.444 6.838 256 HA LEU 37 HA LEU 37 14.635 1.031 6.762 257 HB2 LEU 37 1HB LEU 37 15.239 -0.895 5.250 258 HB3 LEU 37 2HB LEU 37 15.001 -1.954 6.638 259 HG LEU 37 HG LEU 37 12.628 -0.895 6.712 260 HD11 LEU 37 1HD1 LEU 37 12.835 -0.653 3.785 261 HD12 LEU 37 2HD1 LEU 37 13.561 0.654 4.718 262 HD13 LEU 37 3HD1 LEU 37 11.857 0.256 4.937 263 HD21 LEU 37 1HD2 LEU 37 13.768 -3.087 5.155 264 HD22 LEU 37 2HD2 LEU 37 12.206 -2.528 4.556 265 HD23 LEU 37 3HD2 LEU 37 12.370 -3.063 6.229 266 H LEU 38 H LEU 38 13.191 1.249 8.349 267 HA LEU 38 HA LEU 38 13.512 -0.423 10.755 268 HB2 LEU 38 1HB LEU 38 12.555 2.433 10.653 269 HB3 LEU 38 2HB LEU 38 12.801 1.456 12.099 270 HG LEU 38 HG LEU 38 15.111 2.016 10.286 271 HD11 LEU 38 1HD1 LEU 38 15.547 4.107 11.227 272 HD12 LEU 38 2HD1 LEU 38 14.353 3.886 12.505 273 HD13 LEU 38 3HD1 LEU 38 13.826 4.159 10.844 274 HD21 LEU 38 1HD2 LEU 38 15.906 2.191 12.902 275 HD22 LEU 38 2HD2 LEU 38 16.015 0.749 11.891 276 HD23 LEU 38 3HD2 LEU 38 14.635 0.970 12.969 277 H GLY 39 H GLY 39 11.350 0.991 8.429 278 HA2 GLY 39 1HA GLY 39 9.336 -0.877 8.719 279 HA3 GLY 39 2HA GLY 39 8.921 0.434 9.813 280 H TYR 40 H TYR 40 7.056 0.160 8.103 281 HA TYR 40 HA TYR 40 7.179 2.494 6.454 282 HB2 TYR 40 1HB TYR 40 6.394 0.889 4.435 283 HB3 TYR 40 2HB TYR 40 8.061 1.402 4.667 284 HD1 TYR 40 1HD TYR 40 6.082 -1.173 6.498 285 HD2 TYR 40 2HD TYR 40 9.366 -0.370 3.915 286 HE1 TYR 40 1HE TYR 40 6.777 -3.526 6.660 287 HE2 TYR 40 2HE TYR 40 10.070 -2.722 4.069 288 HH TYR 40 HH TYR 40 8.471 -4.979 6.247 289 H ARG 41 H ARG 41 5.131 3.124 5.651 290 HA ARG 41 HA ARG 41 2.897 1.720 6.951 291 HB2 ARG 41 1HB ARG 41 3.029 3.931 7.788 292 HB3 ARG 41 2HB ARG 41 3.306 4.604 6.188 293 HG2 ARG 41 1HG ARG 41 0.956 3.742 5.633 294 HG3 ARG 41 2HG ARG 41 0.756 3.586 7.380 295 HD2 ARG 41 1HD ARG 41 1.755 6.147 6.202 296 HD3 ARG 41 2HD ARG 41 0.031 5.780 6.184 297 HE ARG 41 HE ARG 41 0.719 5.360 8.763 298 HH11 ARG 41 2HH1 ARG 41 1.202 8.017 6.565 299 HH12 ARG 41 1HH1 ARG 41 1.177 9.222 7.810 300 HH21 ARG 41 2HH2 ARG 41 0.684 6.937 10.411 301 HH22 ARG 41 1HH2 ARG 41 0.884 8.606 9.997 302 H LEU 42 H LEU 42 0.980 1.335 5.821 303 HA LEU 42 HA LEU 42 1.210 1.541 2.890 304 HB2 LEU 42 1HB LEU 42 1.242 -0.768 4.129 305 HB3 LEU 42 2HB LEU 42 -0.500 -0.518 4.207 306 HG LEU 42 HG LEU 42 1.211 -0.818 1.747 307 HD11 LEU 42 1HD1 LEU 42 -0.111 -2.764 1.332 308 HD12 LEU 42 2HD1 LEU 42 -1.172 -2.399 2.692 309 HD13 LEU 42 3HD1 LEU 42 0.504 -2.863 2.982 310 HD21 LEU 42 1HD2 LEU 42 -1.238 -0.710 0.727 311 HD22 LEU 42 2HD2 LEU 42 -0.235 0.729 0.915 312 HD23 LEU 42 3HD2 LEU 42 -1.487 0.364 2.104 313 H GLN 43 H GLN 43 -0.403 2.506 1.807 314 HA GLN 43 HA GLN 43 -2.937 3.002 3.209 315 HB2 GLN 43 1HB GLN 43 -1.521 5.079 1.536 316 HB3 GLN 43 2HB GLN 43 -2.990 5.292 2.478 317 HG2 GLN 43 1HG GLN 43 -1.610 4.770 4.523 318 HG3 GLN 43 2HG GLN 43 -0.190 4.902 3.487 319 HE21 GLN 43 1HE2 GLN 43 -3.044 6.656 4.591 320 HE22 GLN 43 2HE2 GLN 43 -2.340 8.230 4.483 321 H TYR 44 H TYR 44 -4.599 2.297 2.058 322 HA TYR 44 HA TYR 44 -4.628 2.619 -0.832 323 HB2 TYR 44 1HB TYR 44 -5.149 0.285 -1.278 324 HB3 TYR 44 2HB TYR 44 -3.591 0.403 -0.467 325 HD1 TYR 44 1HD TYR 44 -7.188 -0.313 0.142 326 HD2 TYR 44 2HD TYR 44 -3.187 -0.787 1.509 327 HE1 TYR 44 1HE TYR 44 -7.968 -1.897 1.855 328 HE2 TYR 44 2HE TYR 44 -3.955 -2.373 3.225 329 HH TYR 44 HH TYR 44 -7.364 -2.946 3.803 330 H CYS 45 H CYS 45 -6.640 2.947 -1.632 331 HA CYS 45 HA CYS 45 -8.983 2.195 -0.097 332 HB2 CYS 45 1HB CYS 45 -9.848 4.617 -0.338 333 HB3 CYS 45 2HB CYS 45 -8.707 4.268 0.954 334 HG CYS 45 HG CYS 45 -7.292 5.278 -1.914 335 H ARG 46 H ARG 46 -11.017 3.080 -1.312 336 HA ARG 46 HA ARG 46 -10.882 2.036 -3.960 337 HB2 ARG 46 1HB ARG 46 -13.033 3.267 -2.275 338 HB3 ARG 46 2HB ARG 46 -13.308 3.019 -3.994 339 HG2 ARG 46 1HG ARG 46 -12.581 0.593 -3.545 340 HG3 ARG 46 2HG ARG 46 -12.864 0.984 -1.848 341 HD2 ARG 46 1HD ARG 46 -14.899 1.364 -4.038 342 HD3 ARG 46 2HD ARG 46 -14.811 -0.063 -3.008 343 HE ARG 46 HE ARG 46 -15.006 2.435 -1.580 344 HH11 ARG 46 2HH1 ARG 46 -16.744 -0.193 -3.059 345 HH12 ARG 46 1HH1 ARG 46 -18.178 0.053 -2.119 346 HH21 ARG 46 2HH2 ARG 46 -16.888 2.770 -0.335 347 HH22 ARG 46 1HH2 ARG 46 -18.259 1.740 -0.570 348 H ALA 47 H ALA 47 -11.735 3.224 -5.869 349 HA ALA 47 HA ALA 47 -10.249 5.628 -6.260 350 HB1 ALA 47 1HB ALA 47 -12.355 4.674 -8.159 351 HB2 ALA 47 2HB ALA 47 -10.813 5.460 -8.501 352 HB3 ALA 47 3HB ALA 47 -10.847 3.779 -7.967 353 H ASP 48 H ASP 48 -13.006 5.196 -4.613 354 HA ASP 48 HA ASP 48 -14.025 7.863 -5.338 355 HB2 ASP 48 1HB ASP 48 -15.502 5.308 -4.868 356 HB3 ASP 48 2HB ASP 48 -16.260 6.822 -4.383 357 H GLU 49 H GLU 49 -12.228 6.526 -3.163 358 HA GLU 49 HA GLU 49 -13.670 7.405 -0.776 359 HB2 GLU 49 1HB GLU 49 -11.340 5.638 -1.301 360 HB3 GLU 49 2HB GLU 49 -11.345 6.522 0.219 361 HG2 GLU 49 1HG GLU 49 -13.652 5.586 0.615 362 HG3 GLU 49 2HG GLU 49 -13.365 4.531 -0.767 363 H ALA 50 H ALA 50 -12.725 8.874 0.725 364 HA ALA 50 HA ALA 50 -10.938 10.822 -0.566 365 HB1 ALA 50 1HB ALA 50 -12.831 12.018 -0.058 366 HB2 ALA 50 2HB ALA 50 -13.159 11.088 1.405 367 HB3 ALA 50 3HB ALA 50 -11.866 12.288 1.394 368 H ARG 51 H ARG 51 -11.343 8.754 2.202 369 HA ARG 51 HA ARG 51 -8.756 9.698 3.252 370 HB2 ARG 51 1HB ARG 51 -9.454 9.213 5.452 371 HB3 ARG 51 2HB ARG 51 -10.819 10.037 4.709 372 HG2 ARG 51 1HG ARG 51 -11.693 7.672 4.196 373 HG3 ARG 51 2HG ARG 51 -10.519 7.143 5.402 374 HD2 ARG 51 1HD ARG 51 -11.613 9.035 6.846 375 HD3 ARG 51 2HD ARG 51 -12.963 8.822 5.733 376 HE ARG 51 HE ARG 51 -12.028 6.351 6.838 377 HH11 ARG 51 2HH1 ARG 51 -14.063 9.119 7.400 378 HH12 ARG 51 1HH1 ARG 51 -15.110 8.290 8.503 379 HH21 ARG 51 2HH2 ARG 51 -13.399 5.248 8.289 380 HH22 ARG 51 1HH2 ARG 51 -14.731 6.088 9.009 381 HA PRO 52 HA PRO 52 -7.500 5.598 1.970 382 HB2 PRO 52 1HB PRO 52 -4.880 5.936 2.592 383 HB3 PRO 52 2HB PRO 52 -5.611 6.596 1.125 384 HG2 PRO 52 1HG PRO 52 -5.012 7.961 3.721 385 HG3 PRO 52 2HG PRO 52 -4.761 8.545 2.066 386 HD2 PRO 52 1HD PRO 52 -6.871 9.315 3.578 387 HD3 PRO 52 2HD PRO 52 -6.969 9.157 1.813 388 H ASN 53 H ASN 53 -6.760 3.705 3.005 389 HA ASN 53 HA ASN 53 -7.211 3.692 5.870 390 HB2 ASN 53 1HB ASN 53 -6.834 1.516 3.816 391 HB3 ASN 53 2HB ASN 53 -6.910 1.173 5.542 392 HD21 ASN 53 1HD2 ASN 53 -8.667 1.885 2.711 393 HD22 ASN 53 2HD2 ASN 53 -10.247 1.879 3.412 394 H THR 54 H THR 54 -5.461 4.510 6.914 395 HA THR 54 HA THR 54 -2.770 3.952 6.175 396 HB THR 54 HB THR 54 -3.629 4.885 8.907 397 HG1 THR 54 1HG THR 54 -3.407 7.039 7.861 398 HG21 THR 54 1HG2 THR 54 -1.477 5.442 9.202 399 HG22 THR 54 2HG2 THR 54 -1.349 6.143 7.589 400 HG23 THR 54 3HG2 THR 54 -1.148 4.405 7.815 401 H ILE 55 H ILE 55 -1.548 2.246 6.643 402 HA ILE 55 HA ILE 55 -2.268 0.571 8.950 403 HB ILE 55 HB ILE 55 -1.447 -0.507 6.251 404 HG12 ILE 55 1HG1 ILE 55 -4.126 -0.792 7.615 405 HG13 ILE 55 2HG1 ILE 55 -3.789 0.456 6.421 406 HG21 ILE 55 1HG2 ILE 55 -1.593 -1.656 8.925 407 HG22 ILE 55 2HG2 ILE 55 -2.503 -2.569 7.723 408 HG23 ILE 55 3HG2 ILE 55 -0.785 -2.254 7.477 409 HD11 ILE 55 1HD1 ILE 55 -3.632 -2.512 5.956 410 HD12 ILE 55 2HD1 ILE 55 -4.930 -1.442 5.427 411 HD13 ILE 55 3HD1 ILE 55 -3.308 -1.258 4.760 412 H ASP 56 H ASP 56 -0.574 -0.334 10.063 413 HA ASP 56 HA ASP 56 2.068 0.738 9.410 414 HB2 ASP 56 1HB ASP 56 0.855 0.861 11.743 415 HB3 ASP 56 2HB ASP 56 1.492 -0.771 11.929 416 H PHE 57 H PHE 57 3.849 -0.521 9.051 417 HA PHE 57 HA PHE 57 3.546 -3.430 9.169 418 HB2 PHE 57 1HB PHE 57 4.186 -1.806 6.725 419 HB3 PHE 57 2HB PHE 57 4.793 -3.451 6.887 420 HD1 PHE 57 1HD PHE 57 3.012 -5.262 7.460 421 HD2 PHE 57 2HD PHE 57 2.111 -1.451 5.792 422 HE1 PHE 57 1HE PHE 57 0.867 -6.136 6.629 423 HE2 PHE 57 2HE PHE 57 -0.036 -2.319 4.960 424 HZ PHE 57 HZ PHE 57 -0.660 -4.664 5.378 425 H GLY 58 H GLY 58 5.304 -4.434 9.943 426 HA2 GLY 58 1HA GLY 58 7.541 -2.857 10.811 427 HA3 GLY 58 2HA GLY 58 7.335 -4.588 11.035 428 H LYS 59 H LYS 59 9.743 -3.188 10.285 429 HA LYS 59 HA LYS 59 10.419 -3.141 7.640 430 HB2 LYS 59 1HB LYS 59 12.691 -3.458 8.291 431 HB3 LYS 59 2HB LYS 59 11.902 -2.582 9.596 432 HG2 LYS 59 1HG LYS 59 11.569 -4.921 10.645 433 HG3 LYS 59 2HG LYS 59 12.834 -5.420 9.520 434 HD2 LYS 59 1HD LYS 59 14.102 -4.854 11.345 435 HD3 LYS 59 2HD LYS 59 14.072 -3.311 10.489 436 HE2 LYS 59 1HE LYS 59 12.373 -2.460 11.922 437 HE3 LYS 59 2HE LYS 59 12.096 -4.047 12.639 438 HZ1 LYS 59 1HZ LYS 59 14.236 -3.967 13.673 439 HZ2 LYS 59 2HZ LYS 59 13.412 -2.540 14.056 440 HZ3 LYS 59 3HZ LYS 59 14.632 -2.523 12.884 441 H ASP 60 H ASP 60 9.551 -5.885 9.506 442 HA ASP 60 HA ASP 60 10.781 -7.813 7.738 443 HB2 ASP 60 1HB ASP 60 8.864 -8.118 10.055 444 HB3 ASP 60 2HB ASP 60 9.519 -9.472 9.139 445 H ASP 61 H ASP 61 7.577 -6.472 8.320 446 HA ASP 61 HA ASP 61 6.135 -8.225 6.650 447 HB2 ASP 61 1HB ASP 61 5.640 -5.560 7.876 448 HB3 ASP 61 2HB ASP 61 4.607 -6.035 6.531 449 H GLN 62 H GLN 62 7.053 -8.533 4.663 450 HA GLN 62 HA GLN 62 7.516 -6.177 2.980 451 HB2 GLN 62 1HB GLN 62 8.479 -9.018 2.868 452 HB3 GLN 62 2HB GLN 62 8.537 -7.998 1.436 453 HG2 GLN 62 1HG GLN 62 9.933 -6.394 2.619 454 HG3 GLN 62 2HG GLN 62 9.858 -7.390 4.071 455 HE21 GLN 62 1HE2 GLN 62 10.692 -7.652 0.633 456 HE22 GLN 62 2HE2 GLN 62 12.068 -8.670 0.868 457 H HIS 63 H HIS 63 5.022 -8.098 3.680 458 HA HIS 63 HA HIS 63 3.648 -7.504 1.239 459 HB2 HIS 63 1HB HIS 63 3.009 -10.058 1.042 460 HB3 HIS 63 2HB HIS 63 4.451 -9.425 0.254 461 HD1 HIS 63 1HD HIS 63 6.489 -10.753 0.663 462 HD2 HIS 63 2HD HIS 63 3.732 -11.177 3.742 463 HE1 HIS 63 1HE HIS 63 7.499 -12.427 2.244 464 HE2 HIS 63 2HE HIS 63 5.776 -12.731 4.055 465 H PHE 64 H PHE 64 1.358 -8.228 1.320 466 HA PHE 64 HA PHE 64 0.353 -9.002 3.930 467 HB2 PHE 64 1HB PHE 64 0.616 -6.509 4.012 468 HB3 PHE 64 2HB PHE 64 -0.534 -6.394 2.684 469 HD1 PHE 64 2HD PHE 64 -0.246 -7.947 6.064 470 HD2 PHE 64 1HD PHE 64 -2.737 -6.021 3.200 471 HE1 PHE 64 2HE PHE 64 -2.102 -7.954 7.679 472 HE2 PHE 64 1HE PHE 64 -4.597 -6.025 4.810 473 HZ PHE 64 HZ PHE 64 -4.282 -6.993 7.052 474 H THR 65 H THR 65 -1.728 -9.841 3.880 475 HA THR 65 HA THR 65 -2.732 -10.428 1.188 476 HB THR 65 HB THR 65 -3.496 -11.761 3.792 477 HG1 THR 65 1HG THR 65 -2.098 -13.452 2.967 478 HG21 THR 65 1HG2 THR 65 -3.795 -12.947 1.060 479 HG22 THR 65 2HG2 THR 65 -5.010 -11.823 1.669 480 HG23 THR 65 3HG2 THR 65 -4.674 -13.317 2.543 481 H VAL 66 H VAL 66 -4.443 -9.364 0.458 482 HA VAL 66 HA VAL 66 -6.317 -8.198 2.412 483 HB VAL 66 HB VAL 66 -5.803 -7.217 -0.397 484 HG11 VAL 66 1HG1 VAL 66 -8.052 -6.789 0.676 485 HG12 VAL 66 2HG1 VAL 66 -7.197 -5.795 1.857 486 HG13 VAL 66 3HG1 VAL 66 -7.162 -5.362 0.148 487 HG21 VAL 66 1HG2 VAL 66 -3.823 -6.653 0.631 488 HG22 VAL 66 2HG2 VAL 66 -4.810 -5.239 0.999 489 HG23 VAL 66 3HG2 VAL 66 -4.569 -6.488 2.220 490 H THR 67 H THR 67 -8.306 -8.997 2.415 491 HA THR 67 HA THR 67 -9.363 -10.196 -0.056 492 HB THR 67 HB THR 67 -10.448 -11.966 1.253 493 HG1 THR 67 1HG THR 67 -10.395 -10.693 3.272 494 HG21 THR 67 1HG2 THR 67 -8.037 -12.114 0.316 495 HG22 THR 67 2HG2 THR 67 -8.586 -13.353 1.445 496 HG23 THR 67 3HG2 THR 67 -7.547 -12.044 2.008 497 H GLY 68 H GLY 68 -11.569 -9.964 -0.409 498 HA2 GLY 68 1HA GLY 68 -13.787 -9.403 0.362 499 HA3 GLY 68 2HA GLY 68 -13.051 -8.363 1.573 500 H LEU 69 H LEU 69 -11.494 -8.091 -1.400 501 HA LEU 69 HA LEU 69 -12.309 -5.396 -1.742 502 HB2 LEU 69 1HB LEU 69 -10.860 -7.227 -3.648 503 HB3 LEU 69 2HB LEU 69 -10.990 -5.477 -3.808 504 HG LEU 69 HG LEU 69 -9.627 -6.848 -1.495 505 HD11 LEU 69 1HD1 LEU 69 -7.701 -5.602 -3.043 506 HD12 LEU 69 2HD1 LEU 69 -8.728 -6.426 -4.216 507 HD13 LEU 69 3HD1 LEU 69 -7.979 -7.338 -2.905 508 HD21 LEU 69 1HD2 LEU 69 -9.954 -4.015 -2.399 509 HD22 LEU 69 2HD2 LEU 69 -8.536 -4.495 -1.466 510 HD23 LEU 69 3HD2 LEU 69 -10.152 -4.707 -0.789 511 H HIS 70 H HIS 70 -13.841 -4.499 -2.998 512 HA HIS 70 HA HIS 70 -15.928 -6.123 -4.034 513 HB2 HIS 70 1HB HIS 70 -15.334 -3.184 -4.049 514 HB3 HIS 70 2HB HIS 70 -16.635 -3.817 -5.052 515 HD1 HIS 70 1HD HIS 70 -18.439 -2.622 -3.655 516 HD2 HIS 70 2HD HIS 70 -16.125 -5.304 -1.485 517 HE1 HIS 70 1HE HIS 70 -19.637 -2.925 -1.465 518 HE2 HIS 70 2HE HIS 70 -18.174 -4.486 -0.135 519 H LYS 71 H LYS 71 -16.072 -7.087 -5.941 520 HA LYS 71 HA LYS 71 -14.055 -6.952 -7.894 521 HB2 LYS 71 1HB LYS 71 -16.745 -8.198 -7.692 522 HB3 LYS 71 2HB LYS 71 -16.070 -8.014 -9.306 523 HG2 LYS 71 1HG LYS 71 -13.953 -9.098 -8.159 524 HG3 LYS 71 2HG LYS 71 -15.177 -9.729 -7.055 525 HD2 LYS 71 1HD LYS 71 -16.419 -10.597 -9.033 526 HD3 LYS 71 2HD LYS 71 -15.069 -10.086 -10.049 527 HE2 LYS 71 1HE LYS 71 -13.608 -11.514 -8.515 528 HE3 LYS 71 2HE LYS 71 -15.116 -12.205 -7.918 529 HZ1 LYS 71 1HZ LYS 71 -14.363 -13.612 -9.629 530 HZ2 LYS 71 2HZ LYS 71 -14.032 -12.323 -10.672 531 HZ3 LYS 71 3HZ LYS 71 -15.634 -12.723 -10.306 532 H GLY 72 H GLY 72 -14.121 -6.142 -10.047 533 HA2 GLY 72 1HA GLY 72 -14.502 -4.527 -11.632 534 HA3 GLY 72 2HA GLY 72 -16.179 -4.560 -11.109 535 H THR 73 H THR 73 -13.484 -3.724 -9.023 536 HA THR 73 HA THR 73 -14.352 -0.911 -9.085 537 HB THR 73 HB THR 73 -13.713 -2.542 -6.621 538 HG1 THR 73 1HG THR 73 -15.888 -2.004 -6.101 539 HG21 THR 73 1HG2 THR 73 -14.504 -0.274 -5.554 540 HG22 THR 73 2HG2 THR 73 -13.924 0.401 -7.077 541 HG23 THR 73 3HG2 THR 73 -12.823 -0.499 -6.035 542 H THR 74 H THR 74 -12.762 0.603 -9.023 543 HA THR 74 HA THR 74 -10.033 -0.362 -9.337 544 HB THR 74 HB THR 74 -11.125 2.443 -9.633 545 HG1 THR 74 1HG THR 74 -10.273 1.013 -11.851 546 HG21 THR 74 1HG2 THR 74 -8.471 1.252 -10.451 547 HG22 THR 74 2HG2 THR 74 -8.731 2.415 -9.151 548 HG23 THR 74 3HG2 THR 74 -9.023 2.884 -10.826 549 H TYR 75 H TYR 75 -8.408 -0.042 -7.921 550 HA TYR 75 HA TYR 75 -8.988 1.561 -5.517 551 HB2 TYR 75 1HB TYR 75 -7.811 -1.180 -5.777 552 HB3 TYR 75 2HB TYR 75 -7.322 -0.155 -4.433 553 HD1 TYR 75 2HD TYR 75 -10.121 -1.981 -5.959 554 HD2 TYR 75 1HD TYR 75 -8.846 0.350 -2.635 555 HE1 TYR 75 2HE TYR 75 -12.135 -2.658 -4.719 556 HE2 TYR 75 1HE TYR 75 -10.856 -0.321 -1.386 557 HH TYR 75 HH TYR 75 -13.257 -1.129 -2.059 558 H ILE 76 H ILE 76 -6.975 2.228 -4.341 559 HA ILE 76 HA ILE 76 -4.719 2.666 -6.176 560 HB ILE 76 HB ILE 76 -5.705 4.798 -4.292 561 HG12 ILE 76 1HG1 ILE 76 -6.137 4.994 -7.240 562 HG13 ILE 76 2HG1 ILE 76 -7.263 4.025 -6.294 563 HG21 ILE 76 1HG2 ILE 76 -4.224 6.241 -5.431 564 HG22 ILE 76 2HG2 ILE 76 -3.316 4.762 -5.121 565 HG23 ILE 76 3HG2 ILE 76 -3.968 5.075 -6.729 566 HD11 ILE 76 1HD1 ILE 76 -8.339 5.848 -5.671 567 HD12 ILE 76 2HD1 ILE 76 -6.861 6.526 -4.988 568 HD13 ILE 76 3HD1 ILE 76 -7.259 6.807 -6.683 569 H PHE 77 H PHE 77 -3.237 1.372 -5.235 570 HA PHE 77 HA PHE 77 -2.919 1.363 -2.344 571 HB2 PHE 77 1HB PHE 77 -1.713 -0.247 -4.583 572 HB3 PHE 77 2HB PHE 77 -1.063 -0.321 -2.949 573 HD1 PHE 77 2HD PHE 77 -2.372 -1.287 -1.132 574 HD2 PHE 77 1HD PHE 77 -3.820 -1.242 -5.135 575 HE1 PHE 77 2HE PHE 77 -4.066 -2.968 -0.535 576 HE2 PHE 77 1HE PHE 77 -5.517 -2.923 -4.543 577 HZ PHE 77 HZ PHE 77 -5.641 -3.789 -2.241 578 H ARG 78 H ARG 78 -1.288 2.301 -1.241 579 HA ARG 78 HA ARG 78 0.938 3.482 -2.740 580 HB2 ARG 78 1HB ARG 78 -0.931 4.927 -0.873 581 HB3 ARG 78 2HB ARG 78 0.693 5.517 -1.196 582 HG2 ARG 78 1HG ARG 78 0.203 5.812 -3.513 583 HG3 ARG 78 2HG ARG 78 -1.355 5.001 -3.337 584 HD2 ARG 78 1HD ARG 78 -1.839 6.869 -1.601 585 HD3 ARG 78 2HD ARG 78 -0.513 7.715 -2.398 586 HE ARG 78 HE ARG 78 -2.235 6.869 -4.395 587 HH11 ARG 78 2HH1 ARG 78 -2.338 8.981 -1.629 588 HH12 ARG 78 1HH1 ARG 78 -3.526 10.038 -2.317 589 HH21 ARG 78 2HH2 ARG 78 -3.800 8.253 -5.311 590 HH22 ARG 78 1HH2 ARG 78 -4.358 9.622 -4.411 591 H LEU 79 H LEU 79 2.871 3.336 -1.738 592 HA LEU 79 HA LEU 79 2.909 2.545 1.093 593 HB2 LEU 79 1HB LEU 79 3.221 0.569 -0.343 594 HB3 LEU 79 2HB LEU 79 4.610 1.354 -1.093 595 HG LEU 79 HG LEU 79 5.628 1.390 1.254 596 HD11 LEU 79 1HD1 LEU 79 4.605 -0.809 2.417 597 HD12 LEU 79 2HD1 LEU 79 3.142 -0.123 1.712 598 HD13 LEU 79 3HD1 LEU 79 4.115 0.835 2.828 599 HD21 LEU 79 1HD2 LEU 79 5.648 -1.396 0.806 600 HD22 LEU 79 2HD2 LEU 79 6.850 -0.203 0.312 601 HD23 LEU 79 3HD2 LEU 79 5.521 -0.618 -0.771 602 H ALA 80 H ALA 80 4.944 2.970 2.184 603 HA ALA 80 HA ALA 80 6.796 4.780 0.855 604 HB1 ALA 80 1HB ALA 80 6.584 6.528 2.524 605 HB2 ALA 80 2HB ALA 80 5.034 6.254 1.726 606 HB3 ALA 80 3HB ALA 80 5.316 5.617 3.346 607 H ALA 81 H ALA 81 8.830 4.784 1.745 608 HA ALA 81 HA ALA 81 9.366 2.672 3.666 609 HB1 ALA 81 1HB ALA 81 11.091 4.340 1.868 610 HB2 ALA 81 2HB ALA 81 11.788 3.343 3.145 611 HB3 ALA 81 3HB ALA 81 10.841 2.594 1.860 612 H LYS 82 H LYS 82 10.372 2.945 5.647 613 HA LYS 82 HA LYS 82 10.531 5.716 6.636 614 HB2 LYS 82 1HB LYS 82 8.608 4.170 7.480 615 HB3 LYS 82 2HB LYS 82 9.872 3.407 8.436 616 HG2 LYS 82 1HG LYS 82 10.370 5.902 9.131 617 HG3 LYS 82 2HG LYS 82 8.678 6.114 8.676 618 HD2 LYS 82 1HD LYS 82 9.630 3.982 10.580 619 HD3 LYS 82 2HD LYS 82 9.087 5.579 11.102 620 HE2 LYS 82 1HE LYS 82 6.905 5.187 10.128 621 HE3 LYS 82 2HE LYS 82 7.440 3.635 9.486 622 HZ1 LYS 82 1HZ LYS 82 7.899 3.028 11.887 623 HZ2 LYS 82 2HZ LYS 82 6.274 3.130 11.430 624 HZ3 LYS 82 3HZ LYS 82 6.985 4.387 12.310 625 H ASN 83 H ASN 83 12.506 6.285 7.239 626 HA ASN 83 HA ASN 83 14.364 4.177 8.129 627 HB2 ASN 83 1HB ASN 83 16.190 5.629 7.266 628 HB3 ASN 83 2HB ASN 83 15.089 5.088 6.002 629 HD21 ASN 83 1HD2 ASN 83 16.379 7.036 5.108 630 HD22 ASN 83 2HD2 ASN 83 15.573 8.560 5.225 631 H ARG 84 H ARG 84 16.334 5.408 9.297 632 HA ARG 84 HA ARG 84 15.550 6.070 11.817 633 HB2 ARG 84 1HB ARG 84 17.938 5.784 10.702 634 HB3 ARG 84 2HB ARG 84 17.899 7.542 10.715 635 HG2 ARG 84 1HG ARG 84 17.827 5.653 13.041 636 HG3 ARG 84 2HG ARG 84 18.985 6.938 12.695 637 HD2 ARG 84 1HD ARG 84 16.978 8.526 12.908 638 HD3 ARG 84 2HD ARG 84 16.157 7.165 13.671 639 HE ARG 84 HE ARG 84 18.734 7.820 14.799 640 HH11 ARG 84 2HH1 ARG 84 15.294 8.343 14.917 641 HH12 ARG 84 1HH1 ARG 84 15.301 8.880 16.564 642 HH21 ARG 84 2HH2 ARG 84 18.755 8.525 16.968 643 HH22 ARG 84 1HH2 ARG 84 17.270 8.984 17.730 644 H ALA 85 H ALA 85 15.894 8.257 9.069 645 HA ALA 85 HA ALA 85 15.368 10.631 10.569 646 HB1 ALA 85 1HB ALA 85 16.248 11.493 8.723 647 HB2 ALA 85 2HB ALA 85 16.067 9.961 7.866 648 HB3 ALA 85 3HB ALA 85 14.741 11.124 7.884 649 H GLY 86 H GLY 86 13.414 8.286 8.867 650 HA2 GLY 86 1HA GLY 86 11.084 8.267 9.911 651 HA3 GLY 86 2HA GLY 86 11.021 9.936 9.364 652 H LEU 87 H LEU 87 9.082 9.162 8.225 653 HA LEU 87 HA LEU 87 9.297 7.293 6.094 654 HB2 LEU 87 1HB LEU 87 7.248 9.471 6.463 655 HB3 LEU 87 2HB LEU 87 7.090 8.034 5.454 656 HG LEU 87 HG LEU 87 7.485 7.752 8.407 657 HD11 LEU 87 1HD1 LEU 87 4.707 7.693 7.515 658 HD12 LEU 87 2HD1 LEU 87 5.443 9.294 7.436 659 HD13 LEU 87 3HD1 LEU 87 5.423 8.407 8.960 660 HD21 LEU 87 1HD2 LEU 87 7.433 5.909 6.495 661 HD22 LEU 87 2HD2 LEU 87 5.695 6.056 6.757 662 HD23 LEU 87 3HD2 LEU 87 6.755 5.620 8.098 663 H GLY 88 H GLY 88 9.291 7.674 3.845 664 HA2 GLY 88 1HA GLY 88 10.242 10.361 3.063 665 HA3 GLY 88 2HA GLY 88 10.975 8.892 2.436 666 H GLU 89 H GLU 89 10.530 9.315 0.292 667 HA GLU 89 HA GLU 89 8.158 10.235 -0.795 668 HB2 GLU 89 1HB GLU 89 10.430 8.609 -1.815 669 HB3 GLU 89 2HB GLU 89 8.966 8.650 -2.788 670 HG2 GLU 89 1HG GLU 89 10.636 10.999 -1.929 671 HG3 GLU 89 2HG GLU 89 10.475 10.343 -3.557 672 H GLU 90 H GLU 90 6.607 8.976 -2.162 673 HA GLU 90 HA GLU 90 6.017 6.326 -1.044 674 HB2 GLU 90 1HB GLU 90 3.617 6.909 -0.948 675 HB3 GLU 90 2HB GLU 90 4.590 7.876 0.151 676 HG2 GLU 90 1HG GLU 90 4.243 9.803 -1.007 677 HG3 GLU 90 2HG GLU 90 4.051 8.972 -2.550 678 H PHE 91 H PHE 91 5.076 4.875 -2.445 679 HA PHE 91 HA PHE 91 5.149 5.651 -5.264 680 HB2 PHE 91 1HB PHE 91 6.457 3.676 -4.565 681 HB3 PHE 91 2HB PHE 91 4.975 2.900 -4.016 682 HD1 PHE 91 2HD PHE 91 3.106 2.639 -5.812 683 HD2 PHE 91 1HD PHE 91 7.219 3.282 -6.701 684 HE1 PHE 91 2HE PHE 91 2.762 1.705 -8.062 685 HE2 PHE 91 1HE PHE 91 6.881 2.350 -8.953 686 HZ PHE 91 HZ PHE 91 4.651 1.559 -9.636 687 H GLU 92 H GLU 92 3.445 5.211 -6.694 688 HA GLU 92 HA GLU 92 0.845 4.707 -5.401 689 HB2 GLU 92 1HB GLU 92 0.982 7.043 -6.021 690 HB3 GLU 92 2HB GLU 92 1.493 6.619 -7.649 691 HG2 GLU 92 1HG GLU 92 -0.760 5.375 -7.789 692 HG3 GLU 92 2HG GLU 92 -1.205 6.354 -6.392 693 H LYS 93 H LYS 93 -0.471 3.233 -6.322 694 HA LYS 93 HA LYS 93 0.116 2.270 -9.020 695 HB2 LYS 93 1HB LYS 93 1.216 0.892 -7.041 696 HB3 LYS 93 2HB LYS 93 -0.402 0.213 -6.919 697 HG2 LYS 93 1HG LYS 93 1.227 0.246 -9.449 698 HG3 LYS 93 2HG LYS 93 1.162 -1.110 -8.321 699 HD2 LYS 93 1HD LYS 93 -1.351 -1.076 -8.638 700 HD3 LYS 93 2HD LYS 93 -1.075 0.041 -9.977 701 HE2 LYS 93 1HE LYS 93 0.206 -2.679 -9.766 702 HE3 LYS 93 2HE LYS 93 -1.299 -2.370 -10.631 703 HZ1 LYS 93 1HZ LYS 93 0.192 -0.545 -11.766 704 HZ2 LYS 93 2HZ LYS 93 0.178 -2.142 -12.322 705 HZ3 LYS 93 3HZ LYS 93 1.436 -1.604 -11.327 706 H GLU 94 H GLU 94 -1.687 1.999 -10.167 707 HA GLU 94 HA GLU 94 -4.244 1.901 -8.713 708 HB2 GLU 94 1HB GLU 94 -3.821 3.864 -10.222 709 HB3 GLU 94 2HB GLU 94 -3.789 2.745 -11.577 710 HG2 GLU 94 1HG GLU 94 -6.134 2.038 -10.609 711 HG3 GLU 94 2HG GLU 94 -6.078 3.661 -9.924 712 H ILE 95 H ILE 95 -5.442 0.122 -8.841 713 HA ILE 95 HA ILE 95 -5.037 -1.702 -11.112 714 HB ILE 95 HB ILE 95 -5.051 -3.632 -9.724 715 HG12 ILE 95 1HG1 ILE 95 -6.688 -2.921 -8.066 716 HG13 ILE 95 2HG1 ILE 95 -5.231 -3.490 -7.259 717 HG21 ILE 95 1HG2 ILE 95 -3.043 -1.691 -9.586 718 HG22 ILE 95 2HG2 ILE 95 -3.220 -2.312 -7.946 719 HG23 ILE 95 3HG2 ILE 95 -2.886 -3.420 -9.277 720 HD11 ILE 95 1HD1 ILE 95 -4.612 -0.933 -7.326 721 HD12 ILE 95 2HD1 ILE 95 -6.364 -0.757 -7.431 722 HD13 ILE 95 3HD1 ILE 95 -5.643 -1.604 -6.063 723 H ARG 96 H ARG 96 -6.836 -3.551 -10.837 724 HA ARG 96 HA ARG 96 -9.367 -2.532 -9.885 725 HB2 ARG 96 1HB ARG 96 -9.005 -1.518 -12.182 726 HB3 ARG 96 2HB ARG 96 -9.096 -3.152 -12.825 727 HG2 ARG 96 1HG ARG 96 -11.354 -3.391 -12.115 728 HG3 ARG 96 2HG ARG 96 -11.281 -1.891 -11.189 729 HD2 ARG 96 1HD ARG 96 -10.689 -0.828 -13.495 730 HD3 ARG 96 2HD ARG 96 -11.423 -2.293 -14.146 731 HE ARG 96 HE ARG 96 -13.220 -1.298 -12.310 732 HH11 ARG 96 2HH1 ARG 96 -11.715 -0.185 -15.245 733 HH12 ARG 96 1HH1 ARG 96 -13.049 0.822 -15.702 734 HH21 ARG 96 2HH2 ARG 96 -14.983 0.023 -12.901 735 HH22 ARG 96 1HH2 ARG 96 -14.907 0.940 -14.367 736 H THR 97 H THR 97 -10.337 -4.205 -8.970 737 HA THR 97 HA THR 97 -9.489 -6.862 -9.220 738 HB THR 97 HB THR 97 -11.657 -7.440 -8.074 739 HG1 THR 97 1HG THR 97 -12.059 -4.643 -7.869 740 HG21 THR 97 1HG2 THR 97 -10.713 -6.925 -6.097 741 HG22 THR 97 2HG2 THR 97 -10.655 -5.201 -6.467 742 HG23 THR 97 3HG2 THR 97 -9.398 -6.276 -7.076 743 HA PRO 98 HA PRO 98 -11.404 -8.096 -13.010 744 HB2 PRO 98 1HB PRO 98 -11.116 -10.777 -12.696 745 HB3 PRO 98 2HB PRO 98 -9.772 -9.710 -13.119 746 HG2 PRO 98 1HG PRO 98 -10.527 -10.839 -10.452 747 HG3 PRO 98 2HG PRO 98 -8.921 -10.688 -11.189 748 HD2 PRO 98 1HD PRO 98 -9.836 -8.954 -9.321 749 HD3 PRO 98 2HD PRO 98 -8.732 -8.462 -10.622 750 H GLU 99 H GLU 99 -13.556 -7.834 -13.137 751 HA GLU 99 HA GLU 99 -15.472 -8.571 -11.289 752 HB2 GLU 99 1HB GLU 99 -15.872 -8.442 -14.282 753 HB3 GLU 99 2HB GLU 99 -17.115 -8.272 -13.051 754 HG2 GLU 99 1HG GLU 99 -15.605 -6.289 -12.244 755 HG3 GLU 99 2HG GLU 99 -15.012 -6.350 -13.902 756 H ASP 100 H ASP 100 -17.373 -10.130 -11.987 757 HA ASP 100 HA ASP 100 -16.168 -12.777 -12.127 758 HB2 ASP 100 1HB ASP 100 -17.825 -12.283 -10.362 759 HB3 ASP 100 2HB ASP 100 -19.038 -11.973 -11.601 760 H LEU 101 H LEU 101 -16.556 -14.276 -13.704 761 HA LEU 101 HA LEU 101 -17.550 -13.236 -16.226 762 HB2 LEU 101 1HB LEU 101 -16.370 -14.894 -17.250 763 HB3 LEU 101 2HB LEU 101 -15.441 -14.729 -15.762 764 HG LEU 101 HG LEU 101 -16.934 -16.664 -14.901 765 HD11 LEU 101 1HD1 LEU 101 -18.185 -16.345 -17.290 766 HD12 LEU 101 2HD1 LEU 101 -18.212 -17.824 -16.330 767 HD13 LEU 101 3HD1 LEU 101 -17.062 -17.656 -17.656 768 HD21 LEU 101 1HD2 LEU 101 -15.299 -18.023 -16.772 769 HD22 LEU 101 2HD2 LEU 101 -14.980 -17.698 -15.068 770 HD23 LEU 101 3HD2 LEU 101 -14.460 -16.545 -16.299 771 H SER 102 H SER 102 -19.300 -14.007 -17.354 772 HA SER 102 HA SER 102 -20.853 -16.223 -16.325 773 HB2 SER 102 1HB SER 102 -22.875 -14.995 -15.920 774 HB3 SER 102 2HB SER 102 -21.591 -14.201 -15.008 775 HG SER 102 HG SER 102 -21.938 -12.468 -16.129 776 H GLY 103 H GLY 103 -21.339 -17.368 -18.069 777 HA2 GLY 103 1HA GLY 103 -22.801 -16.334 -20.251 778 HA3 GLY 103 2HA GLY 103 -21.109 -16.470 -20.706 779 HA PRO 104 HA PRO 104 -22.972 -20.894 -19.849 780 HB2 PRO 104 1HB PRO 104 -25.632 -21.048 -20.365 781 HB3 PRO 104 2HB PRO 104 -24.984 -20.709 -18.756 782 HG2 PRO 104 1HG PRO 104 -26.069 -18.810 -20.800 783 HG3 PRO 104 2HG PRO 104 -26.341 -18.843 -19.048 784 HD2 PRO 104 1HD PRO 104 -24.586 -17.145 -20.218 785 HD3 PRO 104 2HD PRO 104 -24.334 -17.806 -18.590 786 H SER 105 H SER 105 -23.317 -18.669 -22.337 787 HA SER 105 HA SER 105 -24.386 -20.247 -24.411 788 HB2 SER 105 1HB SER 105 -23.209 -18.599 -25.918 789 HB3 SER 105 2HB SER 105 -24.264 -17.868 -24.709 790 HG SER 105 HG SER 105 -22.430 -17.418 -23.459 791 H SER 106 H SER 106 -23.493 -21.662 -25.822 792 HA SER 106 HA SER 106 -20.607 -22.188 -25.598 793 HB2 SER 106 1HB SER 106 -21.753 -23.913 -24.319 794 HB3 SER 106 2HB SER 106 -22.819 -24.254 -25.681 795 HG SER 106 HG SER 106 -20.913 -25.667 -25.372 796 H GLY 107 H GLY 107 -19.641 -21.965 -27.497 797 HA2 GLY 107 1HA GLY 107 -21.260 -22.263 -29.939 798 HA3 GLY 107 2HA GLY 107 -19.787 -21.313 -29.808 Start of MODEL 7 1 H1 GLY 1 H GLY 1 16.277 25.447 13.480 2 HA2 GLY 1 1HA GLY 1 16.397 23.797 11.752 3 HA3 GLY 1 2HA GLY 1 16.431 25.345 10.920 4 H SER 2 H SER 2 18.071 22.439 11.502 5 HA SER 2 HA SER 2 20.469 23.489 10.145 6 HB2 SER 2 1HB SER 2 20.876 22.780 12.509 7 HB3 SER 2 2HB SER 2 20.377 21.149 12.062 8 HG SER 2 HG SER 2 22.384 20.896 11.513 9 H SER 3 H SER 3 18.424 20.627 10.617 10 HA SER 3 HA SER 3 19.520 19.360 8.247 11 HB2 SER 3 1HB SER 3 17.342 18.482 10.158 12 HB3 SER 3 2HB SER 3 17.955 17.511 8.820 13 HG SER 3 HG SER 3 19.797 18.542 10.648 14 H GLY 4 H GLY 4 17.759 18.272 6.788 15 HA2 GLY 4 1HA GLY 4 15.799 20.369 6.080 16 HA3 GLY 4 2HA GLY 4 16.683 19.434 4.882 17 H SER 5 H SER 5 15.505 17.922 3.939 18 HA SER 5 HA SER 5 13.479 16.514 5.547 19 HB2 SER 5 1HB SER 5 12.007 16.451 3.588 20 HB3 SER 5 2HB SER 5 12.386 18.117 4.024 21 HG SER 5 HG SER 5 13.767 16.646 2.030 22 H SER 6 H SER 6 16.124 15.640 5.148 23 HA SER 6 HA SER 6 16.502 13.902 2.997 24 HB2 SER 6 1HB SER 6 18.150 12.750 4.505 25 HB3 SER 6 2HB SER 6 18.366 14.497 4.402 26 HG SER 6 HG SER 6 17.681 12.934 6.549 27 H GLY 7 H GLY 7 14.906 12.510 2.459 28 HA2 GLY 7 1HA GLY 7 14.204 10.480 4.480 29 HA3 GLY 7 2HA GLY 7 12.952 11.234 3.503 30 HA PRO 8 HA PRO 8 14.841 7.389 1.443 31 HB2 PRO 8 1HB PRO 8 12.755 5.693 1.822 32 HB3 PRO 8 2HB PRO 8 14.094 5.839 2.966 33 HG2 PRO 8 1HG PRO 8 11.366 7.067 3.076 34 HG3 PRO 8 2HG PRO 8 12.304 6.307 4.375 35 HD2 PRO 8 1HD PRO 8 12.140 8.993 4.076 36 HD3 PRO 8 2HD PRO 8 13.586 8.191 4.722 37 H GLY 9 H GLY 9 14.151 6.523 -0.575 38 HA2 GLY 9 1HA GLY 9 12.470 8.304 -2.065 39 HA3 GLY 9 2HA GLY 9 13.277 6.871 -2.684 40 H ARG 10 H ARG 10 11.495 6.164 -3.851 41 HA ARG 10 HA ARG 10 9.096 5.476 -2.303 42 HB2 ARG 10 1HB ARG 10 9.467 5.550 -5.303 43 HB3 ARG 10 2HB ARG 10 7.954 5.278 -4.448 44 HG2 ARG 10 1HG ARG 10 7.828 7.494 -3.724 45 HG3 ARG 10 2HG ARG 10 9.533 7.795 -4.064 46 HD2 ARG 10 1HD ARG 10 7.645 7.064 -6.268 47 HD3 ARG 10 2HD ARG 10 7.731 8.723 -5.679 48 HE ARG 10 HE ARG 10 10.311 7.682 -6.292 49 HH11 ARG 10 2HH1 ARG 10 7.433 9.033 -7.710 50 HH12 ARG 10 1HH1 ARG 10 8.254 9.651 -9.105 51 HH21 ARG 10 2HH2 ARG 10 11.402 8.490 -8.125 52 HH22 ARG 10 1HH2 ARG 10 10.511 9.341 -9.341 53 HA PRO 11 HA PRO 11 10.502 1.260 -2.368 54 HB2 PRO 11 1HB PRO 11 8.279 0.191 -1.234 55 HB3 PRO 11 2HB PRO 11 9.505 1.064 -0.307 56 HG2 PRO 11 1HG PRO 11 6.869 2.032 -1.345 57 HG3 PRO 11 2HG PRO 11 7.620 2.313 0.237 58 HD2 PRO 11 1HD PRO 11 7.669 4.156 -1.746 59 HD3 PRO 11 2HD PRO 11 8.986 3.986 -0.568 60 H THR 12 H THR 12 9.990 -0.695 -3.436 61 HA THR 12 HA THR 12 8.325 -0.324 -5.791 62 HB THR 12 HB THR 12 10.086 -2.669 -5.055 63 HG1 THR 12 1HG THR 12 11.328 -0.795 -5.353 64 HG21 THR 12 1HG2 THR 12 8.201 -2.208 -7.196 65 HG22 THR 12 2HG2 THR 12 9.100 -3.671 -6.788 66 HG23 THR 12 3HG2 THR 12 9.831 -2.446 -7.826 67 H MET 13 H MET 13 6.209 -0.639 -5.392 68 HA MET 13 HA MET 13 5.377 -2.880 -3.711 69 HB2 MET 13 1HB MET 13 4.401 -0.567 -3.432 70 HB3 MET 13 2HB MET 13 3.626 -0.783 -4.996 71 HG2 MET 13 1HG MET 13 2.185 -2.405 -4.208 72 HG3 MET 13 2HG MET 13 3.217 -2.798 -2.834 73 HE1 MET 13 1HE MET 13 2.205 0.703 -4.143 74 HE2 MET 13 2HE MET 13 0.649 -0.114 -4.299 75 HE3 MET 13 3HE MET 13 0.861 1.158 -3.094 76 H MET 14 H MET 14 4.260 -4.627 -4.447 77 HA MET 14 HA MET 14 3.626 -4.728 -7.317 78 HB2 MET 14 1HB MET 14 4.938 -6.935 -5.720 79 HB3 MET 14 2HB MET 14 4.439 -7.045 -7.402 80 HG2 MET 14 1HG MET 14 6.010 -5.044 -7.776 81 HG3 MET 14 2HG MET 14 6.683 -5.474 -6.205 82 HE1 MET 14 1HE MET 14 8.337 -6.640 -5.832 83 HE2 MET 14 2HE MET 14 8.845 -8.177 -6.530 84 HE3 MET 14 3HE MET 14 9.427 -6.661 -7.219 85 H ILE 15 H ILE 15 1.482 -4.878 -7.415 86 HA ILE 15 HA ILE 15 0.069 -6.487 -5.406 87 HB ILE 15 HB ILE 15 -1.107 -4.542 -7.394 88 HG12 ILE 15 1HG1 ILE 15 -0.944 -3.975 -4.467 89 HG13 ILE 15 2HG1 ILE 15 0.502 -3.739 -5.443 90 HG21 ILE 15 1HG2 ILE 15 -2.468 -5.382 -4.888 91 HG22 ILE 15 2HG2 ILE 15 -3.152 -4.904 -6.441 92 HG23 ILE 15 3HG2 ILE 15 -2.442 -6.507 -6.246 93 HD11 ILE 15 1HD1 ILE 15 -0.265 -1.732 -5.956 94 HD12 ILE 15 2HD1 ILE 15 -1.568 -2.509 -6.856 95 HD13 ILE 15 3HD1 ILE 15 -1.806 -2.066 -5.166 96 H SER 16 H SER 16 -0.633 -8.439 -5.934 97 HA SER 16 HA SER 16 -1.284 -9.005 -8.747 98 HB2 SER 16 1HB SER 16 0.580 -10.470 -6.932 99 HB3 SER 16 2HB SER 16 -0.389 -11.411 -8.065 100 HG SER 16 HG SER 16 0.968 -9.160 -9.020 101 H THR 17 H THR 17 -3.212 -9.920 -9.036 102 HA THR 17 HA THR 17 -4.830 -10.553 -6.722 103 HB THR 17 HB THR 17 -6.691 -10.711 -8.229 104 HG1 THR 17 1HG THR 17 -5.602 -11.848 -9.925 105 HG21 THR 17 1HG2 THR 17 -5.546 -8.511 -9.700 106 HG22 THR 17 2HG2 THR 17 -5.082 -8.432 -8.000 107 HG23 THR 17 3HG2 THR 17 -6.786 -8.493 -8.447 108 H THR 18 H THR 18 -5.141 -12.520 -5.920 109 HA THR 18 HA THR 18 -4.499 -14.844 -7.617 110 HB THR 18 HB THR 18 -3.824 -16.053 -5.588 111 HG1 THR 18 1HG THR 18 -4.088 -13.550 -4.251 112 HG21 THR 18 1HG2 THR 18 -1.745 -14.780 -5.111 113 HG22 THR 18 2HG2 THR 18 -2.413 -13.417 -6.007 114 HG23 THR 18 3HG2 THR 18 -2.081 -14.938 -6.834 115 H ALA 19 H ALA 19 -6.155 -14.250 -4.512 116 HA ALA 19 HA ALA 19 -8.162 -16.233 -5.190 117 HB1 ALA 19 1HB ALA 19 -7.104 -15.110 -2.777 118 HB2 ALA 19 2HB ALA 19 -8.862 -14.958 -2.786 119 HB3 ALA 19 3HB ALA 19 -8.113 -16.541 -2.994 120 H MET 20 H MET 20 -10.491 -15.707 -4.776 121 HA MET 20 HA MET 20 -11.269 -13.508 -6.406 122 HB2 MET 20 1HB MET 20 -12.976 -15.269 -4.638 123 HB3 MET 20 2HB MET 20 -13.561 -14.217 -5.920 124 HG2 MET 20 1HG MET 20 -13.545 -16.201 -7.022 125 HG3 MET 20 2HG MET 20 -11.915 -15.643 -7.389 126 HE1 MET 20 1HE MET 20 -10.883 -18.370 -7.810 127 HE2 MET 20 2HE MET 20 -10.106 -16.870 -7.302 128 HE3 MET 20 3HE MET 20 -9.777 -18.371 -6.436 129 H ASN 21 H ASN 21 -11.566 -11.464 -5.832 130 HA ASN 21 HA ASN 21 -12.044 -9.603 -4.608 131 HB2 ASN 21 1HB ASN 21 -13.055 -11.376 -2.391 132 HB3 ASN 21 2HB ASN 21 -13.543 -9.729 -2.779 133 HD21 ASN 21 1HD2 ASN 21 -15.316 -9.470 -3.936 134 HD22 ASN 21 2HD2 ASN 21 -16.113 -10.698 -4.853 135 H THR 22 H THR 22 -9.534 -11.158 -4.358 136 HA THR 22 HA THR 22 -8.561 -9.858 -1.918 137 HB THR 22 HB THR 22 -7.443 -11.724 -1.080 138 HG1 THR 22 1HG THR 22 -7.611 -12.635 -3.719 139 HG21 THR 22 1HG2 THR 22 -9.099 -13.363 -0.705 140 HG22 THR 22 2HG2 THR 22 -9.863 -13.063 -2.266 141 HG23 THR 22 3HG2 THR 22 -9.985 -11.863 -0.979 142 H ALA 23 H ALA 23 -6.638 -8.864 -2.155 143 HA ALA 23 HA ALA 23 -5.141 -9.372 -4.644 144 HB1 ALA 23 1HB ALA 23 -5.745 -6.775 -3.259 145 HB2 ALA 23 2HB ALA 23 -4.440 -6.936 -4.435 146 HB3 ALA 23 3HB ALA 23 -6.107 -7.246 -4.920 147 H LEU 24 H LEU 24 -3.126 -10.054 -4.367 148 HA LEU 24 HA LEU 24 -1.971 -10.184 -1.739 149 HB2 LEU 24 1HB LEU 24 -1.694 -12.006 -3.336 150 HB3 LEU 24 2HB LEU 24 -0.839 -10.925 -4.434 151 HG LEU 24 HG LEU 24 1.036 -10.793 -2.954 152 HD11 LEU 24 1HD1 LEU 24 0.895 -12.366 -0.865 153 HD12 LEU 24 2HD1 LEU 24 -0.835 -12.061 -1.013 154 HD13 LEU 24 3HD1 LEU 24 0.281 -10.714 -0.791 155 HD21 LEU 24 1HD2 LEU 24 1.225 -13.480 -2.568 156 HD22 LEU 24 2HD2 LEU 24 1.569 -12.653 -4.087 157 HD23 LEU 24 3HD2 LEU 24 -0.012 -13.389 -3.821 158 H LEU 25 H LEU 25 -0.549 -8.836 -0.837 159 HA LEU 25 HA LEU 25 0.543 -6.672 -2.507 160 HB2 LEU 25 1HB LEU 25 -0.057 -6.801 0.440 161 HB3 LEU 25 2HB LEU 25 0.839 -5.483 -0.312 162 HG LEU 25 HG LEU 25 -2.042 -6.225 -0.807 163 HD11 LEU 25 1HD1 LEU 25 -2.591 -4.664 0.680 164 HD12 LEU 25 2HD1 LEU 25 -1.429 -3.515 0.017 165 HD13 LEU 25 3HD1 LEU 25 -0.908 -4.708 1.206 166 HD21 LEU 25 1HD2 LEU 25 -1.982 -4.068 -2.157 167 HD22 LEU 25 2HD2 LEU 25 -1.248 -5.493 -2.892 168 HD23 LEU 25 3HD2 LEU 25 -0.228 -4.252 -2.162 169 H GLN 26 H GLN 26 2.639 -6.739 -2.938 170 HA GLN 26 HA GLN 26 4.495 -7.776 -0.934 171 HB2 GLN 26 1HB GLN 26 4.591 -8.680 -3.814 172 HB3 GLN 26 2HB GLN 26 5.641 -9.204 -2.505 173 HG2 GLN 26 1HG GLN 26 3.967 -10.476 -1.506 174 HG3 GLN 26 2HG GLN 26 2.684 -9.645 -2.385 175 HE21 GLN 26 1HE2 GLN 26 3.768 -12.526 -2.116 176 HE22 GLN 26 2HE2 GLN 26 3.780 -13.088 -3.750 177 H TRP 27 H TRP 27 5.951 -6.242 -0.613 178 HA TRP 27 HA TRP 27 6.895 -4.690 -2.932 179 HB2 TRP 27 1HB TRP 27 7.144 -2.740 -1.408 180 HB3 TRP 27 2HB TRP 27 5.470 -3.249 -1.610 181 HD1 TRP 27 HD TRP 27 8.253 -3.071 0.997 182 HE1 TRP 27 1HE TRP 27 7.234 -3.483 3.324 183 HE3 TRP 27 3HE TRP 27 3.532 -4.436 -0.413 184 HZ2 TRP 27 2HZ TRP 27 4.757 -4.282 4.418 185 HZ3 TRP 27 3HZ TRP 27 1.899 -5.010 1.335 186 HH2 TRP 27 HH TRP 27 2.501 -4.934 3.700 187 H HIS 28 H HIS 28 8.995 -3.431 -2.199 188 HA HIS 28 HA HIS 28 10.688 -5.165 -0.551 189 HB2 HIS 28 1HB HIS 28 11.041 -4.543 -3.447 190 HB3 HIS 28 2HB HIS 28 12.481 -4.640 -2.439 191 HD1 HIS 28 1HD HIS 28 12.590 -7.000 -0.988 192 HD2 HIS 28 2HD HIS 28 10.268 -6.937 -4.432 193 HE1 HIS 28 1HE HIS 28 12.270 -9.411 -1.627 194 HE2 HIS 28 2HE HIS 28 10.934 -9.344 -3.761 195 HA PRO 29 HA PRO 29 12.350 -1.434 1.051 196 HB2 PRO 29 1HB PRO 29 14.924 -2.142 1.543 197 HB3 PRO 29 2HB PRO 29 13.565 -2.729 2.508 198 HG2 PRO 29 1HG PRO 29 15.034 -4.088 0.282 199 HG3 PRO 29 2HG PRO 29 14.486 -4.754 1.832 200 HD2 PRO 29 1HD PRO 29 13.138 -5.152 -0.483 201 HD3 PRO 29 2HD PRO 29 12.322 -5.035 1.090 202 HA PRO 30 HA PRO 30 14.118 0.702 -2.411 203 HB2 PRO 30 1HB PRO 30 14.556 3.073 -1.162 204 HB3 PRO 30 2HB PRO 30 12.950 2.537 -1.669 205 HG2 PRO 30 1HG PRO 30 14.221 2.414 1.038 206 HG3 PRO 30 2HG PRO 30 12.567 2.877 0.599 207 HD2 PRO 30 1HD PRO 30 13.183 0.426 1.569 208 HD3 PRO 30 2HD PRO 30 11.871 0.689 0.403 209 H LYS 31 H LYS 31 16.123 1.605 -3.087 210 HA LYS 31 HA LYS 31 18.379 0.778 -1.401 211 HB2 LYS 31 1HB LYS 31 18.290 1.388 -4.362 212 HB3 LYS 31 2HB LYS 31 19.703 0.827 -3.477 213 HG2 LYS 31 1HG LYS 31 17.214 -0.803 -3.392 214 HG3 LYS 31 2HG LYS 31 18.216 -0.837 -4.844 215 HD2 LYS 31 1HD LYS 31 19.371 -1.278 -2.105 216 HD3 LYS 31 2HD LYS 31 18.680 -2.599 -3.050 217 HE2 LYS 31 1HE LYS 31 20.910 -0.784 -3.964 218 HE3 LYS 31 2HE LYS 31 21.126 -2.409 -3.314 219 HZ1 LYS 31 1HZ LYS 31 21.143 -2.736 -5.587 220 HZ2 LYS 31 2HZ LYS 31 19.934 -1.591 -5.883 221 HZ3 LYS 31 3HZ LYS 31 19.535 -3.083 -5.194 222 H GLU 32 H GLU 32 16.717 3.525 -2.410 223 HA GLU 32 HA GLU 32 19.057 5.268 -2.182 224 HB2 GLU 32 1HB GLU 32 16.215 5.797 -3.051 225 HB3 GLU 32 2HB GLU 32 17.417 7.064 -2.854 226 HG2 GLU 32 1HG GLU 32 18.801 5.490 -4.471 227 HG3 GLU 32 2HG GLU 32 17.182 4.976 -4.942 228 H LEU 33 H LEU 33 17.642 3.798 0.059 229 HA LEU 33 HA LEU 33 16.576 5.979 1.658 230 HB2 LEU 33 1HB LEU 33 15.466 3.816 1.731 231 HB3 LEU 33 2HB LEU 33 16.958 3.054 2.281 232 HG LEU 33 HG LEU 33 15.777 5.233 3.934 233 HD11 LEU 33 1HD1 LEU 33 14.805 2.681 4.796 234 HD12 LEU 33 2HD1 LEU 33 14.256 3.009 3.153 235 HD13 LEU 33 3HD1 LEU 33 13.908 4.158 4.444 236 HD21 LEU 33 1HD2 LEU 33 16.587 3.409 5.659 237 HD22 LEU 33 2HD2 LEU 33 17.723 4.523 4.898 238 HD23 LEU 33 3HD2 LEU 33 17.557 2.877 4.285 239 HA PRO 34 HA PRO 34 20.659 6.773 3.290 240 HB2 PRO 34 1HB PRO 34 19.900 8.835 4.884 241 HB3 PRO 34 2HB PRO 34 20.125 9.002 3.139 242 HG2 PRO 34 1HG PRO 34 17.595 8.636 4.697 243 HG3 PRO 34 2HG PRO 34 17.923 9.724 3.336 244 HD2 PRO 34 1HD PRO 34 16.612 7.374 3.038 245 HD3 PRO 34 2HD PRO 34 17.654 8.053 1.771 246 H GLY 35 H GLY 35 20.977 4.914 4.534 247 HA2 GLY 35 1HA GLY 35 21.551 4.633 6.960 248 HA3 GLY 35 2HA GLY 35 19.866 5.025 7.270 249 H GLU 36 H GLU 36 18.569 3.355 7.607 250 HA GLU 36 HA GLU 36 18.904 0.899 6.100 251 HB2 GLU 36 1HB GLU 36 19.199 -0.553 7.940 252 HB3 GLU 36 2HB GLU 36 20.365 0.742 8.174 253 HG2 GLU 36 1HG GLU 36 18.459 1.797 9.616 254 HG3 GLU 36 2HG GLU 36 17.877 0.135 9.691 255 H LEU 37 H LEU 37 17.079 -0.518 6.247 256 HA LEU 37 HA LEU 37 14.608 0.871 6.450 257 HB2 LEU 37 1HB LEU 37 15.087 -1.007 4.884 258 HB3 LEU 37 2HB LEU 37 15.058 -2.103 6.263 259 HG LEU 37 HG LEU 37 12.646 -1.092 6.591 260 HD11 LEU 37 1HD1 LEU 37 11.930 0.238 4.973 261 HD12 LEU 37 2HD1 LEU 37 12.137 -1.075 3.815 262 HD13 LEU 37 3HD1 LEU 37 13.458 0.055 4.112 263 HD21 LEU 37 1HD2 LEU 37 12.737 -2.970 4.316 264 HD22 LEU 37 2HD2 LEU 37 11.888 -3.090 5.857 265 HD23 LEU 37 3HD2 LEU 37 13.612 -3.458 5.768 266 H LEU 38 H LEU 38 13.250 1.081 8.112 267 HA LEU 38 HA LEU 38 13.662 -0.631 10.474 268 HB2 LEU 38 1HB LEU 38 12.858 2.274 10.477 269 HB3 LEU 38 2HB LEU 38 13.101 1.254 11.894 270 HG LEU 38 HG LEU 38 15.343 1.798 9.975 271 HD11 LEU 38 1HD1 LEU 38 14.597 3.489 12.357 272 HD12 LEU 38 2HD1 LEU 38 14.414 3.967 10.670 273 HD13 LEU 38 3HD1 LEU 38 16.022 3.680 11.335 274 HD21 LEU 38 1HD2 LEU 38 16.692 0.925 11.579 275 HD22 LEU 38 2HD2 LEU 38 15.212 0.053 11.981 276 HD23 LEU 38 3HD2 LEU 38 15.671 1.485 12.904 277 H GLY 39 H GLY 39 11.443 0.923 8.302 278 HA2 GLY 39 1HA GLY 39 9.354 -0.863 8.777 279 HA3 GLY 39 2HA GLY 39 9.061 0.549 9.781 280 H TYR 40 H TYR 40 7.139 0.136 8.083 281 HA TYR 40 HA TYR 40 7.255 2.390 6.326 282 HB2 TYR 40 1HB TYR 40 6.462 0.691 4.389 283 HB3 TYR 40 2HB TYR 40 8.130 1.216 4.589 284 HD1 TYR 40 1HD TYR 40 6.097 -1.301 6.455 285 HD2 TYR 40 2HD TYR 40 9.499 -0.559 4.009 286 HE1 TYR 40 1HE TYR 40 6.796 -3.644 6.726 287 HE2 TYR 40 2HE TYR 40 10.206 -2.900 4.272 288 HH TYR 40 HH TYR 40 9.896 -4.774 5.633 289 H ARG 41 H ARG 41 5.210 3.013 5.552 290 HA ARG 41 HA ARG 41 2.977 1.641 6.887 291 HB2 ARG 41 1HB ARG 41 3.132 3.869 7.683 292 HB3 ARG 41 2HB ARG 41 3.384 4.510 6.064 293 HG2 ARG 41 1HG ARG 41 1.025 3.633 5.566 294 HG3 ARG 41 2HG ARG 41 0.853 3.521 7.318 295 HD2 ARG 41 1HD ARG 41 1.801 6.046 6.009 296 HD3 ARG 41 2HD ARG 41 0.081 5.677 6.134 297 HE ARG 41 HE ARG 41 1.167 5.360 8.668 298 HH11 ARG 41 2HH1 ARG 41 0.716 7.914 6.344 299 HH12 ARG 41 1HH1 ARG 41 0.600 9.160 7.542 300 HH21 ARG 41 2HH2 ARG 41 1.016 6.993 10.254 301 HH22 ARG 41 1HH2 ARG 41 0.771 8.635 9.765 302 H LEU 42 H LEU 42 1.002 1.349 5.774 303 HA LEU 42 HA LEU 42 1.236 1.469 2.839 304 HB2 LEU 42 1HB LEU 42 1.256 -0.824 4.112 305 HB3 LEU 42 2HB LEU 42 -0.484 -0.557 4.194 306 HG LEU 42 HG LEU 42 1.201 -0.864 1.713 307 HD11 LEU 42 1HD1 LEU 42 0.292 -2.939 1.474 308 HD12 LEU 42 2HD1 LEU 42 -1.180 -2.520 2.349 309 HD13 LEU 42 3HD1 LEU 42 0.312 -2.835 3.235 310 HD21 LEU 42 1HD2 LEU 42 -1.581 0.139 2.107 311 HD22 LEU 42 2HD2 LEU 42 -1.199 -0.822 0.679 312 HD23 LEU 42 3HD2 LEU 42 -0.335 0.685 0.985 313 H GLN 43 H GLN 43 -0.369 2.445 1.758 314 HA GLN 43 HA GLN 43 -2.896 2.969 3.160 315 HB2 GLN 43 1HB GLN 43 -1.113 4.959 1.782 316 HB3 GLN 43 2HB GLN 43 -2.838 5.252 1.959 317 HG2 GLN 43 1HG GLN 43 -2.693 5.312 4.305 318 HG3 GLN 43 2HG GLN 43 -1.073 4.618 4.300 319 HE21 GLN 43 1HE2 GLN 43 -2.519 7.290 5.085 320 HE22 GLN 43 2HE2 GLN 43 -1.379 8.483 4.572 321 H TYR 44 H TYR 44 -4.497 2.120 2.023 322 HA TYR 44 HA TYR 44 -4.552 2.480 -0.874 323 HB2 TYR 44 1HB TYR 44 -5.038 0.154 -1.321 324 HB3 TYR 44 2HB TYR 44 -3.515 0.257 -0.446 325 HD1 TYR 44 1HD TYR 44 -7.165 -0.227 0.182 326 HD2 TYR 44 2HD TYR 44 -3.182 -1.132 1.375 327 HE1 TYR 44 1HE TYR 44 -8.032 -1.801 1.862 328 HE2 TYR 44 2HE TYR 44 -4.038 -2.709 3.057 329 HH TYR 44 HH TYR 44 -6.063 -4.046 3.466 330 H CYS 45 H CYS 45 -6.549 2.876 -1.648 331 HA CYS 45 HA CYS 45 -8.904 2.101 -0.138 332 HB2 CYS 45 1HB CYS 45 -9.792 4.462 -0.211 333 HB3 CYS 45 2HB CYS 45 -8.473 4.196 0.922 334 HG CYS 45 HG CYS 45 -8.442 6.725 -0.579 335 H ARG 46 H ARG 46 -10.935 2.778 -1.331 336 HA ARG 46 HA ARG 46 -10.772 1.867 -4.003 337 HB2 ARG 46 1HB ARG 46 -12.937 2.972 -2.265 338 HB3 ARG 46 2HB ARG 46 -13.223 2.856 -3.996 339 HG2 ARG 46 1HG ARG 46 -12.437 0.406 -3.715 340 HG3 ARG 46 2HG ARG 46 -12.782 0.675 -2.006 341 HD2 ARG 46 1HD ARG 46 -14.763 1.225 -4.205 342 HD3 ARG 46 2HD ARG 46 -14.662 -0.318 -3.359 343 HE ARG 46 HE ARG 46 -15.909 2.042 -2.419 344 HH11 ARG 46 2HH1 ARG 46 -13.993 -0.661 -1.348 345 HH12 ARG 46 1HH1 ARG 46 -14.610 -0.624 0.270 346 HH21 ARG 46 2HH2 ARG 46 -16.729 2.100 -0.292 347 HH22 ARG 46 1HH2 ARG 46 -16.167 0.946 0.870 348 H ALA 47 H ALA 47 -11.636 3.068 -5.895 349 HA ALA 47 HA ALA 47 -10.210 5.520 -6.224 350 HB1 ALA 47 1HB ALA 47 -10.292 4.883 -8.345 351 HB2 ALA 47 2HB ALA 47 -11.382 3.566 -7.913 352 HB3 ALA 47 3HB ALA 47 -12.036 5.141 -8.362 353 H ASP 48 H ASP 48 -13.130 4.864 -4.810 354 HA ASP 48 HA ASP 48 -14.159 7.556 -5.433 355 HB2 ASP 48 1HB ASP 48 -15.511 5.436 -6.147 356 HB3 ASP 48 2HB ASP 48 -15.935 5.351 -4.440 357 H GLU 49 H GLU 49 -12.385 6.252 -3.237 358 HA GLU 49 HA GLU 49 -13.921 6.766 -0.841 359 HB2 GLU 49 1HB GLU 49 -11.225 5.688 -1.468 360 HB3 GLU 49 2HB GLU 49 -11.429 6.459 0.099 361 HG2 GLU 49 1HG GLU 49 -13.314 4.336 -0.854 362 HG3 GLU 49 2HG GLU 49 -11.789 3.935 -0.064 363 H ALA 50 H ALA 50 -12.910 8.181 0.882 364 HA ALA 50 HA ALA 50 -11.979 10.689 -0.356 365 HB1 ALA 50 1HB ALA 50 -13.273 10.690 2.322 366 HB2 ALA 50 2HB ALA 50 -13.298 11.914 1.052 367 HB3 ALA 50 3HB ALA 50 -14.288 10.463 0.897 368 H ARG 51 H ARG 51 -11.266 8.219 1.905 369 HA ARG 51 HA ARG 51 -8.795 9.598 2.631 370 HB2 ARG 51 1HB ARG 51 -9.029 9.207 4.972 371 HB3 ARG 51 2HB ARG 51 -10.503 10.001 4.434 372 HG2 ARG 51 1HG ARG 51 -11.386 7.550 4.205 373 HG3 ARG 51 2HG ARG 51 -10.083 7.198 5.343 374 HD2 ARG 51 1HD ARG 51 -10.987 8.680 6.965 375 HD3 ARG 51 2HD ARG 51 -12.132 9.353 5.805 376 HE ARG 51 HE ARG 51 -12.688 6.651 5.975 377 HH11 ARG 51 2HH1 ARG 51 -12.664 9.400 8.110 378 HH12 ARG 51 1HH1 ARG 51 -13.922 8.784 9.130 379 HH21 ARG 51 2HH2 ARG 51 -14.345 5.829 7.309 380 HH22 ARG 51 1HH2 ARG 51 -14.876 6.752 8.674 381 HA PRO 52 HA PRO 52 -7.229 5.574 1.651 382 HB2 PRO 52 1HB PRO 52 -4.673 6.005 2.456 383 HB3 PRO 52 2HB PRO 52 -5.330 6.663 0.953 384 HG2 PRO 52 1HG PRO 52 -4.964 8.000 3.606 385 HG3 PRO 52 2HG PRO 52 -4.627 8.626 1.982 386 HD2 PRO 52 1HD PRO 52 -6.864 9.281 3.360 387 HD3 PRO 52 2HD PRO 52 -6.836 9.154 1.590 388 H ASN 53 H ASN 53 -6.529 3.687 2.701 389 HA ASN 53 HA ASN 53 -7.126 3.623 5.541 390 HB2 ASN 53 1HB ASN 53 -6.601 1.466 3.494 391 HB3 ASN 53 2HB ASN 53 -6.820 1.121 5.207 392 HD21 ASN 53 1HD2 ASN 53 -8.341 1.455 2.272 393 HD22 ASN 53 2HD2 ASN 53 -9.972 1.594 2.827 394 H THR 54 H THR 54 -5.431 4.454 6.667 395 HA THR 54 HA THR 54 -2.704 3.930 6.051 396 HB THR 54 HB THR 54 -3.776 4.848 8.720 397 HG1 THR 54 1HG THR 54 -3.581 6.163 6.256 398 HG21 THR 54 1HG2 THR 54 -1.159 4.404 7.684 399 HG22 THR 54 2HG2 THR 54 -1.625 5.025 9.268 400 HG23 THR 54 3HG2 THR 54 -1.377 6.137 7.922 401 H ILE 55 H ILE 55 -1.359 2.367 6.741 402 HA ILE 55 HA ILE 55 -2.192 0.616 8.932 403 HB ILE 55 HB ILE 55 -1.367 -0.403 6.210 404 HG12 ILE 55 1HG1 ILE 55 -3.930 -1.021 7.657 405 HG13 ILE 55 2HG1 ILE 55 -3.784 0.422 6.659 406 HG21 ILE 55 1HG2 ILE 55 -1.801 -2.647 7.241 407 HG22 ILE 55 2HG2 ILE 55 -0.375 -1.810 7.853 408 HG23 ILE 55 3HG2 ILE 55 -1.856 -1.842 8.809 409 HD11 ILE 55 1HD1 ILE 55 -4.798 -1.351 5.394 410 HD12 ILE 55 2HD1 ILE 55 -3.195 -1.007 4.742 411 HD13 ILE 55 3HD1 ILE 55 -3.449 -2.427 5.756 412 H ASP 56 H ASP 56 -0.527 -0.235 10.112 413 HA ASP 56 HA ASP 56 2.131 0.827 9.503 414 HB2 ASP 56 1HB ASP 56 1.435 1.355 11.714 415 HB3 ASP 56 2HB ASP 56 0.893 -0.295 12.014 416 H PHE 57 H PHE 57 3.879 -0.426 9.098 417 HA PHE 57 HA PHE 57 3.619 -3.333 9.353 418 HB2 PHE 57 1HB PHE 57 4.197 -1.799 6.837 419 HB3 PHE 57 2HB PHE 57 4.839 -3.424 7.054 420 HD1 PHE 57 1HD PHE 57 3.117 -5.253 7.702 421 HD2 PHE 57 2HD PHE 57 2.089 -1.514 5.948 422 HE1 PHE 57 1HE PHE 57 0.978 -6.202 6.940 423 HE2 PHE 57 2HE PHE 57 -0.052 -2.457 5.184 424 HZ PHE 57 HZ PHE 57 -0.610 -4.803 5.681 425 H GLY 58 H GLY 58 5.487 -4.391 9.871 426 HA2 GLY 58 1HA GLY 58 7.717 -2.702 10.678 427 HA3 GLY 58 2HA GLY 58 7.497 -4.399 11.074 428 H LYS 59 H LYS 59 9.894 -3.100 10.116 429 HA LYS 59 HA LYS 59 10.525 -3.283 7.486 430 HB2 LYS 59 1HB LYS 59 12.811 -3.862 8.153 431 HB3 LYS 59 2HB LYS 59 12.135 -2.623 9.202 432 HG2 LYS 59 1HG LYS 59 11.769 -4.208 10.952 433 HG3 LYS 59 2HG LYS 59 12.207 -5.551 9.894 434 HD2 LYS 59 1HD LYS 59 14.468 -4.967 9.893 435 HD3 LYS 59 2HD LYS 59 14.139 -3.324 10.447 436 HE2 LYS 59 1HE LYS 59 13.375 -4.283 12.616 437 HE3 LYS 59 2HE LYS 59 13.896 -5.868 12.047 438 HZ1 LYS 59 1HZ LYS 59 15.748 -3.565 12.135 439 HZ2 LYS 59 2HZ LYS 59 16.121 -5.212 12.048 440 HZ3 LYS 59 3HZ LYS 59 15.506 -4.560 13.482 441 H ASP 60 H ASP 60 9.666 -5.891 9.576 442 HA ASP 60 HA ASP 60 10.750 -7.977 7.924 443 HB2 ASP 60 1HB ASP 60 8.779 -8.021 10.215 444 HB3 ASP 60 2HB ASP 60 9.360 -9.469 9.398 445 H ASP 61 H ASP 61 7.576 -6.502 8.406 446 HA ASP 61 HA ASP 61 6.159 -8.273 6.705 447 HB2 ASP 61 1HB ASP 61 5.605 -5.619 7.954 448 HB3 ASP 61 2HB ASP 61 4.567 -6.152 6.634 449 H GLN 62 H GLN 62 7.040 -8.517 4.704 450 HA GLN 62 HA GLN 62 7.521 -6.109 3.099 451 HB2 GLN 62 1HB GLN 62 8.432 -8.966 2.817 452 HB3 GLN 62 2HB GLN 62 8.591 -7.804 1.507 453 HG2 GLN 62 1HG GLN 62 9.941 -6.367 2.983 454 HG3 GLN 62 2HG GLN 62 9.829 -7.595 4.242 455 HE21 GLN 62 1HE2 GLN 62 11.139 -6.813 1.106 456 HE22 GLN 62 2HE2 GLN 62 12.347 -8.048 1.084 457 H HIS 63 H HIS 63 5.025 -8.054 3.733 458 HA HIS 63 HA HIS 63 3.696 -7.414 1.259 459 HB2 HIS 63 1HB HIS 63 2.957 -9.911 1.060 460 HB3 HIS 63 2HB HIS 63 4.500 -9.407 0.379 461 HD1 HIS 63 1HD HIS 63 6.397 -10.864 0.983 462 HD2 HIS 63 2HD HIS 63 3.371 -11.019 3.825 463 HE1 HIS 63 1HE HIS 63 7.148 -12.569 2.672 464 HE2 HIS 63 2HE HIS 63 5.263 -12.708 4.336 465 H PHE 64 H PHE 64 1.375 -8.217 1.316 466 HA PHE 64 HA PHE 64 0.339 -8.697 3.993 467 HB2 PHE 64 1HB PHE 64 0.521 -6.197 3.681 468 HB3 PHE 64 2HB PHE 64 -0.657 -6.344 2.381 469 HD1 PHE 64 2HD PHE 64 -0.310 -7.587 5.887 470 HD2 PHE 64 1HD PHE 64 -2.787 -5.751 2.953 471 HE1 PHE 64 2HE PHE 64 -2.135 -7.432 7.530 472 HE2 PHE 64 1HE PHE 64 -4.616 -5.592 4.591 473 HZ PHE 64 HZ PHE 64 -4.291 -6.434 6.883 474 H THR 65 H THR 65 -1.912 -9.312 4.006 475 HA THR 65 HA THR 65 -2.813 -10.332 1.391 476 HB THR 65 HB THR 65 -3.330 -11.525 4.122 477 HG1 THR 65 1HG THR 65 -1.697 -12.418 1.959 478 HG21 THR 65 1HG2 THR 65 -3.893 -13.374 2.096 479 HG22 THR 65 2HG2 THR 65 -4.646 -11.865 1.579 480 HG23 THR 65 3HG2 THR 65 -5.050 -12.560 3.149 481 H VAL 66 H VAL 66 -4.460 -9.164 0.655 482 HA VAL 66 HA VAL 66 -6.430 -8.124 2.582 483 HB VAL 66 HB VAL 66 -5.901 -7.155 -0.230 484 HG11 VAL 66 1HG1 VAL 66 -7.287 -5.227 0.475 485 HG12 VAL 66 2HG1 VAL 66 -8.181 -6.748 0.443 486 HG13 VAL 66 3HG1 VAL 66 -7.643 -6.072 1.981 487 HG21 VAL 66 1HG2 VAL 66 -5.175 -5.093 1.314 488 HG22 VAL 66 2HG2 VAL 66 -4.740 -6.420 2.390 489 HG23 VAL 66 3HG2 VAL 66 -4.042 -6.331 0.773 490 H THR 67 H THR 67 -8.407 -8.959 2.564 491 HA THR 67 HA THR 67 -9.364 -10.293 0.120 492 HB THR 67 HB THR 67 -10.343 -12.086 1.383 493 HG1 THR 67 1HG THR 67 -9.223 -10.982 3.752 494 HG21 THR 67 1HG2 THR 67 -7.568 -11.647 1.214 495 HG22 THR 67 2HG2 THR 67 -8.408 -13.191 1.362 496 HG23 THR 67 3HG2 THR 67 -7.864 -12.340 2.808 497 H GLY 68 H GLY 68 -11.655 -10.341 -0.152 498 HA2 GLY 68 1HA GLY 68 -13.868 -9.723 0.401 499 HA3 GLY 68 2HA GLY 68 -13.236 -8.692 1.676 500 H LEU 69 H LEU 69 -11.345 -8.083 -0.919 501 HA LEU 69 HA LEU 69 -12.169 -5.484 -1.321 502 HB2 LEU 69 1HB LEU 69 -10.702 -7.386 -3.127 503 HB3 LEU 69 2HB LEU 69 -10.978 -5.699 -3.559 504 HG LEU 69 HG LEU 69 -9.568 -6.456 -1.018 505 HD11 LEU 69 1HD1 LEU 69 -8.535 -7.455 -3.162 506 HD12 LEU 69 2HD1 LEU 69 -7.502 -6.540 -2.064 507 HD13 LEU 69 3HD1 LEU 69 -8.105 -5.787 -3.541 508 HD21 LEU 69 1HD2 LEU 69 -10.111 -4.001 -2.558 509 HD22 LEU 69 2HD2 LEU 69 -8.489 -4.147 -1.881 510 HD23 LEU 69 3HD2 LEU 69 -9.898 -4.232 -0.822 511 H HIS 70 H HIS 70 -13.311 -4.429 -3.001 512 HA HIS 70 HA HIS 70 -15.670 -5.843 -3.838 513 HB2 HIS 70 1HB HIS 70 -14.703 -3.014 -4.049 514 HB3 HIS 70 2HB HIS 70 -16.068 -3.544 -5.029 515 HD1 HIS 70 1HD HIS 70 -17.793 -2.132 -3.793 516 HD2 HIS 70 2HD HIS 70 -15.702 -4.728 -1.314 517 HE1 HIS 70 1HE HIS 70 -19.018 -2.097 -1.597 518 HE2 HIS 70 2HE HIS 70 -17.685 -3.610 -0.087 519 H LYS 71 H LYS 71 -15.822 -7.015 -5.621 520 HA LYS 71 HA LYS 71 -13.806 -7.126 -7.594 521 HB2 LYS 71 1HB LYS 71 -16.499 -8.320 -7.217 522 HB3 LYS 71 2HB LYS 71 -15.864 -8.299 -8.857 523 HG2 LYS 71 1HG LYS 71 -13.724 -9.277 -7.632 524 HG3 LYS 71 2HG LYS 71 -14.950 -9.815 -6.483 525 HD2 LYS 71 1HD LYS 71 -16.171 -10.911 -8.299 526 HD3 LYS 71 2HD LYS 71 -14.951 -10.365 -9.452 527 HE2 LYS 71 1HE LYS 71 -14.407 -12.152 -7.084 528 HE3 LYS 71 2HE LYS 71 -14.652 -12.720 -8.735 529 HZ1 LYS 71 1HZ LYS 71 -12.321 -11.559 -7.530 530 HZ2 LYS 71 2HZ LYS 71 -12.728 -10.828 -9.000 531 HZ3 LYS 71 3HZ LYS 71 -12.458 -12.497 -8.932 532 H GLY 72 H GLY 72 -13.870 -6.510 -9.799 533 HA2 GLY 72 1HA GLY 72 -14.228 -5.027 -11.513 534 HA3 GLY 72 2HA GLY 72 -15.919 -5.072 -11.039 535 H THR 73 H THR 73 -13.333 -3.972 -8.943 536 HA THR 73 HA THR 73 -14.267 -1.202 -9.291 537 HB THR 73 HB THR 73 -13.857 -2.695 -6.707 538 HG1 THR 73 1HG THR 73 -15.971 -1.463 -8.057 539 HG21 THR 73 1HG2 THR 73 -14.420 -0.230 -5.835 540 HG22 THR 73 2HG2 THR 73 -13.506 0.192 -7.283 541 HG23 THR 73 3HG2 THR 73 -12.768 -0.813 -6.035 542 H THR 74 H THR 74 -12.718 0.361 -9.264 543 HA THR 74 HA THR 74 -9.971 -0.527 -9.479 544 HB THR 74 HB THR 74 -11.166 2.236 -9.776 545 HG1 THR 74 1HG THR 74 -11.637 1.541 -11.710 546 HG21 THR 74 1HG2 THR 74 -9.088 3.036 -9.812 547 HG22 THR 74 2HG2 THR 74 -8.685 1.938 -11.131 548 HG23 THR 74 3HG2 THR 74 -8.458 1.428 -9.459 549 H TYR 75 H TYR 75 -8.323 -0.086 -8.092 550 HA TYR 75 HA TYR 75 -8.986 1.407 -5.641 551 HB2 TYR 75 1HB TYR 75 -7.743 -1.291 -5.962 552 HB3 TYR 75 2HB TYR 75 -7.222 -0.278 -4.620 553 HD1 TYR 75 1HD TYR 75 -8.827 0.373 -2.862 554 HD2 TYR 75 2HD TYR 75 -9.908 -2.318 -5.975 555 HE1 TYR 75 1HE TYR 75 -10.782 -0.345 -1.554 556 HE2 TYR 75 2HE TYR 75 -11.867 -3.043 -4.675 557 HH TYR 75 HH TYR 75 -12.382 -3.023 -1.959 558 H ILE 76 H ILE 76 -6.992 2.108 -4.437 559 HA ILE 76 HA ILE 76 -4.741 2.663 -6.243 560 HB ILE 76 HB ILE 76 -5.862 4.755 -4.387 561 HG12 ILE 76 1HG1 ILE 76 -6.206 4.921 -7.350 562 HG13 ILE 76 2HG1 ILE 76 -7.327 3.924 -6.429 563 HG21 ILE 76 1HG2 ILE 76 -4.341 5.591 -6.722 564 HG22 ILE 76 2HG2 ILE 76 -4.151 6.037 -5.027 565 HG23 ILE 76 3HG2 ILE 76 -3.421 4.551 -5.636 566 HD11 ILE 76 1HD1 ILE 76 -8.067 6.275 -6.871 567 HD12 ILE 76 2HD1 ILE 76 -8.081 5.784 -5.176 568 HD13 ILE 76 3HD1 ILE 76 -6.780 6.806 -5.788 569 H PHE 77 H PHE 77 -3.206 1.457 -5.279 570 HA PHE 77 HA PHE 77 -2.942 1.472 -2.379 571 HB2 PHE 77 1HB PHE 77 -1.630 -0.114 -4.579 572 HB3 PHE 77 2HB PHE 77 -1.036 -0.163 -2.922 573 HD1 PHE 77 1HD PHE 77 -3.823 -1.026 -5.144 574 HD2 PHE 77 2HD PHE 77 -2.242 -1.310 -1.203 575 HE1 PHE 77 1HE PHE 77 -5.488 -2.755 -4.605 576 HE2 PHE 77 2HE PHE 77 -3.904 -3.040 -0.657 577 HZ PHE 77 HZ PHE 77 -5.529 -3.765 -2.359 578 H ARG 78 H ARG 78 -1.182 2.260 -1.264 579 HA ARG 78 HA ARG 78 0.967 3.560 -2.744 580 HB2 ARG 78 1HB ARG 78 -0.979 4.990 -0.949 581 HB3 ARG 78 2HB ARG 78 0.648 5.604 -1.207 582 HG2 ARG 78 1HG ARG 78 0.013 5.362 -3.734 583 HG3 ARG 78 2HG ARG 78 -1.635 5.426 -3.106 584 HD2 ARG 78 1HD ARG 78 -0.638 7.493 -1.775 585 HD3 ARG 78 2HD ARG 78 0.478 7.514 -3.140 586 HE ARG 78 HE ARG 78 -1.199 8.406 -4.390 587 HH11 ARG 78 2HH1 ARG 78 -2.624 6.651 -1.742 588 HH12 ARG 78 1HH1 ARG 78 -4.248 7.097 -2.150 589 HH21 ARG 78 2HH2 ARG 78 -3.333 8.999 -4.937 590 HH22 ARG 78 1HH2 ARG 78 -4.650 8.432 -3.968 591 H LEU 79 H LEU 79 2.822 2.994 -1.835 592 HA LEU 79 HA LEU 79 2.851 2.398 1.051 593 HB2 LEU 79 1HB LEU 79 3.189 0.446 -0.467 594 HB3 LEU 79 2HB LEU 79 4.652 1.228 -1.063 595 HG LEU 79 HG LEU 79 5.575 1.117 1.248 596 HD11 LEU 79 1HD1 LEU 79 3.821 -0.981 2.163 597 HD12 LEU 79 2HD1 LEU 79 2.944 0.532 1.937 598 HD13 LEU 79 3HD1 LEU 79 4.357 0.481 2.991 599 HD21 LEU 79 1HD2 LEU 79 5.785 -1.449 1.205 600 HD22 LEU 79 2HD2 LEU 79 6.389 -0.533 -0.176 601 HD23 LEU 79 3HD2 LEU 79 4.830 -1.354 -0.275 602 H ALA 80 H ALA 80 4.874 2.821 2.167 603 HA ALA 80 HA ALA 80 6.728 4.651 0.863 604 HB1 ALA 80 1HB ALA 80 5.026 6.149 1.715 605 HB2 ALA 80 2HB ALA 80 5.163 5.430 3.320 606 HB3 ALA 80 3HB ALA 80 6.515 6.336 2.641 607 H ALA 81 H ALA 81 8.747 4.765 1.850 608 HA ALA 81 HA ALA 81 9.299 2.588 3.709 609 HB1 ALA 81 1HB ALA 81 11.638 2.949 3.153 610 HB2 ALA 81 2HB ALA 81 10.670 2.793 1.687 611 HB3 ALA 81 3HB ALA 81 11.211 4.384 2.221 612 H LYS 82 H LYS 82 10.512 2.874 5.630 613 HA LYS 82 HA LYS 82 10.551 5.625 6.678 614 HB2 LYS 82 1HB LYS 82 8.662 4.069 7.532 615 HB3 LYS 82 2HB LYS 82 9.940 3.262 8.431 616 HG2 LYS 82 1HG LYS 82 10.466 5.741 9.192 617 HG3 LYS 82 2HG LYS 82 8.756 5.953 8.810 618 HD2 LYS 82 1HD LYS 82 9.575 3.614 10.464 619 HD3 LYS 82 2HD LYS 82 9.536 5.211 11.215 620 HE2 LYS 82 1HE LYS 82 7.405 4.353 11.616 621 HE3 LYS 82 2HE LYS 82 7.179 5.400 10.216 622 HZ1 LYS 82 1HZ LYS 82 6.046 3.412 9.746 623 HZ2 LYS 82 2HZ LYS 82 7.331 2.443 10.268 624 HZ3 LYS 82 3HZ LYS 82 7.471 3.334 8.837 625 H ASN 83 H ASN 83 12.517 6.227 7.282 626 HA ASN 83 HA ASN 83 14.438 4.141 8.087 627 HB2 ASN 83 1HB ASN 83 16.217 5.628 7.244 628 HB3 ASN 83 2HB ASN 83 15.078 5.188 5.975 629 HD21 ASN 83 1HD2 ASN 83 16.216 7.137 5.059 630 HD22 ASN 83 2HD2 ASN 83 15.484 8.673 5.358 631 H ARG 84 H ARG 84 16.375 5.353 9.302 632 HA ARG 84 HA ARG 84 15.526 5.953 11.840 633 HB2 ARG 84 1HB ARG 84 18.031 6.544 10.327 634 HB3 ARG 84 2HB ARG 84 17.809 7.287 11.905 635 HG2 ARG 84 1HG ARG 84 17.231 4.810 12.604 636 HG3 ARG 84 2HG ARG 84 18.214 4.437 11.186 637 HD2 ARG 84 1HD ARG 84 19.071 6.179 13.495 638 HD3 ARG 84 2HD ARG 84 19.532 4.492 13.267 639 HE ARG 84 HE ARG 84 20.299 5.724 10.958 640 HH11 ARG 84 2HH1 ARG 84 20.935 6.232 14.343 641 HH12 ARG 84 1HH1 ARG 84 22.516 6.890 14.081 642 HH21 ARG 84 2HH2 ARG 84 22.380 6.588 10.600 643 HH22 ARG 84 1HH2 ARG 84 23.337 7.092 11.952 644 H ALA 85 H ALA 85 15.786 8.083 9.087 645 HA ALA 85 HA ALA 85 15.414 10.490 10.634 646 HB1 ALA 85 1HB ALA 85 16.728 10.497 8.558 647 HB2 ALA 85 2HB ALA 85 15.272 10.091 7.648 648 HB3 ALA 85 3HB ALA 85 15.380 11.633 8.496 649 H GLY 86 H GLY 86 13.413 8.151 9.055 650 HA2 GLY 86 1HA GLY 86 11.070 8.235 9.990 651 HA3 GLY 86 2HA GLY 86 11.067 9.905 9.441 652 H LEU 87 H LEU 87 9.079 9.009 8.349 653 HA LEU 87 HA LEU 87 9.350 7.219 6.166 654 HB2 LEU 87 1HB LEU 87 7.220 9.310 6.570 655 HB3 LEU 87 2HB LEU 87 7.110 7.860 5.573 656 HG LEU 87 HG LEU 87 7.556 7.598 8.517 657 HD11 LEU 87 1HD1 LEU 87 5.442 9.075 7.559 658 HD12 LEU 87 2HD1 LEU 87 5.507 8.242 9.112 659 HD13 LEU 87 3HD1 LEU 87 4.764 7.455 7.719 660 HD21 LEU 87 1HD2 LEU 87 6.847 5.452 8.224 661 HD22 LEU 87 2HD2 LEU 87 7.523 5.751 6.623 662 HD23 LEU 87 3HD2 LEU 87 5.781 5.867 6.882 663 H GLY 88 H GLY 88 9.323 7.648 3.928 664 HA2 GLY 88 1HA GLY 88 10.219 10.373 3.214 665 HA3 GLY 88 2HA GLY 88 10.909 8.925 2.497 666 H GLU 89 H GLU 89 10.383 9.377 0.391 667 HA GLU 89 HA GLU 89 7.994 10.396 -0.573 668 HB2 GLU 89 1HB GLU 89 10.076 8.602 -1.782 669 HB3 GLU 89 2HB GLU 89 8.629 9.024 -2.687 670 HG2 GLU 89 1HG GLU 89 10.724 10.899 -1.624 671 HG3 GLU 89 2HG GLU 89 10.380 10.517 -3.311 672 H GLU 90 H GLU 90 6.540 9.033 -2.131 673 HA GLU 90 HA GLU 90 5.840 6.461 -0.915 674 HB2 GLU 90 1HB GLU 90 3.396 7.173 -1.093 675 HB3 GLU 90 2HB GLU 90 4.333 7.870 0.221 676 HG2 GLU 90 1HG GLU 90 4.418 9.960 -0.774 677 HG3 GLU 90 2HG GLU 90 4.051 9.322 -2.375 678 H PHE 91 H PHE 91 4.881 4.991 -2.297 679 HA PHE 91 HA PHE 91 5.123 5.643 -5.133 680 HB2 PHE 91 1HB PHE 91 6.218 3.596 -4.190 681 HB3 PHE 91 2HB PHE 91 4.615 2.950 -3.856 682 HD1 PHE 91 2HD PHE 91 3.020 2.690 -5.845 683 HD2 PHE 91 1HD PHE 91 7.219 3.251 -6.252 684 HE1 PHE 91 2HE PHE 91 2.919 1.764 -8.121 685 HE2 PHE 91 1HE PHE 91 7.125 2.326 -8.530 686 HZ PHE 91 HZ PHE 91 4.973 1.580 -9.467 687 H GLU 92 H GLU 92 3.471 5.002 -6.650 688 HA GLU 92 HA GLU 92 0.780 4.782 -5.487 689 HB2 GLU 92 1HB GLU 92 1.217 7.129 -6.156 690 HB3 GLU 92 2HB GLU 92 1.534 6.582 -7.796 691 HG2 GLU 92 1HG GLU 92 -0.811 5.627 -7.782 692 HG3 GLU 92 2HG GLU 92 -1.065 6.543 -6.297 693 H LYS 93 H LYS 93 -0.503 3.309 -6.426 694 HA LYS 93 HA LYS 93 0.113 2.357 -9.119 695 HB2 LYS 93 1HB LYS 93 1.175 0.950 -7.145 696 HB3 LYS 93 2HB LYS 93 -0.453 0.292 -7.036 697 HG2 LYS 93 1HG LYS 93 1.113 0.343 -9.600 698 HG3 LYS 93 2HG LYS 93 1.183 -0.998 -8.453 699 HD2 LYS 93 1HD LYS 93 -1.284 -1.221 -8.649 700 HD3 LYS 93 2HD LYS 93 -1.261 0.027 -9.897 701 HE2 LYS 93 1HE LYS 93 0.178 -2.622 -10.014 702 HE3 LYS 93 2HE LYS 93 -1.311 -2.219 -10.867 703 HZ1 LYS 93 1HZ LYS 93 1.316 -0.890 -11.257 704 HZ2 LYS 93 2HZ LYS 93 -0.113 -0.505 -12.076 705 HZ3 LYS 93 3HZ LYS 93 0.614 -2.015 -12.308 706 H GLU 94 H GLU 94 -1.677 2.116 -10.293 707 HA GLU 94 HA GLU 94 -4.255 2.041 -8.875 708 HB2 GLU 94 1HB GLU 94 -3.746 3.994 -10.402 709 HB3 GLU 94 2HB GLU 94 -3.791 2.857 -11.743 710 HG2 GLU 94 1HG GLU 94 -6.137 2.253 -10.792 711 HG3 GLU 94 2HG GLU 94 -6.012 3.828 -10.010 712 H ILE 95 H ILE 95 -5.382 0.222 -8.950 713 HA ILE 95 HA ILE 95 -5.019 -1.578 -11.251 714 HB ILE 95 HB ILE 95 -4.992 -3.511 -9.885 715 HG12 ILE 95 1HG1 ILE 95 -6.666 -2.848 -8.240 716 HG13 ILE 95 2HG1 ILE 95 -5.214 -3.416 -7.424 717 HG21 ILE 95 1HG2 ILE 95 -3.193 -2.331 -8.047 718 HG22 ILE 95 2HG2 ILE 95 -2.825 -3.204 -9.534 719 HG23 ILE 95 3HG2 ILE 95 -3.052 -1.455 -9.571 720 HD11 ILE 95 1HD1 ILE 95 -5.647 -1.559 -6.197 721 HD12 ILE 95 2HD1 ILE 95 -4.632 -0.842 -7.448 722 HD13 ILE 95 3HD1 ILE 95 -6.387 -0.700 -7.548 723 H ARG 96 H ARG 96 -6.815 -3.460 -10.875 724 HA ARG 96 HA ARG 96 -9.333 -2.459 -9.912 725 HB2 ARG 96 1HB ARG 96 -9.083 -1.345 -12.140 726 HB3 ARG 96 2HB ARG 96 -9.039 -2.939 -12.880 727 HG2 ARG 96 1HG ARG 96 -11.280 -3.393 -12.233 728 HG3 ARG 96 2HG ARG 96 -11.335 -1.957 -11.208 729 HD2 ARG 96 1HD ARG 96 -12.447 -1.221 -13.085 730 HD3 ARG 96 2HD ARG 96 -10.798 -0.699 -13.429 731 HE ARG 96 HE ARG 96 -12.306 -2.739 -14.808 732 HH11 ARG 96 2HH1 ARG 96 -9.155 -1.424 -14.130 733 HH12 ARG 96 1HH1 ARG 96 -8.424 -2.099 -15.548 734 HH21 ARG 96 2HH2 ARG 96 -11.355 -3.633 -16.679 735 HH22 ARG 96 1HH2 ARG 96 -9.677 -3.355 -16.998 736 H THR 97 H THR 97 -10.161 -4.184 -8.953 737 HA THR 97 HA THR 97 -9.351 -6.834 -9.469 738 HB THR 97 HB THR 97 -11.192 -7.512 -7.978 739 HG1 THR 97 1HG THR 97 -11.884 -4.793 -7.657 740 HG21 THR 97 1HG2 THR 97 -10.436 -6.355 -5.985 741 HG22 THR 97 2HG2 THR 97 -9.754 -5.056 -6.964 742 HG23 THR 97 3HG2 THR 97 -9.060 -6.676 -7.040 743 HA PRO 98 HA PRO 98 -11.879 -8.028 -12.866 744 HB2 PRO 98 1HB PRO 98 -12.027 -10.699 -12.404 745 HB3 PRO 98 2HB PRO 98 -10.563 -9.906 -12.999 746 HG2 PRO 98 1HG PRO 98 -11.261 -10.752 -10.213 747 HG3 PRO 98 2HG PRO 98 -9.724 -10.921 -11.082 748 HD2 PRO 98 1HD PRO 98 -10.162 -8.963 -9.264 749 HD3 PRO 98 2HD PRO 98 -9.110 -8.737 -10.676 750 H GLU 99 H GLU 99 -13.923 -9.161 -13.386 751 HA GLU 99 HA GLU 99 -15.783 -9.177 -11.100 752 HB2 GLU 99 1HB GLU 99 -17.531 -8.396 -12.739 753 HB3 GLU 99 2HB GLU 99 -16.289 -7.214 -12.347 754 HG2 GLU 99 1HG GLU 99 -16.264 -6.937 -14.577 755 HG3 GLU 99 2HG GLU 99 -15.167 -8.315 -14.510 756 H ASP 100 H ASP 100 -16.957 -10.968 -10.845 757 HA ASP 100 HA ASP 100 -16.501 -13.247 -12.469 758 HB2 ASP 100 1HB ASP 100 -16.976 -13.580 -10.145 759 HB3 ASP 100 2HB ASP 100 -18.494 -12.696 -10.268 760 H LEU 101 H LEU 101 -19.514 -11.431 -11.865 761 HA LEU 101 HA LEU 101 -21.453 -11.295 -13.065 762 HB2 LEU 101 1HB LEU 101 -19.815 -9.888 -14.350 763 HB3 LEU 101 2HB LEU 101 -19.588 -11.263 -15.429 764 HG LEU 101 HG LEU 101 -22.158 -11.095 -15.769 765 HD11 LEU 101 1HD1 LEU 101 -22.406 -9.419 -13.921 766 HD12 LEU 101 2HD1 LEU 101 -23.126 -8.948 -15.460 767 HD13 LEU 101 3HD1 LEU 101 -21.584 -8.254 -14.959 768 HD21 LEU 101 1HD2 LEU 101 -21.711 -9.194 -17.462 769 HD22 LEU 101 2HD2 LEU 101 -20.830 -10.713 -17.633 770 HD23 LEU 101 3HD2 LEU 101 -20.040 -9.311 -16.909 771 H SER 102 H SER 102 -21.088 -13.858 -12.367 772 HA SER 102 HA SER 102 -21.497 -15.462 -14.791 773 HB2 SER 102 1HB SER 102 -19.805 -16.095 -12.930 774 HB3 SER 102 2HB SER 102 -21.228 -16.594 -12.016 775 HG SER 102 HG SER 102 -19.976 -17.839 -14.077 776 H GLY 103 H GLY 103 -23.580 -13.763 -14.114 777 HA2 GLY 103 1HA GLY 103 -25.893 -13.981 -14.138 778 HA3 GLY 103 2HA GLY 103 -25.707 -15.687 -13.757 779 HA PRO 104 HA PRO 104 -27.362 -13.472 -10.016 780 HB2 PRO 104 1HB PRO 104 -29.395 -15.217 -9.577 781 HB3 PRO 104 2HB PRO 104 -29.542 -13.821 -10.650 782 HG2 PRO 104 1HG PRO 104 -29.023 -16.689 -11.334 783 HG3 PRO 104 2HG PRO 104 -30.104 -15.527 -12.126 784 HD2 PRO 104 1HD PRO 104 -27.658 -16.145 -13.109 785 HD3 PRO 104 2HD PRO 104 -28.385 -14.537 -13.300 786 H SER 105 H SER 105 -25.747 -16.248 -10.754 787 HA SER 105 HA SER 105 -25.742 -17.164 -7.952 788 HB2 SER 105 1HB SER 105 -26.510 -18.718 -9.958 789 HB3 SER 105 2HB SER 105 -24.772 -18.937 -10.155 790 HG SER 105 HG SER 105 -26.331 -20.171 -8.459 791 H SER 106 H SER 106 -23.593 -18.420 -7.500 792 HA SER 106 HA SER 106 -21.257 -17.370 -8.818 793 HB2 SER 106 1HB SER 106 -20.343 -16.339 -6.710 794 HB3 SER 106 2HB SER 106 -21.695 -15.460 -7.424 795 HG SER 106 HG SER 106 -21.500 -16.658 -4.993 796 H GLY 107 H GLY 107 -19.359 -18.473 -8.269 797 HA2 GLY 107 1HA GLY 107 -19.706 -20.721 -6.386 798 HA3 GLY 107 2HA GLY 107 -19.007 -20.966 -7.980 Start of MODEL 8 1 H1 GLY 1 H GLY 1 6.450 18.634 11.175 2 HA2 GLY 1 1HA GLY 1 5.817 21.280 11.802 3 HA3 GLY 1 2HA GLY 1 7.035 20.751 12.952 4 H SER 2 H SER 2 7.997 22.703 11.684 5 HA SER 2 HA SER 2 8.877 22.741 9.141 6 HB2 SER 2 1HB SER 2 9.444 24.329 11.110 7 HB3 SER 2 2HB SER 2 10.856 23.298 11.338 8 HG SER 2 HG SER 2 10.221 24.415 8.823 9 H SER 3 H SER 3 9.719 21.221 7.892 10 HA SER 3 HA SER 3 11.973 19.645 8.893 11 HB2 SER 3 1HB SER 3 9.441 18.518 7.698 12 HB3 SER 3 2HB SER 3 10.954 17.614 7.729 13 HG SER 3 HG SER 3 10.077 18.764 10.115 14 H GLY 4 H GLY 4 13.568 19.392 7.435 15 HA2 GLY 4 1HA GLY 4 13.396 20.805 4.949 16 HA3 GLY 4 2HA GLY 4 14.777 19.889 5.534 17 H SER 5 H SER 5 14.170 19.800 2.888 18 HA SER 5 HA SER 5 12.460 17.606 2.228 19 HB2 SER 5 1HB SER 5 14.359 19.361 0.731 20 HB3 SER 5 2HB SER 5 13.862 17.839 -0.009 21 HG SER 5 HG SER 5 11.956 18.652 -0.365 22 H SER 6 H SER 6 13.231 15.909 3.552 23 HA SER 6 HA SER 6 15.468 14.470 2.364 24 HB2 SER 6 1HB SER 6 16.337 15.856 4.311 25 HB3 SER 6 2HB SER 6 15.346 14.843 5.359 26 HG SER 6 HG SER 6 16.549 13.065 4.127 27 H GLY 7 H GLY 7 15.401 12.225 2.695 28 HA2 GLY 7 1HA GLY 7 14.074 10.622 4.344 29 HA3 GLY 7 2HA GLY 7 12.743 11.240 3.378 30 HA PRO 8 HA PRO 8 14.902 7.512 1.373 31 HB2 PRO 8 1HB PRO 8 12.967 5.665 1.831 32 HB3 PRO 8 2HB PRO 8 14.308 5.947 2.947 33 HG2 PRO 8 1HG PRO 8 11.492 6.955 3.076 34 HG3 PRO 8 2HG PRO 8 12.509 6.307 4.376 35 HD2 PRO 8 1HD PRO 8 12.124 8.962 4.014 36 HD3 PRO 8 2HD PRO 8 13.640 8.296 4.654 37 H GLY 9 H GLY 9 14.071 6.308 -0.510 38 HA2 GLY 9 1HA GLY 9 12.256 7.983 -2.036 39 HA3 GLY 9 2HA GLY 9 13.206 6.640 -2.652 40 H ARG 10 H ARG 10 10.794 6.684 -3.630 41 HA ARG 10 HA ARG 10 8.813 5.401 -2.021 42 HB2 ARG 10 1HB ARG 10 7.545 5.204 -4.110 43 HB3 ARG 10 2HB ARG 10 8.186 6.828 -3.903 44 HG2 ARG 10 1HG ARG 10 10.130 6.024 -5.380 45 HG3 ARG 10 2HG ARG 10 9.053 4.693 -5.811 46 HD2 ARG 10 1HD ARG 10 8.013 7.480 -5.951 47 HD3 ARG 10 2HD ARG 10 9.111 6.924 -7.214 48 HE ARG 10 HE ARG 10 7.021 5.053 -6.783 49 HH11 ARG 10 2HH1 ARG 10 7.720 8.131 -8.253 50 HH12 ARG 10 1HH1 ARG 10 6.473 7.991 -9.447 51 HH21 ARG 10 2HH2 ARG 10 5.376 4.857 -8.351 52 HH22 ARG 10 1HH2 ARG 10 5.139 6.129 -9.501 53 HA PRO 11 HA PRO 11 10.433 1.285 -2.395 54 HB2 PRO 11 1HB PRO 11 8.325 0.021 -1.243 55 HB3 PRO 11 2HB PRO 11 9.534 0.916 -0.314 56 HG2 PRO 11 1HG PRO 11 6.805 1.774 -1.196 57 HG3 PRO 11 2HG PRO 11 7.601 2.014 0.370 58 HD2 PRO 11 1HD PRO 11 7.460 3.962 -1.506 59 HD3 PRO 11 2HD PRO 11 8.831 3.810 -0.388 60 H THR 12 H THR 12 10.005 -0.629 -3.562 61 HA THR 12 HA THR 12 8.271 -0.233 -5.851 62 HB THR 12 HB THR 12 10.180 -2.481 -5.184 63 HG1 THR 12 1HG THR 12 10.441 -0.516 -7.215 64 HG21 THR 12 1HG2 THR 12 8.279 -2.059 -7.435 65 HG22 THR 12 2HG2 THR 12 8.788 -3.556 -6.653 66 HG23 THR 12 3HG2 THR 12 9.859 -2.751 -7.800 67 H MET 13 H MET 13 6.166 -0.563 -5.352 68 HA MET 13 HA MET 13 5.414 -2.921 -3.800 69 HB2 MET 13 1HB MET 13 4.428 -0.658 -3.314 70 HB3 MET 13 2HB MET 13 3.618 -0.743 -4.873 71 HG2 MET 13 1HG MET 13 2.230 -2.484 -4.195 72 HG3 MET 13 2HG MET 13 3.260 -2.894 -2.826 73 HE1 MET 13 1HE MET 13 0.793 -0.218 -4.312 74 HE2 MET 13 2HE MET 13 0.703 0.944 -2.989 75 HE3 MET 13 3HE MET 13 2.210 0.740 -3.883 76 H MET 14 H MET 14 4.396 -4.663 -4.633 77 HA MET 14 HA MET 14 3.570 -4.561 -7.454 78 HB2 MET 14 1HB MET 14 5.016 -6.882 -6.168 79 HB3 MET 14 2HB MET 14 4.521 -6.751 -7.850 80 HG2 MET 14 1HG MET 14 6.049 -4.790 -8.064 81 HG3 MET 14 2HG MET 14 6.632 -5.143 -6.439 82 HE1 MET 14 1HE MET 14 8.192 -6.352 -5.817 83 HE2 MET 14 2HE MET 14 8.211 -8.071 -6.210 84 HE3 MET 14 3HE MET 14 9.450 -7.002 -6.869 85 H ILE 15 H ILE 15 1.440 -4.843 -7.459 86 HA ILE 15 HA ILE 15 0.213 -6.596 -5.458 87 HB ILE 15 HB ILE 15 -1.115 -4.687 -7.385 88 HG12 ILE 15 1HG1 ILE 15 -1.022 -4.249 -4.434 89 HG13 ILE 15 2HG1 ILE 15 0.416 -3.870 -5.376 90 HG21 ILE 15 1HG2 ILE 15 -2.441 -6.681 -6.571 91 HG22 ILE 15 2HG2 ILE 15 -2.318 -5.986 -4.956 92 HG23 ILE 15 3HG2 ILE 15 -3.138 -5.096 -6.238 93 HD11 ILE 15 1HD1 ILE 15 -1.586 -2.674 -6.815 94 HD12 ILE 15 2HD1 ILE 15 -2.097 -2.436 -5.144 95 HD13 ILE 15 3HD1 ILE 15 -0.510 -1.874 -5.670 96 H SER 16 H SER 16 -0.777 -8.468 -5.962 97 HA SER 16 HA SER 16 -1.266 -9.109 -8.778 98 HB2 SER 16 1HB SER 16 0.425 -10.716 -6.865 99 HB3 SER 16 2HB SER 16 -0.318 -11.437 -8.293 100 HG SER 16 HG SER 16 1.384 -10.718 -9.287 101 H THR 17 H THR 17 -3.048 -10.338 -9.136 102 HA THR 17 HA THR 17 -4.639 -11.045 -6.768 103 HB THR 17 HB THR 17 -6.605 -10.930 -8.158 104 HG1 THR 17 1HG THR 17 -6.398 -11.281 -10.226 105 HG21 THR 17 1HG2 THR 17 -6.322 -8.780 -7.466 106 HG22 THR 17 2HG2 THR 17 -6.109 -8.513 -9.196 107 HG23 THR 17 3HG2 THR 17 -4.700 -8.660 -8.146 108 H THR 18 H THR 18 -4.813 -13.117 -6.253 109 HA THR 18 HA THR 18 -4.456 -15.131 -8.377 110 HB THR 18 HB THR 18 -2.669 -15.699 -7.099 111 HG1 THR 18 1HG THR 18 -4.133 -17.453 -6.845 112 HG21 THR 18 1HG2 THR 18 -2.685 -15.358 -4.552 113 HG22 THR 18 2HG2 THR 18 -4.132 -14.387 -4.826 114 HG23 THR 18 3HG2 THR 18 -2.603 -13.922 -5.571 115 H ALA 19 H ALA 19 -5.972 -14.611 -5.194 116 HA ALA 19 HA ALA 19 -7.925 -16.694 -5.743 117 HB1 ALA 19 1HB ALA 19 -6.728 -15.817 -3.434 118 HB2 ALA 19 2HB ALA 19 -8.344 -15.117 -3.330 119 HB3 ALA 19 3HB ALA 19 -8.149 -16.858 -3.528 120 H MET 20 H MET 20 -10.237 -15.975 -4.779 121 HA MET 20 HA MET 20 -11.146 -13.921 -6.611 122 HB2 MET 20 1HB MET 20 -12.617 -15.819 -4.781 123 HB3 MET 20 2HB MET 20 -13.423 -14.628 -5.794 124 HG2 MET 20 1HG MET 20 -12.670 -15.685 -7.781 125 HG3 MET 20 2HG MET 20 -11.584 -16.740 -6.880 126 HE1 MET 20 1HE MET 20 -12.355 -18.011 -4.962 127 HE2 MET 20 2HE MET 20 -14.004 -18.528 -4.612 128 HE3 MET 20 3HE MET 20 -13.007 -19.458 -5.731 129 H ASN 21 H ASN 21 -11.378 -11.865 -6.054 130 HA ASN 21 HA ASN 21 -11.717 -9.972 -4.840 131 HB2 ASN 21 1HB ASN 21 -12.904 -11.643 -2.635 132 HB3 ASN 21 2HB ASN 21 -13.308 -9.994 -3.101 133 HD21 ASN 21 1HD2 ASN 21 -14.871 -9.653 -4.562 134 HD22 ASN 21 2HD2 ASN 21 -15.738 -10.903 -5.382 135 H THR 22 H THR 22 -9.215 -11.030 -4.687 136 HA THR 22 HA THR 22 -8.348 -10.069 -2.090 137 HB THR 22 HB THR 22 -7.169 -11.957 -1.381 138 HG1 THR 22 1HG THR 22 -6.679 -13.687 -2.726 139 HG21 THR 22 1HG2 THR 22 -9.612 -12.228 -1.130 140 HG22 THR 22 2HG2 THR 22 -8.780 -13.774 -1.302 141 HG23 THR 22 3HG2 THR 22 -9.656 -13.087 -2.670 142 H ALA 23 H ALA 23 -6.577 -8.860 -2.310 143 HA ALA 23 HA ALA 23 -4.981 -9.177 -4.768 144 HB1 ALA 23 1HB ALA 23 -4.383 -6.669 -3.971 145 HB2 ALA 23 2HB ALA 23 -5.682 -7.062 -5.097 146 HB3 ALA 23 3HB ALA 23 -6.043 -6.803 -3.391 147 H LEU 24 H LEU 24 -3.094 -10.118 -4.367 148 HA LEU 24 HA LEU 24 -1.912 -10.127 -1.752 149 HB2 LEU 24 1HB LEU 24 -1.657 -12.096 -3.037 150 HB3 LEU 24 2HB LEU 24 -1.052 -11.196 -4.426 151 HG LEU 24 HG LEU 24 1.027 -10.734 -3.228 152 HD11 LEU 24 1HD1 LEU 24 -0.421 -11.198 -0.954 153 HD12 LEU 24 2HD1 LEU 24 1.336 -11.073 -1.043 154 HD13 LEU 24 3HD1 LEU 24 0.562 -12.657 -1.084 155 HD21 LEU 24 1HD2 LEU 24 0.075 -13.368 -3.975 156 HD22 LEU 24 2HD2 LEU 24 1.367 -13.444 -2.776 157 HD23 LEU 24 3HD2 LEU 24 1.625 -12.592 -4.299 158 H LEU 25 H LEU 25 -0.659 -8.592 -0.945 159 HA LEU 25 HA LEU 25 0.583 -6.658 -2.754 160 HB2 LEU 25 1HB LEU 25 0.450 -6.530 0.248 161 HB3 LEU 25 2HB LEU 25 0.798 -5.217 -0.875 162 HG LEU 25 HG LEU 25 -1.872 -6.598 -0.809 163 HD11 LEU 25 1HD1 LEU 25 -2.146 -5.758 1.244 164 HD12 LEU 25 2HD1 LEU 25 -2.260 -4.197 0.433 165 HD13 LEU 25 3HD1 LEU 25 -0.722 -4.725 1.116 166 HD21 LEU 25 1HD2 LEU 25 -0.759 -4.088 -2.003 167 HD22 LEU 25 2HD2 LEU 25 -2.483 -4.234 -1.658 168 HD23 LEU 25 3HD2 LEU 25 -1.706 -5.365 -2.768 169 H GLN 26 H GLN 26 2.715 -6.565 -3.092 170 HA GLN 26 HA GLN 26 4.550 -7.792 -1.186 171 HB2 GLN 26 1HB GLN 26 4.426 -8.557 -4.108 172 HB3 GLN 26 2HB GLN 26 5.732 -8.998 -3.016 173 HG2 GLN 26 1HG GLN 26 3.915 -10.083 -1.580 174 HG3 GLN 26 2HG GLN 26 2.887 -9.928 -3.004 175 HE21 GLN 26 1HE2 GLN 26 5.953 -11.248 -1.869 176 HE22 GLN 26 2HE2 GLN 26 5.997 -12.576 -2.973 177 H TRP 27 H TRP 27 6.003 -6.283 -0.753 178 HA TRP 27 HA TRP 27 7.015 -4.628 -2.969 179 HB2 TRP 27 1HB TRP 27 7.224 -2.746 -1.349 180 HB3 TRP 27 2HB TRP 27 5.556 -3.227 -1.647 181 HD1 TRP 27 HD TRP 27 8.260 -3.340 1.073 182 HE1 TRP 27 1HE TRP 27 7.120 -3.786 3.338 183 HE3 TRP 27 3HE TRP 27 3.504 -4.240 -0.574 184 HZ2 TRP 27 2HZ TRP 27 4.546 -4.434 4.298 185 HZ3 TRP 27 3HZ TRP 27 1.762 -4.766 1.082 186 HH2 TRP 27 HH TRP 27 2.274 -4.861 3.467 187 H HIS 28 H HIS 28 9.125 -3.496 -2.271 188 HA HIS 28 HA HIS 28 10.739 -5.206 -0.523 189 HB2 HIS 28 1HB HIS 28 11.195 -4.680 -3.434 190 HB3 HIS 28 2HB HIS 28 12.583 -4.884 -2.370 191 HD1 HIS 28 1HD HIS 28 12.982 -7.238 -1.379 192 HD2 HIS 28 2HD HIS 28 9.717 -7.001 -3.937 193 HE1 HIS 28 1HE HIS 28 12.349 -9.619 -1.883 194 HE2 HIS 28 2HE HIS 28 10.425 -9.451 -3.500 195 HA PRO 29 HA PRO 29 12.542 -1.479 0.922 196 HB2 PRO 29 1HB PRO 29 15.111 -2.225 1.385 197 HB3 PRO 29 2HB PRO 29 13.760 -2.756 2.394 198 HG2 PRO 29 1HG PRO 29 15.157 -4.209 0.181 199 HG3 PRO 29 2HG PRO 29 14.627 -4.818 1.760 200 HD2 PRO 29 1HD PRO 29 13.226 -5.256 -0.515 201 HD3 PRO 29 2HD PRO 29 12.444 -5.076 1.069 202 HA PRO 30 HA PRO 30 14.261 0.477 -2.679 203 HB2 PRO 30 1HB PRO 30 14.644 2.923 -1.563 204 HB3 PRO 30 2HB PRO 30 13.052 2.328 -2.051 205 HG2 PRO 30 1HG PRO 30 14.301 2.384 0.669 206 HG3 PRO 30 2HG PRO 30 12.642 2.790 0.191 207 HD2 PRO 30 1HD PRO 30 13.296 0.410 1.304 208 HD3 PRO 30 2HD PRO 30 11.989 0.581 0.114 209 H LYS 31 H LYS 31 16.209 1.960 -3.112 210 HA LYS 31 HA LYS 31 18.495 0.974 -1.537 211 HB2 LYS 31 1HB LYS 31 18.162 1.543 -4.465 212 HB3 LYS 31 2HB LYS 31 19.759 1.593 -3.731 213 HG2 LYS 31 1HG LYS 31 18.076 -0.801 -3.237 214 HG3 LYS 31 2HG LYS 31 18.799 -0.600 -4.835 215 HD2 LYS 31 1HD LYS 31 20.433 -0.337 -2.331 216 HD3 LYS 31 2HD LYS 31 20.121 -1.911 -3.065 217 HE2 LYS 31 1HE LYS 31 21.119 0.281 -4.809 218 HE3 LYS 31 2HE LYS 31 22.255 -0.470 -3.690 219 HZ1 LYS 31 1HZ LYS 31 22.307 -2.345 -4.882 220 HZ2 LYS 31 2HZ LYS 31 21.685 -1.404 -6.142 221 HZ3 LYS 31 3HZ LYS 31 20.644 -2.338 -5.190 222 H GLU 32 H GLU 32 16.888 3.762 -2.834 223 HA GLU 32 HA GLU 32 19.081 5.552 -2.201 224 HB2 GLU 32 1HB GLU 32 16.273 6.167 -3.138 225 HB3 GLU 32 2HB GLU 32 17.593 7.322 -3.021 226 HG2 GLU 32 1HG GLU 32 18.787 5.587 -4.609 227 HG3 GLU 32 2HG GLU 32 17.121 5.172 -5.009 228 H LEU 33 H LEU 33 17.926 4.016 -0.036 229 HA LEU 33 HA LEU 33 16.517 6.045 1.537 230 HB2 LEU 33 1HB LEU 33 15.437 3.949 1.619 231 HB3 LEU 33 2HB LEU 33 16.954 3.094 1.893 232 HG LEU 33 HG LEU 33 15.968 5.029 3.944 233 HD11 LEU 33 1HD1 LEU 33 14.351 2.971 3.051 234 HD12 LEU 33 2HD1 LEU 33 14.240 3.795 4.606 235 HD13 LEU 33 3HD1 LEU 33 15.160 2.297 4.466 236 HD21 LEU 33 1HD2 LEU 33 17.882 2.788 3.746 237 HD22 LEU 33 2HD2 LEU 33 16.993 2.933 5.262 238 HD23 LEU 33 3HD2 LEU 33 17.971 4.281 4.681 239 HA PRO 34 HA PRO 34 20.498 6.989 3.360 240 HB2 PRO 34 1HB PRO 34 19.588 9.053 4.870 241 HB3 PRO 34 2HB PRO 34 19.918 9.202 3.140 242 HG2 PRO 34 1HG PRO 34 17.305 8.791 4.542 243 HG3 PRO 34 2HG PRO 34 17.691 9.868 3.187 244 HD2 PRO 34 1HD PRO 34 16.462 7.479 2.845 245 HD3 PRO 34 2HD PRO 34 17.564 8.168 1.635 246 H GLY 35 H GLY 35 20.927 5.281 4.715 247 HA2 GLY 35 1HA GLY 35 21.307 5.007 7.146 248 HA3 GLY 35 2HA GLY 35 19.600 5.366 7.355 249 H GLU 36 H GLU 36 18.351 3.664 7.702 250 HA GLU 36 HA GLU 36 18.818 1.186 6.256 251 HB2 GLU 36 1HB GLU 36 18.950 -0.211 8.194 252 HB3 GLU 36 2HB GLU 36 20.171 1.043 8.360 253 HG2 GLU 36 1HG GLU 36 19.043 2.108 10.061 254 HG3 GLU 36 2HG GLU 36 17.485 1.425 9.597 255 H LEU 37 H LEU 37 17.053 -0.438 6.778 256 HA LEU 37 HA LEU 37 14.516 0.954 6.678 257 HB2 LEU 37 1HB LEU 37 15.140 -0.929 5.147 258 HB3 LEU 37 2HB LEU 37 15.032 -2.010 6.535 259 HG LEU 37 HG LEU 37 12.599 -1.063 6.712 260 HD11 LEU 37 1HD1 LEU 37 12.578 -0.937 3.794 261 HD12 LEU 37 2HD1 LEU 37 13.419 0.409 4.562 262 HD13 LEU 37 3HD1 LEU 37 11.741 0.063 4.982 263 HD21 LEU 37 1HD2 LEU 37 13.166 -2.934 4.435 264 HD22 LEU 37 2HD2 LEU 37 11.819 -2.952 5.573 265 HD23 LEU 37 3HD2 LEU 37 13.437 -3.403 6.114 266 H LEU 38 H LEU 38 13.117 1.152 8.304 267 HA LEU 38 HA LEU 38 13.479 -0.561 10.673 268 HB2 LEU 38 1HB LEU 38 12.638 2.333 10.647 269 HB3 LEU 38 2HB LEU 38 12.827 1.316 12.073 270 HG LEU 38 HG LEU 38 15.148 1.872 10.258 271 HD11 LEU 38 1HD1 LEU 38 15.016 3.529 12.644 272 HD12 LEU 38 2HD1 LEU 38 13.744 3.897 11.480 273 HD13 LEU 38 3HD1 LEU 38 15.435 3.959 10.986 274 HD21 LEU 38 1HD2 LEU 38 15.035 0.104 12.167 275 HD22 LEU 38 2HD2 LEU 38 15.219 1.505 13.222 276 HD23 LEU 38 3HD2 LEU 38 16.453 1.142 12.014 277 H GLY 39 H GLY 39 11.350 0.768 8.332 278 HA2 GLY 39 1HA GLY 39 9.279 -0.979 8.691 279 HA3 GLY 39 2HA GLY 39 8.916 0.339 9.795 280 H TYR 40 H TYR 40 7.018 0.099 8.106 281 HA TYR 40 HA TYR 40 7.159 2.442 6.470 282 HB2 TYR 40 1HB TYR 40 6.328 0.872 4.447 283 HB3 TYR 40 2HB TYR 40 8.009 1.344 4.670 284 HD1 TYR 40 1HD TYR 40 5.941 -1.216 6.432 285 HD2 TYR 40 2HD TYR 40 9.310 -0.437 3.952 286 HE1 TYR 40 1HE TYR 40 6.582 -3.587 6.567 287 HE2 TYR 40 2HE TYR 40 9.959 -2.805 4.079 288 HH TYR 40 HH TYR 40 9.604 -4.754 5.197 289 H ARG 41 H ARG 41 5.110 3.100 5.681 290 HA ARG 41 HA ARG 41 2.870 1.724 7.002 291 HB2 ARG 41 1HB ARG 41 3.064 3.934 7.848 292 HB3 ARG 41 2HB ARG 41 3.297 4.608 6.241 293 HG2 ARG 41 1HG ARG 41 0.920 3.743 5.768 294 HG3 ARG 41 2HG ARG 41 0.780 3.629 7.523 295 HD2 ARG 41 1HD ARG 41 1.750 6.150 6.235 296 HD3 ARG 41 2HD ARG 41 0.024 5.799 6.322 297 HE ARG 41 HE ARG 41 0.770 5.454 8.864 298 HH11 ARG 41 2HH1 ARG 41 1.449 8.003 6.592 299 HH12 ARG 41 1HH1 ARG 41 1.573 9.231 7.808 300 HH21 ARG 41 2HH2 ARG 41 0.931 7.062 10.474 301 HH22 ARG 41 1HH2 ARG 41 1.279 8.694 10.016 302 H LEU 42 H LEU 42 0.963 1.322 5.886 303 HA LEU 42 HA LEU 42 1.165 1.545 2.955 304 HB2 LEU 42 1HB LEU 42 1.082 -0.753 4.290 305 HB3 LEU 42 2HB LEU 42 -0.651 -0.440 4.210 306 HG LEU 42 HG LEU 42 1.183 -0.634 1.821 307 HD11 LEU 42 1HD1 LEU 42 -0.922 -2.641 2.429 308 HD12 LEU 42 2HD1 LEU 42 0.602 -2.731 3.312 309 HD13 LEU 42 3HD1 LEU 42 0.597 -2.821 1.551 310 HD21 LEU 42 1HD2 LEU 42 -1.529 0.306 2.186 311 HD22 LEU 42 2HD2 LEU 42 -1.454 -1.056 1.067 312 HD23 LEU 42 3HD2 LEU 42 -0.487 0.388 0.765 313 H GLN 43 H GLN 43 -0.353 2.677 1.928 314 HA GLN 43 HA GLN 43 -2.892 3.211 3.314 315 HB2 GLN 43 1HB GLN 43 -1.360 5.238 1.679 316 HB3 GLN 43 2HB GLN 43 -2.861 5.509 2.554 317 HG2 GLN 43 1HG GLN 43 -1.466 4.786 4.626 318 HG3 GLN 43 2HG GLN 43 -0.089 5.194 3.603 319 HE21 GLN 43 1HE2 GLN 43 -3.216 6.521 4.624 320 HE22 GLN 43 2HE2 GLN 43 -2.666 8.151 4.784 321 H TYR 44 H TYR 44 -4.484 2.359 2.165 322 HA TYR 44 HA TYR 44 -4.498 2.735 -0.740 323 HB2 TYR 44 1HB TYR 44 -5.211 0.423 -1.111 324 HB3 TYR 44 2HB TYR 44 -3.630 0.470 -0.339 325 HD1 TYR 44 1HD TYR 44 -7.238 -0.096 0.297 326 HD2 TYR 44 2HD TYR 44 -3.266 -0.582 1.743 327 HE1 TYR 44 1HE TYR 44 -8.074 -1.570 2.080 328 HE2 TYR 44 2HE TYR 44 -4.090 -2.059 3.528 329 HH TYR 44 HH TYR 44 -6.381 -2.348 4.765 330 H CYS 45 H CYS 45 -6.484 3.114 -1.609 331 HA CYS 45 HA CYS 45 -8.893 2.592 -0.092 332 HB2 CYS 45 1HB CYS 45 -9.613 5.027 -0.339 333 HB3 CYS 45 2HB CYS 45 -8.417 4.682 0.904 334 HG CYS 45 HG CYS 45 -7.499 5.799 -2.188 335 H ARG 46 H ARG 46 -10.857 3.427 -1.352 336 HA ARG 46 HA ARG 46 -10.685 2.399 -4.002 337 HB2 ARG 46 1HB ARG 46 -12.850 3.610 -2.329 338 HB3 ARG 46 2HB ARG 46 -13.109 3.418 -4.057 339 HG2 ARG 46 1HG ARG 46 -12.360 0.967 -3.630 340 HG3 ARG 46 2HG ARG 46 -12.767 1.332 -1.952 341 HD2 ARG 46 1HD ARG 46 -14.594 1.551 -4.342 342 HD3 ARG 46 2HD ARG 46 -14.668 0.333 -3.070 343 HE ARG 46 HE ARG 46 -14.870 2.940 -1.977 344 HH11 ARG 46 2HH1 ARG 46 -16.679 0.546 -3.743 345 HH12 ARG 46 1HH1 ARG 46 -18.218 1.091 -3.162 346 HH21 ARG 46 2HH2 ARG 46 -16.890 3.666 -1.205 347 HH22 ARG 46 1HH2 ARG 46 -18.336 2.867 -1.719 348 H ALA 47 H ALA 47 -11.419 3.570 -5.937 349 HA ALA 47 HA ALA 47 -9.951 5.983 -6.279 350 HB1 ALA 47 1HB ALA 47 -11.447 4.132 -7.972 351 HB2 ALA 47 2HB ALA 47 -11.539 5.813 -8.499 352 HB3 ALA 47 3HB ALA 47 -9.968 5.034 -8.305 353 H ASP 48 H ASP 48 -12.784 5.524 -4.745 354 HA ASP 48 HA ASP 48 -13.768 8.203 -5.476 355 HB2 ASP 48 1HB ASP 48 -15.180 6.064 -6.106 356 HB3 ASP 48 2HB ASP 48 -15.647 6.137 -4.410 357 H GLU 49 H GLU 49 -12.043 6.867 -3.252 358 HA GLU 49 HA GLU 49 -13.572 7.616 -0.890 359 HB2 GLU 49 1HB GLU 49 -11.118 6.056 -1.429 360 HB3 GLU 49 2HB GLU 49 -11.133 6.960 0.079 361 HG2 GLU 49 1HG GLU 49 -13.097 4.863 -0.804 362 HG3 GLU 49 2HG GLU 49 -11.921 4.748 0.503 363 H ALA 50 H ALA 50 -12.483 8.964 0.787 364 HA ALA 50 HA ALA 50 -11.025 11.189 -0.486 365 HB1 ALA 50 1HB ALA 50 -12.550 11.616 2.030 366 HB2 ALA 50 2HB ALA 50 -12.240 12.722 0.692 367 HB3 ALA 50 3HB ALA 50 -13.450 11.451 0.522 368 H ARG 51 H ARG 51 -11.181 8.987 2.213 369 HA ARG 51 HA ARG 51 -8.602 10.047 3.169 370 HB2 ARG 51 1HB ARG 51 -10.894 8.894 4.761 371 HB3 ARG 51 2HB ARG 51 -9.283 9.137 5.424 372 HG2 ARG 51 1HG ARG 51 -9.445 11.493 5.174 373 HG3 ARG 51 2HG ARG 51 -10.925 11.350 4.224 374 HD2 ARG 51 1HD ARG 51 -10.601 10.592 7.126 375 HD3 ARG 51 2HD ARG 51 -11.398 12.044 6.520 376 HE ARG 51 HE ARG 51 -13.226 10.764 5.901 377 HH11 ARG 51 2HH1 ARG 51 -10.614 8.732 6.985 378 HH12 ARG 51 1HH1 ARG 51 -11.595 7.309 7.098 379 HH21 ARG 51 2HH2 ARG 51 -14.528 8.896 6.046 380 HH22 ARG 51 1HH2 ARG 51 -13.821 7.403 6.563 381 HA PRO 52 HA PRO 52 -7.291 5.953 1.950 382 HB2 PRO 52 1HB PRO 52 -4.670 6.336 2.544 383 HB3 PRO 52 2HB PRO 52 -5.426 6.971 1.077 384 HG2 PRO 52 1HG PRO 52 -4.822 8.369 3.655 385 HG3 PRO 52 2HG PRO 52 -4.596 8.942 1.992 386 HD2 PRO 52 1HD PRO 52 -6.702 9.694 3.518 387 HD3 PRO 52 2HD PRO 52 -6.815 9.518 1.755 388 H ASN 53 H ASN 53 -6.936 4.074 3.038 389 HA ASN 53 HA ASN 53 -7.201 4.106 5.892 390 HB2 ASN 53 1HB ASN 53 -6.867 1.887 3.873 391 HB3 ASN 53 2HB ASN 53 -6.971 1.583 5.605 392 HD21 ASN 53 1HD2 ASN 53 -8.681 2.208 2.741 393 HD22 ASN 53 2HD2 ASN 53 -10.267 2.280 3.423 394 H THR 54 H THR 54 -5.452 4.829 6.974 395 HA THR 54 HA THR 54 -2.767 4.236 6.196 396 HB THR 54 HB THR 54 -3.673 5.262 8.888 397 HG1 THR 54 1HG THR 54 -4.262 6.411 6.704 398 HG21 THR 54 1HG2 THR 54 -1.496 5.399 9.337 399 HG22 THR 54 2HG2 THR 54 -1.259 6.421 7.919 400 HG23 THR 54 3HG2 THR 54 -1.130 4.668 7.775 401 H ILE 55 H ILE 55 -1.524 2.558 6.737 402 HA ILE 55 HA ILE 55 -2.278 0.909 9.046 403 HB ILE 55 HB ILE 55 -1.597 -0.167 6.308 404 HG12 ILE 55 1HG1 ILE 55 -4.114 -0.570 7.926 405 HG13 ILE 55 2HG1 ILE 55 -3.947 0.696 6.715 406 HG21 ILE 55 1HG2 ILE 55 -0.604 -1.717 7.681 407 HG22 ILE 55 2HG2 ILE 55 -1.745 -1.442 8.997 408 HG23 ILE 55 3HG2 ILE 55 -2.242 -2.364 7.578 409 HD11 ILE 55 1HD1 ILE 55 -4.737 -1.974 6.345 410 HD12 ILE 55 2HD1 ILE 55 -4.490 -0.729 5.119 411 HD13 ILE 55 3HD1 ILE 55 -3.161 -1.795 5.574 412 H ASP 56 H ASP 56 -0.589 -0.040 10.140 413 HA ASP 56 HA ASP 56 2.071 0.962 9.432 414 HB2 ASP 56 1HB ASP 56 1.166 1.410 11.713 415 HB3 ASP 56 2HB ASP 56 1.156 -0.326 12.011 416 H PHE 57 H PHE 57 3.819 -0.357 9.110 417 HA PHE 57 HA PHE 57 3.447 -3.250 9.324 418 HB2 PHE 57 1HB PHE 57 4.042 -1.730 6.805 419 HB3 PHE 57 2HB PHE 57 4.646 -3.371 7.011 420 HD1 PHE 57 1HD PHE 57 2.914 -5.178 7.611 421 HD2 PHE 57 2HD PHE 57 1.902 -1.369 6.005 422 HE1 PHE 57 1HE PHE 57 0.744 -6.070 6.872 423 HE2 PHE 57 2HE PHE 57 -0.271 -2.255 5.264 424 HZ PHE 57 HZ PHE 57 -0.853 -4.608 5.698 425 H GLY 58 H GLY 58 5.304 -4.394 9.750 426 HA2 GLY 58 1HA GLY 58 7.580 -2.791 10.599 427 HA3 GLY 58 2HA GLY 58 7.325 -4.499 10.927 428 H LYS 59 H LYS 59 9.757 -3.284 10.033 429 HA LYS 59 HA LYS 59 10.358 -3.345 7.379 430 HB2 LYS 59 1HB LYS 59 12.626 -3.908 7.978 431 HB3 LYS 59 2HB LYS 59 11.963 -2.841 9.209 432 HG2 LYS 59 1HG LYS 59 11.398 -5.045 10.453 433 HG3 LYS 59 2HG LYS 59 12.604 -5.752 9.376 434 HD2 LYS 59 1HD LYS 59 13.872 -5.159 11.221 435 HD3 LYS 59 2HD LYS 59 14.090 -3.771 10.152 436 HE2 LYS 59 1HE LYS 59 12.717 -2.412 11.424 437 HE3 LYS 59 2HE LYS 59 11.869 -3.776 12.151 438 HZ1 LYS 59 1HZ LYS 59 13.301 -2.769 13.769 439 HZ2 LYS 59 2HZ LYS 59 14.642 -2.898 12.746 440 HZ3 LYS 59 3HZ LYS 59 13.924 -4.293 13.378 441 H ASP 60 H ASP 60 9.634 -6.064 9.437 442 HA ASP 60 HA ASP 60 10.570 -8.073 7.632 443 HB2 ASP 60 1HB ASP 60 8.625 -8.264 9.942 444 HB3 ASP 60 2HB ASP 60 9.333 -9.637 9.097 445 H ASP 61 H ASP 61 7.489 -6.483 8.223 446 HA ASP 61 HA ASP 61 5.931 -8.193 6.576 447 HB2 ASP 61 1HB ASP 61 5.533 -5.494 7.807 448 HB3 ASP 61 2HB ASP 61 4.407 -6.046 6.571 449 H GLN 62 H GLN 62 6.955 -8.445 4.597 450 HA GLN 62 HA GLN 62 7.376 -6.051 2.965 451 HB2 GLN 62 1HB GLN 62 8.335 -8.885 2.805 452 HB3 GLN 62 2HB GLN 62 8.335 -7.882 1.360 453 HG2 GLN 62 1HG GLN 62 9.682 -6.203 2.648 454 HG3 GLN 62 2HG GLN 62 9.831 -7.412 3.922 455 HE21 GLN 62 1HE2 GLN 62 10.408 -6.891 0.475 456 HE22 GLN 62 2HE2 GLN 62 11.803 -7.905 0.374 457 H HIS 63 H HIS 63 4.943 -8.169 3.593 458 HA HIS 63 HA HIS 63 3.533 -7.437 1.180 459 HB2 HIS 63 1HB HIS 63 2.862 -9.924 0.864 460 HB3 HIS 63 2HB HIS 63 4.412 -9.378 0.231 461 HD1 HIS 63 1HD HIS 63 6.239 -10.953 0.723 462 HD2 HIS 63 2HD HIS 63 3.314 -11.032 3.672 463 HE1 HIS 63 1HE HIS 63 6.995 -12.693 2.374 464 HE2 HIS 63 2HE HIS 63 5.168 -12.783 4.105 465 H PHE 64 H PHE 64 1.244 -7.934 1.290 466 HA PHE 64 HA PHE 64 0.248 -8.728 3.922 467 HB2 PHE 64 1HB PHE 64 0.484 -6.222 3.855 468 HB3 PHE 64 2HB PHE 64 -0.699 -6.207 2.552 469 HD1 PHE 64 2HD PHE 64 -0.297 -7.550 6.008 470 HD2 PHE 64 1HD PHE 64 -2.899 -5.855 3.097 471 HE1 PHE 64 2HE PHE 64 -2.114 -7.502 7.666 472 HE2 PHE 64 1HE PHE 64 -4.720 -5.803 4.751 473 HZ PHE 64 HZ PHE 64 -4.330 -6.629 7.038 474 H THR 65 H THR 65 -1.512 -9.979 3.807 475 HA THR 65 HA THR 65 -2.649 -10.501 1.174 476 HB THR 65 HB THR 65 -3.216 -11.932 3.776 477 HG1 THR 65 1HG THR 65 -1.183 -12.524 3.457 478 HG21 THR 65 1HG2 THR 65 -4.603 -13.261 2.627 479 HG22 THR 65 2HG2 THR 65 -3.459 -13.426 1.294 480 HG23 THR 65 3HG2 THR 65 -4.551 -12.043 1.354 481 H VAL 66 H VAL 66 -4.335 -9.326 0.553 482 HA VAL 66 HA VAL 66 -6.293 -8.477 2.584 483 HB VAL 66 HB VAL 66 -5.703 -7.253 -0.115 484 HG11 VAL 66 1HG1 VAL 66 -7.288 -5.511 0.527 485 HG12 VAL 66 2HG1 VAL 66 -8.074 -7.090 0.466 486 HG13 VAL 66 3HG1 VAL 66 -7.645 -6.376 2.021 487 HG21 VAL 66 1HG2 VAL 66 -4.075 -6.201 0.986 488 HG22 VAL 66 2HG2 VAL 66 -5.343 -5.352 1.871 489 HG23 VAL 66 3HG2 VAL 66 -4.629 -6.818 2.542 490 H THR 67 H THR 67 -8.212 -9.428 2.540 491 HA THR 67 HA THR 67 -9.189 -10.531 -0.011 492 HB THR 67 HB THR 67 -10.179 -12.417 1.166 493 HG1 THR 67 1HG THR 67 -9.166 -12.536 3.491 494 HG21 THR 67 1HG2 THR 67 -7.462 -12.593 2.280 495 HG22 THR 67 2HG2 THR 67 -7.540 -12.138 0.578 496 HG23 THR 67 3HG2 THR 67 -8.284 -13.640 1.125 497 H GLY 68 H GLY 68 -11.483 -10.609 -0.261 498 HA2 GLY 68 1HA GLY 68 -13.701 -10.086 0.370 499 HA3 GLY 68 2HA GLY 68 -13.072 -9.145 1.714 500 H LEU 69 H LEU 69 -11.306 -8.395 -0.993 501 HA LEU 69 HA LEU 69 -12.196 -5.752 -1.137 502 HB2 LEU 69 1HB LEU 69 -10.661 -7.443 -3.096 503 HB3 LEU 69 2HB LEU 69 -10.964 -5.724 -3.341 504 HG LEU 69 HG LEU 69 -9.485 -6.834 -0.961 505 HD11 LEU 69 1HD1 LEU 69 -7.440 -6.325 -2.045 506 HD12 LEU 69 2HD1 LEU 69 -8.269 -5.570 -3.405 507 HD13 LEU 69 3HD1 LEU 69 -8.376 -7.314 -3.167 508 HD21 LEU 69 1HD2 LEU 69 -8.656 -4.454 -0.893 509 HD22 LEU 69 2HD2 LEU 69 -10.355 -4.685 -0.481 510 HD23 LEU 69 3HD2 LEU 69 -9.909 -4.070 -2.073 511 H HIS 70 H HIS 70 -13.538 -4.651 -2.534 512 HA HIS 70 HA HIS 70 -15.774 -6.083 -3.548 513 HB2 HIS 70 1HB HIS 70 -14.904 -3.215 -3.601 514 HB3 HIS 70 2HB HIS 70 -16.262 -3.736 -4.595 515 HD1 HIS 70 1HD HIS 70 -17.849 -2.251 -3.154 516 HD2 HIS 70 2HD HIS 70 -15.980 -5.319 -1.067 517 HE1 HIS 70 1HE HIS 70 -19.090 -2.435 -0.974 518 HE2 HIS 70 2HE HIS 70 -17.888 -4.240 0.306 519 H LYS 71 H LYS 71 -16.062 -6.998 -5.468 520 HA LYS 71 HA LYS 71 -14.001 -6.973 -7.438 521 HB2 LYS 71 1HB LYS 71 -15.550 -8.384 -8.748 522 HB3 LYS 71 2HB LYS 71 -15.345 -8.963 -7.101 523 HG2 LYS 71 1HG LYS 71 -17.481 -8.290 -6.466 524 HG3 LYS 71 2HG LYS 71 -17.643 -7.191 -7.838 525 HD2 LYS 71 1HD LYS 71 -17.781 -9.070 -9.364 526 HD3 LYS 71 2HD LYS 71 -17.512 -10.201 -8.036 527 HE2 LYS 71 1HE LYS 71 -19.866 -10.124 -8.571 528 HE3 LYS 71 2HE LYS 71 -19.598 -9.408 -6.982 529 HZ1 LYS 71 1HZ LYS 71 -19.818 -7.236 -7.898 530 HZ2 LYS 71 2HZ LYS 71 -21.146 -8.142 -8.423 531 HZ3 LYS 71 3HZ LYS 71 -19.863 -7.830 -9.481 532 H GLY 72 H GLY 72 -14.113 -6.208 -9.592 533 HA2 GLY 72 1HA GLY 72 -14.593 -4.675 -11.231 534 HA3 GLY 72 2HA GLY 72 -16.253 -4.723 -10.655 535 H THR 73 H THR 73 -13.522 -3.763 -8.675 536 HA THR 73 HA THR 73 -14.385 -0.959 -8.861 537 HB THR 73 HB THR 73 -13.887 -2.490 -6.303 538 HG1 THR 73 1HG THR 73 -15.987 -2.748 -6.719 539 HG21 THR 73 1HG2 THR 73 -13.649 0.353 -6.915 540 HG22 THR 73 2HG2 THR 73 -13.118 -0.546 -5.494 541 HG23 THR 73 3HG2 THR 73 -14.784 0.019 -5.608 542 H THR 74 H THR 74 -12.756 0.426 -9.132 543 HA THR 74 HA THR 74 -10.055 -0.543 -9.238 544 HB THR 74 HB THR 74 -11.081 2.285 -9.551 545 HG1 THR 74 1HG THR 74 -11.885 0.716 -11.103 546 HG21 THR 74 1HG2 THR 74 -8.974 2.942 -9.905 547 HG22 THR 74 2HG2 THR 74 -8.658 1.578 -10.978 548 HG23 THR 74 3HG2 THR 74 -8.469 1.392 -9.235 549 H TYR 75 H TYR 75 -8.377 -0.126 -7.874 550 HA TYR 75 HA TYR 75 -8.978 1.424 -5.442 551 HB2 TYR 75 1HB TYR 75 -7.779 -1.303 -5.730 552 HB3 TYR 75 2HB TYR 75 -7.273 -0.282 -4.389 553 HD1 TYR 75 1HD TYR 75 -8.993 0.514 -2.743 554 HD2 TYR 75 2HD TYR 75 -9.864 -2.424 -5.695 555 HE1 TYR 75 1HE TYR 75 -10.977 -0.174 -1.464 556 HE2 TYR 75 2HE TYR 75 -11.852 -3.119 -4.424 557 HH TYR 75 HH TYR 75 -12.446 -2.055 -1.215 558 H ILE 76 H ILE 76 -6.993 2.151 -4.285 559 HA ILE 76 HA ILE 76 -4.724 2.587 -6.101 560 HB ILE 76 HB ILE 76 -5.951 4.728 -4.359 561 HG12 ILE 76 1HG1 ILE 76 -5.812 4.905 -7.337 562 HG13 ILE 76 2HG1 ILE 76 -7.077 3.915 -6.617 563 HG21 ILE 76 1HG2 ILE 76 -3.444 4.746 -4.716 564 HG22 ILE 76 2HG2 ILE 76 -3.785 5.044 -6.420 565 HG23 ILE 76 3HG2 ILE 76 -4.312 6.204 -5.199 566 HD11 ILE 76 1HD1 ILE 76 -7.776 5.895 -5.291 567 HD12 ILE 76 2HD1 ILE 76 -6.606 6.853 -6.200 568 HD13 ILE 76 3HD1 ILE 76 -7.958 6.087 -7.034 569 H PHE 77 H PHE 77 -3.230 1.356 -5.099 570 HA PHE 77 HA PHE 77 -2.956 1.457 -2.203 571 HB2 PHE 77 1HB PHE 77 -1.675 -0.226 -4.350 572 HB3 PHE 77 2HB PHE 77 -1.107 -0.250 -2.684 573 HD1 PHE 77 1HD PHE 77 -3.834 -1.146 -4.949 574 HD2 PHE 77 2HD PHE 77 -2.424 -1.258 -0.934 575 HE1 PHE 77 1HE PHE 77 -5.558 -2.811 -4.393 576 HE2 PHE 77 2HE PHE 77 -4.145 -2.923 -0.372 577 HZ PHE 77 HZ PHE 77 -5.715 -3.703 -2.103 578 H ARG 78 H ARG 78 -1.252 2.333 -1.113 579 HA ARG 78 HA ARG 78 0.940 3.518 -2.647 580 HB2 ARG 78 1HB ARG 78 -1.018 4.989 -0.925 581 HB3 ARG 78 2HB ARG 78 0.646 5.553 -1.018 582 HG2 ARG 78 1HG ARG 78 0.375 5.603 -3.517 583 HG3 ARG 78 2HG ARG 78 -1.346 5.313 -3.255 584 HD2 ARG 78 1HD ARG 78 -1.161 7.351 -1.644 585 HD3 ARG 78 2HD ARG 78 0.304 7.707 -2.559 586 HE ARG 78 HE ARG 78 -0.994 8.313 -4.355 587 HH11 ARG 78 2HH1 ARG 78 -2.961 6.687 -1.987 588 HH12 ARG 78 1HH1 ARG 78 -4.457 7.081 -2.766 589 HH21 ARG 78 2HH2 ARG 78 -2.957 8.838 -5.391 590 HH22 ARG 78 1HH2 ARG 78 -4.454 8.305 -4.703 591 H LEU 79 H LEU 79 2.812 2.968 -1.759 592 HA LEU 79 HA LEU 79 2.889 2.420 1.135 593 HB2 LEU 79 1HB LEU 79 3.103 0.405 -0.317 594 HB3 LEU 79 2HB LEU 79 4.572 1.107 -0.992 595 HG LEU 79 HG LEU 79 5.512 1.078 1.356 596 HD11 LEU 79 1HD1 LEU 79 4.456 0.020 3.079 597 HD12 LEU 79 2HD1 LEU 79 3.504 -1.012 2.012 598 HD13 LEU 79 3HD1 LEU 79 3.056 0.679 2.231 599 HD21 LEU 79 1HD2 LEU 79 5.034 -1.171 -0.461 600 HD22 LEU 79 2HD2 LEU 79 5.470 -1.639 1.183 601 HD23 LEU 79 3HD2 LEU 79 6.536 -0.585 0.253 602 H ALA 80 H ALA 80 4.739 3.045 2.276 603 HA ALA 80 HA ALA 80 6.706 4.673 0.832 604 HB1 ALA 80 1HB ALA 80 5.353 6.399 1.568 605 HB2 ALA 80 2HB ALA 80 4.944 5.576 3.074 606 HB3 ALA 80 3HB ALA 80 6.547 6.279 2.860 607 H ALA 81 H ALA 81 8.746 4.766 1.775 608 HA ALA 81 HA ALA 81 9.294 2.626 3.670 609 HB1 ALA 81 1HB ALA 81 11.377 4.382 2.424 610 HB2 ALA 81 2HB ALA 81 11.511 2.709 2.967 611 HB3 ALA 81 3HB ALA 81 10.604 3.092 1.504 612 H LYS 82 H LYS 82 10.409 2.905 5.619 613 HA LYS 82 HA LYS 82 10.516 5.669 6.631 614 HB2 LYS 82 1HB LYS 82 8.599 4.153 7.487 615 HB3 LYS 82 2HB LYS 82 9.858 3.326 8.396 616 HG2 LYS 82 1HG LYS 82 10.432 5.784 9.163 617 HG3 LYS 82 2HG LYS 82 8.737 6.052 8.748 618 HD2 LYS 82 1HD LYS 82 9.616 3.790 10.523 619 HD3 LYS 82 2HD LYS 82 9.252 5.396 11.157 620 HE2 LYS 82 1HE LYS 82 7.010 5.210 10.027 621 HE3 LYS 82 2HE LYS 82 7.398 3.521 9.701 622 HZ1 LYS 82 1HZ LYS 82 6.270 4.560 11.995 623 HZ2 LYS 82 2HZ LYS 82 7.848 4.136 12.429 624 HZ3 LYS 82 3HZ LYS 82 6.817 2.978 11.754 625 H ASN 83 H ASN 83 12.480 6.251 7.259 626 HA ASN 83 HA ASN 83 14.364 4.147 8.102 627 HB2 ASN 83 1HB ASN 83 16.176 5.531 7.213 628 HB3 ASN 83 2HB ASN 83 14.997 5.174 5.955 629 HD21 ASN 83 1HD2 ASN 83 16.122 7.042 4.971 630 HD22 ASN 83 2HD2 ASN 83 15.525 8.623 5.329 631 H ARG 84 H ARG 84 16.327 5.384 9.281 632 HA ARG 84 HA ARG 84 15.553 5.988 11.817 633 HB2 ARG 84 1HB ARG 84 17.896 5.616 11.081 634 HB3 ARG 84 2HB ARG 84 17.914 7.239 10.404 635 HG2 ARG 84 1HG ARG 84 18.971 7.474 12.458 636 HG3 ARG 84 2HG ARG 84 17.323 8.025 12.768 637 HD2 ARG 84 1HD ARG 84 17.873 6.631 14.583 638 HD3 ARG 84 2HD ARG 84 16.832 5.661 13.542 639 HE ARG 84 HE ARG 84 19.293 4.991 12.688 640 HH11 ARG 84 2HH1 ARG 84 17.867 5.155 15.860 641 HH12 ARG 84 1HH1 ARG 84 18.852 3.887 16.511 642 HH21 ARG 84 2HH2 ARG 84 20.594 3.319 13.533 643 HH22 ARG 84 1HH2 ARG 84 20.403 2.843 15.187 644 H ALA 85 H ALA 85 15.787 8.211 9.095 645 HA ALA 85 HA ALA 85 15.242 10.555 10.650 646 HB1 ALA 85 1HB ALA 85 14.719 11.430 8.215 647 HB2 ALA 85 2HB ALA 85 16.373 11.138 8.754 648 HB3 ALA 85 3HB ALA 85 15.546 9.941 7.758 649 H GLY 86 H GLY 86 13.332 8.217 8.880 650 HA2 GLY 86 1HA GLY 86 11.003 8.138 9.951 651 HA3 GLY 86 2HA GLY 86 10.907 9.807 9.409 652 H LEU 87 H LEU 87 8.984 9.004 8.267 653 HA LEU 87 HA LEU 87 9.228 7.143 6.134 654 HB2 LEU 87 1HB LEU 87 7.147 9.289 6.516 655 HB3 LEU 87 2HB LEU 87 7.010 7.863 5.489 656 HG LEU 87 HG LEU 87 7.407 7.548 8.438 657 HD11 LEU 87 1HD1 LEU 87 4.631 7.460 7.556 658 HD12 LEU 87 2HD1 LEU 87 5.341 9.072 7.478 659 HD13 LEU 87 3HD1 LEU 87 5.343 8.181 8.999 660 HD21 LEU 87 1HD2 LEU 87 7.215 5.786 6.342 661 HD22 LEU 87 2HD2 LEU 87 5.574 5.805 6.987 662 HD23 LEU 87 3HD2 LEU 87 6.931 5.402 8.040 663 H GLY 88 H GLY 88 9.220 7.527 3.885 664 HA2 GLY 88 1HA GLY 88 10.154 10.223 3.113 665 HA3 GLY 88 2HA GLY 88 10.872 8.756 2.464 666 H GLU 89 H GLU 89 10.403 9.201 0.329 667 HA GLU 89 HA GLU 89 8.076 10.171 -0.760 668 HB2 GLU 89 1HB GLU 89 9.926 8.067 -1.893 669 HB3 GLU 89 2HB GLU 89 8.697 8.913 -2.822 670 HG2 GLU 89 1HG GLU 89 9.810 10.992 -2.563 671 HG3 GLU 89 2HG GLU 89 10.923 10.317 -1.375 672 H GLU 90 H GLU 90 6.599 8.782 -2.258 673 HA GLU 90 HA GLU 90 5.795 6.291 -0.951 674 HB2 GLU 90 1HB GLU 90 3.425 7.001 -0.952 675 HB3 GLU 90 2HB GLU 90 4.422 7.973 0.121 676 HG2 GLU 90 1HG GLU 90 4.206 9.851 -1.142 677 HG3 GLU 90 2HG GLU 90 4.011 8.952 -2.646 678 H PHE 91 H PHE 91 5.121 4.761 -2.340 679 HA PHE 91 HA PHE 91 5.223 5.374 -5.172 680 HB2 PHE 91 1HB PHE 91 6.339 3.354 -4.224 681 HB3 PHE 91 2HB PHE 91 4.751 2.712 -3.815 682 HD1 PHE 91 2HD PHE 91 3.157 2.133 -5.632 683 HD2 PHE 91 1HD PHE 91 7.203 3.200 -6.414 684 HE1 PHE 91 2HE PHE 91 2.984 1.135 -7.874 685 HE2 PHE 91 1HE PHE 91 7.035 2.204 -8.657 686 HZ PHE 91 HZ PHE 91 4.924 1.169 -9.390 687 H GLU 92 H GLU 92 3.560 4.900 -6.660 688 HA GLU 92 HA GLU 92 0.876 4.649 -5.474 689 HB2 GLU 92 1HB GLU 92 1.275 6.960 -6.199 690 HB3 GLU 92 2HB GLU 92 1.678 6.389 -7.812 691 HG2 GLU 92 1HG GLU 92 -0.636 5.437 -7.951 692 HG3 GLU 92 2HG GLU 92 -0.994 6.278 -6.443 693 H LYS 93 H LYS 93 -0.486 3.225 -6.408 694 HA LYS 93 HA LYS 93 0.116 2.157 -9.054 695 HB2 LYS 93 1HB LYS 93 1.186 0.796 -7.057 696 HB3 LYS 93 2HB LYS 93 -0.448 0.165 -6.900 697 HG2 LYS 93 1HG LYS 93 1.037 0.121 -9.507 698 HG3 LYS 93 2HG LYS 93 1.180 -1.171 -8.312 699 HD2 LYS 93 1HD LYS 93 -1.127 -1.699 -8.479 700 HD3 LYS 93 2HD LYS 93 -1.468 -0.229 -9.395 701 HE2 LYS 93 1HE LYS 93 -1.456 -2.115 -10.894 702 HE3 LYS 93 2HE LYS 93 -0.058 -1.095 -11.233 703 HZ1 LYS 93 1HZ LYS 93 1.366 -2.614 -10.139 704 HZ2 LYS 93 2HZ LYS 93 0.394 -3.536 -11.171 705 HZ3 LYS 93 3HZ LYS 93 0.073 -3.505 -9.510 706 H GLU 94 H GLU 94 -1.689 1.910 -10.201 707 HA GLU 94 HA GLU 94 -4.251 1.871 -8.750 708 HB2 GLU 94 1HB GLU 94 -3.807 3.836 -10.237 709 HB3 GLU 94 2HB GLU 94 -3.761 2.732 -11.604 710 HG2 GLU 94 1HG GLU 94 -6.053 2.161 -11.321 711 HG3 GLU 94 2HG GLU 94 -6.135 3.021 -9.784 712 H ILE 95 H ILE 95 -5.387 0.057 -8.818 713 HA ILE 95 HA ILE 95 -5.029 -1.752 -11.114 714 HB ILE 95 HB ILE 95 -5.134 -3.678 -9.706 715 HG12 ILE 95 1HG1 ILE 95 -6.740 -2.799 -8.055 716 HG13 ILE 95 2HG1 ILE 95 -5.350 -3.544 -7.273 717 HG21 ILE 95 1HG2 ILE 95 -3.233 -2.538 -7.942 718 HG22 ILE 95 2HG2 ILE 95 -2.947 -3.490 -9.397 719 HG23 ILE 95 3HG2 ILE 95 -3.073 -1.734 -9.503 720 HD11 ILE 95 1HD1 ILE 95 -4.502 -1.007 -7.368 721 HD12 ILE 95 2HD1 ILE 95 -6.244 -0.741 -7.285 722 HD13 ILE 95 3HD1 ILE 95 -5.434 -1.675 -6.028 723 H ARG 96 H ARG 96 -6.873 -3.607 -10.730 724 HA ARG 96 HA ARG 96 -9.395 -2.515 -9.873 725 HB2 ARG 96 1HB ARG 96 -9.193 -1.459 -12.069 726 HB3 ARG 96 2HB ARG 96 -8.905 -3.027 -12.812 727 HG2 ARG 96 1HG ARG 96 -11.173 -3.725 -12.043 728 HG3 ARG 96 2HG ARG 96 -11.442 -2.062 -11.518 729 HD2 ARG 96 1HD ARG 96 -12.404 -2.412 -13.715 730 HD3 ARG 96 2HD ARG 96 -11.047 -1.289 -13.815 731 HE ARG 96 HE ARG 96 -9.982 -3.764 -14.336 732 HH11 ARG 96 2HH1 ARG 96 -12.485 -1.773 -15.711 733 HH12 ARG 96 1HH1 ARG 96 -12.275 -2.389 -17.316 734 HH21 ARG 96 2HH2 ARG 96 -9.695 -4.583 -16.446 735 HH22 ARG 96 1HH2 ARG 96 -10.688 -3.988 -17.733 736 H THR 97 H THR 97 -10.433 -4.152 -8.969 737 HA THR 97 HA THR 97 -9.622 -6.849 -9.281 738 HB THR 97 HB THR 97 -11.618 -7.398 -7.903 739 HG1 THR 97 1HG THR 97 -12.127 -4.653 -7.586 740 HG21 THR 97 1HG2 THR 97 -9.541 -5.442 -7.145 741 HG22 THR 97 2HG2 THR 97 -9.948 -7.000 -6.427 742 HG23 THR 97 3HG2 THR 97 -10.911 -5.574 -6.044 743 HA PRO 98 HA PRO 98 -11.968 -8.113 -12.786 744 HB2 PRO 98 1HB PRO 98 -12.138 -10.772 -12.261 745 HB3 PRO 98 2HB PRO 98 -10.647 -9.993 -12.805 746 HG2 PRO 98 1HG PRO 98 -11.478 -10.766 -10.035 747 HG3 PRO 98 2HG PRO 98 -9.902 -10.956 -10.824 748 HD2 PRO 98 1HD PRO 98 -10.426 -8.951 -9.082 749 HD3 PRO 98 2HD PRO 98 -9.307 -8.761 -10.447 750 H GLU 99 H GLU 99 -14.047 -7.499 -12.888 751 HA GLU 99 HA GLU 99 -15.959 -8.061 -10.851 752 HB2 GLU 99 1HB GLU 99 -17.595 -7.119 -12.498 753 HB3 GLU 99 2HB GLU 99 -16.235 -6.064 -12.139 754 HG2 GLU 99 1HG GLU 99 -15.350 -6.255 -14.226 755 HG3 GLU 99 2HG GLU 99 -16.006 -7.871 -14.478 756 H ASP 100 H ASP 100 -18.095 -9.112 -11.394 757 HA ASP 100 HA ASP 100 -17.687 -11.817 -12.022 758 HB2 ASP 100 1HB ASP 100 -19.565 -10.760 -10.631 759 HB3 ASP 100 2HB ASP 100 -20.365 -10.443 -12.168 760 H LEU 101 H LEU 101 -19.195 -9.210 -13.910 761 HA LEU 101 HA LEU 101 -19.643 -8.993 -16.129 762 HB2 LEU 101 1HB LEU 101 -17.094 -9.608 -16.016 763 HB3 LEU 101 2HB LEU 101 -17.638 -11.107 -16.767 764 HG LEU 101 HG LEU 101 -18.444 -8.525 -18.013 765 HD11 LEU 101 1HD1 LEU 101 -16.420 -8.060 -18.970 766 HD12 LEU 101 2HD1 LEU 101 -15.824 -9.708 -18.780 767 HD13 LEU 101 3HD1 LEU 101 -15.893 -8.630 -17.386 768 HD21 LEU 101 1HD2 LEU 101 -19.353 -10.394 -19.073 769 HD22 LEU 101 2HD2 LEU 101 -17.868 -11.330 -18.907 770 HD23 LEU 101 3HD2 LEU 101 -17.945 -9.994 -20.056 771 H SER 102 H SER 102 -21.494 -10.491 -14.998 772 HA SER 102 HA SER 102 -21.998 -12.595 -16.987 773 HB2 SER 102 1HB SER 102 -22.893 -14.081 -15.311 774 HB3 SER 102 2HB SER 102 -21.277 -13.594 -14.799 775 HG SER 102 HG SER 102 -22.128 -12.335 -13.248 776 H GLY 103 H GLY 103 -24.315 -13.160 -17.171 777 HA2 GLY 103 1HA GLY 103 -26.539 -12.154 -16.184 778 HA3 GLY 103 2HA GLY 103 -25.918 -10.719 -16.986 779 HA PRO 104 HA PRO 104 -28.062 -12.016 -20.598 780 HB2 PRO 104 1HB PRO 104 -26.714 -10.545 -22.439 781 HB3 PRO 104 2HB PRO 104 -27.874 -9.839 -21.307 782 HG2 PRO 104 1HG PRO 104 -24.885 -9.910 -21.158 783 HG3 PRO 104 2HG PRO 104 -25.991 -8.571 -20.802 784 HD2 PRO 104 1HD PRO 104 -24.882 -10.099 -18.862 785 HD3 PRO 104 2HD PRO 104 -26.498 -9.381 -18.705 786 H SER 105 H SER 105 -27.453 -14.202 -20.725 787 HA SER 105 HA SER 105 -25.050 -15.318 -21.369 788 HB2 SER 105 1HB SER 105 -27.868 -16.127 -22.007 789 HB3 SER 105 2HB SER 105 -26.522 -17.078 -22.635 790 HG SER 105 HG SER 105 -25.786 -17.241 -20.433 791 H SER 106 H SER 106 -24.268 -16.265 -23.408 792 HA SER 106 HA SER 106 -25.098 -14.886 -25.839 793 HB2 SER 106 1HB SER 106 -22.800 -14.193 -26.380 794 HB3 SER 106 2HB SER 106 -23.356 -13.433 -24.889 795 HG SER 106 HG SER 106 -22.054 -15.861 -24.604 796 H GLY 107 H GLY 107 -23.561 -15.704 -27.713 797 HA2 GLY 107 1HA GLY 107 -22.697 -17.475 -28.915 798 HA3 GLY 107 2HA GLY 107 -22.507 -18.350 -27.403 Start of MODEL 9 1 H1 GLY 1 H GLY 1 22.743 22.458 0.501 2 HA2 GLY 1 1HA GLY 1 23.293 20.324 -0.179 3 HA3 GLY 1 2HA GLY 1 23.226 19.824 1.504 4 H SER 2 H SER 2 21.098 20.727 -1.200 5 HA SER 2 HA SER 2 18.950 20.095 -1.690 6 HB2 SER 2 1HB SER 2 18.679 17.605 -1.796 7 HB3 SER 2 2HB SER 2 20.152 18.192 -2.567 8 HG SER 2 HG SER 2 20.114 16.317 -0.889 9 H SER 3 H SER 3 19.091 21.119 0.885 10 HA SER 3 HA SER 3 17.924 19.416 2.829 11 HB2 SER 3 1HB SER 3 19.148 21.758 3.045 12 HB3 SER 3 2HB SER 3 17.498 22.372 2.937 13 HG SER 3 HG SER 3 18.743 21.234 5.027 14 H GLY 4 H GLY 4 16.011 18.474 2.467 15 HA2 GLY 4 1HA GLY 4 13.623 19.963 2.447 16 HA3 GLY 4 2HA GLY 4 13.979 19.452 0.803 17 H SER 5 H SER 5 14.250 17.135 0.422 18 HA SER 5 HA SER 5 12.132 15.648 1.524 19 HB2 SER 5 1HB SER 5 14.534 14.783 -0.098 20 HB3 SER 5 2HB SER 5 13.202 13.707 0.321 21 HG SER 5 HG SER 5 13.338 15.661 -1.584 22 H SER 6 H SER 6 15.648 15.362 1.998 23 HA SER 6 HA SER 6 16.844 14.092 3.503 24 HB2 SER 6 1HB SER 6 14.877 15.604 5.232 25 HB3 SER 6 2HB SER 6 16.276 14.743 5.874 26 HG SER 6 HG SER 6 16.606 16.625 3.811 27 H GLY 7 H GLY 7 14.880 12.504 2.310 28 HA2 GLY 7 1HA GLY 7 14.440 10.577 4.466 29 HA3 GLY 7 2HA GLY 7 13.028 11.108 3.565 30 HA PRO 8 HA PRO 8 15.166 7.435 1.499 31 HB2 PRO 8 1HB PRO 8 13.175 5.631 1.884 32 HB3 PRO 8 2HB PRO 8 14.491 5.869 3.039 33 HG2 PRO 8 1HG PRO 8 11.698 6.944 3.102 34 HG3 PRO 8 2HG PRO 8 12.663 6.257 4.422 35 HD2 PRO 8 1HD PRO 8 12.352 8.925 4.080 36 HD3 PRO 8 2HD PRO 8 13.833 8.215 4.753 37 H GLY 9 H GLY 9 14.252 6.167 -0.363 38 HA2 GLY 9 1HA GLY 9 12.580 7.941 -1.955 39 HA3 GLY 9 2HA GLY 9 13.479 6.549 -2.542 40 H ARG 10 H ARG 10 11.142 6.623 -3.607 41 HA ARG 10 HA ARG 10 9.030 5.504 -2.040 42 HB2 ARG 10 1HB ARG 10 8.004 5.101 -4.352 43 HB3 ARG 10 2HB ARG 10 8.315 6.768 -3.886 44 HG2 ARG 10 1HG ARG 10 10.148 6.952 -5.322 45 HG3 ARG 10 2HG ARG 10 10.294 5.203 -5.502 46 HD2 ARG 10 1HD ARG 10 8.016 5.262 -6.603 47 HD3 ARG 10 2HD ARG 10 8.180 7.017 -6.640 48 HE ARG 10 HE ARG 10 9.670 6.809 -8.368 49 HH11 ARG 10 2HH1 ARG 10 9.233 3.707 -6.849 50 HH12 ARG 10 1HH1 ARG 10 10.123 2.843 -8.059 51 HH21 ARG 10 2HH2 ARG 10 10.843 5.683 -9.967 52 HH22 ARG 10 1HH2 ARG 10 11.039 3.968 -9.832 53 HA PRO 11 HA PRO 11 10.434 1.300 -2.163 54 HB2 PRO 11 1HB PRO 11 8.179 0.182 -1.144 55 HB3 PRO 11 2HB PRO 11 9.353 1.053 -0.150 56 HG2 PRO 11 1HG PRO 11 6.751 2.007 -1.281 57 HG3 PRO 11 2HG PRO 11 7.431 2.267 0.336 58 HD2 PRO 11 1HD PRO 11 7.538 4.148 -1.608 59 HD3 PRO 11 2HD PRO 11 8.807 3.972 -0.378 60 H THR 12 H THR 12 10.009 -0.630 -3.301 61 HA THR 12 HA THR 12 8.405 -0.239 -5.699 62 HB THR 12 HB THR 12 10.203 -2.568 -5.006 63 HG1 THR 12 1HG THR 12 10.722 -0.023 -6.040 64 HG21 THR 12 1HG2 THR 12 8.319 -2.371 -6.991 65 HG22 THR 12 2HG2 THR 12 9.736 -3.420 -7.031 66 HG23 THR 12 3HG2 THR 12 9.787 -1.838 -7.808 67 H MET 13 H MET 13 6.285 -0.569 -5.204 68 HA MET 13 HA MET 13 5.527 -2.973 -3.727 69 HB2 MET 13 1HB MET 13 4.520 -0.729 -3.194 70 HB3 MET 13 2HB MET 13 3.731 -0.777 -4.764 71 HG2 MET 13 1HG MET 13 2.354 -2.557 -4.151 72 HG3 MET 13 2HG MET 13 3.363 -2.977 -2.769 73 HE1 MET 13 1HE MET 13 0.993 0.969 -2.860 74 HE2 MET 13 2HE MET 13 2.332 0.531 -3.920 75 HE3 MET 13 3HE MET 13 0.751 -0.221 -4.139 76 H MET 14 H MET 14 4.312 -4.624 -4.580 77 HA MET 14 HA MET 14 3.625 -4.474 -7.430 78 HB2 MET 14 1HB MET 14 5.013 -6.826 -6.134 79 HB3 MET 14 2HB MET 14 4.510 -6.713 -7.816 80 HG2 MET 14 1HG MET 14 6.060 -4.759 -8.049 81 HG3 MET 14 2HG MET 14 6.662 -5.136 -6.436 82 HE1 MET 14 1HE MET 14 8.524 -5.903 -6.150 83 HE2 MET 14 2HE MET 14 8.666 -7.657 -6.268 84 HE3 MET 14 3HE MET 14 9.620 -6.621 -7.331 85 H ILE 15 H ILE 15 1.469 -4.601 -7.382 86 HA ILE 15 HA ILE 15 0.157 -6.386 -5.479 87 HB ILE 15 HB ILE 15 -1.068 -4.409 -7.406 88 HG12 ILE 15 1HG1 ILE 15 -1.039 -4.022 -4.446 89 HG13 ILE 15 2HG1 ILE 15 0.435 -3.676 -5.343 90 HG21 ILE 15 1HG2 ILE 15 -2.457 -5.515 -5.009 91 HG22 ILE 15 2HG2 ILE 15 -3.133 -4.875 -6.506 92 HG23 ILE 15 3HG2 ILE 15 -2.386 -6.472 -6.489 93 HD11 ILE 15 1HD1 ILE 15 -1.941 -2.102 -5.065 94 HD12 ILE 15 2HD1 ILE 15 -0.383 -1.669 -5.770 95 HD13 ILE 15 3HD1 ILE 15 -1.621 -2.433 -6.767 96 H SER 16 H SER 16 -0.755 -8.268 -6.024 97 HA SER 16 HA SER 16 -1.309 -8.834 -8.844 98 HB2 SER 16 1HB SER 16 0.423 -10.508 -7.021 99 HB3 SER 16 2HB SER 16 -0.303 -11.142 -8.498 100 HG SER 16 HG SER 16 1.088 -10.050 -9.657 101 H THR 17 H THR 17 -3.028 -10.183 -9.203 102 HA THR 17 HA THR 17 -4.571 -10.938 -6.814 103 HB THR 17 HB THR 17 -6.564 -10.881 -8.202 104 HG1 THR 17 1HG THR 17 -5.540 -11.517 -10.186 105 HG21 THR 17 1HG2 THR 17 -5.443 -8.338 -9.109 106 HG22 THR 17 2HG2 THR 17 -5.118 -8.685 -7.410 107 HG23 THR 17 3HG2 THR 17 -6.779 -8.656 -8.003 108 H THR 18 H THR 18 -4.712 -13.022 -6.340 109 HA THR 18 HA THR 18 -4.340 -14.988 -8.506 110 HB THR 18 HB THR 18 -2.505 -15.500 -7.256 111 HG1 THR 18 1HG THR 18 -3.413 -17.421 -6.945 112 HG21 THR 18 1HG2 THR 18 -2.278 -15.136 -4.853 113 HG22 THR 18 2HG2 THR 18 -3.973 -14.656 -4.754 114 HG23 THR 18 3HG2 THR 18 -2.826 -13.664 -5.654 115 H ALA 19 H ALA 19 -5.897 -14.422 -5.362 116 HA ALA 19 HA ALA 19 -7.804 -16.570 -5.915 117 HB1 ALA 19 1HB ALA 19 -7.759 -16.900 -3.723 118 HB2 ALA 19 2HB ALA 19 -6.604 -15.576 -3.561 119 HB3 ALA 19 3HB ALA 19 -8.334 -15.256 -3.440 120 H MET 20 H MET 20 -10.110 -15.971 -4.979 121 HA MET 20 HA MET 20 -11.067 -13.825 -6.656 122 HB2 MET 20 1HB MET 20 -12.600 -15.651 -4.799 123 HB3 MET 20 2HB MET 20 -13.297 -14.599 -6.024 124 HG2 MET 20 1HG MET 20 -13.318 -16.645 -7.068 125 HG3 MET 20 2HG MET 20 -11.819 -15.938 -7.667 126 HE1 MET 20 1HE MET 20 -13.045 -17.573 -4.452 127 HE2 MET 20 2HE MET 20 -13.311 -18.989 -5.470 128 HE3 MET 20 3HE MET 20 -12.034 -19.005 -4.253 129 H ASN 21 H ASN 21 -11.436 -11.805 -6.026 130 HA ASN 21 HA ASN 21 -11.722 -9.962 -4.727 131 HB2 ASN 21 1HB ASN 21 -12.807 -11.633 -2.492 132 HB3 ASN 21 2HB ASN 21 -13.342 -10.057 -3.068 133 HD21 ASN 21 1HD2 ASN 21 -15.083 -9.994 -4.298 134 HD22 ASN 21 2HD2 ASN 21 -15.798 -11.343 -5.107 135 H THR 22 H THR 22 -9.212 -11.176 -4.636 136 HA THR 22 HA THR 22 -8.309 -10.272 -2.009 137 HB THR 22 HB THR 22 -6.934 -12.177 -1.577 138 HG1 THR 22 1HG THR 22 -6.363 -13.516 -3.119 139 HG21 THR 22 1HG2 THR 22 -9.464 -13.501 -2.468 140 HG22 THR 22 2HG2 THR 22 -9.517 -12.273 -1.203 141 HG23 THR 22 3HG2 THR 22 -8.545 -13.727 -0.981 142 H ALA 23 H ALA 23 -6.567 -9.011 -2.167 143 HA ALA 23 HA ALA 23 -5.032 -9.083 -4.682 144 HB1 ALA 23 1HB ALA 23 -5.819 -6.800 -2.907 145 HB2 ALA 23 2HB ALA 23 -4.453 -6.670 -4.014 146 HB3 ALA 23 3HB ALA 23 -6.068 -6.997 -4.642 147 H LEU 24 H LEU 24 -3.118 -10.016 -4.416 148 HA LEU 24 HA LEU 24 -1.859 -10.214 -1.841 149 HB2 LEU 24 1HB LEU 24 -1.679 -12.058 -3.369 150 HB3 LEU 24 2HB LEU 24 -0.970 -11.020 -4.604 151 HG LEU 24 HG LEU 24 1.068 -10.821 -3.350 152 HD11 LEU 24 1HD1 LEU 24 1.140 -12.421 -1.241 153 HD12 LEU 24 2HD1 LEU 24 -0.573 -12.007 -1.181 154 HD13 LEU 24 3HD1 LEU 24 0.644 -10.732 -1.117 155 HD21 LEU 24 1HD2 LEU 24 0.184 -13.704 -3.344 156 HD22 LEU 24 2HD2 LEU 24 1.842 -13.106 -3.407 157 HD23 LEU 24 3HD2 LEU 24 0.749 -12.824 -4.764 158 H LEU 25 H LEU 25 -0.652 -8.685 -0.958 159 HA LEU 25 HA LEU 25 0.562 -6.645 -2.671 160 HB2 LEU 25 1HB LEU 25 0.346 -6.682 0.332 161 HB3 LEU 25 2HB LEU 25 0.790 -5.313 -0.686 162 HG LEU 25 HG LEU 25 -1.923 -6.609 -0.813 163 HD11 LEU 25 1HD1 LEU 25 -0.806 -4.760 1.188 164 HD12 LEU 25 2HD1 LEU 25 -2.168 -5.874 1.300 165 HD13 LEU 25 3HD1 LEU 25 -2.372 -4.310 0.512 166 HD21 LEU 25 1HD2 LEU 25 -2.238 -4.017 -1.473 167 HD22 LEU 25 2HD2 LEU 25 -1.908 -5.294 -2.644 168 HD23 LEU 25 3HD2 LEU 25 -0.591 -4.286 -2.043 169 H GLN 26 H GLN 26 2.673 -6.608 -3.070 170 HA GLN 26 HA GLN 26 4.536 -7.814 -1.175 171 HB2 GLN 26 1HB GLN 26 4.484 -8.542 -4.108 172 HB3 GLN 26 2HB GLN 26 5.688 -9.068 -2.940 173 HG2 GLN 26 1HG GLN 26 3.640 -10.031 -1.664 174 HG3 GLN 26 2HG GLN 26 2.841 -9.905 -3.230 175 HE21 GLN 26 1HE2 GLN 26 3.162 -12.333 -2.023 176 HE22 GLN 26 2HE2 GLN 26 4.308 -13.278 -2.905 177 H TRP 27 H TRP 27 5.984 -6.298 -0.751 178 HA TRP 27 HA TRP 27 7.017 -4.675 -2.977 179 HB2 TRP 27 1HB TRP 27 7.100 -2.714 -1.479 180 HB3 TRP 27 2HB TRP 27 5.452 -3.285 -1.726 181 HD1 TRP 27 HD TRP 27 8.191 -3.134 0.960 182 HE1 TRP 27 1HE TRP 27 7.094 -3.485 3.262 183 HE3 TRP 27 3HE TRP 27 3.452 -4.296 -0.567 184 HZ2 TRP 27 2HZ TRP 27 4.557 -4.165 4.294 185 HZ3 TRP 27 3HZ TRP 27 1.749 -4.784 1.140 186 HH2 TRP 27 HH TRP 27 2.292 -4.720 3.520 187 H HIS 28 H HIS 28 9.102 -3.547 -2.337 188 HA HIS 28 HA HIS 28 10.666 -5.148 -0.436 189 HB2 HIS 28 1HB HIS 28 11.236 -4.670 -3.339 190 HB3 HIS 28 2HB HIS 28 12.575 -4.855 -2.210 191 HD1 HIS 28 1HD HIS 28 12.429 -7.179 -0.743 192 HD2 HIS 28 2HD HIS 28 10.296 -7.018 -4.305 193 HE1 HIS 28 1HE HIS 28 11.953 -9.572 -1.350 194 HE2 HIS 28 2HE HIS 28 10.736 -9.453 -3.552 195 HA PRO 29 HA PRO 29 12.333 -1.346 0.981 196 HB2 PRO 29 1HB PRO 29 14.886 -2.039 1.593 197 HB3 PRO 29 2HB PRO 29 13.494 -2.559 2.550 198 HG2 PRO 29 1HG PRO 29 15.018 -4.059 0.455 199 HG3 PRO 29 2HG PRO 29 14.419 -4.626 2.025 200 HD2 PRO 29 1HD PRO 29 13.137 -5.155 -0.301 201 HD3 PRO 29 2HD PRO 29 12.276 -4.938 1.236 202 HA PRO 30 HA PRO 30 14.224 0.572 -2.542 203 HB2 PRO 30 1HB PRO 30 14.662 3.004 -1.417 204 HB3 PRO 30 2HB PRO 30 13.062 2.459 -1.936 205 HG2 PRO 30 1HG PRO 30 14.260 2.474 0.808 206 HG3 PRO 30 2HG PRO 30 12.624 2.932 0.299 207 HD2 PRO 30 1HD PRO 30 13.183 0.532 1.422 208 HD3 PRO 30 2HD PRO 30 11.905 0.744 0.208 209 H LYS 31 H LYS 31 16.240 1.791 -3.060 210 HA LYS 31 HA LYS 31 18.459 0.791 -1.411 211 HB2 LYS 31 1HB LYS 31 18.485 -0.029 -3.696 212 HB3 LYS 31 2HB LYS 31 18.377 1.612 -4.319 213 HG2 LYS 31 1HG LYS 31 20.608 1.241 -4.562 214 HG3 LYS 31 2HG LYS 31 20.593 1.926 -2.935 215 HD2 LYS 31 1HD LYS 31 20.272 -1.015 -3.203 216 HD3 LYS 31 2HD LYS 31 21.871 -0.332 -3.506 217 HE2 LYS 31 1HE LYS 31 20.410 0.546 -1.071 218 HE3 LYS 31 2HE LYS 31 21.096 -1.079 -1.084 219 HZ1 LYS 31 1HZ LYS 31 22.539 0.805 -0.209 220 HZ2 LYS 31 2HZ LYS 31 22.714 1.281 -1.822 221 HZ3 LYS 31 3HZ LYS 31 23.243 -0.249 -1.330 222 H GLU 32 H GLU 32 16.982 3.654 -2.701 223 HA GLU 32 HA GLU 32 19.236 5.351 -2.030 224 HB2 GLU 32 1HB GLU 32 16.458 6.080 -2.974 225 HB3 GLU 32 2HB GLU 32 17.816 7.187 -2.832 226 HG2 GLU 32 1HG GLU 32 18.984 5.499 -4.444 227 HG3 GLU 32 2HG GLU 32 17.328 5.033 -4.828 228 H LEU 33 H LEU 33 18.033 3.840 0.116 229 HA LEU 33 HA LEU 33 16.653 5.874 1.701 230 HB2 LEU 33 1HB LEU 33 15.626 3.713 1.724 231 HB3 LEU 33 2HB LEU 33 17.150 2.938 2.149 232 HG LEU 33 HG LEU 33 15.998 4.937 4.033 233 HD11 LEU 33 1HD1 LEU 33 14.069 3.829 4.178 234 HD12 LEU 33 2HD1 LEU 33 15.003 2.538 4.934 235 HD13 LEU 33 3HD1 LEU 33 14.667 2.486 3.204 236 HD21 LEU 33 1HD2 LEU 33 16.902 3.020 5.574 237 HD22 LEU 33 2HD2 LEU 33 18.011 4.166 4.821 238 HD23 LEU 33 3HD2 LEU 33 17.794 2.559 4.124 239 HA PRO 34 HA PRO 34 20.681 6.803 3.458 240 HB2 PRO 34 1HB PRO 34 19.825 8.963 4.863 241 HB3 PRO 34 2HB PRO 34 20.169 9.019 3.131 242 HG2 PRO 34 1HG PRO 34 17.537 8.754 4.531 243 HG3 PRO 34 2HG PRO 34 17.963 9.753 3.130 244 HD2 PRO 34 1HD PRO 34 16.664 7.389 2.892 245 HD3 PRO 34 2HD PRO 34 17.793 7.986 1.660 246 H GLY 35 H GLY 35 20.881 5.010 4.828 247 HA2 GLY 35 1HA GLY 35 21.291 4.897 7.309 248 HA3 GLY 35 2HA GLY 35 19.587 5.295 7.469 249 H GLU 36 H GLU 36 18.501 3.573 8.137 250 HA GLU 36 HA GLU 36 18.867 1.047 6.705 251 HB2 GLU 36 1HB GLU 36 20.103 0.377 8.505 252 HB3 GLU 36 2HB GLU 36 19.338 1.524 9.595 253 HG2 GLU 36 1HG GLU 36 17.505 0.131 9.968 254 HG3 GLU 36 2HG GLU 36 17.858 -0.862 8.555 255 H LEU 37 H LEU 37 17.042 -0.293 6.666 256 HA LEU 37 HA LEU 37 14.550 1.071 6.791 257 HB2 LEU 37 1HB LEU 37 15.123 -0.736 5.176 258 HB3 LEU 37 2HB LEU 37 15.042 -1.889 6.507 259 HG LEU 37 HG LEU 37 12.606 -0.921 6.761 260 HD11 LEU 37 1HD1 LEU 37 13.253 0.700 4.797 261 HD12 LEU 37 2HD1 LEU 37 11.633 0.015 4.915 262 HD13 LEU 37 3HD1 LEU 37 12.807 -0.686 3.801 263 HD21 LEU 37 1HD2 LEU 37 13.290 -3.256 6.231 264 HD22 LEU 37 2HD2 LEU 37 13.296 -2.818 4.523 265 HD23 LEU 37 3HD2 LEU 37 11.794 -2.751 5.445 266 H LEU 38 H LEU 38 13.106 1.203 8.387 267 HA LEU 38 HA LEU 38 13.441 -0.575 10.713 268 HB2 LEU 38 1HB LEU 38 12.493 2.285 10.754 269 HB3 LEU 38 2HB LEU 38 12.737 1.238 12.150 270 HG LEU 38 HG LEU 38 14.965 2.113 10.319 271 HD11 LEU 38 1HD1 LEU 38 13.686 3.467 12.625 272 HD12 LEU 38 2HD1 LEU 38 14.468 4.148 11.199 273 HD13 LEU 38 3HD1 LEU 38 15.446 3.511 12.521 274 HD21 LEU 38 1HD2 LEU 38 16.042 0.509 11.431 275 HD22 LEU 38 2HD2 LEU 38 14.734 0.324 12.600 276 HD23 LEU 38 3HD2 LEU 38 15.956 1.575 12.833 277 H GLY 39 H GLY 39 11.277 0.952 8.464 278 HA2 GLY 39 1HA GLY 39 9.258 -0.923 8.673 279 HA3 GLY 39 2HA GLY 39 8.850 0.338 9.827 280 H TYR 40 H TYR 40 7.002 0.076 8.046 281 HA TYR 40 HA TYR 40 7.130 2.503 6.513 282 HB2 TYR 40 1HB TYR 40 6.319 0.994 4.440 283 HB3 TYR 40 2HB TYR 40 7.999 1.453 4.690 284 HD1 TYR 40 1HD TYR 40 6.005 -1.122 6.491 285 HD2 TYR 40 2HD TYR 40 9.206 -0.338 3.800 286 HE1 TYR 40 1HE TYR 40 6.638 -3.497 6.562 287 HE2 TYR 40 2HE TYR 40 9.847 -2.712 3.863 288 HH TYR 40 HH TYR 40 8.500 -4.969 4.389 289 H ARG 41 H ARG 41 5.075 3.134 5.658 290 HA ARG 41 HA ARG 41 2.839 1.752 6.980 291 HB2 ARG 41 1HB ARG 41 3.017 3.975 7.805 292 HB3 ARG 41 2HB ARG 41 3.238 4.632 6.189 293 HG2 ARG 41 1HG ARG 41 0.872 3.740 5.728 294 HG3 ARG 41 2HG ARG 41 0.735 3.631 7.484 295 HD2 ARG 41 1HD ARG 41 1.697 6.163 6.226 296 HD3 ARG 41 2HD ARG 41 -0.027 5.793 6.232 297 HE ARG 41 HE ARG 41 0.656 5.433 8.810 298 HH11 ARG 41 2HH1 ARG 41 1.224 8.031 6.563 299 HH12 ARG 41 1HH1 ARG 41 1.235 9.260 7.784 300 HH21 ARG 41 2HH2 ARG 41 0.668 7.042 10.427 301 HH22 ARG 41 1HH2 ARG 41 0.919 8.696 9.982 302 H LEU 42 H LEU 42 0.879 1.450 5.860 303 HA LEU 42 HA LEU 42 1.102 1.643 2.928 304 HB2 LEU 42 1HB LEU 42 1.175 -0.680 4.114 305 HB3 LEU 42 2HB LEU 42 -0.565 -0.444 4.269 306 HG LEU 42 HG LEU 42 1.043 -0.695 1.734 307 HD11 LEU 42 1HD1 LEU 42 -1.232 -2.318 2.866 308 HD12 LEU 42 2HD1 LEU 42 0.468 -2.786 2.864 309 HD13 LEU 42 3HD1 LEU 42 -0.401 -2.613 1.339 310 HD21 LEU 42 1HD2 LEU 42 -1.432 -0.586 0.805 311 HD22 LEU 42 2HD2 LEU 42 -0.451 0.866 1.005 312 HD23 LEU 42 3HD2 LEU 42 -1.658 0.443 2.220 313 H GLN 43 H GLN 43 -0.522 2.618 1.874 314 HA GLN 43 HA GLN 43 -3.060 3.055 3.283 315 HB2 GLN 43 1HB GLN 43 -1.292 5.132 2.021 316 HB3 GLN 43 2HB GLN 43 -3.025 5.390 2.173 317 HG2 GLN 43 1HG GLN 43 -2.931 5.349 4.523 318 HG3 GLN 43 2HG GLN 43 -1.297 4.687 4.522 319 HE21 GLN 43 1HE2 GLN 43 -2.990 7.380 5.120 320 HE22 GLN 43 2HE2 GLN 43 -1.795 8.582 4.788 321 H TYR 44 H TYR 44 -4.629 2.217 2.094 322 HA TYR 44 HA TYR 44 -4.627 2.670 -0.798 323 HB2 TYR 44 1HB TYR 44 -5.195 0.358 -1.278 324 HB3 TYR 44 2HB TYR 44 -3.665 0.419 -0.411 325 HD1 TYR 44 1HD TYR 44 -7.308 -0.150 0.092 326 HD2 TYR 44 2HD TYR 44 -3.365 -0.836 1.537 327 HE1 TYR 44 1HE TYR 44 -8.200 -1.721 1.761 328 HE2 TYR 44 2HE TYR 44 -4.246 -2.410 3.209 329 HH TYR 44 HH TYR 44 -7.056 -3.846 3.084 330 H CYS 45 H CYS 45 -6.589 3.147 -1.608 331 HA CYS 45 HA CYS 45 -9.007 2.399 -0.192 332 HB2 CYS 45 1HB CYS 45 -9.799 4.831 -0.267 333 HB3 CYS 45 2HB CYS 45 -8.633 4.410 0.982 334 HG CYS 45 HG CYS 45 -8.442 6.923 -0.876 335 H ARG 46 H ARG 46 -10.979 3.259 -1.413 336 HA ARG 46 HA ARG 46 -10.832 2.382 -4.083 337 HB2 ARG 46 1HB ARG 46 -12.927 3.780 -2.455 338 HB3 ARG 46 2HB ARG 46 -13.161 3.556 -4.183 339 HG2 ARG 46 1HG ARG 46 -12.548 1.061 -3.594 340 HG3 ARG 46 2HG ARG 46 -13.115 1.550 -1.996 341 HD2 ARG 46 1HD ARG 46 -15.156 2.495 -3.283 342 HD3 ARG 46 2HD ARG 46 -14.614 1.437 -4.585 343 HE ARG 46 HE ARG 46 -15.377 -0.360 -3.392 344 HH11 ARG 46 2HH1 ARG 46 -15.139 2.394 -1.276 345 HH12 ARG 46 1HH1 ARG 46 -15.920 1.604 0.054 346 HH21 ARG 46 2HH2 ARG 46 -16.406 -1.411 -1.648 347 HH22 ARG 46 1HH2 ARG 46 -16.639 -0.560 -0.159 348 H ALA 47 H ALA 47 -11.436 3.645 -6.008 349 HA ALA 47 HA ALA 47 -9.789 5.973 -6.237 350 HB1 ALA 47 1HB ALA 47 -11.420 4.322 -8.084 351 HB2 ALA 47 2HB ALA 47 -11.031 5.969 -8.582 352 HB3 ALA 47 3HB ALA 47 -9.736 4.833 -8.205 353 H ASP 48 H ASP 48 -12.668 5.682 -4.821 354 HA ASP 48 HA ASP 48 -13.560 8.351 -5.695 355 HB2 ASP 48 1HB ASP 48 -15.042 6.268 -6.234 356 HB3 ASP 48 2HB ASP 48 -15.463 6.349 -4.525 357 H GLU 49 H GLU 49 -12.265 6.577 -3.213 358 HA GLU 49 HA GLU 49 -13.631 7.895 -1.032 359 HB2 GLU 49 1HB GLU 49 -11.502 5.829 -1.288 360 HB3 GLU 49 2HB GLU 49 -11.560 6.760 0.203 361 HG2 GLU 49 1HG GLU 49 -13.918 6.094 0.488 362 HG3 GLU 49 2HG GLU 49 -13.780 5.091 -0.955 363 H ALA 50 H ALA 50 -12.499 9.196 0.563 364 HA ALA 50 HA ALA 50 -10.359 10.816 -0.657 365 HB1 ALA 50 1HB ALA 50 -11.429 12.694 -0.096 366 HB2 ALA 50 2HB ALA 50 -12.845 11.669 0.140 367 HB3 ALA 50 3HB ALA 50 -11.825 12.092 1.514 368 H ARG 51 H ARG 51 -11.292 8.872 2.009 369 HA ARG 51 HA ARG 51 -8.905 9.720 3.513 370 HB2 ARG 51 1HB ARG 51 -11.476 8.447 4.452 371 HB3 ARG 51 2HB ARG 51 -10.048 8.596 5.468 372 HG2 ARG 51 1HG ARG 51 -10.192 10.931 5.526 373 HG3 ARG 51 2HG ARG 51 -11.302 10.981 4.155 374 HD2 ARG 51 1HD ARG 51 -12.141 9.500 6.592 375 HD3 ARG 51 2HD ARG 51 -12.145 11.262 6.648 376 HE ARG 51 HE ARG 51 -13.457 10.497 4.317 377 HH11 ARG 51 2HH1 ARG 51 -13.876 10.213 7.762 378 HH12 ARG 51 1HH1 ARG 51 -15.606 10.170 7.679 379 HH21 ARG 51 2HH2 ARG 51 -15.734 10.441 4.195 380 HH22 ARG 51 1HH2 ARG 51 -16.662 10.298 5.650 381 HA PRO 52 HA PRO 52 -7.511 5.685 2.035 382 HB2 PRO 52 1HB PRO 52 -4.900 6.130 2.633 383 HB3 PRO 52 2HB PRO 52 -5.670 6.753 1.169 384 HG2 PRO 52 1HG PRO 52 -5.103 8.153 3.754 385 HG3 PRO 52 2HG PRO 52 -4.891 8.739 2.094 386 HD2 PRO 52 1HD PRO 52 -7.016 9.431 3.622 387 HD3 PRO 52 2HD PRO 52 -7.123 9.261 1.858 388 H ASN 53 H ASN 53 -7.129 3.811 3.117 389 HA ASN 53 HA ASN 53 -7.365 3.838 5.978 390 HB2 ASN 53 1HB ASN 53 -7.005 1.589 3.990 391 HB3 ASN 53 2HB ASN 53 -7.206 1.337 5.721 392 HD21 ASN 53 1HD2 ASN 53 -8.780 1.381 2.859 393 HD22 ASN 53 2HD2 ASN 53 -10.387 1.695 3.409 394 H THR 54 H THR 54 -5.580 4.617 6.982 395 HA THR 54 HA THR 54 -2.916 4.005 6.175 396 HB THR 54 HB THR 54 -3.889 5.110 8.818 397 HG1 THR 54 1HG THR 54 -4.184 6.237 6.581 398 HG21 THR 54 1HG2 THR 54 -1.699 4.443 9.230 399 HG22 THR 54 2HG2 THR 54 -1.498 6.117 8.711 400 HG23 THR 54 3HG2 THR 54 -1.176 4.799 7.585 401 H ILE 55 H ILE 55 -1.612 2.377 6.754 402 HA ILE 55 HA ILE 55 -2.345 0.707 9.051 403 HB ILE 55 HB ILE 55 -1.612 -0.406 6.340 404 HG12 ILE 55 1HG1 ILE 55 -4.229 -0.652 7.830 405 HG13 ILE 55 2HG1 ILE 55 -3.941 0.535 6.564 406 HG21 ILE 55 1HG2 ILE 55 -1.775 -1.564 9.045 407 HG22 ILE 55 2HG2 ILE 55 -2.522 -2.506 7.755 408 HG23 ILE 55 3HG2 ILE 55 -0.818 -2.062 7.650 409 HD11 ILE 55 1HD1 ILE 55 -3.925 -2.457 6.283 410 HD12 ILE 55 2HD1 ILE 55 -5.106 -1.323 5.626 411 HD13 ILE 55 3HD1 ILE 55 -3.454 -1.334 5.008 412 H ASP 56 H ASP 56 -0.638 -0.211 10.138 413 HA ASP 56 HA ASP 56 1.998 0.841 9.438 414 HB2 ASP 56 1HB ASP 56 0.838 0.955 11.793 415 HB3 ASP 56 2HB ASP 56 1.448 -0.690 11.953 416 H PHE 57 H PHE 57 3.792 -0.432 9.108 417 HA PHE 57 HA PHE 57 3.477 -3.336 9.185 418 HB2 PHE 57 1HB PHE 57 4.048 -1.704 6.731 419 HB3 PHE 57 2HB PHE 57 4.672 -3.344 6.872 420 HD1 PHE 57 1HD PHE 57 2.898 -5.157 7.527 421 HD2 PHE 57 2HD PHE 57 1.968 -1.375 5.810 422 HE1 PHE 57 1HE PHE 57 0.739 -6.045 6.749 423 HE2 PHE 57 2HE PHE 57 -0.193 -2.256 5.030 424 HZ PHE 57 HZ PHE 57 -0.810 -4.594 5.500 425 H GLY 58 H GLY 58 5.305 -4.408 9.741 426 HA2 GLY 58 1HA GLY 58 7.571 -2.795 10.564 427 HA3 GLY 58 2HA GLY 58 7.336 -4.507 10.881 428 H LYS 59 H LYS 59 9.747 -3.216 9.985 429 HA LYS 59 HA LYS 59 10.368 -3.263 7.345 430 HB2 LYS 59 1HB LYS 59 12.646 -3.970 7.985 431 HB3 LYS 59 2HB LYS 59 12.012 -2.719 9.048 432 HG2 LYS 59 1HG LYS 59 11.484 -4.405 10.729 433 HG3 LYS 59 2HG LYS 59 12.104 -5.667 9.661 434 HD2 LYS 59 1HD LYS 59 14.319 -4.742 9.763 435 HD3 LYS 59 2HD LYS 59 13.738 -3.337 10.661 436 HE2 LYS 59 1HE LYS 59 14.734 -4.773 12.253 437 HE3 LYS 59 2HE LYS 59 12.991 -4.949 12.455 438 HZ1 LYS 59 1HZ LYS 59 14.117 -7.088 12.493 439 HZ2 LYS 59 2HZ LYS 59 14.747 -6.812 10.948 440 HZ3 LYS 59 3HZ LYS 59 13.077 -6.984 11.162 441 H ASP 60 H ASP 60 9.619 -6.004 9.354 442 HA ASP 60 HA ASP 60 10.585 -7.981 7.516 443 HB2 ASP 60 1HB ASP 60 10.452 -8.539 9.864 444 HB3 ASP 60 2HB ASP 60 8.728 -8.179 9.894 445 H ASP 61 H ASP 61 7.492 -6.441 8.176 446 HA ASP 61 HA ASP 61 5.905 -8.139 6.565 447 HB2 ASP 61 1HB ASP 61 5.568 -5.430 7.774 448 HB3 ASP 61 2HB ASP 61 4.439 -5.931 6.518 449 H GLN 62 H GLN 62 6.927 -8.451 4.587 450 HA GLN 62 HA GLN 62 7.328 -6.101 2.886 451 HB2 GLN 62 1HB GLN 62 8.124 -8.982 2.432 452 HB3 GLN 62 2HB GLN 62 8.535 -7.628 1.389 453 HG2 GLN 62 1HG GLN 62 9.752 -6.612 3.314 454 HG3 GLN 62 2HG GLN 62 9.464 -8.104 4.208 455 HE21 GLN 62 1HE2 GLN 62 10.726 -7.012 1.078 456 HE22 GLN 62 2HE2 GLN 62 12.034 -8.138 1.018 457 H HIS 63 H HIS 63 4.935 -8.262 3.577 458 HA HIS 63 HA HIS 63 3.487 -7.590 1.169 459 HB2 HIS 63 1HB HIS 63 2.872 -10.097 0.889 460 HB3 HIS 63 2HB HIS 63 4.400 -9.520 0.231 461 HD1 HIS 63 1HD HIS 63 6.313 -10.979 0.762 462 HD2 HIS 63 2HD HIS 63 3.344 -11.225 3.658 463 HE1 HIS 63 1HE HIS 63 7.122 -12.697 2.411 464 HE2 HIS 63 2HE HIS 63 5.271 -12.890 4.108 465 H PHE 64 H PHE 64 1.219 -8.049 1.321 466 HA PHE 64 HA PHE 64 0.257 -8.876 3.960 467 HB2 PHE 64 1HB PHE 64 0.452 -6.377 3.908 468 HB3 PHE 64 2HB PHE 64 -0.712 -6.363 2.587 469 HD1 PHE 64 2HD PHE 64 -0.425 -7.934 5.965 470 HD2 PHE 64 1HD PHE 64 -2.848 -5.813 3.181 471 HE1 PHE 64 2HE PHE 64 -2.266 -7.905 7.596 472 HE2 PHE 64 1HE PHE 64 -4.693 -5.779 4.809 473 HZ PHE 64 HZ PHE 64 -4.404 -6.827 7.019 474 H THR 65 H THR 65 -1.642 -9.977 3.935 475 HA THR 65 HA THR 65 -2.718 -10.642 1.301 476 HB THR 65 HB THR 65 -3.379 -11.915 3.962 477 HG1 THR 65 1HG THR 65 -1.087 -12.006 2.917 478 HG21 THR 65 1HG2 THR 65 -4.721 -12.116 1.591 479 HG22 THR 65 2HG2 THR 65 -4.702 -13.354 2.847 480 HG23 THR 65 3HG2 THR 65 -3.591 -13.466 1.482 481 H VAL 66 H VAL 66 -4.267 -9.302 0.618 482 HA VAL 66 HA VAL 66 -6.240 -8.300 2.549 483 HB VAL 66 HB VAL 66 -5.655 -7.361 -0.263 484 HG11 VAL 66 1HG1 VAL 66 -7.372 -5.888 -0.126 485 HG12 VAL 66 2HG1 VAL 66 -8.036 -7.134 0.933 486 HG13 VAL 66 3HG1 VAL 66 -7.236 -5.722 1.624 487 HG21 VAL 66 1HG2 VAL 66 -4.365 -6.819 2.215 488 HG22 VAL 66 2HG2 VAL 66 -4.032 -6.132 0.625 489 HG23 VAL 66 3HG2 VAL 66 -5.205 -5.360 1.691 490 H THR 67 H THR 67 -8.210 -9.145 2.590 491 HA THR 67 HA THR 67 -9.249 -10.445 0.162 492 HB THR 67 HB THR 67 -10.258 -12.213 1.491 493 HG1 THR 67 1HG THR 67 -10.547 -11.793 3.540 494 HG21 THR 67 1HG2 THR 67 -7.953 -12.524 0.641 495 HG22 THR 67 2HG2 THR 67 -8.262 -13.434 2.120 496 HG23 THR 67 3HG2 THR 67 -7.332 -11.937 2.183 497 H GLY 68 H GLY 68 -11.490 -10.341 -0.150 498 HA2 GLY 68 1HA GLY 68 -13.705 -9.764 0.543 499 HA3 GLY 68 2HA GLY 68 -13.011 -8.714 1.769 500 H LEU 69 H LEU 69 -11.329 -8.322 -1.079 501 HA LEU 69 HA LEU 69 -12.209 -5.673 -1.458 502 HB2 LEU 69 1HB LEU 69 -10.639 -7.515 -3.250 503 HB3 LEU 69 2HB LEU 69 -10.901 -5.805 -3.585 504 HG LEU 69 HG LEU 69 -9.579 -6.700 -1.045 505 HD11 LEU 69 1HD1 LEU 69 -7.666 -5.822 -2.964 506 HD12 LEU 69 2HD1 LEU 69 -8.573 -7.175 -3.639 507 HD13 LEU 69 3HD1 LEU 69 -7.742 -7.354 -2.094 508 HD21 LEU 69 1HD2 LEU 69 -10.224 -4.423 -1.020 509 HD22 LEU 69 2HD2 LEU 69 -9.642 -4.165 -2.665 510 HD23 LEU 69 3HD2 LEU 69 -8.493 -4.444 -1.356 511 H HIS 70 H HIS 70 -13.786 -4.811 -2.662 512 HA HIS 70 HA HIS 70 -15.806 -6.454 -3.775 513 HB2 HIS 70 1HB HIS 70 -15.277 -3.504 -3.726 514 HB3 HIS 70 2HB HIS 70 -16.547 -4.144 -4.765 515 HD1 HIS 70 1HD HIS 70 -18.313 -2.891 -3.304 516 HD2 HIS 70 2HD HIS 70 -16.156 -5.818 -1.293 517 HE1 HIS 70 1HE HIS 70 -19.565 -3.296 -1.161 518 HE2 HIS 70 2HE HIS 70 -18.195 -5.009 0.077 519 H LYS 71 H LYS 71 -15.909 -7.383 -5.703 520 HA LYS 71 HA LYS 71 -13.865 -7.132 -7.632 521 HB2 LYS 71 1HB LYS 71 -16.481 -8.533 -7.462 522 HB3 LYS 71 2HB LYS 71 -15.801 -8.300 -9.067 523 HG2 LYS 71 1HG LYS 71 -13.639 -9.276 -7.939 524 HG3 LYS 71 2HG LYS 71 -14.809 -9.955 -6.805 525 HD2 LYS 71 1HD LYS 71 -16.011 -10.991 -8.671 526 HD3 LYS 71 2HD LYS 71 -14.840 -10.311 -9.803 527 HE2 LYS 71 1HE LYS 71 -14.099 -12.163 -7.545 528 HE3 LYS 71 2HE LYS 71 -14.465 -12.717 -9.178 529 HZ1 LYS 71 1HZ LYS 71 -12.263 -12.462 -9.442 530 HZ2 LYS 71 2HZ LYS 71 -12.109 -11.360 -8.168 531 HZ3 LYS 71 3HZ LYS 71 -12.652 -10.833 -9.680 532 H GLY 72 H GLY 72 -14.050 -6.388 -9.837 533 HA2 GLY 72 1HA GLY 72 -14.514 -4.780 -11.407 534 HA3 GLY 72 2HA GLY 72 -16.176 -4.876 -10.845 535 H THR 73 H THR 73 -13.467 -3.928 -8.827 536 HA THR 73 HA THR 73 -14.404 -1.141 -8.909 537 HB THR 73 HB THR 73 -13.861 -2.783 -6.434 538 HG1 THR 73 1HG THR 73 -16.040 -2.504 -7.642 539 HG21 THR 73 1HG2 THR 73 -12.822 -0.772 -5.885 540 HG22 THR 73 2HG2 THR 73 -14.469 -0.535 -5.300 541 HG23 THR 73 3HG2 THR 73 -13.964 0.187 -6.827 542 H THR 74 H THR 74 -12.824 0.311 -9.129 543 HA THR 74 HA THR 74 -10.092 -0.584 -9.302 544 HB THR 74 HB THR 74 -11.128 2.247 -9.526 545 HG1 THR 74 1HG THR 74 -11.894 0.384 -11.036 546 HG21 THR 74 1HG2 THR 74 -9.081 2.844 -10.328 547 HG22 THR 74 2HG2 THR 74 -8.769 1.254 -11.025 548 HG23 THR 74 3HG2 THR 74 -8.571 1.511 -9.292 549 H TYR 75 H TYR 75 -8.370 0.023 -8.014 550 HA TYR 75 HA TYR 75 -8.977 1.542 -5.577 551 HB2 TYR 75 1HB TYR 75 -7.811 -1.218 -5.763 552 HB3 TYR 75 2HB TYR 75 -7.396 -0.167 -4.413 553 HD1 TYR 75 1HD TYR 75 -9.112 0.507 -2.790 554 HD2 TYR 75 2HD TYR 75 -10.000 -2.197 -5.953 555 HE1 TYR 75 1HE TYR 75 -11.175 -0.163 -1.630 556 HE2 TYR 75 2HE TYR 75 -12.066 -2.874 -4.802 557 HH TYR 75 HH TYR 75 -13.357 -2.599 -3.023 558 H ILE 76 H ILE 76 -6.983 2.238 -4.426 559 HA ILE 76 HA ILE 76 -4.670 2.516 -6.218 560 HB ILE 76 HB ILE 76 -5.749 4.800 -4.569 561 HG12 ILE 76 1HG1 ILE 76 -5.872 4.786 -7.553 562 HG13 ILE 76 2HG1 ILE 76 -7.104 3.896 -6.664 563 HG21 ILE 76 1HG2 ILE 76 -3.504 5.231 -4.880 564 HG22 ILE 76 2HG2 ILE 76 -3.464 4.445 -6.458 565 HG23 ILE 76 3HG2 ILE 76 -4.219 6.029 -6.281 566 HD11 ILE 76 1HD1 ILE 76 -7.554 6.010 -5.388 567 HD12 ILE 76 2HD1 ILE 76 -6.503 6.834 -6.541 568 HD13 ILE 76 3HD1 ILE 76 -7.977 6.044 -7.100 569 H PHE 77 H PHE 77 -3.230 1.299 -5.129 570 HA PHE 77 HA PHE 77 -3.032 1.472 -2.237 571 HB2 PHE 77 1HB PHE 77 -1.649 -0.221 -4.314 572 HB3 PHE 77 2HB PHE 77 -1.159 -0.225 -2.623 573 HD1 PHE 77 1HD PHE 77 -3.872 -1.049 -4.963 574 HD2 PHE 77 2HD PHE 77 -2.444 -1.345 -0.965 575 HE1 PHE 77 1HE PHE 77 -5.606 -2.725 -4.472 576 HE2 PHE 77 2HE PHE 77 -4.175 -3.021 -0.467 577 HZ PHE 77 HZ PHE 77 -5.758 -3.714 -2.222 578 H ARG 78 H ARG 78 -1.338 2.331 -1.098 579 HA ARG 78 HA ARG 78 0.837 3.596 -2.602 580 HB2 ARG 78 1HB ARG 78 -1.188 4.943 -0.891 581 HB3 ARG 78 2HB ARG 78 0.476 5.498 -0.757 582 HG2 ARG 78 1HG ARG 78 0.529 5.935 -3.158 583 HG3 ARG 78 2HG ARG 78 -1.138 5.373 -3.296 584 HD2 ARG 78 1HD ARG 78 -0.541 7.520 -1.330 585 HD3 ARG 78 2HD ARG 78 -0.537 7.941 -3.042 586 HE ARG 78 HE ARG 78 -2.870 6.585 -2.701 587 HH11 ARG 78 2HH1 ARG 78 -1.410 9.348 -1.168 588 HH12 ARG 78 1HH1 ARG 78 -2.923 10.099 -0.784 589 HH21 ARG 78 2HH2 ARG 78 -4.869 7.563 -2.201 590 HH22 ARG 78 1HH2 ARG 78 -4.890 9.082 -1.371 591 H LEU 79 H LEU 79 2.778 3.312 -1.692 592 HA LEU 79 HA LEU 79 2.892 2.522 1.141 593 HB2 LEU 79 1HB LEU 79 3.156 0.600 -0.451 594 HB3 LEU 79 2HB LEU 79 4.627 1.374 -1.037 595 HG LEU 79 HG LEU 79 5.532 1.203 1.300 596 HD11 LEU 79 1HD1 LEU 79 2.853 0.221 1.760 597 HD12 LEU 79 2HD1 LEU 79 4.088 0.716 2.916 598 HD13 LEU 79 3HD1 LEU 79 4.072 -0.935 2.296 599 HD21 LEU 79 1HD2 LEU 79 5.529 -1.479 1.053 600 HD22 LEU 79 2HD2 LEU 79 6.529 -0.405 0.073 601 HD23 LEU 79 3HD2 LEU 79 5.001 -1.016 -0.565 602 H ALA 80 H ALA 80 4.965 2.914 2.177 603 HA ALA 80 HA ALA 80 6.828 4.684 0.833 604 HB1 ALA 80 1HB ALA 80 6.297 6.016 3.258 605 HB2 ALA 80 2HB ALA 80 6.011 6.591 1.615 606 HB3 ALA 80 3HB ALA 80 4.740 5.727 2.480 607 H ALA 81 H ALA 81 8.849 4.719 1.773 608 HA ALA 81 HA ALA 81 9.335 2.640 3.745 609 HB1 ALA 81 1HB ALA 81 11.604 2.753 3.129 610 HB2 ALA 81 2HB ALA 81 10.699 2.957 1.628 611 HB3 ALA 81 3HB ALA 81 11.416 4.359 2.423 612 H LYS 82 H LYS 82 10.430 2.958 5.704 613 HA LYS 82 HA LYS 82 10.569 5.744 6.646 614 HB2 LYS 82 1HB LYS 82 8.594 4.210 7.472 615 HB3 LYS 82 2HB LYS 82 9.830 3.540 8.529 616 HG2 LYS 82 1HG LYS 82 10.276 5.827 9.375 617 HG3 LYS 82 2HG LYS 82 8.925 6.408 8.399 618 HD2 LYS 82 1HD LYS 82 7.547 4.611 9.628 619 HD3 LYS 82 2HD LYS 82 8.885 4.582 10.779 620 HE2 LYS 82 1HE LYS 82 8.565 7.166 10.796 621 HE3 LYS 82 2HE LYS 82 6.968 6.790 10.150 622 HZ1 LYS 82 1HZ LYS 82 7.309 6.971 12.691 623 HZ2 LYS 82 2HZ LYS 82 7.929 5.403 12.560 624 HZ3 LYS 82 3HZ LYS 82 6.341 5.728 12.074 625 H ASN 83 H ASN 83 12.537 6.276 7.306 626 HA ASN 83 HA ASN 83 14.316 4.137 8.278 627 HB2 ASN 83 1HB ASN 83 16.200 5.541 7.456 628 HB3 ASN 83 2HB ASN 83 15.128 5.004 6.167 629 HD21 ASN 83 1HD2 ASN 83 16.468 6.906 5.269 630 HD22 ASN 83 2HD2 ASN 83 15.696 8.450 5.346 631 H ARG 84 H ARG 84 16.281 5.343 9.487 632 HA ARG 84 HA ARG 84 15.430 6.055 11.976 633 HB2 ARG 84 1HB ARG 84 17.925 6.846 10.485 634 HB3 ARG 84 2HB ARG 84 17.666 7.291 12.166 635 HG2 ARG 84 1HG ARG 84 17.219 4.721 12.448 636 HG3 ARG 84 2HG ARG 84 18.173 4.618 10.967 637 HD2 ARG 84 1HD ARG 84 19.186 6.277 13.226 638 HD3 ARG 84 2HD ARG 84 19.319 4.522 13.332 639 HE ARG 84 HE ARG 84 20.868 6.267 11.682 640 HH11 ARG 84 2HH1 ARG 84 19.551 3.054 11.931 641 HH12 ARG 84 1HH1 ARG 84 20.755 2.341 10.910 642 HH21 ARG 84 2HH2 ARG 84 22.458 5.340 10.335 643 HH22 ARG 84 1HH2 ARG 84 22.408 3.642 10.003 644 H ALA 85 H ALA 85 15.885 8.174 9.199 645 HA ALA 85 HA ALA 85 15.403 10.593 10.650 646 HB1 ALA 85 1HB ALA 85 15.362 11.667 8.471 647 HB2 ALA 85 2HB ALA 85 16.726 10.553 8.584 648 HB3 ALA 85 3HB ALA 85 15.285 10.093 7.678 649 H GLY 86 H GLY 86 13.434 8.320 8.840 650 HA2 GLY 86 1HA GLY 86 11.069 8.394 9.870 651 HA3 GLY 86 2HA GLY 86 11.078 10.036 9.245 652 H LEU 87 H LEU 87 9.150 9.265 8.082 653 HA LEU 87 HA LEU 87 9.402 7.303 6.030 654 HB2 LEU 87 1HB LEU 87 7.345 9.492 6.269 655 HB3 LEU 87 2HB LEU 87 7.208 8.009 5.327 656 HG LEU 87 HG LEU 87 7.549 7.857 8.294 657 HD11 LEU 87 1HD1 LEU 87 4.795 7.867 7.228 658 HD12 LEU 87 2HD1 LEU 87 5.595 9.432 7.364 659 HD13 LEU 87 3HD1 LEU 87 5.414 8.408 8.788 660 HD21 LEU 87 1HD2 LEU 87 7.331 5.991 6.281 661 HD22 LEU 87 2HD2 LEU 87 5.696 6.070 6.937 662 HD23 LEU 87 3HD2 LEU 87 7.055 5.701 7.999 663 H GLY 88 H GLY 88 9.448 7.611 3.771 664 HA2 GLY 88 1HA GLY 88 10.437 10.266 2.930 665 HA3 GLY 88 2HA GLY 88 11.148 8.769 2.346 666 H GLU 89 H GLU 89 10.732 9.141 0.188 667 HA GLU 89 HA GLU 89 8.420 10.097 -0.968 668 HB2 GLU 89 1HB GLU 89 10.613 8.308 -1.882 669 HB3 GLU 89 2HB GLU 89 9.163 8.377 -2.872 670 HG2 GLU 89 1HG GLU 89 10.788 10.769 -2.044 671 HG3 GLU 89 2HG GLU 89 10.923 9.943 -3.595 672 H GLU 90 H GLU 90 6.900 8.765 -2.386 673 HA GLU 90 HA GLU 90 6.140 6.234 -1.125 674 HB2 GLU 90 1HB GLU 90 3.770 6.929 -1.071 675 HB3 GLU 90 2HB GLU 90 4.779 7.899 -0.007 676 HG2 GLU 90 1HG GLU 90 4.540 9.786 -1.262 677 HG3 GLU 90 2HG GLU 90 4.291 8.892 -2.761 678 H PHE 91 H PHE 91 5.042 4.799 -2.461 679 HA PHE 91 HA PHE 91 5.085 5.517 -5.313 680 HB2 PHE 91 1HB PHE 91 6.556 3.635 -4.592 681 HB3 PHE 91 2HB PHE 91 5.119 2.755 -4.083 682 HD1 PHE 91 2HD PHE 91 3.267 2.521 -5.952 683 HD2 PHE 91 1HD PHE 91 7.400 3.230 -6.685 684 HE1 PHE 91 2HE PHE 91 3.015 1.618 -8.226 685 HE2 PHE 91 1HE PHE 91 7.154 2.329 -8.961 686 HZ PHE 91 HZ PHE 91 4.960 1.519 -9.734 687 H GLU 92 H GLU 92 3.273 5.425 -6.512 688 HA GLU 92 HA GLU 92 0.821 4.495 -5.171 689 HB2 GLU 92 1HB GLU 92 0.712 6.863 -5.557 690 HB3 GLU 92 2HB GLU 92 1.229 6.669 -7.225 691 HG2 GLU 92 1HG GLU 92 -0.837 5.616 -7.811 692 HG3 GLU 92 2HG GLU 92 -1.346 5.573 -6.124 693 H LYS 93 H LYS 93 -0.417 2.988 -6.130 694 HA LYS 93 HA LYS 93 0.096 2.300 -8.934 695 HB2 LYS 93 1HB LYS 93 1.347 0.815 -7.204 696 HB3 LYS 93 2HB LYS 93 -0.240 0.124 -6.892 697 HG2 LYS 93 1HG LYS 93 0.981 0.256 -9.636 698 HG3 LYS 93 2HG LYS 93 1.194 -1.114 -8.542 699 HD2 LYS 93 1HD LYS 93 -1.348 -1.199 -8.412 700 HD3 LYS 93 2HD LYS 93 -1.348 -0.096 -9.789 701 HE2 LYS 93 1HE LYS 93 0.100 -2.737 -9.773 702 HE3 LYS 93 2HE LYS 93 -1.553 -2.541 -10.353 703 HZ1 LYS 93 1HZ LYS 93 0.276 -0.645 -11.492 704 HZ2 LYS 93 2HZ LYS 93 -0.844 -1.656 -12.255 705 HZ3 LYS 93 3HZ LYS 93 0.689 -2.246 -11.849 706 H GLU 94 H GLU 94 -1.723 2.056 -10.060 707 HA GLU 94 HA GLU 94 -4.247 1.844 -8.574 708 HB2 GLU 94 1HB GLU 94 -4.134 3.798 -9.981 709 HB3 GLU 94 2HB GLU 94 -3.648 2.829 -11.366 710 HG2 GLU 94 1HG GLU 94 -6.279 2.410 -9.994 711 HG3 GLU 94 2HG GLU 94 -6.066 3.622 -11.255 712 H ILE 95 H ILE 95 -5.606 0.164 -8.845 713 HA ILE 95 HA ILE 95 -5.107 -1.730 -11.025 714 HB ILE 95 HB ILE 95 -5.146 -3.644 -9.609 715 HG12 ILE 95 1HG1 ILE 95 -6.766 -2.982 -7.958 716 HG13 ILE 95 2HG1 ILE 95 -5.278 -3.402 -7.116 717 HG21 ILE 95 1HG2 ILE 95 -3.308 -2.356 -7.837 718 HG22 ILE 95 2HG2 ILE 95 -2.977 -3.419 -9.203 719 HG23 ILE 95 3HG2 ILE 95 -3.136 -1.681 -9.457 720 HD11 ILE 95 1HD1 ILE 95 -4.838 -0.814 -7.336 721 HD12 ILE 95 2HD1 ILE 95 -6.598 -0.770 -7.443 722 HD13 ILE 95 3HD1 ILE 95 -5.817 -1.483 -6.031 723 H ARG 96 H ARG 96 -6.902 -3.516 -10.911 724 HA ARG 96 HA ARG 96 -9.447 -2.553 -9.920 725 HB2 ARG 96 1HB ARG 96 -9.117 -1.424 -12.138 726 HB3 ARG 96 2HB ARG 96 -9.085 -3.016 -12.883 727 HG2 ARG 96 1HG ARG 96 -11.373 -3.394 -11.895 728 HG3 ARG 96 2HG ARG 96 -11.380 -1.678 -11.481 729 HD2 ARG 96 1HD ARG 96 -11.100 -2.857 -14.244 730 HD3 ARG 96 2HD ARG 96 -12.526 -2.052 -13.591 731 HE ARG 96 HE ARG 96 -10.547 -0.198 -13.349 732 HH11 ARG 96 2HH1 ARG 96 -11.819 -2.086 -15.983 733 HH12 ARG 96 1HH1 ARG 96 -11.458 -0.892 -17.186 734 HH21 ARG 96 2HH2 ARG 96 -10.066 1.381 -14.923 735 HH22 ARG 96 1HH2 ARG 96 -10.460 1.080 -16.581 736 H THR 97 H THR 97 -10.304 -4.286 -9.002 737 HA THR 97 HA THR 97 -9.481 -6.928 -9.477 738 HB THR 97 HB THR 97 -11.537 -7.575 -8.179 739 HG1 THR 97 1HG THR 97 -11.949 -4.845 -7.649 740 HG21 THR 97 1HG2 THR 97 -9.908 -7.362 -6.636 741 HG22 THR 97 2HG2 THR 97 -10.752 -5.876 -6.201 742 HG23 THR 97 3HG2 THR 97 -9.362 -5.817 -7.284 743 HA PRO 98 HA PRO 98 -11.729 -7.881 -13.170 744 HB2 PRO 98 1HB PRO 98 -11.364 -10.570 -13.107 745 HB3 PRO 98 2HB PRO 98 -10.089 -9.438 -13.572 746 HG2 PRO 98 1HG PRO 98 -10.551 -10.796 -10.945 747 HG3 PRO 98 2HG PRO 98 -9.030 -10.545 -11.822 748 HD2 PRO 98 1HD PRO 98 -9.784 -8.989 -9.737 749 HD3 PRO 98 2HD PRO 98 -8.825 -8.367 -11.096 750 H GLU 99 H GLU 99 -13.884 -7.576 -12.941 751 HA GLU 99 HA GLU 99 -15.622 -8.430 -11.052 752 HB2 GLU 99 1HB GLU 99 -17.349 -8.537 -12.972 753 HB3 GLU 99 2HB GLU 99 -16.534 -7.011 -12.660 754 HG2 GLU 99 1HG GLU 99 -16.201 -7.023 -14.872 755 HG3 GLU 99 2HG GLU 99 -14.857 -8.090 -14.471 756 H ASP 100 H ASP 100 -17.321 -10.130 -11.135 757 HA ASP 100 HA ASP 100 -16.132 -12.685 -11.980 758 HB2 ASP 100 1HB ASP 100 -16.412 -12.705 -9.627 759 HB3 ASP 100 2HB ASP 100 -18.016 -11.983 -9.734 760 H LEU 101 H LEU 101 -19.339 -11.185 -11.539 761 HA LEU 101 HA LEU 101 -20.915 -12.966 -12.869 762 HB2 LEU 101 1HB LEU 101 -21.644 -10.866 -11.725 763 HB3 LEU 101 2HB LEU 101 -21.149 -9.977 -13.164 764 HG LEU 101 HG LEU 101 -23.154 -12.180 -13.407 765 HD11 LEU 101 1HD1 LEU 101 -23.594 -9.467 -12.227 766 HD12 LEU 101 2HD1 LEU 101 -24.228 -11.028 -11.709 767 HD13 LEU 101 3HD1 LEU 101 -24.864 -10.257 -13.162 768 HD21 LEU 101 1HD2 LEU 101 -23.985 -10.551 -15.168 769 HD22 LEU 101 2HD2 LEU 101 -22.427 -11.319 -15.473 770 HD23 LEU 101 3HD2 LEU 101 -22.492 -9.654 -14.895 771 H SER 102 H SER 102 -20.866 -13.825 -14.828 772 HA SER 102 HA SER 102 -19.531 -12.339 -16.988 773 HB2 SER 102 1HB SER 102 -19.782 -15.246 -16.345 774 HB3 SER 102 2HB SER 102 -19.644 -14.774 -18.039 775 HG SER 102 HG SER 102 -17.831 -14.181 -15.938 776 H GLY 103 H GLY 103 -20.414 -12.679 -19.192 777 HA2 GLY 103 1HA GLY 103 -23.354 -12.591 -19.084 778 HA3 GLY 103 2HA GLY 103 -22.358 -11.851 -20.328 779 HA PRO 104 HA PRO 104 -24.049 -16.027 -21.718 780 HB2 PRO 104 1HB PRO 104 -25.564 -15.088 -23.765 781 HB3 PRO 104 2HB PRO 104 -26.181 -15.272 -22.119 782 HG2 PRO 104 1HG PRO 104 -25.190 -12.811 -23.506 783 HG3 PRO 104 2HG PRO 104 -26.609 -13.012 -22.462 784 HD2 PRO 104 1HD PRO 104 -24.288 -11.937 -21.575 785 HD3 PRO 104 2HD PRO 104 -25.360 -12.890 -20.529 786 H SER 105 H SER 105 -21.833 -16.316 -22.355 787 HA SER 105 HA SER 105 -20.890 -15.101 -24.797 788 HB2 SER 105 1HB SER 105 -19.756 -16.941 -22.743 789 HB3 SER 105 2HB SER 105 -19.028 -16.954 -24.349 790 HG SER 105 HG SER 105 -18.673 -15.189 -22.395 791 H SER 106 H SER 106 -22.186 -15.770 -26.469 792 HA SER 106 HA SER 106 -21.856 -18.566 -27.270 793 HB2 SER 106 1HB SER 106 -24.137 -18.057 -26.100 794 HB3 SER 106 2HB SER 106 -24.542 -17.271 -27.626 795 HG SER 106 HG SER 106 -23.450 -19.843 -27.707 796 H GLY 107 H GLY 107 -21.327 -18.770 -29.356 797 HA2 GLY 107 1HA GLY 107 -21.773 -16.432 -31.110 798 HA3 GLY 107 2HA GLY 107 -20.311 -17.406 -31.166 Start of MODEL 10 1 H1 GLY 1 H GLY 1 13.270 28.082 6.515 2 HA2 GLY 1 1HA GLY 1 13.573 27.364 3.822 3 HA3 GLY 1 2HA GLY 1 13.952 26.334 5.194 4 H SER 2 H SER 2 11.692 27.052 2.694 5 HA SER 2 HA SER 2 9.636 25.293 3.702 6 HB2 SER 2 1HB SER 2 9.983 26.850 1.144 7 HB3 SER 2 2HB SER 2 8.657 25.708 1.362 8 HG SER 2 HG SER 2 7.752 27.457 2.165 9 H SER 3 H SER 3 11.810 25.272 0.877 10 HA SER 3 HA SER 3 11.147 22.671 0.030 11 HB2 SER 3 1HB SER 3 12.237 24.226 -1.482 12 HB3 SER 3 2HB SER 3 13.656 24.300 -0.437 13 HG SER 3 HG SER 3 13.588 22.796 -2.383 14 H GLY 4 H GLY 4 11.420 20.879 1.181 15 HA2 GLY 4 1HA GLY 4 14.042 20.363 2.373 16 HA3 GLY 4 2HA GLY 4 12.647 20.304 3.439 17 H SER 5 H SER 5 13.975 18.913 0.461 18 HA SER 5 HA SER 5 12.193 16.636 0.625 19 HB2 SER 5 1HB SER 5 12.875 17.627 -1.563 20 HB3 SER 5 2HB SER 5 14.526 17.092 -1.251 21 HG SER 5 HG SER 5 13.269 14.944 -0.912 22 H SER 6 H SER 6 12.878 15.859 2.704 23 HA SER 6 HA SER 6 15.440 14.404 2.600 24 HB2 SER 6 1HB SER 6 15.396 16.243 4.287 25 HB3 SER 6 2HB SER 6 14.048 15.432 5.084 26 HG SER 6 HG SER 6 16.448 15.037 5.701 27 H GLY 7 H GLY 7 15.473 12.274 3.235 28 HA2 GLY 7 1HA GLY 7 14.253 10.537 4.587 29 HA3 GLY 7 2HA GLY 7 12.820 11.064 3.716 30 HA PRO 8 HA PRO 8 15.008 7.504 1.515 31 HB2 PRO 8 1HB PRO 8 13.042 5.660 1.838 32 HB3 PRO 8 2HB PRO 8 14.356 5.876 3.000 33 HG2 PRO 8 1HG PRO 8 11.549 6.909 3.102 34 HG3 PRO 8 2HG PRO 8 12.524 6.191 4.397 35 HD2 PRO 8 1HD PRO 8 12.176 8.865 4.147 36 HD3 PRO 8 2HD PRO 8 13.668 8.152 4.794 37 H GLY 9 H GLY 9 14.171 6.349 -0.420 38 HA2 GLY 9 1HA GLY 9 12.498 8.139 -1.963 39 HA3 GLY 9 2HA GLY 9 13.353 6.727 -2.565 40 H ARG 10 H ARG 10 11.217 6.560 -3.730 41 HA ARG 10 HA ARG 10 8.993 5.598 -2.146 42 HB2 ARG 10 1HB ARG 10 7.839 5.378 -4.307 43 HB3 ARG 10 2HB ARG 10 8.538 6.978 -4.100 44 HG2 ARG 10 1HG ARG 10 10.447 6.288 -5.506 45 HG3 ARG 10 2HG ARG 10 9.652 4.735 -5.769 46 HD2 ARG 10 1HD ARG 10 9.205 6.173 -7.645 47 HD3 ARG 10 2HD ARG 10 7.715 5.940 -6.732 48 HE ARG 10 HE ARG 10 9.194 8.303 -6.004 49 HH11 ARG 10 2HH1 ARG 10 6.780 6.949 -8.116 50 HH12 ARG 10 1HH1 ARG 10 6.025 8.474 -8.444 51 HH21 ARG 10 2HH2 ARG 10 8.209 10.316 -6.428 52 HH22 ARG 10 1HH2 ARG 10 6.839 10.388 -7.484 53 HA PRO 11 HA PRO 11 10.375 1.381 -2.279 54 HB2 PRO 11 1HB PRO 11 8.135 0.291 -1.200 55 HB3 PRO 11 2HB PRO 11 9.345 1.149 -0.238 56 HG2 PRO 11 1HG PRO 11 6.725 2.133 -1.302 57 HG3 PRO 11 2HG PRO 11 7.450 2.387 0.296 58 HD2 PRO 11 1HD PRO 11 7.529 4.264 -1.654 59 HD3 PRO 11 2HD PRO 11 8.826 4.075 -0.458 60 H THR 12 H THR 12 9.916 -0.533 -3.418 61 HA THR 12 HA THR 12 8.223 -0.132 -5.755 62 HB THR 12 HB THR 12 10.129 -2.395 -5.126 63 HG1 THR 12 1HG THR 12 10.413 -0.018 -6.670 64 HG21 THR 12 1HG2 THR 12 9.656 -1.999 -7.912 65 HG22 THR 12 2HG2 THR 12 8.103 -2.164 -7.093 66 HG23 THR 12 3HG2 THR 12 9.326 -3.425 -6.929 67 H MET 13 H MET 13 6.128 -0.540 -5.292 68 HA MET 13 HA MET 13 5.439 -2.915 -3.736 69 HB2 MET 13 1HB MET 13 4.376 -0.694 -3.249 70 HB3 MET 13 2HB MET 13 3.593 -0.784 -4.822 71 HG2 MET 13 1HG MET 13 2.239 -2.564 -4.182 72 HG3 MET 13 2HG MET 13 3.261 -2.968 -2.805 73 HE1 MET 13 1HE MET 13 0.925 0.994 -2.856 74 HE2 MET 13 2HE MET 13 2.280 0.559 -3.898 75 HE3 MET 13 3HE MET 13 0.691 -0.156 -4.173 76 H MET 14 H MET 14 4.289 -4.630 -4.537 77 HA MET 14 HA MET 14 3.588 -4.580 -7.390 78 HB2 MET 14 1HB MET 14 5.010 -6.862 -6.009 79 HB3 MET 14 2HB MET 14 4.508 -6.818 -7.694 80 HG2 MET 14 1HG MET 14 6.024 -4.833 -7.979 81 HG3 MET 14 2HG MET 14 6.642 -5.176 -6.365 82 HE1 MET 14 1HE MET 14 9.051 -6.056 -6.477 83 HE2 MET 14 2HE MET 14 7.986 -7.220 -5.690 84 HE3 MET 14 3HE MET 14 9.210 -7.776 -6.832 85 H ILE 15 H ILE 15 1.436 -4.752 -7.358 86 HA ILE 15 HA ILE 15 0.136 -6.462 -5.383 87 HB ILE 15 HB ILE 15 -1.097 -4.629 -7.443 88 HG12 ILE 15 1HG1 ILE 15 -1.138 -4.078 -4.509 89 HG13 ILE 15 2HG1 ILE 15 0.346 -3.746 -5.396 90 HG21 ILE 15 1HG2 ILE 15 -3.118 -5.333 -6.804 91 HG22 ILE 15 2HG2 ILE 15 -2.277 -6.722 -6.117 92 HG23 ILE 15 3HG2 ILE 15 -2.672 -5.338 -5.097 93 HD11 ILE 15 1HD1 ILE 15 -2.279 -2.396 -5.512 94 HD12 ILE 15 2HD1 ILE 15 -0.649 -1.728 -5.601 95 HD13 ILE 15 3HD1 ILE 15 -1.359 -2.514 -7.012 96 H SER 16 H SER 16 -0.626 -8.426 -5.825 97 HA SER 16 HA SER 16 -1.009 -9.186 -8.644 98 HB2 SER 16 1HB SER 16 1.110 -10.099 -7.393 99 HB3 SER 16 2HB SER 16 -0.045 -11.197 -6.638 100 HG SER 16 HG SER 16 -0.702 -11.453 -9.035 101 H THR 17 H THR 17 -2.971 -9.942 -9.064 102 HA THR 17 HA THR 17 -4.761 -10.557 -6.847 103 HB THR 17 HB THR 17 -6.564 -10.468 -8.470 104 HG1 THR 17 1HG THR 17 -6.182 -10.318 -10.635 105 HG21 THR 17 1HG2 THR 17 -4.556 -8.232 -8.620 106 HG22 THR 17 2HG2 THR 17 -6.022 -8.328 -7.644 107 HG23 THR 17 3HG2 THR 17 -6.138 -8.126 -9.392 108 H THR 18 H THR 18 -4.631 -12.593 -6.135 109 HA THR 18 HA THR 18 -4.379 -14.767 -8.098 110 HB THR 18 HB THR 18 -3.619 -16.186 -6.302 111 HG1 THR 18 1HG THR 18 -3.782 -14.019 -4.487 112 HG21 THR 18 1HG2 THR 18 -2.318 -13.491 -6.500 113 HG22 THR 18 2HG2 THR 18 -1.794 -15.031 -7.179 114 HG23 THR 18 3HG2 THR 18 -1.654 -14.738 -5.446 115 H ALA 19 H ALA 19 -5.869 -14.476 -4.872 116 HA ALA 19 HA ALA 19 -7.953 -16.319 -5.569 117 HB1 ALA 19 1HB ALA 19 -8.741 -15.123 -3.217 118 HB2 ALA 19 2HB ALA 19 -7.765 -16.585 -3.363 119 HB3 ALA 19 3HB ALA 19 -6.981 -15.019 -3.157 120 H MET 20 H MET 20 -10.289 -15.673 -4.975 121 HA MET 20 HA MET 20 -11.007 -13.473 -6.694 122 HB2 MET 20 1HB MET 20 -12.724 -15.360 -5.072 123 HB3 MET 20 2HB MET 20 -13.332 -14.194 -6.240 124 HG2 MET 20 1HG MET 20 -11.321 -16.230 -7.081 125 HG3 MET 20 2HG MET 20 -13.018 -16.677 -6.918 126 HE1 MET 20 1HE MET 20 -10.321 -14.916 -8.452 127 HE2 MET 20 2HE MET 20 -10.747 -15.245 -10.131 128 HE3 MET 20 3HE MET 20 -11.005 -13.636 -9.455 129 H ASN 21 H ASN 21 -11.432 -11.458 -6.079 130 HA ASN 21 HA ASN 21 -11.948 -9.644 -4.804 131 HB2 ASN 21 1HB ASN 21 -12.968 -11.490 -2.654 132 HB3 ASN 21 2HB ASN 21 -13.495 -9.853 -3.033 133 HD21 ASN 21 1HD2 ASN 21 -15.337 -9.704 -4.071 134 HD22 ASN 21 2HD2 ASN 21 -16.038 -10.914 -5.086 135 H THR 22 H THR 22 -9.397 -11.061 -4.583 136 HA THR 22 HA THR 22 -8.531 -9.895 -2.036 137 HB THR 22 HB THR 22 -7.274 -11.758 -1.356 138 HG1 THR 22 1HG THR 22 -7.483 -12.487 -4.042 139 HG21 THR 22 1HG2 THR 22 -8.945 -13.731 -1.618 140 HG22 THR 22 2HG2 THR 22 -9.971 -12.531 -2.405 141 HG23 THR 22 3HG2 THR 22 -9.449 -12.288 -0.738 142 H ALA 23 H ALA 23 -6.734 -8.704 -2.215 143 HA ALA 23 HA ALA 23 -5.178 -8.934 -4.708 144 HB1 ALA 23 1HB ALA 23 -4.603 -6.527 -4.337 145 HB2 ALA 23 2HB ALA 23 -6.305 -6.834 -4.684 146 HB3 ALA 23 3HB ALA 23 -5.788 -6.509 -3.030 147 H LEU 24 H LEU 24 -3.226 -9.769 -4.419 148 HA LEU 24 HA LEU 24 -2.028 -9.959 -1.820 149 HB2 LEU 24 1HB LEU 24 -1.895 -11.583 -3.856 150 HB3 LEU 24 2HB LEU 24 -0.565 -10.542 -4.360 151 HG LEU 24 HG LEU 24 0.362 -12.429 -3.240 152 HD11 LEU 24 1HD1 LEU 24 0.499 -10.446 -1.036 153 HD12 LEU 24 2HD1 LEU 24 1.039 -9.942 -2.638 154 HD13 LEU 24 3HD1 LEU 24 1.790 -11.330 -1.851 155 HD21 LEU 24 1HD2 LEU 24 -0.238 -12.960 -0.894 156 HD22 LEU 24 2HD2 LEU 24 -1.563 -13.215 -2.030 157 HD23 LEU 24 3HD2 LEU 24 -1.549 -11.784 -0.998 158 H LEU 25 H LEU 25 -0.419 -8.771 -0.953 159 HA LEU 25 HA LEU 25 0.616 -6.537 -2.570 160 HB2 LEU 25 1HB LEU 25 0.365 -6.680 0.429 161 HB3 LEU 25 2HB LEU 25 0.865 -5.283 -0.523 162 HG LEU 25 HG LEU 25 -1.878 -6.511 -0.728 163 HD11 LEU 25 1HD1 LEU 25 -2.054 -5.806 1.421 164 HD12 LEU 25 2HD1 LEU 25 -2.349 -4.265 0.617 165 HD13 LEU 25 3HD1 LEU 25 -0.749 -4.630 1.263 166 HD21 LEU 25 1HD2 LEU 25 -0.615 -3.949 -1.665 167 HD22 LEU 25 2HD2 LEU 25 -2.363 -4.157 -1.550 168 HD23 LEU 25 3HD2 LEU 25 -1.420 -5.193 -2.623 169 H GLN 26 H GLN 26 2.715 -6.544 -3.010 170 HA GLN 26 HA GLN 26 4.594 -7.748 -1.129 171 HB2 GLN 26 1HB GLN 26 4.636 -8.465 -4.061 172 HB3 GLN 26 2HB GLN 26 5.675 -9.104 -2.794 173 HG2 GLN 26 1HG GLN 26 3.355 -9.843 -1.767 174 HG3 GLN 26 2HG GLN 26 2.863 -9.761 -3.458 175 HE21 GLN 26 1HE2 GLN 26 4.455 -11.564 -1.075 176 HE22 GLN 26 2HE2 GLN 26 5.040 -12.839 -2.084 177 H TRP 27 H TRP 27 6.057 -6.236 -0.736 178 HA TRP 27 HA TRP 27 7.060 -4.629 -2.987 179 HB2 TRP 27 1HB TRP 27 7.194 -2.670 -1.485 180 HB3 TRP 27 2HB TRP 27 5.537 -3.221 -1.710 181 HD1 TRP 27 HD TRP 27 8.316 -3.113 0.937 182 HE1 TRP 27 1HE TRP 27 7.248 -3.456 3.253 183 HE3 TRP 27 3HE TRP 27 3.541 -4.207 -0.525 184 HZ2 TRP 27 2HZ TRP 27 4.716 -4.105 4.320 185 HZ3 TRP 27 3HZ TRP 27 1.856 -4.677 1.205 186 HH2 TRP 27 HH TRP 27 2.434 -4.628 3.577 187 H HIS 28 H HIS 28 9.153 -3.471 -2.329 188 HA HIS 28 HA HIS 28 10.750 -5.100 -0.484 189 HB2 HIS 28 1HB HIS 28 11.287 -4.601 -3.393 190 HB3 HIS 28 2HB HIS 28 12.630 -4.835 -2.278 191 HD1 HIS 28 1HD HIS 28 12.833 -7.196 -1.158 192 HD2 HIS 28 2HD HIS 28 9.890 -6.892 -4.074 193 HE1 HIS 28 1HE HIS 28 12.197 -9.563 -1.720 194 HE2 HIS 28 2HE HIS 28 10.476 -9.356 -3.547 195 HA PRO 29 HA PRO 29 12.452 -1.305 0.910 196 HB2 PRO 29 1HB PRO 29 15.008 -2.015 1.492 197 HB3 PRO 29 2HB PRO 29 13.624 -2.524 2.467 198 HG2 PRO 29 1HG PRO 29 15.112 -4.036 0.355 199 HG3 PRO 29 2HG PRO 29 14.529 -4.598 1.932 200 HD2 PRO 29 1HD PRO 29 13.216 -5.121 -0.377 201 HD3 PRO 29 2HD PRO 29 12.374 -4.897 1.170 202 HA PRO 30 HA PRO 30 14.292 0.555 -2.681 203 HB2 PRO 30 1HB PRO 30 14.634 3.031 -1.623 204 HB3 PRO 30 2HB PRO 30 13.061 2.419 -2.147 205 HG2 PRO 30 1HG PRO 30 14.217 2.555 0.611 206 HG3 PRO 30 2HG PRO 30 12.575 2.943 0.066 207 HD2 PRO 30 1HD PRO 30 13.195 0.597 1.268 208 HD3 PRO 30 2HD PRO 30 11.929 0.731 0.031 209 H LYS 31 H LYS 31 16.268 1.889 -3.174 210 HA LYS 31 HA LYS 31 18.505 0.931 -1.531 211 HB2 LYS 31 1HB LYS 31 19.898 1.277 -3.503 212 HB3 LYS 31 2HB LYS 31 18.522 0.254 -3.893 213 HG2 LYS 31 1HG LYS 31 17.466 2.590 -4.578 214 HG3 LYS 31 2HG LYS 31 19.169 2.997 -4.800 215 HD2 LYS 31 1HD LYS 31 19.452 1.459 -6.495 216 HD3 LYS 31 2HD LYS 31 18.110 0.451 -5.946 217 HE2 LYS 31 1HE LYS 31 17.631 3.219 -6.988 218 HE3 LYS 31 2HE LYS 31 17.826 1.862 -8.095 219 HZ1 LYS 31 1HZ LYS 31 15.482 2.557 -7.179 220 HZ2 LYS 31 2HZ LYS 31 15.933 1.566 -5.884 221 HZ3 LYS 31 3HZ LYS 31 15.869 0.933 -7.452 222 H GLU 32 H GLU 32 16.987 3.805 -2.801 223 HA GLU 32 HA GLU 32 19.142 5.547 -1.979 224 HB2 GLU 32 1HB GLU 32 16.355 6.210 -2.944 225 HB3 GLU 32 2HB GLU 32 17.662 7.364 -2.720 226 HG2 GLU 32 1HG GLU 32 18.920 5.760 -4.379 227 HG3 GLU 32 2HG GLU 32 17.276 5.320 -4.840 228 H LEU 33 H LEU 33 18.103 3.949 0.117 229 HA LEU 33 HA LEU 33 16.573 5.841 1.754 230 HB2 LEU 33 1HB LEU 33 15.667 3.606 1.640 231 HB3 LEU 33 2HB LEU 33 17.211 2.922 2.146 232 HG LEU 33 HG LEU 33 15.839 4.824 3.981 233 HD11 LEU 33 1HD1 LEU 33 15.041 2.136 4.560 234 HD12 LEU 33 2HD1 LEU 33 14.495 2.589 2.946 235 HD13 LEU 33 3HD1 LEU 33 14.045 3.574 4.338 236 HD21 LEU 33 1HD2 LEU 33 16.768 3.062 5.600 237 HD22 LEU 33 2HD2 LEU 33 17.916 4.111 4.767 238 HD23 LEU 33 3HD2 LEU 33 17.665 2.456 4.207 239 HA PRO 34 HA PRO 34 20.578 6.837 3.551 240 HB2 PRO 34 1HB PRO 34 19.668 8.981 4.945 241 HB3 PRO 34 2HB PRO 34 20.044 9.047 3.219 242 HG2 PRO 34 1HG PRO 34 17.390 8.744 4.569 243 HG3 PRO 34 2HG PRO 34 17.829 9.752 3.178 244 HD2 PRO 34 1HD PRO 34 16.566 7.372 2.911 245 HD3 PRO 34 2HD PRO 34 17.710 7.987 1.701 246 H GLY 35 H GLY 35 20.825 5.080 4.939 247 HA2 GLY 35 1HA GLY 35 21.158 4.995 7.436 248 HA3 GLY 35 2HA GLY 35 19.430 5.297 7.534 249 H GLU 36 H GLU 36 18.330 3.538 8.048 250 HA GLU 36 HA GLU 36 18.859 1.048 6.640 251 HB2 GLU 36 1HB GLU 36 19.069 -0.292 8.625 252 HB3 GLU 36 2HB GLU 36 20.271 0.989 8.694 253 HG2 GLU 36 1HG GLU 36 18.349 2.214 10.040 254 HG3 GLU 36 2HG GLU 36 17.864 0.550 10.363 255 H LEU 37 H LEU 37 17.063 -0.194 6.358 256 HA LEU 37 HA LEU 37 14.536 0.977 6.628 257 HB2 LEU 37 1HB LEU 37 15.242 -0.850 5.036 258 HB3 LEU 37 2HB LEU 37 15.069 -1.975 6.382 259 HG LEU 37 HG LEU 37 12.642 -1.044 6.502 260 HD11 LEU 37 1HD1 LEU 37 13.657 0.365 4.251 261 HD12 LEU 37 2HD1 LEU 37 12.044 0.426 4.959 262 HD13 LEU 37 3HD1 LEU 37 12.410 -0.752 3.699 263 HD21 LEU 37 1HD2 LEU 37 13.769 -2.980 4.515 264 HD22 LEU 37 2HD2 LEU 37 12.034 -2.673 4.593 265 HD23 LEU 37 3HD2 LEU 37 12.884 -3.300 6.007 266 H LEU 38 H LEU 38 13.138 1.091 8.260 267 HA LEU 38 HA LEU 38 13.509 -0.726 10.550 268 HB2 LEU 38 1HB LEU 38 12.647 2.161 10.644 269 HB3 LEU 38 2HB LEU 38 12.817 1.082 12.028 270 HG LEU 38 HG LEU 38 15.127 1.851 10.256 271 HD11 LEU 38 1HD1 LEU 38 15.279 3.834 11.231 272 HD12 LEU 38 2HD1 LEU 38 15.176 3.103 12.832 273 HD13 LEU 38 3HD1 LEU 38 13.704 3.553 11.972 274 HD21 LEU 38 1HD2 LEU 38 14.889 0.580 12.976 275 HD22 LEU 38 2HD2 LEU 38 16.402 1.195 12.311 276 HD23 LEU 38 3HD2 LEU 38 15.559 -0.130 11.507 277 H GLY 39 H GLY 39 11.301 0.975 8.445 278 HA2 GLY 39 1HA GLY 39 9.254 -0.919 8.712 279 HA3 GLY 39 2HA GLY 39 8.893 0.417 9.796 280 H TYR 40 H TYR 40 7.006 0.169 8.094 281 HA TYR 40 HA TYR 40 7.178 2.487 6.428 282 HB2 TYR 40 1HB TYR 40 6.345 0.878 4.427 283 HB3 TYR 40 2HB TYR 40 8.021 1.371 4.640 284 HD1 TYR 40 1HD TYR 40 6.055 -1.149 6.552 285 HD2 TYR 40 2HD TYR 40 9.266 -0.436 3.853 286 HE1 TYR 40 1HE TYR 40 6.721 -3.510 6.730 287 HE2 TYR 40 2HE TYR 40 9.940 -2.796 4.023 288 HH TYR 40 HH TYR 40 9.252 -4.863 4.707 289 H ARG 41 H ARG 41 5.148 3.186 5.675 290 HA ARG 41 HA ARG 41 2.886 1.831 6.973 291 HB2 ARG 41 1HB ARG 41 3.134 4.061 7.788 292 HB3 ARG 41 2HB ARG 41 3.312 4.704 6.161 293 HG2 ARG 41 1HG ARG 41 0.902 3.706 5.852 294 HG3 ARG 41 2HG ARG 41 0.860 3.857 7.610 295 HD2 ARG 41 1HD ARG 41 0.019 5.898 6.924 296 HD3 ARG 41 2HD ARG 41 1.727 6.262 7.169 297 HE ARG 41 HE ARG 41 1.382 5.503 4.506 298 HH11 ARG 41 2HH1 ARG 41 0.441 8.077 6.653 299 HH12 ARG 41 1HH1 ARG 41 0.346 9.266 5.397 300 HH21 ARG 41 2HH2 ARG 41 1.260 7.059 2.843 301 HH22 ARG 41 1HH2 ARG 41 0.811 8.686 3.230 302 H LEU 42 H LEU 42 1.014 1.374 5.848 303 HA LEU 42 HA LEU 42 1.217 1.601 2.917 304 HB2 LEU 42 1HB LEU 42 1.185 -0.696 4.184 305 HB3 LEU 42 2HB LEU 42 -0.551 -0.396 4.253 306 HG LEU 42 HG LEU 42 1.155 -0.751 1.794 307 HD11 LEU 42 1HD1 LEU 42 -0.159 -2.697 1.407 308 HD12 LEU 42 2HD1 LEU 42 -1.249 -2.299 2.735 309 HD13 LEU 42 3HD1 LEU 42 0.416 -2.772 3.073 310 HD21 LEU 42 1HD2 LEU 42 -1.519 0.473 2.154 311 HD22 LEU 42 2HD2 LEU 42 -1.309 -0.632 0.796 312 HD23 LEU 42 3HD2 LEU 42 -0.278 0.792 0.943 313 H GLN 43 H GLN 43 -0.354 2.629 1.838 314 HA GLN 43 HA GLN 43 -2.879 3.195 3.230 315 HB2 GLN 43 1HB GLN 43 -1.028 5.141 1.888 316 HB3 GLN 43 2HB GLN 43 -2.752 5.473 1.992 317 HG2 GLN 43 1HG GLN 43 -1.303 4.722 4.474 318 HG3 GLN 43 2HG GLN 43 -1.070 6.340 3.813 319 HE21 GLN 43 1HE2 GLN 43 -2.232 7.684 4.990 320 HE22 GLN 43 2HE2 GLN 43 -3.884 7.465 5.446 321 H TYR 44 H TYR 44 -4.490 2.371 2.089 322 HA TYR 44 HA TYR 44 -4.537 2.737 -0.807 323 HB2 TYR 44 1HB TYR 44 -5.056 0.421 -1.262 324 HB3 TYR 44 2HB TYR 44 -3.533 0.498 -0.382 325 HD1 TYR 44 1HD TYR 44 -7.165 -0.159 0.037 326 HD2 TYR 44 2HD TYR 44 -3.255 -0.674 1.634 327 HE1 TYR 44 1HE TYR 44 -8.061 -1.724 1.709 328 HE2 TYR 44 2HE TYR 44 -4.140 -2.242 3.310 329 HH TYR 44 HH TYR 44 -7.587 -3.101 3.383 330 H CYS 45 H CYS 45 -6.540 3.098 -1.610 331 HA CYS 45 HA CYS 45 -8.903 2.371 -0.102 332 HB2 CYS 45 1HB CYS 45 -9.742 4.785 -0.231 333 HB3 CYS 45 2HB CYS 45 -8.537 4.424 1.000 334 HG CYS 45 HG CYS 45 -8.230 6.303 -1.802 335 H ARG 46 H ARG 46 -10.921 3.103 -1.296 336 HA ARG 46 HA ARG 46 -10.803 2.180 -3.951 337 HB2 ARG 46 1HB ARG 46 -12.903 3.459 -2.253 338 HB3 ARG 46 2HB ARG 46 -13.185 3.315 -3.983 339 HG2 ARG 46 1HG ARG 46 -12.592 0.836 -3.664 340 HG3 ARG 46 2HG ARG 46 -12.848 1.149 -1.946 341 HD2 ARG 46 1HD ARG 46 -15.079 2.249 -2.870 342 HD3 ARG 46 2HD ARG 46 -14.794 1.115 -4.189 343 HE ARG 46 HE ARG 46 -15.448 -0.572 -2.803 344 HH11 ARG 46 2HH1 ARG 46 -14.529 2.167 -0.862 345 HH12 ARG 46 1HH1 ARG 46 -15.024 1.441 0.631 346 HH21 ARG 46 2HH2 ARG 46 -16.103 -1.540 -0.844 347 HH22 ARG 46 1HH2 ARG 46 -15.919 -0.668 0.640 348 H ALA 47 H ALA 47 -11.541 3.386 -5.878 349 HA ALA 47 HA ALA 47 -9.973 5.743 -6.233 350 HB1 ALA 47 1HB ALA 47 -10.032 4.611 -8.198 351 HB2 ALA 47 2HB ALA 47 -11.680 4.035 -7.946 352 HB3 ALA 47 3HB ALA 47 -11.398 5.690 -8.484 353 H ASP 48 H ASP 48 -12.805 5.389 -4.682 354 HA ASP 48 HA ASP 48 -13.706 8.093 -5.424 355 HB2 ASP 48 1HB ASP 48 -15.263 5.577 -5.113 356 HB3 ASP 48 2HB ASP 48 -16.001 7.062 -4.519 357 H GLU 49 H GLU 49 -11.970 6.843 -3.233 358 HA GLU 49 HA GLU 49 -13.502 7.625 -0.866 359 HB2 GLU 49 1HB GLU 49 -11.086 5.962 -1.353 360 HB3 GLU 49 2HB GLU 49 -11.179 6.816 0.180 361 HG2 GLU 49 1HG GLU 49 -13.243 4.904 -0.889 362 HG3 GLU 49 2HG GLU 49 -12.039 4.539 0.346 363 H ALA 50 H ALA 50 -12.457 8.990 0.765 364 HA ALA 50 HA ALA 50 -10.784 11.063 -0.498 365 HB1 ALA 50 1HB ALA 50 -11.764 12.635 1.130 366 HB2 ALA 50 2HB ALA 50 -12.976 11.907 0.075 367 HB3 ALA 50 3HB ALA 50 -12.794 11.337 1.734 368 H ARG 51 H ARG 51 -10.991 8.750 2.012 369 HA ARG 51 HA ARG 51 -8.484 9.780 3.161 370 HB2 ARG 51 1HB ARG 51 -10.983 8.913 4.542 371 HB3 ARG 51 2HB ARG 51 -9.441 8.553 5.307 372 HG2 ARG 51 1HG ARG 51 -8.872 10.968 5.159 373 HG3 ARG 51 2HG ARG 51 -10.504 11.266 4.558 374 HD2 ARG 51 1HD ARG 51 -11.463 10.438 6.603 375 HD3 ARG 51 2HD ARG 51 -9.877 9.940 7.191 376 HE ARG 51 HE ARG 51 -9.456 12.110 7.807 377 HH11 ARG 51 2HH1 ARG 51 -12.250 12.015 5.734 378 HH12 ARG 51 1HH1 ARG 51 -12.673 13.672 6.009 379 HH21 ARG 51 2HH2 ARG 51 -10.002 14.293 8.178 380 HH22 ARG 51 1HH2 ARG 51 -11.393 14.968 7.398 381 HA PRO 52 HA PRO 52 -7.229 5.689 1.858 382 HB2 PRO 52 1HB PRO 52 -4.612 6.014 2.500 383 HB3 PRO 52 2HB PRO 52 -5.333 6.691 1.034 384 HG2 PRO 52 1HG PRO 52 -4.746 8.027 3.648 385 HG3 PRO 52 2HG PRO 52 -4.483 8.628 2.000 386 HD2 PRO 52 1HD PRO 52 -6.601 9.388 3.508 387 HD3 PRO 52 2HD PRO 52 -6.688 9.248 1.740 388 H ASN 53 H ASN 53 -6.969 3.788 2.920 389 HA ASN 53 HA ASN 53 -7.292 3.751 5.756 390 HB2 ASN 53 1HB ASN 53 -6.895 1.595 3.686 391 HB3 ASN 53 2HB ASN 53 -7.001 1.228 5.405 392 HD21 ASN 53 1HD2 ASN 53 -8.706 2.192 2.573 393 HD22 ASN 53 2HD2 ASN 53 -10.297 2.115 3.243 394 H THR 54 H THR 54 -5.575 4.506 6.883 395 HA THR 54 HA THR 54 -2.866 3.985 6.208 396 HB THR 54 HB THR 54 -3.909 4.816 8.918 397 HG1 THR 54 1HG THR 54 -4.449 6.096 6.822 398 HG21 THR 54 1HG2 THR 54 -1.263 4.567 7.690 399 HG22 THR 54 2HG2 THR 54 -1.718 4.657 9.392 400 HG23 THR 54 3HG2 THR 54 -1.554 6.134 8.443 401 H ILE 55 H ILE 55 -1.507 2.400 6.828 402 HA ILE 55 HA ILE 55 -2.323 0.559 8.950 403 HB ILE 55 HB ILE 55 -1.507 -0.349 6.188 404 HG12 ILE 55 1HG1 ILE 55 -4.096 -0.834 7.670 405 HG13 ILE 55 2HG1 ILE 55 -3.880 0.444 6.480 406 HG21 ILE 55 1HG2 ILE 55 -2.025 -2.631 7.177 407 HG22 ILE 55 2HG2 ILE 55 -0.527 -1.862 7.699 408 HG23 ILE 55 3HG2 ILE 55 -1.939 -1.849 8.755 409 HD11 ILE 55 1HD1 ILE 55 -4.364 -0.975 4.862 410 HD12 ILE 55 2HD1 ILE 55 -3.012 -2.004 5.335 411 HD13 ILE 55 3HD1 ILE 55 -4.601 -2.248 6.058 412 H ASP 56 H ASP 56 -0.655 -0.281 10.114 413 HA ASP 56 HA ASP 56 1.998 0.790 9.519 414 HB2 ASP 56 1HB ASP 56 1.058 1.139 11.778 415 HB3 ASP 56 2HB ASP 56 0.984 -0.606 12.005 416 H PHE 57 H PHE 57 3.792 -0.457 9.184 417 HA PHE 57 HA PHE 57 3.516 -3.367 9.275 418 HB2 PHE 57 1HB PHE 57 4.154 -1.736 6.832 419 HB3 PHE 57 2HB PHE 57 4.746 -3.386 6.994 420 HD1 PHE 57 1HD PHE 57 2.964 -5.191 7.535 421 HD2 PHE 57 2HD PHE 57 2.068 -1.353 5.927 422 HE1 PHE 57 1HE PHE 57 0.812 -6.046 6.702 423 HE2 PHE 57 2HE PHE 57 -0.086 -2.201 5.092 424 HZ PHE 57 HZ PHE 57 -0.716 -4.550 5.480 425 H GLY 58 H GLY 58 5.379 -4.447 9.769 426 HA2 GLY 58 1HA GLY 58 7.591 -2.799 10.691 427 HA3 GLY 58 2HA GLY 58 7.377 -4.518 10.984 428 H LYS 59 H LYS 59 9.763 -3.096 10.108 429 HA LYS 59 HA LYS 59 10.425 -3.146 7.485 430 HB2 LYS 59 1HB LYS 59 12.713 -3.703 8.140 431 HB3 LYS 59 2HB LYS 59 12.002 -2.558 9.269 432 HG2 LYS 59 1HG LYS 59 11.609 -4.328 10.870 433 HG3 LYS 59 2HG LYS 59 12.221 -5.526 9.727 434 HD2 LYS 59 1HD LYS 59 14.414 -4.420 9.762 435 HD3 LYS 59 2HD LYS 59 13.795 -3.246 10.926 436 HE2 LYS 59 1HE LYS 59 14.962 -4.856 12.195 437 HE3 LYS 59 2HE LYS 59 13.251 -5.217 12.419 438 HZ1 LYS 59 1HZ LYS 59 13.535 -7.226 11.558 439 HZ2 LYS 59 2HZ LYS 59 15.205 -6.958 11.581 440 HZ3 LYS 59 3HZ LYS 59 14.313 -6.617 10.185 441 H ASP 60 H ASP 60 9.638 -5.884 9.449 442 HA ASP 60 HA ASP 60 10.736 -7.844 7.652 443 HB2 ASP 60 1HB ASP 60 10.344 -8.111 10.177 444 HB3 ASP 60 2HB ASP 60 8.653 -8.374 9.763 445 H ASP 61 H ASP 61 7.564 -6.442 8.286 446 HA ASP 61 HA ASP 61 6.090 -8.173 6.605 447 HB2 ASP 61 1HB ASP 61 5.603 -5.552 7.926 448 HB3 ASP 61 2HB ASP 61 4.547 -5.989 6.586 449 H GLN 62 H GLN 62 7.091 -8.394 4.620 450 HA GLN 62 HA GLN 62 7.451 -5.984 2.996 451 HB2 GLN 62 1HB GLN 62 8.435 -8.816 2.716 452 HB3 GLN 62 2HB GLN 62 8.545 -7.659 1.396 453 HG2 GLN 62 1HG GLN 62 9.864 -6.171 2.859 454 HG3 GLN 62 2HG GLN 62 9.819 -7.412 4.111 455 HE21 GLN 62 1HE2 GLN 62 10.732 -6.921 0.726 456 HE22 GLN 62 2HE2 GLN 62 12.102 -7.974 0.761 457 H HIS 63 H HIS 63 5.066 -8.130 3.629 458 HA HIS 63 HA HIS 63 3.650 -7.463 1.205 459 HB2 HIS 63 1HB HIS 63 3.048 -10.013 0.979 460 HB3 HIS 63 2HB HIS 63 4.504 -9.372 0.225 461 HD1 HIS 63 1HD HIS 63 6.583 -10.614 0.729 462 HD2 HIS 63 2HD HIS 63 3.670 -11.230 3.626 463 HE1 HIS 63 1HE HIS 63 7.553 -12.315 2.307 464 HE2 HIS 63 2HE HIS 63 5.739 -12.735 4.003 465 H PHE 64 H PHE 64 1.375 -8.033 1.308 466 HA PHE 64 HA PHE 64 0.374 -8.895 3.907 467 HB2 PHE 64 1HB PHE 64 0.639 -6.382 3.952 468 HB3 PHE 64 2HB PHE 64 -0.571 -6.303 2.677 469 HD1 PHE 64 2HD PHE 64 -0.102 -7.816 6.054 470 HD2 PHE 64 1HD PHE 64 -2.755 -5.965 3.288 471 HE1 PHE 64 2HE PHE 64 -1.883 -7.842 7.751 472 HE2 PHE 64 1HE PHE 64 -4.541 -5.987 4.981 473 HZ PHE 64 HZ PHE 64 -4.107 -6.928 7.215 474 H THR 65 H THR 65 -1.639 -9.832 3.836 475 HA THR 65 HA THR 65 -2.682 -10.347 1.145 476 HB THR 65 HB THR 65 -3.303 -11.788 3.731 477 HG1 THR 65 1HG THR 65 -1.831 -12.922 1.623 478 HG21 THR 65 1HG2 THR 65 -4.560 -13.305 2.510 479 HG22 THR 65 2HG2 THR 65 -3.797 -12.864 0.982 480 HG23 THR 65 3HG2 THR 65 -4.970 -11.779 1.728 481 H VAL 66 H VAL 66 -4.381 -9.221 0.489 482 HA VAL 66 HA VAL 66 -6.261 -8.188 2.508 483 HB VAL 66 HB VAL 66 -5.781 -7.136 -0.283 484 HG11 VAL 66 1HG1 VAL 66 -7.262 -5.754 1.930 485 HG12 VAL 66 2HG1 VAL 66 -7.284 -5.412 0.199 486 HG13 VAL 66 3HG1 VAL 66 -8.077 -6.859 0.823 487 HG21 VAL 66 1HG2 VAL 66 -3.853 -6.519 0.833 488 HG22 VAL 66 2HG2 VAL 66 -4.907 -5.139 1.139 489 HG23 VAL 66 3HG2 VAL 66 -4.676 -6.364 2.386 490 H THR 67 H THR 67 -8.214 -9.067 2.553 491 HA THR 67 HA THR 67 -9.301 -10.240 0.081 492 HB THR 67 HB THR 67 -10.340 -12.035 1.409 493 HG1 THR 67 1HG THR 67 -9.971 -12.213 3.560 494 HG21 THR 67 1HG2 THR 67 -7.682 -11.840 0.631 495 HG22 THR 67 2HG2 THR 67 -8.548 -13.321 1.043 496 HG23 THR 67 3HG2 THR 67 -7.606 -12.478 2.273 497 H GLY 68 H GLY 68 -11.579 -10.198 -0.134 498 HA2 GLY 68 1HA GLY 68 -13.769 -9.638 0.633 499 HA3 GLY 68 2HA GLY 68 -13.042 -8.609 1.859 500 H LEU 69 H LEU 69 -11.459 -8.150 -1.039 501 HA LEU 69 HA LEU 69 -12.388 -5.500 -1.330 502 HB2 LEU 69 1HB LEU 69 -10.824 -7.256 -3.213 503 HB3 LEU 69 2HB LEU 69 -11.096 -5.532 -3.455 504 HG LEU 69 HG LEU 69 -9.662 -6.655 -1.056 505 HD11 LEU 69 1HD1 LEU 69 -8.637 -5.888 -3.763 506 HD12 LEU 69 2HD1 LEU 69 -8.255 -7.305 -2.786 507 HD13 LEU 69 3HD1 LEU 69 -7.627 -5.723 -2.327 508 HD21 LEU 69 1HD2 LEU 69 -9.550 -3.890 -2.235 509 HD22 LEU 69 2HD2 LEU 69 -8.969 -4.432 -0.660 510 HD23 LEU 69 3HD2 LEU 69 -10.702 -4.351 -0.982 511 H HIS 70 H HIS 70 -13.931 -4.612 -2.586 512 HA HIS 70 HA HIS 70 -15.963 -6.278 -3.672 513 HB2 HIS 70 1HB HIS 70 -15.484 -3.350 -3.452 514 HB3 HIS 70 2HB HIS 70 -16.636 -3.891 -4.670 515 HD1 HIS 70 1HD HIS 70 -18.604 -2.833 -3.366 516 HD2 HIS 70 2HD HIS 70 -16.554 -5.773 -1.264 517 HE1 HIS 70 1HE HIS 70 -20.060 -3.387 -1.392 518 HE2 HIS 70 2HE HIS 70 -18.760 -5.107 -0.090 519 H LYS 71 H LYS 71 -15.819 -7.344 -5.523 520 HA LYS 71 HA LYS 71 -13.878 -6.933 -7.491 521 HB2 LYS 71 1HB LYS 71 -16.421 -8.477 -7.328 522 HB3 LYS 71 2HB LYS 71 -15.702 -8.245 -8.916 523 HG2 LYS 71 1HG LYS 71 -13.534 -9.101 -7.766 524 HG3 LYS 71 2HG LYS 71 -14.652 -9.751 -6.564 525 HD2 LYS 71 1HD LYS 71 -15.257 -10.253 -9.428 526 HD3 LYS 71 2HD LYS 71 -13.912 -11.140 -8.706 527 HE2 LYS 71 1HE LYS 71 -15.634 -11.618 -6.801 528 HE3 LYS 71 2HE LYS 71 -16.824 -11.226 -8.041 529 HZ1 LYS 71 1HZ LYS 71 -14.950 -13.482 -7.915 530 HZ2 LYS 71 2HZ LYS 71 -15.439 -12.912 -9.430 531 HZ3 LYS 71 3HZ LYS 71 -16.591 -13.471 -8.325 532 H GLY 72 H GLY 72 -14.249 -6.345 -9.777 533 HA2 GLY 72 1HA GLY 72 -14.845 -4.803 -11.369 534 HA3 GLY 72 2HA GLY 72 -16.458 -4.883 -10.676 535 H THR 73 H THR 73 -13.608 -3.844 -8.914 536 HA THR 73 HA THR 73 -14.493 -1.053 -9.097 537 HB THR 73 HB THR 73 -14.037 -2.576 -6.530 538 HG1 THR 73 1HG THR 73 -16.145 -2.317 -6.280 539 HG21 THR 73 1HG2 THR 73 -14.355 0.406 -6.897 540 HG22 THR 73 2HG2 THR 73 -12.866 -0.416 -6.433 541 HG23 THR 73 3HG2 THR 73 -14.263 -0.448 -5.357 542 H THR 74 H THR 74 -12.874 0.441 -9.042 543 HA THR 74 HA THR 74 -10.169 -0.577 -9.299 544 HB THR 74 HB THR 74 -11.363 2.163 -9.712 545 HG1 THR 74 1HG THR 74 -11.342 1.580 -11.759 546 HG21 THR 74 1HG2 THR 74 -9.301 2.910 -9.135 547 HG22 THR 74 2HG2 THR 74 -8.896 2.388 -10.770 548 HG23 THR 74 3HG2 THR 74 -8.542 1.340 -9.397 549 H TYR 75 H TYR 75 -8.433 -0.020 -8.003 550 HA TYR 75 HA TYR 75 -9.004 1.514 -5.567 551 HB2 TYR 75 1HB TYR 75 -8.002 -1.301 -5.754 552 HB3 TYR 75 2HB TYR 75 -7.452 -0.279 -4.432 553 HD1 TYR 75 1HD TYR 75 -9.031 0.513 -2.732 554 HD2 TYR 75 2HD TYR 75 -10.274 -2.101 -5.851 555 HE1 TYR 75 1HE TYR 75 -11.085 0.004 -1.479 556 HE2 TYR 75 2HE TYR 75 -12.332 -2.616 -4.607 557 HH TYR 75 HH TYR 75 -13.458 -0.810 -2.087 558 H ILE 76 H ILE 76 -7.056 2.256 -4.454 559 HA ILE 76 HA ILE 76 -4.719 2.444 -6.237 560 HB ILE 76 HB ILE 76 -5.755 4.689 -4.504 561 HG12 ILE 76 1HG1 ILE 76 -5.985 5.639 -7.008 562 HG13 ILE 76 2HG1 ILE 76 -6.278 3.934 -7.328 563 HG21 ILE 76 1HG2 ILE 76 -3.974 5.480 -6.600 564 HG22 ILE 76 2HG2 ILE 76 -3.803 5.683 -4.857 565 HG23 ILE 76 3HG2 ILE 76 -3.225 4.209 -5.633 566 HD11 ILE 76 1HD1 ILE 76 -7.982 4.110 -5.399 567 HD12 ILE 76 2HD1 ILE 76 -7.873 5.847 -5.687 568 HD13 ILE 76 3HD1 ILE 76 -8.397 4.769 -6.980 569 H PHE 77 H PHE 77 -3.021 1.531 -5.309 570 HA PHE 77 HA PHE 77 -2.851 1.482 -2.378 571 HB2 PHE 77 1HB PHE 77 -1.631 -0.246 -4.523 572 HB3 PHE 77 2HB PHE 77 -1.040 -0.273 -2.865 573 HD1 PHE 77 1HD PHE 77 -3.862 -1.065 -5.066 574 HD2 PHE 77 2HD PHE 77 -2.315 -1.284 -1.106 575 HE1 PHE 77 1HE PHE 77 -5.620 -2.680 -4.472 576 HE2 PHE 77 2HE PHE 77 -4.070 -2.901 -0.507 577 HZ PHE 77 HZ PHE 77 -5.725 -3.602 -2.190 578 H ARG 78 H ARG 78 -1.121 2.311 -1.291 579 HA ARG 78 HA ARG 78 1.122 3.402 -2.812 580 HB2 ARG 78 1HB ARG 78 -0.599 5.033 -0.937 581 HB3 ARG 78 2HB ARG 78 0.952 5.560 -1.578 582 HG2 ARG 78 1HG ARG 78 0.102 5.611 -3.803 583 HG3 ARG 78 2HG ARG 78 -1.401 4.832 -3.303 584 HD2 ARG 78 1HD ARG 78 -1.875 6.800 -1.863 585 HD3 ARG 78 2HD ARG 78 -0.436 7.579 -2.521 586 HE ARG 78 HE ARG 78 -2.065 6.799 -4.654 587 HH11 ARG 78 2HH1 ARG 78 -2.082 9.042 -1.992 588 HH12 ARG 78 1HH1 ARG 78 -3.084 10.199 -2.803 589 HH21 ARG 78 2HH2 ARG 78 -3.386 8.314 -5.732 590 HH22 ARG 78 1HH2 ARG 78 -3.827 9.783 -4.930 591 H LEU 79 H LEU 79 2.998 3.016 -1.825 592 HA LEU 79 HA LEU 79 2.963 2.445 1.065 593 HB2 LEU 79 1HB LEU 79 3.268 0.431 -0.377 594 HB3 LEU 79 2HB LEU 79 4.757 1.155 -0.984 595 HG LEU 79 HG LEU 79 5.593 1.139 1.400 596 HD11 LEU 79 1HD1 LEU 79 3.913 -1.038 2.233 597 HD12 LEU 79 2HD1 LEU 79 2.947 0.406 1.932 598 HD13 LEU 79 3HD1 LEU 79 4.295 0.468 3.068 599 HD21 LEU 79 1HD2 LEU 79 5.119 -1.223 -0.328 600 HD22 LEU 79 2HD2 LEU 79 5.725 -1.515 1.302 601 HD23 LEU 79 3HD2 LEU 79 6.632 -0.483 0.195 602 H ALA 80 H ALA 80 4.873 2.977 2.239 603 HA ALA 80 HA ALA 80 6.806 4.701 0.873 604 HB1 ALA 80 1HB ALA 80 5.382 6.373 1.632 605 HB2 ALA 80 2HB ALA 80 5.023 5.521 3.135 606 HB3 ALA 80 3HB ALA 80 6.600 6.274 2.904 607 H ALA 81 H ALA 81 8.833 4.784 1.832 608 HA ALA 81 HA ALA 81 9.373 2.626 3.712 609 HB1 ALA 81 1HB ALA 81 11.522 2.607 2.932 610 HB2 ALA 81 2HB ALA 81 10.687 3.249 1.516 611 HB3 ALA 81 3HB ALA 81 11.539 4.341 2.609 612 H LYS 82 H LYS 82 10.463 2.894 5.672 613 HA LYS 82 HA LYS 82 10.585 5.655 6.692 614 HB2 LYS 82 1HB LYS 82 8.640 4.165 7.525 615 HB3 LYS 82 2HB LYS 82 9.877 3.312 8.439 616 HG2 LYS 82 1HG LYS 82 10.477 5.770 9.215 617 HG3 LYS 82 2HG LYS 82 8.781 6.041 8.810 618 HD2 LYS 82 1HD LYS 82 9.557 3.700 10.501 619 HD3 LYS 82 2HD LYS 82 9.439 5.306 11.222 620 HE2 LYS 82 1HE LYS 82 7.302 4.550 11.548 621 HE3 LYS 82 2HE LYS 82 7.123 5.336 9.980 622 HZ1 LYS 82 1HZ LYS 82 7.784 2.466 10.169 623 HZ2 LYS 82 2HZ LYS 82 7.086 3.310 8.880 624 HZ3 LYS 82 3HZ LYS 82 6.180 2.995 10.274 625 H ASN 83 H ASN 83 12.561 6.209 7.303 626 HA ASN 83 HA ASN 83 14.402 4.087 8.196 627 HB2 ASN 83 1HB ASN 83 16.243 5.418 7.294 628 HB3 ASN 83 2HB ASN 83 15.062 5.071 6.034 629 HD21 ASN 83 1HD2 ASN 83 16.251 6.905 5.044 630 HD22 ASN 83 2HD2 ASN 83 15.681 8.502 5.376 631 H ARG 84 H ARG 84 16.399 5.379 9.324 632 HA ARG 84 HA ARG 84 15.584 6.038 11.858 633 HB2 ARG 84 1HB ARG 84 18.050 6.678 10.287 634 HB3 ARG 84 2HB ARG 84 17.837 7.390 11.881 635 HG2 ARG 84 1HG ARG 84 17.471 4.455 11.571 636 HG3 ARG 84 2HG ARG 84 19.106 5.119 11.563 637 HD2 ARG 84 1HD ARG 84 17.079 5.698 13.713 638 HD3 ARG 84 2HD ARG 84 18.253 4.386 13.810 639 HE ARG 84 HE ARG 84 19.396 6.987 13.309 640 HH11 ARG 84 2HH1 ARG 84 18.404 4.676 15.716 641 HH12 ARG 84 1HH1 ARG 84 19.443 5.316 16.946 642 HH21 ARG 84 2HH2 ARG 84 20.768 7.839 14.920 643 HH22 ARG 84 1HH2 ARG 84 20.786 7.116 16.492 644 H ALA 85 H ALA 85 15.690 8.067 9.032 645 HA ALA 85 HA ALA 85 15.316 10.520 10.518 646 HB1 ALA 85 1HB ALA 85 16.563 10.808 8.558 647 HB2 ALA 85 2HB ALA 85 15.431 9.859 7.593 648 HB3 ALA 85 3HB ALA 85 14.971 11.461 8.169 649 H GLY 86 H GLY 86 13.348 8.136 8.917 650 HA2 GLY 86 1HA GLY 86 11.014 8.160 9.907 651 HA3 GLY 86 2HA GLY 86 10.969 9.828 9.357 652 H LEU 87 H LEU 87 9.013 9.010 8.237 653 HA LEU 87 HA LEU 87 9.232 7.157 6.100 654 HB2 LEU 87 1HB LEU 87 7.185 9.339 6.455 655 HB3 LEU 87 2HB LEU 87 7.027 7.893 5.461 656 HG LEU 87 HG LEU 87 7.432 7.617 8.408 657 HD11 LEU 87 1HD1 LEU 87 4.649 7.688 7.445 658 HD12 LEU 87 2HD1 LEU 87 5.464 9.247 7.572 659 HD13 LEU 87 3HD1 LEU 87 5.335 8.202 8.987 660 HD21 LEU 87 1HD2 LEU 87 7.057 5.480 7.950 661 HD22 LEU 87 2HD2 LEU 87 6.990 5.885 6.234 662 HD23 LEU 87 3HD2 LEU 87 5.511 5.876 7.197 663 H GLY 88 H GLY 88 9.233 7.534 3.851 664 HA2 GLY 88 1HA GLY 88 10.218 10.211 3.074 665 HA3 GLY 88 2HA GLY 88 10.902 8.729 2.423 666 H GLU 89 H GLU 89 10.434 9.096 0.291 667 HA GLU 89 HA GLU 89 8.072 10.117 -0.757 668 HB2 GLU 89 1HB GLU 89 10.281 8.430 -1.821 669 HB3 GLU 89 2HB GLU 89 8.807 8.535 -2.773 670 HG2 GLU 89 1HG GLU 89 10.022 11.057 -1.785 671 HG3 GLU 89 2HG GLU 89 10.806 10.211 -3.119 672 H GLU 90 H GLU 90 6.413 8.963 -2.025 673 HA GLU 90 HA GLU 90 5.784 6.310 -0.921 674 HB2 GLU 90 1HB GLU 90 3.401 6.964 -0.824 675 HB3 GLU 90 2HB GLU 90 4.407 7.912 0.263 676 HG2 GLU 90 1HG GLU 90 4.116 9.837 -0.914 677 HG3 GLU 90 2HG GLU 90 3.889 8.998 -2.448 678 H PHE 91 H PHE 91 5.098 4.830 -2.360 679 HA PHE 91 HA PHE 91 5.129 5.561 -5.162 680 HB2 PHE 91 1HB PHE 91 6.260 3.501 -4.297 681 HB3 PHE 91 2HB PHE 91 4.672 2.840 -3.925 682 HD1 PHE 91 1HD PHE 91 6.576 4.301 -6.776 683 HD2 PHE 91 2HD PHE 91 3.635 1.507 -5.487 684 HE1 PHE 91 1HE PHE 91 6.414 3.420 -9.067 685 HE2 PHE 91 2HE PHE 91 3.469 0.621 -7.776 686 HZ PHE 91 HZ PHE 91 4.859 1.577 -9.570 687 H GLU 92 H GLU 92 3.441 4.721 -6.640 688 HA GLU 92 HA GLU 92 0.785 4.524 -5.419 689 HB2 GLU 92 1HB GLU 92 1.119 6.888 -6.012 690 HB3 GLU 92 2HB GLU 92 1.483 6.421 -7.667 691 HG2 GLU 92 1HG GLU 92 -0.831 5.379 -7.721 692 HG3 GLU 92 2HG GLU 92 -1.138 6.250 -6.220 693 H LYS 93 H LYS 93 -0.380 2.936 -6.281 694 HA LYS 93 HA LYS 93 0.142 2.106 -9.045 695 HB2 LYS 93 1HB LYS 93 1.430 0.527 -7.838 696 HB3 LYS 93 2HB LYS 93 0.193 0.346 -6.601 697 HG2 LYS 93 1HG LYS 93 0.289 -1.601 -8.057 698 HG3 LYS 93 2HG LYS 93 -1.264 -0.773 -8.196 699 HD2 LYS 93 1HD LYS 93 -0.657 0.193 -10.281 700 HD3 LYS 93 2HD LYS 93 1.027 -0.303 -10.095 701 HE2 LYS 93 1HE LYS 93 0.045 -2.702 -10.015 702 HE3 LYS 93 2HE LYS 93 -1.379 -1.963 -10.746 703 HZ1 LYS 93 1HZ LYS 93 0.844 -2.853 -12.065 704 HZ2 LYS 93 2HZ LYS 93 1.029 -1.172 -12.057 705 HZ3 LYS 93 3HZ LYS 93 -0.370 -1.865 -12.708 706 H GLU 94 H GLU 94 -1.671 1.840 -10.179 707 HA GLU 94 HA GLU 94 -4.211 1.712 -8.704 708 HB2 GLU 94 1HB GLU 94 -3.964 3.666 -10.156 709 HB3 GLU 94 2HB GLU 94 -3.651 2.619 -11.533 710 HG2 GLU 94 1HG GLU 94 -5.846 1.925 -11.678 711 HG3 GLU 94 2HG GLU 94 -6.196 2.341 -10.001 712 H ILE 95 H ILE 95 -5.546 0.019 -8.931 713 HA ILE 95 HA ILE 95 -5.103 -1.863 -11.134 714 HB ILE 95 HB ILE 95 -5.117 -3.784 -9.727 715 HG12 ILE 95 1HG1 ILE 95 -6.692 -3.154 -8.034 716 HG13 ILE 95 2HG1 ILE 95 -5.177 -3.532 -7.222 717 HG21 ILE 95 1HG2 ILE 95 -2.935 -3.547 -9.412 718 HG22 ILE 95 2HG2 ILE 95 -3.108 -1.800 -9.572 719 HG23 ILE 95 3HG2 ILE 95 -3.233 -2.556 -7.984 720 HD11 ILE 95 1HD1 ILE 95 -6.563 -0.933 -7.545 721 HD12 ILE 95 2HD1 ILE 95 -5.736 -1.615 -6.143 722 HD13 ILE 95 3HD1 ILE 95 -4.801 -0.937 -7.476 723 H ARG 96 H ARG 96 -6.901 -3.684 -10.894 724 HA ARG 96 HA ARG 96 -9.428 -2.626 -9.932 725 HB2 ARG 96 1HB ARG 96 -9.043 -1.741 -12.287 726 HB3 ARG 96 2HB ARG 96 -9.178 -3.407 -12.833 727 HG2 ARG 96 1HG ARG 96 -11.427 -3.538 -12.296 728 HG3 ARG 96 2HG ARG 96 -11.339 -2.179 -11.174 729 HD2 ARG 96 1HD ARG 96 -12.506 -1.624 -13.282 730 HD3 ARG 96 2HD ARG 96 -11.079 -0.628 -12.997 731 HE ARG 96 HE ARG 96 -10.165 -2.680 -14.538 732 HH11 ARG 96 2HH1 ARG 96 -12.719 -0.334 -14.847 733 HH12 ARG 96 1HH1 ARG 96 -12.641 -0.285 -16.578 734 HH21 ARG 96 2HH2 ARG 96 -10.053 -2.624 -16.815 735 HH22 ARG 96 1HH2 ARG 96 -11.125 -1.588 -17.696 736 H THR 97 H THR 97 -10.445 -4.240 -8.962 737 HA THR 97 HA THR 97 -9.600 -6.916 -9.078 738 HB THR 97 HB THR 97 -11.873 -7.371 -7.958 739 HG1 THR 97 1HG THR 97 -12.672 -5.247 -7.075 740 HG21 THR 97 1HG2 THR 97 -10.885 -6.982 -5.958 741 HG22 THR 97 2HG2 THR 97 -10.508 -5.305 -6.353 742 HG23 THR 97 3HG2 THR 97 -9.484 -6.606 -6.960 743 HA PRO 98 HA PRO 98 -11.578 -8.389 -12.737 744 HB2 PRO 98 1HB PRO 98 -11.500 -11.045 -12.181 745 HB3 PRO 98 2HB PRO 98 -10.072 -10.122 -12.663 746 HG2 PRO 98 1HG PRO 98 -10.959 -10.949 -9.926 747 HG3 PRO 98 2HG PRO 98 -9.333 -10.984 -10.632 748 HD2 PRO 98 1HD PRO 98 -10.148 -9.026 -8.949 749 HD3 PRO 98 2HD PRO 98 -8.987 -8.736 -10.260 750 H GLU 99 H GLU 99 -13.700 -8.004 -12.961 751 HA GLU 99 HA GLU 99 -15.647 -8.727 -11.011 752 HB2 GLU 99 1HB GLU 99 -17.282 -8.007 -12.782 753 HB3 GLU 99 2HB GLU 99 -16.083 -6.799 -12.342 754 HG2 GLU 99 1HG GLU 99 -15.031 -6.898 -14.358 755 HG3 GLU 99 2HG GLU 99 -15.485 -8.578 -14.639 756 H ASP 100 H ASP 100 -16.779 -10.546 -10.791 757 HA ASP 100 HA ASP 100 -16.163 -12.924 -12.014 758 HB2 ASP 100 1HB ASP 100 -17.915 -13.849 -10.842 759 HB3 ASP 100 2HB ASP 100 -17.729 -12.331 -9.968 760 H LEU 101 H LEU 101 -17.679 -14.302 -13.359 761 HA LEU 101 HA LEU 101 -18.520 -12.729 -15.689 762 HB2 LEU 101 1HB LEU 101 -16.867 -14.362 -16.220 763 HB3 LEU 101 2HB LEU 101 -17.756 -15.622 -15.366 764 HG LEU 101 HG LEU 101 -19.571 -15.327 -17.117 765 HD11 LEU 101 1HD1 LEU 101 -17.350 -13.830 -18.501 766 HD12 LEU 101 2HD1 LEU 101 -18.894 -13.162 -17.974 767 HD13 LEU 101 3HD1 LEU 101 -18.849 -14.370 -19.257 768 HD21 LEU 101 1HD2 LEU 101 -17.093 -16.219 -18.485 769 HD22 LEU 101 2HD2 LEU 101 -18.664 -17.010 -18.352 770 HD23 LEU 101 3HD2 LEU 101 -17.545 -17.036 -16.988 771 H SER 102 H SER 102 -20.526 -13.024 -16.652 772 HA SER 102 HA SER 102 -22.488 -14.541 -15.060 773 HB2 SER 102 1HB SER 102 -22.543 -11.918 -15.037 774 HB3 SER 102 2HB SER 102 -23.285 -12.110 -16.626 775 HG SER 102 HG SER 102 -24.917 -12.080 -15.118 776 H GLY 103 H GLY 103 -24.492 -15.088 -16.323 777 HA2 GLY 103 1HA GLY 103 -25.329 -15.237 -18.697 778 HA3 GLY 103 2HA GLY 103 -23.722 -15.840 -19.074 779 HA PRO 104 HA PRO 104 -26.595 -19.422 -18.221 780 HB2 PRO 104 1HB PRO 104 -26.085 -20.726 -20.547 781 HB3 PRO 104 2HB PRO 104 -27.351 -19.503 -20.389 782 HG2 PRO 104 1HG PRO 104 -24.586 -19.234 -21.503 783 HG3 PRO 104 2HG PRO 104 -26.112 -18.582 -22.127 784 HD2 PRO 104 1HD PRO 104 -24.350 -17.078 -20.724 785 HD3 PRO 104 2HD PRO 104 -26.104 -16.810 -20.652 786 H SER 105 H SER 105 -25.608 -20.722 -16.811 787 HA SER 105 HA SER 105 -22.833 -21.427 -17.060 788 HB2 SER 105 1HB SER 105 -23.964 -21.023 -14.862 789 HB3 SER 105 2HB SER 105 -24.876 -22.513 -15.108 790 HG SER 105 HG SER 105 -22.515 -23.323 -15.466 791 H SER 106 H SER 106 -25.916 -23.176 -17.253 792 HA SER 106 HA SER 106 -24.768 -25.709 -17.785 793 HB2 SER 106 1HB SER 106 -27.066 -26.331 -18.526 794 HB3 SER 106 2HB SER 106 -27.040 -25.545 -16.948 795 HG SER 106 HG SER 106 -27.379 -23.953 -19.223 796 H GLY 107 H GLY 107 -24.705 -26.885 -19.756 797 HA2 GLY 107 1HA GLY 107 -24.809 -25.228 -22.194 798 HA3 GLY 107 2HA GLY 107 -23.399 -26.220 -21.850 Start of MODEL 11 1 H1 GLY 1 H GLY 1 14.221 24.542 -2.843 2 HA2 GLY 1 1HA GLY 1 16.838 24.022 -4.117 3 HA3 GLY 1 2HA GLY 1 16.681 24.599 -2.464 4 H SER 2 H SER 2 18.027 22.214 -3.392 5 HA SER 2 HA SER 2 16.505 20.240 -1.834 6 HB2 SER 2 1HB SER 2 17.805 19.850 -4.525 7 HB3 SER 2 2HB SER 2 17.498 18.493 -3.442 8 HG SER 2 HG SER 2 15.799 18.953 -4.998 9 H SER 3 H SER 3 17.643 19.614 -0.136 10 HA SER 3 HA SER 3 20.581 19.735 -0.282 11 HB2 SER 3 1HB SER 3 18.738 19.946 2.110 12 HB3 SER 3 2HB SER 3 20.497 19.888 2.212 13 HG SER 3 HG SER 3 18.923 21.992 1.733 14 H GLY 4 H GLY 4 21.363 17.772 -0.723 15 HA2 GLY 4 1HA GLY 4 21.793 15.524 -0.553 16 HA3 GLY 4 2HA GLY 4 21.212 15.655 1.101 17 H SER 5 H SER 5 19.618 14.308 1.552 18 HA SER 5 HA SER 5 17.559 13.818 -0.486 19 HB2 SER 5 1HB SER 5 18.893 11.863 -0.663 20 HB3 SER 5 2HB SER 5 19.092 11.748 1.086 21 HG SER 5 HG SER 5 17.485 10.389 0.875 22 H SER 6 H SER 6 15.753 14.614 0.358 23 HA SER 6 HA SER 6 15.333 14.734 3.208 24 HB2 SER 6 1HB SER 6 14.598 16.570 1.721 25 HB3 SER 6 2HB SER 6 13.460 15.469 0.945 26 HG SER 6 HG SER 6 13.340 15.692 3.720 27 H GLY 7 H GLY 7 15.446 12.358 3.467 28 HA2 GLY 7 1HA GLY 7 14.072 10.634 4.312 29 HA3 GLY 7 2HA GLY 7 12.743 11.248 3.339 30 HA PRO 8 HA PRO 8 14.896 7.512 1.354 31 HB2 PRO 8 1HB PRO 8 12.929 5.688 1.772 32 HB3 PRO 8 2HB PRO 8 14.252 5.952 2.913 33 HG2 PRO 8 1HG PRO 8 11.447 6.995 2.992 34 HG3 PRO 8 2HG PRO 8 12.432 6.332 4.309 35 HD2 PRO 8 1HD PRO 8 12.087 8.993 3.945 36 HD3 PRO 8 2HD PRO 8 13.582 8.306 4.612 37 H GLY 9 H GLY 9 13.953 6.191 -0.473 38 HA2 GLY 9 1HA GLY 9 12.209 7.932 -2.046 39 HA3 GLY 9 2HA GLY 9 13.181 6.603 -2.662 40 H ARG 10 H ARG 10 10.662 6.797 -3.568 41 HA ARG 10 HA ARG 10 8.710 5.444 -2.035 42 HB2 ARG 10 1HB ARG 10 7.436 5.304 -4.083 43 HB3 ARG 10 2HB ARG 10 8.201 6.885 -3.990 44 HG2 ARG 10 1HG ARG 10 10.064 5.781 -5.421 45 HG3 ARG 10 2HG ARG 10 8.816 4.590 -5.794 46 HD2 ARG 10 1HD ARG 10 8.119 7.469 -6.029 47 HD3 ARG 10 2HD ARG 10 9.163 6.766 -7.264 48 HE ARG 10 HE ARG 10 6.755 5.270 -6.711 49 HH11 ARG 10 2HH1 ARG 10 8.251 7.756 -8.636 50 HH12 ARG 10 1HH1 ARG 10 7.115 7.615 -9.936 51 HH21 ARG 10 2HH2 ARG 10 5.253 5.075 -8.416 52 HH22 ARG 10 1HH2 ARG 10 5.409 6.090 -9.810 53 HA PRO 11 HA PRO 11 10.341 1.327 -2.358 54 HB2 PRO 11 1HB PRO 11 8.219 0.069 -1.223 55 HB3 PRO 11 2HB PRO 11 9.415 0.972 -0.285 56 HG2 PRO 11 1HG PRO 11 6.697 1.823 -1.209 57 HG3 PRO 11 2HG PRO 11 7.473 2.074 0.366 58 HD2 PRO 11 1HD PRO 11 7.355 4.008 -1.525 59 HD3 PRO 11 2HD PRO 11 8.712 3.865 -0.389 60 H THR 12 H THR 12 9.918 -0.604 -3.507 61 HA THR 12 HA THR 12 8.218 -0.222 -5.824 62 HB THR 12 HB THR 12 10.114 -2.469 -5.116 63 HG1 THR 12 1HG THR 12 11.006 -0.338 -5.640 64 HG21 THR 12 1HG2 THR 12 9.822 -2.725 -7.749 65 HG22 THR 12 2HG2 THR 12 8.227 -2.071 -7.375 66 HG23 THR 12 3HG2 THR 12 8.773 -3.561 -6.606 67 H MET 13 H MET 13 6.107 -0.551 -5.358 68 HA MET 13 HA MET 13 5.333 -2.894 -3.793 69 HB2 MET 13 1HB MET 13 4.338 -0.635 -3.331 70 HB3 MET 13 2HB MET 13 3.560 -0.716 -4.906 71 HG2 MET 13 1HG MET 13 2.150 -2.451 -4.257 72 HG3 MET 13 2HG MET 13 3.152 -2.868 -2.869 73 HE1 MET 13 1HE MET 13 0.467 0.774 -3.346 74 HE2 MET 13 2HE MET 13 2.183 1.171 -3.264 75 HE3 MET 13 3HE MET 13 1.588 0.085 -4.521 76 H MET 14 H MET 14 4.306 -4.637 -4.622 77 HA MET 14 HA MET 14 3.578 -4.568 -7.473 78 HB2 MET 14 1HB MET 14 4.826 -6.939 -6.082 79 HB3 MET 14 2HB MET 14 4.478 -6.773 -7.797 80 HG2 MET 14 1HG MET 14 6.133 -4.949 -7.923 81 HG3 MET 14 2HG MET 14 6.519 -5.220 -6.225 82 HE1 MET 14 1HE MET 14 8.590 -5.765 -5.958 83 HE2 MET 14 2HE MET 14 8.347 -7.451 -5.499 84 HE3 MET 14 3HE MET 14 9.564 -7.032 -6.705 85 H ILE 15 H ILE 15 1.398 -4.503 -7.288 86 HA ILE 15 HA ILE 15 0.044 -6.282 -5.419 87 HB ILE 15 HB ILE 15 -1.176 -4.293 -7.336 88 HG12 ILE 15 1HG1 ILE 15 -0.953 -3.796 -4.400 89 HG13 ILE 15 2HG1 ILE 15 0.469 -3.528 -5.401 90 HG21 ILE 15 1HG2 ILE 15 -3.141 -4.468 -5.895 91 HG22 ILE 15 2HG2 ILE 15 -2.712 -6.032 -6.586 92 HG23 ILE 15 3HG2 ILE 15 -2.313 -5.671 -4.907 93 HD11 ILE 15 1HD1 ILE 15 -2.146 -2.099 -5.409 94 HD12 ILE 15 2HD1 ILE 15 -0.507 -1.448 -5.358 95 HD13 ILE 15 3HD1 ILE 15 -1.144 -2.119 -6.859 96 H SER 16 H SER 16 -0.622 -8.234 -5.989 97 HA SER 16 HA SER 16 -1.323 -8.729 -8.805 98 HB2 SER 16 1HB SER 16 0.506 -10.291 -7.016 99 HB3 SER 16 2HB SER 16 -0.421 -11.135 -8.257 100 HG SER 16 HG SER 16 0.512 -9.269 -9.621 101 H THR 17 H THR 17 -3.148 -9.880 -9.155 102 HA THR 17 HA THR 17 -4.774 -10.509 -6.814 103 HB THR 17 HB THR 17 -6.657 -10.657 -8.336 104 HG1 THR 17 1HG THR 17 -4.710 -10.276 -10.386 105 HG21 THR 17 1HG2 THR 17 -4.934 -8.310 -8.183 106 HG22 THR 17 2HG2 THR 17 -6.681 -8.445 -7.976 107 HG23 THR 17 3HG2 THR 17 -5.993 -8.294 -9.593 108 H THR 18 H THR 18 -5.071 -12.515 -6.107 109 HA THR 18 HA THR 18 -4.378 -14.747 -7.904 110 HB THR 18 HB THR 18 -3.888 -16.057 -5.839 111 HG1 THR 18 1HG THR 18 -3.672 -14.887 -3.886 112 HG21 THR 18 1HG2 THR 18 -2.089 -13.762 -5.511 113 HG22 THR 18 2HG2 THR 18 -2.277 -14.309 -7.178 114 HG23 THR 18 3HG2 THR 18 -1.727 -15.434 -5.937 115 H ALA 19 H ALA 19 -6.206 -14.331 -4.867 116 HA ALA 19 HA ALA 19 -8.175 -16.259 -5.790 117 HB1 ALA 19 1HB ALA 19 -8.800 -16.513 -3.610 118 HB2 ALA 19 2HB ALA 19 -7.142 -15.958 -3.379 119 HB3 ALA 19 3HB ALA 19 -8.482 -14.826 -3.205 120 H MET 20 H MET 20 -10.539 -15.647 -5.095 121 HA MET 20 HA MET 20 -11.264 -13.380 -6.704 122 HB2 MET 20 1HB MET 20 -12.899 -15.351 -5.105 123 HB3 MET 20 2HB MET 20 -13.608 -14.054 -6.058 124 HG2 MET 20 1HG MET 20 -13.036 -15.025 -8.060 125 HG3 MET 20 2HG MET 20 -11.714 -15.951 -7.353 126 HE1 MET 20 1HE MET 20 -11.770 -18.020 -7.800 127 HE2 MET 20 2HE MET 20 -12.957 -19.244 -7.349 128 HE3 MET 20 3HE MET 20 -13.106 -18.395 -8.889 129 H ASN 21 H ASN 21 -11.559 -11.366 -6.027 130 HA ASN 21 HA ASN 21 -11.985 -9.564 -4.701 131 HB2 ASN 21 1HB ASN 21 -13.020 -11.395 -2.550 132 HB3 ASN 21 2HB ASN 21 -13.517 -9.748 -2.926 133 HD21 ASN 21 1HD2 ASN 21 -15.216 -9.450 -4.206 134 HD22 ASN 21 2HD2 ASN 21 -16.023 -10.691 -5.097 135 H THR 22 H THR 22 -9.473 -11.005 -4.596 136 HA THR 22 HA THR 22 -8.503 -9.936 -2.053 137 HB THR 22 HB THR 22 -7.326 -11.859 -1.397 138 HG1 THR 22 1HG THR 22 -6.536 -13.167 -2.852 139 HG21 THR 22 1HG2 THR 22 -9.785 -12.000 -1.035 140 HG22 THR 22 2HG2 THR 22 -9.002 -13.576 -1.157 141 HG23 THR 22 3HG2 THR 22 -9.911 -12.934 -2.525 142 H ALA 23 H ALA 23 -6.555 -8.958 -2.203 143 HA ALA 23 HA ALA 23 -5.048 -9.297 -4.713 144 HB1 ALA 23 1HB ALA 23 -6.005 -7.193 -4.984 145 HB2 ALA 23 2HB ALA 23 -5.812 -6.779 -3.280 146 HB3 ALA 23 3HB ALA 23 -4.403 -6.834 -4.339 147 H LEU 24 H LEU 24 -3.070 -10.048 -4.378 148 HA LEU 24 HA LEU 24 -1.933 -10.151 -1.746 149 HB2 LEU 24 1HB LEU 24 -1.633 -11.990 -3.301 150 HB3 LEU 24 2HB LEU 24 -0.805 -10.922 -4.434 151 HG LEU 24 HG LEU 24 1.052 -10.684 -2.872 152 HD11 LEU 24 1HD1 LEU 24 -0.851 -11.843 -1.031 153 HD12 LEU 24 2HD1 LEU 24 0.655 -10.984 -0.707 154 HD13 LEU 24 3HD1 LEU 24 0.680 -12.719 -1.022 155 HD21 LEU 24 1HD2 LEU 24 1.913 -12.967 -3.008 156 HD22 LEU 24 2HD2 LEU 24 1.113 -12.493 -4.507 157 HD23 LEU 24 3HD2 LEU 24 0.292 -13.561 -3.368 158 H LEU 25 H LEU 25 -0.552 -8.772 -0.834 159 HA LEU 25 HA LEU 25 0.536 -6.606 -2.494 160 HB2 LEU 25 1HB LEU 25 0.118 -6.765 0.487 161 HB3 LEU 25 2HB LEU 25 0.822 -5.392 -0.364 162 HG LEU 25 HG LEU 25 -2.004 -6.394 -0.712 163 HD11 LEU 25 1HD1 LEU 25 -1.915 -3.777 0.321 164 HD12 LEU 25 2HD1 LEU 25 -0.827 -4.753 1.307 165 HD13 LEU 25 3HD1 LEU 25 -2.511 -5.239 1.108 166 HD21 LEU 25 1HD2 LEU 25 -1.374 -5.372 -2.730 167 HD22 LEU 25 2HD2 LEU 25 -0.459 -4.109 -1.905 168 HD23 LEU 25 3HD2 LEU 25 -2.222 -4.116 -1.829 169 H GLN 26 H GLN 26 2.627 -6.630 -2.957 170 HA GLN 26 HA GLN 26 4.522 -7.744 -1.028 171 HB2 GLN 26 1HB GLN 26 4.504 -8.509 -3.953 172 HB3 GLN 26 2HB GLN 26 5.684 -9.022 -2.754 173 HG2 GLN 26 1HG GLN 26 4.262 -10.516 -1.782 174 HG3 GLN 26 2HG GLN 26 2.820 -9.614 -2.246 175 HE21 GLN 26 1HE2 GLN 26 4.386 -12.396 -2.747 176 HE22 GLN 26 2HE2 GLN 26 3.879 -12.758 -4.359 177 H TRP 27 H TRP 27 5.977 -6.225 -0.644 178 HA TRP 27 HA TRP 27 6.883 -4.543 -2.885 179 HB2 TRP 27 1HB TRP 27 7.139 -2.678 -1.239 180 HB3 TRP 27 2HB TRP 27 5.467 -3.163 -1.508 181 HD1 TRP 27 HD TRP 27 8.236 -3.331 1.148 182 HE1 TRP 27 1HE TRP 27 7.146 -3.810 3.430 183 HE3 TRP 27 3HE TRP 27 3.437 -4.170 -0.403 184 HZ2 TRP 27 2HZ TRP 27 4.591 -4.457 4.439 185 HZ3 TRP 27 3HZ TRP 27 1.731 -4.714 1.284 186 HH2 TRP 27 HH TRP 27 2.297 -4.855 3.654 187 H HIS 28 H HIS 28 8.996 -3.364 -2.225 188 HA HIS 28 HA HIS 28 10.705 -5.070 -0.570 189 HB2 HIS 28 1HB HIS 28 11.010 -4.549 -3.494 190 HB3 HIS 28 2HB HIS 28 12.464 -4.664 -2.508 191 HD1 HIS 28 1HD HIS 28 12.602 -6.985 -1.051 192 HD2 HIS 28 2HD HIS 28 10.066 -6.943 -4.341 193 HE1 HIS 28 1HE HIS 28 12.176 -9.402 -1.602 194 HE2 HIS 28 2HE HIS 28 10.708 -9.351 -3.648 195 HA PRO 29 HA PRO 29 12.477 -1.315 0.844 196 HB2 PRO 29 1HB PRO 29 15.060 -2.038 1.265 197 HB3 PRO 29 2HB PRO 29 13.731 -2.577 2.298 198 HG2 PRO 29 1HG PRO 29 15.103 -4.024 0.065 199 HG3 PRO 29 2HG PRO 29 14.605 -4.634 1.654 200 HD2 PRO 29 1HD PRO 29 13.169 -5.090 -0.596 201 HD3 PRO 29 2HD PRO 29 12.413 -4.913 1.001 202 HA PRO 30 HA PRO 30 14.128 0.666 -2.771 203 HB2 PRO 30 1HB PRO 30 14.568 3.096 -1.643 204 HB3 PRO 30 2HB PRO 30 12.957 2.522 -2.090 205 HG2 PRO 30 1HG PRO 30 14.285 2.538 0.593 206 HG3 PRO 30 2HG PRO 30 12.618 2.965 0.168 207 HD2 PRO 30 1HD PRO 30 13.280 0.568 1.238 208 HD3 PRO 30 2HD PRO 30 11.941 0.763 0.089 209 H LYS 31 H LYS 31 16.070 2.222 -3.182 210 HA LYS 31 HA LYS 31 18.395 1.166 -1.709 211 HB2 LYS 31 1HB LYS 31 18.071 0.527 -4.178 212 HB3 LYS 31 2HB LYS 31 18.485 2.199 -4.536 213 HG2 LYS 31 1HG LYS 31 20.566 1.662 -3.020 214 HG3 LYS 31 2HG LYS 31 20.190 0.002 -3.489 215 HD2 LYS 31 1HD LYS 31 20.308 2.109 -5.597 216 HD3 LYS 31 2HD LYS 31 21.818 1.481 -4.931 217 HE2 LYS 31 1HE LYS 31 19.625 -0.266 -6.031 218 HE3 LYS 31 2HE LYS 31 20.982 0.315 -6.995 219 HZ1 LYS 31 1HZ LYS 31 20.883 -1.879 -5.221 220 HZ2 LYS 31 2HZ LYS 31 22.054 -0.783 -4.687 221 HZ3 LYS 31 3HZ LYS 31 22.135 -1.408 -6.257 222 H GLU 32 H GLU 32 16.657 3.952 -2.639 223 HA GLU 32 HA GLU 32 18.913 5.740 -2.141 224 HB2 GLU 32 1HB GLU 32 16.074 6.333 -2.996 225 HB3 GLU 32 2HB GLU 32 17.346 7.534 -2.816 226 HG2 GLU 32 1HG GLU 32 18.618 5.992 -4.506 227 HG3 GLU 32 2HG GLU 32 16.990 5.446 -4.905 228 H LEU 33 H LEU 33 17.574 4.074 -0.047 229 HA LEU 33 HA LEU 33 16.290 6.055 1.650 230 HB2 LEU 33 1HB LEU 33 15.295 3.891 1.655 231 HB3 LEU 33 2HB LEU 33 16.845 3.115 1.975 232 HG LEU 33 HG LEU 33 15.700 5.010 3.983 233 HD11 LEU 33 1HD1 LEU 33 14.977 2.415 4.757 234 HD12 LEU 33 2HD1 LEU 33 14.417 2.604 3.096 235 HD13 LEU 33 3HD1 LEU 33 13.908 3.753 4.333 236 HD21 LEU 33 1HD2 LEU 33 16.812 2.974 5.338 237 HD22 LEU 33 2HD2 LEU 33 17.713 4.389 4.795 238 HD23 LEU 33 3HD2 LEU 33 17.758 2.899 3.851 239 HA PRO 34 HA PRO 34 20.349 7.012 3.329 240 HB2 PRO 34 1HB PRO 34 19.498 9.146 4.775 241 HB3 PRO 34 2HB PRO 34 19.810 9.226 3.037 242 HG2 PRO 34 1HG PRO 34 17.206 8.919 4.481 243 HG3 PRO 34 2HG PRO 34 17.597 9.939 3.084 244 HD2 PRO 34 1HD PRO 34 16.317 7.565 2.842 245 HD3 PRO 34 2HD PRO 34 17.419 8.187 1.596 246 H GLY 35 H GLY 35 20.587 5.201 4.672 247 HA2 GLY 35 1HA GLY 35 21.034 5.094 7.159 248 HA3 GLY 35 2HA GLY 35 19.315 5.421 7.329 249 H GLU 36 H GLU 36 18.395 3.626 8.078 250 HA GLU 36 HA GLU 36 18.806 1.145 6.572 251 HB2 GLU 36 1HB GLU 36 20.138 0.543 8.340 252 HB3 GLU 36 2HB GLU 36 19.296 1.593 9.472 253 HG2 GLU 36 1HG GLU 36 18.840 -0.625 10.128 254 HG3 GLU 36 2HG GLU 36 17.370 -0.008 9.376 255 H LEU 37 H LEU 37 17.018 -0.171 6.410 256 HA LEU 37 HA LEU 37 14.489 1.039 6.639 257 HB2 LEU 37 1HB LEU 37 15.145 -0.793 5.059 258 HB3 LEU 37 2HB LEU 37 15.054 -1.911 6.418 259 HG LEU 37 HG LEU 37 12.602 -0.953 6.600 260 HD11 LEU 37 1HD1 LEU 37 12.014 -0.868 3.954 261 HD12 LEU 37 2HD1 LEU 37 13.558 -0.018 3.990 262 HD13 LEU 37 3HD1 LEU 37 12.216 0.551 4.982 263 HD21 LEU 37 1HD2 LEU 37 13.101 -2.862 4.355 264 HD22 LEU 37 2HD2 LEU 37 11.862 -2.905 5.610 265 HD23 LEU 37 3HD2 LEU 37 13.535 -3.304 6.006 266 H LEU 38 H LEU 38 13.162 1.244 8.314 267 HA LEU 38 HA LEU 38 13.529 -0.552 10.621 268 HB2 LEU 38 1HB LEU 38 12.675 2.339 10.659 269 HB3 LEU 38 2HB LEU 38 12.843 1.290 12.065 270 HG LEU 38 HG LEU 38 15.191 1.875 10.294 271 HD11 LEU 38 1HD1 LEU 38 15.771 3.763 11.658 272 HD12 LEU 38 2HD1 LEU 38 14.340 3.533 12.662 273 HD13 LEU 38 3HD1 LEU 38 14.165 4.027 10.978 274 HD21 LEU 38 1HD2 LEU 38 15.382 1.562 13.225 275 HD22 LEU 38 2HD2 LEU 38 16.432 0.954 11.945 276 HD23 LEU 38 3HD2 LEU 38 14.917 0.128 12.309 277 H GLY 39 H GLY 39 11.361 0.857 8.349 278 HA2 GLY 39 1HA GLY 39 9.310 -0.941 8.695 279 HA3 GLY 39 2HA GLY 39 8.942 0.377 9.797 280 H TYR 40 H TYR 40 7.054 0.080 8.075 281 HA TYR 40 HA TYR 40 7.162 2.438 6.455 282 HB2 TYR 40 1HB TYR 40 6.371 0.849 4.424 283 HB3 TYR 40 2HB TYR 40 8.037 1.367 4.652 284 HD1 TYR 40 1HD TYR 40 6.025 -1.255 6.390 285 HD2 TYR 40 2HD TYR 40 9.401 -0.371 3.955 286 HE1 TYR 40 1HE TYR 40 6.731 -3.607 6.526 287 HE2 TYR 40 2HE TYR 40 10.115 -2.721 4.083 288 HH TYR 40 HH TYR 40 8.344 -5.075 6.053 289 H ARG 41 H ARG 41 5.114 3.096 5.714 290 HA ARG 41 HA ARG 41 2.888 1.658 6.987 291 HB2 ARG 41 1HB ARG 41 3.027 3.851 7.870 292 HB3 ARG 41 2HB ARG 41 3.289 4.558 6.282 293 HG2 ARG 41 1HG ARG 41 0.934 3.702 5.731 294 HG3 ARG 41 2HG ARG 41 0.751 3.515 7.477 295 HD2 ARG 41 1HD ARG 41 1.710 6.095 6.292 296 HD3 ARG 41 2HD ARG 41 -0.011 5.720 6.371 297 HE ARG 41 HE ARG 41 1.067 5.296 8.905 298 HH11 ARG 41 2HH1 ARG 41 0.520 7.930 6.695 299 HH12 ARG 41 1HH1 ARG 41 0.351 9.116 7.947 300 HH21 ARG 41 2HH2 ARG 41 0.846 6.848 10.561 301 HH22 ARG 41 1HH2 ARG 41 0.537 8.500 10.145 302 H LEU 42 H LEU 42 0.987 1.251 5.857 303 HA LEU 42 HA LEU 42 1.198 1.521 2.931 304 HB2 LEU 42 1HB LEU 42 1.189 -0.802 4.172 305 HB3 LEU 42 2HB LEU 42 -0.552 -0.528 4.198 306 HG LEU 42 HG LEU 42 1.216 -0.779 1.768 307 HD11 LEU 42 1HD1 LEU 42 0.506 -2.845 3.061 308 HD12 LEU 42 2HD1 LEU 42 0.095 -2.801 1.347 309 HD13 LEU 42 3HD1 LEU 42 -1.142 -2.465 2.558 310 HD21 LEU 42 1HD2 LEU 42 -1.220 -0.760 0.722 311 HD22 LEU 42 2HD2 LEU 42 -0.289 0.721 0.950 312 HD23 LEU 42 3HD2 LEU 42 -1.538 0.275 2.115 313 H GLN 43 H GLN 43 -0.406 2.517 1.862 314 HA GLN 43 HA GLN 43 -2.938 3.012 3.263 315 HB2 GLN 43 1HB GLN 43 -1.460 5.115 1.676 316 HB3 GLN 43 2HB GLN 43 -2.964 5.324 2.563 317 HG2 GLN 43 1HG GLN 43 -1.734 4.828 4.658 318 HG3 GLN 43 2HG GLN 43 -0.241 4.789 3.722 319 HE21 GLN 43 1HE2 GLN 43 -2.819 6.792 4.931 320 HE22 GLN 43 2HE2 GLN 43 -2.026 8.307 4.686 321 H TYR 44 H TYR 44 -4.568 2.285 2.084 322 HA TYR 44 HA TYR 44 -4.574 2.702 -0.802 323 HB2 TYR 44 1HB TYR 44 -5.139 0.382 -1.292 324 HB3 TYR 44 2HB TYR 44 -3.580 0.465 -0.480 325 HD1 TYR 44 1HD TYR 44 -7.193 -0.164 0.159 326 HD2 TYR 44 2HD TYR 44 -3.186 -0.812 1.435 327 HE1 TYR 44 1HE TYR 44 -7.995 -1.765 1.846 328 HE2 TYR 44 2HE TYR 44 -3.977 -2.415 3.124 329 HH TYR 44 HH TYR 44 -6.512 -2.652 4.390 330 H CYS 45 H CYS 45 -6.571 3.071 -1.622 331 HA CYS 45 HA CYS 45 -8.949 2.316 -0.153 332 HB2 CYS 45 1HB CYS 45 -9.797 4.711 -0.199 333 HB3 CYS 45 2HB CYS 45 -8.550 4.356 0.990 334 HG CYS 45 HG CYS 45 -8.366 6.284 -1.788 335 H ARG 46 H ARG 46 -10.946 3.286 -1.357 336 HA ARG 46 HA ARG 46 -10.813 2.349 -4.033 337 HB2 ARG 46 1HB ARG 46 -12.903 3.534 -2.280 338 HB3 ARG 46 2HB ARG 46 -13.181 3.586 -4.016 339 HG2 ARG 46 1HG ARG 46 -12.510 1.029 -3.817 340 HG3 ARG 46 2HG ARG 46 -13.101 1.271 -2.172 341 HD2 ARG 46 1HD ARG 46 -14.807 0.476 -3.857 342 HD3 ARG 46 2HD ARG 46 -15.243 1.913 -2.932 343 HE ARG 46 HE ARG 46 -13.990 2.548 -5.423 344 HH11 ARG 46 2HH1 ARG 46 -17.003 1.655 -3.924 345 HH12 ARG 46 1HH1 ARG 46 -17.981 2.383 -5.154 346 HH21 ARG 46 2HH2 ARG 46 -15.267 3.510 -7.050 347 HH22 ARG 46 1HH2 ARG 46 -16.993 3.437 -6.932 348 H ALA 47 H ALA 47 -11.534 3.622 -5.930 349 HA ALA 47 HA ALA 47 -9.908 5.928 -6.253 350 HB1 ALA 47 1HB ALA 47 -10.079 5.011 -8.292 351 HB2 ALA 47 2HB ALA 47 -11.648 4.283 -7.944 352 HB3 ALA 47 3HB ALA 47 -11.548 5.978 -8.420 353 H ASP 48 H ASP 48 -12.767 5.611 -4.679 354 HA ASP 48 HA ASP 48 -13.508 8.409 -5.229 355 HB2 ASP 48 1HB ASP 48 -15.107 6.455 -5.996 356 HB3 ASP 48 2HB ASP 48 -15.567 6.451 -4.295 357 H GLU 49 H GLU 49 -11.856 6.886 -3.130 358 HA GLU 49 HA GLU 49 -13.294 7.835 -0.743 359 HB2 GLU 49 1HB GLU 49 -11.383 5.599 -1.222 360 HB3 GLU 49 2HB GLU 49 -11.356 6.381 0.352 361 HG2 GLU 49 1HG GLU 49 -13.847 5.965 0.454 362 HG3 GLU 49 2HG GLU 49 -13.634 4.929 -0.956 363 H ALA 50 H ALA 50 -12.562 9.585 0.256 364 HA ALA 50 HA ALA 50 -10.024 10.743 -0.577 365 HB1 ALA 50 1HB ALA 50 -12.117 11.890 1.265 366 HB2 ALA 50 2HB ALA 50 -10.763 12.751 0.533 367 HB3 ALA 50 3HB ALA 50 -12.066 12.134 -0.481 368 H ARG 51 H ARG 51 -11.208 8.805 1.925 369 HA ARG 51 HA ARG 51 -9.001 9.599 3.706 370 HB2 ARG 51 1HB ARG 51 -11.519 8.072 4.396 371 HB3 ARG 51 2HB ARG 51 -10.267 8.569 5.527 372 HG2 ARG 51 1HG ARG 51 -10.780 10.905 5.100 373 HG3 ARG 51 2HG ARG 51 -12.004 10.431 3.921 374 HD2 ARG 51 1HD ARG 51 -12.176 9.330 6.681 375 HD3 ARG 51 2HD ARG 51 -12.644 11.009 6.413 376 HE ARG 51 HE ARG 51 -13.912 9.408 4.496 377 HH11 ARG 51 2HH1 ARG 51 -13.958 9.999 7.926 378 HH12 ARG 51 1HH1 ARG 51 -15.628 9.576 8.109 379 HH21 ARG 51 2HH2 ARG 51 -16.112 8.847 4.724 380 HH22 ARG 51 1HH2 ARG 51 -16.852 8.920 6.287 381 HA PRO 52 HA PRO 52 -7.484 5.626 2.100 382 HB2 PRO 52 1HB PRO 52 -4.886 6.148 2.689 383 HB3 PRO 52 2HB PRO 52 -5.679 6.749 1.228 384 HG2 PRO 52 1HG PRO 52 -5.145 8.164 3.811 385 HG3 PRO 52 2HG PRO 52 -4.955 8.757 2.150 386 HD2 PRO 52 1HD PRO 52 -7.095 9.385 3.686 387 HD3 PRO 52 2HD PRO 52 -7.203 9.212 1.923 388 H ASN 53 H ASN 53 -7.078 3.765 3.186 389 HA ASN 53 HA ASN 53 -7.281 3.793 6.049 390 HB2 ASN 53 1HB ASN 53 -6.961 1.576 4.024 391 HB3 ASN 53 2HB ASN 53 -7.025 1.276 5.758 392 HD21 ASN 53 1HD2 ASN 53 -8.806 1.549 2.969 393 HD22 ASN 53 2HD2 ASN 53 -10.377 1.723 3.667 394 H THR 54 H THR 54 -5.519 4.530 7.095 395 HA THR 54 HA THR 54 -2.845 3.968 6.239 396 HB THR 54 HB THR 54 -3.618 4.983 8.969 397 HG1 THR 54 1HG THR 54 -4.647 6.426 7.706 398 HG21 THR 54 1HG2 THR 54 -1.411 5.171 9.205 399 HG22 THR 54 2HG2 THR 54 -1.388 6.312 7.861 400 HG23 THR 54 3HG2 THR 54 -1.157 4.590 7.560 401 H ILE 55 H ILE 55 -1.596 2.287 6.740 402 HA ILE 55 HA ILE 55 -2.283 0.657 9.087 403 HB ILE 55 HB ILE 55 -1.591 -0.416 6.350 404 HG12 ILE 55 1HG1 ILE 55 -4.057 -1.145 7.870 405 HG13 ILE 55 2HG1 ILE 55 -4.005 0.419 7.064 406 HG21 ILE 55 1HG2 ILE 55 -1.950 -2.642 7.429 407 HG22 ILE 55 2HG2 ILE 55 -0.512 -1.784 7.982 408 HG23 ILE 55 3HG2 ILE 55 -1.959 -1.820 8.989 409 HD11 ILE 55 1HD1 ILE 55 -5.056 -1.246 5.659 410 HD12 ILE 55 2HD1 ILE 55 -3.539 -0.702 4.942 411 HD13 ILE 55 3HD1 ILE 55 -3.619 -2.263 5.758 412 H ASP 56 H ASP 56 -0.571 -0.246 10.182 413 HA ASP 56 HA ASP 56 2.054 0.843 9.501 414 HB2 ASP 56 1HB ASP 56 1.641 1.299 11.738 415 HB3 ASP 56 2HB ASP 56 0.807 -0.231 12.002 416 H PHE 57 H PHE 57 3.836 -0.389 9.082 417 HA PHE 57 HA PHE 57 3.582 -3.302 9.180 418 HB2 PHE 57 1HB PHE 57 4.104 -1.654 6.724 419 HB3 PHE 57 2HB PHE 57 4.751 -3.287 6.855 420 HD1 PHE 57 1HD PHE 57 3.076 -5.164 7.381 421 HD2 PHE 57 2HD PHE 57 1.944 -1.312 5.967 422 HE1 PHE 57 1HE PHE 57 0.922 -6.079 6.622 423 HE2 PHE 57 2HE PHE 57 -0.212 -2.221 5.207 424 HZ PHE 57 HZ PHE 57 -0.726 -4.607 5.534 425 H GLY 58 H GLY 58 5.406 -4.310 9.810 426 HA2 GLY 58 1HA GLY 58 7.680 -2.650 10.519 427 HA3 GLY 58 2HA GLY 58 7.445 -4.338 10.945 428 H LYS 59 H LYS 59 9.865 -3.180 9.984 429 HA LYS 59 HA LYS 59 10.463 -3.363 7.336 430 HB2 LYS 59 1HB LYS 59 12.735 -4.168 8.047 431 HB3 LYS 59 2HB LYS 59 12.167 -2.730 8.885 432 HG2 LYS 59 1HG LYS 59 11.614 -5.353 10.147 433 HG3 LYS 59 2HG LYS 59 13.280 -4.769 10.157 434 HD2 LYS 59 1HD LYS 59 12.091 -2.534 10.955 435 HD3 LYS 59 2HD LYS 59 10.868 -3.679 11.511 436 HE2 LYS 59 1HE LYS 59 12.605 -4.903 12.748 437 HE3 LYS 59 2HE LYS 59 13.801 -3.722 12.217 438 HZ1 LYS 59 1HZ LYS 59 13.213 -2.366 13.848 439 HZ2 LYS 59 2HZ LYS 59 12.214 -3.583 14.466 440 HZ3 LYS 59 3HZ LYS 59 11.580 -2.426 13.408 441 H ASP 60 H ASP 60 9.794 -5.997 9.535 442 HA ASP 60 HA ASP 60 10.721 -8.095 7.861 443 HB2 ASP 60 1HB ASP 60 9.519 -9.582 9.361 444 HB3 ASP 60 2HB ASP 60 10.357 -8.349 10.299 445 H ASP 61 H ASP 61 7.548 -6.604 8.357 446 HA ASP 61 HA ASP 61 6.101 -8.334 6.665 447 HB2 ASP 61 1HB ASP 61 5.631 -5.640 7.854 448 HB3 ASP 61 2HB ASP 61 4.592 -6.148 6.525 449 H GLN 62 H GLN 62 7.073 -8.655 4.700 450 HA GLN 62 HA GLN 62 7.611 -6.311 3.027 451 HB2 GLN 62 1HB GLN 62 8.437 -9.201 2.841 452 HB3 GLN 62 2HB GLN 62 8.636 -8.090 1.492 453 HG2 GLN 62 1HG GLN 62 9.695 -7.146 4.065 454 HG3 GLN 62 2HG GLN 62 10.506 -8.552 3.377 455 HE21 GLN 62 1HE2 GLN 62 10.380 -8.066 0.715 456 HE22 GLN 62 2HE2 GLN 62 11.274 -6.640 0.324 457 H HIS 63 H HIS 63 5.075 -8.244 3.673 458 HA HIS 63 HA HIS 63 3.750 -7.571 1.209 459 HB2 HIS 63 1HB HIS 63 3.014 -10.102 1.033 460 HB3 HIS 63 2HB HIS 63 4.491 -9.534 0.259 461 HD1 HIS 63 1HD HIS 63 6.618 -10.666 0.922 462 HD2 HIS 63 2HD HIS 63 3.504 -11.483 3.549 463 HE1 HIS 63 1HE HIS 63 7.502 -12.425 2.487 464 HE2 HIS 63 2HE HIS 63 5.572 -12.965 4.014 465 H PHE 64 H PHE 64 1.431 -8.236 1.256 466 HA PHE 64 HA PHE 64 0.377 -8.858 3.897 467 HB2 PHE 64 1HB PHE 64 0.642 -6.351 3.742 468 HB3 PHE 64 2HB PHE 64 -0.538 -6.378 2.435 469 HD1 PHE 64 2HD PHE 64 -0.196 -7.735 5.897 470 HD2 PHE 64 1HD PHE 64 -2.691 -5.862 3.002 471 HE1 PHE 64 2HE PHE 64 -2.018 -7.621 7.546 472 HE2 PHE 64 1HE PHE 64 -4.517 -5.744 4.647 473 HZ PHE 64 HZ PHE 64 -4.182 -6.625 6.922 474 H THR 65 H THR 65 -1.754 -9.628 3.881 475 HA THR 65 HA THR 65 -2.735 -10.368 1.205 476 HB THR 65 HB THR 65 -3.344 -11.732 3.834 477 HG1 THR 65 1HG THR 65 -1.394 -12.205 1.838 478 HG21 THR 65 1HG2 THR 65 -4.857 -12.933 2.722 479 HG22 THR 65 2HG2 THR 65 -3.684 -13.330 1.467 480 HG23 THR 65 3HG2 THR 65 -4.639 -11.853 1.346 481 H VAL 66 H VAL 66 -4.418 -9.218 0.540 482 HA VAL 66 HA VAL 66 -6.346 -8.244 2.546 483 HB VAL 66 HB VAL 66 -5.852 -7.106 -0.208 484 HG11 VAL 66 1HG1 VAL 66 -7.048 -5.232 1.505 485 HG12 VAL 66 2HG1 VAL 66 -7.776 -6.044 0.118 486 HG13 VAL 66 3HG1 VAL 66 -7.934 -6.739 1.731 487 HG21 VAL 66 1HG2 VAL 66 -4.695 -5.282 0.893 488 HG22 VAL 66 2HG2 VAL 66 -4.953 -6.035 2.466 489 HG23 VAL 66 3HG2 VAL 66 -3.907 -6.812 1.278 490 H THR 67 H THR 67 -8.278 -9.167 2.525 491 HA THR 67 HA THR 67 -9.274 -10.308 -0.003 492 HB THR 67 HB THR 67 -10.308 -12.136 1.203 493 HG1 THR 67 1HG THR 67 -9.007 -11.426 3.594 494 HG21 THR 67 1HG2 THR 67 -8.200 -13.203 2.192 495 HG22 THR 67 2HG2 THR 67 -7.380 -11.709 1.736 496 HG23 THR 67 3HG2 THR 67 -8.140 -12.711 0.500 497 H GLY 68 H GLY 68 -11.539 -10.259 -0.323 498 HA2 GLY 68 1HA GLY 68 -13.760 -9.683 0.321 499 HA3 GLY 68 2HA GLY 68 -13.095 -8.671 1.595 500 H LEU 69 H LEU 69 -11.287 -8.107 -1.101 501 HA LEU 69 HA LEU 69 -12.128 -5.475 -1.439 502 HB2 LEU 69 1HB LEU 69 -10.636 -7.316 -3.295 503 HB3 LEU 69 2HB LEU 69 -10.878 -5.601 -3.620 504 HG LEU 69 HG LEU 69 -9.392 -6.720 -1.244 505 HD11 LEU 69 1HD1 LEU 69 -8.443 -5.637 -3.883 506 HD12 LEU 69 2HD1 LEU 69 -8.082 -7.199 -3.149 507 HD13 LEU 69 3HD1 LEU 69 -7.413 -5.723 -2.454 508 HD21 LEU 69 1HD2 LEU 69 -8.605 -4.329 -1.096 509 HD22 LEU 69 2HD2 LEU 69 -10.292 -4.608 -0.664 510 HD23 LEU 69 3HD2 LEU 69 -9.886 -3.922 -2.238 511 H HIS 70 H HIS 70 -13.550 -4.458 -2.767 512 HA HIS 70 HA HIS 70 -15.757 -5.921 -3.764 513 HB2 HIS 70 1HB HIS 70 -14.903 -3.047 -4.092 514 HB3 HIS 70 2HB HIS 70 -16.388 -3.680 -4.796 515 HD1 HIS 70 1HD HIS 70 -17.642 -1.944 -3.237 516 HD2 HIS 70 2HD HIS 70 -15.632 -4.993 -1.257 517 HE1 HIS 70 1HE HIS 70 -18.547 -1.932 -0.891 518 HE2 HIS 70 2HE HIS 70 -17.255 -3.730 0.311 519 H LYS 71 H LYS 71 -15.783 -7.123 -5.535 520 HA LYS 71 HA LYS 71 -13.809 -7.052 -7.540 521 HB2 LYS 71 1HB LYS 71 -15.304 -8.580 -8.781 522 HB3 LYS 71 2HB LYS 71 -15.089 -9.067 -7.104 523 HG2 LYS 71 1HG LYS 71 -17.250 -8.571 -6.535 524 HG3 LYS 71 2HG LYS 71 -17.424 -7.363 -7.810 525 HD2 LYS 71 1HD LYS 71 -17.549 -9.094 -9.490 526 HD3 LYS 71 2HD LYS 71 -17.227 -10.337 -8.280 527 HE2 LYS 71 1HE LYS 71 -19.577 -10.322 -8.728 528 HE3 LYS 71 2HE LYS 71 -19.322 -9.651 -7.118 529 HZ1 LYS 71 1HZ LYS 71 -19.273 -7.607 -9.088 530 HZ2 LYS 71 2HZ LYS 71 -20.272 -7.760 -7.732 531 HZ3 LYS 71 3HZ LYS 71 -20.712 -8.492 -9.192 532 H GLY 72 H GLY 72 -13.784 -6.211 -9.604 533 HA2 GLY 72 1HA GLY 72 -14.355 -4.839 -11.361 534 HA3 GLY 72 2HA GLY 72 -16.018 -4.916 -10.801 535 H THR 73 H THR 73 -13.374 -3.801 -8.796 536 HA THR 73 HA THR 73 -14.307 -1.031 -9.122 537 HB THR 73 HB THR 73 -13.809 -2.445 -6.497 538 HG1 THR 73 1HG THR 73 -15.915 -2.664 -7.514 539 HG21 THR 73 1HG2 THR 73 -14.763 0.025 -5.851 540 HG22 THR 73 2HG2 THR 73 -13.718 0.400 -7.221 541 HG23 THR 73 3HG2 THR 73 -13.061 -0.433 -5.813 542 H THR 74 H THR 74 -12.720 0.411 -9.379 543 HA THR 74 HA THR 74 -9.992 -0.475 -9.450 544 HB THR 74 HB THR 74 -11.103 2.318 -9.791 545 HG1 THR 74 1HG THR 74 -10.818 1.778 -12.053 546 HG21 THR 74 1HG2 THR 74 -9.031 3.035 -10.388 547 HG22 THR 74 2HG2 THR 74 -8.562 1.470 -11.052 548 HG23 THR 74 3HG2 THR 74 -8.531 1.733 -9.309 549 H TYR 75 H TYR 75 -8.342 -0.013 -8.070 550 HA TYR 75 HA TYR 75 -8.969 1.601 -5.690 551 HB2 TYR 75 1HB TYR 75 -7.900 -1.186 -5.844 552 HB3 TYR 75 2HB TYR 75 -7.346 -0.139 -4.542 553 HD1 TYR 75 1HD TYR 75 -8.953 0.712 -2.868 554 HD2 TYR 75 2HD TYR 75 -10.120 -2.083 -5.857 555 HE1 TYR 75 1HE TYR 75 -10.980 0.188 -1.578 556 HE2 TYR 75 2HE TYR 75 -12.151 -2.614 -4.576 557 HH TYR 75 HH TYR 75 -13.541 -1.743 -2.884 558 H ILE 76 H ILE 76 -6.964 2.247 -4.486 559 HA ILE 76 HA ILE 76 -4.630 2.524 -6.245 560 HB ILE 76 HB ILE 76 -5.672 4.829 -4.609 561 HG12 ILE 76 1HG1 ILE 76 -5.901 4.797 -7.584 562 HG13 ILE 76 2HG1 ILE 76 -7.105 3.914 -6.652 563 HG21 ILE 76 1HG2 ILE 76 -3.209 4.554 -5.400 564 HG22 ILE 76 2HG2 ILE 76 -3.856 5.019 -6.972 565 HG23 ILE 76 3HG2 ILE 76 -4.022 6.107 -5.594 566 HD11 ILE 76 1HD1 ILE 76 -7.815 5.884 -5.549 567 HD12 ILE 76 2HD1 ILE 76 -6.447 6.805 -6.175 568 HD13 ILE 76 3HD1 ILE 76 -7.717 6.259 -7.269 569 H PHE 77 H PHE 77 -3.156 1.376 -5.151 570 HA PHE 77 HA PHE 77 -3.020 1.558 -2.245 571 HB2 PHE 77 1HB PHE 77 -1.643 -0.199 -4.273 572 HB3 PHE 77 2HB PHE 77 -1.180 -0.183 -2.575 573 HD1 PHE 77 1HD PHE 77 -3.838 -1.035 -4.957 574 HD2 PHE 77 2HD PHE 77 -2.546 -1.209 -0.906 575 HE1 PHE 77 1HE PHE 77 -5.612 -2.668 -4.465 576 HE2 PHE 77 2HE PHE 77 -4.316 -2.843 -0.407 577 HZ PHE 77 HZ PHE 77 -5.852 -3.575 -2.187 578 H ARG 78 H ARG 78 -1.165 2.204 -1.112 579 HA ARG 78 HA ARG 78 0.997 3.457 -2.615 580 HB2 ARG 78 1HB ARG 78 -0.850 4.912 -0.736 581 HB3 ARG 78 2HB ARG 78 0.784 5.483 -1.047 582 HG2 ARG 78 1HG ARG 78 0.043 5.295 -3.552 583 HG3 ARG 78 2HG ARG 78 -1.576 5.404 -2.857 584 HD2 ARG 78 1HD ARG 78 -0.951 7.486 -1.734 585 HD3 ARG 78 2HD ARG 78 0.668 7.373 -2.424 586 HE ARG 78 HE ARG 78 -1.443 7.361 -4.380 587 HH11 ARG 78 2HH1 ARG 78 0.683 9.338 -2.459 588 HH12 ARG 78 1HH1 ARG 78 0.598 10.698 -3.529 589 HH21 ARG 78 2HH2 ARG 78 -1.563 9.145 -5.797 590 HH22 ARG 78 1HH2 ARG 78 -0.680 10.587 -5.426 591 H LEU 79 H LEU 79 2.938 3.359 -1.597 592 HA LEU 79 HA LEU 79 2.975 2.495 1.213 593 HB2 LEU 79 1HB LEU 79 3.322 0.581 -0.348 594 HB3 LEU 79 2HB LEU 79 4.766 1.394 -0.947 595 HG LEU 79 HG LEU 79 5.714 1.252 1.358 596 HD11 LEU 79 1HD1 LEU 79 4.487 0.596 3.083 597 HD12 LEU 79 2HD1 LEU 79 4.069 -0.910 2.267 598 HD13 LEU 79 3HD1 LEU 79 3.083 0.531 2.016 599 HD21 LEU 79 1HD2 LEU 79 6.532 -0.337 -0.147 600 HD22 LEU 79 2HD2 LEU 79 5.001 -1.211 -0.201 601 HD23 LEU 79 3HD2 LEU 79 6.011 -1.289 1.243 602 H ALA 80 H ALA 80 5.033 2.889 2.302 603 HA ALA 80 HA ALA 80 6.864 4.752 1.032 604 HB1 ALA 80 1HB ALA 80 6.497 6.586 2.382 605 HB2 ALA 80 2HB ALA 80 4.855 5.996 2.122 606 HB3 ALA 80 3HB ALA 80 5.692 5.638 3.633 607 H ALA 81 H ALA 81 8.893 4.683 1.888 608 HA ALA 81 HA ALA 81 9.393 2.606 3.860 609 HB1 ALA 81 1HB ALA 81 11.418 4.261 2.367 610 HB2 ALA 81 2HB ALA 81 11.682 2.730 3.202 611 HB3 ALA 81 3HB ALA 81 10.703 2.777 1.736 612 H LYS 82 H LYS 82 10.294 2.911 5.855 613 HA LYS 82 HA LYS 82 10.590 5.706 6.742 614 HB2 LYS 82 1HB LYS 82 8.639 4.296 7.665 615 HB3 LYS 82 2HB LYS 82 9.872 3.425 8.568 616 HG2 LYS 82 1HG LYS 82 10.423 5.291 9.852 617 HG3 LYS 82 2HG LYS 82 9.649 6.408 8.725 618 HD2 LYS 82 1HD LYS 82 8.164 6.288 10.530 619 HD3 LYS 82 2HD LYS 82 7.468 5.203 9.325 620 HE2 LYS 82 1HE LYS 82 7.350 4.074 11.407 621 HE3 LYS 82 2HE LYS 82 8.657 3.319 10.496 622 HZ1 LYS 82 1HZ LYS 82 9.286 3.705 12.794 623 HZ2 LYS 82 2HZ LYS 82 8.993 5.362 12.625 624 HZ3 LYS 82 3HZ LYS 82 10.246 4.632 11.754 625 H ASN 83 H ASN 83 12.612 6.234 7.208 626 HA ASN 83 HA ASN 83 14.450 4.117 8.108 627 HB2 ASN 83 1HB ASN 83 16.266 5.624 7.272 628 HB3 ASN 83 2HB ASN 83 15.180 5.051 6.009 629 HD21 ASN 83 1HD2 ASN 83 16.231 6.945 4.943 630 HD22 ASN 83 2HD2 ASN 83 15.458 8.481 5.120 631 H ARG 84 H ARG 84 16.461 5.398 9.229 632 HA ARG 84 HA ARG 84 15.659 6.009 11.791 633 HB2 ARG 84 1HB ARG 84 18.009 5.512 10.929 634 HB3 ARG 84 2HB ARG 84 18.109 7.220 10.521 635 HG2 ARG 84 1HG ARG 84 18.245 7.878 12.695 636 HG3 ARG 84 2HG ARG 84 17.307 6.504 13.285 637 HD2 ARG 84 1HD ARG 84 19.182 5.030 12.993 638 HD3 ARG 84 2HD ARG 84 20.114 6.303 12.205 639 HE ARG 84 HE ARG 84 19.786 5.900 15.016 640 HH11 ARG 84 2HH1 ARG 84 20.325 8.300 12.552 641 HH12 ARG 84 1HH1 ARG 84 21.116 9.409 13.622 642 HH21 ARG 84 2HH2 ARG 84 20.826 7.353 16.435 643 HH22 ARG 84 1HH2 ARG 84 21.401 8.869 15.831 644 H ALA 85 H ALA 85 15.429 7.956 9.002 645 HA ALA 85 HA ALA 85 15.209 10.436 10.536 646 HB1 ALA 85 1HB ALA 85 15.324 11.597 8.491 647 HB2 ALA 85 2HB ALA 85 16.488 10.280 8.350 648 HB3 ALA 85 3HB ALA 85 14.917 10.156 7.558 649 H GLY 86 H GLY 86 13.265 8.148 8.730 650 HA2 GLY 86 1HA GLY 86 10.913 8.124 9.728 651 HA3 GLY 86 2HA GLY 86 10.880 9.809 9.229 652 H LEU 87 H LEU 87 8.914 8.894 8.102 653 HA LEU 87 HA LEU 87 9.186 7.157 5.896 654 HB2 LEU 87 1HB LEU 87 7.118 9.302 6.354 655 HB3 LEU 87 2HB LEU 87 6.984 7.954 5.227 656 HG LEU 87 HG LEU 87 7.380 7.335 8.110 657 HD11 LEU 87 1HD1 LEU 87 5.346 7.974 8.826 658 HD12 LEU 87 2HD1 LEU 87 4.582 7.670 7.267 659 HD13 LEU 87 3HD1 LEU 87 5.482 9.163 7.531 660 HD21 LEU 87 1HD2 LEU 87 6.947 5.861 5.835 661 HD22 LEU 87 2HD2 LEU 87 5.341 5.944 6.558 662 HD23 LEU 87 3HD2 LEU 87 6.695 5.301 7.488 663 H GLY 88 H GLY 88 9.203 7.602 3.658 664 HA2 GLY 88 1HA GLY 88 10.184 10.305 2.973 665 HA3 GLY 88 2HA GLY 88 10.877 8.846 2.281 666 H GLU 89 H GLU 89 10.384 8.938 0.177 667 HA GLU 89 HA GLU 89 8.088 10.126 -0.914 668 HB2 GLU 89 1HB GLU 89 10.225 8.319 -1.925 669 HB3 GLU 89 2HB GLU 89 8.759 8.458 -2.886 670 HG2 GLU 89 1HG GLU 89 10.073 10.090 -3.810 671 HG3 GLU 89 2HG GLU 89 9.149 11.013 -2.627 672 H GLU 90 H GLU 90 6.348 9.061 -2.106 673 HA GLU 90 HA GLU 90 5.545 6.521 -0.845 674 HB2 GLU 90 1HB GLU 90 3.765 8.802 -1.724 675 HB3 GLU 90 2HB GLU 90 3.210 7.276 -1.050 676 HG2 GLU 90 1HG GLU 90 4.744 7.930 0.953 677 HG3 GLU 90 2HG GLU 90 4.572 9.556 0.295 678 H PHE 91 H PHE 91 4.920 4.892 -2.143 679 HA PHE 91 HA PHE 91 5.261 5.237 -4.997 680 HB2 PHE 91 1HB PHE 91 6.167 3.261 -3.737 681 HB3 PHE 91 2HB PHE 91 4.508 2.726 -3.492 682 HD1 PHE 91 1HD PHE 91 7.034 3.470 -6.093 683 HD2 PHE 91 2HD PHE 91 3.379 1.508 -5.140 684 HE1 PHE 91 1HE PHE 91 7.094 2.313 -8.264 685 HE2 PHE 91 2HE PHE 91 3.433 0.347 -7.309 686 HZ PHE 91 HZ PHE 91 5.292 0.748 -8.873 687 H GLU 92 H GLU 92 3.701 4.752 -6.574 688 HA GLU 92 HA GLU 92 0.920 4.714 -5.603 689 HB2 GLU 92 1HB GLU 92 1.834 6.916 -6.636 690 HB3 GLU 92 2HB GLU 92 1.705 6.063 -8.167 691 HG2 GLU 92 1HG GLU 92 -0.732 5.576 -7.310 692 HG3 GLU 92 2HG GLU 92 -0.432 7.016 -6.339 693 H LYS 93 H LYS 93 -0.368 3.194 -6.444 694 HA LYS 93 HA LYS 93 0.307 1.947 -8.992 695 HB2 LYS 93 1HB LYS 93 1.330 0.715 -6.907 696 HB3 LYS 93 2HB LYS 93 -0.315 0.128 -6.698 697 HG2 LYS 93 1HG LYS 93 1.393 -0.235 -9.152 698 HG3 LYS 93 2HG LYS 93 1.036 -1.464 -7.937 699 HD2 LYS 93 1HD LYS 93 -1.457 -0.833 -8.534 700 HD3 LYS 93 2HD LYS 93 -0.717 -0.305 -10.047 701 HE2 LYS 93 1HE LYS 93 0.455 -2.678 -9.856 702 HE3 LYS 93 2HE LYS 93 -0.985 -3.034 -8.903 703 HZ1 LYS 93 1HZ LYS 93 -2.005 -3.392 -10.824 704 HZ2 LYS 93 2HZ LYS 93 -0.713 -2.776 -11.723 705 HZ3 LYS 93 3HZ LYS 93 -1.907 -1.732 -11.134 706 H GLU 94 H GLU 94 -1.459 1.538 -10.168 707 HA GLU 94 HA GLU 94 -4.066 1.653 -8.802 708 HB2 GLU 94 1HB GLU 94 -3.491 3.463 -10.488 709 HB3 GLU 94 2HB GLU 94 -3.558 2.213 -11.723 710 HG2 GLU 94 1HG GLU 94 -5.871 1.814 -11.297 711 HG3 GLU 94 2HG GLU 94 -5.844 2.864 -9.881 712 H ILE 95 H ILE 95 -5.451 -0.008 -8.988 713 HA ILE 95 HA ILE 95 -4.966 -2.049 -11.035 714 HB ILE 95 HB ILE 95 -5.136 -3.870 -9.487 715 HG12 ILE 95 1HG1 ILE 95 -6.700 -2.948 -7.885 716 HG13 ILE 95 2HG1 ILE 95 -5.249 -3.462 -7.031 717 HG21 ILE 95 1HG2 ILE 95 -3.200 -2.632 -7.821 718 HG22 ILE 95 2HG2 ILE 95 -2.945 -3.720 -9.185 719 HG23 ILE 95 3HG2 ILE 95 -3.023 -1.979 -9.450 720 HD11 ILE 95 1HD1 ILE 95 -6.340 -0.749 -7.464 721 HD12 ILE 95 2HD1 ILE 95 -5.545 -1.446 -6.052 722 HD13 ILE 95 3HD1 ILE 95 -4.586 -0.926 -7.437 723 H ARG 96 H ARG 96 -6.825 -3.804 -10.746 724 HA ARG 96 HA ARG 96 -9.355 -2.663 -9.929 725 HB2 ARG 96 1HB ARG 96 -8.957 -1.762 -12.232 726 HB3 ARG 96 2HB ARG 96 -8.935 -3.417 -12.825 727 HG2 ARG 96 1HG ARG 96 -11.239 -3.720 -12.058 728 HG3 ARG 96 2HG ARG 96 -11.257 -2.053 -11.478 729 HD2 ARG 96 1HD ARG 96 -12.335 -2.152 -13.628 730 HD3 ARG 96 2HD ARG 96 -10.805 -1.291 -13.788 731 HE ARG 96 HE ARG 96 -10.267 -3.931 -14.384 732 HH11 ARG 96 2HH1 ARG 96 -12.305 -1.400 -15.633 733 HH12 ARG 96 1HH1 ARG 96 -12.260 -1.989 -17.262 734 HH21 ARG 96 2HH2 ARG 96 -10.200 -4.717 -16.524 735 HH22 ARG 96 1HH2 ARG 96 -11.063 -3.876 -17.767 736 H THR 97 H THR 97 -10.361 -4.257 -8.918 737 HA THR 97 HA THR 97 -9.596 -6.960 -9.068 738 HB THR 97 HB THR 97 -11.803 -7.377 -7.861 739 HG1 THR 97 1HG THR 97 -11.930 -4.582 -7.530 740 HG21 THR 97 1HG2 THR 97 -10.797 -5.474 -6.057 741 HG22 THR 97 2HG2 THR 97 -9.413 -6.032 -6.997 742 HG23 THR 97 3HG2 THR 97 -10.415 -7.194 -6.127 743 HA PRO 98 HA PRO 98 -11.731 -8.412 -12.636 744 HB2 PRO 98 1HB PRO 98 -11.885 -11.046 -11.996 745 HB3 PRO 98 2HB PRO 98 -10.381 -10.267 -12.502 746 HG2 PRO 98 1HG PRO 98 -11.339 -10.926 -9.743 747 HG3 PRO 98 2HG PRO 98 -9.722 -11.124 -10.443 748 HD2 PRO 98 1HD PRO 98 -10.364 -9.050 -8.825 749 HD3 PRO 98 2HD PRO 98 -9.181 -8.904 -10.140 750 H GLU 99 H GLU 99 -13.812 -8.536 -13.240 751 HA GLU 99 HA GLU 99 -15.874 -8.498 -11.253 752 HB2 GLU 99 1HB GLU 99 -16.112 -8.645 -14.264 753 HB3 GLU 99 2HB GLU 99 -17.408 -8.250 -13.143 754 HG2 GLU 99 1HG GLU 99 -15.701 -6.364 -12.413 755 HG3 GLU 99 2HG GLU 99 -15.120 -6.606 -14.060 756 H ASP 100 H ASP 100 -17.817 -9.911 -11.425 757 HA ASP 100 HA ASP 100 -16.979 -12.676 -11.434 758 HB2 ASP 100 1HB ASP 100 -18.487 -11.715 -9.681 759 HB3 ASP 100 2HB ASP 100 -19.734 -11.544 -10.913 760 H LEU 101 H LEU 101 -18.307 -14.352 -12.507 761 HA LEU 101 HA LEU 101 -18.839 -13.557 -15.260 762 HB2 LEU 101 1HB LEU 101 -17.374 -15.483 -14.779 763 HB3 LEU 101 2HB LEU 101 -18.737 -16.303 -14.021 764 HG LEU 101 HG LEU 101 -19.897 -16.185 -16.262 765 HD11 LEU 101 1HD1 LEU 101 -17.186 -15.164 -17.021 766 HD12 LEU 101 2HD1 LEU 101 -18.776 -14.542 -17.464 767 HD13 LEU 101 3HD1 LEU 101 -18.186 -16.044 -18.178 768 HD21 LEU 101 1HD2 LEU 101 -19.156 -18.300 -15.747 769 HD22 LEU 101 2HD2 LEU 101 -17.464 -17.807 -15.669 770 HD23 LEU 101 3HD2 LEU 101 -18.262 -17.978 -17.233 771 H SER 102 H SER 102 -20.840 -12.793 -15.560 772 HA SER 102 HA SER 102 -23.091 -14.068 -14.194 773 HB2 SER 102 1HB SER 102 -24.399 -12.135 -14.939 774 HB3 SER 102 2HB SER 102 -22.935 -11.606 -14.112 775 HG SER 102 HG SER 102 -22.001 -11.194 -16.125 776 H GLY 103 H GLY 103 -24.888 -14.888 -15.302 777 HA2 GLY 103 1HA GLY 103 -24.875 -15.005 -18.195 778 HA3 GLY 103 2HA GLY 103 -24.544 -16.540 -17.406 779 HA PRO 104 HA PRO 104 -29.107 -16.296 -17.956 780 HB2 PRO 104 1HB PRO 104 -29.386 -18.919 -18.598 781 HB3 PRO 104 2HB PRO 104 -28.981 -17.677 -19.789 782 HG2 PRO 104 1HG PRO 104 -27.180 -19.605 -18.375 783 HG3 PRO 104 2HG PRO 104 -27.182 -19.121 -20.081 784 HD2 PRO 104 1HD PRO 104 -25.440 -18.097 -18.278 785 HD3 PRO 104 2HD PRO 104 -26.051 -17.158 -19.655 786 H SER 105 H SER 105 -26.944 -17.938 -15.909 787 HA SER 105 HA SER 105 -29.140 -18.549 -14.056 788 HB2 SER 105 1HB SER 105 -28.209 -20.615 -15.265 789 HB3 SER 105 2HB SER 105 -26.743 -20.360 -14.318 790 HG SER 105 HG SER 105 -27.728 -21.322 -12.747 791 H SER 106 H SER 106 -28.672 -18.291 -11.875 792 HA SER 106 HA SER 106 -26.507 -16.472 -11.312 793 HB2 SER 106 1HB SER 106 -28.884 -17.498 -9.826 794 HB3 SER 106 2HB SER 106 -27.541 -16.843 -8.890 795 HG SER 106 HG SER 106 -28.843 -15.133 -9.331 796 H GLY 107 H GLY 107 -24.925 -16.785 -9.644 797 HA2 GLY 107 1HA GLY 107 -24.273 -19.636 -9.206 798 HA3 GLY 107 2HA GLY 107 -23.052 -18.418 -9.547 Start of MODEL 12 1 H1 GLY 1 H GLY 1 14.692 27.198 10.061 2 HA2 GLY 1 1HA GLY 1 15.072 28.610 7.779 3 HA3 GLY 1 2HA GLY 1 16.282 28.539 9.052 4 H SER 2 H SER 2 15.588 27.825 5.833 5 HA SER 2 HA SER 2 16.743 26.812 4.155 6 HB2 SER 2 1HB SER 2 19.023 27.218 6.103 7 HB3 SER 2 2HB SER 2 19.231 26.711 4.427 8 HG SER 2 HG SER 2 19.443 29.005 4.774 9 H SER 3 H SER 3 15.447 25.155 6.158 10 HA SER 3 HA SER 3 17.198 22.819 6.336 11 HB2 SER 3 1HB SER 3 15.620 21.918 7.902 12 HB3 SER 3 2HB SER 3 15.868 23.610 8.331 13 HG SER 3 HG SER 3 13.600 22.342 7.556 14 H GLY 4 H GLY 4 16.453 20.722 5.655 15 HA2 GLY 4 1HA GLY 4 14.423 20.846 3.511 16 HA3 GLY 4 2HA GLY 4 15.947 19.997 3.296 17 H SER 5 H SER 5 13.703 18.605 2.833 18 HA SER 5 HA SER 5 13.233 17.018 5.264 19 HB2 SER 5 1HB SER 5 11.174 17.849 4.335 20 HB3 SER 5 2HB SER 5 11.615 17.288 2.722 21 HG SER 5 HG SER 5 10.150 15.874 3.807 22 H SER 6 H SER 6 15.131 15.785 5.135 23 HA SER 6 HA SER 6 15.642 14.211 2.753 24 HB2 SER 6 1HB SER 6 17.661 13.511 3.835 25 HB3 SER 6 2HB SER 6 17.472 15.232 4.169 26 HG SER 6 HG SER 6 16.333 14.341 6.166 27 H GLY 7 H GLY 7 14.810 12.267 2.398 28 HA2 GLY 7 1HA GLY 7 14.312 10.461 4.634 29 HA3 GLY 7 2HA GLY 7 12.912 10.929 3.681 30 HA PRO 8 HA PRO 8 15.035 7.155 1.843 31 HB2 PRO 8 1HB PRO 8 12.927 5.464 2.107 32 HB3 PRO 8 2HB PRO 8 14.153 5.675 3.363 33 HG2 PRO 8 1HG PRO 8 11.424 6.887 3.158 34 HG3 PRO 8 2HG PRO 8 12.238 6.198 4.574 35 HD2 PRO 8 1HD PRO 8 12.095 8.865 4.131 36 HD3 PRO 8 2HD PRO 8 13.476 8.105 4.948 37 H GLY 9 H GLY 9 14.347 5.984 -0.109 38 HA2 GLY 9 1HA GLY 9 12.930 7.750 -1.895 39 HA3 GLY 9 2HA GLY 9 13.707 6.232 -2.323 40 H ARG 10 H ARG 10 11.893 5.702 -3.626 41 HA ARG 10 HA ARG 10 9.455 5.033 -2.119 42 HB2 ARG 10 1HB ARG 10 8.444 4.883 -4.471 43 HB3 ARG 10 2HB ARG 10 8.832 6.484 -3.854 44 HG2 ARG 10 1HG ARG 10 10.946 6.421 -5.132 45 HG3 ARG 10 2HG ARG 10 10.452 4.869 -5.811 46 HD2 ARG 10 1HD ARG 10 9.869 6.493 -7.420 47 HD3 ARG 10 2HD ARG 10 8.363 6.040 -6.623 48 HE ARG 10 HE ARG 10 9.228 8.208 -5.223 49 HH11 ARG 10 2HH1 ARG 10 8.594 7.566 -8.585 50 HH12 ARG 10 1HH1 ARG 10 8.140 9.198 -8.946 51 HH21 ARG 10 2HH2 ARG 10 8.632 10.360 -5.685 52 HH22 ARG 10 1HH2 ARG 10 8.163 10.787 -7.296 53 HA PRO 11 HA PRO 11 10.755 0.801 -2.601 54 HB2 PRO 11 1HB PRO 11 8.575 -0.297 -1.413 55 HB3 PRO 11 2HB PRO 11 9.887 0.459 -0.501 56 HG2 PRO 11 1HG PRO 11 7.225 1.587 -1.275 57 HG3 PRO 11 2HG PRO 11 8.085 1.710 0.270 58 HD2 PRO 11 1HD PRO 11 8.069 3.713 -1.552 59 HD3 PRO 11 2HD PRO 11 9.452 3.406 -0.483 60 H THR 12 H THR 12 10.112 -1.038 -3.794 61 HA THR 12 HA THR 12 8.331 -0.422 -6.003 62 HB THR 12 HB THR 12 10.075 -2.845 -5.516 63 HG1 THR 12 1HG THR 12 11.006 -0.630 -5.983 64 HG21 THR 12 1HG2 THR 12 9.020 -3.819 -7.218 65 HG22 THR 12 2HG2 THR 12 9.459 -2.464 -8.258 66 HG23 THR 12 3HG2 THR 12 7.941 -2.432 -7.361 67 H MET 13 H MET 13 6.232 -0.623 -5.409 68 HA MET 13 HA MET 13 5.385 -2.984 -3.914 69 HB2 MET 13 1HB MET 13 4.591 -0.652 -3.332 70 HB3 MET 13 2HB MET 13 3.670 -0.676 -4.830 71 HG2 MET 13 1HG MET 13 2.285 -2.421 -4.069 72 HG3 MET 13 2HG MET 13 3.352 -2.776 -2.712 73 HE1 MET 13 1HE MET 13 1.164 -0.115 -4.387 74 HE2 MET 13 2HE MET 13 0.691 0.962 -3.073 75 HE3 MET 13 3HE MET 13 2.339 1.008 -3.702 76 H MET 14 H MET 14 4.356 -4.666 -4.807 77 HA MET 14 HA MET 14 3.358 -4.379 -7.562 78 HB2 MET 14 1HB MET 14 4.770 -6.797 -6.423 79 HB3 MET 14 2HB MET 14 4.141 -6.638 -8.057 80 HG2 MET 14 1HG MET 14 5.723 -4.755 -8.415 81 HG3 MET 14 2HG MET 14 6.414 -5.100 -6.831 82 HE1 MET 14 1HE MET 14 7.924 -7.908 -6.559 83 HE2 MET 14 2HE MET 14 9.165 -7.125 -7.537 84 HE3 MET 14 3HE MET 14 8.162 -6.164 -6.449 85 H ILE 15 H ILE 15 1.224 -4.596 -7.532 86 HA ILE 15 HA ILE 15 -0.011 -6.349 -5.530 87 HB ILE 15 HB ILE 15 -1.321 -4.291 -7.312 88 HG12 ILE 15 1HG1 ILE 15 -1.061 -3.976 -4.355 89 HG13 ILE 15 2HG1 ILE 15 0.349 -3.639 -5.353 90 HG21 ILE 15 1HG2 ILE 15 -2.498 -5.554 -4.858 91 HG22 ILE 15 2HG2 ILE 15 -3.313 -4.667 -6.146 92 HG23 ILE 15 3HG2 ILE 15 -2.679 -6.283 -6.454 93 HD11 ILE 15 1HD1 ILE 15 -0.453 -1.606 -5.668 94 HD12 ILE 15 2HD1 ILE 15 -1.780 -2.319 -6.587 95 HD13 ILE 15 3HD1 ILE 15 -1.963 -2.024 -4.858 96 H SER 16 H SER 16 -0.806 -8.260 -6.095 97 HA SER 16 HA SER 16 -1.743 -8.688 -8.834 98 HB2 SER 16 1HB SER 16 0.525 -10.093 -7.505 99 HB3 SER 16 2HB SER 16 -0.555 -11.054 -8.515 100 HG SER 16 HG SER 16 1.278 -9.115 -9.223 101 H THR 17 H THR 17 -3.671 -9.623 -8.826 102 HA THR 17 HA THR 17 -4.757 -10.679 -6.364 103 HB THR 17 HB THR 17 -6.854 -10.958 -7.690 104 HG1 THR 17 1HG THR 17 -5.323 -10.957 -9.737 105 HG21 THR 17 1HG2 THR 17 -7.053 -8.928 -6.730 106 HG22 THR 17 2HG2 THR 17 -6.778 -8.324 -8.364 107 HG23 THR 17 3HG2 THR 17 -5.437 -8.426 -7.224 108 H THR 18 H THR 18 -5.076 -12.765 -5.855 109 HA THR 18 HA THR 18 -4.416 -14.785 -7.900 110 HB THR 18 HB THR 18 -3.642 -16.248 -6.081 111 HG1 THR 18 1HG THR 18 -4.256 -13.980 -4.475 112 HG21 THR 18 1HG2 THR 18 -1.562 -15.393 -6.171 113 HG22 THR 18 2HG2 THR 18 -2.062 -13.854 -5.470 114 HG23 THR 18 3HG2 THR 18 -2.289 -14.154 -7.193 115 H ALA 19 H ALA 19 -6.140 -14.498 -4.786 116 HA ALA 19 HA ALA 19 -8.012 -16.562 -5.630 117 HB1 ALA 19 1HB ALA 19 -6.915 -15.927 -3.194 118 HB2 ALA 19 2HB ALA 19 -8.552 -15.280 -3.070 119 HB3 ALA 19 3HB ALA 19 -8.304 -16.983 -3.457 120 H MET 20 H MET 20 -10.368 -15.984 -4.631 121 HA MET 20 HA MET 20 -11.391 -13.981 -6.381 122 HB2 MET 20 1HB MET 20 -13.577 -14.521 -5.322 123 HB3 MET 20 2HB MET 20 -12.722 -15.937 -5.922 124 HG2 MET 20 1HG MET 20 -11.952 -16.418 -3.642 125 HG3 MET 20 2HG MET 20 -12.862 -15.026 -3.058 126 HE1 MET 20 1HE MET 20 -15.145 -14.614 -3.544 127 HE2 MET 20 2HE MET 20 -16.403 -15.777 -3.960 128 HE3 MET 20 3HE MET 20 -15.847 -15.639 -2.292 129 H ASN 21 H ASN 21 -11.598 -11.875 -6.026 130 HA ASN 21 HA ASN 21 -11.562 -9.849 -4.988 131 HB2 ASN 21 1HB ASN 21 -12.994 -11.319 -2.765 132 HB3 ASN 21 2HB ASN 21 -13.039 -9.587 -3.083 133 HD21 ASN 21 1HD2 ASN 21 -14.586 -8.823 -4.354 134 HD22 ASN 21 2HD2 ASN 21 -15.648 -9.780 -5.325 135 H THR 22 H THR 22 -9.233 -11.383 -4.649 136 HA THR 22 HA THR 22 -8.299 -10.321 -2.076 137 HB THR 22 HB THR 22 -7.022 -12.287 -1.572 138 HG1 THR 22 1HG THR 22 -7.768 -13.027 -4.182 139 HG21 THR 22 1HG2 THR 22 -9.505 -13.680 -2.329 140 HG22 THR 22 2HG2 THR 22 -9.724 -12.195 -1.403 141 HG23 THR 22 3HG2 THR 22 -8.739 -13.504 -0.751 142 H ALA 23 H ALA 23 -6.572 -9.069 -2.319 143 HA ALA 23 HA ALA 23 -4.942 -9.392 -4.753 144 HB1 ALA 23 1HB ALA 23 -5.785 -7.284 -5.016 145 HB2 ALA 23 2HB ALA 23 -5.881 -6.985 -3.280 146 HB3 ALA 23 3HB ALA 23 -4.322 -6.915 -4.102 147 H LEU 24 H LEU 24 -2.860 -9.898 -4.521 148 HA LEU 24 HA LEU 24 -1.765 -10.160 -1.848 149 HB2 LEU 24 1HB LEU 24 -1.423 -11.992 -3.356 150 HB3 LEU 24 2HB LEU 24 -0.720 -10.923 -4.568 151 HG LEU 24 HG LEU 24 1.239 -10.588 -3.178 152 HD11 LEU 24 1HD1 LEU 24 0.967 -10.746 -0.973 153 HD12 LEU 24 2HD1 LEU 24 1.112 -12.490 -1.188 154 HD13 LEU 24 3HD1 LEU 24 -0.482 -11.738 -1.139 155 HD21 LEU 24 1HD2 LEU 24 1.360 -12.437 -4.683 156 HD22 LEU 24 2HD2 LEU 24 0.453 -13.470 -3.576 157 HD23 LEU 24 3HD2 LEU 24 2.083 -12.940 -3.154 158 H LEU 25 H LEU 25 -0.348 -8.819 -0.927 159 HA LEU 25 HA LEU 25 0.722 -6.620 -2.562 160 HB2 LEU 25 1HB LEU 25 0.459 -6.734 0.436 161 HB3 LEU 25 2HB LEU 25 0.877 -5.330 -0.543 162 HG LEU 25 HG LEU 25 -1.788 -6.690 -0.802 163 HD11 LEU 25 1HD1 LEU 25 -2.471 -4.638 0.686 164 HD12 LEU 25 2HD1 LEU 25 -0.830 -4.818 1.304 165 HD13 LEU 25 3HD1 LEU 25 -1.966 -6.162 1.417 166 HD21 LEU 25 1HD2 LEU 25 -0.585 -4.078 -1.622 167 HD22 LEU 25 2HD2 LEU 25 -2.328 -4.223 -1.394 168 HD23 LEU 25 3HD2 LEU 25 -1.505 -5.237 -2.581 169 H GLN 26 H GLN 26 2.825 -6.586 -2.975 170 HA GLN 26 HA GLN 26 4.703 -7.730 -1.053 171 HB2 GLN 26 1HB GLN 26 4.579 -8.515 -3.968 172 HB3 GLN 26 2HB GLN 26 5.918 -8.898 -2.894 173 HG2 GLN 26 1HG GLN 26 3.998 -9.947 -1.430 174 HG3 GLN 26 2HG GLN 26 3.175 -10.027 -2.987 175 HE21 GLN 26 1HE2 GLN 26 3.456 -11.835 -4.061 176 HE22 GLN 26 2HE2 GLN 26 4.813 -12.897 -3.940 177 H TRP 27 H TRP 27 6.114 -6.178 -0.629 178 HA TRP 27 HA TRP 27 7.080 -4.509 -2.853 179 HB2 TRP 27 1HB TRP 27 7.225 -2.606 -1.251 180 HB3 TRP 27 2HB TRP 27 5.573 -3.140 -1.551 181 HD1 TRP 27 HD TRP 27 8.272 -3.167 1.180 182 HE1 TRP 27 1HE TRP 27 7.135 -3.617 3.444 183 HE3 TRP 27 3HE TRP 27 3.542 -4.178 -0.475 184 HZ2 TRP 27 2HZ TRP 27 4.572 -4.311 4.402 185 HZ3 TRP 27 3HZ TRP 27 1.805 -4.726 1.180 186 HH2 TRP 27 HH TRP 27 2.312 -4.791 3.568 187 H HIS 28 H HIS 28 9.219 -3.590 -2.523 188 HA HIS 28 HA HIS 28 10.864 -5.197 -0.680 189 HB2 HIS 28 1HB HIS 28 12.422 -5.618 -2.301 190 HB3 HIS 28 2HB HIS 28 10.998 -5.490 -3.328 191 HD1 HIS 28 1HD HIS 28 13.431 -2.913 -1.915 192 HD2 HIS 28 2HD HIS 28 11.645 -4.031 -5.496 193 HE1 HIS 28 1HE HIS 28 14.274 -1.275 -3.627 194 HE2 HIS 28 2HE HIS 28 13.114 -1.919 -5.768 195 HA PRO 29 HA PRO 29 12.362 -1.436 1.024 196 HB2 PRO 29 1HB PRO 29 14.830 -2.222 1.839 197 HB3 PRO 29 2HB PRO 29 13.344 -2.723 2.655 198 HG2 PRO 29 1HG PRO 29 15.006 -4.214 0.661 199 HG3 PRO 29 2HG PRO 29 14.254 -4.804 2.154 200 HD2 PRO 29 1HD PRO 29 13.171 -5.233 -0.290 201 HD3 PRO 29 2HD PRO 29 12.182 -5.030 1.170 202 HA PRO 30 HA PRO 30 14.589 0.459 -2.325 203 HB2 PRO 30 1HB PRO 30 14.830 2.915 -1.194 204 HB3 PRO 30 2HB PRO 30 13.320 2.326 -1.899 205 HG2 PRO 30 1HG PRO 30 14.165 2.407 0.972 206 HG3 PRO 30 2HG PRO 30 12.596 2.819 0.255 207 HD2 PRO 30 1HD PRO 30 13.061 0.449 1.479 208 HD3 PRO 30 2HD PRO 30 11.941 0.614 0.111 209 H LYS 31 H LYS 31 16.658 1.479 -2.707 210 HA LYS 31 HA LYS 31 18.650 0.691 -0.700 211 HB2 LYS 31 1HB LYS 31 18.834 -0.273 -2.988 212 HB3 LYS 31 2HB LYS 31 19.057 1.352 -3.622 213 HG2 LYS 31 1HG LYS 31 21.226 0.680 -3.464 214 HG3 LYS 31 2HG LYS 31 21.017 1.412 -1.871 215 HD2 LYS 31 1HD LYS 31 22.029 -0.619 -1.377 216 HD3 LYS 31 2HD LYS 31 20.316 -0.968 -1.133 217 HE2 LYS 31 1HE LYS 31 20.879 -2.769 -2.411 218 HE3 LYS 31 2HE LYS 31 20.466 -1.631 -3.692 219 HZ1 LYS 31 1HZ LYS 31 22.630 -1.375 -4.293 220 HZ2 LYS 31 2HZ LYS 31 22.708 -2.965 -3.721 221 HZ3 LYS 31 3HZ LYS 31 23.234 -1.688 -2.744 222 H GLU 32 H GLU 32 17.208 3.417 -2.179 223 HA GLU 32 HA GLU 32 19.413 5.209 -1.606 224 HB2 GLU 32 1HB GLU 32 16.611 5.773 -2.592 225 HB3 GLU 32 2HB GLU 32 17.895 6.967 -2.455 226 HG2 GLU 32 1HG GLU 32 19.233 5.553 -4.045 227 HG3 GLU 32 2HG GLU 32 17.771 4.602 -4.303 228 H LEU 33 H LEU 33 17.981 3.698 0.546 229 HA LEU 33 HA LEU 33 16.667 5.803 2.063 230 HB2 LEU 33 1HB LEU 33 15.724 3.552 2.077 231 HB3 LEU 33 2HB LEU 33 17.226 2.920 2.747 232 HG LEU 33 HG LEU 33 15.800 5.027 4.285 233 HD11 LEU 33 1HD1 LEU 33 14.825 2.522 5.159 234 HD12 LEU 33 2HD1 LEU 33 14.497 2.645 3.431 235 HD13 LEU 33 3HD1 LEU 33 13.913 3.895 4.530 236 HD21 LEU 33 1HD2 LEU 33 17.125 4.321 5.934 237 HD22 LEU 33 2HD2 LEU 33 18.005 3.424 4.695 238 HD23 LEU 33 3HD2 LEU 33 16.740 2.626 5.631 239 HA PRO 34 HA PRO 34 20.632 6.855 3.867 240 HB2 PRO 34 1HB PRO 34 19.699 8.984 5.269 241 HB3 PRO 34 2HB PRO 34 20.046 9.051 3.537 242 HG2 PRO 34 1HG PRO 34 17.420 8.697 4.931 243 HG3 PRO 34 2HG PRO 34 17.815 9.709 3.530 244 HD2 PRO 34 1HD PRO 34 16.599 7.302 3.291 245 HD3 PRO 34 2HD PRO 34 17.711 7.937 2.061 246 H GLY 35 H GLY 35 20.952 5.120 5.262 247 HA2 GLY 35 1HA GLY 35 21.339 5.009 7.734 248 HA3 GLY 35 2HA GLY 35 19.621 5.344 7.892 249 H GLU 36 H GLU 36 18.302 3.660 8.113 250 HA GLU 36 HA GLU 36 18.838 1.139 6.823 251 HB2 GLU 36 1HB GLU 36 19.073 -0.212 8.762 252 HB3 GLU 36 2HB GLU 36 20.221 1.109 8.937 253 HG2 GLU 36 1HG GLU 36 18.250 2.226 10.256 254 HG3 GLU 36 2HG GLU 36 17.719 0.556 10.445 255 H LEU 37 H LEU 37 17.027 -0.158 6.663 256 HA LEU 37 HA LEU 37 14.520 1.113 6.871 257 HB2 LEU 37 1HB LEU 37 15.129 -0.702 5.268 258 HB3 LEU 37 2HB LEU 37 15.048 -1.842 6.610 259 HG LEU 37 HG LEU 37 12.607 -0.937 6.854 260 HD11 LEU 37 1HD1 LEU 37 13.381 0.651 4.774 261 HD12 LEU 37 2HD1 LEU 37 11.713 0.256 5.188 262 HD13 LEU 37 3HD1 LEU 37 12.555 -0.668 3.944 263 HD21 LEU 37 1HD2 LEU 37 13.768 -2.965 5.037 264 HD22 LEU 37 2HD2 LEU 37 12.060 -2.580 4.823 265 HD23 LEU 37 3HD2 LEU 37 12.646 -3.156 6.384 266 H LEU 38 H LEU 38 13.025 1.160 8.439 267 HA LEU 38 HA LEU 38 13.410 -0.592 10.774 268 HB2 LEU 38 1HB LEU 38 12.412 2.245 10.893 269 HB3 LEU 38 2HB LEU 38 12.804 1.188 12.247 270 HG LEU 38 HG LEU 38 14.868 2.146 10.276 271 HD11 LEU 38 1HD1 LEU 38 15.340 3.996 11.573 272 HD12 LEU 38 2HD1 LEU 38 14.499 3.354 12.984 273 HD13 LEU 38 3HD1 LEU 38 13.577 3.961 11.608 274 HD21 LEU 38 1HD2 LEU 38 15.172 1.161 13.106 275 HD22 LEU 38 2HD2 LEU 38 16.446 1.461 11.924 276 HD23 LEU 38 3HD2 LEU 38 15.320 0.123 11.687 277 H GLY 39 H GLY 39 11.217 1.024 8.597 278 HA2 GLY 39 1HA GLY 39 9.187 -0.879 8.871 279 HA3 GLY 39 2HA GLY 39 8.796 0.465 9.934 280 H TYR 40 H TYR 40 6.936 0.165 8.207 281 HA TYR 40 HA TYR 40 7.095 2.470 6.520 282 HB2 TYR 40 1HB TYR 40 6.318 0.829 4.523 283 HB3 TYR 40 2HB TYR 40 7.983 1.347 4.757 284 HD1 TYR 40 1HD TYR 40 5.990 -1.194 6.620 285 HD2 TYR 40 2HD TYR 40 9.296 -0.437 4.051 286 HE1 TYR 40 1HE TYR 40 6.686 -3.544 6.832 287 HE2 TYR 40 2HE TYR 40 10.000 -2.785 4.254 288 HH TYR 40 HH TYR 40 8.538 -4.949 6.542 289 H ARG 41 H ARG 41 5.065 3.123 5.720 290 HA ARG 41 HA ARG 41 2.806 1.753 7.010 291 HB2 ARG 41 1HB ARG 41 2.996 3.998 7.789 292 HB3 ARG 41 2HB ARG 41 3.206 4.617 6.156 293 HG2 ARG 41 1HG ARG 41 0.847 3.732 5.715 294 HG3 ARG 41 2HG ARG 41 0.711 3.609 7.470 295 HD2 ARG 41 1HD ARG 41 1.618 6.152 6.171 296 HD3 ARG 41 2HD ARG 41 -0.098 5.765 6.297 297 HE ARG 41 HE ARG 41 0.914 5.427 8.827 298 HH11 ARG 41 2HH1 ARG 41 0.735 8.028 6.520 299 HH12 ARG 41 1HH1 ARG 41 0.682 9.269 7.727 300 HH21 ARG 41 2HH2 ARG 41 0.844 7.053 10.426 301 HH22 ARG 41 1HH2 ARG 41 0.744 8.714 9.948 302 H LEU 42 H LEU 42 0.879 1.393 5.870 303 HA LEU 42 HA LEU 42 1.151 1.510 2.938 304 HB2 LEU 42 1HB LEU 42 1.093 -0.761 4.275 305 HB3 LEU 42 2HB LEU 42 -0.644 -0.465 4.258 306 HG LEU 42 HG LEU 42 1.160 -0.830 1.869 307 HD11 LEU 42 1HD1 LEU 42 -1.146 -2.474 2.902 308 HD12 LEU 42 2HD1 LEU 42 0.561 -2.884 3.069 309 HD13 LEU 42 3HD1 LEU 42 -0.176 -2.813 1.468 310 HD21 LEU 42 1HD2 LEU 42 -1.591 0.254 2.134 311 HD22 LEU 42 2HD2 LEU 42 -1.264 -0.841 0.791 312 HD23 LEU 42 3HD2 LEU 42 -0.326 0.643 0.969 313 H GLN 43 H GLN 43 -0.423 2.486 1.809 314 HA GLN 43 HA GLN 43 -2.957 3.090 3.168 315 HB2 GLN 43 1HB GLN 43 -1.359 5.041 1.501 316 HB3 GLN 43 2HB GLN 43 -2.939 5.348 2.209 317 HG2 GLN 43 1HG GLN 43 -1.887 4.940 4.457 318 HG3 GLN 43 2HG GLN 43 -0.327 4.948 3.635 319 HE21 GLN 43 1HE2 GLN 43 -3.136 6.855 4.469 320 HE22 GLN 43 2HE2 GLN 43 -2.393 8.399 4.251 321 H TYR 44 H TYR 44 -4.612 2.340 2.039 322 HA TYR 44 HA TYR 44 -4.640 2.582 -0.859 323 HB2 TYR 44 1HB TYR 44 -5.159 0.242 -1.247 324 HB3 TYR 44 2HB TYR 44 -3.611 0.370 -0.420 325 HD1 TYR 44 1HD TYR 44 -7.240 -0.110 0.325 326 HD2 TYR 44 2HD TYR 44 -3.221 -0.971 1.426 327 HE1 TYR 44 1HE TYR 44 -8.052 -1.645 2.067 328 HE2 TYR 44 2HE TYR 44 -4.022 -2.508 3.171 329 HH TYR 44 HH TYR 44 -7.494 -3.089 3.656 330 H CYS 45 H CYS 45 -6.633 2.984 -1.634 331 HA CYS 45 HA CYS 45 -9.000 2.205 -0.161 332 HB2 CYS 45 1HB CYS 45 -8.017 4.540 0.639 333 HB3 CYS 45 2HB CYS 45 -8.855 5.115 -0.798 334 HG CYS 45 HG CYS 45 -10.386 5.510 1.581 335 H ARG 46 H ARG 46 -10.974 3.416 -1.362 336 HA ARG 46 HA ARG 46 -10.926 2.385 -4.015 337 HB2 ARG 46 1HB ARG 46 -12.919 3.778 -2.295 338 HB3 ARG 46 2HB ARG 46 -13.198 3.773 -4.031 339 HG2 ARG 46 1HG ARG 46 -12.725 1.192 -3.744 340 HG3 ARG 46 2HG ARG 46 -13.247 1.529 -2.093 341 HD2 ARG 46 1HD ARG 46 -15.221 2.762 -3.288 342 HD3 ARG 46 2HD ARG 46 -14.774 1.734 -4.650 343 HE ARG 46 HE ARG 46 -14.973 -0.028 -2.624 344 HH11 ARG 46 2HH1 ARG 46 -17.092 2.475 -3.792 345 HH12 ARG 46 1HH1 ARG 46 -18.540 1.654 -3.311 346 HH21 ARG 46 2HH2 ARG 46 -16.872 -1.118 -1.985 347 HH22 ARG 46 1HH2 ARG 46 -18.414 -0.389 -2.282 348 H ALA 47 H ALA 47 -11.563 3.668 -5.937 349 HA ALA 47 HA ALA 47 -9.826 5.945 -6.202 350 HB1 ALA 47 1HB ALA 47 -9.997 4.340 -8.012 351 HB2 ALA 47 2HB ALA 47 -11.721 4.679 -8.178 352 HB3 ALA 47 3HB ALA 47 -10.536 5.930 -8.555 353 H ASP 48 H ASP 48 -12.738 5.715 -4.831 354 HA ASP 48 HA ASP 48 -13.595 8.368 -5.789 355 HB2 ASP 48 1HB ASP 48 -15.153 5.903 -5.193 356 HB3 ASP 48 2HB ASP 48 -15.882 7.448 -4.763 357 H GLU 49 H GLU 49 -12.351 6.643 -3.225 358 HA GLU 49 HA GLU 49 -13.646 8.202 -1.140 359 HB2 GLU 49 1HB GLU 49 -11.822 5.851 -1.220 360 HB3 GLU 49 2HB GLU 49 -11.779 6.863 0.217 361 HG2 GLU 49 1HG GLU 49 -14.209 5.496 -0.916 362 HG3 GLU 49 2HG GLU 49 -13.297 4.994 0.506 363 H ALA 50 H ALA 50 -12.382 9.415 0.429 364 HA ALA 50 HA ALA 50 -9.995 10.645 -0.789 365 HB1 ALA 50 1HB ALA 50 -10.659 12.665 0.622 366 HB2 ALA 50 2HB ALA 50 -11.643 12.310 -0.799 367 HB3 ALA 50 3HB ALA 50 -12.223 11.869 0.807 368 H ARG 51 H ARG 51 -11.233 8.924 1.864 369 HA ARG 51 HA ARG 51 -8.979 9.708 3.577 370 HB2 ARG 51 1HB ARG 51 -11.606 8.354 4.168 371 HB3 ARG 51 2HB ARG 51 -10.286 8.383 5.329 372 HG2 ARG 51 1HG ARG 51 -10.333 10.819 5.340 373 HG3 ARG 51 2HG ARG 51 -11.639 10.802 4.154 374 HD2 ARG 51 1HD ARG 51 -12.718 11.101 6.209 375 HD3 ARG 51 2HD ARG 51 -12.922 9.387 5.847 376 HE ARG 51 HE ARG 51 -10.702 9.378 7.348 377 HH11 ARG 51 2HH1 ARG 51 -13.800 10.902 7.793 378 HH12 ARG 51 1HH1 ARG 51 -13.734 10.828 9.522 379 HH21 ARG 51 2HH2 ARG 51 -10.604 9.274 9.624 380 HH22 ARG 51 1HH2 ARG 51 -11.915 9.902 10.563 381 HA PRO 52 HA PRO 52 -7.328 5.784 2.022 382 HB2 PRO 52 1HB PRO 52 -4.769 6.338 2.741 383 HB3 PRO 52 2HB PRO 52 -5.505 6.954 1.256 384 HG2 PRO 52 1HG PRO 52 -5.115 8.326 3.889 385 HG3 PRO 52 2HG PRO 52 -4.860 8.955 2.251 386 HD2 PRO 52 1HD PRO 52 -7.079 9.516 3.698 387 HD3 PRO 52 2HD PRO 52 -7.103 9.377 1.928 388 H ASN 53 H ASN 53 -7.034 3.913 3.102 389 HA ASN 53 HA ASN 53 -7.295 3.906 5.961 390 HB2 ASN 53 1HB ASN 53 -7.060 1.748 3.874 391 HB3 ASN 53 2HB ASN 53 -7.034 1.367 5.594 392 HD21 ASN 53 1HD2 ASN 53 -8.955 1.998 2.898 393 HD22 ASN 53 2HD2 ASN 53 -10.485 2.075 3.696 394 H THR 54 H THR 54 -5.498 4.686 6.960 395 HA THR 54 HA THR 54 -2.841 4.039 6.175 396 HB THR 54 HB THR 54 -3.624 5.011 8.917 397 HG1 THR 54 1HG THR 54 -3.565 7.121 8.007 398 HG21 THR 54 1HG2 THR 54 -1.426 5.249 9.182 399 HG22 THR 54 2HG2 THR 54 -1.359 6.306 7.771 400 HG23 THR 54 3HG2 THR 54 -1.163 4.564 7.579 401 H ILE 55 H ILE 55 -1.579 2.372 6.725 402 HA ILE 55 HA ILE 55 -2.381 0.677 8.988 403 HB ILE 55 HB ILE 55 -1.552 -0.323 6.262 404 HG12 ILE 55 1HG1 ILE 55 -4.121 -0.868 7.745 405 HG13 ILE 55 2HG1 ILE 55 -3.948 0.482 6.629 406 HG21 ILE 55 1HG2 ILE 55 -2.008 -2.578 7.294 407 HG22 ILE 55 2HG2 ILE 55 -0.552 -1.759 7.858 408 HG23 ILE 55 3HG2 ILE 55 -2.002 -1.768 8.861 409 HD11 ILE 55 1HD1 ILE 55 -4.040 -2.436 6.079 410 HD12 ILE 55 2HD1 ILE 55 -4.857 -1.103 5.262 411 HD13 ILE 55 3HD1 ILE 55 -3.138 -1.386 4.986 412 H ASP 56 H ASP 56 -0.725 -0.231 10.155 413 HA ASP 56 HA ASP 56 1.937 0.845 9.597 414 HB2 ASP 56 1HB ASP 56 0.970 1.223 11.839 415 HB3 ASP 56 2HB ASP 56 0.883 -0.519 12.083 416 H PHE 57 H PHE 57 3.716 -0.406 9.251 417 HA PHE 57 HA PHE 57 3.430 -3.316 9.383 418 HB2 PHE 57 1HB PHE 57 4.066 -1.700 6.936 419 HB3 PHE 57 2HB PHE 57 4.721 -3.324 7.114 420 HD1 PHE 57 1HD PHE 57 2.984 -5.181 7.694 421 HD2 PHE 57 2HD PHE 57 1.997 -1.418 5.967 422 HE1 PHE 57 1HE PHE 57 0.876 -6.126 6.848 423 HE2 PHE 57 2HE PHE 57 -0.113 -2.357 5.120 424 HZ PHE 57 HZ PHE 57 -0.677 -4.713 5.560 425 H GLY 58 H GLY 58 5.300 -4.415 9.857 426 HA2 GLY 58 1HA GLY 58 7.508 -2.762 10.800 427 HA3 GLY 58 2HA GLY 58 7.271 -4.472 11.130 428 H LYS 59 H LYS 59 9.691 -3.128 10.265 429 HA LYS 59 HA LYS 59 10.381 -3.231 7.647 430 HB2 LYS 59 1HB LYS 59 12.645 -3.719 8.321 431 HB3 LYS 59 2HB LYS 59 11.914 -2.662 9.522 432 HG2 LYS 59 1HG LYS 59 11.645 -4.455 11.058 433 HG3 LYS 59 2HG LYS 59 12.077 -5.649 9.832 434 HD2 LYS 59 1HD LYS 59 13.961 -3.482 10.737 435 HD3 LYS 59 2HD LYS 59 13.880 -5.065 11.514 436 HE2 LYS 59 1HE LYS 59 14.137 -5.911 9.029 437 HE3 LYS 59 2HE LYS 59 14.857 -4.318 8.801 438 HZ1 LYS 59 1HZ LYS 59 16.326 -4.877 10.736 439 HZ2 LYS 59 2HZ LYS 59 16.604 -5.784 9.337 440 HZ3 LYS 59 3HZ LYS 59 15.757 -6.466 10.632 441 H ASP 60 H ASP 60 9.620 -5.936 9.695 442 HA ASP 60 HA ASP 60 10.683 -7.942 7.948 443 HB2 ASP 60 1HB ASP 60 10.466 -8.455 10.294 444 HB3 ASP 60 2HB ASP 60 8.741 -8.100 10.259 445 H ASP 61 H ASP 61 7.531 -6.458 8.461 446 HA ASP 61 HA ASP 61 6.088 -8.220 6.759 447 HB2 ASP 61 1HB ASP 61 5.549 -5.610 8.089 448 HB3 ASP 61 2HB ASP 61 4.516 -6.066 6.737 449 H GLN 62 H GLN 62 7.105 -8.410 4.785 450 HA GLN 62 HA GLN 62 7.491 -5.976 3.202 451 HB2 GLN 62 1HB GLN 62 8.565 -8.763 3.043 452 HB3 GLN 62 2HB GLN 62 8.524 -7.777 1.588 453 HG2 GLN 62 1HG GLN 62 9.902 -6.099 2.636 454 HG3 GLN 62 2HG GLN 62 9.867 -6.983 4.161 455 HE21 GLN 62 1HE2 GLN 62 11.098 -6.929 0.903 456 HE22 GLN 62 2HE2 GLN 62 12.350 -8.094 1.144 457 H HIS 63 H HIS 63 5.087 -8.106 3.773 458 HA HIS 63 HA HIS 63 3.720 -7.419 1.328 459 HB2 HIS 63 1HB HIS 63 3.104 -9.936 1.027 460 HB3 HIS 63 2HB HIS 63 4.629 -9.337 0.379 461 HD1 HIS 63 1HD HIS 63 6.632 -10.645 1.012 462 HD2 HIS 63 2HD HIS 63 3.501 -11.214 3.684 463 HE1 HIS 63 1HE HIS 63 7.435 -12.400 2.625 464 HE2 HIS 63 2HE HIS 63 5.492 -12.788 4.181 465 H PHE 64 H PHE 64 1.436 -8.065 1.373 466 HA PHE 64 HA PHE 64 0.382 -8.917 3.943 467 HB2 PHE 64 1HB PHE 64 0.665 -6.423 4.077 468 HB3 PHE 64 2HB PHE 64 -0.480 -6.278 2.747 469 HD1 PHE 64 2HD PHE 64 -0.211 -7.907 6.093 470 HD2 PHE 64 1HD PHE 64 -2.681 -5.902 3.265 471 HE1 PHE 64 2HE PHE 64 -2.074 -7.942 7.700 472 HE2 PHE 64 1HE PHE 64 -4.547 -5.933 4.867 473 HZ PHE 64 HZ PHE 64 -4.246 -6.955 7.088 474 H THR 65 H THR 65 -1.502 -10.004 3.758 475 HA THR 65 HA THR 65 -2.556 -10.369 1.058 476 HB THR 65 HB THR 65 -3.255 -11.913 3.560 477 HG1 THR 65 1HG THR 65 -1.809 -13.500 2.503 478 HG21 THR 65 1HG2 THR 65 -4.826 -12.834 2.274 479 HG22 THR 65 2HG2 THR 65 -3.544 -13.474 1.246 480 HG23 THR 65 3HG2 THR 65 -4.279 -11.916 0.871 481 H VAL 66 H VAL 66 -4.313 -9.326 0.413 482 HA VAL 66 HA VAL 66 -6.189 -8.327 2.454 483 HB VAL 66 HB VAL 66 -5.724 -7.256 -0.333 484 HG11 VAL 66 1HG1 VAL 66 -7.963 -7.021 1.304 485 HG12 VAL 66 2HG1 VAL 66 -7.086 -5.504 1.515 486 HG13 VAL 66 3HG1 VAL 66 -7.566 -6.030 -0.099 487 HG21 VAL 66 1HG2 VAL 66 -4.722 -6.413 2.361 488 HG22 VAL 66 2HG2 VAL 66 -3.826 -6.622 0.857 489 HG23 VAL 66 3HG2 VAL 66 -4.906 -5.242 1.056 490 H THR 67 H THR 67 -8.156 -9.181 2.492 491 HA THR 67 HA THR 67 -9.217 -10.410 0.036 492 HB THR 67 HB THR 67 -10.187 -12.229 1.307 493 HG1 THR 67 1HG THR 67 -10.552 -11.732 3.343 494 HG21 THR 67 1HG2 THR 67 -7.364 -12.150 2.294 495 HG22 THR 67 2HG2 THR 67 -7.686 -12.195 0.561 496 HG23 THR 67 3HG2 THR 67 -8.270 -13.493 1.601 497 H GLY 68 H GLY 68 -11.401 -10.169 -0.337 498 HA2 GLY 68 1HA GLY 68 -13.636 -9.658 0.389 499 HA3 GLY 68 2HA GLY 68 -12.949 -8.683 1.680 500 H LEU 69 H LEU 69 -11.301 -8.200 -1.208 501 HA LEU 69 HA LEU 69 -12.103 -5.502 -1.414 502 HB2 LEU 69 1HB LEU 69 -10.601 -7.310 -3.293 503 HB3 LEU 69 2HB LEU 69 -10.873 -5.599 -3.616 504 HG LEU 69 HG LEU 69 -9.341 -6.708 -1.263 505 HD11 LEU 69 1HD1 LEU 69 -8.017 -7.112 -3.160 506 HD12 LEU 69 2HD1 LEU 69 -7.415 -5.596 -2.491 507 HD13 LEU 69 3HD1 LEU 69 -8.467 -5.579 -3.906 508 HD21 LEU 69 1HD2 LEU 69 -8.600 -4.233 -1.218 509 HD22 LEU 69 2HD2 LEU 69 -10.170 -4.664 -0.539 510 HD23 LEU 69 3HD2 LEU 69 -10.071 -3.941 -2.145 511 H HIS 70 H HIS 70 -13.702 -4.545 -2.506 512 HA HIS 70 HA HIS 70 -15.818 -6.027 -3.614 513 HB2 HIS 70 1HB HIS 70 -15.099 -3.142 -3.455 514 HB3 HIS 70 2HB HIS 70 -16.325 -3.610 -4.630 515 HD1 HIS 70 1HD HIS 70 -18.116 -2.318 -3.247 516 HD2 HIS 70 2HD HIS 70 -16.342 -5.493 -1.239 517 HE1 HIS 70 1HE HIS 70 -19.566 -2.735 -1.235 518 HE2 HIS 70 2HE HIS 70 -18.426 -4.604 0.010 519 H LYS 71 H LYS 71 -15.810 -7.117 -5.456 520 HA LYS 71 HA LYS 71 -13.878 -6.856 -7.473 521 HB2 LYS 71 1HB LYS 71 -15.319 -8.339 -8.795 522 HB3 LYS 71 2HB LYS 71 -15.153 -8.912 -7.141 523 HG2 LYS 71 1HG LYS 71 -17.335 -8.541 -6.643 524 HG3 LYS 71 2HG LYS 71 -17.470 -7.170 -7.746 525 HD2 LYS 71 1HD LYS 71 -17.946 -8.491 -9.548 526 HD3 LYS 71 2HD LYS 71 -17.017 -9.858 -8.927 527 HE2 LYS 71 1HE LYS 71 -19.251 -10.547 -8.783 528 HE3 LYS 71 2HE LYS 71 -18.832 -10.056 -7.143 529 HZ1 LYS 71 1HZ LYS 71 -20.333 -8.428 -9.122 530 HZ2 LYS 71 2HZ LYS 71 -19.896 -7.914 -7.571 531 HZ3 LYS 71 3HZ LYS 71 -20.985 -9.194 -7.762 532 H GLY 72 H GLY 72 -14.089 -6.116 -9.652 533 HA2 GLY 72 1HA GLY 72 -14.655 -4.581 -11.262 534 HA3 GLY 72 2HA GLY 72 -16.295 -4.681 -10.639 535 H THR 73 H THR 73 -13.542 -3.658 -8.725 536 HA THR 73 HA THR 73 -14.461 -0.873 -8.888 537 HB THR 73 HB THR 73 -13.892 -2.359 -6.316 538 HG1 THR 73 1HG THR 73 -16.102 -1.920 -5.917 539 HG21 THR 73 1HG2 THR 73 -14.439 0.551 -6.874 540 HG22 THR 73 2HG2 THR 73 -13.054 -0.154 -6.041 541 HG23 THR 73 3HG2 THR 73 -14.645 -0.176 -5.281 542 H THR 74 H THR 74 -12.847 0.507 -9.219 543 HA THR 74 HA THR 74 -10.144 -0.398 -9.350 544 HB THR 74 HB THR 74 -11.215 2.426 -9.522 545 HG1 THR 74 1HG THR 74 -10.656 0.474 -11.524 546 HG21 THR 74 1HG2 THR 74 -8.553 1.237 -10.309 547 HG22 THR 74 2HG2 THR 74 -8.847 2.446 -9.058 548 HG23 THR 74 3HG2 THR 74 -9.097 2.853 -10.755 549 H TYR 75 H TYR 75 -8.430 0.021 -8.016 550 HA TYR 75 HA TYR 75 -8.963 1.516 -5.543 551 HB2 TYR 75 1HB TYR 75 -7.963 -1.291 -5.829 552 HB3 TYR 75 2HB TYR 75 -7.404 -0.312 -4.478 553 HD1 TYR 75 1HD TYR 75 -8.975 0.428 -2.746 554 HD2 TYR 75 2HD TYR 75 -10.232 -2.095 -5.933 555 HE1 TYR 75 1HE TYR 75 -11.019 -0.123 -1.495 556 HE2 TYR 75 2HE TYR 75 -12.281 -2.651 -4.691 557 HH TYR 75 HH TYR 75 -13.187 -0.975 -1.793 558 H ILE 76 H ILE 76 -7.128 2.450 -4.550 559 HA ILE 76 HA ILE 76 -4.731 2.555 -6.262 560 HB ILE 76 HB ILE 76 -5.754 4.874 -4.630 561 HG12 ILE 76 1HG1 ILE 76 -5.945 4.830 -7.610 562 HG13 ILE 76 2HG1 ILE 76 -7.174 3.975 -6.683 563 HG21 ILE 76 1HG2 ILE 76 -4.104 6.154 -5.659 564 HG22 ILE 76 2HG2 ILE 76 -3.293 4.623 -5.333 565 HG23 ILE 76 3HG2 ILE 76 -3.873 4.985 -6.959 566 HD11 ILE 76 1HD1 ILE 76 -7.893 6.223 -7.235 567 HD12 ILE 76 2HD1 ILE 76 -7.703 6.038 -5.491 568 HD13 ILE 76 3HD1 ILE 76 -6.475 6.891 -6.427 569 H PHE 77 H PHE 77 -3.169 1.515 -5.211 570 HA PHE 77 HA PHE 77 -3.036 1.650 -2.295 571 HB2 PHE 77 1HB PHE 77 -1.647 -0.088 -4.333 572 HB3 PHE 77 2HB PHE 77 -1.206 -0.086 -2.629 573 HD1 PHE 77 1HD PHE 77 -3.959 -0.771 -4.995 574 HD2 PHE 77 2HD PHE 77 -2.460 -1.288 -1.045 575 HE1 PHE 77 1HE PHE 77 -5.733 -2.414 -4.541 576 HE2 PHE 77 2HE PHE 77 -4.231 -2.933 -0.585 577 HZ PHE 77 HZ PHE 77 -5.870 -3.498 -2.334 578 H ARG 78 H ARG 78 -1.192 2.327 -1.176 579 HA ARG 78 HA ARG 78 0.974 3.560 -2.684 580 HB2 ARG 78 1HB ARG 78 -0.877 5.062 -0.841 581 HB3 ARG 78 2HB ARG 78 0.746 5.633 -1.202 582 HG2 ARG 78 1HG ARG 78 0.084 5.511 -3.649 583 HG3 ARG 78 2HG ARG 78 -1.574 5.317 -3.076 584 HD2 ARG 78 1HD ARG 78 -1.291 7.431 -1.779 585 HD3 ARG 78 2HD ARG 78 0.277 7.639 -2.559 586 HE ARG 78 HE ARG 78 -0.804 8.362 -4.436 587 HH11 ARG 78 2HH1 ARG 78 -3.072 6.658 -2.418 588 HH12 ARG 78 1HH1 ARG 78 -4.444 7.059 -3.397 589 HH21 ARG 78 2HH2 ARG 78 -2.603 8.897 -5.732 590 HH22 ARG 78 1HH2 ARG 78 -4.176 8.332 -5.282 591 H LEU 79 H LEU 79 2.874 3.187 -1.736 592 HA LEU 79 HA LEU 79 2.899 2.532 1.136 593 HB2 LEU 79 1HB LEU 79 3.171 0.542 -0.328 594 HB3 LEU 79 2HB LEU 79 4.627 1.280 -0.993 595 HG LEU 79 HG LEU 79 5.507 1.269 1.414 596 HD11 LEU 79 1HD1 LEU 79 2.931 0.349 1.932 597 HD12 LEU 79 2HD1 LEU 79 4.294 0.385 3.049 598 HD13 LEU 79 3HD1 LEU 79 3.967 -1.068 2.105 599 HD21 LEU 79 1HD2 LEU 79 5.192 -1.009 -0.454 600 HD22 LEU 79 2HD2 LEU 79 5.814 -1.365 1.157 601 HD23 LEU 79 3HD2 LEU 79 6.653 -0.207 0.123 602 H ALA 80 H ALA 80 4.927 2.943 2.232 603 HA ALA 80 HA ALA 80 6.831 4.680 0.878 604 HB1 ALA 80 1HB ALA 80 5.503 6.425 1.576 605 HB2 ALA 80 2HB ALA 80 4.986 5.588 3.041 606 HB3 ALA 80 3HB ALA 80 6.611 6.265 2.939 607 H ALA 81 H ALA 81 8.853 4.725 1.833 608 HA ALA 81 HA ALA 81 9.339 2.610 3.771 609 HB1 ALA 81 1HB ALA 81 10.777 2.608 1.864 610 HB2 ALA 81 2HB ALA 81 11.205 4.301 2.116 611 HB3 ALA 81 3HB ALA 81 11.740 3.076 3.266 612 H LYS 82 H LYS 82 10.312 2.893 5.765 613 HA LYS 82 HA LYS 82 10.502 5.674 6.724 614 HB2 LYS 82 1HB LYS 82 8.525 4.200 7.547 615 HB3 LYS 82 2HB LYS 82 9.745 3.392 8.524 616 HG2 LYS 82 1HG LYS 82 10.343 5.674 9.432 617 HG3 LYS 82 2HG LYS 82 8.875 6.264 8.649 618 HD2 LYS 82 1HD LYS 82 7.729 4.303 9.918 619 HD3 LYS 82 2HD LYS 82 9.171 4.355 10.936 620 HE2 LYS 82 1HE LYS 82 7.750 6.905 10.357 621 HE3 LYS 82 2HE LYS 82 7.018 5.781 11.502 622 HZ1 LYS 82 1HZ LYS 82 8.322 6.918 12.930 623 HZ2 LYS 82 2HZ LYS 82 9.448 7.366 11.751 624 HZ3 LYS 82 3HZ LYS 82 9.495 5.812 12.417 625 H ASN 83 H ASN 83 12.479 6.207 7.351 626 HA ASN 83 HA ASN 83 14.274 4.072 8.304 627 HB2 ASN 83 1HB ASN 83 16.145 5.343 7.410 628 HB3 ASN 83 2HB ASN 83 14.962 5.059 6.137 629 HD21 ASN 83 1HD2 ASN 83 16.063 6.840 5.087 630 HD22 ASN 83 2HD2 ASN 83 15.609 8.461 5.479 631 H ARG 84 H ARG 84 16.269 5.361 9.450 632 HA ARG 84 HA ARG 84 15.430 6.033 11.970 633 HB2 ARG 84 1HB ARG 84 17.764 5.535 11.405 634 HB3 ARG 84 2HB ARG 84 17.890 7.065 10.548 635 HG2 ARG 84 1HG ARG 84 18.857 7.607 12.545 636 HG3 ARG 84 2HG ARG 84 17.183 8.071 12.857 637 HD2 ARG 84 1HD ARG 84 17.018 5.566 13.678 638 HD3 ARG 84 2HD ARG 84 18.753 5.774 13.909 639 HE ARG 84 HE ARG 84 17.114 7.856 15.058 640 HH11 ARG 84 2HH1 ARG 84 18.684 4.789 15.555 641 HH12 ARG 84 1HH1 ARG 84 18.737 4.948 17.280 642 HH21 ARG 84 2HH2 ARG 84 17.178 8.077 17.328 643 HH22 ARG 84 1HH2 ARG 84 17.879 6.818 18.287 644 H ALA 85 H ALA 85 15.756 8.125 9.170 645 HA ALA 85 HA ALA 85 15.294 10.551 10.638 646 HB1 ALA 85 1HB ALA 85 15.443 11.669 8.578 647 HB2 ALA 85 2HB ALA 85 16.576 10.323 8.450 648 HB3 ALA 85 3HB ALA 85 14.999 10.225 7.667 649 H GLY 86 H GLY 86 13.342 8.226 8.897 650 HA2 GLY 86 1HA GLY 86 10.986 8.259 9.893 651 HA3 GLY 86 2HA GLY 86 10.967 9.921 9.322 652 H LEU 87 H LEU 87 9.035 9.134 8.158 653 HA LEU 87 HA LEU 87 9.266 7.241 6.059 654 HB2 LEU 87 1HB LEU 87 7.260 9.472 6.334 655 HB3 LEU 87 2HB LEU 87 7.094 8.021 5.348 656 HG LEU 87 HG LEU 87 7.422 7.753 8.305 657 HD11 LEU 87 1HD1 LEU 87 4.661 7.894 7.299 658 HD12 LEU 87 2HD1 LEU 87 5.515 9.433 7.406 659 HD13 LEU 87 3HD1 LEU 87 5.341 8.420 8.839 660 HD21 LEU 87 1HD2 LEU 87 7.004 6.017 6.146 661 HD22 LEU 87 2HD2 LEU 87 5.474 6.075 7.022 662 HD23 LEU 87 3HD2 LEU 87 6.958 5.627 7.865 663 H GLY 88 H GLY 88 9.332 7.580 3.805 664 HA2 GLY 88 1HA GLY 88 10.369 10.229 3.003 665 HA3 GLY 88 2HA GLY 88 11.077 8.731 2.418 666 H GLU 89 H GLU 89 10.693 9.055 0.259 667 HA GLU 89 HA GLU 89 8.395 10.053 -0.919 668 HB2 GLU 89 1HB GLU 89 10.518 8.159 -1.867 669 HB3 GLU 89 2HB GLU 89 9.132 8.510 -2.889 670 HG2 GLU 89 1HG GLU 89 9.675 10.873 -2.856 671 HG3 GLU 89 2HG GLU 89 11.032 10.561 -1.775 672 H GLU 90 H GLU 90 6.820 8.819 -2.283 673 HA GLU 90 HA GLU 90 6.079 6.239 -1.092 674 HB2 GLU 90 1HB GLU 90 3.704 6.941 -1.079 675 HB3 GLU 90 2HB GLU 90 4.699 7.881 0.025 676 HG2 GLU 90 1HG GLU 90 4.493 9.796 -1.190 677 HG3 GLU 90 2HG GLU 90 4.278 8.939 -2.715 678 H PHE 91 H PHE 91 5.102 4.789 -2.468 679 HA PHE 91 HA PHE 91 5.244 5.486 -5.308 680 HB2 PHE 91 1HB PHE 91 6.504 3.504 -4.542 681 HB3 PHE 91 2HB PHE 91 5.000 2.771 -3.995 682 HD1 PHE 91 2HD PHE 91 3.374 1.928 -5.591 683 HD2 PHE 91 1HD PHE 91 7.062 3.619 -6.877 684 HE1 PHE 91 2HE PHE 91 3.042 0.946 -7.823 685 HE2 PHE 91 1HE PHE 91 6.736 2.641 -9.111 686 HZ PHE 91 HZ PHE 91 4.724 1.302 -9.586 687 H GLU 92 H GLU 92 3.546 5.035 -6.745 688 HA GLU 92 HA GLU 92 0.921 4.646 -5.463 689 HB2 GLU 92 1HB GLU 92 1.265 6.963 -6.263 690 HB3 GLU 92 2HB GLU 92 1.539 6.345 -7.886 691 HG2 GLU 92 1HG GLU 92 -0.745 5.422 -7.889 692 HG3 GLU 92 2HG GLU 92 -1.010 6.138 -6.300 693 H LYS 93 H LYS 93 -0.496 3.246 -6.398 694 HA LYS 93 HA LYS 93 0.110 2.105 -9.009 695 HB2 LYS 93 1HB LYS 93 1.169 0.795 -6.959 696 HB3 LYS 93 2HB LYS 93 -0.463 0.153 -6.825 697 HG2 LYS 93 1HG LYS 93 1.076 0.082 -9.401 698 HG3 LYS 93 2HG LYS 93 1.203 -1.191 -8.184 699 HD2 LYS 93 1HD LYS 93 -1.294 -1.420 -8.303 700 HD3 LYS 93 2HD LYS 93 -1.263 -0.320 -9.683 701 HE2 LYS 93 1HE LYS 93 -1.314 -2.675 -10.378 702 HE3 LYS 93 2HE LYS 93 0.156 -1.858 -10.910 703 HZ1 LYS 93 1HZ LYS 93 1.448 -3.052 -9.486 704 HZ2 LYS 93 2HZ LYS 93 0.243 -4.202 -9.780 705 HZ3 LYS 93 3HZ LYS 93 0.212 -3.291 -8.356 706 H GLU 94 H GLU 94 -1.694 1.768 -10.147 707 HA GLU 94 HA GLU 94 -4.255 1.782 -8.692 708 HB2 GLU 94 1HB GLU 94 -3.818 3.713 -10.226 709 HB3 GLU 94 2HB GLU 94 -3.772 2.577 -11.566 710 HG2 GLU 94 1HG GLU 94 -6.027 2.194 -11.506 711 HG3 GLU 94 2HG GLU 94 -6.160 2.600 -9.795 712 H ILE 95 H ILE 95 -5.504 0.036 -8.809 713 HA ILE 95 HA ILE 95 -5.100 -1.850 -11.029 714 HB ILE 95 HB ILE 95 -5.213 -3.746 -9.586 715 HG12 ILE 95 1HG1 ILE 95 -6.799 -2.447 -7.963 716 HG13 ILE 95 2HG1 ILE 95 -5.771 -3.729 -7.332 717 HG21 ILE 95 1HG2 ILE 95 -3.299 -2.904 -7.849 718 HG22 ILE 95 2HG2 ILE 95 -3.004 -3.359 -9.526 719 HG23 ILE 95 3HG2 ILE 95 -3.211 -1.662 -9.097 720 HD11 ILE 95 1HD1 ILE 95 -4.633 -1.011 -7.310 721 HD12 ILE 95 2HD1 ILE 95 -5.975 -1.319 -6.207 722 HD13 ILE 95 3HD1 ILE 95 -4.516 -2.307 -6.119 723 H ARG 96 H ARG 96 -6.951 -3.667 -10.689 724 HA ARG 96 HA ARG 96 -9.477 -2.511 -9.875 725 HB2 ARG 96 1HB ARG 96 -9.153 -1.639 -12.171 726 HB3 ARG 96 2HB ARG 96 -9.020 -3.290 -12.760 727 HG2 ARG 96 1HG ARG 96 -11.265 -3.730 -12.428 728 HG3 ARG 96 2HG ARG 96 -11.450 -2.425 -11.255 729 HD2 ARG 96 1HD ARG 96 -11.660 -0.821 -12.867 730 HD3 ARG 96 2HD ARG 96 -10.665 -1.701 -14.025 731 HE ARG 96 HE ARG 96 -12.909 -3.223 -13.783 732 HH11 ARG 96 2HH1 ARG 96 -12.289 0.112 -14.565 733 HH12 ARG 96 1HH1 ARG 96 -13.680 0.267 -15.587 734 HH21 ARG 96 2HH2 ARG 96 -14.743 -3.032 -15.126 735 HH22 ARG 96 1HH2 ARG 96 -15.075 -1.522 -15.904 736 H THR 97 H THR 97 -10.435 -4.088 -8.791 737 HA THR 97 HA THR 97 -9.682 -6.791 -8.901 738 HB THR 97 HB THR 97 -11.860 -7.187 -7.645 739 HG1 THR 97 1HG THR 97 -11.964 -4.339 -7.691 740 HG21 THR 97 1HG2 THR 97 -9.450 -5.920 -6.853 741 HG22 THR 97 2HG2 THR 97 -10.552 -6.885 -5.869 742 HG23 THR 97 3HG2 THR 97 -10.772 -5.139 -5.986 743 HA PRO 98 HA PRO 98 -11.875 -8.340 -12.390 744 HB2 PRO 98 1HB PRO 98 -12.062 -10.949 -11.662 745 HB3 PRO 98 2HB PRO 98 -10.551 -10.209 -12.204 746 HG2 PRO 98 1HG PRO 98 -11.497 -10.762 -9.418 747 HG3 PRO 98 2HG PRO 98 -9.888 -11.007 -10.123 748 HD2 PRO 98 1HD PRO 98 -10.489 -8.872 -8.570 749 HD3 PRO 98 2HD PRO 98 -9.314 -8.786 -9.898 750 H GLU 99 H GLU 99 -13.960 -7.926 -12.750 751 HA GLU 99 HA GLU 99 -15.958 -8.267 -10.718 752 HB2 GLU 99 1HB GLU 99 -17.520 -7.528 -12.563 753 HB3 GLU 99 2HB GLU 99 -16.240 -6.396 -12.151 754 HG2 GLU 99 1HG GLU 99 -15.097 -6.757 -14.117 755 HG3 GLU 99 2HG GLU 99 -15.832 -8.338 -14.376 756 H ASP 100 H ASP 100 -18.022 -9.426 -11.193 757 HA ASP 100 HA ASP 100 -17.704 -11.784 -12.892 758 HB2 ASP 100 1HB ASP 100 -18.248 -11.845 -9.925 759 HB3 ASP 100 2HB ASP 100 -18.633 -13.195 -10.987 760 H LEU 101 H LEU 101 -19.797 -13.046 -13.003 761 HA LEU 101 HA LEU 101 -22.189 -11.490 -12.448 762 HB2 LEU 101 1HB LEU 101 -21.180 -10.890 -14.751 763 HB3 LEU 101 2HB LEU 101 -21.766 -12.477 -15.245 764 HG LEU 101 HG LEU 101 -24.059 -11.650 -14.397 765 HD11 LEU 101 1HD1 LEU 101 -23.505 -9.685 -13.236 766 HD12 LEU 101 2HD1 LEU 101 -24.253 -9.140 -14.737 767 HD13 LEU 101 3HD1 LEU 101 -22.499 -9.088 -14.556 768 HD21 LEU 101 1HD2 LEU 101 -22.670 -11.375 -16.889 769 HD22 LEU 101 2HD2 LEU 101 -23.813 -10.047 -16.689 770 HD23 LEU 101 3HD2 LEU 101 -24.374 -11.717 -16.592 771 H SER 102 H SER 102 -23.651 -12.831 -11.645 772 HA SER 102 HA SER 102 -23.332 -15.635 -11.634 773 HB2 SER 102 1HB SER 102 -25.584 -15.673 -10.598 774 HB3 SER 102 2HB SER 102 -24.524 -14.482 -9.843 775 HG SER 102 HG SER 102 -26.558 -13.580 -10.243 776 H GLY 103 H GLY 103 -24.444 -17.267 -12.702 777 HA2 GLY 103 1HA GLY 103 -25.598 -16.442 -15.275 778 HA3 GLY 103 2HA GLY 103 -24.947 -18.032 -14.904 779 HA PRO 104 HA PRO 104 -29.580 -17.461 -13.475 780 HB2 PRO 104 1HB PRO 104 -31.027 -16.564 -15.590 781 HB3 PRO 104 2HB PRO 104 -30.346 -15.486 -14.365 782 HG2 PRO 104 1HG PRO 104 -29.303 -16.157 -17.090 783 HG3 PRO 104 2HG PRO 104 -29.387 -14.582 -16.281 784 HD2 PRO 104 1HD PRO 104 -27.104 -16.032 -16.412 785 HD3 PRO 104 2HD PRO 104 -27.488 -14.978 -15.036 786 H SER 105 H SER 105 -28.214 -18.466 -16.517 787 HA SER 105 HA SER 105 -30.206 -20.176 -17.453 788 HB2 SER 105 1HB SER 105 -28.331 -19.641 -18.862 789 HB3 SER 105 2HB SER 105 -27.197 -20.347 -17.711 790 HG SER 105 HG SER 105 -27.596 -21.803 -19.385 791 H SER 106 H SER 106 -30.623 -22.361 -17.187 792 HA SER 106 HA SER 106 -30.106 -23.399 -14.570 793 HB2 SER 106 1HB SER 106 -31.603 -24.401 -16.977 794 HB3 SER 106 2HB SER 106 -31.310 -25.462 -15.600 795 HG SER 106 HG SER 106 -33.324 -24.081 -15.686 796 H GLY 107 H GLY 107 -29.260 -25.608 -14.200 797 HA2 GLY 107 1HA GLY 107 -26.664 -25.973 -14.765 798 HA3 GLY 107 2HA GLY 107 -27.754 -27.337 -14.568 Start of MODEL 13 1 H1 GLY 1 H GLY 1 8.416 17.591 17.798 2 HA2 GLY 1 1HA GLY 1 9.499 16.216 16.313 3 HA3 GLY 1 2HA GLY 1 8.359 16.828 15.124 4 H SER 2 H SER 2 10.021 16.672 13.537 5 HA SER 2 HA SER 2 11.512 19.102 13.251 6 HB2 SER 2 1HB SER 2 13.739 18.040 13.069 7 HB3 SER 2 2HB SER 2 13.069 17.890 14.694 8 HG SER 2 HG SER 2 13.206 15.816 14.474 9 H SER 3 H SER 3 11.340 19.612 11.181 10 HA SER 3 HA SER 3 10.234 18.046 9.209 11 HB2 SER 3 1HB SER 3 10.806 20.600 9.259 12 HB3 SER 3 2HB SER 3 12.302 20.093 8.475 13 HG SER 3 HG SER 3 11.225 19.590 6.710 14 H GLY 4 H GLY 4 10.980 16.705 7.605 15 HA2 GLY 4 1HA GLY 4 13.673 15.626 8.045 16 HA3 GLY 4 2HA GLY 4 12.366 14.818 7.193 17 H SER 5 H SER 5 15.069 16.928 6.933 18 HA SER 5 HA SER 5 14.615 18.090 4.433 19 HB2 SER 5 1HB SER 5 16.998 18.487 4.345 20 HB3 SER 5 2HB SER 5 16.462 18.700 6.012 21 HG SER 5 HG SER 5 18.375 17.436 5.852 22 H SER 6 H SER 6 16.133 15.001 5.283 23 HA SER 6 HA SER 6 15.835 14.182 2.468 24 HB2 SER 6 1HB SER 6 18.095 13.602 4.385 25 HB3 SER 6 2HB SER 6 17.841 12.677 2.905 26 HG SER 6 HG SER 6 17.909 15.466 2.728 27 H GLY 7 H GLY 7 15.194 12.054 2.074 28 HA2 GLY 7 1HA GLY 7 14.646 10.302 4.333 29 HA3 GLY 7 2HA GLY 7 13.236 10.895 3.467 30 HA PRO 8 HA PRO 8 14.912 6.965 1.499 31 HB2 PRO 8 1HB PRO 8 12.686 5.460 1.888 32 HB3 PRO 8 2HB PRO 8 13.999 5.556 3.067 33 HG2 PRO 8 1HG PRO 8 11.377 7.000 3.029 34 HG3 PRO 8 2HG PRO 8 12.212 6.233 4.393 35 HD2 PRO 8 1HD PRO 8 12.274 8.906 3.963 36 HD3 PRO 8 2HD PRO 8 13.631 8.025 4.693 37 H GLY 9 H GLY 9 14.249 6.096 -0.513 38 HA2 GLY 9 1HA GLY 9 12.688 7.914 -2.102 39 HA3 GLY 9 2HA GLY 9 13.486 6.454 -2.667 40 H ARG 10 H ARG 10 11.739 5.763 -3.890 41 HA ARG 10 HA ARG 10 9.280 5.124 -2.411 42 HB2 ARG 10 1HB ARG 10 9.760 5.329 -5.389 43 HB3 ARG 10 2HB ARG 10 8.226 4.911 -4.640 44 HG2 ARG 10 1HG ARG 10 8.042 7.082 -3.651 45 HG3 ARG 10 2HG ARG 10 9.671 7.508 -4.178 46 HD2 ARG 10 1HD ARG 10 7.525 6.739 -6.131 47 HD3 ARG 10 2HD ARG 10 7.700 8.395 -5.551 48 HE ARG 10 HE ARG 10 10.193 7.736 -6.411 49 HH11 ARG 10 2HH1 ARG 10 7.026 7.673 -7.856 50 HH12 ARG 10 1HH1 ARG 10 7.610 7.958 -9.462 51 HH21 ARG 10 2HH2 ARG 10 10.974 8.110 -8.521 52 HH22 ARG 10 1HH2 ARG 10 9.856 8.205 -9.839 53 HA PRO 11 HA PRO 11 10.643 0.889 -2.519 54 HB2 PRO 11 1HB PRO 11 8.411 -0.158 -1.382 55 HB3 PRO 11 2HB PRO 11 9.657 0.685 -0.454 56 HG2 PRO 11 1HG PRO 11 7.030 1.707 -1.461 57 HG3 PRO 11 2HG PRO 11 7.796 1.957 0.118 58 HD2 PRO 11 1HD PRO 11 7.860 3.822 -1.844 59 HD3 PRO 11 2HD PRO 11 9.183 3.618 -0.677 60 H THR 12 H THR 12 10.086 -1.049 -3.601 61 HA THR 12 HA THR 12 8.433 -0.623 -5.952 62 HB THR 12 HB THR 12 9.924 -3.161 -5.326 63 HG1 THR 12 1HG THR 12 11.777 -2.240 -6.067 64 HG21 THR 12 1HG2 THR 12 8.320 -2.367 -7.445 65 HG22 THR 12 2HG2 THR 12 9.452 -3.720 -7.439 66 HG23 THR 12 3HG2 THR 12 9.962 -2.144 -8.045 67 H MET 13 H MET 13 6.310 -0.763 -5.349 68 HA MET 13 HA MET 13 5.424 -3.089 -3.820 69 HB2 MET 13 1HB MET 13 4.612 -0.784 -3.257 70 HB3 MET 13 2HB MET 13 3.784 -0.751 -4.809 71 HG2 MET 13 1HG MET 13 2.289 -2.440 -4.173 72 HG3 MET 13 2HG MET 13 3.276 -2.906 -2.789 73 HE1 MET 13 1HE MET 13 1.400 -0.120 -4.481 74 HE2 MET 13 2HE MET 13 0.613 0.787 -3.190 75 HE3 MET 13 3HE MET 13 2.321 1.055 -3.541 76 H MET 14 H MET 14 4.410 -4.786 -4.699 77 HA MET 14 HA MET 14 3.523 -4.567 -7.499 78 HB2 MET 14 1HB MET 14 4.608 -7.094 -6.268 79 HB3 MET 14 2HB MET 14 4.331 -6.748 -7.970 80 HG2 MET 14 1HG MET 14 6.173 -5.261 -8.058 81 HG3 MET 14 2HG MET 14 6.349 -5.275 -6.305 82 HE1 MET 14 1HE MET 14 8.374 -7.529 -5.221 83 HE2 MET 14 2HE MET 14 9.425 -6.816 -6.445 84 HE3 MET 14 3HE MET 14 8.204 -5.825 -5.645 85 H ILE 15 H ILE 15 1.404 -4.816 -7.681 86 HA ILE 15 HA ILE 15 -0.024 -6.367 -5.633 87 HB ILE 15 HB ILE 15 -1.175 -4.396 -7.610 88 HG12 ILE 15 1HG1 ILE 15 -0.972 -3.859 -4.676 89 HG13 ILE 15 2HG1 ILE 15 0.455 -3.619 -5.678 90 HG21 ILE 15 1HG2 ILE 15 -2.329 -6.260 -5.688 91 HG22 ILE 15 2HG2 ILE 15 -2.903 -4.605 -5.492 92 HG23 ILE 15 3HG2 ILE 15 -3.079 -5.421 -7.045 93 HD11 ILE 15 1HD1 ILE 15 -0.326 -1.580 -6.059 94 HD12 ILE 15 2HD1 ILE 15 -1.551 -2.341 -7.075 95 HD13 ILE 15 3HD1 ILE 15 -1.907 -1.978 -5.386 96 H SER 16 H SER 16 -0.734 -8.317 -6.155 97 HA SER 16 HA SER 16 -1.518 -8.858 -8.932 98 HB2 SER 16 1HB SER 16 0.499 -10.325 -7.281 99 HB3 SER 16 2HB SER 16 -0.503 -11.243 -8.405 100 HG SER 16 HG SER 16 0.225 -9.391 -9.905 101 H THR 17 H THR 17 -3.326 -10.063 -9.165 102 HA THR 17 HA THR 17 -4.752 -10.782 -6.716 103 HB THR 17 HB THR 17 -6.743 -10.985 -8.142 104 HG1 THR 17 1HG THR 17 -6.217 -11.486 -10.153 105 HG21 THR 17 1HG2 THR 17 -6.938 -8.822 -7.620 106 HG22 THR 17 2HG2 THR 17 -6.218 -8.454 -9.187 107 HG23 THR 17 3HG2 THR 17 -5.198 -8.570 -7.754 108 H THR 18 H THR 18 -4.813 -12.811 -6.034 109 HA THR 18 HA THR 18 -4.279 -14.966 -7.972 110 HB THR 18 HB THR 18 -3.426 -16.310 -6.150 111 HG1 THR 18 1HG THR 18 -4.301 -15.828 -4.272 112 HG21 THR 18 1HG2 THR 18 -2.071 -13.730 -5.578 113 HG22 THR 18 2HG2 THR 18 -2.094 -14.282 -7.254 114 HG23 THR 18 3HG2 THR 18 -1.386 -15.299 -6.000 115 H ALA 19 H ALA 19 -5.885 -14.605 -4.804 116 HA ALA 19 HA ALA 19 -7.788 -16.672 -5.474 117 HB1 ALA 19 1HB ALA 19 -8.162 -14.992 -3.060 118 HB2 ALA 19 2HB ALA 19 -8.306 -16.739 -3.261 119 HB3 ALA 19 3HB ALA 19 -6.712 -15.994 -3.142 120 H MET 20 H MET 20 -10.157 -16.004 -4.554 121 HA MET 20 HA MET 20 -11.114 -14.092 -6.487 122 HB2 MET 20 1HB MET 20 -13.339 -14.775 -5.767 123 HB3 MET 20 2HB MET 20 -12.332 -16.186 -6.064 124 HG2 MET 20 1HG MET 20 -11.921 -16.348 -3.630 125 HG3 MET 20 2HG MET 20 -13.045 -15.012 -3.388 126 HE1 MET 20 1HE MET 20 -15.826 -15.464 -3.278 127 HE2 MET 20 2HE MET 20 -15.287 -15.126 -4.923 128 HE3 MET 20 3HE MET 20 -16.403 -16.457 -4.617 129 H ASN 21 H ASN 21 -11.387 -11.996 -6.130 130 HA ASN 21 HA ASN 21 -11.646 -9.991 -5.090 131 HB2 ASN 21 1HB ASN 21 -12.917 -11.512 -2.813 132 HB3 ASN 21 2HB ASN 21 -13.205 -9.841 -3.289 133 HD21 ASN 21 1HD2 ASN 21 -14.787 -9.413 -4.685 134 HD22 ASN 21 2HD2 ASN 21 -15.709 -10.601 -5.535 135 H THR 22 H THR 22 -9.204 -11.393 -4.707 136 HA THR 22 HA THR 22 -8.367 -10.197 -2.159 137 HB THR 22 HB THR 22 -7.080 -12.053 -1.493 138 HG1 THR 22 1HG THR 22 -6.267 -12.593 -3.590 139 HG21 THR 22 1HG2 THR 22 -8.680 -13.688 -1.069 140 HG22 THR 22 2HG2 THR 22 -9.448 -13.485 -2.643 141 HG23 THR 22 3HG2 THR 22 -9.663 -12.261 -1.393 142 H ALA 23 H ALA 23 -6.549 -9.021 -2.287 143 HA ALA 23 HA ALA 23 -4.962 -9.225 -4.764 144 HB1 ALA 23 1HB ALA 23 -6.262 -7.140 -4.615 145 HB2 ALA 23 2HB ALA 23 -5.436 -6.752 -3.105 146 HB3 ALA 23 3HB ALA 23 -4.522 -6.849 -4.610 147 H LEU 24 H LEU 24 -3.000 -10.016 -4.426 148 HA LEU 24 HA LEU 24 -1.853 -10.139 -1.795 149 HB2 LEU 24 1HB LEU 24 -1.476 -12.006 -3.194 150 HB3 LEU 24 2HB LEU 24 -0.909 -10.990 -4.518 151 HG LEU 24 HG LEU 24 1.134 -10.497 -3.286 152 HD11 LEU 24 1HD1 LEU 24 0.900 -10.551 -1.053 153 HD12 LEU 24 2HD1 LEU 24 1.347 -12.246 -1.236 154 HD13 LEU 24 3HD1 LEU 24 -0.352 -11.792 -1.106 155 HD21 LEU 24 1HD2 LEU 24 0.378 -13.003 -4.353 156 HD22 LEU 24 2HD2 LEU 24 1.386 -13.315 -2.940 157 HD23 LEU 24 3HD2 LEU 24 1.993 -12.301 -4.249 158 H LEU 25 H LEU 25 -0.345 -8.857 -0.911 159 HA LEU 25 HA LEU 25 0.737 -6.685 -2.580 160 HB2 LEU 25 1HB LEU 25 0.165 -6.777 0.377 161 HB3 LEU 25 2HB LEU 25 1.007 -5.454 -0.428 162 HG LEU 25 HG LEU 25 -1.855 -6.289 -0.894 163 HD11 LEU 25 1HD1 LEU 25 -0.762 -4.765 1.153 164 HD12 LEU 25 2HD1 LEU 25 -2.454 -4.820 0.661 165 HD13 LEU 25 3HD1 LEU 25 -1.384 -3.583 0.001 166 HD21 LEU 25 1HD2 LEU 25 -0.173 -4.118 -2.132 167 HD22 LEU 25 2HD2 LEU 25 -1.933 -4.180 -2.234 168 HD23 LEU 25 3HD2 LEU 25 -0.961 -5.467 -2.949 169 H GLN 26 H GLN 26 2.852 -6.675 -2.934 170 HA GLN 26 HA GLN 26 4.662 -7.814 -0.942 171 HB2 GLN 26 1HB GLN 26 4.665 -8.596 -3.862 172 HB3 GLN 26 2HB GLN 26 5.911 -9.034 -2.700 173 HG2 GLN 26 1HG GLN 26 3.882 -10.033 -1.376 174 HG3 GLN 26 2HG GLN 26 3.127 -10.042 -2.969 175 HE21 GLN 26 1HE2 GLN 26 3.151 -12.396 -2.419 176 HE22 GLN 26 2HE2 GLN 26 4.537 -13.307 -2.904 177 H TRP 27 H TRP 27 6.087 -6.285 -0.487 178 HA TRP 27 HA TRP 27 7.099 -4.606 -2.685 179 HB2 TRP 27 1HB TRP 27 7.273 -2.735 -1.057 180 HB3 TRP 27 2HB TRP 27 5.612 -3.248 -1.339 181 HD1 TRP 27 HD TRP 27 8.355 -3.351 1.346 182 HE1 TRP 27 1HE TRP 27 7.249 -3.822 3.622 183 HE3 TRP 27 3HE TRP 27 3.584 -4.271 -0.245 184 HZ2 TRP 27 2HZ TRP 27 4.693 -4.495 4.612 185 HZ3 TRP 27 3HZ TRP 27 1.868 -4.822 1.430 186 HH2 TRP 27 HH TRP 27 2.413 -4.932 3.807 187 H HIS 28 H HIS 28 9.255 -3.735 -2.344 188 HA HIS 28 HA HIS 28 10.877 -5.424 -0.554 189 HB2 HIS 28 1HB HIS 28 12.317 -5.917 -2.221 190 HB3 HIS 28 2HB HIS 28 10.990 -5.455 -3.283 191 HD1 HIS 28 1HD HIS 28 14.448 -4.774 -2.703 192 HD2 HIS 28 2HD HIS 28 11.180 -2.524 -3.936 193 HE1 HIS 28 1HE HIS 28 15.415 -2.740 -3.822 194 HE2 HIS 28 2HE HIS 28 13.420 -1.353 -4.484 195 HA PRO 29 HA PRO 29 12.512 -1.793 1.290 196 HB2 PRO 29 1HB PRO 29 15.047 -2.581 1.860 197 HB3 PRO 29 2HB PRO 29 13.635 -3.177 2.741 198 HG2 PRO 29 1HG PRO 29 15.170 -4.474 0.522 199 HG3 PRO 29 2HG PRO 29 14.541 -5.192 2.016 200 HD2 PRO 29 1HD PRO 29 13.287 -5.460 -0.369 201 HD3 PRO 29 2HD PRO 29 12.406 -5.391 1.171 202 HA PRO 30 HA PRO 30 14.441 0.378 -2.082 203 HB2 PRO 30 1HB PRO 30 14.651 2.774 -0.823 204 HB3 PRO 30 2HB PRO 30 13.127 2.162 -1.476 205 HG2 PRO 30 1HG PRO 30 14.134 2.115 1.342 206 HG3 PRO 30 2HG PRO 30 12.511 2.500 0.741 207 HD2 PRO 30 1HD PRO 30 13.140 0.085 1.793 208 HD3 PRO 30 2HD PRO 30 11.936 0.280 0.503 209 H LYS 31 H LYS 31 16.506 0.807 -2.676 210 HA LYS 31 HA LYS 31 18.588 0.344 -0.694 211 HB2 LYS 31 1HB LYS 31 18.487 -0.730 -3.033 212 HB3 LYS 31 2HB LYS 31 19.027 0.833 -3.631 213 HG2 LYS 31 1HG LYS 31 21.092 0.664 -2.548 214 HG3 LYS 31 2HG LYS 31 20.529 -0.632 -1.491 215 HD2 LYS 31 1HD LYS 31 20.501 -1.094 -4.431 216 HD3 LYS 31 2HD LYS 31 22.055 -1.123 -3.594 217 HE2 LYS 31 1HE LYS 31 21.342 -3.347 -3.550 218 HE3 LYS 31 2HE LYS 31 20.924 -2.732 -1.952 219 HZ1 LYS 31 1HZ LYS 31 19.197 -4.088 -3.280 220 HZ2 LYS 31 2HZ LYS 31 18.939 -2.645 -4.124 221 HZ3 LYS 31 3HZ LYS 31 18.691 -2.702 -2.452 222 H GLU 32 H GLU 32 16.982 2.961 -2.022 223 HA GLU 32 HA GLU 32 19.274 4.765 -1.857 224 HB2 GLU 32 1HB GLU 32 16.421 5.423 -2.598 225 HB3 GLU 32 2HB GLU 32 17.837 6.436 -2.838 226 HG2 GLU 32 1HG GLU 32 17.812 3.752 -4.101 227 HG3 GLU 32 2HG GLU 32 16.791 5.011 -4.793 228 H LEU 33 H LEU 33 17.646 3.402 0.414 229 HA LEU 33 HA LEU 33 16.615 5.675 1.873 230 HB2 LEU 33 1HB LEU 33 15.497 3.545 2.084 231 HB3 LEU 33 2HB LEU 33 16.986 2.785 2.642 232 HG LEU 33 HG LEU 33 15.840 5.038 4.225 233 HD11 LEU 33 1HD1 LEU 33 13.865 3.886 4.169 234 HD12 LEU 33 2HD1 LEU 33 14.668 3.066 5.507 235 HD13 LEU 33 3HD1 LEU 33 14.650 2.328 3.905 236 HD21 LEU 33 1HD2 LEU 33 17.938 4.241 4.968 237 HD22 LEU 33 2HD2 LEU 33 17.442 2.557 4.802 238 HD23 LEU 33 3HD2 LEU 33 16.738 3.563 6.068 239 HA PRO 34 HA PRO 34 20.667 6.595 3.523 240 HB2 PRO 34 1HB PRO 34 19.873 8.770 4.941 241 HB3 PRO 34 2HB PRO 34 20.139 8.807 3.194 242 HG2 PRO 34 1HG PRO 34 17.573 8.556 4.715 243 HG3 PRO 34 2HG PRO 34 17.934 9.540 3.284 244 HD2 PRO 34 1HD PRO 34 16.628 7.173 3.133 245 HD3 PRO 34 2HD PRO 34 17.700 7.756 1.843 246 H GLY 35 H GLY 35 20.936 4.821 4.904 247 HA2 GLY 35 1HA GLY 35 21.449 4.756 7.374 248 HA3 GLY 35 2HA GLY 35 19.744 5.119 7.591 249 H GLU 36 H GLU 36 18.403 3.459 7.865 250 HA GLU 36 HA GLU 36 18.885 0.910 6.598 251 HB2 GLU 36 1HB GLU 36 19.119 -0.410 8.554 252 HB3 GLU 36 2HB GLU 36 20.276 0.904 8.711 253 HG2 GLU 36 1HG GLU 36 18.349 2.065 10.028 254 HG3 GLU 36 2HG GLU 36 17.749 0.417 10.210 255 H LEU 37 H LEU 37 17.075 -0.477 6.651 256 HA LEU 37 HA LEU 37 14.574 0.862 6.769 257 HB2 LEU 37 1HB LEU 37 15.112 -0.999 5.223 258 HB3 LEU 37 2HB LEU 37 15.115 -2.099 6.600 259 HG LEU 37 HG LEU 37 12.665 -1.199 6.916 260 HD11 LEU 37 1HD1 LEU 37 13.372 0.197 4.638 261 HD12 LEU 37 2HD1 LEU 37 11.737 -0.059 5.246 262 HD13 LEU 37 3HD1 LEU 37 12.405 -1.146 4.029 263 HD21 LEU 37 1HD2 LEU 37 13.760 -3.502 6.006 264 HD22 LEU 37 2HD2 LEU 37 12.787 -3.024 4.615 265 HD23 LEU 37 3HD2 LEU 37 12.027 -3.230 6.194 266 H LEU 38 H LEU 38 13.128 1.025 8.367 267 HA LEU 38 HA LEU 38 13.490 -0.664 10.752 268 HB2 LEU 38 1HB LEU 38 12.677 2.238 10.730 269 HB3 LEU 38 2HB LEU 38 12.875 1.217 12.153 270 HG LEU 38 HG LEU 38 15.163 1.824 10.300 271 HD11 LEU 38 1HD1 LEU 38 15.808 3.593 11.892 272 HD12 LEU 38 2HD1 LEU 38 14.252 3.404 12.701 273 HD13 LEU 38 3HD1 LEU 38 14.314 3.962 11.029 274 HD21 LEU 38 1HD2 LEU 38 15.104 -0.060 12.098 275 HD22 LEU 38 2HD2 LEU 38 15.320 1.273 13.233 276 HD23 LEU 38 3HD2 LEU 38 16.517 0.987 11.969 277 H GLY 39 H GLY 39 11.308 1.017 8.596 278 HA2 GLY 39 1HA GLY 39 9.219 -0.820 8.944 279 HA3 GLY 39 2HA GLY 39 8.898 0.565 9.977 280 H TYR 40 H TYR 40 7.039 0.140 8.176 281 HA TYR 40 HA TYR 40 7.212 2.452 6.478 282 HB2 TYR 40 1HB TYR 40 6.415 0.781 4.513 283 HB3 TYR 40 2HB TYR 40 8.086 1.286 4.737 284 HD1 TYR 40 1HD TYR 40 5.992 -1.231 6.537 285 HD2 TYR 40 2HD TYR 40 9.455 -0.493 4.179 286 HE1 TYR 40 1HE TYR 40 6.662 -3.583 6.796 287 HE2 TYR 40 2HE TYR 40 10.134 -2.843 4.429 288 HH TYR 40 HH TYR 40 9.704 -4.711 6.135 289 H ARG 41 H ARG 41 5.186 3.089 5.625 290 HA ARG 41 HA ARG 41 2.913 1.793 6.967 291 HB2 ARG 41 1HB ARG 41 3.075 4.048 7.671 292 HB3 ARG 41 2HB ARG 41 3.379 4.618 6.036 293 HG2 ARG 41 1HG ARG 41 1.018 3.756 5.513 294 HG3 ARG 41 2HG ARG 41 0.801 3.725 7.264 295 HD2 ARG 41 1HD ARG 41 -0.001 5.824 6.618 296 HD3 ARG 41 2HD ARG 41 1.623 6.145 7.226 297 HE ARG 41 HE ARG 41 1.455 5.710 4.375 298 HH11 ARG 41 2HH1 ARG 41 1.376 8.033 6.968 299 HH12 ARG 41 1HH1 ARG 41 1.810 9.371 5.957 300 HH21 ARG 41 2HH2 ARG 41 2.027 7.464 3.034 301 HH22 ARG 41 1HH2 ARG 41 2.179 9.047 3.719 302 H LEU 42 H LEU 42 0.950 1.480 5.837 303 HA LEU 42 HA LEU 42 1.209 1.510 2.902 304 HB2 LEU 42 1HB LEU 42 1.265 -0.754 4.245 305 HB3 LEU 42 2HB LEU 42 -0.482 -0.526 4.271 306 HG LEU 42 HG LEU 42 1.283 -0.859 1.850 307 HD11 LEU 42 1HD1 LEU 42 0.018 -2.872 1.487 308 HD12 LEU 42 2HD1 LEU 42 -1.012 -2.522 2.875 309 HD13 LEU 42 3HD1 LEU 42 0.693 -2.902 3.116 310 HD21 LEU 42 1HD2 LEU 42 -0.223 0.563 0.928 311 HD22 LEU 42 2HD2 LEU 42 -1.454 0.229 2.146 312 HD23 LEU 42 3HD2 LEU 42 -1.182 -0.915 0.831 313 H GLN 43 H GLN 43 -0.251 2.752 1.950 314 HA GLN 43 HA GLN 43 -2.848 3.148 3.286 315 HB2 GLN 43 1HB GLN 43 -0.974 5.100 2.042 316 HB3 GLN 43 2HB GLN 43 -2.699 5.387 1.851 317 HG2 GLN 43 1HG GLN 43 -2.996 5.401 4.252 318 HG3 GLN 43 2HG GLN 43 -1.291 5.018 4.485 319 HE21 GLN 43 1HE2 GLN 43 -3.053 7.352 5.226 320 HE22 GLN 43 2HE2 GLN 43 -2.176 8.737 4.679 321 H TYR 44 H TYR 44 -4.530 2.448 2.160 322 HA TYR 44 HA TYR 44 -4.569 2.685 -0.736 323 HB2 TYR 44 1HB TYR 44 -5.109 0.341 -1.115 324 HB3 TYR 44 2HB TYR 44 -3.542 0.476 -0.326 325 HD1 TYR 44 1HD TYR 44 -7.146 -0.096 0.438 326 HD2 TYR 44 2HD TYR 44 -3.105 -0.779 1.582 327 HE1 TYR 44 1HE TYR 44 -7.911 -1.630 2.202 328 HE2 TYR 44 2HE TYR 44 -3.859 -2.316 3.348 329 HH TYR 44 HH TYR 44 -7.243 -2.681 4.145 330 H CYS 45 H CYS 45 -6.569 3.075 -1.505 331 HA CYS 45 HA CYS 45 -8.913 2.358 0.062 332 HB2 CYS 45 1HB CYS 45 -9.776 4.754 -0.213 333 HB3 CYS 45 2HB CYS 45 -8.560 4.478 1.027 334 HG CYS 45 HG CYS 45 -7.309 5.366 -1.953 335 H ARG 46 H ARG 46 -10.958 3.043 -1.146 336 HA ARG 46 HA ARG 46 -10.859 1.949 -3.749 337 HB2 ARG 46 1HB ARG 46 -12.993 3.367 -2.175 338 HB3 ARG 46 2HB ARG 46 -13.265 2.884 -3.844 339 HG2 ARG 46 1HG ARG 46 -12.519 0.544 -3.043 340 HG3 ARG 46 2HG ARG 46 -12.854 1.174 -1.429 341 HD2 ARG 46 1HD ARG 46 -14.896 1.505 -3.577 342 HD3 ARG 46 2HD ARG 46 -14.714 -0.067 -2.800 343 HE ARG 46 HE ARG 46 -14.903 1.898 -0.813 344 HH11 ARG 46 2HH1 ARG 46 -16.859 0.399 -3.272 345 HH12 ARG 46 1HH1 ARG 46 -18.347 0.636 -2.417 346 HH21 ARG 46 2HH2 ARG 46 -16.856 2.216 0.322 347 HH22 ARG 46 1HH2 ARG 46 -18.344 1.671 -0.373 348 H ALA 47 H ALA 47 -11.445 2.971 -5.755 349 HA ALA 47 HA ALA 47 -10.011 5.352 -6.251 350 HB1 ALA 47 1HB ALA 47 -10.089 4.268 -8.209 351 HB2 ALA 47 2HB ALA 47 -11.601 3.453 -7.810 352 HB3 ALA 47 3HB ALA 47 -11.626 5.103 -8.432 353 H ASP 48 H ASP 48 -13.045 4.885 -4.903 354 HA ASP 48 HA ASP 48 -13.972 7.549 -5.744 355 HB2 ASP 48 1HB ASP 48 -15.630 5.930 -6.278 356 HB3 ASP 48 2HB ASP 48 -15.466 5.141 -4.711 357 H GLU 49 H GLU 49 -12.422 6.014 -3.262 358 HA GLU 49 HA GLU 49 -13.681 7.497 -1.101 359 HB2 GLU 49 1HB GLU 49 -11.653 5.328 -1.296 360 HB3 GLU 49 2HB GLU 49 -11.591 6.374 0.115 361 HG2 GLU 49 1HG GLU 49 -13.969 5.842 0.555 362 HG3 GLU 49 2HG GLU 49 -13.923 4.702 -0.789 363 H ALA 50 H ALA 50 -12.558 8.991 0.227 364 HA ALA 50 HA ALA 50 -10.396 10.396 -1.192 365 HB1 ALA 50 1HB ALA 50 -12.288 11.489 0.886 366 HB2 ALA 50 2HB ALA 50 -11.091 12.404 -0.032 367 HB3 ALA 50 3HB ALA 50 -12.471 11.680 -0.858 368 H ARG 51 H ARG 51 -11.357 8.987 1.864 369 HA ARG 51 HA ARG 51 -8.845 9.808 3.114 370 HB2 ARG 51 1HB ARG 51 -11.206 8.329 4.292 371 HB3 ARG 51 2HB ARG 51 -9.811 8.921 5.185 372 HG2 ARG 51 1HG ARG 51 -10.423 11.228 4.512 373 HG3 ARG 51 2HG ARG 51 -11.884 10.577 3.765 374 HD2 ARG 51 1HD ARG 51 -12.685 11.181 5.830 375 HD3 ARG 51 2HD ARG 51 -12.243 9.499 6.122 376 HE ARG 51 HE ARG 51 -10.749 10.251 7.663 377 HH11 ARG 51 2HH1 ARG 51 -11.325 12.802 5.365 378 HH12 ARG 51 1HH1 ARG 51 -10.320 13.948 6.188 379 HH21 ARG 51 2HH2 ARG 51 -9.423 11.750 8.756 380 HH22 ARG 51 1HH2 ARG 51 -9.237 13.348 8.117 381 HA PRO 52 HA PRO 52 -7.265 5.806 1.806 382 HB2 PRO 52 1HB PRO 52 -4.699 6.333 2.516 383 HB3 PRO 52 2HB PRO 52 -5.422 6.930 1.018 384 HG2 PRO 52 1HG PRO 52 -5.013 8.351 3.621 385 HG3 PRO 52 2HG PRO 52 -4.746 8.941 1.970 386 HD2 PRO 52 1HD PRO 52 -6.957 9.569 3.401 387 HD3 PRO 52 2HD PRO 52 -6.981 9.392 1.635 388 H ASN 53 H ASN 53 -6.977 3.952 2.922 389 HA ASN 53 HA ASN 53 -7.266 4.002 5.777 390 HB2 ASN 53 1HB ASN 53 -6.958 1.774 3.766 391 HB3 ASN 53 2HB ASN 53 -7.055 1.472 5.498 392 HD21 ASN 53 1HD2 ASN 53 -8.788 1.777 2.687 393 HD22 ASN 53 2HD2 ASN 53 -10.364 1.993 3.360 394 H THR 54 H THR 54 -5.529 4.667 6.900 395 HA THR 54 HA THR 54 -2.841 4.083 6.125 396 HB THR 54 HB THR 54 -3.845 5.110 8.787 397 HG1 THR 54 1HG THR 54 -3.201 7.169 7.804 398 HG21 THR 54 1HG2 THR 54 -1.378 6.190 8.383 399 HG22 THR 54 2HG2 THR 54 -1.179 4.592 7.664 400 HG23 THR 54 3HG2 THR 54 -1.692 4.746 9.344 401 H ILE 55 H ILE 55 -1.504 2.492 6.782 402 HA ILE 55 HA ILE 55 -2.344 0.743 8.977 403 HB ILE 55 HB ILE 55 -1.438 -0.307 6.294 404 HG12 ILE 55 1HG1 ILE 55 -4.163 -0.571 7.574 405 HG13 ILE 55 2HG1 ILE 55 -3.775 0.651 6.368 406 HG21 ILE 55 1HG2 ILE 55 -2.633 -2.297 7.903 407 HG22 ILE 55 2HG2 ILE 55 -0.956 -2.183 7.372 408 HG23 ILE 55 3HG2 ILE 55 -1.448 -1.456 8.902 409 HD11 ILE 55 1HD1 ILE 55 -4.114 -2.280 6.064 410 HD12 ILE 55 2HD1 ILE 55 -4.688 -0.959 5.046 411 HD13 ILE 55 3HD1 ILE 55 -2.994 -1.445 4.988 412 H ASP 56 H ASP 56 -0.692 -0.122 10.161 413 HA ASP 56 HA ASP 56 1.976 0.924 9.574 414 HB2 ASP 56 1HB ASP 56 0.687 1.074 11.869 415 HB3 ASP 56 2HB ASP 56 1.322 -0.554 12.092 416 H PHE 57 H PHE 57 3.737 -0.340 9.215 417 HA PHE 57 HA PHE 57 3.437 -3.248 9.400 418 HB2 PHE 57 1HB PHE 57 4.077 -1.670 6.929 419 HB3 PHE 57 2HB PHE 57 4.719 -3.297 7.127 420 HD1 PHE 57 1HD PHE 57 2.987 -5.143 7.698 421 HD2 PHE 57 2HD PHE 57 1.987 -1.369 6.002 422 HE1 PHE 57 1HE PHE 57 0.868 -6.080 6.872 423 HE2 PHE 57 2HE PHE 57 -0.134 -2.300 5.174 424 HZ PHE 57 HZ PHE 57 -0.697 -4.658 5.609 425 H GLY 58 H GLY 58 5.231 -4.288 10.086 426 HA2 GLY 58 1HA GLY 58 7.472 -2.656 10.929 427 HA3 GLY 58 2HA GLY 58 7.226 -4.360 11.285 428 H LYS 59 H LYS 59 9.688 -3.193 10.493 429 HA LYS 59 HA LYS 59 10.368 -3.316 7.835 430 HB2 LYS 59 1HB LYS 59 12.644 -3.853 8.565 431 HB3 LYS 59 2HB LYS 59 11.925 -2.615 9.587 432 HG2 LYS 59 1HG LYS 59 11.334 -4.487 11.191 433 HG3 LYS 59 2HG LYS 59 12.407 -5.507 10.229 434 HD2 LYS 59 1HD LYS 59 14.296 -4.323 10.844 435 HD3 LYS 59 2HD LYS 59 13.380 -2.867 11.239 436 HE2 LYS 59 1HE LYS 59 12.410 -4.081 13.182 437 HE3 LYS 59 2HE LYS 59 13.477 -5.436 12.816 438 HZ1 LYS 59 1HZ LYS 59 14.448 -2.689 13.377 439 HZ2 LYS 59 2HZ LYS 59 15.374 -4.099 13.254 440 HZ3 LYS 59 3HZ LYS 59 14.315 -3.894 14.558 441 H ASP 60 H ASP 60 9.330 -5.874 9.845 442 HA ASP 60 HA ASP 60 10.536 -7.985 8.282 443 HB2 ASP 60 1HB ASP 60 9.964 -8.073 10.788 444 HB3 ASP 60 2HB ASP 60 8.300 -8.331 10.270 445 H ASP 61 H ASP 61 7.401 -6.416 8.562 446 HA ASP 61 HA ASP 61 6.000 -8.236 6.885 447 HB2 ASP 61 1HB ASP 61 5.457 -5.551 8.054 448 HB3 ASP 61 2HB ASP 61 4.479 -6.055 6.678 449 H GLN 62 H GLN 62 7.026 -8.558 4.951 450 HA GLN 62 HA GLN 62 7.601 -6.219 3.283 451 HB2 GLN 62 1HB GLN 62 8.425 -9.114 3.075 452 HB3 GLN 62 2HB GLN 62 8.730 -7.939 1.802 453 HG2 GLN 62 1HG GLN 62 10.036 -6.589 3.385 454 HG3 GLN 62 2HG GLN 62 9.766 -7.814 4.624 455 HE21 GLN 62 1HE2 GLN 62 11.059 -7.399 1.358 456 HE22 GLN 62 2HE2 GLN 62 12.317 -8.573 1.517 457 H HIS 63 H HIS 63 5.065 -8.180 3.857 458 HA HIS 63 HA HIS 63 3.823 -7.539 1.336 459 HB2 HIS 63 1HB HIS 63 3.089 -10.086 1.219 460 HB3 HIS 63 2HB HIS 63 4.564 -9.519 0.442 461 HD1 HIS 63 1HD HIS 63 6.722 -10.552 1.192 462 HD2 HIS 63 2HD HIS 63 3.556 -11.451 3.728 463 HE1 HIS 63 1HE HIS 63 7.612 -12.274 2.795 464 HE2 HIS 63 2HE HIS 63 5.654 -12.865 4.265 465 H PHE 64 H PHE 64 1.501 -8.280 1.312 466 HA PHE 64 HA PHE 64 0.356 -8.809 3.931 467 HB2 PHE 64 1HB PHE 64 0.623 -6.295 3.681 468 HB3 PHE 64 2HB PHE 64 -0.553 -6.388 2.375 469 HD1 PHE 64 2HD PHE 64 -0.199 -7.606 5.887 470 HD2 PHE 64 1HD PHE 64 -2.715 -5.882 2.919 471 HE1 PHE 64 2HE PHE 64 -2.025 -7.455 7.529 472 HE2 PHE 64 1HE PHE 64 -4.545 -5.726 4.557 473 HZ PHE 64 HZ PHE 64 -4.202 -6.514 6.865 474 H THR 65 H THR 65 -1.779 -9.577 3.859 475 HA THR 65 HA THR 65 -2.663 -10.390 1.170 476 HB THR 65 HB THR 65 -3.365 -11.716 3.794 477 HG1 THR 65 1HG THR 65 -1.785 -13.218 3.272 478 HG21 THR 65 1HG2 THR 65 -3.530 -13.058 1.141 479 HG22 THR 65 2HG2 THR 65 -4.787 -11.896 1.566 480 HG23 THR 65 3HG2 THR 65 -4.501 -13.301 2.592 481 H VAL 66 H VAL 66 -4.333 -9.263 0.437 482 HA VAL 66 HA VAL 66 -6.309 -8.240 2.367 483 HB VAL 66 HB VAL 66 -5.706 -7.244 -0.422 484 HG11 VAL 66 1HG1 VAL 66 -8.045 -6.940 0.148 485 HG12 VAL 66 2HG1 VAL 66 -7.596 -6.189 1.680 486 HG13 VAL 66 3HG1 VAL 66 -7.209 -5.387 0.157 487 HG21 VAL 66 1HG2 VAL 66 -4.969 -6.217 2.307 488 HG22 VAL 66 2HG2 VAL 66 -3.900 -6.607 0.959 489 HG23 VAL 66 3HG2 VAL 66 -4.953 -5.195 0.869 490 H THR 67 H THR 67 -8.249 -9.149 2.367 491 HA THR 67 HA THR 67 -9.220 -10.423 -0.104 492 HB THR 67 HB THR 67 -10.182 -12.248 1.141 493 HG1 THR 67 1HG THR 67 -9.042 -11.083 3.480 494 HG21 THR 67 1HG2 THR 67 -7.629 -12.135 0.565 495 HG22 THR 67 2HG2 THR 67 -8.255 -13.452 1.556 496 HG23 THR 67 3HG2 THR 67 -7.439 -12.087 2.317 497 H GLY 68 H GLY 68 -11.467 -10.384 -0.442 498 HA2 GLY 68 1HA GLY 68 -13.701 -9.837 0.166 499 HA3 GLY 68 2HA GLY 68 -13.072 -8.836 1.466 500 H LEU 69 H LEU 69 -11.297 -8.292 -1.305 501 HA LEU 69 HA LEU 69 -12.154 -5.634 -1.584 502 HB2 LEU 69 1HB LEU 69 -10.626 -7.402 -3.486 503 HB3 LEU 69 2HB LEU 69 -10.835 -5.665 -3.694 504 HG LEU 69 HG LEU 69 -9.428 -6.948 -1.354 505 HD11 LEU 69 1HD1 LEU 69 -7.498 -5.648 -2.696 506 HD12 LEU 69 2HD1 LEU 69 -8.503 -6.177 -4.044 507 HD13 LEU 69 3HD1 LEU 69 -7.852 -7.362 -2.911 508 HD21 LEU 69 1HD2 LEU 69 -10.500 -4.390 -1.674 509 HD22 LEU 69 2HD2 LEU 69 -8.767 -4.208 -1.944 510 HD23 LEU 69 3HD2 LEU 69 -9.355 -4.924 -0.443 511 H HIS 70 H HIS 70 -13.813 -4.751 -2.627 512 HA HIS 70 HA HIS 70 -15.840 -6.269 -3.822 513 HB2 HIS 70 1HB HIS 70 -15.212 -3.365 -3.618 514 HB3 HIS 70 2HB HIS 70 -16.402 -3.858 -4.819 515 HD1 HIS 70 1HD HIS 70 -18.567 -3.199 -3.789 516 HD2 HIS 70 2HD HIS 70 -16.107 -5.209 -1.111 517 HE1 HIS 70 1HE HIS 70 -19.959 -3.538 -1.722 518 HE2 HIS 70 2HE HIS 70 -18.422 -4.681 -0.086 519 H LYS 71 H LYS 71 -15.861 -7.270 -5.712 520 HA LYS 71 HA LYS 71 -13.863 -6.937 -7.680 521 HB2 LYS 71 1HB LYS 71 -15.138 -8.507 -9.005 522 HB3 LYS 71 2HB LYS 71 -15.142 -9.033 -7.327 523 HG2 LYS 71 1HG LYS 71 -17.369 -8.641 -7.059 524 HG3 LYS 71 2HG LYS 71 -17.399 -7.347 -8.259 525 HD2 LYS 71 1HD LYS 71 -17.638 -8.798 -10.017 526 HD3 LYS 71 2HD LYS 71 -16.810 -10.115 -9.182 527 HE2 LYS 71 1HE LYS 71 -19.052 -10.785 -9.267 528 HE3 LYS 71 2HE LYS 71 -18.835 -10.170 -7.629 529 HZ1 LYS 71 1HZ LYS 71 -20.872 -9.325 -8.511 530 HZ2 LYS 71 2HZ LYS 71 -20.107 -8.752 -9.906 531 HZ3 LYS 71 3HZ LYS 71 -19.778 -8.039 -8.408 532 H GLY 72 H GLY 72 -13.963 -6.041 -9.756 533 HA2 GLY 72 1HA GLY 72 -14.633 -4.581 -11.404 534 HA3 GLY 72 2HA GLY 72 -16.264 -4.699 -10.759 535 H THR 73 H THR 73 -13.542 -3.687 -8.814 536 HA THR 73 HA THR 73 -14.452 -0.897 -8.979 537 HB THR 73 HB THR 73 -13.916 -2.409 -6.415 538 HG1 THR 73 1HG THR 73 -16.198 -1.501 -6.132 539 HG21 THR 73 1HG2 THR 73 -13.067 -0.265 -6.008 540 HG22 THR 73 2HG2 THR 73 -14.728 -0.177 -5.421 541 HG23 THR 73 3HG2 THR 73 -14.309 0.512 -6.989 542 H THR 74 H THR 74 -12.834 0.482 -9.294 543 HA THR 74 HA THR 74 -10.127 -0.428 -9.386 544 HB THR 74 HB THR 74 -11.167 2.405 -9.591 545 HG1 THR 74 1HG THR 74 -10.404 0.863 -11.813 546 HG21 THR 74 1HG2 THR 74 -8.606 1.717 -9.218 547 HG22 THR 74 2HG2 THR 74 -9.091 3.070 -10.240 548 HG23 THR 74 3HG2 THR 74 -8.700 1.512 -10.967 549 H TYR 75 H TYR 75 -8.431 0.020 -8.037 550 HA TYR 75 HA TYR 75 -9.036 1.489 -5.560 551 HB2 TYR 75 1HB TYR 75 -7.843 -1.241 -5.888 552 HB3 TYR 75 2HB TYR 75 -7.380 -0.247 -4.511 553 HD1 TYR 75 2HD TYR 75 -10.186 -1.987 -6.149 554 HD2 TYR 75 1HD TYR 75 -8.888 0.123 -2.689 555 HE1 TYR 75 2HE TYR 75 -12.208 -2.716 -4.953 556 HE2 TYR 75 1HE TYR 75 -10.906 -0.601 -1.484 557 HH TYR 75 HH TYR 75 -12.615 -2.179 -1.536 558 H ILE 76 H ILE 76 -7.048 2.171 -4.385 559 HA ILE 76 HA ILE 76 -4.766 2.609 -6.187 560 HB ILE 76 HB ILE 76 -5.777 4.762 -4.341 561 HG12 ILE 76 1HG1 ILE 76 -6.230 4.806 -7.309 562 HG13 ILE 76 2HG1 ILE 76 -7.387 4.005 -6.251 563 HG21 ILE 76 1HG2 ILE 76 -4.361 6.209 -5.663 564 HG22 ILE 76 2HG2 ILE 76 -3.421 4.847 -5.057 565 HG23 ILE 76 3HG2 ILE 76 -3.952 4.873 -6.738 566 HD11 ILE 76 1HD1 ILE 76 -7.855 6.037 -5.107 567 HD12 ILE 76 2HD1 ILE 76 -6.533 6.868 -5.927 568 HD13 ILE 76 3HD1 ILE 76 -7.953 6.355 -6.838 569 H PHE 77 H PHE 77 -3.244 1.400 -5.224 570 HA PHE 77 HA PHE 77 -3.003 1.377 -2.323 571 HB2 PHE 77 1HB PHE 77 -1.671 -0.181 -4.531 572 HB3 PHE 77 2HB PHE 77 -1.107 -0.264 -2.865 573 HD1 PHE 77 1HD PHE 77 -3.820 -1.110 -5.170 574 HD2 PHE 77 2HD PHE 77 -2.393 -1.388 -1.170 575 HE1 PHE 77 1HE PHE 77 -5.508 -2.835 -4.691 576 HE2 PHE 77 2HE PHE 77 -4.078 -3.114 -0.685 577 HZ PHE 77 HZ PHE 77 -5.638 -3.840 -2.447 578 H ARG 78 H ARG 78 -1.233 2.118 -1.181 579 HA ARG 78 HA ARG 78 0.896 3.483 -2.644 580 HB2 ARG 78 1HB ARG 78 -0.970 4.790 -0.674 581 HB3 ARG 78 2HB ARG 78 0.634 5.432 -1.000 582 HG2 ARG 78 1HG ARG 78 -0.028 5.506 -3.436 583 HG3 ARG 78 2HG ARG 78 -1.676 5.171 -2.899 584 HD2 ARG 78 1HD ARG 78 -1.449 7.177 -1.378 585 HD3 ARG 78 2HD ARG 78 0.041 7.554 -2.242 586 HE ARG 78 HE ARG 78 -1.718 7.341 -4.248 587 HH11 ARG 78 2HH1 ARG 78 -1.862 9.045 -1.216 588 HH12 ARG 78 1HH1 ARG 78 -2.885 10.305 -1.824 589 HH21 ARG 78 2HH2 ARG 78 -3.064 8.994 -5.060 590 HH22 ARG 78 1HH2 ARG 78 -3.568 10.274 -4.010 591 H LEU 79 H LEU 79 2.848 3.389 -1.650 592 HA LEU 79 HA LEU 79 2.946 2.451 1.131 593 HB2 LEU 79 1HB LEU 79 3.255 0.571 -0.499 594 HB3 LEU 79 2HB LEU 79 4.713 1.385 -1.062 595 HG LEU 79 HG LEU 79 5.619 1.176 1.268 596 HD11 LEU 79 1HD1 LEU 79 4.382 0.398 2.937 597 HD12 LEU 79 2HD1 LEU 79 3.947 -1.041 2.017 598 HD13 LEU 79 3HD1 LEU 79 2.991 0.432 1.852 599 HD21 LEU 79 1HD2 LEU 79 6.558 -0.350 -0.172 600 HD22 LEU 79 2HD2 LEU 79 5.019 -1.140 -0.514 601 HD23 LEU 79 3HD2 LEU 79 5.830 -1.419 1.028 602 H ALA 80 H ALA 80 5.057 2.799 2.160 603 HA ALA 80 HA ALA 80 6.878 4.653 0.885 604 HB1 ALA 80 1HB ALA 80 6.652 6.283 2.821 605 HB2 ALA 80 2HB ALA 80 5.352 6.283 1.628 606 HB3 ALA 80 3HB ALA 80 5.124 5.479 3.181 607 H ALA 81 H ALA 81 8.892 4.724 1.859 608 HA ALA 81 HA ALA 81 9.396 2.595 3.782 609 HB1 ALA 81 1HB ALA 81 11.766 4.010 3.006 610 HB2 ALA 81 2HB ALA 81 11.305 2.338 2.681 611 HB3 ALA 81 3HB ALA 81 10.801 3.622 1.581 612 H LYS 82 H LYS 82 10.476 2.892 5.744 613 HA LYS 82 HA LYS 82 10.619 5.671 6.710 614 HB2 LYS 82 1HB LYS 82 8.677 4.086 7.542 615 HB3 LYS 82 2HB LYS 82 9.938 3.450 8.590 616 HG2 LYS 82 1HG LYS 82 10.194 5.479 9.713 617 HG3 LYS 82 2HG LYS 82 9.368 6.388 8.446 618 HD2 LYS 82 1HD LYS 82 7.870 6.209 10.294 619 HD3 LYS 82 2HD LYS 82 7.280 5.129 9.029 620 HE2 LYS 82 1HE LYS 82 7.113 3.803 10.913 621 HE3 LYS 82 2HE LYS 82 8.687 3.333 10.273 622 HZ1 LYS 82 1HZ LYS 82 9.277 5.416 11.900 623 HZ2 LYS 82 2HZ LYS 82 9.428 3.782 12.311 624 HZ3 LYS 82 3HZ LYS 82 8.036 4.638 12.747 625 H ASN 83 H ASN 83 12.597 6.212 7.331 626 HA ASN 83 HA ASN 83 14.401 4.086 8.286 627 HB2 ASN 83 1HB ASN 83 16.269 5.398 7.383 628 HB3 ASN 83 2HB ASN 83 15.112 4.994 6.118 629 HD21 ASN 83 1HD2 ASN 83 16.362 6.808 5.115 630 HD22 ASN 83 2HD2 ASN 83 15.757 8.408 5.359 631 H ARG 84 H ARG 84 16.406 5.381 9.401 632 HA ARG 84 HA ARG 84 15.614 6.078 11.918 633 HB2 ARG 84 1HB ARG 84 17.991 5.711 10.917 634 HB3 ARG 84 2HB ARG 84 17.980 7.455 10.692 635 HG2 ARG 84 1HG ARG 84 18.993 7.275 12.736 636 HG3 ARG 84 2HG ARG 84 17.307 7.487 13.213 637 HD2 ARG 84 1HD ARG 84 17.117 4.992 13.318 638 HD3 ARG 84 2HD ARG 84 18.859 4.910 13.062 639 HE ARG 84 HE ARG 84 19.142 5.423 15.263 640 HH11 ARG 84 2HH1 ARG 84 15.970 6.471 14.283 641 HH12 ARG 84 1HH1 ARG 84 15.496 6.956 15.877 642 HH21 ARG 84 2HH2 ARG 84 18.529 6.058 17.366 643 HH22 ARG 84 1HH2 ARG 84 16.952 6.722 17.629 644 H ALA 85 H ALA 85 15.872 8.169 9.103 645 HA ALA 85 HA ALA 85 15.367 10.588 10.565 646 HB1 ALA 85 1HB ALA 85 16.649 10.472 8.420 647 HB2 ALA 85 2HB ALA 85 15.122 10.163 7.593 648 HB3 ALA 85 3HB ALA 85 15.369 11.685 8.449 649 H GLY 86 H GLY 86 13.444 8.210 8.865 650 HA2 GLY 86 1HA GLY 86 11.103 8.170 9.861 651 HA3 GLY 86 2HA GLY 86 11.037 9.849 9.344 652 H LEU 87 H LEU 87 9.114 9.079 8.172 653 HA LEU 87 HA LEU 87 9.355 7.250 6.014 654 HB2 LEU 87 1HB LEU 87 7.308 9.428 6.393 655 HB3 LEU 87 2HB LEU 87 7.160 8.015 5.351 656 HG LEU 87 HG LEU 87 7.556 7.577 8.268 657 HD11 LEU 87 1HD1 LEU 87 5.691 8.584 8.910 658 HD12 LEU 87 2HD1 LEU 87 4.767 7.676 7.714 659 HD13 LEU 87 3HD1 LEU 87 5.484 9.228 7.281 660 HD21 LEU 87 1HD2 LEU 87 5.905 5.737 7.707 661 HD22 LEU 87 2HD2 LEU 87 7.495 5.621 6.954 662 HD23 LEU 87 3HD2 LEU 87 6.115 6.198 6.018 663 H GLY 88 H GLY 88 9.382 7.663 3.770 664 HA2 GLY 88 1HA GLY 88 10.417 10.339 3.056 665 HA3 GLY 88 2HA GLY 88 11.051 8.855 2.359 666 H GLU 89 H GLU 89 10.537 8.992 0.258 667 HA GLU 89 HA GLU 89 8.231 10.226 -0.776 668 HB2 GLU 89 1HB GLU 89 10.263 8.328 -1.898 669 HB3 GLU 89 2HB GLU 89 8.837 8.745 -2.839 670 HG2 GLU 89 1HG GLU 89 10.517 10.911 -1.665 671 HG3 GLU 89 2HG GLU 89 11.042 10.087 -3.132 672 H GLU 90 H GLU 90 6.701 8.935 -2.285 673 HA GLU 90 HA GLU 90 5.884 6.405 -1.052 674 HB2 GLU 90 1HB GLU 90 3.487 7.208 -1.181 675 HB3 GLU 90 2HB GLU 90 4.474 7.940 0.076 676 HG2 GLU 90 1HG GLU 90 4.487 9.987 -0.926 677 HG3 GLU 90 2HG GLU 90 4.300 9.319 -2.547 678 H PHE 91 H PHE 91 4.914 4.958 -2.429 679 HA PHE 91 HA PHE 91 5.053 5.654 -5.271 680 HB2 PHE 91 1HB PHE 91 6.309 3.660 -4.405 681 HB3 PHE 91 2HB PHE 91 4.759 2.912 -4.035 682 HD1 PHE 91 2HD PHE 91 3.174 2.406 -5.904 683 HD2 PHE 91 1HD PHE 91 7.199 3.617 -6.578 684 HE1 PHE 91 2HE PHE 91 3.051 1.526 -8.198 685 HE2 PHE 91 1HE PHE 91 7.082 2.739 -8.873 686 HZ PHE 91 HZ PHE 91 5.007 1.691 -9.686 687 H GLU 92 H GLU 92 3.361 5.107 -6.713 688 HA GLU 92 HA GLU 92 0.747 4.664 -5.431 689 HB2 GLU 92 1HB GLU 92 0.877 7.001 -6.034 690 HB3 GLU 92 2HB GLU 92 1.419 6.594 -7.657 691 HG2 GLU 92 1HG GLU 92 -1.247 5.719 -6.596 692 HG3 GLU 92 2HG GLU 92 -1.005 7.280 -7.379 693 H LYS 93 H LYS 93 -0.656 3.306 -6.457 694 HA LYS 93 HA LYS 93 -0.033 2.330 -9.128 695 HB2 LYS 93 1HB LYS 93 1.079 0.927 -7.175 696 HB3 LYS 93 2HB LYS 93 -0.536 0.241 -7.056 697 HG2 LYS 93 1HG LYS 93 1.044 0.330 -9.613 698 HG3 LYS 93 2HG LYS 93 1.065 -1.034 -8.492 699 HD2 LYS 93 1HD LYS 93 -1.445 -1.116 -8.730 700 HD3 LYS 93 2HD LYS 93 -1.279 0.049 -10.046 701 HE2 LYS 93 1HE LYS 93 0.266 -2.522 -10.029 702 HE3 LYS 93 2HE LYS 93 -1.389 -2.453 -10.632 703 HZ1 LYS 93 1HZ LYS 93 1.034 -1.565 -11.867 704 HZ2 LYS 93 2HZ LYS 93 -0.151 -0.359 -11.856 705 HZ3 LYS 93 3HZ LYS 93 -0.481 -1.862 -12.558 706 H GLU 94 H GLU 94 -1.830 1.947 -10.275 707 HA GLU 94 HA GLU 94 -4.386 1.885 -8.813 708 HB2 GLU 94 1HB GLU 94 -4.011 3.837 -10.322 709 HB3 GLU 94 2HB GLU 94 -3.908 2.722 -11.677 710 HG2 GLU 94 1HG GLU 94 -6.211 1.973 -11.181 711 HG3 GLU 94 2HG GLU 94 -6.300 3.197 -9.915 712 H ILE 95 H ILE 95 -5.683 0.167 -9.014 713 HA ILE 95 HA ILE 95 -5.256 -1.693 -11.241 714 HB ILE 95 HB ILE 95 -5.271 -3.625 -9.833 715 HG12 ILE 95 1HG1 ILE 95 -6.808 -2.904 -8.108 716 HG13 ILE 95 2HG1 ILE 95 -5.304 -3.414 -7.350 717 HG21 ILE 95 1HG2 ILE 95 -3.087 -3.458 -9.454 718 HG22 ILE 95 2HG2 ILE 95 -3.219 -1.745 -9.847 719 HG23 ILE 95 3HG2 ILE 95 -3.338 -2.276 -8.170 720 HD11 ILE 95 1HD1 ILE 95 -5.671 -1.496 -6.203 721 HD12 ILE 95 2HD1 ILE 95 -4.760 -0.835 -7.561 722 HD13 ILE 95 3HD1 ILE 95 -6.520 -0.724 -7.542 723 H ARG 96 H ARG 96 -7.041 -3.529 -10.988 724 HA ARG 96 HA ARG 96 -9.567 -2.475 -10.013 725 HB2 ARG 96 1HB ARG 96 -9.314 -1.564 -12.318 726 HB3 ARG 96 2HB ARG 96 -9.215 -3.212 -12.923 727 HG2 ARG 96 1HG ARG 96 -11.448 -3.651 -12.462 728 HG3 ARG 96 2HG ARG 96 -11.573 -2.314 -11.317 729 HD2 ARG 96 1HD ARG 96 -11.550 -0.705 -13.058 730 HD3 ARG 96 2HD ARG 96 -11.065 -1.906 -14.254 731 HE ARG 96 HE ARG 96 -13.729 -1.384 -13.298 732 HH11 ARG 96 2HH1 ARG 96 -11.615 -3.711 -14.794 733 HH12 ARG 96 1HH1 ARG 96 -12.904 -4.592 -15.546 734 HH21 ARG 96 2HH2 ARG 96 -15.434 -2.536 -14.282 735 HH22 ARG 96 1HH2 ARG 96 -15.075 -3.923 -15.255 736 H THR 97 H THR 97 -10.479 -4.091 -8.949 737 HA THR 97 HA THR 97 -9.649 -6.761 -9.072 738 HB THR 97 HB THR 97 -11.892 -7.216 -7.895 739 HG1 THR 97 1HG THR 97 -11.983 -4.418 -7.549 740 HG21 THR 97 1HG2 THR 97 -9.950 -5.208 -6.746 741 HG22 THR 97 2HG2 THR 97 -9.804 -6.964 -6.675 742 HG23 THR 97 3HG2 THR 97 -11.109 -6.151 -5.810 743 HA PRO 98 HA PRO 98 -11.718 -8.377 -12.606 744 HB2 PRO 98 1HB PRO 98 -11.826 -10.994 -11.888 745 HB3 PRO 98 2HB PRO 98 -10.332 -10.198 -12.398 746 HG2 PRO 98 1HG PRO 98 -11.312 -10.794 -9.633 747 HG3 PRO 98 2HG PRO 98 -9.682 -10.979 -10.306 748 HD2 PRO 98 1HD PRO 98 -10.389 -8.871 -8.760 749 HD3 PRO 98 2HD PRO 98 -9.191 -8.740 -10.064 750 H GLU 99 H GLU 99 -13.808 -8.044 -13.010 751 HA GLU 99 HA GLU 99 -15.817 -8.644 -11.001 752 HB2 GLU 99 1HB GLU 99 -17.372 -7.610 -12.715 753 HB3 GLU 99 2HB GLU 99 -16.126 -6.552 -12.067 754 HG2 GLU 99 1HG GLU 99 -14.993 -6.440 -14.041 755 HG3 GLU 99 2HG GLU 99 -15.544 -8.027 -14.576 756 H ASP 100 H ASP 100 -17.831 -9.763 -11.642 757 HA ASP 100 HA ASP 100 -17.171 -12.170 -13.163 758 HB2 ASP 100 1HB ASP 100 -18.087 -12.450 -10.895 759 HB3 ASP 100 2HB ASP 100 -19.540 -11.579 -11.376 760 H LEU 101 H LEU 101 -18.536 -12.998 -14.793 761 HA LEU 101 HA LEU 101 -19.983 -10.910 -16.244 762 HB2 LEU 101 1HB LEU 101 -18.170 -12.272 -17.332 763 HB3 LEU 101 2HB LEU 101 -19.242 -13.665 -17.206 764 HG LEU 101 HG LEU 101 -19.241 -12.682 -19.454 765 HD11 LEU 101 1HD1 LEU 101 -21.945 -11.988 -18.532 766 HD12 LEU 101 2HD1 LEU 101 -21.366 -13.582 -18.052 767 HD13 LEU 101 3HD1 LEU 101 -21.420 -13.142 -19.759 768 HD21 LEU 101 1HD2 LEU 101 -19.517 -10.503 -19.886 769 HD22 LEU 101 2HD2 LEU 101 -19.114 -10.271 -18.184 770 HD23 LEU 101 3HD2 LEU 101 -20.803 -10.329 -18.691 771 H SER 102 H SER 102 -22.113 -10.808 -16.074 772 HA SER 102 HA SER 102 -23.831 -13.007 -16.435 773 HB2 SER 102 1HB SER 102 -23.078 -13.589 -14.150 774 HB3 SER 102 2HB SER 102 -23.652 -12.023 -13.576 775 HG SER 102 HG SER 102 -25.716 -12.916 -14.725 776 H GLY 103 H GLY 103 -25.469 -12.084 -17.461 777 HA2 GLY 103 1HA GLY 103 -26.450 -9.481 -16.464 778 HA3 GLY 103 2HA GLY 103 -26.273 -9.811 -18.181 779 HA PRO 104 HA PRO 104 -30.415 -11.377 -16.251 780 HB2 PRO 104 1HB PRO 104 -31.948 -9.136 -16.301 781 HB3 PRO 104 2HB PRO 104 -31.009 -9.627 -14.886 782 HG2 PRO 104 1HG PRO 104 -30.352 -7.595 -16.984 783 HG3 PRO 104 2HG PRO 104 -30.147 -7.494 -15.225 784 HD2 PRO 104 1HD PRO 104 -28.096 -8.060 -16.901 785 HD3 PRO 104 2HD PRO 104 -28.195 -8.721 -15.256 786 H SER 105 H SER 105 -29.888 -8.860 -18.697 787 HA SER 105 HA SER 105 -32.060 -9.133 -20.311 788 HB2 SER 105 1HB SER 105 -30.601 -8.512 -22.210 789 HB3 SER 105 2HB SER 105 -30.265 -7.540 -20.778 790 HG SER 105 HG SER 105 -28.375 -8.535 -20.518 791 H SER 106 H SER 106 -29.074 -11.055 -20.666 792 HA SER 106 HA SER 106 -30.526 -12.968 -22.327 793 HB2 SER 106 1HB SER 106 -28.448 -13.741 -23.080 794 HB3 SER 106 2HB SER 106 -28.161 -12.018 -22.838 795 HG SER 106 HG SER 106 -26.709 -12.529 -21.425 796 H GLY 107 H GLY 107 -30.728 -15.151 -21.832 797 HA2 GLY 107 1HA GLY 107 -30.129 -17.037 -20.399 798 HA3 GLY 107 2HA GLY 107 -30.025 -15.900 -19.063 Start of MODEL 14 1 H1 GLY 1 H GLY 1 9.867 30.602 0.065 2 HA2 GLY 1 1HA GLY 1 9.753 29.930 2.532 3 HA3 GLY 1 2HA GLY 1 8.393 28.946 2.009 4 H SER 2 H SER 2 11.723 29.046 2.488 5 HA SER 2 HA SER 2 12.533 27.117 0.554 6 HB2 SER 2 1HB SER 2 14.056 28.758 1.727 7 HB3 SER 2 2HB SER 2 13.916 27.751 3.167 8 HG SER 2 HG SER 2 15.736 27.124 2.032 9 H SER 3 H SER 3 11.413 25.237 0.601 10 HA SER 3 HA SER 3 11.065 23.851 3.154 11 HB2 SER 3 1HB SER 3 9.985 23.079 0.434 12 HB3 SER 3 2HB SER 3 9.496 22.421 1.995 13 HG SER 3 HG SER 3 8.149 24.011 2.157 14 H GLY 4 H GLY 4 11.967 21.883 3.616 15 HA2 GLY 4 1HA GLY 4 13.434 20.403 1.613 16 HA3 GLY 4 2HA GLY 4 14.454 21.199 2.803 17 H SER 5 H SER 5 14.254 18.382 2.366 18 HA SER 5 HA SER 5 14.003 17.498 5.034 19 HB2 SER 5 1HB SER 5 11.557 17.748 4.306 20 HB3 SER 5 2HB SER 5 11.851 16.368 3.248 21 HG SER 5 HG SER 5 12.514 16.235 5.980 22 H SER 6 H SER 6 15.039 15.584 5.319 23 HA SER 6 HA SER 6 16.007 14.251 2.879 24 HB2 SER 6 1HB SER 6 17.713 15.304 4.403 25 HB3 SER 6 2HB SER 6 17.242 14.136 5.639 26 HG SER 6 HG SER 6 18.572 12.823 4.703 27 H GLY 7 H GLY 7 14.556 12.654 2.499 28 HA2 GLY 7 1HA GLY 7 14.221 10.661 4.651 29 HA3 GLY 7 2HA GLY 7 12.859 11.167 3.661 30 HA PRO 8 HA PRO 8 15.067 7.429 1.814 31 HB2 PRO 8 1HB PRO 8 13.005 5.681 2.068 32 HB3 PRO 8 2HB PRO 8 14.231 5.911 3.321 33 HG2 PRO 8 1HG PRO 8 11.470 7.054 3.140 34 HG3 PRO 8 2HG PRO 8 12.308 6.370 4.545 35 HD2 PRO 8 1HD PRO 8 12.094 9.038 4.132 36 HD3 PRO 8 2HD PRO 8 13.498 8.305 4.935 37 H GLY 9 H GLY 9 14.255 6.133 -0.086 38 HA2 GLY 9 1HA GLY 9 12.884 7.922 -1.897 39 HA3 GLY 9 2HA GLY 9 13.620 6.380 -2.308 40 H ARG 10 H ARG 10 11.844 5.728 -3.539 41 HA ARG 10 HA ARG 10 9.390 5.185 -2.001 42 HB2 ARG 10 1HB ARG 10 8.159 5.259 -4.079 43 HB3 ARG 10 2HB ARG 10 9.105 6.732 -3.920 44 HG2 ARG 10 1HG ARG 10 9.557 6.246 -6.086 45 HG3 ARG 10 2HG ARG 10 10.852 5.323 -5.323 46 HD2 ARG 10 1HD ARG 10 8.974 3.449 -5.283 47 HD3 ARG 10 2HD ARG 10 8.366 4.384 -6.649 48 HE ARG 10 HE ARG 10 11.039 4.005 -7.153 49 HH11 ARG 10 2HH1 ARG 10 8.272 1.967 -6.600 50 HH12 ARG 10 1HH1 ARG 10 8.868 0.670 -7.583 51 HH21 ARG 10 2HH2 ARG 10 11.835 2.305 -8.448 52 HH22 ARG 10 1HH2 ARG 10 10.895 0.863 -8.633 53 HA PRO 11 HA PRO 11 10.544 0.915 -2.420 54 HB2 PRO 11 1HB PRO 11 8.282 -0.113 -1.328 55 HB3 PRO 11 2HB PRO 11 9.569 0.617 -0.361 56 HG2 PRO 11 1HG PRO 11 6.976 1.806 -1.271 57 HG3 PRO 11 2HG PRO 11 7.766 1.922 0.312 58 HD2 PRO 11 1HD PRO 11 7.889 3.906 -1.526 59 HD3 PRO 11 2HD PRO 11 9.211 3.574 -0.389 60 H THR 12 H THR 12 9.904 -0.922 -3.621 61 HA THR 12 HA THR 12 8.165 -0.281 -5.875 62 HB THR 12 HB THR 12 9.978 -2.667 -5.465 63 HG1 THR 12 1HG THR 12 10.375 -0.099 -6.470 64 HG21 THR 12 1HG2 THR 12 9.143 -3.528 -7.347 65 HG22 THR 12 2HG2 THR 12 9.346 -1.997 -8.198 66 HG23 THR 12 3HG2 THR 12 7.875 -2.305 -7.276 67 H MET 13 H MET 13 6.071 -0.624 -5.364 68 HA MET 13 HA MET 13 5.320 -3.041 -3.907 69 HB2 MET 13 1HB MET 13 4.372 -0.792 -3.300 70 HB3 MET 13 2HB MET 13 3.533 -0.793 -4.846 71 HG2 MET 13 1HG MET 13 2.154 -2.578 -4.226 72 HG3 MET 13 2HG MET 13 3.185 -3.013 -2.865 73 HE1 MET 13 1HE MET 13 0.562 -0.192 -4.151 74 HE2 MET 13 2HE MET 13 0.916 0.985 -2.886 75 HE3 MET 13 3HE MET 13 2.184 0.487 -4.006 76 H MET 14 H MET 14 4.361 -4.758 -4.822 77 HA MET 14 HA MET 14 3.450 -4.513 -7.611 78 HB2 MET 14 1HB MET 14 4.872 -6.917 -6.462 79 HB3 MET 14 2HB MET 14 4.385 -6.674 -8.134 80 HG2 MET 14 1HG MET 14 5.984 -4.891 -8.387 81 HG3 MET 14 2HG MET 14 6.413 -4.994 -6.681 82 HE1 MET 14 1HE MET 14 9.501 -6.102 -7.182 83 HE2 MET 14 2HE MET 14 8.230 -5.615 -6.061 84 HE3 MET 14 3HE MET 14 8.777 -7.292 -6.100 85 H ILE 15 H ILE 15 1.294 -4.637 -7.429 86 HA ILE 15 HA ILE 15 0.089 -6.499 -5.536 87 HB ILE 15 HB ILE 15 -1.262 -4.531 -7.386 88 HG12 ILE 15 1HG1 ILE 15 -1.070 -4.129 -4.435 89 HG13 ILE 15 2HG1 ILE 15 0.347 -3.765 -5.415 90 HG21 ILE 15 1HG2 ILE 15 -2.250 -6.628 -5.673 91 HG22 ILE 15 2HG2 ILE 15 -2.865 -5.055 -5.168 92 HG23 ILE 15 3HG2 ILE 15 -3.121 -5.611 -6.821 93 HD11 ILE 15 1HD1 ILE 15 -0.633 -1.731 -5.453 94 HD12 ILE 15 2HD1 ILE 15 -1.476 -2.443 -6.829 95 HD13 ILE 15 3HD1 ILE 15 -2.258 -2.385 -5.250 96 H SER 16 H SER 16 -0.856 -8.371 -6.078 97 HA SER 16 HA SER 16 -1.494 -8.902 -8.885 98 HB2 SER 16 1HB SER 16 0.532 -10.333 -7.232 99 HB3 SER 16 2HB SER 16 -0.476 -11.300 -8.308 100 HG SER 16 HG SER 16 1.043 -10.723 -9.678 101 H THR 17 H THR 17 -3.434 -9.799 -9.081 102 HA THR 17 HA THR 17 -4.880 -10.621 -6.719 103 HB THR 17 HB THR 17 -6.779 -10.975 -8.326 104 HG1 THR 17 1HG THR 17 -5.044 -11.166 -10.128 105 HG21 THR 17 1HG2 THR 17 -5.482 -8.260 -8.561 106 HG22 THR 17 2HG2 THR 17 -6.352 -8.821 -7.133 107 HG23 THR 17 3HG2 THR 17 -7.201 -8.635 -8.667 108 H THR 18 H THR 18 -5.144 -12.639 -6.024 109 HA THR 18 HA THR 18 -4.402 -14.843 -7.836 110 HB THR 18 HB THR 18 -3.713 -16.137 -5.932 111 HG1 THR 18 1HG THR 18 -4.361 -13.947 -4.241 112 HG21 THR 18 1HG2 THR 18 -1.761 -15.007 -5.369 113 HG22 THR 18 2HG2 THR 18 -2.564 -13.437 -5.326 114 HG23 THR 18 3HG2 THR 18 -2.236 -14.218 -6.872 115 H ALA 19 H ALA 19 -6.254 -14.539 -4.803 116 HA ALA 19 HA ALA 19 -8.176 -16.484 -5.779 117 HB1 ALA 19 1HB ALA 19 -7.172 -16.210 -3.358 118 HB2 ALA 19 2HB ALA 19 -8.526 -15.095 -3.172 119 HB3 ALA 19 3HB ALA 19 -8.824 -16.778 -3.607 120 H MET 20 H MET 20 -10.558 -15.892 -4.981 121 HA MET 20 HA MET 20 -11.389 -13.742 -6.667 122 HB2 MET 20 1HB MET 20 -12.971 -15.438 -4.728 123 HB3 MET 20 2HB MET 20 -13.669 -14.337 -5.908 124 HG2 MET 20 1HG MET 20 -13.841 -16.271 -7.070 125 HG3 MET 20 2HG MET 20 -12.227 -15.782 -7.581 126 HE1 MET 20 1HE MET 20 -13.630 -18.974 -4.785 127 HE2 MET 20 2HE MET 20 -12.744 -17.808 -3.801 128 HE3 MET 20 3HE MET 20 -14.106 -17.275 -4.787 129 H ASN 21 H ASN 21 -11.523 -11.668 -6.146 130 HA ASN 21 HA ASN 21 -11.732 -9.738 -4.960 131 HB2 ASN 21 1HB ASN 21 -12.976 -11.321 -2.720 132 HB3 ASN 21 2HB ASN 21 -13.284 -9.650 -3.182 133 HD21 ASN 21 1HD2 ASN 21 -14.460 -9.250 -5.122 134 HD22 ASN 21 2HD2 ASN 21 -15.565 -10.431 -5.730 135 H THR 22 H THR 22 -9.322 -11.192 -4.760 136 HA THR 22 HA THR 22 -8.381 -10.212 -2.162 137 HB THR 22 HB THR 22 -7.075 -12.169 -1.710 138 HG1 THR 22 1HG THR 22 -7.879 -12.914 -4.313 139 HG21 THR 22 1HG2 THR 22 -9.759 -13.240 -2.553 140 HG22 THR 22 2HG2 THR 22 -9.564 -12.166 -1.167 141 HG23 THR 22 3HG2 THR 22 -8.762 -13.736 -1.186 142 H ALA 23 H ALA 23 -6.580 -9.035 -2.326 143 HA ALA 23 HA ALA 23 -4.993 -9.267 -4.800 144 HB1 ALA 23 1HB ALA 23 -5.677 -6.814 -3.194 145 HB2 ALA 23 2HB ALA 23 -4.449 -6.844 -4.461 146 HB3 ALA 23 3HB ALA 23 -6.135 -7.179 -4.858 147 H LEU 24 H LEU 24 -3.031 -10.054 -4.454 148 HA LEU 24 HA LEU 24 -1.895 -10.118 -1.804 149 HB2 LEU 24 1HB LEU 24 -1.658 -12.046 -3.240 150 HB3 LEU 24 2HB LEU 24 -0.853 -11.070 -4.467 151 HG LEU 24 HG LEU 24 1.054 -10.756 -2.957 152 HD11 LEU 24 1HD1 LEU 24 0.568 -10.923 -0.776 153 HD12 LEU 24 2HD1 LEU 24 0.858 -12.646 -1.016 154 HD13 LEU 24 3HD1 LEU 24 -0.788 -12.015 -1.057 155 HD21 LEU 24 1HD2 LEU 24 1.363 -12.527 -4.440 156 HD22 LEU 24 2HD2 LEU 24 0.158 -13.535 -3.639 157 HD23 LEU 24 3HD2 LEU 24 1.715 -13.237 -2.865 158 H LEU 25 H LEU 25 -0.569 -8.656 -0.965 159 HA LEU 25 HA LEU 25 0.618 -6.650 -2.747 160 HB2 LEU 25 1HB LEU 25 0.336 -6.574 0.251 161 HB3 LEU 25 2HB LEU 25 0.840 -5.249 -0.796 162 HG LEU 25 HG LEU 25 -1.890 -6.490 -1.001 163 HD11 LEU 25 1HD1 LEU 25 -2.222 -5.740 1.093 164 HD12 LEU 25 2HD1 LEU 25 -2.337 -4.169 0.301 165 HD13 LEU 25 3HD1 LEU 25 -0.821 -4.671 1.049 166 HD21 LEU 25 1HD2 LEU 25 -0.473 -4.544 -2.474 167 HD22 LEU 25 2HD2 LEU 25 -1.726 -3.696 -1.567 168 HD23 LEU 25 3HD2 LEU 25 -2.162 -5.024 -2.644 169 H GLN 26 H GLN 26 2.751 -6.530 -3.052 170 HA GLN 26 HA GLN 26 4.573 -7.727 -1.114 171 HB2 GLN 26 1HB GLN 26 4.543 -8.486 -4.040 172 HB3 GLN 26 2HB GLN 26 5.797 -8.938 -2.893 173 HG2 GLN 26 1HG GLN 26 3.846 -9.981 -1.549 174 HG3 GLN 26 2HG GLN 26 2.975 -9.892 -3.079 175 HE21 GLN 26 1HE2 GLN 26 5.611 -11.357 -1.357 176 HE22 GLN 26 2HE2 GLN 26 5.912 -12.627 -2.488 177 H TRP 27 H TRP 27 6.044 -6.238 -0.674 178 HA TRP 27 HA TRP 27 7.042 -4.550 -2.869 179 HB2 TRP 27 1HB TRP 27 7.211 -2.668 -1.256 180 HB3 TRP 27 2HB TRP 27 5.550 -3.183 -1.535 181 HD1 TRP 27 HD TRP 27 8.277 -3.205 1.158 182 HE1 TRP 27 1HE TRP 27 7.175 -3.682 3.434 183 HE3 TRP 27 3HE TRP 27 3.542 -4.282 -0.442 184 HZ2 TRP 27 2HZ TRP 27 4.635 -4.418 4.421 185 HZ3 TRP 27 3HZ TRP 27 1.835 -4.863 1.232 186 HH2 TRP 27 HH TRP 27 2.373 -4.930 3.613 187 H HIS 28 H HIS 28 9.186 -3.600 -2.432 188 HA HIS 28 HA HIS 28 10.802 -5.324 -0.670 189 HB2 HIS 28 1HB HIS 28 12.269 -5.782 -2.325 190 HB3 HIS 28 2HB HIS 28 10.948 -5.324 -3.395 191 HD1 HIS 28 1HD HIS 28 14.389 -4.680 -2.909 192 HD2 HIS 28 2HD HIS 28 11.113 -2.316 -3.882 193 HE1 HIS 28 1HE HIS 28 15.345 -2.607 -3.964 194 HE2 HIS 28 2HE HIS 28 13.350 -1.155 -4.466 195 HA PRO 29 HA PRO 29 12.396 -1.708 1.239 196 HB2 PRO 29 1HB PRO 29 14.934 -2.483 1.816 197 HB3 PRO 29 2HB PRO 29 13.520 -3.104 2.676 198 HG2 PRO 29 1HG PRO 29 15.083 -4.354 0.450 199 HG3 PRO 29 2HG PRO 29 14.450 -5.100 1.929 200 HD2 PRO 29 1HD PRO 29 13.216 -5.343 -0.469 201 HD3 PRO 29 2HD PRO 29 12.323 -5.305 1.065 202 HA PRO 30 HA PRO 30 14.343 0.559 -2.052 203 HB2 PRO 30 1HB PRO 30 14.614 2.902 -0.708 204 HB3 PRO 30 2HB PRO 30 13.069 2.341 -1.360 205 HG2 PRO 30 1HG PRO 30 14.117 2.172 1.439 206 HG3 PRO 30 2HG PRO 30 12.492 2.607 0.877 207 HD2 PRO 30 1HD PRO 30 13.093 0.145 1.830 208 HD3 PRO 30 2HD PRO 30 11.874 0.409 0.566 209 H LYS 31 H LYS 31 16.382 1.403 -2.578 210 HA LYS 31 HA LYS 31 18.502 0.677 -0.684 211 HB2 LYS 31 1HB LYS 31 18.723 -0.443 -2.791 212 HB3 LYS 31 2HB LYS 31 18.512 1.061 -3.678 213 HG2 LYS 31 1HG LYS 31 20.641 1.852 -3.038 214 HG3 LYS 31 2HG LYS 31 20.823 0.588 -1.819 215 HD2 LYS 31 1HD LYS 31 21.214 -1.063 -3.412 216 HD3 LYS 31 2HD LYS 31 20.479 -0.119 -4.710 217 HE2 LYS 31 1HE LYS 31 22.772 -0.001 -5.143 218 HE3 LYS 31 2HE LYS 31 22.405 1.528 -4.346 219 HZ1 LYS 31 1HZ LYS 31 24.168 -0.549 -3.527 220 HZ2 LYS 31 2HZ LYS 31 23.037 -0.209 -2.316 221 HZ3 LYS 31 3HZ LYS 31 24.017 1.026 -2.928 222 H GLU 32 H GLU 32 16.974 3.359 -2.149 223 HA GLU 32 HA GLU 32 19.227 5.151 -1.781 224 HB2 GLU 32 1HB GLU 32 16.389 5.849 -2.539 225 HB3 GLU 32 2HB GLU 32 17.817 6.856 -2.733 226 HG2 GLU 32 1HG GLU 32 17.775 4.210 -4.077 227 HG3 GLU 32 2HG GLU 32 16.783 5.506 -4.743 228 H LEU 33 H LEU 33 17.540 3.714 0.409 229 HA LEU 33 HA LEU 33 16.498 5.938 1.931 230 HB2 LEU 33 1HB LEU 33 15.338 3.852 2.087 231 HB3 LEU 33 2HB LEU 33 16.816 3.007 2.542 232 HG LEU 33 HG LEU 33 15.804 5.175 4.319 233 HD11 LEU 33 1HD1 LEU 33 13.818 4.178 4.527 234 HD12 LEU 33 2HD1 LEU 33 14.691 2.906 5.380 235 HD13 LEU 33 3HD1 LEU 33 14.348 2.738 3.658 236 HD21 LEU 33 1HD2 LEU 33 17.863 4.274 4.987 237 HD22 LEU 33 2HD2 LEU 33 17.358 2.623 4.624 238 HD23 LEU 33 3HD2 LEU 33 16.669 3.473 6.009 239 HA PRO 34 HA PRO 34 20.519 6.786 3.688 240 HB2 PRO 34 1HB PRO 34 19.703 8.904 5.176 241 HB3 PRO 34 2HB PRO 34 19.998 9.009 3.437 242 HG2 PRO 34 1HG PRO 34 17.406 8.702 4.903 243 HG3 PRO 34 2HG PRO 34 17.792 9.741 3.519 244 HD2 PRO 34 1HD PRO 34 16.488 7.383 3.252 245 HD3 PRO 34 2HD PRO 34 17.581 8.015 2.005 246 H GLY 35 H GLY 35 20.863 5.035 5.039 247 HA2 GLY 35 1HA GLY 35 21.303 4.844 7.493 248 HA3 GLY 35 2HA GLY 35 19.597 5.206 7.705 249 H GLU 36 H GLU 36 18.309 3.523 8.019 250 HA GLU 36 HA GLU 36 18.777 1.021 6.630 251 HB2 GLU 36 1HB GLU 36 19.083 -0.353 8.498 252 HB3 GLU 36 2HB GLU 36 20.116 1.032 8.827 253 HG2 GLU 36 1HG GLU 36 18.023 1.932 10.094 254 HG3 GLU 36 2HG GLU 36 17.552 0.233 10.115 255 H LEU 37 H LEU 37 16.978 -0.436 6.750 256 HA LEU 37 HA LEU 37 14.468 0.918 6.822 257 HB2 LEU 37 1HB LEU 37 15.042 -0.931 5.261 258 HB3 LEU 37 2HB LEU 37 15.000 -2.042 6.629 259 HG LEU 37 HG LEU 37 12.548 -1.078 6.878 260 HD11 LEU 37 1HD1 LEU 37 12.211 -1.126 4.052 261 HD12 LEU 37 2HD1 LEU 37 13.406 0.105 4.460 262 HD13 LEU 37 3HD1 LEU 37 11.804 0.153 5.196 263 HD21 LEU 37 1HD2 LEU 37 11.758 -3.026 5.835 264 HD22 LEU 37 2HD2 LEU 37 13.377 -3.440 6.399 265 HD23 LEU 37 3HD2 LEU 37 13.105 -3.066 4.696 266 H LEU 38 H LEU 38 13.169 1.217 8.500 267 HA LEU 38 HA LEU 38 13.460 -0.558 10.835 268 HB2 LEU 38 1HB LEU 38 12.636 2.341 10.853 269 HB3 LEU 38 2HB LEU 38 12.879 1.305 12.258 270 HG LEU 38 HG LEU 38 15.148 1.855 10.385 271 HD11 LEU 38 1HD1 LEU 38 14.769 4.054 10.785 272 HD12 LEU 38 2HD1 LEU 38 15.629 3.666 12.274 273 HD13 LEU 38 3HD1 LEU 38 13.867 3.746 12.269 274 HD21 LEU 38 1HD2 LEU 38 15.592 1.758 13.263 275 HD22 LEU 38 2HD2 LEU 38 16.391 0.875 11.961 276 HD23 LEU 38 3HD2 LEU 38 14.864 0.286 12.621 277 H GLY 39 H GLY 39 11.373 0.732 8.464 278 HA2 GLY 39 1HA GLY 39 9.267 -0.954 8.847 279 HA3 GLY 39 2HA GLY 39 8.921 0.385 9.931 280 H TYR 40 H TYR 40 7.037 0.113 8.205 281 HA TYR 40 HA TYR 40 7.209 2.447 6.555 282 HB2 TYR 40 1HB TYR 40 6.387 0.849 4.542 283 HB3 TYR 40 2HB TYR 40 8.064 1.334 4.768 284 HD1 TYR 40 1HD TYR 40 6.032 -1.203 6.597 285 HD2 TYR 40 2HD TYR 40 9.348 -0.459 4.038 286 HE1 TYR 40 1HE TYR 40 6.686 -3.568 6.768 287 HE2 TYR 40 2HE TYR 40 10.011 -2.822 4.200 288 HH TYR 40 HH TYR 40 8.436 -5.024 6.416 289 H ARG 41 H ARG 41 5.176 3.122 5.755 290 HA ARG 41 HA ARG 41 2.913 1.778 7.066 291 HB2 ARG 41 1HB ARG 41 3.142 4.016 7.858 292 HB3 ARG 41 2HB ARG 41 3.341 4.643 6.227 293 HG2 ARG 41 1HG ARG 41 0.939 3.659 5.885 294 HG3 ARG 41 2HG ARG 41 0.868 3.788 7.643 295 HD2 ARG 41 1HD ARG 41 1.840 6.122 6.070 296 HD3 ARG 41 2HD ARG 41 0.111 5.778 6.093 297 HE ARG 41 HE ARG 41 0.887 5.723 8.721 298 HH11 ARG 41 2HH1 ARG 41 1.020 8.040 6.126 299 HH12 ARG 41 1HH1 ARG 41 0.911 9.415 7.175 300 HH21 ARG 41 2HH2 ARG 41 0.743 7.525 10.111 301 HH22 ARG 41 1HH2 ARG 41 0.754 9.121 9.441 302 H LEU 42 H LEU 42 1.004 1.383 5.942 303 HA LEU 42 HA LEU 42 1.222 1.573 3.009 304 HB2 LEU 42 1HB LEU 42 1.270 -0.731 4.218 305 HB3 LEU 42 2HB LEU 42 -0.466 -0.476 4.384 306 HG LEU 42 HG LEU 42 1.114 -0.762 1.834 307 HD11 LEU 42 1HD1 LEU 42 0.575 -2.846 2.976 308 HD12 LEU 42 2HD1 LEU 42 -0.348 -2.685 1.482 309 HD13 LEU 42 3HD1 LEU 42 -1.126 -2.384 3.035 310 HD21 LEU 42 1HD2 LEU 42 -1.316 -0.652 0.881 311 HD22 LEU 42 2HD2 LEU 42 -0.410 0.832 1.178 312 HD23 LEU 42 3HD2 LEU 42 -1.631 0.297 2.334 313 H GLN 43 H GLN 43 -0.374 2.574 1.941 314 HA GLN 43 HA GLN 43 -2.919 3.050 3.324 315 HB2 GLN 43 1HB GLN 43 -1.399 5.153 1.775 316 HB3 GLN 43 2HB GLN 43 -2.954 5.364 2.569 317 HG2 GLN 43 1HG GLN 43 -1.855 4.901 4.739 318 HG3 GLN 43 2HG GLN 43 -0.307 4.842 3.898 319 HE21 GLN 43 1HE2 GLN 43 -2.905 6.865 4.991 320 HE22 GLN 43 2HE2 GLN 43 -2.105 8.376 4.745 321 H TYR 44 H TYR 44 -4.530 2.298 2.134 322 HA TYR 44 HA TYR 44 -4.508 2.706 -0.755 323 HB2 TYR 44 1HB TYR 44 -5.034 0.402 -1.258 324 HB3 TYR 44 2HB TYR 44 -3.532 0.452 -0.341 325 HD1 TYR 44 1HD TYR 44 -7.204 -0.017 0.125 326 HD2 TYR 44 2HD TYR 44 -3.286 -0.916 1.519 327 HE1 TYR 44 1HE TYR 44 -8.152 -1.600 1.751 328 HE2 TYR 44 2HE TYR 44 -4.223 -2.502 3.148 329 HH TYR 44 HH TYR 44 -6.254 -3.005 4.268 330 H CYS 45 H CYS 45 -6.476 3.164 -1.567 331 HA CYS 45 HA CYS 45 -8.889 2.395 -0.161 332 HB2 CYS 45 1HB CYS 45 -9.678 4.848 -0.237 333 HB3 CYS 45 2HB CYS 45 -8.578 4.376 1.052 334 HG CYS 45 HG CYS 45 -6.371 5.294 -0.787 335 H ARG 46 H ARG 46 -10.864 3.235 -1.370 336 HA ARG 46 HA ARG 46 -10.695 2.423 -4.059 337 HB2 ARG 46 1HB ARG 46 -12.797 3.597 -2.316 338 HB3 ARG 46 2HB ARG 46 -13.047 3.699 -4.054 339 HG2 ARG 46 1HG ARG 46 -12.413 1.126 -3.909 340 HG3 ARG 46 2HG ARG 46 -13.033 1.337 -2.271 341 HD2 ARG 46 1HD ARG 46 -14.810 0.617 -3.755 342 HD3 ARG 46 2HD ARG 46 -15.113 2.261 -3.193 343 HE ARG 46 HE ARG 46 -13.737 2.191 -5.699 344 HH11 ARG 46 2HH1 ARG 46 -16.864 1.967 -4.186 345 HH12 ARG 46 1HH1 ARG 46 -17.727 2.495 -5.592 346 HH21 ARG 46 2HH2 ARG 46 -14.862 2.887 -7.557 347 HH22 ARG 46 1HH2 ARG 46 -16.587 3.017 -7.510 348 H ALA 47 H ALA 47 -11.407 3.749 -5.938 349 HA ALA 47 HA ALA 47 -9.757 6.075 -6.154 350 HB1 ALA 47 1HB ALA 47 -11.313 6.066 -8.414 351 HB2 ALA 47 2HB ALA 47 -9.769 5.234 -8.223 352 HB3 ALA 47 3HB ALA 47 -11.279 4.363 -7.957 353 H ASP 48 H ASP 48 -12.771 5.633 -4.861 354 HA ASP 48 HA ASP 48 -13.598 8.387 -5.511 355 HB2 ASP 48 1HB ASP 48 -15.093 6.339 -6.139 356 HB3 ASP 48 2HB ASP 48 -15.494 6.332 -4.423 357 H GLU 49 H GLU 49 -12.137 6.641 -3.181 358 HA GLU 49 HA GLU 49 -13.514 7.842 -0.910 359 HB2 GLU 49 1HB GLU 49 -11.472 5.703 -1.265 360 HB3 GLU 49 2HB GLU 49 -11.484 6.576 0.261 361 HG2 GLU 49 1HG GLU 49 -13.918 6.014 0.455 362 HG3 GLU 49 2HG GLU 49 -13.715 4.965 -0.946 363 H ALA 50 H ALA 50 -12.519 9.243 0.565 364 HA ALA 50 HA ALA 50 -10.206 10.698 -0.534 365 HB1 ALA 50 1HB ALA 50 -11.368 12.319 1.398 366 HB2 ALA 50 2HB ALA 50 -11.520 12.483 -0.352 367 HB3 ALA 50 3HB ALA 50 -12.732 11.582 0.559 368 H ARG 51 H ARG 51 -11.251 8.722 2.013 369 HA ARG 51 HA ARG 51 -9.000 9.584 3.706 370 HB2 ARG 51 1HB ARG 51 -11.579 8.188 4.427 371 HB3 ARG 51 2HB ARG 51 -10.230 8.368 5.541 372 HG2 ARG 51 1HG ARG 51 -10.412 10.829 5.278 373 HG3 ARG 51 2HG ARG 51 -11.855 10.573 4.295 374 HD2 ARG 51 1HD ARG 51 -12.418 11.096 6.622 375 HD3 ARG 51 2HD ARG 51 -12.960 9.482 6.163 376 HE ARG 51 HE ARG 51 -10.906 10.154 8.092 377 HH11 ARG 51 2HH1 ARG 51 -12.370 7.688 6.117 378 HH12 ARG 51 1HH1 ARG 51 -11.770 6.378 7.078 379 HH21 ARG 51 2HH2 ARG 51 -10.111 8.437 9.366 380 HH22 ARG 51 1HH2 ARG 51 -10.485 6.805 8.927 381 HA PRO 52 HA PRO 52 -7.450 5.623 2.130 382 HB2 PRO 52 1HB PRO 52 -4.856 6.169 2.718 383 HB3 PRO 52 2HB PRO 52 -5.657 6.765 1.259 384 HG2 PRO 52 1HG PRO 52 -5.134 8.180 3.845 385 HG3 PRO 52 2HG PRO 52 -4.952 8.778 2.186 386 HD2 PRO 52 1HD PRO 52 -7.096 9.382 3.725 387 HD3 PRO 52 2HD PRO 52 -7.204 9.212 1.961 388 H ASN 53 H ASN 53 -7.137 3.770 3.232 389 HA ASN 53 HA ASN 53 -7.287 3.799 6.090 390 HB2 ASN 53 1HB ASN 53 -6.987 1.572 4.073 391 HB3 ASN 53 2HB ASN 53 -7.067 1.284 5.808 392 HD21 ASN 53 1HD2 ASN 53 -8.816 1.874 2.961 393 HD22 ASN 53 2HD2 ASN 53 -10.394 1.947 3.662 394 H THR 54 H THR 54 -5.504 4.549 7.101 395 HA THR 54 HA THR 54 -2.844 3.951 6.232 396 HB THR 54 HB THR 54 -3.609 5.000 8.955 397 HG1 THR 54 1HG THR 54 -4.632 6.316 7.427 398 HG21 THR 54 1HG2 THR 54 -1.433 5.493 9.213 399 HG22 THR 54 2HG2 THR 54 -1.279 6.083 7.558 400 HG23 THR 54 3HG2 THR 54 -1.163 4.356 7.893 401 H ILE 55 H ILE 55 -1.608 2.260 6.728 402 HA ILE 55 HA ILE 55 -2.309 0.635 9.078 403 HB ILE 55 HB ILE 55 -1.510 -0.470 6.382 404 HG12 ILE 55 1HG1 ILE 55 -4.128 -0.968 7.767 405 HG13 ILE 55 2HG1 ILE 55 -3.909 0.471 6.777 406 HG21 ILE 55 1HG2 ILE 55 -1.709 -1.632 9.087 407 HG22 ILE 55 2HG2 ILE 55 -2.395 -2.589 7.775 408 HG23 ILE 55 3HG2 ILE 55 -0.701 -2.102 7.718 409 HD11 ILE 55 1HD1 ILE 55 -3.374 -0.930 4.857 410 HD12 ILE 55 2HD1 ILE 55 -3.587 -2.373 5.849 411 HD13 ILE 55 3HD1 ILE 55 -4.961 -1.317 5.520 412 H ASP 56 H ASP 56 -0.611 -0.240 10.209 413 HA ASP 56 HA ASP 56 2.028 0.826 9.530 414 HB2 ASP 56 1HB ASP 56 0.996 1.170 11.820 415 HB3 ASP 56 2HB ASP 56 1.215 -0.557 12.089 416 H PHE 57 H PHE 57 3.792 -0.431 9.144 417 HA PHE 57 HA PHE 57 3.516 -3.338 9.359 418 HB2 PHE 57 1HB PHE 57 4.105 -1.783 6.857 419 HB3 PHE 57 2HB PHE 57 4.717 -3.422 7.057 420 HD1 PHE 57 1HD PHE 57 2.930 -5.203 7.749 421 HD2 PHE 57 2HD PHE 57 2.031 -1.468 5.916 422 HE1 PHE 57 1HE PHE 57 0.772 -6.103 6.983 423 HE2 PHE 57 2HE PHE 57 -0.129 -2.362 5.148 424 HZ PHE 57 HZ PHE 57 -0.761 -4.682 5.682 425 H GLY 58 H GLY 58 5.380 -4.409 9.864 426 HA2 GLY 58 1HA GLY 58 7.628 -2.733 10.658 427 HA3 GLY 58 2HA GLY 58 7.391 -4.425 11.070 428 H LYS 59 H LYS 59 9.794 -3.149 10.081 429 HA LYS 59 HA LYS 59 10.447 -3.327 7.478 430 HB2 LYS 59 1HB LYS 59 12.688 -4.247 8.220 431 HB3 LYS 59 2HB LYS 59 12.158 -2.776 9.025 432 HG2 LYS 59 1HG LYS 59 11.482 -5.365 10.304 433 HG3 LYS 59 2HG LYS 59 13.164 -4.829 10.354 434 HD2 LYS 59 1HD LYS 59 12.011 -2.551 11.089 435 HD3 LYS 59 2HD LYS 59 10.750 -3.660 11.633 436 HE2 LYS 59 1HE LYS 59 12.562 -4.941 12.830 437 HE3 LYS 59 2HE LYS 59 13.646 -3.602 12.458 438 HZ1 LYS 59 1HZ LYS 59 12.830 -3.173 14.592 439 HZ2 LYS 59 2HZ LYS 59 11.242 -3.581 14.181 440 HZ3 LYS 59 3HZ LYS 59 11.928 -2.153 13.588 441 H ASP 60 H ASP 60 9.694 -6.021 9.575 442 HA ASP 60 HA ASP 60 10.596 -8.068 7.815 443 HB2 ASP 60 1HB ASP 60 10.286 -8.446 10.228 444 HB3 ASP 60 2HB ASP 60 8.551 -8.205 10.041 445 H ASP 61 H ASP 61 7.460 -6.537 8.400 446 HA ASP 61 HA ASP 61 5.957 -8.191 6.677 447 HB2 ASP 61 1HB ASP 61 5.553 -5.546 7.983 448 HB3 ASP 61 2HB ASP 61 4.501 -5.953 6.629 449 H GLN 62 H GLN 62 6.994 -8.452 4.714 450 HA GLN 62 HA GLN 62 7.455 -6.053 3.094 451 HB2 GLN 62 1HB GLN 62 8.413 -8.897 2.878 452 HB3 GLN 62 2HB GLN 62 8.551 -7.777 1.530 453 HG2 GLN 62 1HG GLN 62 9.904 -6.282 2.893 454 HG3 GLN 62 2HG GLN 62 9.748 -7.381 4.263 455 HE21 GLN 62 1HE2 GLN 62 11.204 -6.860 1.152 456 HE22 GLN 62 2HE2 GLN 62 12.379 -8.122 1.263 457 H HIS 63 H HIS 63 4.998 -8.103 3.683 458 HA HIS 63 HA HIS 63 3.671 -7.446 1.213 459 HB2 HIS 63 1HB HIS 63 3.024 -10.007 1.027 460 HB3 HIS 63 2HB HIS 63 4.472 -9.374 0.250 461 HD1 HIS 63 1HD HIS 63 6.600 -10.525 0.811 462 HD2 HIS 63 2HD HIS 63 3.631 -11.273 3.620 463 HE1 HIS 63 1HE HIS 63 7.576 -12.226 2.384 464 HE2 HIS 63 2HE HIS 63 5.732 -12.727 4.024 465 H PHE 64 H PHE 64 1.376 -8.254 1.228 466 HA PHE 64 HA PHE 64 0.318 -8.913 3.853 467 HB2 PHE 64 1HB PHE 64 0.503 -6.388 3.702 468 HB3 PHE 64 2HB PHE 64 -0.695 -6.460 2.415 469 HD1 PHE 64 2HD PHE 64 -0.242 -7.818 5.864 470 HD2 PHE 64 1HD PHE 64 -2.857 -6.030 3.021 471 HE1 PHE 64 2HE PHE 64 -2.039 -7.784 7.544 472 HE2 PHE 64 1HE PHE 64 -4.659 -5.993 4.697 473 HZ PHE 64 HZ PHE 64 -4.251 -6.872 6.961 474 H THR 65 H THR 65 -1.890 -9.599 3.806 475 HA THR 65 HA THR 65 -2.772 -10.415 1.115 476 HB THR 65 HB THR 65 -3.473 -11.780 3.718 477 HG1 THR 65 1HG THR 65 -1.294 -12.072 1.980 478 HG21 THR 65 1HG2 THR 65 -4.774 -11.944 1.361 479 HG22 THR 65 2HG2 THR 65 -4.654 -13.282 2.503 480 HG23 THR 65 3HG2 THR 65 -3.553 -13.194 1.128 481 H VAL 66 H VAL 66 -4.377 -9.150 0.440 482 HA VAL 66 HA VAL 66 -6.356 -8.191 2.391 483 HB VAL 66 HB VAL 66 -6.076 -7.197 -0.435 484 HG11 VAL 66 1HG1 VAL 66 -8.100 -6.472 0.479 485 HG12 VAL 66 2HG1 VAL 66 -7.390 -6.199 2.071 486 HG13 VAL 66 3HG1 VAL 66 -7.005 -5.113 0.735 487 HG21 VAL 66 1HG2 VAL 66 -3.900 -6.959 0.651 488 HG22 VAL 66 2HG2 VAL 66 -4.667 -5.388 0.414 489 HG23 VAL 66 3HG2 VAL 66 -4.663 -6.135 2.011 490 H THR 67 H THR 67 -8.338 -9.015 2.395 491 HA THR 67 HA THR 67 -9.337 -10.325 -0.044 492 HB THR 67 HB THR 67 -10.352 -12.102 1.277 493 HG1 THR 67 1HG THR 67 -10.222 -10.558 3.264 494 HG21 THR 67 1HG2 THR 67 -7.414 -11.789 1.910 495 HG22 THR 67 2HG2 THR 67 -8.082 -12.458 0.421 496 HG23 THR 67 3HG2 THR 67 -8.327 -13.297 1.952 497 H GLY 68 H GLY 68 -11.500 -10.070 -0.483 498 HA2 GLY 68 1HA GLY 68 -13.758 -9.570 0.227 499 HA3 GLY 68 2HA GLY 68 -13.082 -8.521 1.464 500 H LEU 69 H LEU 69 -11.276 -8.005 -1.226 501 HA LEU 69 HA LEU 69 -12.119 -5.395 -1.644 502 HB2 LEU 69 1HB LEU 69 -10.667 -7.294 -3.473 503 HB3 LEU 69 2HB LEU 69 -10.900 -5.585 -3.836 504 HG LEU 69 HG LEU 69 -9.461 -6.558 -1.377 505 HD11 LEU 69 1HD1 LEU 69 -7.550 -5.541 -3.057 506 HD12 LEU 69 2HD1 LEU 69 -8.573 -6.470 -4.152 507 HD13 LEU 69 3HD1 LEU 69 -7.845 -7.253 -2.750 508 HD21 LEU 69 1HD2 LEU 69 -8.860 -4.370 -1.026 509 HD22 LEU 69 2HD2 LEU 69 -10.476 -4.166 -1.702 510 HD23 LEU 69 3HD2 LEU 69 -9.055 -3.929 -2.722 511 H HIS 70 H HIS 70 -13.680 -4.448 -2.809 512 HA HIS 70 HA HIS 70 -15.841 -5.947 -3.817 513 HB2 HIS 70 1HB HIS 70 -15.060 -3.060 -3.894 514 HB3 HIS 70 2HB HIS 70 -16.383 -3.614 -4.916 515 HD1 HIS 70 1HD HIS 70 -18.143 -2.303 -3.581 516 HD2 HIS 70 2HD HIS 70 -16.026 -5.065 -1.311 517 HE1 HIS 70 1HE HIS 70 -19.397 -2.490 -1.409 518 HE2 HIS 70 2HE HIS 70 -18.050 -4.102 -0.019 519 H LYS 71 H LYS 71 -15.813 -7.161 -5.582 520 HA LYS 71 HA LYS 71 -13.910 -7.068 -7.614 521 HB2 LYS 71 1HB LYS 71 -15.350 -8.573 -8.843 522 HB3 LYS 71 2HB LYS 71 -15.383 -9.005 -7.139 523 HG2 LYS 71 1HG LYS 71 -17.552 -8.281 -6.857 524 HG3 LYS 71 2HG LYS 71 -17.478 -7.190 -8.243 525 HD2 LYS 71 1HD LYS 71 -18.758 -8.875 -9.122 526 HD3 LYS 71 2HD LYS 71 -17.148 -9.444 -9.570 527 HE2 LYS 71 1HE LYS 71 -18.257 -11.316 -8.664 528 HE3 LYS 71 2HE LYS 71 -17.162 -10.755 -7.401 529 HZ1 LYS 71 1HZ LYS 71 -20.031 -10.893 -7.407 530 HZ2 LYS 71 2HZ LYS 71 -19.446 -9.390 -6.894 531 HZ3 LYS 71 3HZ LYS 71 -18.956 -10.802 -6.103 532 H GLY 72 H GLY 72 -13.910 -6.250 -9.711 533 HA2 GLY 72 1HA GLY 72 -14.393 -4.777 -11.407 534 HA3 GLY 72 2HA GLY 72 -16.062 -4.814 -10.858 535 H THR 73 H THR 73 -13.357 -3.825 -8.855 536 HA THR 73 HA THR 73 -14.251 -1.030 -9.068 537 HB THR 73 HB THR 73 -13.623 -2.499 -6.500 538 HG1 THR 73 1HG THR 73 -15.975 -1.650 -7.772 539 HG21 THR 73 1HG2 THR 73 -12.783 -0.369 -6.102 540 HG22 THR 73 2HG2 THR 73 -14.452 -0.227 -5.549 541 HG23 THR 73 3HG2 THR 73 -13.989 0.407 -7.128 542 H THR 74 H THR 74 -12.667 0.488 -9.081 543 HA THR 74 HA THR 74 -9.937 -0.470 -9.332 544 HB THR 74 HB THR 74 -11.024 2.331 -9.680 545 HG1 THR 74 1HG THR 74 -11.800 0.677 -11.189 546 HG21 THR 74 1HG2 THR 74 -8.628 1.705 -11.153 547 HG22 THR 74 2HG2 THR 74 -8.380 1.436 -9.428 548 HG23 THR 74 3HG2 THR 74 -8.926 3.010 -10.006 549 H TYR 75 H TYR 75 -8.376 -0.238 -7.853 550 HA TYR 75 HA TYR 75 -8.936 1.461 -5.511 551 HB2 TYR 75 1HB TYR 75 -7.809 -1.304 -5.704 552 HB3 TYR 75 2HB TYR 75 -7.298 -0.260 -4.383 553 HD1 TYR 75 2HD TYR 75 -10.121 -2.083 -5.857 554 HD2 TYR 75 1HD TYR 75 -8.825 0.341 -2.609 555 HE1 TYR 75 2HE TYR 75 -12.148 -2.689 -4.604 556 HE2 TYR 75 1HE TYR 75 -10.849 -0.260 -1.346 557 HH TYR 75 HH TYR 75 -12.504 -2.219 -1.345 558 H ILE 76 H ILE 76 -6.972 2.204 -4.359 559 HA ILE 76 HA ILE 76 -4.656 2.514 -6.147 560 HB ILE 76 HB ILE 76 -5.685 4.759 -4.421 561 HG12 ILE 76 1HG1 ILE 76 -6.021 4.732 -7.397 562 HG13 ILE 76 2HG1 ILE 76 -7.208 3.909 -6.391 563 HG21 ILE 76 1HG2 ILE 76 -3.880 5.880 -5.086 564 HG22 ILE 76 2HG2 ILE 76 -3.262 4.348 -5.701 565 HG23 ILE 76 3HG2 ILE 76 -4.140 5.439 -6.773 566 HD11 ILE 76 1HD1 ILE 76 -7.916 5.881 -5.401 567 HD12 ILE 76 2HD1 ILE 76 -6.450 6.750 -5.855 568 HD13 ILE 76 3HD1 ILE 76 -7.646 6.337 -7.083 569 H PHE 77 H PHE 77 -3.173 1.317 -5.105 570 HA PHE 77 HA PHE 77 -2.958 1.441 -2.205 571 HB2 PHE 77 1HB PHE 77 -1.650 -0.260 -4.319 572 HB3 PHE 77 2HB PHE 77 -1.082 -0.259 -2.653 573 HD1 PHE 77 1HD PHE 77 -3.919 -1.064 -4.855 574 HD2 PHE 77 2HD PHE 77 -2.281 -1.383 -0.939 575 HE1 PHE 77 1HE PHE 77 -5.636 -2.728 -4.277 576 HE2 PHE 77 2HE PHE 77 -3.995 -3.048 -0.355 577 HZ PHE 77 HZ PHE 77 -5.674 -3.724 -2.024 578 H ARG 78 H ARG 78 -1.225 2.258 -1.084 579 HA ARG 78 HA ARG 78 0.950 3.498 -2.599 580 HB2 ARG 78 1HB ARG 78 -1.045 4.900 -0.885 581 HB3 ARG 78 2HB ARG 78 0.625 5.447 -0.819 582 HG2 ARG 78 1HG ARG 78 0.382 5.432 -3.440 583 HG3 ARG 78 2HG ARG 78 -1.332 5.585 -3.048 584 HD2 ARG 78 1HD ARG 78 -0.914 7.583 -1.775 585 HD3 ARG 78 2HD ARG 78 0.827 7.389 -1.968 586 HE ARG 78 HE ARG 78 -0.481 7.558 -4.486 587 HH11 ARG 78 2HH1 ARG 78 0.607 9.470 -1.788 588 HH12 ARG 78 1HH1 ARG 78 0.799 10.916 -2.723 589 HH21 ARG 78 2HH2 ARG 78 -0.231 9.455 -5.727 590 HH22 ARG 78 1HH2 ARG 78 0.322 10.907 -4.963 591 H LEU 79 H LEU 79 2.889 3.253 -1.658 592 HA LEU 79 HA LEU 79 2.974 2.476 1.179 593 HB2 LEU 79 1HB LEU 79 3.257 0.551 -0.424 594 HB3 LEU 79 2HB LEU 79 4.752 1.317 -0.955 595 HG LEU 79 HG LEU 79 5.568 1.136 1.417 596 HD11 LEU 79 1HD1 LEU 79 4.089 0.609 2.984 597 HD12 LEU 79 2HD1 LEU 79 4.042 -1.019 2.311 598 HD13 LEU 79 3HD1 LEU 79 2.873 0.188 1.778 599 HD21 LEU 79 1HD2 LEU 79 5.794 -1.442 1.223 600 HD22 LEU 79 2HD2 LEU 79 6.519 -0.413 -0.013 601 HD23 LEU 79 3HD2 LEU 79 4.983 -1.221 -0.328 602 H ALA 80 H ALA 80 4.988 2.925 2.261 603 HA ALA 80 HA ALA 80 6.864 4.693 0.910 604 HB1 ALA 80 1HB ALA 80 6.531 6.578 2.188 605 HB2 ALA 80 2HB ALA 80 4.877 5.999 1.983 606 HB3 ALA 80 3HB ALA 80 5.740 5.688 3.489 607 H ALA 81 H ALA 81 8.882 4.795 1.889 608 HA ALA 81 HA ALA 81 9.418 2.655 3.781 609 HB1 ALA 81 1HB ALA 81 10.776 3.280 1.640 610 HB2 ALA 81 2HB ALA 81 11.544 4.455 2.709 611 HB3 ALA 81 3HB ALA 81 11.613 2.735 3.094 612 H LYS 82 H LYS 82 10.238 2.905 5.823 613 HA LYS 82 HA LYS 82 10.306 5.660 6.870 614 HB2 LYS 82 1HB LYS 82 8.460 3.925 7.613 615 HB3 LYS 82 2HB LYS 82 9.747 3.325 8.651 616 HG2 LYS 82 1HG LYS 82 9.799 5.237 9.925 617 HG3 LYS 82 2HG LYS 82 9.117 6.239 8.642 618 HD2 LYS 82 1HD LYS 82 6.973 5.678 9.156 619 HD3 LYS 82 2HD LYS 82 7.413 4.055 9.695 620 HE2 LYS 82 1HE LYS 82 6.906 4.986 11.712 621 HE3 LYS 82 2HE LYS 82 8.611 5.423 11.622 622 HZ1 LYS 82 1HZ LYS 82 8.044 7.603 10.909 623 HZ2 LYS 82 2HZ LYS 82 7.105 7.268 12.275 624 HZ3 LYS 82 3HZ LYS 82 6.410 7.203 10.735 625 H ASN 83 H ASN 83 12.313 6.264 7.321 626 HA ASN 83 HA ASN 83 14.211 4.235 8.297 627 HB2 ASN 83 1HB ASN 83 15.997 5.704 7.449 628 HB3 ASN 83 2HB ASN 83 14.883 5.236 6.167 629 HD21 ASN 83 1HD2 ASN 83 16.193 7.225 5.377 630 HD22 ASN 83 2HD2 ASN 83 15.393 8.743 5.574 631 H ARG 84 H ARG 84 16.130 5.587 9.470 632 HA ARG 84 HA ARG 84 15.178 6.248 11.984 633 HB2 ARG 84 1HB ARG 84 17.562 5.679 11.299 634 HB3 ARG 84 2HB ARG 84 17.725 7.363 10.818 635 HG2 ARG 84 1HG ARG 84 18.605 7.364 12.947 636 HG3 ARG 84 2HG ARG 84 16.939 7.875 13.230 637 HD2 ARG 84 1HD ARG 84 16.334 5.845 14.152 638 HD3 ARG 84 2HD ARG 84 17.637 4.974 13.344 639 HE ARG 84 HE ARG 84 17.742 6.196 15.906 640 HH11 ARG 84 2HH1 ARG 84 19.652 5.522 13.075 641 HH12 ARG 84 1HH1 ARG 84 21.158 5.517 13.932 642 HH21 ARG 84 2HH2 ARG 84 19.718 6.191 17.046 643 HH22 ARG 84 1HH2 ARG 84 21.194 5.896 16.191 644 H ALA 85 H ALA 85 15.456 8.213 9.140 645 HA ALA 85 HA ALA 85 15.100 10.702 10.586 646 HB1 ALA 85 1HB ALA 85 14.927 10.409 7.608 647 HB2 ALA 85 2HB ALA 85 15.450 11.799 8.560 648 HB3 ALA 85 3HB ALA 85 16.480 10.373 8.443 649 H GLY 86 H GLY 86 13.154 8.304 9.063 650 HA2 GLY 86 1HA GLY 86 10.767 8.480 9.848 651 HA3 GLY 86 2HA GLY 86 10.818 10.110 9.193 652 H LEU 87 H LEU 87 9.002 9.515 7.878 653 HA LEU 87 HA LEU 87 9.326 7.467 5.875 654 HB2 LEU 87 1HB LEU 87 7.202 9.593 6.097 655 HB3 LEU 87 2HB LEU 87 7.135 8.140 5.103 656 HG LEU 87 HG LEU 87 7.360 7.948 8.086 657 HD11 LEU 87 1HD1 LEU 87 5.176 8.363 8.459 658 HD12 LEU 87 2HD1 LEU 87 4.676 7.748 6.884 659 HD13 LEU 87 3HD1 LEU 87 5.345 9.374 7.024 660 HD21 LEU 87 1HD2 LEU 87 7.624 5.839 7.265 661 HD22 LEU 87 2HD2 LEU 87 6.680 6.164 5.811 662 HD23 LEU 87 3HD2 LEU 87 5.863 5.890 7.350 663 H GLY 88 H GLY 88 9.424 7.796 3.620 664 HA2 GLY 88 1HA GLY 88 10.415 10.470 2.842 665 HA3 GLY 88 2HA GLY 88 11.103 8.978 2.219 666 H GLU 89 H GLU 89 10.637 8.942 0.113 667 HA GLU 89 HA GLU 89 8.335 10.111 -1.039 668 HB2 GLU 89 1HB GLU 89 10.510 8.309 -2.012 669 HB3 GLU 89 2HB GLU 89 9.074 8.511 -3.007 670 HG2 GLU 89 1HG GLU 89 10.785 10.049 -3.710 671 HG3 GLU 89 2HG GLU 89 9.433 10.937 -3.010 672 H GLU 90 H GLU 90 6.606 9.028 -2.174 673 HA GLU 90 HA GLU 90 5.931 6.402 -1.021 674 HB2 GLU 90 1HB GLU 90 4.009 8.653 -1.636 675 HB3 GLU 90 2HB GLU 90 3.583 7.081 -0.976 676 HG2 GLU 90 1HG GLU 90 5.256 7.746 0.914 677 HG3 GLU 90 2HG GLU 90 4.942 9.382 0.336 678 H PHE 91 H PHE 91 5.065 4.885 -2.368 679 HA PHE 91 HA PHE 91 5.186 5.503 -5.224 680 HB2 PHE 91 1HB PHE 91 6.489 3.582 -4.495 681 HB3 PHE 91 2HB PHE 91 5.061 2.857 -3.764 682 HD1 PHE 91 1HD PHE 91 6.418 4.002 -7.029 683 HD2 PHE 91 2HD PHE 91 3.748 1.391 -4.987 684 HE1 PHE 91 1HE PHE 91 5.926 2.852 -9.148 685 HE2 PHE 91 2HE PHE 91 3.253 0.236 -7.102 686 HZ PHE 91 HZ PHE 91 4.343 0.966 -9.186 687 H GLU 92 H GLU 92 3.506 4.990 -6.656 688 HA GLU 92 HA GLU 92 0.880 4.592 -5.378 689 HB2 GLU 92 1HB GLU 92 1.158 6.882 -6.239 690 HB3 GLU 92 2HB GLU 92 1.511 6.236 -7.835 691 HG2 GLU 92 1HG GLU 92 -0.760 5.194 -7.824 692 HG3 GLU 92 2HG GLU 92 -1.088 6.078 -6.334 693 H LYS 93 H LYS 93 -0.595 3.251 -6.388 694 HA LYS 93 HA LYS 93 0.123 1.972 -8.900 695 HB2 LYS 93 1HB LYS 93 1.247 0.528 -7.338 696 HB3 LYS 93 2HB LYS 93 -0.173 0.458 -6.303 697 HG2 LYS 93 1HG LYS 93 0.160 -1.589 -7.628 698 HG3 LYS 93 2HG LYS 93 -1.382 -0.798 -7.962 699 HD2 LYS 93 1HD LYS 93 -0.576 0.083 -10.020 700 HD3 LYS 93 2HD LYS 93 1.084 -0.384 -9.643 701 HE2 LYS 93 1HE LYS 93 0.348 -2.763 -9.671 702 HE3 LYS 93 2HE LYS 93 -1.239 -2.221 -10.214 703 HZ1 LYS 93 1HZ LYS 93 -0.241 -1.308 -12.192 704 HZ2 LYS 93 2HZ LYS 93 0.185 -2.939 -12.052 705 HZ3 LYS 93 3HZ LYS 93 1.308 -1.736 -11.662 706 H GLU 94 H GLU 94 -1.634 1.668 -10.110 707 HA GLU 94 HA GLU 94 -4.259 1.778 -8.781 708 HB2 GLU 94 1HB GLU 94 -3.623 3.615 -10.419 709 HB3 GLU 94 2HB GLU 94 -3.706 2.393 -11.681 710 HG2 GLU 94 1HG GLU 94 -6.042 2.002 -11.195 711 HG3 GLU 94 2HG GLU 94 -5.978 3.149 -9.858 712 H ILE 95 H ILE 95 -5.422 -0.019 -8.779 713 HA ILE 95 HA ILE 95 -5.074 -1.942 -10.976 714 HB ILE 95 HB ILE 95 -5.063 -3.810 -9.520 715 HG12 ILE 95 1HG1 ILE 95 -6.706 -3.088 -7.891 716 HG13 ILE 95 2HG1 ILE 95 -5.235 -3.565 -7.049 717 HG21 ILE 95 1HG2 ILE 95 -3.146 -1.653 -9.080 718 HG22 ILE 95 2HG2 ILE 95 -3.197 -2.834 -7.772 719 HG23 ILE 95 3HG2 ILE 95 -2.874 -3.361 -9.424 720 HD11 ILE 95 1HD1 ILE 95 -6.442 -0.872 -7.387 721 HD12 ILE 95 2HD1 ILE 95 -5.752 -1.634 -5.953 722 HD13 ILE 95 3HD1 ILE 95 -4.692 -1.008 -7.216 723 H ARG 96 H ARG 96 -6.888 -3.675 -10.817 724 HA ARG 96 HA ARG 96 -9.397 -2.633 -9.788 725 HB2 ARG 96 1HB ARG 96 -9.133 -1.619 -12.049 726 HB3 ARG 96 2HB ARG 96 -9.065 -3.239 -12.730 727 HG2 ARG 96 1HG ARG 96 -11.344 -3.619 -11.685 728 HG3 ARG 96 2HG ARG 96 -11.386 -1.877 -11.405 729 HD2 ARG 96 1HD ARG 96 -11.563 -1.385 -13.631 730 HD3 ARG 96 2HD ARG 96 -10.699 -2.838 -14.131 731 HE ARG 96 HE ARG 96 -12.716 -3.869 -14.344 732 HH11 ARG 96 2HH1 ARG 96 -13.072 -1.213 -12.122 733 HH12 ARG 96 1HH1 ARG 96 -14.781 -1.428 -11.935 734 HH21 ARG 96 2HH2 ARG 96 -14.965 -4.163 -14.106 735 HH22 ARG 96 1HH2 ARG 96 -15.857 -3.107 -13.063 736 H THR 97 H THR 97 -10.312 -4.289 -8.788 737 HA THR 97 HA THR 97 -9.525 -6.957 -9.033 738 HB THR 97 HB THR 97 -11.710 -7.474 -7.849 739 HG1 THR 97 1HG THR 97 -12.570 -5.309 -6.985 740 HG21 THR 97 1HG2 THR 97 -9.849 -7.214 -6.452 741 HG22 THR 97 2HG2 THR 97 -11.031 -6.082 -5.793 742 HG23 THR 97 3HG2 THR 97 -9.712 -5.491 -6.803 743 HA PRO 98 HA PRO 98 -11.570 -8.339 -12.685 744 HB2 PRO 98 1HB PRO 98 -11.583 -11.003 -12.162 745 HB3 PRO 98 2HB PRO 98 -10.123 -10.124 -12.632 746 HG2 PRO 98 1HG PRO 98 -11.039 -10.954 -9.906 747 HG3 PRO 98 2HG PRO 98 -9.415 -11.034 -10.613 748 HD2 PRO 98 1HD PRO 98 -10.164 -9.072 -8.905 749 HD3 PRO 98 2HD PRO 98 -8.992 -8.804 -10.212 750 H GLU 99 H GLU 99 -13.636 -8.609 -13.316 751 HA GLU 99 HA GLU 99 -15.695 -8.760 -11.318 752 HB2 GLU 99 1HB GLU 99 -15.970 -8.783 -14.328 753 HB3 GLU 99 2HB GLU 99 -17.245 -8.451 -13.164 754 HG2 GLU 99 1HG GLU 99 -15.730 -6.514 -12.394 755 HG3 GLU 99 2HG GLU 99 -14.913 -6.750 -13.938 756 H ASP 100 H ASP 100 -17.408 -10.317 -11.280 757 HA ASP 100 HA ASP 100 -16.918 -12.854 -12.636 758 HB2 ASP 100 1HB ASP 100 -15.757 -13.364 -10.670 759 HB3 ASP 100 2HB ASP 100 -16.875 -12.452 -9.660 760 H LEU 101 H LEU 101 -18.749 -14.295 -12.589 761 HA LEU 101 HA LEU 101 -21.264 -12.819 -12.434 762 HB2 LEU 101 1HB LEU 101 -22.104 -14.243 -13.999 763 HB3 LEU 101 2HB LEU 101 -20.392 -14.314 -14.409 764 HG LEU 101 HG LEU 101 -20.367 -16.406 -12.873 765 HD11 LEU 101 1HD1 LEU 101 -23.143 -16.883 -13.705 766 HD12 LEU 101 2HD1 LEU 101 -22.940 -15.719 -12.396 767 HD13 LEU 101 3HD1 LEU 101 -22.298 -17.353 -12.229 768 HD21 LEU 101 1HD2 LEU 101 -20.663 -15.996 -15.608 769 HD22 LEU 101 2HD2 LEU 101 -21.862 -17.226 -15.205 770 HD23 LEU 101 3HD2 LEU 101 -20.163 -17.486 -14.806 771 H SER 102 H SER 102 -23.039 -13.511 -11.249 772 HA SER 102 HA SER 102 -22.808 -15.859 -9.557 773 HB2 SER 102 1HB SER 102 -22.753 -13.048 -8.506 774 HB3 SER 102 2HB SER 102 -23.497 -14.330 -7.551 775 HG SER 102 HG SER 102 -21.551 -14.819 -6.963 776 H GLY 103 H GLY 103 -24.767 -16.696 -8.952 777 HA2 GLY 103 1HA GLY 103 -27.197 -15.262 -8.889 778 HA3 GLY 103 2HA GLY 103 -27.033 -16.045 -10.454 779 HA PRO 104 HA PRO 104 -28.872 -18.958 -7.232 780 HB2 PRO 104 1HB PRO 104 -31.302 -19.244 -8.408 781 HB3 PRO 104 2HB PRO 104 -30.954 -17.986 -7.216 782 HG2 PRO 104 1HG PRO 104 -31.032 -17.796 -10.202 783 HG3 PRO 104 2HG PRO 104 -31.678 -16.672 -8.993 784 HD2 PRO 104 1HD PRO 104 -29.329 -16.246 -10.271 785 HD3 PRO 104 2HD PRO 104 -29.618 -15.712 -8.602 786 H SER 105 H SER 105 -29.076 -21.171 -7.518 787 HA SER 105 HA SER 105 -29.181 -22.270 -10.207 788 HB2 SER 105 1HB SER 105 -27.112 -23.398 -10.149 789 HB3 SER 105 2HB SER 105 -26.735 -21.777 -9.567 790 HG SER 105 HG SER 105 -25.797 -23.150 -8.136 791 H SER 106 H SER 106 -30.512 -23.946 -10.180 792 HA SER 106 HA SER 106 -31.777 -25.698 -9.468 793 HB2 SER 106 1HB SER 106 -29.504 -26.147 -7.519 794 HB3 SER 106 2HB SER 106 -30.722 -27.332 -7.992 795 HG SER 106 HG SER 106 -28.593 -27.372 -9.108 796 H GLY 107 H GLY 107 -32.456 -23.222 -8.407 797 HA2 GLY 107 1HA GLY 107 -33.896 -24.061 -6.050 798 HA3 GLY 107 2HA GLY 107 -32.685 -22.827 -5.734 Start of MODEL 15 1 H1 GLY 1 H GLY 1 17.114 31.347 5.613 2 HA2 GLY 1 1HA GLY 1 14.237 31.802 5.765 3 HA3 GLY 1 2HA GLY 1 15.054 30.633 4.738 4 H SER 2 H SER 2 14.533 28.624 5.244 5 HA SER 2 HA SER 2 14.451 27.855 8.073 6 HB2 SER 2 1HB SER 2 12.117 28.263 7.252 7 HB3 SER 2 2HB SER 2 12.362 26.982 6.065 8 HG SER 2 HG SER 2 12.285 26.781 8.883 9 H SER 3 H SER 3 14.438 25.432 8.319 10 HA SER 3 HA SER 3 16.189 24.252 6.267 11 HB2 SER 3 1HB SER 3 16.930 22.719 8.122 12 HB3 SER 3 2HB SER 3 17.331 24.417 8.378 13 HG SER 3 HG SER 3 16.291 24.222 10.183 14 H GLY 4 H GLY 4 16.079 21.732 6.372 15 HA2 GLY 4 1HA GLY 4 13.390 20.724 6.852 16 HA3 GLY 4 2HA GLY 4 13.910 20.750 5.174 17 H SER 5 H SER 5 13.200 18.409 6.557 18 HA SER 5 HA SER 5 15.798 17.065 6.896 19 HB2 SER 5 1HB SER 5 13.078 16.181 7.892 20 HB3 SER 5 2HB SER 5 14.612 15.370 8.203 21 HG SER 5 HG SER 5 14.460 16.602 9.941 22 H SER 6 H SER 6 16.358 15.436 5.573 23 HA SER 6 HA SER 6 14.739 14.954 3.240 24 HB2 SER 6 1HB SER 6 17.482 14.118 4.127 25 HB3 SER 6 2HB SER 6 16.712 13.307 2.763 26 HG SER 6 HG SER 6 16.725 16.102 2.809 27 H GLY 7 H GLY 7 14.724 12.533 2.465 28 HA2 GLY 7 1HA GLY 7 14.243 10.635 4.608 29 HA3 GLY 7 2HA GLY 7 12.813 11.118 3.709 30 HA PRO 8 HA PRO 8 15.024 7.509 1.635 31 HB2 PRO 8 1HB PRO 8 13.016 5.704 1.921 32 HB3 PRO 8 2HB PRO 8 14.290 5.923 3.127 33 HG2 PRO 8 1HG PRO 8 11.498 7.003 3.103 34 HG3 PRO 8 2HG PRO 8 12.413 6.296 4.448 35 HD2 PRO 8 1HD PRO 8 12.120 8.970 4.131 36 HD3 PRO 8 2HD PRO 8 13.574 8.247 4.848 37 H GLY 9 H GLY 9 14.084 6.192 -0.233 38 HA2 GLY 9 1HA GLY 9 12.530 8.020 -1.892 39 HA3 GLY 9 2HA GLY 9 13.410 6.603 -2.446 40 H ARG 10 H ARG 10 11.244 6.518 -3.653 41 HA ARG 10 HA ARG 10 9.025 5.490 -2.108 42 HB2 ARG 10 1HB ARG 10 7.865 5.352 -4.263 43 HB3 ARG 10 2HB ARG 10 8.591 6.937 -4.030 44 HG2 ARG 10 1HG ARG 10 10.522 6.144 -5.428 45 HG3 ARG 10 2HG ARG 10 9.561 4.712 -5.801 46 HD2 ARG 10 1HD ARG 10 8.012 5.907 -7.026 47 HD3 ARG 10 2HD ARG 10 8.382 7.424 -6.206 48 HE ARG 10 HE ARG 10 10.668 6.914 -7.521 49 HH11 ARG 10 2HH1 ARG 10 7.337 6.930 -8.534 50 HH12 ARG 10 1HH1 ARG 10 7.698 7.402 -10.161 51 HH21 ARG 10 2HH2 ARG 10 11.156 7.536 -9.661 52 HH22 ARG 10 1HH2 ARG 10 9.871 7.746 -10.802 53 HA PRO 11 HA PRO 11 10.486 1.298 -2.378 54 HB2 PRO 11 1HB PRO 11 8.316 0.161 -1.208 55 HB3 PRO 11 2HB PRO 11 9.567 1.011 -0.292 56 HG2 PRO 11 1HG PRO 11 6.886 1.990 -1.195 57 HG3 PRO 11 2HG PRO 11 7.692 2.217 0.368 58 HD2 PRO 11 1HD PRO 11 7.651 4.136 -1.541 59 HD3 PRO 11 2HD PRO 11 9.011 3.935 -0.419 60 H THR 12 H THR 12 9.960 -0.616 -3.508 61 HA THR 12 HA THR 12 8.184 -0.174 -5.772 62 HB THR 12 HB THR 12 10.093 -2.452 -5.213 63 HG1 THR 12 1HG THR 12 11.289 -0.642 -5.641 64 HG21 THR 12 1HG2 THR 12 9.405 -2.056 -7.979 65 HG22 THR 12 2HG2 THR 12 7.951 -2.329 -7.019 66 HG23 THR 12 3HG2 THR 12 9.261 -3.509 -6.990 67 H MET 13 H MET 13 6.099 -0.545 -5.243 68 HA MET 13 HA MET 13 5.415 -2.907 -3.666 69 HB2 MET 13 1HB MET 13 4.392 -0.711 -3.111 70 HB3 MET 13 2HB MET 13 3.619 -0.702 -4.690 71 HG2 MET 13 1HG MET 13 2.246 -2.538 -4.138 72 HG3 MET 13 2HG MET 13 3.186 -2.897 -2.691 73 HE1 MET 13 1HE MET 13 0.921 -0.165 -4.407 74 HE2 MET 13 2HE MET 13 0.672 0.954 -3.067 75 HE3 MET 13 3HE MET 13 2.281 0.755 -3.763 76 H MET 14 H MET 14 4.219 -4.606 -4.431 77 HA MET 14 HA MET 14 3.480 -4.558 -7.277 78 HB2 MET 14 1HB MET 14 4.714 -6.937 -5.886 79 HB3 MET 14 2HB MET 14 4.326 -6.788 -7.595 80 HG2 MET 14 1HG MET 14 5.986 -4.850 -7.621 81 HG3 MET 14 2HG MET 14 6.516 -5.451 -6.051 82 HE1 MET 14 1HE MET 14 9.321 -7.485 -7.112 83 HE2 MET 14 2HE MET 14 8.664 -6.126 -6.200 84 HE3 MET 14 3HE MET 14 8.139 -7.770 -5.833 85 H ILE 15 H ILE 15 1.404 -5.006 -7.561 86 HA ILE 15 HA ILE 15 0.009 -6.568 -5.489 87 HB ILE 15 HB ILE 15 -1.198 -4.559 -7.392 88 HG12 ILE 15 1HG1 ILE 15 -1.006 -4.154 -4.433 89 HG13 ILE 15 2HG1 ILE 15 0.396 -3.802 -5.436 90 HG21 ILE 15 1HG2 ILE 15 -2.899 -4.947 -5.242 91 HG22 ILE 15 2HG2 ILE 15 -3.102 -5.589 -6.871 92 HG23 ILE 15 3HG2 ILE 15 -2.318 -6.566 -5.630 93 HD11 ILE 15 1HD1 ILE 15 -0.505 -1.770 -5.601 94 HD12 ILE 15 2HD1 ILE 15 -1.582 -2.513 -6.784 95 HD13 ILE 15 3HD1 ILE 15 -2.103 -2.331 -5.109 96 H SER 16 H SER 16 -0.739 -8.494 -6.060 97 HA SER 16 HA SER 16 -1.408 -8.985 -8.880 98 HB2 SER 16 1HB SER 16 0.888 -9.938 -7.960 99 HB3 SER 16 2HB SER 16 -0.160 -11.190 -7.293 100 HG SER 16 HG SER 16 0.569 -10.703 -9.897 101 H THR 17 H THR 17 -3.278 -10.036 -9.203 102 HA THR 17 HA THR 17 -4.858 -10.738 -6.861 103 HB THR 17 HB THR 17 -6.752 -10.903 -8.394 104 HG1 THR 17 1HG THR 17 -6.278 -10.262 -10.654 105 HG21 THR 17 1HG2 THR 17 -6.305 -8.489 -9.509 106 HG22 THR 17 2HG2 THR 17 -5.036 -8.502 -8.284 107 HG23 THR 17 3HG2 THR 17 -6.722 -8.715 -7.811 108 H THR 18 H THR 18 -4.586 -12.730 -6.089 109 HA THR 18 HA THR 18 -4.188 -14.947 -7.979 110 HB THR 18 HB THR 18 -3.257 -16.224 -6.171 111 HG1 THR 18 1HG THR 18 -3.499 -14.112 -4.338 112 HG21 THR 18 1HG2 THR 18 -2.241 -13.408 -6.395 113 HG22 THR 18 2HG2 THR 18 -1.579 -14.884 -7.097 114 HG23 THR 18 3HG2 THR 18 -1.436 -14.590 -5.365 115 H ALA 19 H ALA 19 -5.936 -14.167 -4.973 116 HA ALA 19 HA ALA 19 -7.798 -16.359 -5.498 117 HB1 ALA 19 1HB ALA 19 -6.790 -15.078 -3.138 118 HB2 ALA 19 2HB ALA 19 -8.553 -15.028 -3.148 119 HB3 ALA 19 3HB ALA 19 -7.715 -16.572 -3.291 120 H MET 20 H MET 20 -10.156 -15.748 -4.745 121 HA MET 20 HA MET 20 -11.031 -13.689 -6.573 122 HB2 MET 20 1HB MET 20 -12.569 -15.583 -4.790 123 HB3 MET 20 2HB MET 20 -13.316 -14.458 -5.916 124 HG2 MET 20 1HG MET 20 -11.863 -15.622 -7.696 125 HG3 MET 20 2HG MET 20 -11.686 -16.896 -6.492 126 HE1 MET 20 1HE MET 20 -15.338 -15.793 -8.961 127 HE2 MET 20 2HE MET 20 -13.947 -14.768 -8.607 128 HE3 MET 20 3HE MET 20 -13.755 -16.194 -9.629 129 H ASN 21 H ASN 21 -11.389 -11.645 -6.035 130 HA ASN 21 HA ASN 21 -11.900 -9.774 -4.844 131 HB2 ASN 21 1HB ASN 21 -12.911 -11.522 -2.608 132 HB3 ASN 21 2HB ASN 21 -13.433 -9.899 -3.049 133 HD21 ASN 21 1HD2 ASN 21 -15.207 -9.727 -4.217 134 HD22 ASN 21 2HD2 ASN 21 -15.949 -10.996 -5.124 135 H THR 22 H THR 22 -9.357 -11.230 -4.551 136 HA THR 22 HA THR 22 -8.465 -9.919 -2.084 137 HB THR 22 HB THR 22 -7.231 -11.754 -1.296 138 HG1 THR 22 1HG THR 22 -6.263 -12.737 -2.945 139 HG21 THR 22 1HG2 THR 22 -9.411 -12.214 -0.640 140 HG22 THR 22 2HG2 THR 22 -8.931 -13.715 -1.432 141 HG23 THR 22 3HG2 THR 22 -9.943 -12.550 -2.287 142 H ALA 23 H ALA 23 -6.544 -8.888 -2.252 143 HA ALA 23 HA ALA 23 -5.043 -9.242 -4.765 144 HB1 ALA 23 1HB ALA 23 -4.401 -6.835 -4.514 145 HB2 ALA 23 2HB ALA 23 -6.110 -7.114 -4.848 146 HB3 ALA 23 3HB ALA 23 -5.584 -6.720 -3.211 147 H LEU 24 H LEU 24 -3.068 -10.024 -4.484 148 HA LEU 24 HA LEU 24 -1.880 -10.171 -1.870 149 HB2 LEU 24 1HB LEU 24 -1.666 -12.016 -3.436 150 HB3 LEU 24 2HB LEU 24 -0.829 -10.969 -4.581 151 HG LEU 24 HG LEU 24 1.078 -10.811 -3.106 152 HD11 LEU 24 1HD1 LEU 24 0.412 -10.845 -0.927 153 HD12 LEU 24 2HD1 LEU 24 0.946 -12.517 -1.093 154 HD13 LEU 24 3HD1 LEU 24 -0.771 -12.127 -1.189 155 HD21 LEU 24 1HD2 LEU 24 0.663 -12.830 -4.647 156 HD22 LEU 24 2HD2 LEU 24 0.366 -13.723 -3.155 157 HD23 LEU 24 3HD2 LEU 24 1.930 -12.953 -3.426 158 H LEU 25 H LEU 25 -0.636 -8.675 -0.977 159 HA LEU 25 HA LEU 25 0.557 -6.614 -2.687 160 HB2 LEU 25 1HB LEU 25 0.330 -6.598 0.313 161 HB3 LEU 25 2HB LEU 25 0.689 -5.237 -0.748 162 HG LEU 25 HG LEU 25 -1.951 -6.664 -0.865 163 HD11 LEU 25 1HD1 LEU 25 -0.928 -4.904 1.236 164 HD12 LEU 25 2HD1 LEU 25 -2.316 -5.991 1.237 165 HD13 LEU 25 3HD1 LEU 25 -2.458 -4.380 0.532 166 HD21 LEU 25 1HD2 LEU 25 -2.501 -4.165 -1.501 167 HD22 LEU 25 2HD2 LEU 25 -1.857 -5.294 -2.693 168 HD23 LEU 25 3HD2 LEU 25 -0.785 -4.133 -1.908 169 H GLN 26 H GLN 26 2.669 -6.596 -3.070 170 HA GLN 26 HA GLN 26 4.509 -7.745 -1.113 171 HB2 GLN 26 1HB GLN 26 4.459 -8.529 -4.032 172 HB3 GLN 26 2HB GLN 26 5.723 -8.969 -2.891 173 HG2 GLN 26 1HG GLN 26 4.146 -10.255 -1.586 174 HG3 GLN 26 2HG GLN 26 2.828 -9.754 -2.645 175 HE21 GLN 26 1HE2 GLN 26 4.566 -12.309 -1.924 176 HE22 GLN 26 2HE2 GLN 26 4.695 -13.084 -3.463 177 H TRP 27 H TRP 27 6.000 -6.268 -0.701 178 HA TRP 27 HA TRP 27 6.953 -4.573 -2.911 179 HB2 TRP 27 1HB TRP 27 7.188 -2.714 -1.270 180 HB3 TRP 27 2HB TRP 27 5.516 -3.201 -1.533 181 HD1 TRP 27 HD TRP 27 8.296 -3.375 1.113 182 HE1 TRP 27 1HE TRP 27 7.213 -3.846 3.400 183 HE3 TRP 27 3HE TRP 27 3.487 -4.192 -0.419 184 HZ2 TRP 27 2HZ TRP 27 4.658 -4.481 4.419 185 HZ3 TRP 27 3HZ TRP 27 1.784 -4.726 1.275 186 HH2 TRP 27 HH TRP 27 2.360 -4.868 3.643 187 H HIS 28 H HIS 28 9.062 -3.407 -2.179 188 HA HIS 28 HA HIS 28 10.724 -5.156 -0.521 189 HB2 HIS 28 1HB HIS 28 11.134 -4.542 -3.425 190 HB3 HIS 28 2HB HIS 28 12.535 -4.783 -2.385 191 HD1 HIS 28 1HD HIS 28 12.738 -7.175 -1.248 192 HD2 HIS 28 2HD HIS 28 9.848 -6.838 -4.213 193 HE1 HIS 28 1HE HIS 28 12.144 -9.535 -1.879 194 HE2 HIS 28 2HE HIS 28 10.457 -9.306 -3.734 195 HA PRO 29 HA PRO 29 12.507 -1.444 0.989 196 HB2 PRO 29 1HB PRO 29 15.083 -2.187 1.421 197 HB3 PRO 29 2HB PRO 29 13.740 -2.743 2.428 198 HG2 PRO 29 1HG PRO 29 15.130 -4.147 0.179 199 HG3 PRO 29 2HG PRO 29 14.613 -4.789 1.749 200 HD2 PRO 29 1HD PRO 29 13.199 -5.189 -0.525 201 HD3 PRO 29 2HD PRO 29 12.426 -5.044 1.066 202 HA PRO 30 HA PRO 30 14.206 0.610 -2.562 203 HB2 PRO 30 1HB PRO 30 14.649 3.011 -1.374 204 HB3 PRO 30 2HB PRO 30 13.040 2.457 -1.849 205 HG2 PRO 30 1HG PRO 30 14.343 2.403 0.845 206 HG3 PRO 30 2HG PRO 30 12.681 2.850 0.414 207 HD2 PRO 30 1HD PRO 30 13.319 0.425 1.435 208 HD3 PRO 30 2HD PRO 30 11.992 0.655 0.279 209 H LYS 31 H LYS 31 16.176 1.962 -3.065 210 HA LYS 31 HA LYS 31 18.470 0.975 -1.504 211 HB2 LYS 31 1HB LYS 31 18.039 1.383 -4.431 212 HB3 LYS 31 2HB LYS 31 19.664 1.577 -3.785 213 HG2 LYS 31 1HG LYS 31 19.724 -0.628 -4.336 214 HG3 LYS 31 2HG LYS 31 19.133 -0.755 -2.678 215 HD2 LYS 31 1HD LYS 31 16.948 -1.192 -3.361 216 HD3 LYS 31 2HD LYS 31 17.222 -0.537 -4.977 217 HE2 LYS 31 1HE LYS 31 18.921 -2.479 -5.205 218 HE3 LYS 31 2HE LYS 31 18.058 -3.177 -3.835 219 HZ1 LYS 31 1HZ LYS 31 16.590 -2.253 -6.221 220 HZ2 LYS 31 2HZ LYS 31 16.121 -3.389 -5.059 221 HZ3 LYS 31 3HZ LYS 31 17.310 -3.784 -6.196 222 H GLU 32 H GLU 32 16.766 3.740 -2.502 223 HA GLU 32 HA GLU 32 19.041 5.531 -2.185 224 HB2 GLU 32 1HB GLU 32 16.152 6.253 -2.689 225 HB3 GLU 32 2HB GLU 32 17.557 7.290 -2.894 226 HG2 GLU 32 1HG GLU 32 17.446 4.766 -4.450 227 HG3 GLU 32 2HG GLU 32 16.393 6.094 -4.934 228 H LEU 33 H LEU 33 17.526 3.886 -0.019 229 HA LEU 33 HA LEU 33 16.547 5.944 1.752 230 HB2 LEU 33 1HB LEU 33 15.509 3.748 1.746 231 HB3 LEU 33 2HB LEU 33 17.043 3.003 2.191 232 HG LEU 33 HG LEU 33 15.876 5.044 4.020 233 HD11 LEU 33 1HD1 LEU 33 14.850 2.767 5.050 234 HD12 LEU 33 2HD1 LEU 33 14.627 2.475 3.325 235 HD13 LEU 33 3HD1 LEU 33 13.934 3.915 4.072 236 HD21 LEU 33 1HD2 LEU 33 16.875 2.618 5.192 237 HD22 LEU 33 2HD2 LEU 33 17.456 4.273 5.376 238 HD23 LEU 33 3HD2 LEU 33 18.045 3.273 4.046 239 HA PRO 34 HA PRO 34 20.685 6.766 3.254 240 HB2 PRO 34 1HB PRO 34 19.949 8.802 4.892 241 HB3 PRO 34 2HB PRO 34 20.131 8.993 3.144 242 HG2 PRO 34 1HG PRO 34 17.641 8.588 4.757 243 HG3 PRO 34 2HG PRO 34 17.929 9.696 3.402 244 HD2 PRO 34 1HD PRO 34 16.629 7.339 3.106 245 HD3 PRO 34 2HD PRO 34 17.635 8.042 1.823 246 H GLY 35 H GLY 35 21.038 4.888 4.464 247 HA2 GLY 35 1HA GLY 35 21.680 4.562 6.861 248 HA3 GLY 35 2HA GLY 35 20.013 4.974 7.235 249 H GLU 36 H GLU 36 18.609 3.356 7.454 250 HA GLU 36 HA GLU 36 18.903 0.899 5.961 251 HB2 GLU 36 1HB GLU 36 19.194 -0.580 7.783 252 HB3 GLU 36 2HB GLU 36 20.396 0.684 8.003 253 HG2 GLU 36 1HG GLU 36 18.505 1.761 9.480 254 HG3 GLU 36 2HG GLU 36 17.953 0.091 9.583 255 H LEU 37 H LEU 37 17.052 -0.480 6.119 256 HA LEU 37 HA LEU 37 14.614 0.962 6.413 257 HB2 LEU 37 1HB LEU 37 14.893 -0.780 4.733 258 HB3 LEU 37 2HB LEU 37 15.113 -1.983 6.003 259 HG LEU 37 HG LEU 37 12.694 -1.115 6.699 260 HD11 LEU 37 1HD1 LEU 37 12.311 -1.011 3.768 261 HD12 LEU 37 2HD1 LEU 37 12.976 0.428 4.542 262 HD13 LEU 37 3HD1 LEU 37 11.417 -0.212 5.062 263 HD21 LEU 37 1HD2 LEU 37 13.293 -3.423 6.215 264 HD22 LEU 37 2HD2 LEU 37 13.259 -3.085 4.484 265 HD23 LEU 37 3HD2 LEU 37 11.772 -2.998 5.430 266 H LEU 38 H LEU 38 13.169 0.998 8.043 267 HA LEU 38 HA LEU 38 13.648 -0.767 10.349 268 HB2 LEU 38 1HB LEU 38 12.849 2.136 10.482 269 HB3 LEU 38 2HB LEU 38 13.105 1.058 11.852 270 HG LEU 38 HG LEU 38 15.291 1.799 9.919 271 HD11 LEU 38 1HD1 LEU 38 15.187 3.856 10.779 272 HD12 LEU 38 2HD1 LEU 38 15.818 3.131 12.257 273 HD13 LEU 38 3HD1 LEU 38 14.081 3.362 12.061 274 HD21 LEU 38 1HD2 LEU 38 15.384 -0.268 11.458 275 HD22 LEU 38 2HD2 LEU 38 15.583 0.901 12.763 276 HD23 LEU 38 3HD2 LEU 38 16.757 0.839 11.447 277 H GLY 39 H GLY 39 11.377 1.025 8.377 278 HA2 GLY 39 1HA GLY 39 9.294 -0.829 8.780 279 HA3 GLY 39 2HA GLY 39 9.026 0.558 9.825 280 H TYR 40 H TYR 40 7.087 0.173 8.117 281 HA TYR 40 HA TYR 40 7.194 2.485 6.427 282 HB2 TYR 40 1HB TYR 40 6.373 0.850 4.452 283 HB3 TYR 40 2HB TYR 40 8.050 1.346 4.655 284 HD1 TYR 40 1HD TYR 40 6.024 -1.183 6.508 285 HD2 TYR 40 2HD TYR 40 9.358 -0.443 3.970 286 HE1 TYR 40 1HE TYR 40 6.691 -3.542 6.707 287 HE2 TYR 40 2HE TYR 40 10.034 -2.801 4.161 288 HH TYR 40 HH TYR 40 8.456 -5.122 4.795 289 H ARG 41 H ARG 41 5.132 3.082 5.600 290 HA ARG 41 HA ARG 41 2.911 1.715 6.964 291 HB2 ARG 41 1HB ARG 41 3.114 3.949 7.773 292 HB3 ARG 41 2HB ARG 41 3.282 4.593 6.145 293 HG2 ARG 41 1HG ARG 41 0.909 3.662 5.771 294 HG3 ARG 41 2HG ARG 41 0.829 3.596 7.533 295 HD2 ARG 41 1HD ARG 41 1.690 6.096 6.124 296 HD3 ARG 41 2HD ARG 41 -0.021 5.712 6.315 297 HE ARG 41 HE ARG 41 0.878 5.467 8.823 298 HH11 ARG 41 2HH1 ARG 41 1.341 7.957 6.435 299 HH12 ARG 41 1HH1 ARG 41 1.493 9.229 7.601 300 HH21 ARG 41 2HH2 ARG 41 1.077 7.133 10.369 301 HH22 ARG 41 1HH2 ARG 41 1.344 8.759 9.838 302 H LEU 42 H LEU 42 1.013 1.267 5.855 303 HA LEU 42 HA LEU 42 1.210 1.454 2.922 304 HB2 LEU 42 1HB LEU 42 1.179 -0.827 4.224 305 HB3 LEU 42 2HB LEU 42 -0.557 -0.527 4.278 306 HG LEU 42 HG LEU 42 1.166 -0.927 1.840 307 HD11 LEU 42 1HD1 LEU 42 0.341 -2.902 3.193 308 HD12 LEU 42 2HD1 LEU 42 -0.097 -2.883 1.485 309 HD13 LEU 42 3HD1 LEU 42 -1.287 -2.432 2.705 310 HD21 LEU 42 1HD2 LEU 42 -1.542 0.271 2.144 311 HD22 LEU 42 2HD2 LEU 42 -1.231 -0.780 0.762 312 HD23 LEU 42 3HD2 LEU 42 -0.251 0.667 1.009 313 H GLN 43 H GLN 43 -0.383 2.434 1.823 314 HA GLN 43 HA GLN 43 -2.904 3.014 3.211 315 HB2 GLN 43 1HB GLN 43 -1.437 5.051 1.535 316 HB3 GLN 43 2HB GLN 43 -2.897 5.301 2.482 317 HG2 GLN 43 1HG GLN 43 -1.551 4.792 4.528 318 HG3 GLN 43 2HG GLN 43 -0.115 4.802 3.505 319 HE21 GLN 43 1HE2 GLN 43 -2.518 6.694 5.080 320 HE22 GLN 43 2HE2 GLN 43 -1.847 8.244 4.718 321 H TYR 44 H TYR 44 -4.536 2.250 2.058 322 HA TYR 44 HA TYR 44 -4.569 2.606 -0.832 323 HB2 TYR 44 1HB TYR 44 -5.068 0.285 -1.305 324 HB3 TYR 44 2HB TYR 44 -3.536 0.380 -0.444 325 HD1 TYR 44 1HD TYR 44 -7.179 -0.107 0.224 326 HD2 TYR 44 2HD TYR 44 -3.183 -1.037 1.351 327 HE1 TYR 44 1HE TYR 44 -8.028 -1.699 1.895 328 HE2 TYR 44 2HE TYR 44 -4.021 -2.633 3.024 329 HH TYR 44 HH TYR 44 -5.927 -3.882 3.586 330 H CYS 45 H CYS 45 -6.567 2.999 -1.611 331 HA CYS 45 HA CYS 45 -8.924 2.211 -0.115 332 HB2 CYS 45 1HB CYS 45 -9.802 4.593 -0.185 333 HB3 CYS 45 2HB CYS 45 -8.534 4.273 0.993 334 HG CYS 45 HG CYS 45 -6.920 5.196 -1.609 335 H ARG 46 H ARG 46 -10.953 2.961 -1.302 336 HA ARG 46 HA ARG 46 -10.821 2.052 -3.968 337 HB2 ARG 46 1HB ARG 46 -12.934 3.232 -2.227 338 HB3 ARG 46 2HB ARG 46 -13.225 3.183 -3.960 339 HG2 ARG 46 1HG ARG 46 -12.545 0.683 -3.731 340 HG3 ARG 46 2HG ARG 46 -12.925 0.933 -2.026 341 HD2 ARG 46 1HD ARG 46 -15.134 1.936 -2.896 342 HD3 ARG 46 2HD ARG 46 -14.729 1.133 -4.412 343 HE ARG 46 HE ARG 46 -15.281 -0.869 -3.455 344 HH11 ARG 46 2HH1 ARG 46 -14.850 1.507 -0.948 345 HH12 ARG 46 1HH1 ARG 46 -15.427 0.471 0.314 346 HH21 ARG 46 2HH2 ARG 46 -16.043 -2.244 -1.802 347 HH22 ARG 46 1HH2 ARG 46 -16.105 -1.663 -0.172 348 H ALA 47 H ALA 47 -11.633 3.285 -5.867 349 HA ALA 47 HA ALA 47 -10.100 5.680 -6.189 350 HB1 ALA 47 1HB ALA 47 -11.776 3.968 -7.942 351 HB2 ALA 47 2HB ALA 47 -11.465 5.626 -8.458 352 HB3 ALA 47 3HB ALA 47 -10.118 4.530 -8.155 353 H ASP 48 H ASP 48 -12.920 5.234 -4.652 354 HA ASP 48 HA ASP 48 -13.905 7.912 -5.385 355 HB2 ASP 48 1HB ASP 48 -15.332 5.830 -6.064 356 HB3 ASP 48 2HB ASP 48 -15.761 5.792 -4.357 357 H GLU 49 H GLU 49 -12.186 6.569 -3.163 358 HA GLU 49 HA GLU 49 -13.716 7.263 -0.793 359 HB2 GLU 49 1HB GLU 49 -11.143 5.877 -1.341 360 HB3 GLU 49 2HB GLU 49 -11.306 6.689 0.210 361 HG2 GLU 49 1HG GLU 49 -13.250 4.651 -0.844 362 HG3 GLU 49 2HG GLU 49 -11.913 4.285 0.245 363 H ALA 50 H ALA 50 -12.826 8.717 0.841 364 HA ALA 50 HA ALA 50 -11.429 10.990 -0.405 365 HB1 ALA 50 1HB ALA 50 -12.710 12.452 0.793 366 HB2 ALA 50 2HB ALA 50 -13.857 11.123 0.618 367 HB3 ALA 50 3HB ALA 50 -12.958 11.320 2.123 368 H ARG 51 H ARG 51 -11.193 8.561 1.965 369 HA ARG 51 HA ARG 51 -8.728 9.782 2.977 370 HB2 ARG 51 1HB ARG 51 -10.717 8.407 4.787 371 HB3 ARG 51 2HB ARG 51 -9.241 9.239 5.259 372 HG2 ARG 51 1HG ARG 51 -10.162 11.359 4.728 373 HG3 ARG 51 2HG ARG 51 -11.554 10.623 3.931 374 HD2 ARG 51 1HD ARG 51 -11.050 9.952 6.782 375 HD3 ARG 51 2HD ARG 51 -11.686 11.554 6.407 376 HE ARG 51 HE ARG 51 -13.151 9.162 6.441 377 HH11 ARG 51 2HH1 ARG 51 -12.739 12.019 4.495 378 HH12 ARG 51 1HH1 ARG 51 -14.351 11.978 3.861 379 HH21 ARG 51 2HH2 ARG 51 -15.276 9.098 5.614 380 HH22 ARG 51 1HH2 ARG 51 -15.793 10.317 4.500 381 HA PRO 52 HA PRO 52 -7.360 5.699 1.821 382 HB2 PRO 52 1HB PRO 52 -4.749 6.103 2.444 383 HB3 PRO 52 2HB PRO 52 -5.493 6.732 0.969 384 HG2 PRO 52 1HG PRO 52 -4.930 8.134 3.554 385 HG3 PRO 52 2HG PRO 52 -4.690 8.709 1.893 386 HD2 PRO 52 1HD PRO 52 -6.819 9.443 3.396 387 HD3 PRO 52 2HD PRO 52 -6.911 9.267 1.632 388 H ASN 53 H ASN 53 -6.888 3.817 2.897 389 HA ASN 53 HA ASN 53 -7.231 3.838 5.752 390 HB2 ASN 53 1HB ASN 53 -6.841 1.640 3.723 391 HB3 ASN 53 2HB ASN 53 -6.926 1.316 5.452 392 HD21 ASN 53 1HD2 ASN 53 -8.672 1.434 2.684 393 HD22 ASN 53 2HD2 ASN 53 -10.254 1.650 3.345 394 H THR 54 H THR 54 -5.497 4.641 6.821 395 HA THR 54 HA THR 54 -2.797 4.076 6.089 396 HB THR 54 HB THR 54 -3.734 5.108 8.767 397 HG1 THR 54 1HG THR 54 -4.628 6.390 7.091 398 HG21 THR 54 1HG2 THR 54 -1.384 6.371 7.868 399 HG22 THR 54 2HG2 THR 54 -1.169 4.647 7.563 400 HG23 THR 54 3HG2 THR 54 -1.549 5.214 9.189 401 H ILE 55 H ILE 55 -1.566 2.393 6.622 402 HA ILE 55 HA ILE 55 -2.313 0.764 8.951 403 HB ILE 55 HB ILE 55 -1.436 -0.398 6.307 404 HG12 ILE 55 1HG1 ILE 55 -4.181 -0.562 7.555 405 HG13 ILE 55 2HG1 ILE 55 -3.755 0.630 6.333 406 HG21 ILE 55 1HG2 ILE 55 -0.848 -1.609 8.444 407 HG22 ILE 55 2HG2 ILE 55 -2.580 -1.825 8.694 408 HG23 ILE 55 3HG2 ILE 55 -1.799 -2.525 7.276 409 HD11 ILE 55 1HD1 ILE 55 -4.684 -0.987 5.030 410 HD12 ILE 55 2HD1 ILE 55 -2.997 -1.503 5.000 411 HD13 ILE 55 3HD1 ILE 55 -4.144 -2.299 6.076 412 H ASP 56 H ASP 56 -0.629 -0.125 10.095 413 HA ASP 56 HA ASP 56 2.020 0.932 9.442 414 HB2 ASP 56 1HB ASP 56 1.307 1.442 11.674 415 HB3 ASP 56 2HB ASP 56 0.865 -0.236 11.977 416 H PHE 57 H PHE 57 3.817 -0.341 9.174 417 HA PHE 57 HA PHE 57 3.522 -3.242 9.359 418 HB2 PHE 57 1HB PHE 57 4.127 -1.706 6.848 419 HB3 PHE 57 2HB PHE 57 4.730 -3.346 7.063 420 HD1 PHE 57 1HD PHE 57 2.971 -5.142 7.684 421 HD2 PHE 57 2HD PHE 57 2.021 -1.363 5.970 422 HE1 PHE 57 1HE PHE 57 0.812 -6.037 6.914 423 HE2 PHE 57 2HE PHE 57 -0.140 -2.253 5.198 424 HZ PHE 57 HZ PHE 57 -0.747 -4.592 5.671 425 H GLY 58 H GLY 58 5.400 -4.324 9.829 426 HA2 GLY 58 1HA GLY 58 7.639 -2.640 10.642 427 HA3 GLY 58 2HA GLY 58 7.402 -4.331 11.058 428 H LYS 59 H LYS 59 9.820 -3.106 10.103 429 HA LYS 59 HA LYS 59 10.456 -3.295 7.475 430 HB2 LYS 59 1HB LYS 59 12.723 -3.953 8.152 431 HB3 LYS 59 2HB LYS 59 12.082 -2.686 9.189 432 HG2 LYS 59 1HG LYS 59 11.518 -4.394 10.876 433 HG3 LYS 59 2HG LYS 59 12.259 -5.620 9.844 434 HD2 LYS 59 1HD LYS 59 14.408 -4.642 10.074 435 HD3 LYS 59 2HD LYS 59 13.740 -3.181 10.807 436 HE2 LYS 59 1HE LYS 59 13.011 -4.517 12.743 437 HE3 LYS 59 2HE LYS 59 13.739 -5.947 12.013 438 HZ1 LYS 59 1HZ LYS 59 15.144 -3.502 12.935 439 HZ2 LYS 59 2HZ LYS 59 15.889 -4.742 12.060 440 HZ3 LYS 59 3HZ LYS 59 15.255 -5.055 13.597 441 H ASP 60 H ASP 60 9.506 -5.885 9.543 442 HA ASP 60 HA ASP 60 10.541 -7.994 7.888 443 HB2 ASP 60 1HB ASP 60 10.122 -8.201 10.361 444 HB3 ASP 60 2HB ASP 60 8.396 -8.189 10.008 445 H ASP 61 H ASP 61 7.415 -6.418 8.350 446 HA ASP 61 HA ASP 61 5.906 -8.132 6.700 447 HB2 ASP 61 1HB ASP 61 5.543 -5.348 7.739 448 HB3 ASP 61 2HB ASP 61 4.452 -5.947 6.492 449 H GLN 62 H GLN 62 6.916 -8.551 4.763 450 HA GLN 62 HA GLN 62 7.501 -6.275 3.009 451 HB2 GLN 62 1HB GLN 62 8.312 -9.177 2.911 452 HB3 GLN 62 2HB GLN 62 8.588 -8.070 1.574 453 HG2 GLN 62 1HG GLN 62 9.539 -7.145 4.196 454 HG3 GLN 62 2HG GLN 62 10.366 -8.556 3.537 455 HE21 GLN 62 1HE2 GLN 62 10.346 -8.043 0.869 456 HE22 GLN 62 2HE2 GLN 62 11.278 -6.629 0.529 457 H HIS 63 H HIS 63 4.940 -8.134 3.695 458 HA HIS 63 HA HIS 63 3.628 -7.549 1.224 459 HB2 HIS 63 1HB HIS 63 2.985 -10.120 1.045 460 HB3 HIS 63 2HB HIS 63 4.406 -9.468 0.235 461 HD1 HIS 63 1HD HIS 63 6.603 -10.503 0.816 462 HD2 HIS 63 2HD HIS 63 3.625 -11.483 3.542 463 HE1 HIS 63 1HE HIS 63 7.626 -12.222 2.339 464 HE2 HIS 63 2HE HIS 63 5.778 -12.863 3.927 465 H PHE 64 H PHE 64 1.335 -8.172 1.264 466 HA PHE 64 HA PHE 64 0.287 -8.916 3.884 467 HB2 PHE 64 1HB PHE 64 0.510 -6.378 3.714 468 HB3 PHE 64 2HB PHE 64 -0.750 -6.454 2.486 469 HD1 PHE 64 2HD PHE 64 -0.155 -7.863 5.894 470 HD2 PHE 64 1HD PHE 64 -2.857 -5.956 3.215 471 HE1 PHE 64 2HE PHE 64 -1.869 -7.822 7.658 472 HE2 PHE 64 1HE PHE 64 -4.576 -5.911 4.975 473 HZ PHE 64 HZ PHE 64 -4.083 -6.846 7.199 474 H THR 65 H THR 65 -1.889 -9.640 3.847 475 HA THR 65 HA THR 65 -2.814 -10.395 1.154 476 HB THR 65 HB THR 65 -3.388 -11.784 3.779 477 HG1 THR 65 1HG THR 65 -1.184 -11.872 2.569 478 HG21 THR 65 1HG2 THR 65 -5.216 -12.164 2.307 479 HG22 THR 65 2HG2 THR 65 -4.201 -13.604 2.223 480 HG23 THR 65 3HG2 THR 65 -4.144 -12.407 0.930 481 H VAL 66 H VAL 66 -4.371 -9.036 0.528 482 HA VAL 66 HA VAL 66 -6.348 -8.127 2.500 483 HB VAL 66 HB VAL 66 -5.815 -7.072 -0.281 484 HG11 VAL 66 1HG1 VAL 66 -8.156 -6.863 0.859 485 HG12 VAL 66 2HG1 VAL 66 -7.358 -5.615 1.817 486 HG13 VAL 66 3HG1 VAL 66 -7.430 -5.468 0.061 487 HG21 VAL 66 1HG2 VAL 66 -4.117 -6.771 1.733 488 HG22 VAL 66 2HG2 VAL 66 -4.453 -5.466 0.596 489 HG23 VAL 66 3HG2 VAL 66 -5.250 -5.491 2.168 490 H THR 67 H THR 67 -8.295 -9.019 2.521 491 HA THR 67 HA THR 67 -9.305 -10.269 0.050 492 HB THR 67 HB THR 67 -10.325 -12.042 1.311 493 HG1 THR 67 1HG THR 67 -10.171 -12.125 3.564 494 HG21 THR 67 1HG2 THR 67 -7.497 -11.701 2.313 495 HG22 THR 67 2HG2 THR 67 -7.927 -12.289 0.707 496 HG23 THR 67 3HG2 THR 67 -8.383 -13.215 2.137 497 H GLY 68 H GLY 68 -11.560 -10.195 -0.290 498 HA2 GLY 68 1HA GLY 68 -13.779 -9.570 0.331 499 HA3 GLY 68 2HA GLY 68 -13.101 -8.496 1.546 500 H LEU 69 H LEU 69 -11.308 -8.128 -1.207 501 HA LEU 69 HA LEU 69 -12.138 -5.502 -1.685 502 HB2 LEU 69 1HB LEU 69 -10.617 -7.435 -3.422 503 HB3 LEU 69 2HB LEU 69 -10.844 -5.734 -3.823 504 HG LEU 69 HG LEU 69 -9.443 -6.708 -1.337 505 HD11 LEU 69 1HD1 LEU 69 -7.390 -6.461 -2.400 506 HD12 LEU 69 2HD1 LEU 69 -8.083 -5.557 -3.745 507 HD13 LEU 69 3HD1 LEU 69 -8.377 -7.290 -3.604 508 HD21 LEU 69 1HD2 LEU 69 -8.522 -4.304 -1.557 509 HD22 LEU 69 2HD2 LEU 69 -10.144 -4.539 -0.906 510 HD23 LEU 69 3HD2 LEU 69 -9.931 -4.029 -2.581 511 H HIS 70 H HIS 70 -13.658 -4.604 -2.946 512 HA HIS 70 HA HIS 70 -15.759 -6.185 -3.989 513 HB2 HIS 70 1HB HIS 70 -15.082 -3.288 -3.949 514 HB3 HIS 70 2HB HIS 70 -16.257 -3.826 -5.146 515 HD1 HIS 70 1HD HIS 70 -18.197 -2.610 -3.977 516 HD2 HIS 70 2HD HIS 70 -16.300 -5.433 -1.590 517 HE1 HIS 70 1HE HIS 70 -19.698 -2.923 -1.983 518 HE2 HIS 70 2HE HIS 70 -18.488 -4.572 -0.513 519 H LYS 71 H LYS 71 -15.823 -7.276 -5.828 520 HA LYS 71 HA LYS 71 -13.799 -7.214 -7.769 521 HB2 LYS 71 1HB LYS 71 -16.486 -8.458 -7.536 522 HB3 LYS 71 2HB LYS 71 -15.803 -8.339 -9.152 523 HG2 LYS 71 1HG LYS 71 -13.687 -9.362 -7.929 524 HG3 LYS 71 2HG LYS 71 -14.933 -9.969 -6.836 525 HD2 LYS 71 1HD LYS 71 -16.090 -11.013 -8.703 526 HD3 LYS 71 2HD LYS 71 -14.902 -10.355 -9.830 527 HE2 LYS 71 1HE LYS 71 -14.274 -12.261 -7.579 528 HE3 LYS 71 2HE LYS 71 -14.508 -12.735 -9.261 529 HZ1 LYS 71 1HZ LYS 71 -12.198 -11.650 -8.000 530 HZ2 LYS 71 2HZ LYS 71 -12.651 -10.718 -9.337 531 HZ3 LYS 71 3HZ LYS 71 -12.349 -12.373 -9.523 532 H GLY 72 H GLY 72 -13.818 -6.478 -9.939 533 HA2 GLY 72 1HA GLY 72 -14.163 -4.916 -11.585 534 HA3 GLY 72 2HA GLY 72 -15.860 -4.982 -11.132 535 H THR 73 H THR 73 -13.285 -3.996 -8.963 536 HA THR 73 HA THR 73 -14.231 -1.214 -9.160 537 HB THR 73 HB THR 73 -13.641 -2.735 -6.614 538 HG1 THR 73 1HG THR 73 -15.794 -2.818 -7.818 539 HG21 THR 73 1HG2 THR 73 -13.752 0.150 -7.217 540 HG22 THR 73 2HG2 THR 73 -12.939 -0.705 -5.905 541 HG23 THR 73 3HG2 THR 73 -14.667 -0.370 -5.803 542 H THR 74 H THR 74 -12.686 0.330 -9.165 543 HA THR 74 HA THR 74 -9.939 -0.523 -9.408 544 HB THR 74 HB THR 74 -11.031 2.294 -9.495 545 HG1 THR 74 1HG THR 74 -11.836 0.625 -11.094 546 HG21 THR 74 1HG2 THR 74 -8.464 1.092 -10.539 547 HG22 THR 74 2HG2 THR 74 -8.618 2.187 -9.165 548 HG23 THR 74 3HG2 THR 74 -8.991 2.755 -10.793 549 H TYR 75 H TYR 75 -8.258 -0.068 -8.045 550 HA TYR 75 HA TYR 75 -8.881 1.352 -5.547 551 HB2 TYR 75 1HB TYR 75 -7.768 -1.403 -5.890 552 HB3 TYR 75 2HB TYR 75 -7.233 -0.433 -4.523 553 HD1 TYR 75 1HD TYR 75 -8.976 0.441 -2.908 554 HD2 TYR 75 2HD TYR 75 -9.847 -2.507 -5.849 555 HE1 TYR 75 1HE TYR 75 -10.990 -0.206 -1.654 556 HE2 TYR 75 2HE TYR 75 -11.864 -3.162 -4.604 557 HH TYR 75 HH TYR 75 -13.335 -2.429 -2.964 558 H ILE 76 H ILE 76 -7.077 2.309 -4.490 559 HA ILE 76 HA ILE 76 -4.684 2.585 -6.188 560 HB ILE 76 HB ILE 76 -5.787 4.807 -4.478 561 HG12 ILE 76 1HG1 ILE 76 -6.052 4.836 -7.453 562 HG13 ILE 76 2HG1 ILE 76 -7.223 3.911 -6.519 563 HG21 ILE 76 1HG2 ILE 76 -4.362 6.015 -6.384 564 HG22 ILE 76 2HG2 ILE 76 -3.648 5.441 -4.878 565 HG23 ILE 76 3HG2 ILE 76 -3.515 4.468 -6.342 566 HD11 ILE 76 1HD1 ILE 76 -8.018 5.820 -5.425 567 HD12 ILE 76 2HD1 ILE 76 -6.626 6.785 -5.918 568 HD13 ILE 76 3HD1 ILE 76 -7.829 6.299 -7.112 569 H PHE 77 H PHE 77 -3.145 1.487 -5.140 570 HA PHE 77 HA PHE 77 -3.000 1.612 -2.225 571 HB2 PHE 77 1HB PHE 77 -1.592 -0.108 -4.269 572 HB3 PHE 77 2HB PHE 77 -1.187 -0.128 -2.556 573 HD1 PHE 77 1HD PHE 77 -3.823 -0.860 -5.020 574 HD2 PHE 77 2HD PHE 77 -2.542 -1.269 -0.982 575 HE1 PHE 77 1HE PHE 77 -5.607 -2.507 -4.625 576 HE2 PHE 77 2HE PHE 77 -4.324 -2.917 -0.580 577 HZ PHE 77 HZ PHE 77 -5.859 -3.539 -2.403 578 H ARG 78 H ARG 78 -1.152 2.284 -1.109 579 HA ARG 78 HA ARG 78 0.990 3.552 -2.630 580 HB2 ARG 78 1HB ARG 78 -0.932 4.981 -0.833 581 HB3 ARG 78 2HB ARG 78 0.733 5.537 -0.936 582 HG2 ARG 78 1HG ARG 78 0.213 5.399 -3.536 583 HG3 ARG 78 2HG ARG 78 -1.434 5.641 -2.950 584 HD2 ARG 78 1HD ARG 78 0.684 7.392 -1.837 585 HD3 ARG 78 2HD ARG 78 0.206 7.665 -3.512 586 HE ARG 78 HE ARG 78 -1.854 8.413 -2.784 587 HH11 ARG 78 2HH1 ARG 78 -0.054 7.058 -0.131 588 HH12 ARG 78 1HH1 ARG 78 -1.131 7.669 1.082 589 HH21 ARG 78 2HH2 ARG 78 -3.279 9.223 -1.197 590 HH22 ARG 78 1HH2 ARG 78 -2.965 8.900 0.474 591 H LEU 79 H LEU 79 2.932 3.314 -1.686 592 HA LEU 79 HA LEU 79 2.996 2.442 1.127 593 HB2 LEU 79 1HB LEU 79 3.443 0.667 -0.656 594 HB3 LEU 79 2HB LEU 79 4.953 1.524 -0.958 595 HG LEU 79 HG LEU 79 5.708 1.061 1.294 596 HD11 LEU 79 1HD1 LEU 79 2.898 0.417 1.697 597 HD12 LEU 79 2HD1 LEU 79 4.136 0.877 2.865 598 HD13 LEU 79 3HD1 LEU 79 3.990 -0.804 2.351 599 HD21 LEU 79 1HD2 LEU 79 6.472 -0.914 0.621 600 HD22 LEU 79 2HD2 LEU 79 5.336 -0.830 -0.725 601 HD23 LEU 79 3HD2 LEU 79 4.875 -1.647 0.769 602 H ALA 80 H ALA 80 5.102 2.810 2.198 603 HA ALA 80 HA ALA 80 6.835 4.816 1.028 604 HB1 ALA 80 1HB ALA 80 4.768 5.486 2.983 605 HB2 ALA 80 2HB ALA 80 6.384 6.030 3.433 606 HB3 ALA 80 3HB ALA 80 5.682 6.528 1.893 607 H ALA 81 H ALA 81 8.872 4.736 1.838 608 HA ALA 81 HA ALA 81 9.446 2.611 3.734 609 HB1 ALA 81 1HB ALA 81 11.620 4.282 2.604 610 HB2 ALA 81 2HB ALA 81 11.543 2.538 2.857 611 HB3 ALA 81 3HB ALA 81 10.702 3.269 1.489 612 H LYS 82 H LYS 82 10.364 2.865 5.729 613 HA LYS 82 HA LYS 82 10.620 5.633 6.711 614 HB2 LYS 82 1HB LYS 82 8.686 4.107 7.572 615 HB3 LYS 82 2HB LYS 82 9.951 3.330 8.515 616 HG2 LYS 82 1HG LYS 82 10.331 5.217 9.802 617 HG3 LYS 82 2HG LYS 82 9.602 6.297 8.612 618 HD2 LYS 82 1HD LYS 82 7.916 6.227 10.155 619 HD3 LYS 82 2HD LYS 82 7.451 4.855 9.145 620 HE2 LYS 82 1HE LYS 82 7.314 4.226 11.470 621 HE3 LYS 82 2HE LYS 82 8.639 3.352 10.704 622 HZ1 LYS 82 1HZ LYS 82 8.878 4.640 13.011 623 HZ2 LYS 82 2HZ LYS 82 9.336 5.879 11.955 624 HZ3 LYS 82 3HZ LYS 82 10.171 4.408 11.945 625 H ASN 83 H ASN 83 12.624 6.164 7.247 626 HA ASN 83 HA ASN 83 14.465 4.028 8.101 627 HB2 ASN 83 1HB ASN 83 16.293 5.460 7.243 628 HB3 ASN 83 2HB ASN 83 15.151 5.008 5.981 629 HD21 ASN 83 1HD2 ASN 83 16.431 6.941 5.102 630 HD22 ASN 83 2HD2 ASN 83 15.690 8.486 5.322 631 H ARG 84 H ARG 84 16.477 5.291 9.233 632 HA ARG 84 HA ARG 84 15.707 5.881 11.795 633 HB2 ARG 84 1HB ARG 84 18.138 6.512 10.188 634 HB3 ARG 84 2HB ARG 84 17.955 7.292 11.753 635 HG2 ARG 84 1HG ARG 84 17.763 4.317 11.384 636 HG3 ARG 84 2HG ARG 84 19.280 5.152 11.723 637 HD2 ARG 84 1HD ARG 84 18.534 5.872 13.834 638 HD3 ARG 84 2HD ARG 84 16.853 5.500 13.457 639 HE ARG 84 HE ARG 84 18.260 3.114 13.319 640 HH11 ARG 84 2HH1 ARG 84 17.474 5.520 15.710 641 HH12 ARG 84 1HH1 ARG 84 17.494 4.400 17.032 642 HH21 ARG 84 2HH2 ARG 84 18.288 1.630 15.051 643 HH22 ARG 84 1HH2 ARG 84 17.958 2.188 16.656 644 H ALA 85 H ALA 85 15.565 7.922 9.019 645 HA ALA 85 HA ALA 85 15.229 10.347 10.597 646 HB1 ALA 85 1HB ALA 85 14.744 10.378 7.678 647 HB2 ALA 85 2HB ALA 85 15.624 11.518 8.697 648 HB3 ALA 85 3HB ALA 85 16.381 10.000 8.213 649 H GLY 86 H GLY 86 13.324 8.010 8.837 650 HA2 GLY 86 1HA GLY 86 10.980 7.935 9.817 651 HA3 GLY 86 2HA GLY 86 10.907 9.626 9.345 652 H LEU 87 H LEU 87 9.015 8.965 8.113 653 HA LEU 87 HA LEU 87 9.257 7.166 5.918 654 HB2 LEU 87 1HB LEU 87 7.213 9.328 6.404 655 HB3 LEU 87 2HB LEU 87 7.070 8.008 5.245 656 HG LEU 87 HG LEU 87 7.438 7.317 8.115 657 HD11 LEU 87 1HD1 LEU 87 5.580 9.184 7.595 658 HD12 LEU 87 2HD1 LEU 87 5.391 7.937 8.826 659 HD13 LEU 87 3HD1 LEU 87 4.653 7.726 7.238 660 HD21 LEU 87 1HD2 LEU 87 5.394 5.869 6.813 661 HD22 LEU 87 2HD2 LEU 87 7.003 5.312 7.273 662 HD23 LEU 87 3HD2 LEU 87 6.736 6.014 5.677 663 H GLY 88 H GLY 88 9.295 7.644 3.686 664 HA2 GLY 88 1HA GLY 88 10.303 10.348 3.046 665 HA3 GLY 88 2HA GLY 88 10.998 8.894 2.345 666 H GLU 89 H GLU 89 10.525 8.991 0.239 667 HA GLU 89 HA GLU 89 8.270 10.219 -0.882 668 HB2 GLU 89 1HB GLU 89 10.138 8.111 -1.965 669 HB3 GLU 89 2HB GLU 89 8.868 8.852 -2.930 670 HG2 GLU 89 1HG GLU 89 9.877 11.008 -2.727 671 HG3 GLU 89 2HG GLU 89 11.056 10.400 -1.567 672 H GLU 90 H GLU 90 6.493 9.221 -2.047 673 HA GLU 90 HA GLU 90 5.646 6.664 -0.851 674 HB2 GLU 90 1HB GLU 90 3.856 8.987 -1.585 675 HB3 GLU 90 2HB GLU 90 3.350 7.472 -0.850 676 HG2 GLU 90 1HG GLU 90 5.109 8.207 0.987 677 HG3 GLU 90 2HG GLU 90 4.717 9.806 0.356 678 H PHE 91 H PHE 91 4.998 5.113 -2.216 679 HA PHE 91 HA PHE 91 5.099 5.681 -5.069 680 HB2 PHE 91 1HB PHE 91 6.308 3.723 -4.071 681 HB3 PHE 91 2HB PHE 91 4.742 3.012 -3.694 682 HD1 PHE 91 1HD PHE 91 7.050 3.946 -6.388 683 HD2 PHE 91 2HD PHE 91 3.385 2.023 -5.395 684 HE1 PHE 91 1HE PHE 91 6.972 2.944 -8.634 685 HE2 PHE 91 2HE PHE 91 3.302 1.016 -7.639 686 HZ PHE 91 HZ PHE 91 5.097 1.476 -9.261 687 H GLU 92 H GLU 92 3.449 4.963 -6.530 688 HA GLU 92 HA GLU 92 0.791 4.666 -5.300 689 HB2 GLU 92 1HB GLU 92 0.991 6.960 -6.063 690 HB3 GLU 92 2HB GLU 92 1.530 6.420 -7.647 691 HG2 GLU 92 1HG GLU 92 -1.114 5.499 -6.650 692 HG3 GLU 92 2HG GLU 92 -0.950 7.157 -7.227 693 H LYS 93 H LYS 93 -0.587 3.242 -6.265 694 HA LYS 93 HA LYS 93 0.140 2.064 -8.834 695 HB2 LYS 93 1HB LYS 93 1.265 0.607 -7.278 696 HB3 LYS 93 2HB LYS 93 -0.176 0.485 -6.278 697 HG2 LYS 93 1HG LYS 93 0.223 -1.520 -7.648 698 HG3 LYS 93 2HG LYS 93 -1.326 -0.747 -7.995 699 HD2 LYS 93 1HD LYS 93 -0.463 0.230 -10.002 700 HD3 LYS 93 2HD LYS 93 1.179 -0.286 -9.609 701 HE2 LYS 93 1HE LYS 93 0.085 -2.671 -9.593 702 HE3 LYS 93 2HE LYS 93 -1.138 -1.888 -10.593 703 HZ1 LYS 93 1HZ LYS 93 0.309 -1.597 -12.302 704 HZ2 LYS 93 2HZ LYS 93 0.986 -2.996 -11.636 705 HZ3 LYS 93 3HZ LYS 93 1.671 -1.485 -11.304 706 H GLU 94 H GLU 94 -1.602 1.770 -10.068 707 HA GLU 94 HA GLU 94 -4.240 1.797 -8.758 708 HB2 GLU 94 1HB GLU 94 -3.804 3.742 -10.205 709 HB3 GLU 94 2HB GLU 94 -3.506 2.663 -11.560 710 HG2 GLU 94 1HG GLU 94 -5.865 1.807 -11.213 711 HG3 GLU 94 2HG GLU 94 -6.095 3.184 -10.137 712 H ILE 95 H ILE 95 -5.330 -0.043 -8.812 713 HA ILE 95 HA ILE 95 -4.924 -1.863 -11.091 714 HB ILE 95 HB ILE 95 -4.992 -3.785 -9.677 715 HG12 ILE 95 1HG1 ILE 95 -6.586 -2.535 -8.019 716 HG13 ILE 95 2HG1 ILE 95 -5.535 -3.815 -7.421 717 HG21 ILE 95 1HG2 ILE 95 -3.054 -1.642 -9.007 718 HG22 ILE 95 2HG2 ILE 95 -3.055 -3.091 -8.004 719 HG23 ILE 95 3HG2 ILE 95 -2.787 -3.222 -9.742 720 HD11 ILE 95 1HD1 ILE 95 -5.764 -1.384 -6.291 721 HD12 ILE 95 2HD1 ILE 95 -4.333 -2.406 -6.159 722 HD13 ILE 95 3HD1 ILE 95 -4.386 -1.114 -7.358 723 H ARG 96 H ARG 96 -6.736 -3.754 -10.676 724 HA ARG 96 HA ARG 96 -9.272 -2.738 -9.805 725 HB2 ARG 96 1HB ARG 96 -8.984 -1.630 -12.026 726 HB3 ARG 96 2HB ARG 96 -8.905 -3.224 -12.764 727 HG2 ARG 96 1HG ARG 96 -11.171 -3.700 -11.987 728 HG3 ARG 96 2HG ARG 96 -11.250 -2.100 -11.246 729 HD2 ARG 96 1HD ARG 96 -10.762 -1.172 -13.559 730 HD3 ARG 96 2HD ARG 96 -11.081 -2.796 -14.166 731 HE ARG 96 HE ARG 96 -13.261 -2.160 -12.628 732 HH11 ARG 96 2HH1 ARG 96 -11.670 -0.783 -15.401 733 HH12 ARG 96 1HH1 ARG 96 -13.120 -0.097 -16.055 734 HH21 ARG 96 2HH2 ARG 96 -15.177 -1.262 -13.479 735 HH22 ARG 96 1HH2 ARG 96 -15.114 -0.369 -14.961 736 H THR 97 H THR 97 -10.177 -4.448 -8.892 737 HA THR 97 HA THR 97 -9.338 -7.089 -9.229 738 HB THR 97 HB THR 97 -11.556 -7.683 -8.123 739 HG1 THR 97 1HG THR 97 -12.412 -5.551 -7.155 740 HG21 THR 97 1HG2 THR 97 -10.392 -7.477 -6.234 741 HG22 THR 97 2HG2 THR 97 -10.578 -5.723 -6.265 742 HG23 THR 97 3HG2 THR 97 -9.226 -6.482 -7.105 743 HA PRO 98 HA PRO 98 -11.278 -8.303 -13.003 744 HB2 PRO 98 1HB PRO 98 -11.125 -10.992 -12.665 745 HB3 PRO 98 2HB PRO 98 -9.724 -9.994 -13.072 746 HG2 PRO 98 1HG PRO 98 -10.579 -11.065 -10.410 747 HG3 PRO 98 2HG PRO 98 -8.955 -10.996 -11.120 748 HD2 PRO 98 1HD PRO 98 -9.818 -9.205 -9.281 749 HD3 PRO 98 2HD PRO 98 -8.670 -8.777 -10.566 750 H GLU 99 H GLU 99 -13.412 -7.941 -13.172 751 HA GLU 99 HA GLU 99 -15.320 -8.937 -11.291 752 HB2 GLU 99 1HB GLU 99 -16.993 -8.012 -12.919 753 HB3 GLU 99 2HB GLU 99 -15.800 -6.852 -12.350 754 HG2 GLU 99 1HG GLU 99 -14.728 -6.749 -14.384 755 HG3 GLU 99 2HG GLU 99 -15.324 -8.327 -14.897 756 H ASP 100 H ASP 100 -16.416 -10.791 -11.310 757 HA ASP 100 HA ASP 100 -15.766 -12.944 -12.919 758 HB2 ASP 100 1HB ASP 100 -16.922 -13.206 -10.786 759 HB3 ASP 100 2HB ASP 100 -18.358 -12.427 -11.446 760 H LEU 101 H LEU 101 -17.142 -14.123 -14.464 761 HA LEU 101 HA LEU 101 -19.243 -12.843 -15.863 762 HB2 LEU 101 1HB LEU 101 -17.500 -11.405 -16.695 763 HB3 LEU 101 2HB LEU 101 -16.515 -12.797 -17.141 764 HG LEU 101 HG LEU 101 -18.574 -13.345 -18.688 765 HD11 LEU 101 1HD1 LEU 101 -19.315 -10.834 -17.616 766 HD12 LEU 101 2HD1 LEU 101 -20.140 -11.789 -18.847 767 HD13 LEU 101 3HD1 LEU 101 -18.930 -10.597 -19.321 768 HD21 LEU 101 1HD2 LEU 101 -17.430 -11.530 -20.308 769 HD22 LEU 101 2HD2 LEU 101 -16.693 -13.082 -19.908 770 HD23 LEU 101 3HD2 LEU 101 -16.205 -11.624 -19.043 771 H SER 102 H SER 102 -20.438 -14.494 -16.512 772 HA SER 102 HA SER 102 -19.862 -17.137 -16.439 773 HB2 SER 102 1HB SER 102 -21.742 -17.534 -17.874 774 HB3 SER 102 2HB SER 102 -22.106 -16.086 -16.935 775 HG SER 102 HG SER 102 -22.557 -15.917 -19.223 776 H GLY 103 H GLY 103 -19.650 -15.175 -19.416 777 HA2 GLY 103 1HA GLY 103 -18.006 -15.288 -21.069 778 HA3 GLY 103 2HA GLY 103 -17.314 -16.682 -20.252 779 HA PRO 104 HA PRO 104 -20.248 -17.767 -23.922 780 HB2 PRO 104 1HB PRO 104 -18.540 -17.663 -26.030 781 HB3 PRO 104 2HB PRO 104 -19.539 -16.292 -25.535 782 HG2 PRO 104 1HG PRO 104 -16.654 -16.840 -24.955 783 HG3 PRO 104 2HG PRO 104 -17.431 -15.317 -25.426 784 HD2 PRO 104 1HD PRO 104 -16.767 -15.882 -22.862 785 HD3 PRO 104 2HD PRO 104 -18.176 -14.890 -23.287 786 H SER 105 H SER 105 -17.451 -18.742 -22.418 787 HA SER 105 HA SER 105 -17.858 -21.488 -23.172 788 HB2 SER 105 1HB SER 105 -15.526 -19.931 -24.195 789 HB3 SER 105 2HB SER 105 -15.250 -21.597 -23.684 790 HG SER 105 HG SER 105 -16.399 -22.307 -25.325 791 H SER 106 H SER 106 -15.990 -22.854 -22.100 792 HA SER 106 HA SER 106 -15.674 -21.789 -19.375 793 HB2 SER 106 1HB SER 106 -15.896 -24.616 -20.413 794 HB3 SER 106 2HB SER 106 -15.379 -24.246 -18.769 795 HG SER 106 HG SER 106 -17.885 -24.061 -19.929 796 H GLY 107 H GLY 107 -13.699 -21.444 -18.573 797 HA2 GLY 107 1HA GLY 107 -11.410 -22.351 -18.311 798 HA3 GLY 107 2HA GLY 107 -11.403 -22.572 -20.055 Start of MODEL 16 1 H1 GLY 1 H GLY 1 13.910 18.338 8.324 2 HA2 GLY 1 1HA GLY 1 13.181 20.816 8.208 3 HA3 GLY 1 2HA GLY 1 14.909 21.091 8.047 4 H SER 2 H SER 2 13.609 22.108 6.061 5 HA SER 2 HA SER 2 13.075 20.243 3.935 6 HB2 SER 2 1HB SER 2 12.745 22.290 2.561 7 HB3 SER 2 2HB SER 2 11.795 22.309 4.047 8 HG SER 2 HG SER 2 12.740 24.141 4.418 9 H SER 3 H SER 3 15.252 19.239 4.120 10 HA SER 3 HA SER 3 17.420 20.798 2.939 11 HB2 SER 3 1HB SER 3 17.333 18.047 4.189 12 HB3 SER 3 2HB SER 3 18.775 18.719 3.427 13 HG SER 3 HG SER 3 18.670 20.436 4.939 14 H GLY 4 H GLY 4 15.400 20.434 1.145 15 HA2 GLY 4 1HA GLY 4 15.002 19.719 -0.999 16 HA3 GLY 4 2HA GLY 4 16.707 19.295 -1.056 17 H SER 5 H SER 5 17.352 17.178 -0.554 18 HA SER 5 HA SER 5 15.206 15.213 -0.885 19 HB2 SER 5 1HB SER 5 17.235 15.268 -2.426 20 HB3 SER 5 2HB SER 5 18.175 14.686 -1.052 21 HG SER 5 HG SER 5 17.560 12.844 -1.966 22 H SER 6 H SER 6 14.576 15.520 1.382 23 HA SER 6 HA SER 6 16.384 14.170 3.271 24 HB2 SER 6 1HB SER 6 15.435 16.570 3.682 25 HB3 SER 6 2HB SER 6 13.955 15.718 4.123 26 HG SER 6 HG SER 6 15.138 15.945 5.976 27 H GLY 7 H GLY 7 15.938 12.066 3.403 28 HA2 GLY 7 1HA GLY 7 14.275 10.588 4.568 29 HA3 GLY 7 2HA GLY 7 13.096 11.257 3.449 30 HA PRO 8 HA PRO 8 15.237 7.355 1.774 31 HB2 PRO 8 1HB PRO 8 13.169 5.623 2.082 32 HB3 PRO 8 2HB PRO 8 14.407 5.871 3.320 33 HG2 PRO 8 1HG PRO 8 11.650 7.024 3.140 34 HG3 PRO 8 2HG PRO 8 12.497 6.365 4.552 35 HD2 PRO 8 1HD PRO 8 12.293 9.025 4.086 36 HD3 PRO 8 2HD PRO 8 13.700 8.302 4.891 37 H GLY 9 H GLY 9 14.469 6.081 -0.122 38 HA2 GLY 9 1HA GLY 9 13.022 7.823 -1.923 39 HA3 GLY 9 2HA GLY 9 13.816 6.312 -2.342 40 H ARG 10 H ARG 10 11.809 6.079 -3.644 41 HA ARG 10 HA ARG 10 9.441 5.349 -2.102 42 HB2 ARG 10 1HB ARG 10 8.406 5.085 -4.388 43 HB3 ARG 10 2HB ARG 10 8.954 6.708 -3.992 44 HG2 ARG 10 1HG ARG 10 10.818 6.542 -5.413 45 HG3 ARG 10 2HG ARG 10 10.646 4.792 -5.562 46 HD2 ARG 10 1HD ARG 10 8.551 5.096 -6.777 47 HD3 ARG 10 2HD ARG 10 8.700 6.845 -6.609 48 HE ARG 10 HE ARG 10 10.005 5.193 -8.530 49 HH11 ARG 10 2HH1 ARG 10 10.351 8.091 -6.633 50 HH12 ARG 10 1HH1 ARG 10 11.448 8.843 -7.743 51 HH21 ARG 10 2HH2 ARG 10 11.449 6.172 -10.000 52 HH22 ARG 10 1HH2 ARG 10 12.071 7.751 -9.659 53 HA PRO 11 HA PRO 11 10.617 1.068 -2.220 54 HB2 PRO 11 1HB PRO 11 8.312 0.093 -1.168 55 HB3 PRO 11 2HB PRO 11 9.553 0.887 -0.192 56 HG2 PRO 11 1HG PRO 11 6.999 2.004 -1.283 57 HG3 PRO 11 2HG PRO 11 7.718 2.219 0.324 58 HD2 PRO 11 1HD PRO 11 7.914 4.091 -1.623 59 HD3 PRO 11 2HD PRO 11 9.187 3.836 -0.412 60 H THR 12 H THR 12 10.041 -0.839 -3.340 61 HA THR 12 HA THR 12 8.398 -0.344 -5.700 62 HB THR 12 HB THR 12 10.248 -2.647 -5.052 63 HG1 THR 12 1HG THR 12 11.691 -1.595 -6.334 64 HG21 THR 12 1HG2 THR 12 8.174 -2.842 -6.732 65 HG22 THR 12 2HG2 THR 12 9.722 -3.632 -7.035 66 HG23 THR 12 3HG2 THR 12 9.345 -2.099 -7.820 67 H MET 13 H MET 13 6.285 -0.665 -5.252 68 HA MET 13 HA MET 13 5.486 -3.013 -3.705 69 HB2 MET 13 1HB MET 13 4.517 -0.750 -3.217 70 HB3 MET 13 2HB MET 13 3.741 -0.801 -4.794 71 HG2 MET 13 1HG MET 13 2.314 -2.535 -4.171 72 HG3 MET 13 2HG MET 13 3.302 -2.967 -2.777 73 HE1 MET 13 1HE MET 13 2.510 0.837 -3.570 74 HE2 MET 13 2HE MET 13 1.238 -0.086 -4.371 75 HE3 MET 13 3HE MET 13 0.849 0.933 -2.984 76 H MET 14 H MET 14 4.324 -4.696 -4.528 77 HA MET 14 HA MET 14 3.678 -4.612 -7.398 78 HB2 MET 14 1HB MET 14 4.902 -6.938 -5.902 79 HB3 MET 14 2HB MET 14 4.388 -6.964 -7.584 80 HG2 MET 14 1HG MET 14 6.032 -5.076 -7.967 81 HG3 MET 14 2HG MET 14 6.660 -5.436 -6.360 82 HE1 MET 14 1HE MET 14 8.251 -6.597 -5.867 83 HE2 MET 14 2HE MET 14 8.374 -8.321 -6.218 84 HE3 MET 14 3HE MET 14 9.405 -7.171 -7.071 85 H ILE 15 H ILE 15 1.547 -4.757 -7.594 86 HA ILE 15 HA ILE 15 0.035 -6.334 -5.630 87 HB ILE 15 HB ILE 15 -1.019 -4.337 -7.635 88 HG12 ILE 15 1HG1 ILE 15 -0.945 -3.835 -4.689 89 HG13 ILE 15 2HG1 ILE 15 0.528 -3.596 -5.622 90 HG21 ILE 15 1HG2 ILE 15 -2.640 -4.884 -5.295 91 HG22 ILE 15 2HG2 ILE 15 -3.077 -4.910 -7.003 92 HG23 ILE 15 3HG2 ILE 15 -2.349 -6.333 -6.257 93 HD11 ILE 15 1HD1 ILE 15 -2.064 -2.127 -5.780 94 HD12 ILE 15 2HD1 ILE 15 -0.426 -1.497 -5.604 95 HD13 ILE 15 3HD1 ILE 15 -0.958 -2.148 -7.154 96 H SER 16 H SER 16 -0.698 -8.266 -6.190 97 HA SER 16 HA SER 16 -1.378 -8.785 -8.996 98 HB2 SER 16 1HB SER 16 0.610 -10.242 -7.314 99 HB3 SER 16 2HB SER 16 -0.385 -11.185 -8.424 100 HG SER 16 HG SER 16 1.508 -9.185 -8.985 101 H THR 17 H THR 17 -3.317 -9.686 -9.210 102 HA THR 17 HA THR 17 -4.791 -10.477 -6.852 103 HB THR 17 HB THR 17 -6.709 -10.728 -8.368 104 HG1 THR 17 1HG THR 17 -5.184 -11.340 -10.194 105 HG21 THR 17 1HG2 THR 17 -6.270 -8.258 -9.461 106 HG22 THR 17 2HG2 THR 17 -5.120 -8.278 -8.123 107 HG23 THR 17 3HG2 THR 17 -6.835 -8.552 -7.816 108 H THR 18 H THR 18 -4.719 -12.470 -6.074 109 HA THR 18 HA THR 18 -4.069 -14.691 -7.881 110 HB THR 18 HB THR 18 -3.657 -15.983 -5.774 111 HG1 THR 18 1HG THR 18 -3.964 -15.056 -3.873 112 HG21 THR 18 1HG2 THR 18 -1.890 -14.698 -7.082 113 HG22 THR 18 2HG2 THR 18 -1.500 -15.091 -5.408 114 HG23 THR 18 3HG2 THR 18 -2.017 -13.460 -5.833 115 H ALA 19 H ALA 19 -6.007 -14.414 -4.901 116 HA ALA 19 HA ALA 19 -7.893 -16.358 -5.951 117 HB1 ALA 19 1HB ALA 19 -8.469 -15.089 -3.362 118 HB2 ALA 19 2HB ALA 19 -8.437 -16.795 -3.812 119 HB3 ALA 19 3HB ALA 19 -6.932 -15.948 -3.456 120 H MET 20 H MET 20 -10.294 -15.841 -5.319 121 HA MET 20 HA MET 20 -11.064 -13.595 -6.909 122 HB2 MET 20 1HB MET 20 -12.676 -15.531 -5.242 123 HB3 MET 20 2HB MET 20 -13.389 -14.286 -6.259 124 HG2 MET 20 1HG MET 20 -11.458 -16.185 -7.481 125 HG3 MET 20 2HG MET 20 -13.085 -16.751 -7.108 126 HE1 MET 20 1HE MET 20 -13.430 -17.319 -9.688 127 HE2 MET 20 2HE MET 20 -13.204 -16.147 -10.986 128 HE3 MET 20 3HE MET 20 -11.815 -16.716 -10.059 129 H ASN 21 H ASN 21 -11.392 -11.571 -6.272 130 HA ASN 21 HA ASN 21 -11.774 -9.742 -4.975 131 HB2 ASN 21 1HB ASN 21 -12.934 -11.585 -2.888 132 HB3 ASN 21 2HB ASN 21 -13.321 -9.891 -3.176 133 HD21 ASN 21 1HD2 ASN 21 -15.204 -9.599 -4.095 134 HD22 ASN 21 2HD2 ASN 21 -15.974 -10.663 -5.217 135 H THR 22 H THR 22 -9.288 -11.184 -4.787 136 HA THR 22 HA THR 22 -8.404 -10.168 -2.186 137 HB THR 22 HB THR 22 -7.067 -12.110 -1.700 138 HG1 THR 22 1HG THR 22 -6.607 -12.747 -3.859 139 HG21 THR 22 1HG2 THR 22 -9.530 -12.088 -1.098 140 HG22 THR 22 2HG2 THR 22 -8.759 -13.674 -1.138 141 HG23 THR 22 3HG2 THR 22 -9.782 -13.157 -2.477 142 H ALA 23 H ALA 23 -6.675 -8.908 -2.392 143 HA ALA 23 HA ALA 23 -5.051 -9.159 -4.838 144 HB1 ALA 23 1HB ALA 23 -4.444 -6.694 -4.103 145 HB2 ALA 23 2HB ALA 23 -5.890 -7.049 -5.049 146 HB3 ALA 23 3HB ALA 23 -6.014 -6.803 -3.307 147 H LEU 24 H LEU 24 -3.095 -9.974 -4.521 148 HA LEU 24 HA LEU 24 -1.951 -10.163 -1.892 149 HB2 LEU 24 1HB LEU 24 -1.666 -11.994 -3.420 150 HB3 LEU 24 2HB LEU 24 -0.919 -10.936 -4.615 151 HG LEU 24 HG LEU 24 1.035 -10.674 -3.201 152 HD11 LEU 24 1HD1 LEU 24 0.268 -10.743 -1.006 153 HD12 LEU 24 2HD1 LEU 24 1.163 -12.252 -1.178 154 HD13 LEU 24 3HD1 LEU 24 -0.598 -12.259 -1.253 155 HD21 LEU 24 1HD2 LEU 24 1.688 -13.164 -3.093 156 HD22 LEU 24 2HD2 LEU 24 1.302 -12.461 -4.664 157 HD23 LEU 24 3HD2 LEU 24 0.109 -13.454 -3.824 158 H LEU 25 H LEU 25 -0.650 -8.740 -0.952 159 HA LEU 25 HA LEU 25 0.539 -6.621 -2.602 160 HB2 LEU 25 1HB LEU 25 -0.012 -6.755 0.358 161 HB3 LEU 25 2HB LEU 25 0.803 -5.414 -0.445 162 HG LEU 25 HG LEU 25 -2.044 -6.282 -0.949 163 HD11 LEU 25 1HD1 LEU 25 -0.902 -4.695 1.130 164 HD12 LEU 25 2HD1 LEU 25 -2.594 -5.093 0.836 165 HD13 LEU 25 3HD1 LEU 25 -1.881 -3.666 0.085 166 HD21 LEU 25 1HD2 LEU 25 -0.285 -4.160 -2.114 167 HD22 LEU 25 2HD2 LEU 25 -2.031 -3.927 -2.026 168 HD23 LEU 25 3HD2 LEU 25 -1.367 -5.289 -2.930 169 H GLN 26 H GLN 26 2.655 -6.607 -2.952 170 HA GLN 26 HA GLN 26 4.467 -7.757 -0.975 171 HB2 GLN 26 1HB GLN 26 4.481 -8.563 -3.888 172 HB3 GLN 26 2HB GLN 26 5.686 -9.030 -2.695 173 HG2 GLN 26 1HG GLN 26 3.552 -9.939 -1.429 174 HG3 GLN 26 2HG GLN 26 2.907 -9.991 -3.068 175 HE21 GLN 26 1HE2 GLN 26 4.614 -11.657 -0.765 176 HE22 GLN 26 2HE2 GLN 26 5.335 -12.860 -1.772 177 H TRP 27 H TRP 27 5.953 -6.275 -0.563 178 HA TRP 27 HA TRP 27 6.988 -4.654 -2.788 179 HB2 TRP 27 1HB TRP 27 7.088 -2.697 -1.283 180 HB3 TRP 27 2HB TRP 27 5.436 -3.257 -1.530 181 HD1 TRP 27 HD TRP 27 8.172 -3.104 1.153 182 HE1 TRP 27 1HE TRP 27 7.080 -3.468 3.455 183 HE3 TRP 27 3HE TRP 27 3.442 -4.300 -0.373 184 HZ2 TRP 27 2HZ TRP 27 4.548 -4.170 4.487 185 HZ3 TRP 27 3HZ TRP 27 1.744 -4.805 1.335 186 HH2 TRP 27 HH TRP 27 2.288 -4.741 3.714 187 H HIS 28 H HIS 28 9.084 -3.548 -2.167 188 HA HIS 28 HA HIS 28 10.645 -5.150 -0.265 189 HB2 HIS 28 1HB HIS 28 11.224 -4.678 -3.171 190 HB3 HIS 28 2HB HIS 28 12.549 -4.914 -2.035 191 HD1 HIS 28 1HD HIS 28 12.494 -7.257 -0.705 192 HD2 HIS 28 2HD HIS 28 10.044 -6.975 -4.048 193 HE1 HIS 28 1HE HIS 28 11.904 -9.626 -1.308 194 HE2 HIS 28 2HE HIS 28 10.491 -9.435 -3.384 195 HA PRO 29 HA PRO 29 12.352 -1.352 1.114 196 HB2 PRO 29 1HB PRO 29 14.900 -2.066 1.724 197 HB3 PRO 29 2HB PRO 29 13.505 -2.562 2.691 198 HG2 PRO 29 1HG PRO 29 15.007 -4.096 0.604 199 HG3 PRO 29 2HG PRO 29 14.408 -4.644 2.181 200 HD2 PRO 29 1HD PRO 29 13.114 -5.180 -0.137 201 HD3 PRO 29 2HD PRO 29 12.259 -4.941 1.401 202 HA PRO 30 HA PRO 30 14.267 0.544 -2.401 203 HB2 PRO 30 1HB PRO 30 14.820 2.944 -1.259 204 HB3 PRO 30 2HB PRO 30 13.190 2.466 -1.750 205 HG2 PRO 30 1HG PRO 30 14.446 2.404 0.967 206 HG3 PRO 30 2HG PRO 30 12.818 2.928 0.499 207 HD2 PRO 30 1HD PRO 30 13.309 0.496 1.583 208 HD3 PRO 30 2HD PRO 30 12.015 0.770 0.400 209 H LYS 31 H LYS 31 16.309 1.962 -2.774 210 HA LYS 31 HA LYS 31 18.528 0.759 -1.254 211 HB2 LYS 31 1HB LYS 31 18.577 -0.014 -3.524 212 HB3 LYS 31 2HB LYS 31 18.363 1.618 -4.144 213 HG2 LYS 31 1HG LYS 31 20.608 1.280 -4.478 214 HG3 LYS 31 2HG LYS 31 20.603 2.091 -2.910 215 HD2 LYS 31 1HD LYS 31 20.665 -0.161 -1.832 216 HD3 LYS 31 2HD LYS 31 20.868 -0.867 -3.437 217 HE2 LYS 31 1HE LYS 31 23.034 -0.667 -2.470 218 HE3 LYS 31 2HE LYS 31 22.898 0.575 -3.713 219 HZ1 LYS 31 1HZ LYS 31 22.453 1.060 -0.819 220 HZ2 LYS 31 2HZ LYS 31 22.516 2.223 -2.045 221 HZ3 LYS 31 3HZ LYS 31 23.911 1.366 -1.620 222 H GLU 32 H GLU 32 17.109 3.696 -2.442 223 HA GLU 32 HA GLU 32 19.410 5.317 -1.746 224 HB2 GLU 32 1HB GLU 32 16.648 6.026 -2.741 225 HB3 GLU 32 2HB GLU 32 17.888 7.218 -2.377 226 HG2 GLU 32 1HG GLU 32 19.334 5.841 -4.033 227 HG3 GLU 32 2HG GLU 32 17.781 5.218 -4.587 228 H LEU 33 H LEU 33 18.107 3.746 0.346 229 HA LEU 33 HA LEU 33 16.822 5.762 2.019 230 HB2 LEU 33 1HB LEU 33 15.844 3.519 1.886 231 HB3 LEU 33 2HB LEU 33 17.339 2.834 2.521 232 HG LEU 33 HG LEU 33 15.921 4.870 4.164 233 HD11 LEU 33 1HD1 LEU 33 14.539 2.661 3.163 234 HD12 LEU 33 2HD1 LEU 33 14.077 3.690 4.517 235 HD13 LEU 33 3HD1 LEU 33 15.007 2.220 4.805 236 HD21 LEU 33 1HD2 LEU 33 16.779 3.480 5.978 237 HD22 LEU 33 2HD2 LEU 33 18.071 3.959 4.878 238 HD23 LEU 33 3HD2 LEU 33 17.410 2.325 4.804 239 HA PRO 34 HA PRO 34 20.910 6.550 3.728 240 HB2 PRO 34 1HB PRO 34 20.146 8.747 5.128 241 HB3 PRO 34 2HB PRO 34 20.487 8.784 3.394 242 HG2 PRO 34 1HG PRO 34 17.850 8.629 4.803 243 HG3 PRO 34 2HG PRO 34 18.312 9.606 3.397 244 HD2 PRO 34 1HD PRO 34 16.919 7.295 3.171 245 HD3 PRO 34 2HD PRO 34 18.068 7.842 1.933 246 H GLY 35 H GLY 35 21.175 4.852 5.152 247 HA2 GLY 35 1HA GLY 35 21.533 4.732 7.624 248 HA3 GLY 35 2HA GLY 35 19.831 5.142 7.769 249 H GLU 36 H GLU 36 18.477 3.506 8.069 250 HA GLU 36 HA GLU 36 18.882 0.964 6.762 251 HB2 GLU 36 1HB GLU 36 19.055 -0.387 8.721 252 HB3 GLU 36 2HB GLU 36 20.294 0.854 8.837 253 HG2 GLU 36 1HG GLU 36 18.385 2.110 10.173 254 HG3 GLU 36 2HG GLU 36 17.846 0.455 10.456 255 H LEU 37 H LEU 37 17.016 -0.252 6.622 256 HA LEU 37 HA LEU 37 14.568 1.114 6.837 257 HB2 LEU 37 1HB LEU 37 15.130 -0.797 5.295 258 HB3 LEU 37 2HB LEU 37 14.921 -1.871 6.676 259 HG LEU 37 HG LEU 37 12.552 -0.834 6.820 260 HD11 LEU 37 1HD1 LEU 37 12.085 0.733 5.321 261 HD12 LEU 37 2HD1 LEU 37 12.173 -0.511 4.075 262 HD13 LEU 37 3HD1 LEU 37 13.600 0.448 4.465 263 HD21 LEU 37 1HD2 LEU 37 11.881 -2.413 4.836 264 HD22 LEU 37 2HD2 LEU 37 12.569 -3.073 6.320 265 HD23 LEU 37 3HD2 LEU 37 13.586 -2.859 4.894 266 H LEU 38 H LEU 38 13.117 1.291 8.431 267 HA LEU 38 HA LEU 38 13.462 -0.408 10.813 268 HB2 LEU 38 1HB LEU 38 12.671 2.499 10.715 269 HB3 LEU 38 2HB LEU 38 12.713 1.504 12.169 270 HG LEU 38 HG LEU 38 15.144 2.100 10.490 271 HD11 LEU 38 1HD1 LEU 38 15.145 4.153 11.326 272 HD12 LEU 38 2HD1 LEU 38 15.303 3.450 12.936 273 HD13 LEU 38 3HD1 LEU 38 13.704 3.816 12.287 274 HD21 LEU 38 1HD2 LEU 38 15.376 1.464 13.344 275 HD22 LEU 38 2HD2 LEU 38 16.320 0.890 11.969 276 HD23 LEU 38 3HD2 LEU 38 14.763 0.148 12.342 277 H GLY 39 H GLY 39 11.329 0.976 8.482 278 HA2 GLY 39 1HA GLY 39 9.267 -0.810 8.825 279 HA3 GLY 39 2HA GLY 39 8.891 0.521 9.909 280 H TYR 40 H TYR 40 7.015 0.236 8.189 281 HA TYR 40 HA TYR 40 7.173 2.562 6.522 282 HB2 TYR 40 1HB TYR 40 6.340 0.951 4.528 283 HB3 TYR 40 2HB TYR 40 8.020 1.430 4.743 284 HD1 TYR 40 1HD TYR 40 6.014 -1.074 6.638 285 HD2 TYR 40 2HD TYR 40 9.265 -0.385 3.982 286 HE1 TYR 40 1HE TYR 40 6.659 -3.440 6.824 287 HE2 TYR 40 2HE TYR 40 9.919 -2.750 4.159 288 HH TYR 40 HH TYR 40 8.081 -5.016 6.189 289 H ARG 41 H ARG 41 5.129 3.203 5.688 290 HA ARG 41 HA ARG 41 2.877 1.874 7.036 291 HB2 ARG 41 1HB ARG 41 3.115 4.119 7.814 292 HB3 ARG 41 2HB ARG 41 3.288 4.735 6.175 293 HG2 ARG 41 1HG ARG 41 0.876 3.687 5.911 294 HG3 ARG 41 2HG ARG 41 0.848 3.937 7.658 295 HD2 ARG 41 1HD ARG 41 -0.074 5.879 6.600 296 HD3 ARG 41 2HD ARG 41 1.501 6.303 7.270 297 HE ARG 41 HE ARG 41 1.522 5.517 4.488 298 HH11 ARG 41 2HH1 ARG 41 1.284 8.135 6.770 299 HH12 ARG 41 1HH1 ARG 41 1.783 9.344 5.634 300 HH21 ARG 41 2HH2 ARG 41 2.179 7.100 2.982 301 HH22 ARG 41 1HH2 ARG 41 2.291 8.754 3.479 302 H LEU 42 H LEU 42 0.990 1.420 5.919 303 HA LEU 42 HA LEU 42 1.191 1.606 2.985 304 HB2 LEU 42 1HB LEU 42 1.192 -0.682 4.293 305 HB3 LEU 42 2HB LEU 42 -0.550 -0.412 4.315 306 HG LEU 42 HG LEU 42 1.207 -0.711 1.882 307 HD11 LEU 42 1HD1 LEU 42 -0.515 -2.623 1.553 308 HD12 LEU 42 2HD1 LEU 42 -0.763 -2.462 3.291 309 HD13 LEU 42 3HD1 LEU 42 0.837 -2.853 2.662 310 HD21 LEU 42 1HD2 LEU 42 -1.513 0.378 2.234 311 HD22 LEU 42 2HD2 LEU 42 -1.301 -0.784 0.924 312 HD23 LEU 42 3HD2 LEU 42 -0.320 0.681 0.971 313 H GLN 43 H GLN 43 -0.458 2.498 1.873 314 HA GLN 43 HA GLN 43 -2.951 3.092 3.308 315 HB2 GLN 43 1HB GLN 43 -1.079 4.996 1.997 316 HB3 GLN 43 2HB GLN 43 -2.802 5.291 1.802 317 HG2 GLN 43 1HG GLN 43 -2.959 5.111 4.332 318 HG3 GLN 43 2HG GLN 43 -1.200 5.221 4.334 319 HE21 GLN 43 1HE2 GLN 43 -3.218 7.045 5.417 320 HE22 GLN 43 2HE2 GLN 43 -2.919 8.575 4.673 321 H TYR 44 H TYR 44 -4.609 2.260 2.243 322 HA TYR 44 HA TYR 44 -4.741 2.484 -0.656 323 HB2 TYR 44 1HB TYR 44 -5.218 0.133 -1.008 324 HB3 TYR 44 2HB TYR 44 -3.652 0.297 -0.220 325 HD1 TYR 44 1HD TYR 44 -7.244 -0.359 0.522 326 HD2 TYR 44 2HD TYR 44 -3.199 -0.904 1.723 327 HE1 TYR 44 1HE TYR 44 -7.984 -1.893 2.296 328 HE2 TYR 44 2HE TYR 44 -3.928 -2.440 3.501 329 HH TYR 44 HH TYR 44 -6.156 -4.015 3.773 330 H CYS 45 H CYS 45 -6.783 2.745 -1.404 331 HA CYS 45 HA CYS 45 -9.067 1.999 0.212 332 HB2 CYS 45 1HB CYS 45 -10.015 4.308 0.166 333 HB3 CYS 45 2HB CYS 45 -8.585 4.154 1.180 334 HG CYS 45 HG CYS 45 -7.640 5.020 -1.838 335 H ARG 46 H ARG 46 -11.151 2.729 -0.945 336 HA ARG 46 HA ARG 46 -11.077 1.683 -3.578 337 HB2 ARG 46 1HB ARG 46 -13.198 2.957 -1.882 338 HB3 ARG 46 2HB ARG 46 -13.509 2.618 -3.579 339 HG2 ARG 46 1HG ARG 46 -12.756 0.229 -3.040 340 HG3 ARG 46 2HG ARG 46 -12.967 0.695 -1.351 341 HD2 ARG 46 1HD ARG 46 -15.297 1.559 -2.279 342 HD3 ARG 46 2HD ARG 46 -14.989 0.318 -3.494 343 HE ARG 46 HE ARG 46 -15.452 -1.268 -1.920 344 HH11 ARG 46 2HH1 ARG 46 -14.744 1.736 -0.308 345 HH12 ARG 46 1HH1 ARG 46 -15.158 1.140 1.265 346 HH21 ARG 46 2HH2 ARG 46 -16.000 -2.064 0.147 347 HH22 ARG 46 1HH2 ARG 46 -15.872 -1.021 1.523 348 H ALA 47 H ALA 47 -11.505 2.703 -5.559 349 HA ALA 47 HA ALA 47 -10.240 5.184 -5.953 350 HB1 ALA 47 1HB ALA 47 -11.783 4.857 -8.195 351 HB2 ALA 47 2HB ALA 47 -10.175 4.175 -7.946 352 HB3 ALA 47 3HB ALA 47 -11.607 3.205 -7.603 353 H ASP 48 H ASP 48 -13.246 4.537 -4.671 354 HA ASP 48 HA ASP 48 -14.421 7.048 -5.632 355 HB2 ASP 48 1HB ASP 48 -15.961 5.263 -5.868 356 HB3 ASP 48 2HB ASP 48 -15.596 4.633 -4.264 357 H GLU 49 H GLU 49 -12.812 5.694 -2.966 358 HA GLU 49 HA GLU 49 -13.972 7.454 -0.986 359 HB2 GLU 49 1HB GLU 49 -11.940 5.280 -0.991 360 HB3 GLU 49 2HB GLU 49 -11.837 6.480 0.289 361 HG2 GLU 49 1HG GLU 49 -14.077 4.582 -0.312 362 HG3 GLU 49 2HG GLU 49 -13.125 4.731 1.164 363 H ALA 50 H ALA 50 -12.535 8.861 0.345 364 HA ALA 50 HA ALA 50 -10.567 10.226 -1.374 365 HB1 ALA 50 1HB ALA 50 -11.737 11.770 0.833 366 HB2 ALA 50 2HB ALA 50 -11.427 12.233 -0.840 367 HB3 ALA 50 3HB ALA 50 -12.870 11.303 -0.436 368 H ARG 51 H ARG 51 -11.232 8.859 1.749 369 HA ARG 51 HA ARG 51 -8.604 9.729 2.735 370 HB2 ARG 51 1HB ARG 51 -11.075 8.727 4.138 371 HB3 ARG 51 2HB ARG 51 -9.516 8.813 4.947 372 HG2 ARG 51 1HG ARG 51 -9.458 11.138 4.857 373 HG3 ARG 51 2HG ARG 51 -10.684 11.211 3.590 374 HD2 ARG 51 1HD ARG 51 -11.657 11.907 5.683 375 HD3 ARG 51 2HD ARG 51 -12.349 10.358 5.204 376 HE ARG 51 HE ARG 51 -10.231 9.748 6.849 377 HH11 ARG 51 2HH1 ARG 51 -13.180 11.580 7.110 378 HH12 ARG 51 1HH1 ARG 51 -13.368 11.283 8.806 379 HH21 ARG 51 2HH2 ARG 51 -10.468 9.350 9.083 380 HH22 ARG 51 1HH2 ARG 51 -11.824 10.015 9.927 381 HA PRO 52 HA PRO 52 -7.284 5.574 1.726 382 HB2 PRO 52 1HB PRO 52 -4.692 5.959 2.434 383 HB3 PRO 52 2HB PRO 52 -5.366 6.537 0.906 384 HG2 PRO 52 1HG PRO 52 -4.876 8.039 3.449 385 HG3 PRO 52 2HG PRO 52 -4.561 8.537 1.776 386 HD2 PRO 52 1HD PRO 52 -6.732 9.374 3.161 387 HD3 PRO 52 2HD PRO 52 -6.759 9.123 1.404 388 H ASN 53 H ASN 53 -6.641 3.737 2.888 389 HA ASN 53 HA ASN 53 -7.183 3.877 5.730 390 HB2 ASN 53 1HB ASN 53 -6.752 1.607 3.795 391 HB3 ASN 53 2HB ASN 53 -6.851 1.336 5.533 392 HD21 ASN 53 1HD2 ASN 53 -8.572 1.878 2.653 393 HD22 ASN 53 2HD2 ASN 53 -10.160 1.911 3.331 394 H THR 54 H THR 54 -5.519 4.631 6.906 395 HA THR 54 HA THR 54 -2.783 4.124 6.274 396 HB THR 54 HB THR 54 -3.842 5.087 8.932 397 HG1 THR 54 1HG THR 54 -4.439 6.234 6.766 398 HG21 THR 54 1HG2 THR 54 -1.219 4.739 7.776 399 HG22 THR 54 2HG2 THR 54 -1.668 5.166 9.427 400 HG23 THR 54 3HG2 THR 54 -1.500 6.426 8.205 401 H ILE 55 H ILE 55 -1.544 2.453 6.825 402 HA ILE 55 HA ILE 55 -2.305 0.800 9.126 403 HB ILE 55 HB ILE 55 -1.542 -0.331 6.431 404 HG12 ILE 55 1HG1 ILE 55 -4.176 -0.698 7.842 405 HG13 ILE 55 2HG1 ILE 55 -3.902 0.662 6.757 406 HG21 ILE 55 1HG2 ILE 55 -0.807 -1.530 8.571 407 HG22 ILE 55 2HG2 ILE 55 -2.519 -1.875 8.808 408 HG23 ILE 55 3HG2 ILE 55 -1.692 -2.467 7.368 409 HD11 ILE 55 1HD1 ILE 55 -4.324 -2.180 6.162 410 HD12 ILE 55 2HD1 ILE 55 -4.730 -0.744 5.223 411 HD13 ILE 55 3HD1 ILE 55 -3.085 -1.377 5.198 412 H ASP 56 H ASP 56 -0.618 -0.062 10.265 413 HA ASP 56 HA ASP 56 2.034 0.944 9.561 414 HB2 ASP 56 1HB ASP 56 1.215 1.405 11.825 415 HB3 ASP 56 2HB ASP 56 1.025 -0.321 12.118 416 H PHE 57 H PHE 57 3.792 -0.342 9.200 417 HA PHE 57 HA PHE 57 3.459 -3.245 9.382 418 HB2 PHE 57 1HB PHE 57 4.075 -1.675 6.898 419 HB3 PHE 57 2HB PHE 57 4.687 -3.316 7.085 420 HD1 PHE 57 1HD PHE 57 2.929 -5.125 7.692 421 HD2 PHE 57 2HD PHE 57 1.974 -1.333 6.012 422 HE1 PHE 57 1HE PHE 57 0.775 -6.019 6.907 423 HE2 PHE 57 2HE PHE 57 -0.182 -2.220 5.225 424 HZ PHE 57 HZ PHE 57 -0.784 -4.565 5.674 425 H GLY 58 H GLY 58 5.285 -4.338 9.938 426 HA2 GLY 58 1HA GLY 58 7.547 -2.728 10.783 427 HA3 GLY 58 2HA GLY 58 7.298 -4.436 11.113 428 H LYS 59 H LYS 59 9.728 -3.169 10.235 429 HA LYS 59 HA LYS 59 10.364 -3.261 7.591 430 HB2 LYS 59 1HB LYS 59 12.631 -3.727 8.220 431 HB3 LYS 59 2HB LYS 59 11.923 -2.710 9.468 432 HG2 LYS 59 1HG LYS 59 11.459 -4.879 10.729 433 HG3 LYS 59 2HG LYS 59 12.567 -5.636 9.582 434 HD2 LYS 59 1HD LYS 59 14.027 -5.085 11.260 435 HD3 LYS 59 2HD LYS 59 14.124 -3.627 10.270 436 HE2 LYS 59 1HE LYS 59 12.276 -2.694 11.750 437 HE3 LYS 59 2HE LYS 59 12.599 -4.052 12.827 438 HZ1 LYS 59 1HZ LYS 59 14.422 -3.072 13.604 439 HZ2 LYS 59 2HZ LYS 59 13.876 -1.652 12.864 440 HZ3 LYS 59 3HZ LYS 59 14.979 -2.653 12.062 441 H ASP 60 H ASP 60 9.415 -5.904 9.573 442 HA ASP 60 HA ASP 60 10.508 -7.957 7.873 443 HB2 ASP 60 1HB ASP 60 8.382 -8.244 10.003 444 HB3 ASP 60 2HB ASP 60 9.397 -9.519 9.332 445 H ASP 61 H ASP 61 7.371 -6.423 8.367 446 HA ASP 61 HA ASP 61 5.881 -8.135 6.687 447 HB2 ASP 61 1HB ASP 61 5.473 -5.433 7.876 448 HB3 ASP 61 2HB ASP 61 4.428 -5.907 6.539 449 H GLN 62 H GLN 62 6.890 -8.480 4.736 450 HA GLN 62 HA GLN 62 7.425 -6.146 3.044 451 HB2 GLN 62 1HB GLN 62 8.337 -9.007 2.967 452 HB3 GLN 62 2HB GLN 62 8.463 -7.984 1.542 453 HG2 GLN 62 1HG GLN 62 9.857 -6.416 2.767 454 HG3 GLN 62 2HG GLN 62 9.706 -7.403 4.220 455 HE21 GLN 62 1HE2 GLN 62 10.936 -7.353 0.929 456 HE22 GLN 62 2HE2 GLN 62 12.170 -8.537 1.174 457 H HIS 63 H HIS 63 4.921 -8.130 3.680 458 HA HIS 63 HA HIS 63 3.612 -7.506 1.194 459 HB2 HIS 63 1HB HIS 63 2.931 -10.020 0.972 460 HB3 HIS 63 2HB HIS 63 4.466 -9.472 0.306 461 HD1 HIS 63 1HD HIS 63 6.401 -10.874 0.922 462 HD2 HIS 63 2HD HIS 63 3.345 -11.148 3.723 463 HE1 HIS 63 1HE HIS 63 7.180 -12.575 2.603 464 HE2 HIS 63 2HE HIS 63 5.279 -12.787 4.241 465 H PHE 64 H PHE 64 1.309 -8.122 1.226 466 HA PHE 64 HA PHE 64 0.228 -8.788 3.850 467 HB2 PHE 64 1HB PHE 64 0.481 -6.273 3.690 468 HB3 PHE 64 2HB PHE 64 -0.706 -6.315 2.391 469 HD1 PHE 64 2HD PHE 64 -0.298 -7.583 5.878 470 HD2 PHE 64 1HD PHE 64 -2.890 -5.906 2.947 471 HE1 PHE 64 2HE PHE 64 -2.111 -7.489 7.539 472 HE2 PHE 64 1HE PHE 64 -4.706 -5.808 4.604 473 HZ PHE 64 HZ PHE 64 -4.318 -6.601 6.903 474 H THR 65 H THR 65 -1.749 -9.782 3.783 475 HA THR 65 HA THR 65 -2.722 -10.478 1.106 476 HB THR 65 HB THR 65 -3.416 -11.783 3.743 477 HG1 THR 65 1HG THR 65 -1.404 -12.468 3.513 478 HG21 THR 65 1HG2 THR 65 -4.149 -13.650 2.270 479 HG22 THR 65 2HG2 THR 65 -3.879 -12.605 0.875 480 HG23 THR 65 3HG2 THR 65 -5.106 -12.183 2.070 481 H VAL 66 H VAL 66 -4.285 -9.175 0.396 482 HA VAL 66 HA VAL 66 -6.273 -8.158 2.303 483 HB VAL 66 HB VAL 66 -5.670 -7.253 -0.516 484 HG11 VAL 66 1HG1 VAL 66 -7.831 -6.584 -0.359 485 HG12 VAL 66 2HG1 VAL 66 -7.820 -6.586 1.405 486 HG13 VAL 66 3HG1 VAL 66 -7.094 -5.244 0.519 487 HG21 VAL 66 1HG2 VAL 66 -5.059 -5.976 2.147 488 HG22 VAL 66 2HG2 VAL 66 -3.887 -6.683 1.035 489 HG23 VAL 66 3HG2 VAL 66 -4.782 -5.236 0.571 490 H THR 67 H THR 67 -8.210 -9.067 2.368 491 HA THR 67 HA THR 67 -9.263 -10.347 -0.064 492 HB THR 67 HB THR 67 -10.228 -12.152 1.264 493 HG1 THR 67 1HG THR 67 -9.750 -10.536 3.294 494 HG21 THR 67 1HG2 THR 67 -7.611 -12.584 2.319 495 HG22 THR 67 2HG2 THR 67 -7.466 -11.772 0.760 496 HG23 THR 67 3HG2 THR 67 -8.353 -13.291 0.885 497 H GLY 68 H GLY 68 -11.523 -10.311 -0.314 498 HA2 GLY 68 1HA GLY 68 -13.732 -9.779 0.404 499 HA3 GLY 68 2HA GLY 68 -13.045 -8.759 1.660 500 H LEU 69 H LEU 69 -11.423 -8.259 -1.220 501 HA LEU 69 HA LEU 69 -12.343 -5.606 -1.486 502 HB2 LEU 69 1HB LEU 69 -10.803 -7.345 -3.406 503 HB3 LEU 69 2HB LEU 69 -11.050 -5.611 -3.603 504 HG LEU 69 HG LEU 69 -9.583 -6.870 -1.288 505 HD11 LEU 69 1HD1 LEU 69 -8.730 -6.220 -4.003 506 HD12 LEU 69 2HD1 LEU 69 -7.953 -7.219 -2.775 507 HD13 LEU 69 3HD1 LEU 69 -7.745 -5.468 -2.749 508 HD21 LEU 69 1HD2 LEU 69 -8.912 -4.657 -0.733 509 HD22 LEU 69 2HD2 LEU 69 -10.664 -4.632 -0.937 510 HD23 LEU 69 3HD2 LEU 69 -9.618 -4.004 -2.211 511 H HIS 70 H HIS 70 -13.716 -4.642 -2.945 512 HA HIS 70 HA HIS 70 -15.860 -6.253 -3.930 513 HB2 HIS 70 1HB HIS 70 -15.218 -3.315 -4.176 514 HB3 HIS 70 2HB HIS 70 -16.649 -4.039 -4.904 515 HD1 HIS 70 1HD HIS 70 -16.937 -1.873 -2.755 516 HD2 HIS 70 2HD HIS 70 -16.916 -5.950 -1.952 517 HE1 HIS 70 1HE HIS 70 -18.129 -2.132 -0.556 518 HE2 HIS 70 2HE HIS 70 -18.029 -4.597 -0.049 519 H LYS 71 H LYS 71 -16.003 -7.242 -5.826 520 HA LYS 71 HA LYS 71 -13.951 -7.151 -7.757 521 HB2 LYS 71 1HB LYS 71 -16.629 -8.420 -7.543 522 HB3 LYS 71 2HB LYS 71 -15.949 -8.264 -9.157 523 HG2 LYS 71 1HG LYS 71 -13.824 -9.297 -7.966 524 HG3 LYS 71 2HG LYS 71 -15.057 -9.928 -6.871 525 HD2 LYS 71 1HD LYS 71 -16.242 -10.903 -8.790 526 HD3 LYS 71 2HD LYS 71 -14.985 -10.292 -9.868 527 HE2 LYS 71 1HE LYS 71 -14.547 -12.238 -7.605 528 HE3 LYS 71 2HE LYS 71 -14.684 -12.674 -9.308 529 HZ1 LYS 71 1HZ LYS 71 -12.470 -11.447 -7.880 530 HZ2 LYS 71 2HZ LYS 71 -12.765 -10.848 -9.434 531 HZ3 LYS 71 3HZ LYS 71 -12.455 -12.496 -9.208 532 H GLY 72 H GLY 72 -14.013 -6.397 -9.932 533 HA2 GLY 72 1HA GLY 72 -14.371 -4.798 -11.539 534 HA3 GLY 72 2HA GLY 72 -16.064 -4.880 -11.073 535 H THR 73 H THR 73 -13.471 -3.921 -8.912 536 HA THR 73 HA THR 73 -14.431 -1.141 -9.048 537 HB THR 73 HB THR 73 -13.912 -2.780 -6.569 538 HG1 THR 73 1HG THR 73 -16.020 -2.912 -6.814 539 HG21 THR 73 1HG2 THR 73 -14.289 -0.690 -5.299 540 HG22 THR 73 2HG2 THR 73 -14.248 0.211 -6.814 541 HG23 THR 73 3HG2 THR 73 -12.810 -0.644 -6.257 542 H THR 74 H THR 74 -12.887 0.386 -9.121 543 HA THR 74 HA THR 74 -10.145 -0.439 -9.388 544 HB THR 74 HB THR 74 -11.283 2.363 -9.387 545 HG1 THR 74 1HG THR 74 -12.108 1.693 -11.222 546 HG21 THR 74 1HG2 THR 74 -8.682 1.696 -9.147 547 HG22 THR 74 2HG2 THR 74 -9.242 3.135 -9.999 548 HG23 THR 74 3HG2 THR 74 -8.843 1.674 -10.902 549 H TYR 75 H TYR 75 -8.443 -0.028 -8.039 550 HA TYR 75 HA TYR 75 -9.016 1.324 -5.493 551 HB2 TYR 75 1HB TYR 75 -7.868 -1.420 -5.908 552 HB3 TYR 75 2HB TYR 75 -7.441 -0.484 -4.479 553 HD1 TYR 75 2HD TYR 75 -10.346 -1.861 -6.345 554 HD2 TYR 75 1HD TYR 75 -8.863 -0.442 -2.619 555 HE1 TYR 75 2HE TYR 75 -12.412 -2.615 -5.243 556 HE2 TYR 75 1HE TYR 75 -10.923 -1.194 -1.505 557 HH TYR 75 HH TYR 75 -13.497 -1.612 -2.486 558 H ILE 76 H ILE 76 -7.115 2.104 -4.376 559 HA ILE 76 HA ILE 76 -4.779 2.453 -6.135 560 HB ILE 76 HB ILE 76 -5.913 4.579 -4.316 561 HG12 ILE 76 1HG1 ILE 76 -6.122 5.623 -6.795 562 HG13 ILE 76 2HG1 ILE 76 -6.380 3.922 -7.170 563 HG21 ILE 76 1HG2 ILE 76 -3.495 4.703 -4.591 564 HG22 ILE 76 2HG2 ILE 76 -3.684 4.678 -6.344 565 HG23 ILE 76 3HG2 ILE 76 -4.291 6.046 -5.411 566 HD11 ILE 76 1HD1 ILE 76 -8.361 3.836 -6.045 567 HD12 ILE 76 2HD1 ILE 76 -7.914 5.130 -4.932 568 HD13 ILE 76 3HD1 ILE 76 -8.378 5.513 -6.589 569 H PHE 77 H PHE 77 -3.076 1.517 -5.235 570 HA PHE 77 HA PHE 77 -2.907 1.363 -2.310 571 HB2 PHE 77 1HB PHE 77 -1.612 -0.228 -4.518 572 HB3 PHE 77 2HB PHE 77 -1.047 -0.315 -2.853 573 HD1 PHE 77 2HD PHE 77 -2.407 -1.346 -1.129 574 HD2 PHE 77 1HD PHE 77 -3.720 -1.185 -5.174 575 HE1 PHE 77 2HE PHE 77 -4.122 -3.040 -0.636 576 HE2 PHE 77 1HE PHE 77 -5.438 -2.879 -4.688 577 HZ PHE 77 HZ PHE 77 -5.639 -3.810 -2.417 578 H ARG 78 H ARG 78 -1.335 2.359 -1.186 579 HA ARG 78 HA ARG 78 0.905 3.559 -2.656 580 HB2 ARG 78 1HB ARG 78 -1.025 4.957 -0.822 581 HB3 ARG 78 2HB ARG 78 0.607 5.567 -1.060 582 HG2 ARG 78 1HG ARG 78 -0.075 5.339 -3.608 583 HG3 ARG 78 2HG ARG 78 -1.694 5.515 -2.927 584 HD2 ARG 78 1HD ARG 78 0.402 7.400 -2.002 585 HD3 ARG 78 2HD ARG 78 -0.210 7.604 -3.643 586 HE ARG 78 HE ARG 78 -2.249 8.265 -2.782 587 HH11 ARG 78 2HH1 ARG 78 -0.191 7.074 -0.239 588 HH12 ARG 78 1HH1 ARG 78 -1.207 7.661 1.036 589 HH21 ARG 78 2HH2 ARG 78 -3.595 9.042 -1.112 590 HH22 ARG 78 1HH2 ARG 78 -3.144 8.780 0.538 591 H LEU 79 H LEU 79 2.826 3.327 -1.677 592 HA LEU 79 HA LEU 79 2.867 2.594 1.171 593 HB2 LEU 79 1HB LEU 79 3.124 0.597 -0.278 594 HB3 LEU 79 2HB LEU 79 4.563 1.334 -0.979 595 HG LEU 79 HG LEU 79 5.551 1.318 1.349 596 HD11 LEU 79 1HD1 LEU 79 3.062 0.787 2.202 597 HD12 LEU 79 2HD1 LEU 79 4.514 0.350 3.102 598 HD13 LEU 79 3HD1 LEU 79 3.703 -0.853 2.100 599 HD21 LEU 79 1HD2 LEU 79 6.606 -0.339 0.288 600 HD22 LEU 79 2HD2 LEU 79 5.129 -0.892 -0.501 601 HD23 LEU 79 3HD2 LEU 79 5.504 -1.422 1.139 602 H ALA 80 H ALA 80 4.986 2.922 2.198 603 HA ALA 80 HA ALA 80 6.864 4.661 0.840 604 HB1 ALA 80 1HB ALA 80 5.009 6.130 1.741 605 HB2 ALA 80 2HB ALA 80 5.571 5.687 3.353 606 HB3 ALA 80 3HB ALA 80 6.648 6.541 2.247 607 H ALA 81 H ALA 81 8.882 4.726 1.815 608 HA ALA 81 HA ALA 81 9.348 2.636 3.784 609 HB1 ALA 81 1HB ALA 81 10.713 3.071 1.621 610 HB2 ALA 81 2HB ALA 81 11.517 4.310 2.586 611 HB3 ALA 81 3HB ALA 81 11.558 2.624 3.103 612 H LYS 82 H LYS 82 10.334 2.943 5.775 613 HA LYS 82 HA LYS 82 10.494 5.735 6.707 614 HB2 LYS 82 1HB LYS 82 8.541 4.215 7.543 615 HB3 LYS 82 2HB LYS 82 9.780 3.480 8.551 616 HG2 LYS 82 1HG LYS 82 10.288 5.922 9.264 617 HG3 LYS 82 2HG LYS 82 8.671 6.249 8.637 618 HD2 LYS 82 1HD LYS 82 9.230 4.067 10.632 619 HD3 LYS 82 2HD LYS 82 8.840 5.720 11.113 620 HE2 LYS 82 1HE LYS 82 6.713 5.585 9.965 621 HE3 LYS 82 2HE LYS 82 7.111 3.978 9.360 622 HZ1 LYS 82 1HZ LYS 82 5.762 4.528 11.656 623 HZ2 LYS 82 2HZ LYS 82 7.319 4.169 12.210 624 HZ3 LYS 82 3HZ LYS 82 6.478 3.047 11.263 625 H ASN 83 H ASN 83 12.473 6.291 7.306 626 HA ASN 83 HA ASN 83 14.292 4.186 8.276 627 HB2 ASN 83 1HB ASN 83 16.146 5.564 7.418 628 HB3 ASN 83 2HB ASN 83 15.024 5.118 6.136 629 HD21 ASN 83 1HD2 ASN 83 16.443 7.044 5.344 630 HD22 ASN 83 2HD2 ASN 83 15.696 8.595 5.497 631 H ARG 84 H ARG 84 16.242 5.413 9.478 632 HA ARG 84 HA ARG 84 15.376 6.121 11.972 633 HB2 ARG 84 1HB ARG 84 17.887 6.824 10.477 634 HB3 ARG 84 2HB ARG 84 17.628 7.386 12.124 635 HG2 ARG 84 1HG ARG 84 17.275 4.492 11.550 636 HG3 ARG 84 2HG ARG 84 18.912 5.149 11.616 637 HD2 ARG 84 1HD ARG 84 16.835 5.447 13.783 638 HD3 ARG 84 2HD ARG 84 18.134 4.255 13.786 639 HE ARG 84 HE ARG 84 19.116 6.917 13.482 640 HH11 ARG 84 2HH1 ARG 84 17.967 4.595 15.808 641 HH12 ARG 84 1HH1 ARG 84 18.839 5.294 17.132 642 HH21 ARG 84 2HH2 ARG 84 20.269 7.846 15.217 643 HH22 ARG 84 1HH2 ARG 84 20.148 7.144 16.795 644 H ALA 85 H ALA 85 15.821 8.215 9.181 645 HA ALA 85 HA ALA 85 15.357 10.646 10.629 646 HB1 ALA 85 1HB ALA 85 15.072 10.349 7.658 647 HB2 ALA 85 2HB ALA 85 15.594 11.754 8.588 648 HB3 ALA 85 3HB ALA 85 16.654 10.353 8.438 649 H GLY 86 H GLY 86 13.392 8.338 8.887 650 HA2 GLY 86 1HA GLY 86 11.022 8.431 9.854 651 HA3 GLY 86 2HA GLY 86 11.040 10.079 9.244 652 H LEU 87 H LEU 87 9.110 9.296 8.072 653 HA LEU 87 HA LEU 87 9.364 7.358 6.007 654 HB2 LEU 87 1HB LEU 87 7.340 9.579 6.232 655 HB3 LEU 87 2HB LEU 87 7.191 8.105 5.277 656 HG LEU 87 HG LEU 87 7.512 7.885 8.235 657 HD11 LEU 87 1HD1 LEU 87 5.457 8.609 8.769 658 HD12 LEU 87 2HD1 LEU 87 4.745 8.018 7.268 659 HD13 LEU 87 3HD1 LEU 87 5.601 9.559 7.290 660 HD21 LEU 87 1HD2 LEU 87 5.569 6.248 6.787 661 HD22 LEU 87 2HD2 LEU 87 6.847 5.772 7.906 662 HD23 LEU 87 3HD2 LEU 87 7.226 6.075 6.209 663 H GLY 88 H GLY 88 9.466 7.661 3.756 664 HA2 GLY 88 1HA GLY 88 10.425 10.324 2.908 665 HA3 GLY 88 2HA GLY 88 11.234 8.849 2.401 666 H GLU 89 H GLU 89 10.911 9.163 0.214 667 HA GLU 89 HA GLU 89 8.611 9.968 -1.074 668 HB2 GLU 89 1HB GLU 89 10.930 8.267 -1.848 669 HB3 GLU 89 2HB GLU 89 9.534 8.286 -2.916 670 HG2 GLU 89 1HG GLU 89 10.680 10.872 -1.991 671 HG3 GLU 89 2HG GLU 89 11.510 9.962 -3.252 672 H GLU 90 H GLU 90 7.094 8.669 -2.386 673 HA GLU 90 HA GLU 90 6.466 6.066 -1.174 674 HB2 GLU 90 1HB GLU 90 3.992 6.823 -1.521 675 HB3 GLU 90 2HB GLU 90 4.869 7.337 -0.087 676 HG2 GLU 90 1HG GLU 90 4.002 9.334 -0.680 677 HG3 GLU 90 2HG GLU 90 5.466 9.389 -1.661 678 H PHE 91 H PHE 91 4.779 4.877 -2.510 679 HA PHE 91 HA PHE 91 5.188 5.422 -5.376 680 HB2 PHE 91 1HB PHE 91 6.548 3.493 -4.574 681 HB3 PHE 91 2HB PHE 91 5.058 2.687 -4.091 682 HD1 PHE 91 2HD PHE 91 3.479 1.882 -5.779 683 HD2 PHE 91 1HD PHE 91 7.212 3.617 -6.863 684 HE1 PHE 91 2HE PHE 91 3.257 0.938 -8.041 685 HE2 PHE 91 1HE PHE 91 6.995 2.677 -9.127 686 HZ PHE 91 HZ PHE 91 5.017 1.335 -9.718 687 H GLU 92 H GLU 92 3.424 5.348 -6.655 688 HA GLU 92 HA GLU 92 0.881 4.584 -5.378 689 HB2 GLU 92 1HB GLU 92 0.874 6.931 -5.849 690 HB3 GLU 92 2HB GLU 92 1.483 6.667 -7.477 691 HG2 GLU 92 1HG GLU 92 -1.114 5.442 -6.706 692 HG3 GLU 92 2HG GLU 92 -1.049 7.173 -7.035 693 H LYS 93 H LYS 93 -0.562 3.299 -6.475 694 HA LYS 93 HA LYS 93 0.004 2.465 -9.196 695 HB2 LYS 93 1HB LYS 93 1.284 0.998 -7.434 696 HB3 LYS 93 2HB LYS 93 -0.297 0.269 -7.182 697 HG2 LYS 93 1HG LYS 93 1.024 0.478 -9.876 698 HG3 LYS 93 2HG LYS 93 1.181 -0.920 -8.810 699 HD2 LYS 93 1HD LYS 93 -1.349 -1.029 -8.802 700 HD3 LYS 93 2HD LYS 93 -1.312 0.150 -10.115 701 HE2 LYS 93 1HE LYS 93 0.172 -2.468 -10.206 702 HE3 LYS 93 2HE LYS 93 -1.475 -2.275 -10.805 703 HZ1 LYS 93 1HZ LYS 93 0.364 -0.297 -11.801 704 HZ2 LYS 93 2HZ LYS 93 -0.763 -1.243 -12.635 705 HZ3 LYS 93 3HZ LYS 93 0.761 -1.876 -12.261 706 H GLU 94 H GLU 94 -1.839 2.163 -10.276 707 HA GLU 94 HA GLU 94 -4.317 1.898 -8.713 708 HB2 GLU 94 1HB GLU 94 -4.104 3.935 -10.115 709 HB3 GLU 94 2HB GLU 94 -3.968 2.913 -11.539 710 HG2 GLU 94 1HG GLU 94 -6.201 2.098 -11.242 711 HG3 GLU 94 2HG GLU 94 -6.347 2.937 -9.699 712 H ILE 95 H ILE 95 -5.581 0.158 -8.957 713 HA ILE 95 HA ILE 95 -5.186 -1.579 -11.287 714 HB ILE 95 HB ILE 95 -5.051 -3.571 -9.998 715 HG12 ILE 95 1HG1 ILE 95 -6.593 -3.096 -8.217 716 HG13 ILE 95 2HG1 ILE 95 -5.039 -3.490 -7.489 717 HG21 ILE 95 1HG2 ILE 95 -2.871 -3.263 -9.729 718 HG22 ILE 95 2HG2 ILE 95 -3.122 -1.519 -9.807 719 HG23 ILE 95 3HG2 ILE 95 -3.160 -2.347 -8.251 720 HD11 ILE 95 1HD1 ILE 95 -4.758 -0.857 -7.599 721 HD12 ILE 95 2HD1 ILE 95 -6.519 -0.933 -7.542 722 HD13 ILE 95 3HD1 ILE 95 -5.563 -1.669 -6.257 723 H ARG 96 H ARG 96 -6.907 -3.460 -11.101 724 HA ARG 96 HA ARG 96 -9.416 -2.575 -9.941 725 HB2 ARG 96 1HB ARG 96 -9.196 -1.495 -12.228 726 HB3 ARG 96 2HB ARG 96 -9.274 -3.116 -12.905 727 HG2 ARG 96 1HG ARG 96 -11.488 -3.398 -12.326 728 HG3 ARG 96 2HG ARG 96 -11.415 -2.181 -11.050 729 HD2 ARG 96 1HD ARG 96 -12.693 -1.320 -12.904 730 HD3 ARG 96 2HD ARG 96 -11.173 -0.434 -12.781 731 HE ARG 96 HE ARG 96 -10.971 -2.622 -14.591 732 HH11 ARG 96 2HH1 ARG 96 -12.165 0.633 -14.271 733 HH12 ARG 96 1HH1 ARG 96 -12.057 0.978 -15.965 734 HH21 ARG 96 2HH2 ARG 96 -10.824 -2.179 -16.824 735 HH22 ARG 96 1HH2 ARG 96 -11.295 -0.623 -17.417 736 H THR 97 H THR 97 -10.307 -4.298 -9.037 737 HA THR 97 HA THR 97 -9.383 -6.919 -9.383 738 HB THR 97 HB THR 97 -11.473 -7.599 -8.162 739 HG1 THR 97 1HG THR 97 -12.014 -4.865 -7.772 740 HG21 THR 97 1HG2 THR 97 -10.321 -5.272 -6.696 741 HG22 THR 97 2HG2 THR 97 -9.248 -6.590 -7.167 742 HG23 THR 97 3HG2 THR 97 -10.640 -6.912 -6.134 743 HA PRO 98 HA PRO 98 -11.415 -8.220 -13.076 744 HB2 PRO 98 1HB PRO 98 -11.227 -10.902 -12.705 745 HB3 PRO 98 2HB PRO 98 -9.847 -9.896 -13.160 746 HG2 PRO 98 1HG PRO 98 -10.624 -10.938 -10.463 747 HG3 PRO 98 2HG PRO 98 -9.019 -10.864 -11.214 748 HD2 PRO 98 1HD PRO 98 -9.854 -9.055 -9.380 749 HD3 PRO 98 2HD PRO 98 -8.742 -8.634 -10.698 750 H GLU 99 H GLU 99 -13.557 -7.872 -13.187 751 HA GLU 99 HA GLU 99 -15.423 -8.774 -11.251 752 HB2 GLU 99 1HB GLU 99 -17.127 -8.068 -12.976 753 HB3 GLU 99 2HB GLU 99 -15.986 -6.823 -12.486 754 HG2 GLU 99 1HG GLU 99 -14.959 -6.762 -14.513 755 HG3 GLU 99 2HG GLU 99 -15.309 -8.453 -14.867 756 H ASP 100 H ASP 100 -16.746 -10.522 -11.205 757 HA ASP 100 HA ASP 100 -15.985 -12.877 -12.500 758 HB2 ASP 100 1HB ASP 100 -18.169 -13.782 -11.673 759 HB3 ASP 100 2HB ASP 100 -17.209 -12.984 -10.431 760 H LEU 101 H LEU 101 -17.375 -14.222 -13.928 761 HA LEU 101 HA LEU 101 -19.248 -12.870 -15.647 762 HB2 LEU 101 1HB LEU 101 -18.044 -12.704 -17.570 763 HB3 LEU 101 2HB LEU 101 -16.769 -12.398 -16.392 764 HG LEU 101 HG LEU 101 -17.284 -14.990 -17.850 765 HD11 LEU 101 1HD1 LEU 101 -15.792 -14.329 -19.360 766 HD12 LEU 101 2HD1 LEU 101 -14.673 -13.770 -18.118 767 HD13 LEU 101 3HD1 LEU 101 -15.958 -12.706 -18.689 768 HD21 LEU 101 1HD2 LEU 101 -16.296 -14.833 -15.351 769 HD22 LEU 101 2HD2 LEU 101 -14.818 -14.594 -16.283 770 HD23 LEU 101 3HD2 LEU 101 -15.791 -16.045 -16.528 771 H SER 102 H SER 102 -20.686 -14.279 -16.454 772 HA SER 102 HA SER 102 -19.993 -17.143 -16.378 773 HB2 SER 102 1HB SER 102 -22.397 -15.694 -15.363 774 HB3 SER 102 2HB SER 102 -22.627 -17.304 -16.045 775 HG SER 102 HG SER 102 -22.165 -17.740 -13.987 776 H GLY 103 H GLY 103 -21.502 -18.477 -17.782 777 HA2 GLY 103 1HA GLY 103 -22.889 -17.283 -19.942 778 HA3 GLY 103 2HA GLY 103 -21.258 -17.702 -20.447 779 HA PRO 104 HA PRO 104 -23.825 -21.719 -19.404 780 HB2 PRO 104 1HB PRO 104 -26.463 -21.443 -19.986 781 HB3 PRO 104 2HB PRO 104 -25.797 -21.143 -18.376 782 HG2 PRO 104 1HG PRO 104 -26.501 -19.187 -20.530 783 HG3 PRO 104 2HG PRO 104 -26.809 -19.089 -18.786 784 HD2 PRO 104 1HD PRO 104 -24.767 -17.772 -19.981 785 HD3 PRO 104 2HD PRO 104 -24.663 -18.388 -18.320 786 H SER 105 H SER 105 -24.071 -23.294 -20.942 787 HA SER 105 HA SER 105 -24.284 -22.362 -23.728 788 HB2 SER 105 1HB SER 105 -23.004 -24.391 -24.335 789 HB3 SER 105 2HB SER 105 -22.111 -23.357 -23.219 790 HG SER 105 HG SER 105 -23.063 -24.793 -21.538 791 H SER 106 H SER 106 -26.533 -22.489 -23.863 792 HA SER 106 HA SER 106 -27.893 -24.956 -23.223 793 HB2 SER 106 1HB SER 106 -28.934 -22.687 -22.923 794 HB3 SER 106 2HB SER 106 -28.992 -22.542 -24.679 795 HG SER 106 HG SER 106 -30.929 -23.394 -23.544 796 H GLY 107 H GLY 107 -25.873 -25.369 -25.103 797 HA2 GLY 107 1HA GLY 107 -26.711 -25.303 -27.784 798 HA3 GLY 107 2HA GLY 107 -25.491 -26.383 -27.126 Start of MODEL 17 1 H1 GLY 1 H GLY 1 10.206 25.781 9.953 2 HA2 GLY 1 1HA GLY 1 7.736 26.058 8.429 3 HA3 GLY 1 2HA GLY 1 9.213 26.548 7.613 4 H SER 2 H SER 2 10.099 25.049 6.373 5 HA SER 2 HA SER 2 9.551 22.222 6.993 6 HB2 SER 2 1HB SER 2 9.902 21.788 4.583 7 HB3 SER 2 2HB SER 2 8.588 22.931 4.860 8 HG SER 2 HG SER 2 11.248 23.543 4.080 9 H SER 3 H SER 3 11.241 21.352 7.998 10 HA SER 3 HA SER 3 13.884 22.318 7.858 11 HB2 SER 3 1HB SER 3 14.494 20.254 9.059 12 HB3 SER 3 2HB SER 3 13.062 21.005 9.762 13 HG SER 3 HG SER 3 13.286 18.651 8.254 14 H GLY 4 H GLY 4 12.279 19.587 6.257 15 HA2 GLY 4 1HA GLY 4 12.765 18.711 4.153 16 HA3 GLY 4 2HA GLY 4 14.187 19.742 4.081 17 H SER 5 H SER 5 13.308 17.412 6.596 18 HA SER 5 HA SER 5 15.877 16.335 6.813 19 HB2 SER 5 1HB SER 5 13.970 16.159 8.489 20 HB3 SER 5 2HB SER 5 13.339 14.845 7.496 21 HG SER 5 HG SER 5 15.774 14.962 8.927 22 H SER 6 H SER 6 16.960 15.260 5.310 23 HA SER 6 HA SER 6 16.068 14.210 2.963 24 HB2 SER 6 1HB SER 6 18.443 14.430 3.464 25 HB3 SER 6 2HB SER 6 18.332 13.150 4.673 26 HG SER 6 HG SER 6 17.393 12.423 2.201 27 H GLY 7 H GLY 7 14.584 12.730 2.516 28 HA2 GLY 7 1HA GLY 7 14.210 10.503 4.418 29 HA3 GLY 7 2HA GLY 7 12.942 11.160 3.392 30 HA PRO 8 HA PRO 8 15.178 7.439 1.443 31 HB2 PRO 8 1HB PRO 8 13.234 5.580 1.813 32 HB3 PRO 8 2HB PRO 8 14.535 5.855 2.978 33 HG2 PRO 8 1HG PRO 8 11.713 6.853 3.019 34 HG3 PRO 8 2HG PRO 8 12.686 6.193 4.347 35 HD2 PRO 8 1HD PRO 8 12.305 8.852 4.001 36 HD3 PRO 8 2HD PRO 8 13.800 8.183 4.686 37 H GLY 9 H GLY 9 14.506 6.357 -0.526 38 HA2 GLY 9 1HA GLY 9 12.827 8.022 -2.142 39 HA3 GLY 9 2HA GLY 9 13.640 6.551 -2.656 40 H ARG 10 H ARG 10 11.654 6.140 -3.848 41 HA ARG 10 HA ARG 10 9.351 5.379 -2.218 42 HB2 ARG 10 1HB ARG 10 8.218 5.081 -4.426 43 HB3 ARG 10 2HB ARG 10 8.809 6.712 -4.137 44 HG2 ARG 10 1HG ARG 10 10.660 6.381 -5.604 45 HG3 ARG 10 2HG ARG 10 10.299 4.660 -5.753 46 HD2 ARG 10 1HD ARG 10 8.513 5.015 -7.147 47 HD3 ARG 10 2HD ARG 10 8.193 6.624 -6.502 48 HE ARG 10 HE ARG 10 9.949 5.943 -8.675 49 HH11 ARG 10 2HH1 ARG 10 9.214 8.286 -6.207 50 HH12 ARG 10 1HH1 ARG 10 9.976 9.598 -7.043 51 HH21 ARG 10 2HH2 ARG 10 10.954 7.663 -9.786 52 HH22 ARG 10 1HH2 ARG 10 10.964 9.243 -9.079 53 HA PRO 11 HA PRO 11 10.618 1.131 -2.306 54 HB2 PRO 11 1HB PRO 11 8.328 0.094 -1.280 55 HB3 PRO 11 2HB PRO 11 9.529 0.935 -0.292 56 HG2 PRO 11 1HG PRO 11 6.959 1.962 -1.432 57 HG3 PRO 11 2HG PRO 11 7.646 2.213 0.183 58 HD2 PRO 11 1HD PRO 11 7.815 4.074 -1.777 59 HD3 PRO 11 2HD PRO 11 9.076 3.868 -0.545 60 H THR 12 H THR 12 10.110 -0.808 -3.410 61 HA THR 12 HA THR 12 8.536 -0.382 -5.823 62 HB THR 12 HB THR 12 10.234 -2.774 -5.095 63 HG1 THR 12 1HG THR 12 10.866 -0.261 -6.142 64 HG21 THR 12 1HG2 THR 12 9.448 -3.665 -6.978 65 HG22 THR 12 2HG2 THR 12 10.091 -2.294 -7.883 66 HG23 THR 12 3HG2 THR 12 8.445 -2.241 -7.253 67 H MET 13 H MET 13 6.403 -0.646 -5.387 68 HA MET 13 HA MET 13 5.537 -2.973 -3.847 69 HB2 MET 13 1HB MET 13 4.606 -0.647 -3.448 70 HB3 MET 13 2HB MET 13 3.799 -0.794 -5.003 71 HG2 MET 13 1HG MET 13 2.359 -2.434 -4.253 72 HG3 MET 13 2HG MET 13 3.414 -2.892 -2.918 73 HE1 MET 13 1HE MET 13 1.028 1.058 -2.973 74 HE2 MET 13 2HE MET 13 2.507 0.798 -3.896 75 HE3 MET 13 3HE MET 13 1.038 -0.084 -4.316 76 H MET 14 H MET 14 4.374 -4.648 -4.682 77 HA MET 14 HA MET 14 3.685 -4.555 -7.535 78 HB2 MET 14 1HB MET 14 5.090 -6.862 -6.176 79 HB3 MET 14 2HB MET 14 4.554 -6.823 -7.850 80 HG2 MET 14 1HG MET 14 6.085 -4.842 -8.162 81 HG3 MET 14 2HG MET 14 6.742 -5.216 -6.571 82 HE1 MET 14 1HE MET 14 9.579 -6.855 -7.318 83 HE2 MET 14 2HE MET 14 8.409 -6.295 -6.124 84 HE3 MET 14 3HE MET 14 8.545 -8.016 -6.485 85 H ILE 15 H ILE 15 1.517 -4.603 -7.402 86 HA ILE 15 HA ILE 15 0.195 -6.338 -5.478 87 HB ILE 15 HB ILE 15 -0.996 -4.455 -7.517 88 HG12 ILE 15 1HG1 ILE 15 -1.042 -3.961 -4.572 89 HG13 ILE 15 2HG1 ILE 15 0.449 -3.634 -5.450 90 HG21 ILE 15 1HG2 ILE 15 -2.537 -5.296 -5.151 91 HG22 ILE 15 2HG2 ILE 15 -3.062 -5.021 -6.812 92 HG23 ILE 15 3HG2 ILE 15 -2.268 -6.535 -6.377 93 HD11 ILE 15 1HD1 ILE 15 -1.455 -2.421 -7.006 94 HD12 ILE 15 2HD1 ILE 15 -2.036 -2.137 -5.365 95 HD13 ILE 15 3HD1 ILE 15 -0.414 -1.623 -5.828 96 H SER 16 H SER 16 -0.667 -8.263 -5.930 97 HA SER 16 HA SER 16 -1.180 -8.981 -8.728 98 HB2 SER 16 1HB SER 16 0.494 -10.546 -6.761 99 HB3 SER 16 2HB SER 16 -0.206 -11.274 -8.207 100 HG SER 16 HG SER 16 1.653 -9.137 -8.078 101 H THR 17 H THR 17 -2.857 -10.415 -9.052 102 HA THR 17 HA THR 17 -4.518 -10.940 -6.681 103 HB THR 17 HB THR 17 -6.426 -11.097 -8.201 104 HG1 THR 17 1HG THR 17 -5.926 -10.352 -10.456 105 HG21 THR 17 1HG2 THR 17 -6.727 -8.856 -8.316 106 HG22 THR 17 2HG2 THR 17 -5.205 -8.588 -9.166 107 HG23 THR 17 3HG2 THR 17 -5.211 -8.817 -7.418 108 H THR 18 H THR 18 -4.801 -12.966 -6.024 109 HA THR 18 HA THR 18 -4.277 -15.150 -7.933 110 HB THR 18 HB THR 18 -2.470 -15.500 -6.588 111 HG1 THR 18 1HG THR 18 -3.212 -16.936 -4.758 112 HG21 THR 18 1HG2 THR 18 -2.755 -13.543 -5.193 113 HG22 THR 18 2HG2 THR 18 -2.390 -14.935 -4.174 114 HG23 THR 18 3HG2 THR 18 -4.045 -14.336 -4.289 115 H ALA 19 H ALA 19 -5.952 -14.218 -4.948 116 HA ALA 19 HA ALA 19 -7.816 -16.448 -5.295 117 HB1 ALA 19 1HB ALA 19 -7.906 -16.511 -3.078 118 HB2 ALA 19 2HB ALA 19 -6.673 -15.249 -3.039 119 HB3 ALA 19 3HB ALA 19 -8.382 -14.814 -3.001 120 H MET 20 H MET 20 -10.160 -15.838 -4.613 121 HA MET 20 HA MET 20 -11.064 -13.866 -6.505 122 HB2 MET 20 1HB MET 20 -13.348 -14.574 -5.651 123 HB3 MET 20 2HB MET 20 -12.377 -15.831 -6.405 124 HG2 MET 20 1HG MET 20 -11.920 -16.870 -4.375 125 HG3 MET 20 2HG MET 20 -12.357 -15.442 -3.440 126 HE1 MET 20 1HE MET 20 -16.045 -15.109 -4.337 127 HE2 MET 20 2HE MET 20 -15.480 -15.213 -2.669 128 HE3 MET 20 3HE MET 20 -14.534 -14.330 -3.868 129 H ASN 21 H ASN 21 -11.491 -11.802 -6.097 130 HA ASN 21 HA ASN 21 -11.875 -9.846 -5.002 131 HB2 ASN 21 1HB ASN 21 -13.160 -11.699 -2.984 132 HB3 ASN 21 2HB ASN 21 -13.295 -9.944 -2.952 133 HD21 ASN 21 1HD2 ASN 21 -15.377 -9.619 -3.397 134 HD22 ASN 21 2HD2 ASN 21 -16.190 -10.186 -4.813 135 H THR 22 H THR 22 -9.362 -11.146 -4.643 136 HA THR 22 HA THR 22 -8.565 -9.895 -2.118 137 HB THR 22 HB THR 22 -7.332 -11.713 -1.319 138 HG1 THR 22 1HG THR 22 -6.247 -12.509 -3.037 139 HG21 THR 22 1HG2 THR 22 -9.564 -13.275 -2.558 140 HG22 THR 22 2HG2 THR 22 -9.926 -11.986 -1.409 141 HG23 THR 22 3HG2 THR 22 -8.921 -13.350 -0.918 142 H ALA 23 H ALA 23 -6.862 -8.606 -2.379 143 HA ALA 23 HA ALA 23 -5.219 -8.948 -4.801 144 HB1 ALA 23 1HB ALA 23 -4.661 -6.463 -4.298 145 HB2 ALA 23 2HB ALA 23 -6.205 -6.872 -5.047 146 HB3 ALA 23 3HB ALA 23 -6.129 -6.515 -3.321 147 H LEU 24 H LEU 24 -3.294 -9.802 -4.398 148 HA LEU 24 HA LEU 24 -2.133 -9.783 -1.775 149 HB2 LEU 24 1HB LEU 24 -1.948 -11.659 -3.424 150 HB3 LEU 24 2HB LEU 24 -0.859 -10.642 -4.365 151 HG LEU 24 HG LEU 24 0.724 -10.622 -2.485 152 HD11 LEU 24 1HD1 LEU 24 0.130 -11.220 -0.437 153 HD12 LEU 24 2HD1 LEU 24 -0.315 -12.830 -1.000 154 HD13 LEU 24 3HD1 LEU 24 -1.504 -11.528 -1.024 155 HD21 LEU 24 1HD2 LEU 24 0.876 -13.340 -2.525 156 HD22 LEU 24 2HD2 LEU 24 1.495 -12.276 -3.788 157 HD23 LEU 24 3HD2 LEU 24 -0.097 -13.017 -3.960 158 H LEU 25 H LEU 25 -0.419 -8.623 -1.020 159 HA LEU 25 HA LEU 25 0.627 -6.515 -2.794 160 HB2 LEU 25 1HB LEU 25 0.431 -6.315 0.198 161 HB3 LEU 25 2HB LEU 25 0.743 -5.025 -0.962 162 HG LEU 25 HG LEU 25 -1.882 -6.494 -0.784 163 HD11 LEU 25 1HD1 LEU 25 -2.098 -3.841 0.169 164 HD12 LEU 25 2HD1 LEU 25 -0.781 -4.616 1.048 165 HD13 LEU 25 3HD1 LEU 25 -2.386 -5.347 1.042 166 HD21 LEU 25 1HD2 LEU 25 -2.696 -4.497 -1.995 167 HD22 LEU 25 2HD2 LEU 25 -1.508 -5.425 -2.912 168 HD23 LEU 25 3HD2 LEU 25 -1.032 -3.925 -2.114 169 H GLN 26 H GLN 26 2.712 -6.704 -3.239 170 HA GLN 26 HA GLN 26 4.510 -7.809 -1.198 171 HB2 GLN 26 1HB GLN 26 4.889 -8.480 -4.100 172 HB3 GLN 26 2HB GLN 26 5.566 -9.277 -2.686 173 HG2 GLN 26 1HG GLN 26 3.990 -10.805 -3.222 174 HG3 GLN 26 2HG GLN 26 3.008 -9.758 -2.197 175 HE21 GLN 26 1HE2 GLN 26 1.234 -8.868 -3.028 176 HE22 GLN 26 2HE2 GLN 26 0.781 -8.915 -4.695 177 H TRP 27 H TRP 27 5.976 -6.323 -0.728 178 HA TRP 27 HA TRP 27 7.081 -4.693 -2.914 179 HB2 TRP 27 1HB TRP 27 7.178 -2.759 -1.386 180 HB3 TRP 27 2HB TRP 27 5.523 -3.300 -1.654 181 HD1 TRP 27 HD TRP 27 8.259 -3.303 1.050 182 HE1 TRP 27 1HE TRP 27 7.135 -3.647 3.340 183 HE3 TRP 27 3HE TRP 27 3.478 -4.204 -0.521 184 HZ2 TRP 27 2HZ TRP 27 4.562 -4.224 4.347 185 HZ3 TRP 27 3HZ TRP 27 1.745 -4.643 1.169 186 HH2 TRP 27 HH TRP 27 2.277 -4.653 3.552 187 H HIS 28 H HIS 28 9.198 -3.685 -2.318 188 HA HIS 28 HA HIS 28 10.702 -5.321 -0.393 189 HB2 HIS 28 1HB HIS 28 11.307 -4.819 -3.284 190 HB3 HIS 28 2HB HIS 28 12.631 -5.054 -2.147 191 HD1 HIS 28 1HD HIS 28 12.279 -7.384 -0.641 192 HD2 HIS 28 2HD HIS 28 10.451 -7.138 -4.363 193 HE1 HIS 28 1HE HIS 28 11.782 -9.758 -1.304 194 HE2 HIS 28 2HE HIS 28 10.754 -9.590 -3.597 195 HA PRO 29 HA PRO 29 12.435 -1.573 1.089 196 HB2 PRO 29 1HB PRO 29 14.955 -2.342 1.743 197 HB3 PRO 29 2HB PRO 29 13.531 -2.829 2.670 198 HG2 PRO 29 1HG PRO 29 15.052 -4.357 0.593 199 HG3 PRO 29 2HG PRO 29 14.407 -4.918 2.146 200 HD2 PRO 29 1HD PRO 29 13.156 -5.394 -0.208 201 HD3 PRO 29 2HD PRO 29 12.272 -5.164 1.314 202 HA PRO 30 HA PRO 30 14.432 0.289 -2.412 203 HB2 PRO 30 1HB PRO 30 14.836 2.733 -1.300 204 HB3 PRO 30 2HB PRO 30 13.254 2.186 -1.870 205 HG2 PRO 30 1HG PRO 30 14.353 2.231 0.914 206 HG3 PRO 30 2HG PRO 30 12.738 2.687 0.341 207 HD2 PRO 30 1HD PRO 30 13.248 0.299 1.512 208 HD3 PRO 30 2HD PRO 30 12.016 0.500 0.250 209 H LYS 31 H LYS 31 16.477 1.392 -2.921 210 HA LYS 31 HA LYS 31 18.623 0.488 -1.127 211 HB2 LYS 31 1HB LYS 31 18.502 -0.371 -3.514 212 HB3 LYS 31 2HB LYS 31 18.899 1.262 -4.031 213 HG2 LYS 31 1HG LYS 31 21.052 1.136 -3.247 214 HG3 LYS 31 2HG LYS 31 20.658 -0.100 -2.049 215 HD2 LYS 31 1HD LYS 31 21.858 -1.284 -3.650 216 HD3 LYS 31 2HD LYS 31 20.180 -1.603 -4.095 217 HE2 LYS 31 1HE LYS 31 20.263 -0.124 -5.909 218 HE3 LYS 31 2HE LYS 31 21.719 0.669 -5.310 219 HZ1 LYS 31 1HZ LYS 31 21.493 -2.029 -6.514 220 HZ2 LYS 31 2HZ LYS 31 22.875 -1.505 -5.692 221 HZ3 LYS 31 3HZ LYS 31 22.371 -0.705 -7.095 222 H GLU 32 H GLU 32 17.187 3.268 -2.592 223 HA GLU 32 HA GLU 32 19.452 4.987 -1.994 224 HB2 GLU 32 1HB GLU 32 16.709 5.701 -3.046 225 HB3 GLU 32 2HB GLU 32 18.101 6.772 -2.973 226 HG2 GLU 32 1HG GLU 32 19.274 5.090 -4.475 227 HG3 GLU 32 2HG GLU 32 17.681 4.380 -4.730 228 H LEU 33 H LEU 33 18.051 3.599 0.177 229 HA LEU 33 HA LEU 33 16.719 5.777 1.597 230 HB2 LEU 33 1HB LEU 33 15.575 3.693 1.708 231 HB3 LEU 33 2HB LEU 33 17.045 2.843 2.181 232 HG LEU 33 HG LEU 33 15.999 4.967 3.986 233 HD11 LEU 33 1HD1 LEU 33 14.639 2.403 3.364 234 HD12 LEU 33 2HD1 LEU 33 13.964 3.954 3.863 235 HD13 LEU 33 3HD1 LEU 33 14.734 2.905 5.053 236 HD21 LEU 33 1HD2 LEU 33 16.737 2.987 5.573 237 HD22 LEU 33 2HD2 LEU 33 17.914 4.100 4.874 238 HD23 LEU 33 3HD2 LEU 33 17.664 2.511 4.150 239 HA PRO 34 HA PRO 34 20.643 6.678 3.545 240 HB2 PRO 34 1HB PRO 34 19.733 8.804 4.967 241 HB3 PRO 34 2HB PRO 34 20.120 8.895 3.245 242 HG2 PRO 34 1HG PRO 34 17.456 8.582 4.572 243 HG3 PRO 34 2HG PRO 34 17.908 9.610 3.200 244 HD2 PRO 34 1HD PRO 34 16.637 7.240 2.887 245 HD3 PRO 34 2HD PRO 34 17.792 7.869 1.695 246 H GLY 35 H GLY 35 20.838 4.871 4.893 247 HA2 GLY 35 1HA GLY 35 21.190 4.691 7.367 248 HA3 GLY 35 2HA GLY 35 19.489 5.111 7.512 249 H GLU 36 H GLU 36 18.551 3.336 8.321 250 HA GLU 36 HA GLU 36 18.828 0.850 6.780 251 HB2 GLU 36 1HB GLU 36 20.064 0.146 8.567 252 HB3 GLU 36 2HB GLU 36 19.309 1.283 9.675 253 HG2 GLU 36 1HG GLU 36 18.704 -0.924 10.335 254 HG3 GLU 36 2HG GLU 36 17.276 -0.136 9.665 255 H LEU 37 H LEU 37 16.993 -0.468 6.711 256 HA LEU 37 HA LEU 37 14.513 0.893 6.824 257 HB2 LEU 37 1HB LEU 37 15.062 -0.954 5.260 258 HB3 LEU 37 2HB LEU 37 15.005 -2.074 6.619 259 HG LEU 37 HG LEU 37 12.561 -1.073 6.861 260 HD11 LEU 37 1HD1 LEU 37 11.693 -0.030 5.089 261 HD12 LEU 37 2HD1 LEU 37 12.470 -1.126 3.948 262 HD13 LEU 37 3HD1 LEU 37 13.364 0.248 4.598 263 HD21 LEU 37 1HD2 LEU 37 13.060 -3.073 4.684 264 HD22 LEU 37 2HD2 LEU 37 11.760 -3.029 5.875 265 HD23 LEU 37 3HD2 LEU 37 13.399 -3.450 6.374 266 H LEU 38 H LEU 38 13.147 1.165 8.457 267 HA LEU 38 HA LEU 38 13.423 -0.581 10.816 268 HB2 LEU 38 1HB LEU 38 12.523 2.295 10.785 269 HB3 LEU 38 2HB LEU 38 12.771 1.282 12.206 270 HG LEU 38 HG LEU 38 14.967 2.135 10.322 271 HD11 LEU 38 1HD1 LEU 38 15.470 3.417 12.644 272 HD12 LEU 38 2HD1 LEU 38 13.709 3.483 12.612 273 HD13 LEU 38 3HD1 LEU 38 14.639 4.147 11.270 274 HD21 LEU 38 1HD2 LEU 38 15.394 1.211 13.117 275 HD22 LEU 38 2HD2 LEU 38 16.446 1.078 11.708 276 HD23 LEU 38 3HD2 LEU 38 15.055 0.005 11.875 277 H GLY 39 H GLY 39 11.260 1.020 8.589 278 HA2 GLY 39 1HA GLY 39 9.203 -0.846 8.885 279 HA3 GLY 39 2HA GLY 39 8.830 0.513 9.935 280 H TYR 40 H TYR 40 6.964 0.234 8.219 281 HA TYR 40 HA TYR 40 7.172 2.510 6.494 282 HB2 TYR 40 1HB TYR 40 6.327 0.855 4.536 283 HB3 TYR 40 2HB TYR 40 8.008 1.332 4.743 284 HD1 TYR 40 1HD TYR 40 5.966 -1.121 6.671 285 HD2 TYR 40 2HD TYR 40 9.268 -0.499 4.061 286 HE1 TYR 40 1HE TYR 40 6.600 -3.484 6.920 287 HE2 TYR 40 2HE TYR 40 9.911 -2.860 4.303 288 HH TYR 40 HH TYR 40 8.169 -5.024 6.497 289 H ARG 41 H ARG 41 5.154 3.211 5.705 290 HA ARG 41 HA ARG 41 2.867 1.921 7.029 291 HB2 ARG 41 1HB ARG 41 3.124 4.161 7.796 292 HB3 ARG 41 2HB ARG 41 3.352 4.767 6.161 293 HG2 ARG 41 1HG ARG 41 0.935 3.830 5.802 294 HG3 ARG 41 2HG ARG 41 0.847 3.974 7.559 295 HD2 ARG 41 1HD ARG 41 0.004 5.986 6.463 296 HD3 ARG 41 2HD ARG 41 1.454 6.331 7.404 297 HE ARG 41 HE ARG 41 1.894 5.783 4.596 298 HH11 ARG 41 2HH1 ARG 41 1.364 8.191 7.054 299 HH12 ARG 41 1HH1 ARG 41 2.050 9.481 6.122 300 HH21 ARG 41 2HH2 ARG 41 2.799 7.472 3.360 301 HH22 ARG 41 1HH2 ARG 41 2.865 9.071 4.021 302 H LEU 42 H LEU 42 1.090 1.302 5.892 303 HA LEU 42 HA LEU 42 1.265 1.543 2.963 304 HB2 LEU 42 1HB LEU 42 1.258 -0.739 4.306 305 HB3 LEU 42 2HB LEU 42 -0.484 -0.478 4.264 306 HG LEU 42 HG LEU 42 1.396 -0.958 1.973 307 HD11 LEU 42 1HD1 LEU 42 -1.254 -2.243 2.536 308 HD12 LEU 42 2HD1 LEU 42 0.233 -2.813 3.293 309 HD13 LEU 42 3HD1 LEU 42 0.075 -2.833 1.536 310 HD21 LEU 42 1HD2 LEU 42 0.168 0.815 1.099 311 HD22 LEU 42 2HD2 LEU 42 -1.302 0.347 1.955 312 HD23 LEU 42 3HD2 LEU 42 -0.740 -0.605 0.580 313 H GLN 43 H GLN 43 -0.300 2.578 1.897 314 HA GLN 43 HA GLN 43 -2.851 3.073 3.273 315 HB2 GLN 43 1HB GLN 43 -1.603 5.157 1.510 316 HB3 GLN 43 2HB GLN 43 -2.864 5.348 2.721 317 HG2 GLN 43 1HG GLN 43 -1.084 4.736 4.433 318 HG3 GLN 43 2HG GLN 43 0.083 4.989 3.136 319 HE21 GLN 43 1HE2 GLN 43 -2.778 6.627 4.462 320 HE22 GLN 43 2HE2 GLN 43 -2.075 8.204 4.484 321 H TYR 44 H TYR 44 -4.433 2.189 2.136 322 HA TYR 44 HA TYR 44 -4.590 2.629 -0.727 323 HB2 TYR 44 1HB TYR 44 -4.849 0.282 -1.298 324 HB3 TYR 44 2HB TYR 44 -3.291 0.531 -0.520 325 HD1 TYR 44 1HD TYR 44 -6.798 -0.447 0.315 326 HD2 TYR 44 2HD TYR 44 -2.658 -0.899 1.186 327 HE1 TYR 44 1HE TYR 44 -7.339 -2.205 1.948 328 HE2 TYR 44 2HE TYR 44 -3.187 -2.659 2.820 329 HH TYR 44 HH TYR 44 -5.428 -4.383 3.006 330 H CYS 45 H CYS 45 -6.644 2.884 -1.384 331 HA CYS 45 HA CYS 45 -8.848 1.667 0.030 332 HB2 CYS 45 1HB CYS 45 -8.185 3.861 1.240 333 HB3 CYS 45 2HB CYS 45 -8.886 4.667 -0.158 334 HG CYS 45 HG CYS 45 -11.405 4.255 0.397 335 H ARG 46 H ARG 46 -10.993 2.520 -0.963 336 HA ARG 46 HA ARG 46 -11.071 1.856 -3.640 337 HB2 ARG 46 1HB ARG 46 -12.924 3.236 -1.775 338 HB3 ARG 46 2HB ARG 46 -13.266 3.393 -3.492 339 HG2 ARG 46 1HG ARG 46 -13.016 0.814 -3.523 340 HG3 ARG 46 2HG ARG 46 -13.267 0.947 -1.782 341 HD2 ARG 46 1HD ARG 46 -15.139 2.389 -3.584 342 HD3 ARG 46 2HD ARG 46 -15.283 0.635 -3.471 343 HE ARG 46 HE ARG 46 -15.175 1.574 -0.876 344 HH11 ARG 46 2HH1 ARG 46 -17.244 1.960 -3.649 345 HH12 ARG 46 1HH1 ARG 46 -18.673 2.232 -2.708 346 HH21 ARG 46 2HH2 ARG 46 -17.049 1.931 0.374 347 HH22 ARG 46 1HH2 ARG 46 -18.561 2.216 -0.420 348 H ALA 47 H ALA 47 -11.511 3.130 -5.540 349 HA ALA 47 HA ALA 47 -9.772 5.396 -5.745 350 HB1 ALA 47 1HB ALA 47 -9.829 5.008 -7.950 351 HB2 ALA 47 2HB ALA 47 -10.648 3.510 -7.508 352 HB3 ALA 47 3HB ALA 47 -11.590 4.921 -7.989 353 H ASP 48 H ASP 48 -12.755 5.168 -4.474 354 HA ASP 48 HA ASP 48 -13.681 7.749 -5.532 355 HB2 ASP 48 1HB ASP 48 -15.848 7.127 -5.069 356 HB3 ASP 48 2HB ASP 48 -15.136 5.548 -5.388 357 H GLU 49 H GLU 49 -12.237 6.285 -2.827 358 HA GLU 49 HA GLU 49 -13.202 8.199 -0.889 359 HB2 GLU 49 1HB GLU 49 -11.427 5.818 -0.851 360 HB3 GLU 49 2HB GLU 49 -11.153 7.034 0.389 361 HG2 GLU 49 1HG GLU 49 -13.595 5.373 -0.100 362 HG3 GLU 49 2HG GLU 49 -12.620 5.507 1.363 363 H ALA 50 H ALA 50 -12.041 9.869 0.037 364 HA ALA 50 HA ALA 50 -9.950 10.984 -1.636 365 HB1 ALA 50 1HB ALA 50 -10.404 12.586 0.664 366 HB2 ALA 50 2HB ALA 50 -10.865 12.903 -1.008 367 HB3 ALA 50 3HB ALA 50 -11.966 12.034 0.060 368 H ARG 51 H ARG 51 -10.292 9.485 1.498 369 HA ARG 51 HA ARG 51 -7.411 9.884 1.972 370 HB2 ARG 51 1HB ARG 51 -7.803 9.792 4.314 371 HB3 ARG 51 2HB ARG 51 -9.007 10.889 3.653 372 HG2 ARG 51 1HG ARG 51 -10.482 8.721 3.577 373 HG3 ARG 51 2HG ARG 51 -9.347 8.172 4.812 374 HD2 ARG 51 1HD ARG 51 -10.694 10.844 5.010 375 HD3 ARG 51 2HD ARG 51 -11.496 9.374 5.563 376 HE ARG 51 HE ARG 51 -8.998 9.377 6.737 377 HH11 ARG 51 2HH1 ARG 51 -11.820 11.416 6.741 378 HH12 ARG 51 1HH1 ARG 51 -11.558 11.998 8.352 379 HH21 ARG 51 2HH2 ARG 51 -8.642 10.137 8.859 380 HH22 ARG 51 1HH2 ARG 51 -9.749 11.270 9.555 381 HA PRO 52 HA PRO 52 -7.190 5.496 1.240 382 HB2 PRO 52 1HB PRO 52 -4.524 5.272 1.701 383 HB3 PRO 52 2HB PRO 52 -5.187 5.928 0.200 384 HG2 PRO 52 1HG PRO 52 -4.111 7.378 2.587 385 HG3 PRO 52 2HG PRO 52 -3.851 7.711 0.865 386 HD2 PRO 52 1HD PRO 52 -5.617 9.108 2.368 387 HD3 PRO 52 2HD PRO 52 -5.873 8.794 0.640 388 H ASN 53 H ASN 53 -6.760 3.592 2.451 389 HA ASN 53 HA ASN 53 -7.238 3.881 5.258 390 HB2 ASN 53 1HB ASN 53 -6.697 1.445 3.549 391 HB3 ASN 53 2HB ASN 53 -7.115 1.376 5.259 392 HD21 ASN 53 1HD2 ASN 53 -8.317 1.171 2.216 393 HD22 ASN 53 2HD2 ASN 53 -9.976 1.538 2.532 394 H THR 54 H THR 54 -5.574 4.688 6.413 395 HA THR 54 HA THR 54 -2.843 4.121 5.918 396 HB THR 54 HB THR 54 -3.953 5.060 8.560 397 HG1 THR 54 1HG THR 54 -3.735 6.397 6.090 398 HG21 THR 54 1HG2 THR 54 -1.821 5.429 9.093 399 HG22 THR 54 2HG2 THR 54 -1.571 6.365 7.619 400 HG23 THR 54 3HG2 THR 54 -1.351 4.615 7.601 401 H ILE 55 H ILE 55 -1.492 2.612 6.740 402 HA ILE 55 HA ILE 55 -2.372 0.910 8.936 403 HB ILE 55 HB ILE 55 -1.493 -0.294 6.310 404 HG12 ILE 55 1HG1 ILE 55 -4.251 -0.379 7.541 405 HG13 ILE 55 2HG1 ILE 55 -3.788 0.765 6.285 406 HG21 ILE 55 1HG2 ILE 55 -1.222 -2.197 7.420 407 HG22 ILE 55 2HG2 ILE 55 -1.461 -1.305 8.922 408 HG23 ILE 55 3HG2 ILE 55 -2.834 -2.070 8.122 409 HD11 ILE 55 1HD1 ILE 55 -4.829 -0.935 5.115 410 HD12 ILE 55 2HD1 ILE 55 -3.118 -1.327 4.944 411 HD13 ILE 55 3HD1 ILE 55 -4.110 -2.199 6.112 412 H ASP 56 H ASP 56 -0.706 -0.009 10.091 413 HA ASP 56 HA ASP 56 1.963 1.003 9.442 414 HB2 ASP 56 1HB ASP 56 0.931 1.426 11.705 415 HB3 ASP 56 2HB ASP 56 1.054 -0.304 12.010 416 H PHE 57 H PHE 57 3.738 -0.307 9.203 417 HA PHE 57 HA PHE 57 3.383 -3.200 9.430 418 HB2 PHE 57 1HB PHE 57 4.055 -1.707 6.910 419 HB3 PHE 57 2HB PHE 57 4.626 -3.355 7.154 420 HD1 PHE 57 1HD PHE 57 2.878 -5.144 7.665 421 HD2 PHE 57 2HD PHE 57 1.917 -1.305 6.100 422 HE1 PHE 57 1HE PHE 57 0.716 -6.012 6.873 423 HE2 PHE 57 2HE PHE 57 -0.246 -2.166 5.306 424 HZ PHE 57 HZ PHE 57 -0.850 -4.522 5.692 425 H GLY 58 H GLY 58 5.276 -4.349 9.805 426 HA2 GLY 58 1HA GLY 58 7.512 -2.699 10.711 427 HA3 GLY 58 2HA GLY 58 7.253 -4.396 11.089 428 H LYS 59 H LYS 59 9.666 -3.062 10.120 429 HA LYS 59 HA LYS 59 10.327 -3.250 7.516 430 HB2 LYS 59 1HB LYS 59 12.592 -3.929 8.201 431 HB3 LYS 59 2HB LYS 59 11.948 -2.660 9.235 432 HG2 LYS 59 1HG LYS 59 11.200 -4.731 10.699 433 HG3 LYS 59 2HG LYS 59 12.550 -5.497 9.857 434 HD2 LYS 59 1HD LYS 59 14.102 -3.965 10.724 435 HD3 LYS 59 2HD LYS 59 12.841 -2.828 11.204 436 HE2 LYS 59 1HE LYS 59 13.066 -5.576 12.400 437 HE3 LYS 59 2HE LYS 59 13.949 -4.195 13.050 438 HZ1 LYS 59 1HZ LYS 59 11.972 -3.117 13.623 439 HZ2 LYS 59 2HZ LYS 59 11.715 -4.724 14.084 440 HZ3 LYS 59 3HZ LYS 59 11.017 -4.130 12.662 441 H ASP 60 H ASP 60 9.487 -5.902 9.593 442 HA ASP 60 HA ASP 60 10.498 -7.970 7.894 443 HB2 ASP 60 1HB ASP 60 10.104 -8.250 10.343 444 HB3 ASP 60 2HB ASP 60 8.371 -8.170 10.035 445 H ASP 61 H ASP 61 7.334 -6.471 8.401 446 HA ASP 61 HA ASP 61 5.901 -8.171 6.650 447 HB2 ASP 61 1HB ASP 61 5.395 -5.563 7.989 448 HB3 ASP 61 2HB ASP 61 4.386 -5.966 6.602 449 H GLN 62 H GLN 62 6.931 -8.385 4.689 450 HA GLN 62 HA GLN 62 7.439 -5.969 3.120 451 HB2 GLN 62 1HB GLN 62 8.211 -8.856 2.693 452 HB3 GLN 62 2HB GLN 62 8.531 -7.582 1.524 453 HG2 GLN 62 1HG GLN 62 9.946 -6.432 3.098 454 HG3 GLN 62 2HG GLN 62 9.551 -7.603 4.354 455 HE21 GLN 62 1HE2 GLN 62 10.722 -7.604 1.000 456 HE22 GLN 62 2HE2 GLN 62 11.962 -8.778 1.255 457 H HIS 63 H HIS 63 4.986 -8.151 3.611 458 HA HIS 63 HA HIS 63 3.640 -7.300 1.184 459 HB2 HIS 63 1HB HIS 63 2.903 -9.798 0.888 460 HB3 HIS 63 2HB HIS 63 4.432 -9.245 0.210 461 HD1 HIS 63 1HD HIS 63 6.274 -10.819 0.641 462 HD2 HIS 63 2HD HIS 63 3.446 -10.903 3.683 463 HE1 HIS 63 1HE HIS 63 7.087 -12.556 2.268 464 HE2 HIS 63 2HE HIS 63 5.316 -12.650 4.056 465 H PHE 64 H PHE 64 1.319 -8.102 1.185 466 HA PHE 64 HA PHE 64 0.253 -8.727 3.815 467 HB2 PHE 64 1HB PHE 64 0.482 -6.198 3.628 468 HB3 PHE 64 2HB PHE 64 -0.746 -6.275 2.369 469 HD1 PHE 64 2HD PHE 64 -0.218 -7.565 5.833 470 HD2 PHE 64 1HD PHE 64 -2.899 -5.845 3.010 471 HE1 PHE 64 2HE PHE 64 -1.976 -7.493 7.552 472 HE2 PHE 64 1HE PHE 64 -4.662 -5.769 4.725 473 HZ PHE 64 HZ PHE 64 -4.202 -6.595 6.999 474 H THR 65 H THR 65 -1.766 -9.672 3.763 475 HA THR 65 HA THR 65 -2.731 -10.384 1.081 476 HB THR 65 HB THR 65 -3.353 -11.744 3.709 477 HG1 THR 65 1HG THR 65 -1.206 -12.118 3.257 478 HG21 THR 65 1HG2 THR 65 -4.680 -11.887 1.279 479 HG22 THR 65 2HG2 THR 65 -4.767 -13.066 2.588 480 HG23 THR 65 3HG2 THR 65 -3.620 -13.296 1.269 481 H VAL 66 H VAL 66 -4.370 -9.174 0.396 482 HA VAL 66 HA VAL 66 -6.336 -8.199 2.353 483 HB VAL 66 HB VAL 66 -5.795 -7.233 -0.458 484 HG11 VAL 66 1HG1 VAL 66 -7.568 -5.976 1.626 485 HG12 VAL 66 2HG1 VAL 66 -7.384 -5.505 -0.064 486 HG13 VAL 66 3HG1 VAL 66 -8.166 -7.032 0.347 487 HG21 VAL 66 1HG2 VAL 66 -5.020 -6.184 2.248 488 HG22 VAL 66 2HG2 VAL 66 -3.981 -6.538 0.868 489 HG23 VAL 66 3HG2 VAL 66 -5.069 -5.151 0.819 490 H THR 67 H THR 67 -8.262 -9.134 2.419 491 HA THR 67 HA THR 67 -9.312 -10.402 -0.021 492 HB THR 67 HB THR 67 -10.125 -12.295 1.180 493 HG1 THR 67 1HG THR 67 -9.881 -12.461 3.441 494 HG21 THR 67 1HG2 THR 67 -7.717 -12.322 0.545 495 HG22 THR 67 2HG2 THR 67 -8.092 -13.354 1.925 496 HG23 THR 67 3HG2 THR 67 -7.321 -11.788 2.178 497 H GLY 68 H GLY 68 -11.615 -10.523 -0.159 498 HA2 GLY 68 1HA GLY 68 -13.810 -10.001 0.543 499 HA3 GLY 68 2HA GLY 68 -13.138 -9.008 1.827 500 H LEU 69 H LEU 69 -11.633 -8.470 -1.152 501 HA LEU 69 HA LEU 69 -12.557 -5.793 -1.294 502 HB2 LEU 69 1HB LEU 69 -10.995 -7.505 -3.212 503 HB3 LEU 69 2HB LEU 69 -11.364 -5.809 -3.518 504 HG LEU 69 HG LEU 69 -9.823 -6.746 -1.106 505 HD11 LEU 69 1HD1 LEU 69 -8.704 -7.373 -3.250 506 HD12 LEU 69 2HD1 LEU 69 -7.796 -6.238 -2.252 507 HD13 LEU 69 3HD1 LEU 69 -8.674 -5.660 -3.668 508 HD21 LEU 69 1HD2 LEU 69 -9.033 -4.350 -1.221 509 HD22 LEU 69 2HD2 LEU 69 -10.719 -4.586 -0.759 510 HD23 LEU 69 3HD2 LEU 69 -10.316 -4.075 -2.400 511 H HIS 70 H HIS 70 -13.721 -4.789 -3.035 512 HA HIS 70 HA HIS 70 -15.968 -6.405 -3.901 513 HB2 HIS 70 1HB HIS 70 -15.352 -3.481 -3.823 514 HB3 HIS 70 2HB HIS 70 -16.601 -4.053 -4.924 515 HD1 HIS 70 1HD HIS 70 -18.486 -2.913 -3.604 516 HD2 HIS 70 2HD HIS 70 -16.301 -5.657 -1.378 517 HE1 HIS 70 1HE HIS 70 -19.809 -3.274 -1.496 518 HE2 HIS 70 2HE HIS 70 -18.425 -4.873 -0.128 519 H LYS 71 H LYS 71 -15.895 -7.499 -5.738 520 HA LYS 71 HA LYS 71 -13.926 -7.193 -7.714 521 HB2 LYS 71 1HB LYS 71 -15.151 -8.806 -8.987 522 HB3 LYS 71 2HB LYS 71 -15.287 -9.255 -7.292 523 HG2 LYS 71 1HG LYS 71 -17.519 -8.608 -7.173 524 HG3 LYS 71 2HG LYS 71 -17.407 -7.615 -8.627 525 HD2 LYS 71 1HD LYS 71 -16.967 -9.771 -9.891 526 HD3 LYS 71 2HD LYS 71 -17.457 -10.618 -8.422 527 HE2 LYS 71 1HE LYS 71 -19.296 -10.355 -10.057 528 HE3 LYS 71 2HE LYS 71 -19.636 -9.596 -8.502 529 HZ1 LYS 71 1HZ LYS 71 -18.385 -7.876 -10.467 530 HZ2 LYS 71 2HZ LYS 71 -19.667 -7.560 -9.411 531 HZ3 LYS 71 3HZ LYS 71 -19.950 -8.384 -10.861 532 H GLY 72 H GLY 72 -13.911 -6.213 -9.713 533 HA2 GLY 72 1HA GLY 72 -14.580 -4.815 -11.425 534 HA3 GLY 72 2HA GLY 72 -16.219 -4.905 -10.799 535 H THR 73 H THR 73 -13.449 -3.879 -8.906 536 HA THR 73 HA THR 73 -14.373 -1.095 -9.070 537 HB THR 73 HB THR 73 -13.803 -2.607 -6.515 538 HG1 THR 73 1HG THR 73 -15.961 -2.682 -7.606 539 HG21 THR 73 1HG2 THR 73 -14.080 0.327 -7.079 540 HG22 THR 73 2HG2 THR 73 -12.874 -0.507 -6.099 541 HG23 THR 73 3HG2 THR 73 -14.528 -0.339 -5.510 542 H THR 74 H THR 74 -12.792 0.459 -8.884 543 HA THR 74 HA THR 74 -10.068 -0.484 -9.246 544 HB THR 74 HB THR 74 -11.240 2.298 -9.418 545 HG1 THR 74 1HG THR 74 -10.622 0.276 -11.289 546 HG21 THR 74 1HG2 THR 74 -8.970 2.648 -10.660 547 HG22 THR 74 2HG2 THR 74 -8.442 1.275 -9.687 548 HG23 THR 74 3HG2 THR 74 -9.027 2.740 -8.901 549 H TYR 75 H TYR 75 -8.354 -0.046 -7.909 550 HA TYR 75 HA TYR 75 -8.934 1.346 -5.385 551 HB2 TYR 75 1HB TYR 75 -7.834 -1.402 -5.792 552 HB3 TYR 75 2HB TYR 75 -7.248 -0.452 -4.431 553 HD1 TYR 75 1HD TYR 75 -8.734 0.131 -2.587 554 HD2 TYR 75 2HD TYR 75 -10.114 -2.218 -5.855 555 HE1 TYR 75 1HE TYR 75 -10.708 -0.524 -1.275 556 HE2 TYR 75 2HE TYR 75 -12.093 -2.878 -4.552 557 HH TYR 75 HH TYR 75 -12.971 -1.343 -1.638 558 H ILE 76 H ILE 76 -7.128 2.313 -4.355 559 HA ILE 76 HA ILE 76 -4.787 2.661 -6.114 560 HB ILE 76 HB ILE 76 -5.805 4.772 -4.223 561 HG12 ILE 76 1HG1 ILE 76 -6.238 5.012 -7.161 562 HG13 ILE 76 2HG1 ILE 76 -7.335 3.974 -6.257 563 HG21 ILE 76 1HG2 ILE 76 -3.520 5.082 -4.810 564 HG22 ILE 76 2HG2 ILE 76 -3.851 4.767 -6.512 565 HG23 ILE 76 3HG2 ILE 76 -4.460 6.237 -5.753 566 HD11 ILE 76 1HD1 ILE 76 -6.786 6.847 -5.565 567 HD12 ILE 76 2HD1 ILE 76 -8.136 6.301 -6.561 568 HD13 ILE 76 3HD1 ILE 76 -8.021 5.793 -4.876 569 H PHE 77 H PHE 77 -3.173 1.551 -5.212 570 HA PHE 77 HA PHE 77 -2.909 1.485 -2.301 571 HB2 PHE 77 1HB PHE 77 -1.655 -0.116 -4.524 572 HB3 PHE 77 2HB PHE 77 -1.054 -0.192 -2.871 573 HD1 PHE 77 1HD PHE 77 -3.861 -0.983 -5.092 574 HD2 PHE 77 2HD PHE 77 -2.290 -1.312 -1.150 575 HE1 PHE 77 1HE PHE 77 -5.565 -2.675 -4.558 576 HE2 PHE 77 2HE PHE 77 -3.990 -3.006 -0.610 577 HZ PHE 77 HZ PHE 77 -5.630 -3.691 -2.315 578 H ARG 78 H ARG 78 -1.167 2.297 -1.205 579 HA ARG 78 HA ARG 78 1.016 3.519 -2.706 580 HB2 ARG 78 1HB ARG 78 -0.832 5.021 -0.853 581 HB3 ARG 78 2HB ARG 78 0.770 5.608 -1.281 582 HG2 ARG 78 1HG ARG 78 -0.134 5.223 -3.733 583 HG3 ARG 78 2HG ARG 78 -1.690 5.428 -2.927 584 HD2 ARG 78 1HD ARG 78 -0.628 7.529 -1.884 585 HD3 ARG 78 2HD ARG 78 0.589 7.364 -3.150 586 HE ARG 78 HE ARG 78 -0.927 8.200 -4.630 587 HH11 ARG 78 2HH1 ARG 78 -2.646 6.956 -1.870 588 HH12 ARG 78 1HH1 ARG 78 -4.192 7.512 -2.418 589 HH21 ARG 78 2HH2 ARG 78 -2.958 8.936 -5.363 590 HH22 ARG 78 1HH2 ARG 78 -4.369 8.637 -4.406 591 H LEU 79 H LEU 79 2.911 3.165 -1.743 592 HA LEU 79 HA LEU 79 2.921 2.533 1.134 593 HB2 LEU 79 1HB LEU 79 3.213 0.527 -0.291 594 HB3 LEU 79 2HB LEU 79 4.653 1.268 -0.986 595 HG LEU 79 HG LEU 79 5.596 1.292 1.376 596 HD11 LEU 79 1HD1 LEU 79 4.409 0.521 3.084 597 HD12 LEU 79 2HD1 LEU 79 4.037 -0.974 2.225 598 HD13 LEU 79 3HD1 LEU 79 3.014 0.446 2.007 599 HD21 LEU 79 1HD2 LEU 79 6.669 -0.642 0.922 600 HD22 LEU 79 2HD2 LEU 79 5.822 -0.494 -0.618 601 HD23 LEU 79 3HD2 LEU 79 5.174 -1.537 0.649 602 H ALA 80 H ALA 80 4.972 2.932 2.222 603 HA ALA 80 HA ALA 80 6.853 4.692 0.867 604 HB1 ALA 80 1HB ALA 80 6.433 6.050 3.247 605 HB2 ALA 80 2HB ALA 80 5.919 6.559 1.638 606 HB3 ALA 80 3HB ALA 80 4.810 5.661 2.675 607 H ALA 81 H ALA 81 8.884 4.700 1.776 608 HA ALA 81 HA ALA 81 9.389 2.600 3.719 609 HB1 ALA 81 1HB ALA 81 10.717 3.003 1.558 610 HB2 ALA 81 2HB ALA 81 11.498 4.310 2.448 611 HB3 ALA 81 3HB ALA 81 11.616 2.651 3.034 612 H LYS 82 H LYS 82 10.447 2.887 5.686 613 HA LYS 82 HA LYS 82 10.630 5.665 6.648 614 HB2 LYS 82 1HB LYS 82 8.655 4.167 7.485 615 HB3 LYS 82 2HB LYS 82 9.891 3.416 8.487 616 HG2 LYS 82 1HG LYS 82 10.431 5.847 9.203 617 HG3 LYS 82 2HG LYS 82 8.820 6.202 8.576 618 HD2 LYS 82 1HD LYS 82 9.316 3.989 10.549 619 HD3 LYS 82 2HD LYS 82 9.011 5.651 11.060 620 HE2 LYS 82 1HE LYS 82 6.915 5.535 9.619 621 HE3 LYS 82 2HE LYS 82 7.192 3.795 9.549 622 HZ1 LYS 82 1HZ LYS 82 6.954 5.306 12.089 623 HZ2 LYS 82 2HZ LYS 82 6.955 3.627 11.887 624 HZ3 LYS 82 3HZ LYS 82 5.646 4.544 11.335 625 H ASN 83 H ASN 83 12.597 6.192 7.315 626 HA ASN 83 HA ASN 83 14.394 4.039 8.224 627 HB2 ASN 83 1HB ASN 83 16.264 5.484 7.417 628 HB3 ASN 83 2HB ASN 83 15.196 4.934 6.129 629 HD21 ASN 83 1HD2 ASN 83 16.352 6.799 5.098 630 HD22 ASN 83 2HD2 ASN 83 15.611 8.354 5.238 631 H ARG 84 H ARG 84 16.357 5.198 9.453 632 HA ARG 84 HA ARG 84 15.532 5.870 11.957 633 HB2 ARG 84 1HB ARG 84 17.899 5.408 11.148 634 HB3 ARG 84 2HB ARG 84 17.981 7.108 10.708 635 HG2 ARG 84 1HG ARG 84 18.908 7.209 12.778 636 HG3 ARG 84 2HG ARG 84 17.212 7.429 13.213 637 HD2 ARG 84 1HD ARG 84 17.035 5.020 13.670 638 HD3 ARG 84 2HD ARG 84 18.742 4.831 13.272 639 HE ARG 84 HE ARG 84 18.328 6.771 15.321 640 HH11 ARG 84 2HH1 ARG 84 18.535 3.353 14.694 641 HH12 ARG 84 1HH1 ARG 84 19.040 2.956 16.303 642 HH21 ARG 84 2HH2 ARG 84 18.992 6.261 17.443 643 HH22 ARG 84 1HH2 ARG 84 19.299 4.611 17.866 644 H ALA 85 H ALA 85 15.789 7.983 9.180 645 HA ALA 85 HA ALA 85 15.375 10.398 10.694 646 HB1 ALA 85 1HB ALA 85 15.464 11.543 8.627 647 HB2 ALA 85 2HB ALA 85 16.649 10.240 8.518 648 HB3 ALA 85 3HB ALA 85 15.085 10.080 7.717 649 H GLY 86 H GLY 86 13.404 8.144 8.860 650 HA2 GLY 86 1HA GLY 86 11.052 8.153 9.901 651 HA3 GLY 86 2HA GLY 86 11.037 9.825 9.358 652 H LEU 87 H LEU 87 9.084 9.026 8.210 653 HA LEU 87 HA LEU 87 9.290 7.177 6.079 654 HB2 LEU 87 1HB LEU 87 7.315 9.433 6.371 655 HB3 LEU 87 2HB LEU 87 7.126 7.981 5.389 656 HG LEU 87 HG LEU 87 7.486 7.666 8.329 657 HD11 LEU 87 1HD1 LEU 87 5.777 9.058 8.734 658 HD12 LEU 87 2HD1 LEU 87 4.780 7.750 8.097 659 HD13 LEU 87 3HD1 LEU 87 5.263 9.082 7.047 660 HD21 LEU 87 1HD2 LEU 87 7.249 5.588 7.493 661 HD22 LEU 87 2HD2 LEU 87 6.430 6.150 6.035 662 HD23 LEU 87 3HD2 LEU 87 5.531 5.983 7.543 663 H GLY 88 H GLY 88 9.349 7.539 3.828 664 HA2 GLY 88 1HA GLY 88 10.484 10.160 3.065 665 HA3 GLY 88 2HA GLY 88 11.069 8.640 2.405 666 H GLU 89 H GLU 89 10.581 8.773 0.295 667 HA GLU 89 HA GLU 89 8.279 10.038 -0.747 668 HB2 GLU 89 1HB GLU 89 10.411 8.266 -1.849 669 HB3 GLU 89 2HB GLU 89 8.952 8.502 -2.801 670 HG2 GLU 89 1HG GLU 89 10.960 10.549 -1.930 671 HG3 GLU 89 2HG GLU 89 10.479 10.106 -3.567 672 H GLU 90 H GLU 90 6.618 8.925 -2.088 673 HA GLU 90 HA GLU 90 5.885 6.293 -1.001 674 HB2 GLU 90 1HB GLU 90 3.520 7.023 -0.936 675 HB3 GLU 90 2HB GLU 90 4.540 7.920 0.180 676 HG2 GLU 90 1HG GLU 90 4.337 9.871 -0.974 677 HG3 GLU 90 2HG GLU 90 4.101 9.060 -2.522 678 H PHE 91 H PHE 91 5.028 4.864 -2.432 679 HA PHE 91 HA PHE 91 5.107 5.646 -5.241 680 HB2 PHE 91 1HB PHE 91 6.307 3.600 -4.443 681 HB3 PHE 91 2HB PHE 91 4.743 2.888 -4.059 682 HD1 PHE 91 2HD PHE 91 3.150 2.361 -5.878 683 HD2 PHE 91 1HD PHE 91 7.125 3.665 -6.662 684 HE1 PHE 91 2HE PHE 91 2.967 1.523 -8.184 685 HE2 PHE 91 1HE PHE 91 6.948 2.831 -8.970 686 HZ PHE 91 HZ PHE 91 4.867 1.757 -9.733 687 H GLU 92 H GLU 92 3.413 4.946 -6.715 688 HA GLU 92 HA GLU 92 0.777 4.694 -5.432 689 HB2 GLU 92 1HB GLU 92 1.158 7.021 -6.207 690 HB3 GLU 92 2HB GLU 92 1.402 6.413 -7.838 691 HG2 GLU 92 1HG GLU 92 -1.127 5.771 -6.399 692 HG3 GLU 92 2HG GLU 92 -0.908 7.368 -7.112 693 H LYS 93 H LYS 93 -0.628 3.290 -6.362 694 HA LYS 93 HA LYS 93 -0.073 2.210 -9.007 695 HB2 LYS 93 1HB LYS 93 1.220 0.714 -7.643 696 HB3 LYS 93 2HB LYS 93 -0.101 0.531 -6.497 697 HG2 LYS 93 1HG LYS 93 0.201 -1.416 -7.990 698 HG3 LYS 93 2HG LYS 93 -1.403 -0.687 -8.097 699 HD2 LYS 93 1HD LYS 93 -0.966 0.255 -10.187 700 HD3 LYS 93 2HD LYS 93 0.782 0.108 -9.991 701 HE2 LYS 93 1HE LYS 93 0.228 -2.459 -9.894 702 HE3 LYS 93 2HE LYS 93 -1.232 -1.959 -10.745 703 HZ1 LYS 93 1HZ LYS 93 1.453 -2.179 -11.714 704 HZ2 LYS 93 2HZ LYS 93 0.767 -0.674 -12.069 705 HZ3 LYS 93 3HZ LYS 93 -0.001 -2.093 -12.576 706 H GLU 94 H GLU 94 -1.908 1.922 -10.098 707 HA GLU 94 HA GLU 94 -4.418 1.772 -8.562 708 HB2 GLU 94 1HB GLU 94 -3.892 3.808 -10.094 709 HB3 GLU 94 2HB GLU 94 -4.273 2.707 -11.410 710 HG2 GLU 94 1HG GLU 94 -6.453 2.271 -10.085 711 HG3 GLU 94 2HG GLU 94 -6.058 3.786 -9.275 712 H ILE 95 H ILE 95 -5.447 -0.100 -8.674 713 HA ILE 95 HA ILE 95 -5.117 -1.748 -11.095 714 HB ILE 95 HB ILE 95 -5.176 -3.751 -9.788 715 HG12 ILE 95 1HG1 ILE 95 -6.736 -2.610 -8.037 716 HG13 ILE 95 2HG1 ILE 95 -5.649 -3.893 -7.514 717 HG21 ILE 95 1HG2 ILE 95 -3.183 -1.682 -9.268 718 HG22 ILE 95 2HG2 ILE 95 -3.230 -2.945 -8.039 719 HG23 ILE 95 3HG2 ILE 95 -2.972 -3.371 -9.731 720 HD11 ILE 95 1HD1 ILE 95 -4.461 -2.518 -6.207 721 HD12 ILE 95 2HD1 ILE 95 -4.535 -1.186 -7.361 722 HD13 ILE 95 3HD1 ILE 95 -5.900 -1.503 -6.291 723 H ARG 96 H ARG 96 -6.917 -3.669 -10.771 724 HA ARG 96 HA ARG 96 -9.455 -2.646 -9.862 725 HB2 ARG 96 1HB ARG 96 -9.179 -1.582 -12.096 726 HB3 ARG 96 2HB ARG 96 -9.064 -3.185 -12.810 727 HG2 ARG 96 1HG ARG 96 -11.313 -3.691 -12.248 728 HG3 ARG 96 2HG ARG 96 -11.447 -2.252 -11.234 729 HD2 ARG 96 1HD ARG 96 -11.276 -0.820 -13.163 730 HD3 ARG 96 2HD ARG 96 -10.959 -2.204 -14.209 731 HE ARG 96 HE ARG 96 -13.461 -2.379 -12.813 732 HH11 ARG 96 2HH1 ARG 96 -11.844 -1.106 -15.621 733 HH12 ARG 96 1HH1 ARG 96 -13.290 -1.008 -16.570 734 HH21 ARG 96 2HH2 ARG 96 -15.372 -2.254 -14.052 735 HH22 ARG 96 1HH2 ARG 96 -15.296 -1.660 -15.676 736 H THR 97 H THR 97 -10.361 -4.334 -8.909 737 HA THR 97 HA THR 97 -9.529 -6.999 -9.288 738 HB THR 97 HB THR 97 -11.560 -7.596 -7.939 739 HG1 THR 97 1HG THR 97 -11.949 -4.769 -7.967 740 HG21 THR 97 1HG2 THR 97 -10.065 -7.296 -6.308 741 HG22 THR 97 2HG2 THR 97 -10.699 -5.661 -6.122 742 HG23 THR 97 3HG2 THR 97 -9.310 -5.955 -7.167 743 HA PRO 98 HA PRO 98 -11.852 -8.271 -12.806 744 HB2 PRO 98 1HB PRO 98 -11.939 -10.941 -12.324 745 HB3 PRO 98 2HB PRO 98 -10.476 -10.110 -12.863 746 HG2 PRO 98 1HG PRO 98 -11.268 -10.952 -10.102 747 HG3 PRO 98 2HG PRO 98 -9.691 -11.082 -10.902 748 HD2 PRO 98 1HD PRO 98 -10.266 -9.122 -9.124 749 HD3 PRO 98 2HD PRO 98 -9.160 -8.877 -10.491 750 H GLU 99 H GLU 99 -13.957 -7.813 -12.969 751 HA GLU 99 HA GLU 99 -15.840 -8.447 -10.905 752 HB2 GLU 99 1HB GLU 99 -17.509 -7.547 -12.587 753 HB3 GLU 99 2HB GLU 99 -16.244 -6.435 -12.085 754 HG2 GLU 99 1HG GLU 99 -15.222 -6.448 -14.124 755 HG3 GLU 99 2HG GLU 99 -15.795 -8.067 -14.525 756 H ASP 100 H ASP 100 -18.065 -9.372 -11.810 757 HA ASP 100 HA ASP 100 -17.677 -11.623 -13.602 758 HB2 ASP 100 1HB ASP 100 -18.144 -11.911 -10.655 759 HB3 ASP 100 2HB ASP 100 -18.817 -13.102 -11.765 760 H LEU 101 H LEU 101 -19.699 -12.688 -14.165 761 HA LEU 101 HA LEU 101 -21.757 -10.893 -14.731 762 HB2 LEU 101 1HB LEU 101 -21.383 -12.949 -15.986 763 HB3 LEU 101 2HB LEU 101 -21.858 -13.903 -14.582 764 HG LEU 101 HG LEU 101 -24.111 -12.577 -14.839 765 HD11 LEU 101 1HD1 LEU 101 -24.555 -12.327 -17.337 766 HD12 LEU 101 2HD1 LEU 101 -22.802 -12.302 -17.525 767 HD13 LEU 101 3HD1 LEU 101 -23.602 -11.066 -16.554 768 HD21 LEU 101 1HD2 LEU 101 -23.122 -14.961 -16.347 769 HD22 LEU 101 2HD2 LEU 101 -24.767 -14.375 -16.597 770 HD23 LEU 101 3HD2 LEU 101 -24.245 -14.878 -14.989 771 H SER 102 H SER 102 -23.025 -9.906 -13.312 772 HA SER 102 HA SER 102 -23.434 -10.359 -10.691 773 HB2 SER 102 1HB SER 102 -25.428 -9.068 -10.811 774 HB3 SER 102 2HB SER 102 -24.401 -8.485 -12.121 775 HG SER 102 HG SER 102 -25.810 -10.451 -13.125 776 H GLY 103 H GLY 103 -24.078 -12.042 -9.531 777 HA2 GLY 103 1HA GLY 103 -26.214 -13.392 -9.165 778 HA3 GLY 103 2HA GLY 103 -25.900 -13.992 -10.787 779 HA PRO 104 HA PRO 104 -23.627 -16.430 -7.355 780 HB2 PRO 104 1HB PRO 104 -25.340 -18.520 -7.089 781 HB3 PRO 104 2HB PRO 104 -25.439 -17.063 -6.093 782 HG2 PRO 104 1HG PRO 104 -27.030 -17.814 -8.515 783 HG3 PRO 104 2HG PRO 104 -27.582 -17.084 -6.996 784 HD2 PRO 104 1HD PRO 104 -27.175 -15.633 -9.245 785 HD3 PRO 104 2HD PRO 104 -26.908 -14.970 -7.620 786 H SER 105 H SER 105 -22.069 -17.639 -8.219 787 HA SER 105 HA SER 105 -22.747 -19.569 -10.320 788 HB2 SER 105 1HB SER 105 -21.827 -17.399 -11.293 789 HB3 SER 105 2HB SER 105 -20.300 -17.809 -10.512 790 HG SER 105 HG SER 105 -21.449 -19.824 -12.017 791 H SER 106 H SER 106 -21.281 -21.325 -10.516 792 HA SER 106 HA SER 106 -19.327 -21.598 -8.340 793 HB2 SER 106 1HB SER 106 -20.089 -23.939 -7.982 794 HB3 SER 106 2HB SER 106 -21.328 -22.750 -7.579 795 HG SER 106 HG SER 106 -22.305 -24.314 -8.802 796 H GLY 107 H GLY 107 -17.404 -22.029 -9.179 797 HA2 GLY 107 1HA GLY 107 -15.767 -22.795 -10.595 798 HA3 GLY 107 2HA GLY 107 -16.825 -24.172 -10.865 Start of MODEL 18 1 H1 GLY 1 H GLY 1 18.027 23.267 17.553 2 HA2 GLY 1 1HA GLY 1 16.921 23.641 15.568 3 HA3 GLY 1 2HA GLY 1 18.278 24.707 15.238 4 H SER 2 H SER 2 16.540 22.313 13.936 5 HA SER 2 HA SER 2 18.837 21.281 12.404 6 HB2 SER 2 1HB SER 2 16.518 19.849 13.610 7 HB3 SER 2 2HB SER 2 17.107 19.283 12.048 8 HG SER 2 HG SER 2 19.126 18.955 12.958 9 H SER 3 H SER 3 18.794 22.142 10.442 10 HA SER 3 HA SER 3 16.183 22.581 9.151 11 HB2 SER 3 1HB SER 3 17.383 24.265 7.744 12 HB3 SER 3 2HB SER 3 17.366 24.670 9.461 13 HG SER 3 HG SER 3 19.444 24.866 9.125 14 H GLY 4 H GLY 4 15.941 22.054 6.943 15 HA2 GLY 4 1HA GLY 4 16.280 20.827 5.028 16 HA3 GLY 4 2HA GLY 4 17.999 20.864 5.392 17 H SER 5 H SER 5 15.003 19.115 5.831 18 HA SER 5 HA SER 5 16.559 16.796 6.775 19 HB2 SER 5 1HB SER 5 14.496 16.007 7.877 20 HB3 SER 5 2HB SER 5 14.993 17.586 8.485 21 HG SER 5 HG SER 5 12.915 16.999 6.651 22 H SER 6 H SER 6 16.604 15.078 5.486 23 HA SER 6 HA SER 6 14.613 14.914 3.319 24 HB2 SER 6 1HB SER 6 17.023 15.330 2.652 25 HB3 SER 6 2HB SER 6 17.390 13.720 3.271 26 HG SER 6 HG SER 6 16.963 13.407 1.157 27 H GLY 7 H GLY 7 14.306 12.629 2.489 28 HA2 GLY 7 1HA GLY 7 14.536 10.634 4.638 29 HA3 GLY 7 2HA GLY 7 12.956 10.964 3.942 30 HA PRO 8 HA PRO 8 15.083 7.516 1.592 31 HB2 PRO 8 1HB PRO 8 13.112 5.683 1.946 32 HB3 PRO 8 2HB PRO 8 14.446 5.891 3.087 33 HG2 PRO 8 1HG PRO 8 11.646 6.940 3.233 34 HG3 PRO 8 2HG PRO 8 12.638 6.216 4.513 35 HD2 PRO 8 1HD PRO 8 12.301 8.892 4.269 36 HD3 PRO 8 2HD PRO 8 13.798 8.171 4.892 37 H GLY 9 H GLY 9 14.323 6.494 -0.387 38 HA2 GLY 9 1HA GLY 9 12.636 8.254 -1.900 39 HA3 GLY 9 2HA GLY 9 13.420 6.796 -2.491 40 H ARG 10 H ARG 10 11.569 6.148 -3.621 41 HA ARG 10 HA ARG 10 9.236 5.449 -1.977 42 HB2 ARG 10 1HB ARG 10 8.117 5.148 -4.242 43 HB3 ARG 10 2HB ARG 10 8.550 6.793 -3.795 44 HG2 ARG 10 1HG ARG 10 10.539 6.660 -5.199 45 HG3 ARG 10 2HG ARG 10 10.120 5.003 -5.638 46 HD2 ARG 10 1HD ARG 10 9.426 6.503 -7.397 47 HD3 ARG 10 2HD ARG 10 8.004 5.828 -6.602 48 HE ARG 10 HE ARG 10 8.722 8.308 -5.436 49 HH11 ARG 10 2HH1 ARG 10 7.244 6.925 -8.269 50 HH12 ARG 10 1HH1 ARG 10 6.269 8.318 -8.600 51 HH21 ARG 10 2HH2 ARG 10 7.443 10.148 -5.862 52 HH22 ARG 10 1HH2 ARG 10 6.384 10.151 -7.231 53 HA PRO 11 HA PRO 11 10.575 1.222 -2.231 54 HB2 PRO 11 1HB PRO 11 8.373 0.137 -1.071 55 HB3 PRO 11 2HB PRO 11 9.633 0.968 -0.151 56 HG2 PRO 11 1HG PRO 11 6.980 1.995 -1.083 57 HG3 PRO 11 2HG PRO 11 7.777 2.216 0.486 58 HD2 PRO 11 1HD PRO 11 7.790 4.122 -1.437 59 HD3 PRO 11 2HD PRO 11 9.137 3.902 -0.302 60 H THR 12 H THR 12 10.060 -0.658 -3.394 61 HA THR 12 HA THR 12 8.294 -0.204 -5.658 62 HB THR 12 HB THR 12 10.253 -2.423 -5.052 63 HG1 THR 12 1HG THR 12 10.966 -0.228 -5.740 64 HG21 THR 12 1HG2 THR 12 8.021 -2.436 -6.834 65 HG22 THR 12 2HG2 THR 12 9.245 -3.681 -6.587 66 HG23 THR 12 3HG2 THR 12 9.508 -2.411 -7.781 67 H MET 13 H MET 13 6.217 -0.716 -5.457 68 HA MET 13 HA MET 13 5.455 -2.959 -3.728 69 HB2 MET 13 1HB MET 13 4.407 -0.677 -3.430 70 HB3 MET 13 2HB MET 13 3.628 -0.914 -4.989 71 HG2 MET 13 1HG MET 13 2.234 -2.563 -4.197 72 HG3 MET 13 2HG MET 13 3.304 -2.970 -2.858 73 HE1 MET 13 1HE MET 13 0.771 -0.312 -4.274 74 HE2 MET 13 2HE MET 13 0.758 0.878 -2.972 75 HE3 MET 13 3HE MET 13 2.216 0.643 -3.937 76 H MET 14 H MET 14 4.318 -4.707 -4.474 77 HA MET 14 HA MET 14 3.712 -4.804 -7.348 78 HB2 MET 14 1HB MET 14 5.082 -6.996 -5.779 79 HB3 MET 14 2HB MET 14 4.591 -7.092 -7.465 80 HG2 MET 14 1HG MET 14 6.114 -5.095 -7.856 81 HG3 MET 14 2HG MET 14 6.758 -5.418 -6.248 82 HE1 MET 14 1HE MET 14 9.291 -5.827 -7.201 83 HE2 MET 14 2HE MET 14 8.668 -6.755 -5.836 84 HE3 MET 14 3HE MET 14 9.606 -7.560 -7.096 85 H ILE 15 H ILE 15 1.556 -4.932 -7.373 86 HA ILE 15 HA ILE 15 0.203 -6.644 -5.412 87 HB ILE 15 HB ILE 15 -0.996 -4.632 -7.319 88 HG12 ILE 15 1HG1 ILE 15 -0.894 -4.269 -4.353 89 HG13 ILE 15 2HG1 ILE 15 0.545 -3.907 -5.300 90 HG21 ILE 15 1HG2 ILE 15 -3.017 -5.326 -6.687 91 HG22 ILE 15 2HG2 ILE 15 -2.214 -6.749 -6.026 92 HG23 ILE 15 3HG2 ILE 15 -2.554 -5.366 -4.986 93 HD11 ILE 15 1HD1 ILE 15 -1.496 -2.636 -6.664 94 HD12 ILE 15 2HD1 ILE 15 -1.879 -2.380 -4.962 95 HD13 ILE 15 3HD1 ILE 15 -0.309 -1.887 -5.596 96 H SER 16 H SER 16 -0.753 -8.501 -5.972 97 HA SER 16 HA SER 16 -1.253 -9.042 -8.814 98 HB2 SER 16 1HB SER 16 0.939 -10.077 -7.756 99 HB3 SER 16 2HB SER 16 -0.198 -11.256 -7.102 100 HG SER 16 HG SER 16 -0.168 -12.148 -8.991 101 H THR 17 H THR 17 -3.187 -9.920 -9.201 102 HA THR 17 HA THR 17 -4.918 -10.510 -6.946 103 HB THR 17 HB THR 17 -6.738 -10.513 -8.497 104 HG1 THR 17 1HG THR 17 -6.391 -10.506 -10.736 105 HG21 THR 17 1HG2 THR 17 -6.461 -8.288 -8.253 106 HG22 THR 17 2HG2 THR 17 -5.920 -8.352 -9.930 107 HG23 THR 17 3HG2 THR 17 -4.739 -8.361 -8.621 108 H THR 18 H THR 18 -4.710 -12.487 -6.098 109 HA THR 18 HA THR 18 -4.306 -14.778 -7.884 110 HB THR 18 HB THR 18 -3.627 -16.041 -5.956 111 HG1 THR 18 1HG THR 18 -3.566 -14.712 -3.884 112 HG21 THR 18 1HG2 THR 18 -1.767 -14.874 -6.691 113 HG22 THR 18 2HG2 THR 18 -1.842 -14.394 -4.996 114 HG23 THR 18 3HG2 THR 18 -2.446 -13.308 -6.248 115 H ALA 19 H ALA 19 -6.101 -14.231 -4.848 116 HA ALA 19 HA ALA 19 -8.117 -16.146 -5.702 117 HB1 ALA 19 1HB ALA 19 -8.781 -14.907 -3.221 118 HB2 ALA 19 2HB ALA 19 -8.282 -16.570 -3.532 119 HB3 ALA 19 3HB ALA 19 -7.069 -15.331 -3.212 120 H MET 20 H MET 20 -10.444 -15.586 -5.334 121 HA MET 20 HA MET 20 -11.105 -13.256 -6.835 122 HB2 MET 20 1HB MET 20 -12.856 -15.193 -5.312 123 HB3 MET 20 2HB MET 20 -13.458 -13.936 -6.385 124 HG2 MET 20 1HG MET 20 -12.404 -14.970 -8.277 125 HG3 MET 20 2HG MET 20 -11.622 -16.159 -7.238 126 HE1 MET 20 1HE MET 20 -14.783 -16.741 -9.772 127 HE2 MET 20 2HE MET 20 -13.039 -16.477 -9.750 128 HE3 MET 20 3HE MET 20 -13.692 -18.084 -9.429 129 H ASN 21 H ASN 21 -11.450 -11.256 -6.136 130 HA ASN 21 HA ASN 21 -11.969 -9.487 -4.796 131 HB2 ASN 21 1HB ASN 21 -12.970 -11.404 -2.698 132 HB3 ASN 21 2HB ASN 21 -13.487 -9.748 -3.003 133 HD21 ASN 21 1HD2 ASN 21 -14.818 -9.319 -4.792 134 HD22 ASN 21 2HD2 ASN 21 -15.752 -10.567 -5.536 135 H THR 22 H THR 22 -9.442 -11.017 -4.637 136 HA THR 22 HA THR 22 -8.500 -9.878 -2.106 137 HB THR 22 HB THR 22 -7.324 -11.786 -1.418 138 HG1 THR 22 1HG THR 22 -6.388 -12.578 -3.234 139 HG21 THR 22 1HG2 THR 22 -8.983 -13.534 -1.225 140 HG22 THR 22 2HG2 THR 22 -9.877 -12.885 -2.600 141 HG23 THR 22 3HG2 THR 22 -9.779 -11.967 -1.098 142 H ALA 23 H ALA 23 -6.628 -8.798 -2.292 143 HA ALA 23 HA ALA 23 -5.083 -9.147 -4.779 144 HB1 ALA 23 1HB ALA 23 -6.141 -7.036 -4.931 145 HB2 ALA 23 2HB ALA 23 -5.728 -6.629 -3.265 146 HB3 ALA 23 3HB ALA 23 -4.463 -6.719 -4.490 147 H LEU 24 H LEU 24 -3.158 -10.009 -4.405 148 HA LEU 24 HA LEU 24 -1.995 -10.037 -1.779 149 HB2 LEU 24 1HB LEU 24 -1.760 -11.976 -3.174 150 HB3 LEU 24 2HB LEU 24 -1.007 -11.020 -4.450 151 HG LEU 24 HG LEU 24 0.945 -10.654 -2.991 152 HD11 LEU 24 1HD1 LEU 24 0.485 -10.828 -0.797 153 HD12 LEU 24 2HD1 LEU 24 0.872 -12.530 -1.051 154 HD13 LEU 24 3HD1 LEU 24 -0.810 -11.999 -1.051 155 HD21 LEU 24 1HD2 LEU 24 1.798 -12.445 -3.981 156 HD22 LEU 24 2HD2 LEU 24 0.166 -13.032 -4.297 157 HD23 LEU 24 3HD2 LEU 24 1.000 -13.501 -2.815 158 H LEU 25 H LEU 25 -0.602 -8.628 -0.949 159 HA LEU 25 HA LEU 25 0.593 -6.630 -2.741 160 HB2 LEU 25 1HB LEU 25 0.357 -6.492 0.256 161 HB3 LEU 25 2HB LEU 25 0.772 -5.184 -0.851 162 HG LEU 25 HG LEU 25 -1.913 -6.516 -0.973 163 HD11 LEU 25 1HD1 LEU 25 -2.480 -4.307 0.408 164 HD12 LEU 25 2HD1 LEU 25 -0.883 -4.645 1.073 165 HD13 LEU 25 3HD1 LEU 25 -2.157 -5.860 1.180 166 HD21 LEU 25 1HD2 LEU 25 -2.184 -3.855 -1.532 167 HD22 LEU 25 2HD2 LEU 25 -1.982 -5.132 -2.731 168 HD23 LEU 25 3HD2 LEU 25 -0.583 -4.210 -2.180 169 H GLN 26 H GLN 26 2.706 -6.673 -3.120 170 HA GLN 26 HA GLN 26 4.511 -7.817 -1.124 171 HB2 GLN 26 1HB GLN 26 4.505 -8.626 -4.037 172 HB3 GLN 26 2HB GLN 26 5.700 -9.116 -2.844 173 HG2 GLN 26 1HG GLN 26 4.005 -10.313 -1.596 174 HG3 GLN 26 2HG GLN 26 2.766 -9.775 -2.729 175 HE21 GLN 26 1HE2 GLN 26 3.646 -12.476 -1.990 176 HE22 GLN 26 2HE2 GLN 26 4.099 -13.242 -3.471 177 H TRP 27 H TRP 27 5.985 -6.323 -0.708 178 HA TRP 27 HA TRP 27 7.030 -4.715 -2.942 179 HB2 TRP 27 1HB TRP 27 7.228 -2.799 -1.372 180 HB3 TRP 27 2HB TRP 27 5.558 -3.289 -1.647 181 HD1 TRP 27 HD TRP 27 8.299 -3.440 1.051 182 HE1 TRP 27 1HE TRP 27 7.167 -3.789 3.336 183 HE3 TRP 27 3HE TRP 27 3.486 -4.130 -0.527 184 HZ2 TRP 27 2HZ TRP 27 4.576 -4.290 4.336 185 HZ3 TRP 27 3HZ TRP 27 1.740 -4.539 1.158 186 HH2 TRP 27 HH TRP 27 2.275 -4.618 3.538 187 H HIS 28 H HIS 28 9.115 -3.514 -2.117 188 HA HIS 28 HA HIS 28 10.705 -5.260 -0.388 189 HB2 HIS 28 1HB HIS 28 11.240 -4.660 -3.275 190 HB3 HIS 28 2HB HIS 28 12.591 -4.913 -2.175 191 HD1 HIS 28 1HD HIS 28 12.932 -7.301 -1.245 192 HD2 HIS 28 2HD HIS 28 9.754 -6.946 -3.896 193 HE1 HIS 28 1HE HIS 28 12.289 -9.658 -1.842 194 HE2 HIS 28 2HE HIS 28 10.420 -9.416 -3.513 195 HA PRO 29 HA PRO 29 12.442 -1.544 1.167 196 HB2 PRO 29 1HB PRO 29 14.999 -2.288 1.695 197 HB3 PRO 29 2HB PRO 29 13.621 -2.838 2.655 198 HG2 PRO 29 1HG PRO 29 15.089 -4.254 0.464 199 HG3 PRO 29 2HG PRO 29 14.515 -4.888 2.018 200 HD2 PRO 29 1HD PRO 29 13.183 -5.297 -0.304 201 HD3 PRO 29 2HD PRO 29 12.354 -5.143 1.258 202 HA PRO 30 HA PRO 30 14.280 0.510 -2.310 203 HB2 PRO 30 1HB PRO 30 14.741 2.892 -1.093 204 HB3 PRO 30 2HB PRO 30 13.133 2.373 -1.609 205 HG2 PRO 30 1HG PRO 30 14.372 2.273 1.114 206 HG3 PRO 30 2HG PRO 30 12.730 2.755 0.649 207 HD2 PRO 30 1HD PRO 30 13.298 0.310 1.664 208 HD3 PRO 30 2HD PRO 30 12.002 0.575 0.480 209 H LYS 31 H LYS 31 16.286 1.844 -2.746 210 HA LYS 31 HA LYS 31 18.525 0.791 -1.146 211 HB2 LYS 31 1HB LYS 31 18.417 -0.038 -3.479 212 HB3 LYS 31 2HB LYS 31 18.525 1.620 -4.055 213 HG2 LYS 31 1HG LYS 31 20.727 1.783 -2.858 214 HG3 LYS 31 2HG LYS 31 20.620 0.042 -2.587 215 HD2 LYS 31 1HD LYS 31 20.701 -0.419 -4.905 216 HD3 LYS 31 2HD LYS 31 20.411 1.271 -5.326 217 HE2 LYS 31 1HE LYS 31 22.687 1.050 -5.684 218 HE3 LYS 31 2HE LYS 31 22.623 1.710 -4.051 219 HZ1 LYS 31 1HZ LYS 31 22.607 -1.193 -4.288 220 HZ2 LYS 31 2HZ LYS 31 23.375 -0.203 -3.151 221 HZ3 LYS 31 3HZ LYS 31 24.057 -0.416 -4.685 222 H GLU 32 H GLU 32 17.009 3.620 -2.436 223 HA GLU 32 HA GLU 32 19.276 5.342 -1.901 224 HB2 GLU 32 1HB GLU 32 16.447 5.947 -2.774 225 HB3 GLU 32 2HB GLU 32 17.698 7.164 -2.566 226 HG2 GLU 32 1HG GLU 32 19.050 5.753 -4.238 227 HG3 GLU 32 2HG GLU 32 17.502 5.002 -4.622 228 H LEU 33 H LEU 33 17.861 3.778 0.252 229 HA LEU 33 HA LEU 33 16.712 5.869 1.912 230 HB2 LEU 33 1HB LEU 33 15.639 3.704 1.914 231 HB3 LEU 33 2HB LEU 33 17.146 2.926 2.393 232 HG LEU 33 HG LEU 33 15.977 4.991 4.194 233 HD11 LEU 33 1HD1 LEU 33 14.219 3.786 4.887 234 HD12 LEU 33 2HD1 LEU 33 15.066 2.251 4.699 235 HD13 LEU 33 3HD1 LEU 33 14.328 3.027 3.298 236 HD21 LEU 33 1HD2 LEU 33 17.825 4.268 5.242 237 HD22 LEU 33 2HD2 LEU 33 17.899 2.776 4.305 238 HD23 LEU 33 3HD2 LEU 33 16.821 2.892 5.696 239 HA PRO 34 HA PRO 34 20.840 6.628 3.529 240 HB2 PRO 34 1HB PRO 34 20.132 8.851 4.917 241 HB3 PRO 34 2HB PRO 34 20.433 8.862 3.176 242 HG2 PRO 34 1HG PRO 34 17.828 8.754 4.647 243 HG3 PRO 34 2HG PRO 34 18.267 9.708 3.218 244 HD2 PRO 34 1HD PRO 34 16.844 7.410 3.055 245 HD3 PRO 34 2HD PRO 34 17.970 7.929 1.783 246 H GLY 35 H GLY 35 20.999 4.858 4.928 247 HA2 GLY 35 1HA GLY 35 21.446 4.817 7.422 248 HA3 GLY 35 2HA GLY 35 19.739 5.208 7.576 249 H GLU 36 H GLU 36 18.354 3.573 7.790 250 HA GLU 36 HA GLU 36 18.820 1.016 6.550 251 HB2 GLU 36 1HB GLU 36 19.011 -0.313 8.507 252 HB3 GLU 36 2HB GLU 36 20.193 0.977 8.672 253 HG2 GLU 36 1HG GLU 36 17.476 1.269 9.874 254 HG3 GLU 36 2HG GLU 36 18.717 0.321 10.691 255 H LEU 37 H LEU 37 16.992 -0.368 6.633 256 HA LEU 37 HA LEU 37 14.508 1.029 6.742 257 HB2 LEU 37 1HB LEU 37 14.985 -0.776 5.136 258 HB3 LEU 37 2HB LEU 37 15.037 -1.927 6.469 259 HG LEU 37 HG LEU 37 12.586 -1.043 6.881 260 HD11 LEU 37 1HD1 LEU 37 12.978 0.609 4.927 261 HD12 LEU 37 2HD1 LEU 37 11.440 -0.246 5.037 262 HD13 LEU 37 3HD1 LEU 37 12.674 -0.794 3.903 263 HD21 LEU 37 1HD2 LEU 37 11.847 -3.011 5.977 264 HD22 LEU 37 2HD2 LEU 37 13.575 -3.345 6.079 265 HD23 LEU 37 3HD2 LEU 37 12.859 -2.862 4.541 266 H LEU 38 H LEU 38 13.154 1.266 8.394 267 HA LEU 38 HA LEU 38 13.475 -0.505 10.728 268 HB2 LEU 38 1HB LEU 38 12.674 2.401 10.706 269 HB3 LEU 38 2HB LEU 38 12.784 1.374 12.134 270 HG LEU 38 HG LEU 38 15.185 1.876 10.408 271 HD11 LEU 38 1HD1 LEU 38 13.899 3.709 12.371 272 HD12 LEU 38 2HD1 LEU 38 14.740 4.076 10.866 273 HD13 LEU 38 3HD1 LEU 38 15.659 3.624 12.301 274 HD21 LEU 38 1HD2 LEU 38 16.016 1.707 12.973 275 HD22 LEU 38 2HD2 LEU 38 15.891 0.328 11.881 276 HD23 LEU 38 3HD2 LEU 38 14.591 0.669 13.024 277 H GLY 39 H GLY 39 11.351 0.862 8.401 278 HA2 GLY 39 1HA GLY 39 9.273 -0.893 8.766 279 HA3 GLY 39 2HA GLY 39 8.910 0.449 9.842 280 H TYR 40 H TYR 40 7.060 0.067 8.045 281 HA TYR 40 HA TYR 40 7.232 2.410 6.376 282 HB2 TYR 40 1HB TYR 40 6.354 0.761 4.424 283 HB3 TYR 40 2HB TYR 40 8.037 1.243 4.605 284 HD1 TYR 40 1HD TYR 40 6.048 -1.217 6.576 285 HD2 TYR 40 2HD TYR 40 9.277 -0.588 3.877 286 HE1 TYR 40 1HE TYR 40 6.693 -3.579 6.807 287 HE2 TYR 40 2HE TYR 40 9.930 -2.949 4.100 288 HH TYR 40 HH TYR 40 8.466 -5.206 4.799 289 H ARG 41 H ARG 41 5.202 3.104 5.594 290 HA ARG 41 HA ARG 41 2.935 1.838 6.971 291 HB2 ARG 41 1HB ARG 41 3.178 4.087 7.691 292 HB3 ARG 41 2HB ARG 41 3.424 4.664 6.048 293 HG2 ARG 41 1HG ARG 41 1.024 3.821 5.630 294 HG3 ARG 41 2HG ARG 41 0.888 3.823 7.389 295 HD2 ARG 41 1HD ARG 41 1.938 6.238 5.981 296 HD3 ARG 41 2HD ARG 41 0.202 5.932 6.008 297 HE ARG 41 HE ARG 41 0.890 5.702 8.605 298 HH11 ARG 41 2HH1 ARG 41 1.495 8.144 6.199 299 HH12 ARG 41 1HH1 ARG 41 1.540 9.445 7.343 300 HH21 ARG 41 2HH2 ARG 41 0.946 7.406 10.120 301 HH22 ARG 41 1HH2 ARG 41 1.228 9.024 9.573 302 H LEU 42 H LEU 42 0.949 1.555 5.886 303 HA LEU 42 HA LEU 42 1.157 1.577 2.946 304 HB2 LEU 42 1HB LEU 42 1.123 -0.672 4.267 305 HB3 LEU 42 2HB LEU 42 -0.602 -0.342 4.412 306 HG LEU 42 HG LEU 42 0.984 -0.856 1.908 307 HD11 LEU 42 1HD1 LEU 42 -0.738 -2.621 1.622 308 HD12 LEU 42 2HD1 LEU 42 -1.359 -2.220 3.223 309 HD13 LEU 42 3HD1 LEU 42 0.280 -2.847 3.045 310 HD21 LEU 42 1HD2 LEU 42 -1.618 0.528 2.283 311 HD22 LEU 42 2HD2 LEU 42 -1.462 -0.600 0.937 312 HD23 LEU 42 3HD2 LEU 42 -0.367 0.777 1.065 313 H GLN 43 H GLN 43 -0.331 2.728 1.906 314 HA GLN 43 HA GLN 43 -2.874 3.309 3.264 315 HB2 GLN 43 1HB GLN 43 -1.715 5.397 1.494 316 HB3 GLN 43 2HB GLN 43 -2.732 5.569 2.918 317 HG2 GLN 43 1HG GLN 43 -0.774 4.939 4.314 318 HG3 GLN 43 2HG GLN 43 0.213 4.967 2.854 319 HE21 GLN 43 1HE2 GLN 43 -2.388 7.113 3.921 320 HE22 GLN 43 2HE2 GLN 43 -1.434 8.554 3.930 321 H TYR 44 H TYR 44 -4.442 2.419 2.108 322 HA TYR 44 HA TYR 44 -4.610 2.945 -0.740 323 HB2 TYR 44 1HB TYR 44 -4.697 0.701 -1.469 324 HB3 TYR 44 2HB TYR 44 -3.297 0.778 -0.405 325 HD1 TYR 44 2HD TYR 44 -3.423 -0.199 1.872 326 HD2 TYR 44 1HD TYR 44 -6.585 -0.660 -0.937 327 HE1 TYR 44 2HE TYR 44 -4.335 -2.049 3.211 328 HE2 TYR 44 1HE TYR 44 -7.507 -2.511 0.395 329 HH TYR 44 HH TYR 44 -7.442 -3.329 2.702 330 H CYS 45 H CYS 45 -6.680 3.068 -1.456 331 HA CYS 45 HA CYS 45 -8.856 1.897 0.045 332 HB2 CYS 45 1HB CYS 45 -8.238 4.173 1.104 333 HB3 CYS 45 2HB CYS 45 -8.938 4.878 -0.348 334 HG CYS 45 HG CYS 45 -11.475 4.336 0.156 335 H ARG 46 H ARG 46 -11.020 2.610 -0.994 336 HA ARG 46 HA ARG 46 -11.131 1.749 -3.595 337 HB2 ARG 46 1HB ARG 46 -12.945 3.324 -1.853 338 HB3 ARG 46 2HB ARG 46 -13.296 3.339 -3.577 339 HG2 ARG 46 1HG ARG 46 -13.110 0.770 -3.400 340 HG3 ARG 46 2HG ARG 46 -13.314 1.041 -1.668 341 HD2 ARG 46 1HD ARG 46 -15.203 2.361 -3.553 342 HD3 ARG 46 2HD ARG 46 -15.384 0.634 -3.252 343 HE ARG 46 HE ARG 46 -15.231 1.668 -0.763 344 HH11 ARG 46 2HH1 ARG 46 -17.178 2.437 -3.545 345 HH12 ARG 46 1HH1 ARG 46 -18.527 2.991 -2.611 346 HH21 ARG 46 2HH2 ARG 46 -17.001 2.395 0.478 347 HH22 ARG 46 1HH2 ARG 46 -18.425 2.967 -0.322 348 H ALA 47 H ALA 47 -11.478 2.809 -5.613 349 HA ALA 47 HA ALA 47 -9.711 4.991 -6.063 350 HB1 ALA 47 1HB ALA 47 -9.788 3.644 -7.903 351 HB2 ALA 47 2HB ALA 47 -11.518 3.338 -7.746 352 HB3 ALA 47 3HB ALA 47 -10.950 4.878 -8.392 353 H ASP 48 H ASP 48 -12.801 4.921 -4.852 354 HA ASP 48 HA ASP 48 -13.587 7.482 -6.035 355 HB2 ASP 48 1HB ASP 48 -15.303 5.748 -5.991 356 HB3 ASP 48 2HB ASP 48 -15.115 5.578 -4.247 357 H GLU 49 H GLU 49 -12.210 6.153 -3.201 358 HA GLU 49 HA GLU 49 -12.986 8.346 -1.476 359 HB2 GLU 49 1HB GLU 49 -11.315 5.877 -1.134 360 HB3 GLU 49 2HB GLU 49 -11.245 7.167 0.060 361 HG2 GLU 49 1HG GLU 49 -13.579 5.448 -0.695 362 HG3 GLU 49 2HG GLU 49 -12.815 5.641 0.882 363 H ALA 50 H ALA 50 -11.443 9.747 -0.435 364 HA ALA 50 HA ALA 50 -9.205 10.419 -2.220 365 HB1 ALA 50 1HB ALA 50 -9.370 12.657 -1.478 366 HB2 ALA 50 2HB ALA 50 -11.023 12.116 -1.775 367 HB3 ALA 50 3HB ALA 50 -10.408 12.210 -0.124 368 H ARG 51 H ARG 51 -9.964 9.236 0.895 369 HA ARG 51 HA ARG 51 -7.217 9.753 1.823 370 HB2 ARG 51 1HB ARG 51 -9.741 9.183 3.383 371 HB3 ARG 51 2HB ARG 51 -8.138 9.249 4.104 372 HG2 ARG 51 1HG ARG 51 -7.915 11.556 3.613 373 HG3 ARG 51 2HG ARG 51 -9.344 11.540 2.579 374 HD2 ARG 51 1HD ARG 51 -9.295 11.091 5.561 375 HD3 ARG 51 2HD ARG 51 -9.840 12.552 4.739 376 HE ARG 51 HE ARG 51 -11.318 10.404 3.746 377 HH11 ARG 51 2HH1 ARG 51 -10.884 12.147 6.728 378 HH12 ARG 51 1HH1 ARG 51 -12.492 11.840 7.293 379 HH21 ARG 51 2HH2 ARG 51 -13.438 9.993 4.479 380 HH22 ARG 51 1HH2 ARG 51 -13.944 10.614 6.014 381 HA PRO 52 HA PRO 52 -6.728 5.372 1.019 382 HB2 PRO 52 1HB PRO 52 -4.068 5.323 1.562 383 HB3 PRO 52 2HB PRO 52 -4.726 5.917 0.032 384 HG2 PRO 52 1HG PRO 52 -3.815 7.462 2.429 385 HG3 PRO 52 2HG PRO 52 -3.525 7.789 0.711 386 HD2 PRO 52 1HD PRO 52 -5.420 9.090 2.141 387 HD3 PRO 52 2HD PRO 52 -5.603 8.739 0.410 388 H ASN 53 H ASN 53 -6.620 3.573 2.305 389 HA ASN 53 HA ASN 53 -6.971 3.920 5.105 390 HB2 ASN 53 1HB ASN 53 -6.519 1.392 3.502 391 HB3 ASN 53 2HB ASN 53 -7.064 1.452 5.176 392 HD21 ASN 53 1HD2 ASN 53 -8.114 0.911 2.198 393 HD22 ASN 53 2HD2 ASN 53 -9.740 1.483 2.315 394 H THR 54 H THR 54 -5.206 4.743 6.128 395 HA THR 54 HA THR 54 -2.537 3.945 5.632 396 HB THR 54 HB THR 54 -3.650 5.233 8.132 397 HG1 THR 54 1HG THR 54 -2.714 7.147 6.937 398 HG21 THR 54 1HG2 THR 54 -0.909 4.666 7.133 399 HG22 THR 54 2HG2 THR 54 -1.528 4.692 8.784 400 HG23 THR 54 3HG2 THR 54 -1.182 6.205 7.947 401 H ILE 55 H ILE 55 -1.246 2.447 6.590 402 HA ILE 55 HA ILE 55 -2.275 0.908 8.850 403 HB ILE 55 HB ILE 55 -1.286 -0.431 6.331 404 HG12 ILE 55 1HG1 ILE 55 -4.084 -0.546 7.448 405 HG13 ILE 55 2HG1 ILE 55 -3.604 0.662 6.260 406 HG21 ILE 55 1HG2 ILE 55 -2.193 -1.456 9.001 407 HG22 ILE 55 2HG2 ILE 55 -2.227 -2.466 7.557 408 HG23 ILE 55 3HG2 ILE 55 -0.697 -1.804 8.133 409 HD11 ILE 55 1HD1 ILE 55 -4.597 -1.059 5.031 410 HD12 ILE 55 2HD1 ILE 55 -2.861 -1.292 4.817 411 HD13 ILE 55 3HD1 ILE 55 -3.756 -2.313 5.943 412 H ASP 56 H ASP 56 -0.661 -0.287 9.980 413 HA ASP 56 HA ASP 56 2.027 0.822 9.594 414 HB2 ASP 56 1HB ASP 56 0.820 1.053 11.815 415 HB3 ASP 56 2HB ASP 56 1.014 -0.687 12.005 416 H PHE 57 H PHE 57 3.789 -0.435 9.237 417 HA PHE 57 HA PHE 57 3.511 -3.342 9.346 418 HB2 PHE 57 1HB PHE 57 4.132 -1.737 6.881 419 HB3 PHE 57 2HB PHE 57 4.727 -3.384 7.057 420 HD1 PHE 57 1HD PHE 57 2.903 -5.153 7.723 421 HD2 PHE 57 2HD PHE 57 2.087 -1.399 5.891 422 HE1 PHE 57 1HE PHE 57 0.747 -6.020 6.914 423 HE2 PHE 57 2HE PHE 57 -0.070 -2.259 5.080 424 HZ PHE 57 HZ PHE 57 -0.743 -4.573 5.591 425 H GLY 58 H GLY 58 5.400 -4.431 9.774 426 HA2 GLY 58 1HA GLY 58 7.624 -2.754 10.651 427 HA3 GLY 58 2HA GLY 58 7.392 -4.455 11.027 428 H LYS 59 H LYS 59 9.788 -3.116 10.064 429 HA LYS 59 HA LYS 59 10.432 -3.279 7.447 430 HB2 LYS 59 1HB LYS 59 12.710 -3.910 8.113 431 HB3 LYS 59 2HB LYS 59 12.049 -2.671 9.171 432 HG2 LYS 59 1HG LYS 59 11.451 -4.514 10.775 433 HG3 LYS 59 2HG LYS 59 12.400 -5.598 9.755 434 HD2 LYS 59 1HD LYS 59 13.612 -3.048 10.734 435 HD3 LYS 59 2HD LYS 59 13.503 -4.436 11.819 436 HE2 LYS 59 1HE LYS 59 14.630 -5.784 10.009 437 HE3 LYS 59 2HE LYS 59 14.929 -4.262 9.172 438 HZ1 LYS 59 1HZ LYS 59 15.960 -3.577 11.428 439 HZ2 LYS 59 2HZ LYS 59 16.853 -4.547 10.368 440 HZ3 LYS 59 3HZ LYS 59 16.072 -5.244 11.698 441 H ASP 60 H ASP 60 9.593 -5.932 9.506 442 HA ASP 60 HA ASP 60 10.629 -7.984 7.786 443 HB2 ASP 60 1HB ASP 60 8.991 -7.900 10.275 444 HB3 ASP 60 2HB ASP 60 8.921 -9.359 9.291 445 H ASP 61 H ASP 61 7.476 -6.497 8.353 446 HA ASP 61 HA ASP 61 6.021 -8.229 6.638 447 HB2 ASP 61 1HB ASP 61 5.499 -5.641 8.012 448 HB3 ASP 61 2HB ASP 61 4.459 -6.060 6.654 449 H GLN 62 H GLN 62 7.027 -8.398 4.655 450 HA GLN 62 HA GLN 62 7.365 -5.944 3.088 451 HB2 GLN 62 1HB GLN 62 8.364 -8.756 2.611 452 HB3 GLN 62 2HB GLN 62 8.627 -7.408 1.512 453 HG2 GLN 62 1HG GLN 62 9.882 -6.233 3.235 454 HG3 GLN 62 2HG GLN 62 9.598 -7.562 4.357 455 HE21 GLN 62 1HE2 GLN 62 10.780 -7.103 1.039 456 HE22 GLN 62 2HE2 GLN 62 12.132 -8.167 1.193 457 H HIS 63 H HIS 63 4.997 -8.083 3.663 458 HA HIS 63 HA HIS 63 3.645 -7.465 1.190 459 HB2 HIS 63 1HB HIS 63 3.045 -10.009 0.982 460 HB3 HIS 63 2HB HIS 63 4.542 -9.398 0.284 461 HD1 HIS 63 1HD HIS 63 6.577 -10.661 0.900 462 HD2 HIS 63 2HD HIS 63 3.535 -11.176 3.682 463 HE1 HIS 63 1HE HIS 63 7.455 -12.341 2.552 464 HE2 HIS 63 2HE HIS 63 5.565 -12.701 4.177 465 H PHE 64 H PHE 64 1.367 -8.044 1.244 466 HA PHE 64 HA PHE 64 0.309 -8.811 3.855 467 HB2 PHE 64 1HB PHE 64 0.529 -6.285 3.740 468 HB3 PHE 64 2HB PHE 64 -0.680 -6.323 2.461 469 HD1 PHE 64 2HD PHE 64 -0.175 -7.597 5.930 470 HD2 PHE 64 1HD PHE 64 -2.876 -6.016 3.046 471 HE1 PHE 64 2HE PHE 64 -1.959 -7.566 7.623 472 HE2 PHE 64 1HE PHE 64 -4.665 -5.982 4.735 473 HZ PHE 64 HZ PHE 64 -4.208 -6.759 7.027 474 H THR 65 H THR 65 -1.827 -9.593 3.805 475 HA THR 65 HA THR 65 -2.776 -10.279 1.103 476 HB THR 65 HB THR 65 -3.337 -11.755 3.681 477 HG1 THR 65 1HG THR 65 -1.632 -12.960 3.231 478 HG21 THR 65 1HG2 THR 65 -4.519 -13.307 2.454 479 HG22 THR 65 2HG2 THR 65 -3.701 -12.897 0.947 480 HG23 THR 65 3HG2 THR 65 -4.937 -11.823 1.599 481 H VAL 66 H VAL 66 -4.466 -9.110 0.488 482 HA VAL 66 HA VAL 66 -6.392 -8.216 2.526 483 HB VAL 66 HB VAL 66 -5.925 -7.110 -0.247 484 HG11 VAL 66 1HG1 VAL 66 -7.541 -5.482 0.197 485 HG12 VAL 66 2HG1 VAL 66 -8.270 -6.978 0.785 486 HG13 VAL 66 3HG1 VAL 66 -7.556 -5.836 1.925 487 HG21 VAL 66 1HG2 VAL 66 -4.071 -6.421 0.966 488 HG22 VAL 66 2HG2 VAL 66 -5.198 -5.084 1.191 489 HG23 VAL 66 3HG2 VAL 66 -4.981 -6.279 2.470 490 H THR 67 H THR 67 -8.315 -9.159 2.571 491 HA THR 67 HA THR 67 -9.328 -10.420 0.106 492 HB THR 67 HB THR 67 -10.372 -12.170 1.454 493 HG1 THR 67 1HG THR 67 -10.486 -11.990 3.560 494 HG21 THR 67 1HG2 THR 67 -7.576 -12.221 2.455 495 HG22 THR 67 2HG2 THR 67 -7.817 -12.122 0.711 496 HG23 THR 67 3HG2 THR 67 -8.502 -13.468 1.621 497 H GLY 68 H GLY 68 -11.576 -10.365 -0.233 498 HA2 GLY 68 1HA GLY 68 -13.802 -9.776 0.343 499 HA3 GLY 68 2HA GLY 68 -13.172 -8.775 1.644 500 H LEU 69 H LEU 69 -11.368 -8.270 -1.117 501 HA LEU 69 HA LEU 69 -12.178 -5.602 -1.416 502 HB2 LEU 69 1HB LEU 69 -10.653 -7.435 -3.253 503 HB3 LEU 69 2HB LEU 69 -10.889 -5.718 -3.574 504 HG LEU 69 HG LEU 69 -9.508 -6.769 -1.111 505 HD11 LEU 69 1HD1 LEU 69 -7.424 -6.453 -2.159 506 HD12 LEU 69 2HD1 LEU 69 -8.156 -5.670 -3.559 507 HD13 LEU 69 3HD1 LEU 69 -8.389 -7.398 -3.294 508 HD21 LEU 69 1HD2 LEU 69 -8.801 -4.136 -2.090 509 HD22 LEU 69 2HD2 LEU 69 -9.326 -4.641 -0.484 510 HD23 LEU 69 3HD2 LEU 69 -10.522 -4.266 -1.726 511 H HIS 70 H HIS 70 -13.794 -4.676 -2.495 512 HA HIS 70 HA HIS 70 -15.864 -6.161 -3.667 513 HB2 HIS 70 1HB HIS 70 -15.159 -3.235 -3.722 514 HB3 HIS 70 2HB HIS 70 -16.558 -3.859 -4.591 515 HD1 HIS 70 1HD HIS 70 -18.060 -2.403 -3.001 516 HD2 HIS 70 2HD HIS 70 -15.926 -5.430 -1.118 517 HE1 HIS 70 1HE HIS 70 -19.110 -2.654 -0.729 518 HE2 HIS 70 2HE HIS 70 -17.748 -4.432 0.423 519 H LYS 71 H LYS 71 -15.818 -7.240 -5.515 520 HA LYS 71 HA LYS 71 -13.842 -6.941 -7.493 521 HB2 LYS 71 1HB LYS 71 -15.242 -8.451 -8.845 522 HB3 LYS 71 2HB LYS 71 -15.051 -9.031 -7.196 523 HG2 LYS 71 1HG LYS 71 -17.246 -8.611 -6.648 524 HG3 LYS 71 2HG LYS 71 -17.436 -7.387 -7.905 525 HD2 LYS 71 1HD LYS 71 -16.987 -9.461 -9.486 526 HD3 LYS 71 2HD LYS 71 -17.597 -10.353 -8.091 527 HE2 LYS 71 1HE LYS 71 -19.437 -9.875 -9.552 528 HE3 LYS 71 2HE LYS 71 -19.602 -8.883 -8.103 529 HZ1 LYS 71 1HZ LYS 71 -19.003 -8.079 -10.849 530 HZ2 LYS 71 2HZ LYS 71 -18.283 -7.189 -9.604 531 HZ3 LYS 71 3HZ LYS 71 -19.968 -7.318 -9.686 532 H GLY 72 H GLY 72 -14.048 -6.220 -9.684 533 HA2 GLY 72 1HA GLY 72 -14.645 -4.719 -11.315 534 HA3 GLY 72 2HA GLY 72 -16.280 -4.819 -10.680 535 H THR 73 H THR 73 -13.581 -3.788 -8.719 536 HA THR 73 HA THR 73 -14.466 -0.995 -8.951 537 HB THR 73 HB THR 73 -14.026 -2.497 -6.365 538 HG1 THR 73 1HG THR 73 -16.113 -2.769 -7.013 539 HG21 THR 73 1HG2 THR 73 -14.548 -0.330 -5.270 540 HG22 THR 73 2HG2 THR 73 -14.453 0.453 -6.848 541 HG23 THR 73 3HG2 THR 73 -13.023 -0.309 -6.154 542 H THR 74 H THR 74 -12.821 0.323 -9.346 543 HA THR 74 HA THR 74 -10.124 -0.603 -9.325 544 HB THR 74 HB THR 74 -11.050 2.256 -9.627 545 HG1 THR 74 1HG THR 74 -10.930 1.663 -11.935 546 HG21 THR 74 1HG2 THR 74 -8.536 1.449 -9.344 547 HG22 THR 74 2HG2 THR 74 -8.977 2.736 -10.466 548 HG23 THR 74 3HG2 THR 74 -8.718 1.097 -11.061 549 H TYR 75 H TYR 75 -8.456 -0.119 -7.956 550 HA TYR 75 HA TYR 75 -9.108 1.450 -5.552 551 HB2 TYR 75 1HB TYR 75 -7.979 -1.303 -5.773 552 HB3 TYR 75 2HB TYR 75 -7.393 -0.268 -4.475 553 HD1 TYR 75 1HD TYR 75 -8.873 0.421 -2.667 554 HD2 TYR 75 2HD TYR 75 -10.261 -2.120 -5.784 555 HE1 TYR 75 1HE TYR 75 -10.844 -0.153 -1.313 556 HE2 TYR 75 2HE TYR 75 -12.237 -2.700 -4.440 557 HH TYR 75 HH TYR 75 -13.530 -1.864 -2.612 558 H ILE 76 H ILE 76 -7.093 2.104 -4.338 559 HA ILE 76 HA ILE 76 -4.825 2.559 -6.152 560 HB ILE 76 HB ILE 76 -5.849 4.696 -4.292 561 HG12 ILE 76 1HG1 ILE 76 -6.238 4.906 -7.240 562 HG13 ILE 76 2HG1 ILE 76 -7.356 3.889 -6.337 563 HG21 ILE 76 1HG2 ILE 76 -4.181 5.142 -6.727 564 HG22 ILE 76 2HG2 ILE 76 -4.283 6.091 -5.245 565 HG23 ILE 76 3HG2 ILE 76 -3.426 4.550 -5.248 566 HD11 ILE 76 1HD1 ILE 76 -8.176 6.183 -6.657 567 HD12 ILE 76 2HD1 ILE 76 -7.993 5.756 -4.955 568 HD13 ILE 76 3HD1 ILE 76 -6.794 6.784 -5.740 569 H PHE 77 H PHE 77 -3.246 1.416 -5.221 570 HA PHE 77 HA PHE 77 -2.987 1.409 -2.309 571 HB2 PHE 77 1HB PHE 77 -1.764 -0.266 -4.495 572 HB3 PHE 77 2HB PHE 77 -1.164 -0.317 -2.841 573 HD1 PHE 77 2HD PHE 77 -2.592 -1.172 -1.032 574 HD2 PHE 77 1HD PHE 77 -3.816 -1.303 -5.106 575 HE1 PHE 77 2HE PHE 77 -4.326 -2.819 -0.454 576 HE2 PHE 77 1HE PHE 77 -5.553 -2.949 -4.535 577 HZ PHE 77 HZ PHE 77 -5.809 -3.710 -2.207 578 H ARG 78 H ARG 78 -1.254 2.238 -1.226 579 HA ARG 78 HA ARG 78 0.943 3.405 -2.764 580 HB2 ARG 78 1HB ARG 78 -0.842 4.915 -0.857 581 HB3 ARG 78 2HB ARG 78 0.758 5.483 -1.315 582 HG2 ARG 78 1HG ARG 78 0.068 5.561 -3.654 583 HG3 ARG 78 2HG ARG 78 -1.536 4.981 -3.200 584 HD2 ARG 78 1HD ARG 78 -1.758 6.988 -1.730 585 HD3 ARG 78 2HD ARG 78 -0.238 7.580 -2.399 586 HE ARG 78 HE ARG 78 -2.128 6.957 -4.439 587 HH11 ARG 78 2HH1 ARG 78 -1.241 9.363 -2.085 588 HH12 ARG 78 1HH1 ARG 78 -1.952 10.675 -2.965 589 HH21 ARG 78 2HH2 ARG 78 -3.069 8.676 -5.607 590 HH22 ARG 78 1HH2 ARG 78 -2.993 10.283 -4.968 591 H LEU 79 H LEU 79 2.882 3.240 -1.779 592 HA LEU 79 HA LEU 79 2.921 2.441 1.054 593 HB2 LEU 79 1HB LEU 79 3.298 0.531 -0.512 594 HB3 LEU 79 2HB LEU 79 4.744 1.359 -1.087 595 HG LEU 79 HG LEU 79 5.663 1.217 1.226 596 HD11 LEU 79 1HD1 LEU 79 4.495 0.437 2.954 597 HD12 LEU 79 2HD1 LEU 79 3.896 -0.943 2.034 598 HD13 LEU 79 3HD1 LEU 79 3.070 0.611 1.929 599 HD21 LEU 79 1HD2 LEU 79 6.705 -0.493 0.261 600 HD22 LEU 79 2HD2 LEU 79 5.278 -0.911 -0.688 601 HD23 LEU 79 3HD2 LEU 79 5.467 -1.544 0.948 602 H ALA 80 H ALA 80 5.035 2.803 2.109 603 HA ALA 80 HA ALA 80 6.812 4.717 0.851 604 HB1 ALA 80 1HB ALA 80 5.652 6.468 1.648 605 HB2 ALA 80 2HB ALA 80 4.801 5.492 2.846 606 HB3 ALA 80 3HB ALA 80 6.438 6.061 3.174 607 H ALA 81 H ALA 81 8.825 4.871 1.855 608 HA ALA 81 HA ALA 81 9.401 2.693 3.713 609 HB1 ALA 81 1HB ALA 81 11.772 4.054 2.999 610 HB2 ALA 81 2HB ALA 81 11.222 2.464 2.469 611 HB3 ALA 81 3HB ALA 81 10.794 3.900 1.539 612 H LYS 82 H LYS 82 10.429 2.976 5.686 613 HA LYS 82 HA LYS 82 10.581 5.747 6.674 614 HB2 LYS 82 1HB LYS 82 8.621 4.249 7.500 615 HB3 LYS 82 2HB LYS 82 9.855 3.450 8.466 616 HG2 LYS 82 1HG LYS 82 10.416 5.907 9.201 617 HG3 LYS 82 2HG LYS 82 8.751 6.201 8.694 618 HD2 LYS 82 1HD LYS 82 9.525 4.000 10.598 619 HD3 LYS 82 2HD LYS 82 9.077 5.622 11.132 620 HE2 LYS 82 1HE LYS 82 6.883 5.396 10.336 621 HE3 LYS 82 2HE LYS 82 7.299 4.012 9.327 622 HZ1 LYS 82 1HZ LYS 82 6.231 3.935 11.851 623 HZ2 LYS 82 2HZ LYS 82 7.851 3.505 12.073 624 HZ3 LYS 82 3HZ LYS 82 6.884 2.631 10.995 625 H ASN 83 H ASN 83 12.540 6.295 7.350 626 HA ASN 83 HA ASN 83 14.372 4.157 8.222 627 HB2 ASN 83 1HB ASN 83 16.222 5.549 7.405 628 HB3 ASN 83 2HB ASN 83 15.082 5.190 6.110 629 HD21 ASN 83 1HD2 ASN 83 16.689 7.191 5.616 630 HD22 ASN 83 2HD2 ASN 83 15.902 8.721 5.781 631 H ARG 84 H ARG 84 16.345 5.431 9.417 632 HA ARG 84 HA ARG 84 15.451 6.029 11.954 633 HB2 ARG 84 1HB ARG 84 17.801 5.480 11.330 634 HB3 ARG 84 2HB ARG 84 17.971 7.105 10.680 635 HG2 ARG 84 1HG ARG 84 17.955 8.087 12.765 636 HG3 ARG 84 2HG ARG 84 17.112 6.728 13.512 637 HD2 ARG 84 1HD ARG 84 19.207 6.339 14.314 638 HD3 ARG 84 2HD ARG 84 19.320 5.450 12.795 639 HE ARG 84 HE ARG 84 20.683 7.903 13.488 640 HH11 ARG 84 2HH1 ARG 84 19.665 5.763 10.938 641 HH12 ARG 84 1HH1 ARG 84 20.857 6.325 9.813 642 HH21 ARG 84 2HH2 ARG 84 22.257 8.651 12.016 643 HH22 ARG 84 1HH2 ARG 84 22.332 7.967 10.428 644 H ALA 85 H ALA 85 15.784 8.135 9.189 645 HA ALA 85 HA ALA 85 15.409 10.558 10.710 646 HB1 ALA 85 1HB ALA 85 15.115 11.508 8.318 647 HB2 ALA 85 2HB ALA 85 16.702 10.927 8.826 648 HB3 ALA 85 3HB ALA 85 15.680 9.919 7.801 649 H GLY 86 H GLY 86 13.410 8.221 9.130 650 HA2 GLY 86 1HA GLY 86 11.052 8.361 10.036 651 HA3 GLY 86 2HA GLY 86 11.079 10.010 9.429 652 H LEU 87 H LEU 87 9.118 9.180 8.298 653 HA LEU 87 HA LEU 87 9.391 7.281 6.197 654 HB2 LEU 87 1HB LEU 87 7.293 9.424 6.472 655 HB3 LEU 87 2HB LEU 87 7.176 7.931 5.543 656 HG LEU 87 HG LEU 87 7.560 7.801 8.505 657 HD11 LEU 87 1HD1 LEU 87 5.458 8.390 9.034 658 HD12 LEU 87 2HD1 LEU 87 4.784 7.730 7.544 659 HD13 LEU 87 3HD1 LEU 87 5.543 9.322 7.539 660 HD21 LEU 87 1HD2 LEU 87 6.748 5.663 8.305 661 HD22 LEU 87 2HD2 LEU 87 7.569 5.852 6.755 662 HD23 LEU 87 3HD2 LEU 87 5.817 6.033 6.853 663 H GLY 88 H GLY 88 9.440 7.626 3.951 664 HA2 GLY 88 1HA GLY 88 10.436 10.298 3.171 665 HA3 GLY 88 2HA GLY 88 11.046 8.801 2.483 666 H GLU 89 H GLU 89 10.524 9.089 0.374 667 HA GLU 89 HA GLU 89 8.145 10.238 -0.580 668 HB2 GLU 89 1HB GLU 89 10.258 8.497 -1.795 669 HB3 GLU 89 2HB GLU 89 8.792 8.846 -2.701 670 HG2 GLU 89 1HG GLU 89 10.306 11.104 -1.493 671 HG3 GLU 89 2HG GLU 89 10.928 10.336 -2.953 672 H GLU 90 H GLU 90 6.604 8.982 -2.058 673 HA GLU 90 HA GLU 90 5.945 6.351 -0.942 674 HB2 GLU 90 1HB GLU 90 3.559 6.976 -0.836 675 HB3 GLU 90 2HB GLU 90 4.549 7.923 0.265 676 HG2 GLU 90 1HG GLU 90 4.230 9.860 -0.882 677 HG3 GLU 90 2HG GLU 90 4.028 9.041 -2.430 678 H PHE 91 H PHE 91 4.947 4.937 -2.351 679 HA PHE 91 HA PHE 91 5.024 5.748 -5.165 680 HB2 PHE 91 1HB PHE 91 6.340 3.759 -4.468 681 HB3 PHE 91 2HB PHE 91 4.844 2.969 -3.983 682 HD1 PHE 91 2HD PHE 91 3.082 2.557 -5.763 683 HD2 PHE 91 1HD PHE 91 7.097 3.644 -6.667 684 HE1 PHE 91 2HE PHE 91 2.797 1.695 -8.050 685 HE2 PHE 91 1HE PHE 91 6.818 2.785 -8.956 686 HZ PHE 91 HZ PHE 91 4.666 1.808 -9.650 687 H GLU 92 H GLU 92 3.331 5.038 -6.615 688 HA GLU 92 HA GLU 92 0.737 4.621 -5.287 689 HB2 GLU 92 1HB GLU 92 0.969 6.977 -5.995 690 HB3 GLU 92 2HB GLU 92 1.253 6.441 -7.645 691 HG2 GLU 92 1HG GLU 92 -0.959 5.612 -7.850 692 HG3 GLU 92 2HG GLU 92 -1.260 5.811 -6.124 693 H LYS 93 H LYS 93 -0.575 3.126 -6.185 694 HA LYS 93 HA LYS 93 0.071 2.093 -8.851 695 HB2 LYS 93 1HB LYS 93 1.210 0.574 -7.381 696 HB3 LYS 93 2HB LYS 93 -0.198 0.444 -6.335 697 HG2 LYS 93 1HG LYS 93 0.089 -1.538 -7.729 698 HG3 LYS 93 2HG LYS 93 -1.425 -0.703 -8.085 699 HD2 LYS 93 1HD LYS 93 -0.513 0.248 -10.079 700 HD3 LYS 93 2HD LYS 93 1.108 -0.321 -9.674 701 HE2 LYS 93 1HE LYS 93 0.154 -2.666 -9.766 702 HE3 LYS 93 2HE LYS 93 -1.287 -1.951 -10.486 703 HZ1 LYS 93 1HZ LYS 93 0.303 -0.955 -12.172 704 HZ2 LYS 93 2HZ LYS 93 0.023 -2.619 -12.280 705 HZ3 LYS 93 3HZ LYS 93 1.455 -2.046 -11.586 706 H GLU 94 H GLU 94 -1.684 1.830 -10.076 707 HA GLU 94 HA GLU 94 -4.309 1.852 -8.742 708 HB2 GLU 94 1HB GLU 94 -3.824 3.793 -10.211 709 HB3 GLU 94 2HB GLU 94 -3.632 2.691 -11.567 710 HG2 GLU 94 1HG GLU 94 -5.998 1.938 -11.138 711 HG3 GLU 94 2HG GLU 94 -6.134 3.294 -10.020 712 H ILE 95 H ILE 95 -5.472 0.056 -8.837 713 HA ILE 95 HA ILE 95 -5.071 -1.777 -11.104 714 HB ILE 95 HB ILE 95 -5.150 -3.699 -9.703 715 HG12 ILE 95 1HG1 ILE 95 -6.796 -2.914 -8.074 716 HG13 ILE 95 2HG1 ILE 95 -5.375 -3.549 -7.252 717 HG21 ILE 95 1HG2 ILE 95 -3.185 -1.597 -9.173 718 HG22 ILE 95 2HG2 ILE 95 -3.269 -2.840 -7.925 719 HG23 ILE 95 3HG2 ILE 95 -2.949 -3.292 -9.599 720 HD11 ILE 95 1HD1 ILE 95 -5.694 -1.654 -6.050 721 HD12 ILE 95 2HD1 ILE 95 -4.656 -1.007 -7.322 722 HD13 ILE 95 3HD1 ILE 95 -6.403 -0.778 -7.407 723 H ARG 96 H ARG 96 -6.907 -3.625 -10.761 724 HA ARG 96 HA ARG 96 -9.439 -2.508 -9.923 725 HB2 ARG 96 1HB ARG 96 -8.948 -1.670 -12.299 726 HB3 ARG 96 2HB ARG 96 -9.184 -3.337 -12.806 727 HG2 ARG 96 1HG ARG 96 -11.452 -3.289 -11.875 728 HG3 ARG 96 2HG ARG 96 -11.211 -1.605 -11.407 729 HD2 ARG 96 1HD ARG 96 -10.974 -2.606 -14.238 730 HD3 ARG 96 2HD ARG 96 -12.462 -1.949 -13.555 731 HE ARG 96 HE ARG 96 -11.548 0.168 -13.645 732 HH11 ARG 96 2HH1 ARG 96 -9.123 -2.221 -14.372 733 HH12 ARG 96 1HH1 ARG 96 -7.965 -1.064 -14.939 734 HH21 ARG 96 2HH2 ARG 96 -10.033 1.702 -14.389 735 HH22 ARG 96 1HH2 ARG 96 -8.484 1.168 -14.948 736 H THR 97 H THR 97 -10.436 -4.112 -8.918 737 HA THR 97 HA THR 97 -9.639 -6.809 -9.085 738 HB THR 97 HB THR 97 -11.829 -7.247 -7.847 739 HG1 THR 97 1HG THR 97 -12.533 -5.021 -6.961 740 HG21 THR 97 1HG2 THR 97 -10.930 -6.529 -5.808 741 HG22 THR 97 2HG2 THR 97 -10.190 -5.101 -6.532 742 HG23 THR 97 3HG2 THR 97 -9.519 -6.700 -6.851 743 HA PRO 98 HA PRO 98 -11.834 -8.308 -12.592 744 HB2 PRO 98 1HB PRO 98 -12.066 -10.921 -11.893 745 HB3 PRO 98 2HB PRO 98 -10.539 -10.197 -12.412 746 HG2 PRO 98 1HG PRO 98 -11.521 -10.766 -9.642 747 HG3 PRO 98 2HG PRO 98 -9.909 -11.026 -10.333 748 HD2 PRO 98 1HD PRO 98 -10.494 -8.899 -8.764 749 HD3 PRO 98 2HD PRO 98 -9.305 -8.817 -10.079 750 H GLU 99 H GLU 99 -13.910 -7.882 -12.981 751 HA GLU 99 HA GLU 99 -15.933 -8.236 -10.964 752 HB2 GLU 99 1HB GLU 99 -17.455 -7.444 -12.863 753 HB3 GLU 99 2HB GLU 99 -16.236 -6.317 -12.284 754 HG2 GLU 99 1HG GLU 99 -14.991 -6.457 -14.197 755 HG3 GLU 99 2HG GLU 99 -15.573 -8.074 -14.589 756 H ASP 100 H ASP 100 -17.917 -9.439 -11.320 757 HA ASP 100 HA ASP 100 -17.789 -11.612 -13.258 758 HB2 ASP 100 1HB ASP 100 -16.726 -12.223 -10.931 759 HB3 ASP 100 2HB ASP 100 -18.408 -12.359 -10.425 760 H LEU 101 H LEU 101 -19.816 -12.701 -13.558 761 HA LEU 101 HA LEU 101 -22.169 -11.806 -12.190 762 HB2 LEU 101 1HB LEU 101 -21.469 -10.010 -13.954 763 HB3 LEU 101 2HB LEU 101 -22.150 -11.159 -15.105 764 HG LEU 101 HG LEU 101 -23.765 -10.210 -12.768 765 HD11 LEU 101 1HD1 LEU 101 -23.974 -8.821 -15.390 766 HD12 LEU 101 2HD1 LEU 101 -22.703 -8.330 -14.270 767 HD13 LEU 101 3HD1 LEU 101 -24.394 -8.256 -13.772 768 HD21 LEU 101 1HD2 LEU 101 -24.570 -12.111 -14.087 769 HD22 LEU 101 2HD2 LEU 101 -24.489 -11.128 -15.549 770 HD23 LEU 101 3HD2 LEU 101 -25.620 -10.705 -14.263 771 H SER 102 H SER 102 -23.764 -13.282 -12.353 772 HA SER 102 HA SER 102 -24.719 -15.309 -12.782 773 HB2 SER 102 1HB SER 102 -25.506 -15.572 -14.963 774 HB3 SER 102 2HB SER 102 -25.176 -13.841 -14.891 775 HG SER 102 HG SER 102 -24.075 -14.314 -16.640 776 H GLY 103 H GLY 103 -22.192 -15.665 -11.883 777 HA2 GLY 103 1HA GLY 103 -20.737 -17.405 -13.697 778 HA3 GLY 103 2HA GLY 103 -20.253 -16.953 -12.070 779 HA PRO 104 HA PRO 104 -21.903 -21.358 -12.199 780 HB2 PRO 104 1HB PRO 104 -19.607 -22.569 -11.402 781 HB3 PRO 104 2HB PRO 104 -19.993 -22.262 -13.100 782 HG2 PRO 104 1HG PRO 104 -18.227 -20.708 -11.248 783 HG3 PRO 104 2HG PRO 104 -17.953 -21.157 -12.942 784 HD2 PRO 104 1HD PRO 104 -18.792 -18.690 -12.206 785 HD3 PRO 104 2HD PRO 104 -19.272 -19.444 -13.741 786 H SER 105 H SER 105 -21.862 -22.919 -10.327 787 HA SER 105 HA SER 105 -21.190 -21.731 -7.754 788 HB2 SER 105 1HB SER 105 -23.465 -20.925 -8.152 789 HB3 SER 105 2HB SER 105 -24.011 -22.572 -8.469 790 HG SER 105 HG SER 105 -24.338 -21.670 -6.268 791 H SER 106 H SER 106 -21.519 -23.288 -5.953 792 HA SER 106 HA SER 106 -21.851 -26.069 -6.594 793 HB2 SER 106 1HB SER 106 -19.518 -25.673 -7.337 794 HB3 SER 106 2HB SER 106 -19.115 -25.117 -5.713 795 HG SER 106 HG SER 106 -18.851 -27.501 -6.462 796 H GLY 107 H GLY 107 -22.080 -27.379 -4.760 797 HA2 GLY 107 1HA GLY 107 -21.587 -27.446 -2.270 798 HA3 GLY 107 2HA GLY 107 -22.335 -25.856 -2.244 Start of MODEL 19 1 H1 GLY 1 H GLY 1 7.909 22.586 9.015 2 HA2 GLY 1 1HA GLY 1 10.724 22.888 9.865 3 HA3 GLY 1 2HA GLY 1 10.133 21.521 8.932 4 H SER 2 H SER 2 11.525 24.598 8.805 5 HA SER 2 HA SER 2 10.654 25.399 6.217 6 HB2 SER 2 1HB SER 2 12.873 26.239 8.054 7 HB3 SER 2 2HB SER 2 12.842 26.825 6.391 8 HG SER 2 HG SER 2 11.566 28.283 7.231 9 H SER 3 H SER 3 13.755 24.049 7.353 10 HA SER 3 HA SER 3 15.066 23.784 4.966 11 HB2 SER 3 1HB SER 3 15.071 21.900 7.333 12 HB3 SER 3 2HB SER 3 16.222 21.804 6.001 13 HG SER 3 HG SER 3 17.008 23.026 7.794 14 H GLY 4 H GLY 4 15.486 21.824 3.654 15 HA2 GLY 4 1HA GLY 4 13.090 20.839 2.530 16 HA3 GLY 4 2HA GLY 4 14.708 20.256 2.168 17 H SER 5 H SER 5 12.832 18.400 2.114 18 HA SER 5 HA SER 5 12.812 17.086 4.738 19 HB2 SER 5 1HB SER 5 11.100 15.582 3.698 20 HB3 SER 5 2HB SER 5 10.618 17.278 3.742 21 HG SER 5 HG SER 5 11.915 16.867 1.470 22 H SER 6 H SER 6 14.437 15.735 5.086 23 HA SER 6 HA SER 6 15.652 14.328 2.820 24 HB2 SER 6 1HB SER 6 17.460 13.781 4.492 25 HB3 SER 6 2HB SER 6 17.257 15.502 4.164 26 HG SER 6 HG SER 6 16.641 14.034 6.463 27 H GLY 7 H GLY 7 14.277 12.621 2.455 28 HA2 GLY 7 1HA GLY 7 14.202 10.603 4.601 29 HA3 GLY 7 2HA GLY 7 12.735 11.012 3.724 30 HA PRO 8 HA PRO 8 15.081 7.494 1.638 31 HB2 PRO 8 1HB PRO 8 13.177 5.590 1.990 32 HB3 PRO 8 2HB PRO 8 14.466 5.888 3.163 33 HG2 PRO 8 1HG PRO 8 11.622 6.822 3.196 34 HG3 PRO 8 2HG PRO 8 12.604 6.178 4.525 35 HD2 PRO 8 1HD PRO 8 12.164 8.829 4.190 36 HD3 PRO 8 2HD PRO 8 13.671 8.190 4.878 37 H GLY 9 H GLY 9 14.447 6.413 -0.341 38 HA2 GLY 9 1HA GLY 9 12.765 8.048 -1.972 39 HA3 GLY 9 2HA GLY 9 13.572 6.567 -2.467 40 H ARG 10 H ARG 10 11.614 6.109 -3.660 41 HA ARG 10 HA ARG 10 9.311 5.354 -2.013 42 HB2 ARG 10 1HB ARG 10 8.091 5.186 -4.142 43 HB3 ARG 10 2HB ARG 10 8.824 6.771 -3.933 44 HG2 ARG 10 1HG ARG 10 10.731 5.940 -5.363 45 HG3 ARG 10 2HG ARG 10 9.720 4.541 -5.733 46 HD2 ARG 10 1HD ARG 10 8.248 5.762 -6.981 47 HD3 ARG 10 2HD ARG 10 8.532 7.242 -6.065 48 HE ARG 10 HE ARG 10 10.758 6.353 -7.682 49 HH11 ARG 10 2HH1 ARG 10 7.892 8.322 -7.507 50 HH12 ARG 10 1HH1 ARG 10 8.383 9.381 -8.787 51 HH21 ARG 10 2HH2 ARG 10 11.416 7.741 -9.368 52 HH22 ARG 10 1HH2 ARG 10 10.388 9.049 -9.845 53 HA PRO 11 HA PRO 11 10.589 1.113 -2.244 54 HB2 PRO 11 1HB PRO 11 8.333 0.047 -1.174 55 HB3 PRO 11 2HB PRO 11 9.563 0.863 -0.203 56 HG2 PRO 11 1HG PRO 11 6.958 1.916 -1.236 57 HG3 PRO 11 2HG PRO 11 7.694 2.127 0.363 58 HD2 PRO 11 1HD PRO 11 7.801 4.037 -1.552 59 HD3 PRO 11 2HD PRO 11 9.100 3.802 -0.365 60 H THR 12 H THR 12 10.052 -0.794 -3.384 61 HA THR 12 HA THR 12 8.411 -0.309 -5.738 62 HB THR 12 HB THR 12 10.209 -2.646 -5.066 63 HG1 THR 12 1HG THR 12 11.704 -1.297 -5.696 64 HG21 THR 12 1HG2 THR 12 9.032 -3.664 -6.691 65 HG22 THR 12 2HG2 THR 12 9.922 -2.604 -7.783 66 HG23 THR 12 3HG2 THR 12 8.305 -2.155 -7.240 67 H MET 13 H MET 13 6.290 -0.618 -5.348 68 HA MET 13 HA MET 13 5.438 -2.927 -3.773 69 HB2 MET 13 1HB MET 13 4.487 -0.606 -3.406 70 HB3 MET 13 2HB MET 13 3.690 -0.775 -4.965 71 HG2 MET 13 1HG MET 13 2.248 -2.403 -4.204 72 HG3 MET 13 2HG MET 13 3.304 -2.861 -2.870 73 HE1 MET 13 1HE MET 13 1.018 -0.117 -4.342 74 HE2 MET 13 2HE MET 13 0.741 0.969 -2.980 75 HE3 MET 13 3HE MET 13 2.323 0.917 -3.759 76 H MET 14 H MET 14 4.304 -4.628 -4.589 77 HA MET 14 HA MET 14 3.638 -4.584 -7.451 78 HB2 MET 14 1HB MET 14 4.995 -6.878 -6.023 79 HB3 MET 14 2HB MET 14 4.500 -6.857 -7.710 80 HG2 MET 14 1HG MET 14 6.062 -4.934 -8.053 81 HG3 MET 14 2HG MET 14 6.649 -5.206 -6.414 82 HE1 MET 14 1HE MET 14 7.566 -7.462 -5.590 83 HE2 MET 14 2HE MET 14 8.818 -8.237 -6.560 84 HE3 MET 14 3HE MET 14 8.936 -6.519 -6.176 85 H ILE 15 H ILE 15 1.468 -4.617 -7.356 86 HA ILE 15 HA ILE 15 0.121 -6.356 -5.439 87 HB ILE 15 HB ILE 15 -1.070 -4.402 -7.410 88 HG12 ILE 15 1HG1 ILE 15 -0.997 -3.948 -4.457 89 HG13 ILE 15 2HG1 ILE 15 0.456 -3.623 -5.394 90 HG21 ILE 15 1HG2 ILE 15 -2.524 -5.295 -4.992 91 HG22 ILE 15 2HG2 ILE 15 -3.131 -4.888 -6.596 92 HG23 ILE 15 3HG2 ILE 15 -2.371 -6.454 -6.312 93 HD11 ILE 15 1HD1 ILE 15 -2.144 -2.212 -5.368 94 HD12 ILE 15 2HD1 ILE 15 -0.503 -1.573 -5.473 95 HD13 ILE 15 3HD1 ILE 15 -1.264 -2.286 -6.895 96 H SER 16 H SER 16 -0.787 -8.244 -5.950 97 HA SER 16 HA SER 16 -1.395 -8.845 -8.750 98 HB2 SER 16 1HB SER 16 0.414 -10.473 -6.963 99 HB3 SER 16 2HB SER 16 -0.366 -11.150 -8.393 100 HG SER 16 HG SER 16 0.952 -8.754 -8.785 101 H THR 17 H THR 17 -3.107 -10.219 -9.051 102 HA THR 17 HA THR 17 -4.601 -10.930 -6.619 103 HB THR 17 HB THR 17 -6.605 -10.985 -8.008 104 HG1 THR 17 1HG THR 17 -4.716 -10.667 -10.068 105 HG21 THR 17 1HG2 THR 17 -5.318 -8.752 -7.193 106 HG22 THR 17 2HG2 THR 17 -6.902 -8.743 -7.968 107 HG23 THR 17 3HG2 THR 17 -5.452 -8.429 -8.921 108 H THR 18 H THR 18 -4.758 -12.997 -6.070 109 HA THR 18 HA THR 18 -4.387 -15.043 -8.161 110 HB THR 18 HB THR 18 -2.490 -15.485 -6.986 111 HG1 THR 18 1HG THR 18 -4.327 -16.693 -5.176 112 HG21 THR 18 1HG2 THR 18 -3.890 -14.174 -4.684 113 HG22 THR 18 2HG2 THR 18 -2.369 -13.736 -5.462 114 HG23 THR 18 3HG2 THR 18 -2.446 -15.148 -4.410 115 H ALA 19 H ALA 19 -5.741 -14.468 -4.918 116 HA ALA 19 HA ALA 19 -7.599 -16.677 -5.244 117 HB1 ALA 19 1HB ALA 19 -8.143 -15.102 -2.919 118 HB2 ALA 19 2HB ALA 19 -7.528 -16.752 -3.029 119 HB3 ALA 19 3HB ALA 19 -6.408 -15.390 -3.045 120 H MET 20 H MET 20 -9.915 -16.076 -4.289 121 HA MET 20 HA MET 20 -11.054 -14.264 -6.210 122 HB2 MET 20 1HB MET 20 -11.992 -16.523 -5.190 123 HB3 MET 20 2HB MET 20 -12.672 -15.431 -3.991 124 HG2 MET 20 1HG MET 20 -13.602 -14.124 -5.981 125 HG3 MET 20 2HG MET 20 -13.217 -15.557 -6.931 126 HE1 MET 20 1HE MET 20 -16.299 -14.976 -3.674 127 HE2 MET 20 2HE MET 20 -14.897 -15.844 -3.047 128 HE3 MET 20 3HE MET 20 -14.693 -14.256 -3.787 129 H ASN 21 H ASN 21 -11.482 -12.179 -5.920 130 HA ASN 21 HA ASN 21 -11.622 -10.128 -4.939 131 HB2 ASN 21 1HB ASN 21 -13.010 -11.690 -2.749 132 HB3 ASN 21 2HB ASN 21 -13.143 -9.957 -3.034 133 HD21 ASN 21 1HD2 ASN 21 -14.946 -9.398 -3.989 134 HD22 ASN 21 2HD2 ASN 21 -15.828 -10.334 -5.143 135 H THR 22 H THR 22 -9.168 -11.330 -4.543 136 HA THR 22 HA THR 22 -8.395 -10.149 -1.978 137 HB THR 22 HB THR 22 -7.021 -11.985 -1.320 138 HG1 THR 22 1HG THR 22 -6.204 -12.905 -3.101 139 HG21 THR 22 1HG2 THR 22 -8.689 -13.261 -0.512 140 HG22 THR 22 2HG2 THR 22 -9.292 -13.659 -2.121 141 HG23 THR 22 3HG2 THR 22 -9.749 -12.135 -1.360 142 H ALA 23 H ALA 23 -6.754 -8.791 -2.242 143 HA ALA 23 HA ALA 23 -5.124 -9.018 -4.679 144 HB1 ALA 23 1HB ALA 23 -4.508 -6.577 -3.888 145 HB2 ALA 23 2HB ALA 23 -5.988 -6.906 -4.791 146 HB3 ALA 23 3HB ALA 23 -6.047 -6.717 -3.038 147 H LEU 24 H LEU 24 -3.236 -9.992 -4.366 148 HA LEU 24 HA LEU 24 -1.994 -10.131 -1.781 149 HB2 LEU 24 1HB LEU 24 -1.797 -12.036 -3.181 150 HB3 LEU 24 2HB LEU 24 -1.180 -11.070 -4.520 151 HG LEU 24 HG LEU 24 0.907 -10.704 -3.299 152 HD11 LEU 24 1HD1 LEU 24 0.920 -10.891 -1.089 153 HD12 LEU 24 2HD1 LEU 24 0.818 -12.641 -1.285 154 HD13 LEU 24 3HD1 LEU 24 -0.654 -11.688 -1.095 155 HD21 LEU 24 1HD2 LEU 24 1.245 -12.496 -4.652 156 HD22 LEU 24 2HD2 LEU 24 -0.087 -13.419 -3.955 157 HD23 LEU 24 3HD2 LEU 24 1.450 -13.300 -3.096 158 H LEU 25 H LEU 25 -0.740 -8.616 -0.937 159 HA LEU 25 HA LEU 25 0.505 -6.639 -2.700 160 HB2 LEU 25 1HB LEU 25 0.184 -6.639 0.297 161 HB3 LEU 25 2HB LEU 25 0.836 -5.319 -0.671 162 HG LEU 25 HG LEU 25 -2.000 -6.341 -0.807 163 HD11 LEU 25 1HD1 LEU 25 -1.829 -3.657 0.069 164 HD12 LEU 25 2HD1 LEU 25 -0.738 -4.617 1.068 165 HD13 LEU 25 3HD1 LEU 25 -2.440 -5.061 0.945 166 HD21 LEU 25 1HD2 LEU 25 -0.604 -4.027 -2.142 167 HD22 LEU 25 2HD2 LEU 25 -2.355 -4.240 -2.100 168 HD23 LEU 25 3HD2 LEU 25 -1.340 -5.428 -2.920 169 H GLN 26 H GLN 26 2.624 -6.615 -3.077 170 HA GLN 26 HA GLN 26 4.458 -7.843 -1.169 171 HB2 GLN 26 1HB GLN 26 4.386 -8.590 -4.097 172 HB3 GLN 26 2HB GLN 26 5.605 -9.109 -2.941 173 HG2 GLN 26 1HG GLN 26 3.788 -10.211 -1.636 174 HG3 GLN 26 2HG GLN 26 2.685 -9.823 -2.956 175 HE21 GLN 26 1HE2 GLN 26 5.146 -11.909 -1.824 176 HE22 GLN 26 2HE2 GLN 26 5.195 -12.966 -3.190 177 H TRP 27 H TRP 27 5.929 -6.348 -0.745 178 HA TRP 27 HA TRP 27 6.970 -4.728 -2.971 179 HB2 TRP 27 1HB TRP 27 7.132 -2.798 -1.434 180 HB3 TRP 27 2HB TRP 27 5.466 -3.321 -1.671 181 HD1 TRP 27 HD TRP 27 8.226 -3.228 0.984 182 HE1 TRP 27 1HE TRP 27 7.158 -3.625 3.292 183 HE3 TRP 27 3HE TRP 27 3.480 -4.401 -0.511 184 HZ2 TRP 27 2HZ TRP 27 4.637 -4.342 4.340 185 HZ3 TRP 27 3HZ TRP 27 1.800 -4.930 1.207 186 HH2 TRP 27 HH TRP 27 2.368 -4.902 3.581 187 H HIS 28 H HIS 28 9.053 -3.540 -2.176 188 HA HIS 28 HA HIS 28 10.631 -5.245 -0.396 189 HB2 HIS 28 1HB HIS 28 11.150 -4.755 -3.302 190 HB3 HIS 28 2HB HIS 28 12.519 -4.926 -2.208 191 HD1 HIS 28 1HD HIS 28 12.797 -7.258 -1.028 192 HD2 HIS 28 2HD HIS 28 9.837 -7.103 -3.938 193 HE1 HIS 28 1HE HIS 28 12.233 -9.654 -1.541 194 HE2 HIS 28 2HE HIS 28 10.501 -9.536 -3.365 195 HA PRO 29 HA PRO 29 12.395 -1.501 1.056 196 HB2 PRO 29 1HB PRO 29 14.954 -2.237 1.585 197 HB3 PRO 29 2HB PRO 29 13.581 -2.762 2.567 198 HG2 PRO 29 1HG PRO 29 15.032 -4.231 0.399 199 HG3 PRO 29 2HG PRO 29 14.467 -4.827 1.971 200 HD2 PRO 29 1HD PRO 29 13.119 -5.289 -0.331 201 HD3 PRO 29 2HD PRO 29 12.301 -5.097 1.232 202 HA PRO 30 HA PRO 30 14.224 0.488 -2.457 203 HB2 PRO 30 1HB PRO 30 14.763 2.870 -1.272 204 HB3 PRO 30 2HB PRO 30 13.133 2.382 -1.750 205 HG2 PRO 30 1HG PRO 30 14.426 2.279 0.948 206 HG3 PRO 30 2HG PRO 30 12.786 2.793 0.513 207 HD2 PRO 30 1HD PRO 30 13.321 0.344 1.538 208 HD3 PRO 30 2HD PRO 30 12.007 0.627 0.378 209 H LYS 31 H LYS 31 16.244 1.912 -2.848 210 HA LYS 31 HA LYS 31 18.498 0.716 -1.375 211 HB2 LYS 31 1HB LYS 31 18.210 0.161 -3.844 212 HB3 LYS 31 2HB LYS 31 18.611 1.842 -4.171 213 HG2 LYS 31 1HG LYS 31 20.721 1.344 -2.741 214 HG3 LYS 31 2HG LYS 31 20.340 -0.341 -3.100 215 HD2 LYS 31 1HD LYS 31 21.687 0.119 -4.883 216 HD3 LYS 31 2HD LYS 31 20.137 0.620 -5.564 217 HE2 LYS 31 1HE LYS 31 20.604 2.931 -4.980 218 HE3 LYS 31 2HE LYS 31 22.118 2.452 -4.215 219 HZ1 LYS 31 1HZ LYS 31 23.145 2.492 -6.164 220 HZ2 LYS 31 2HZ LYS 31 21.757 3.182 -6.840 221 HZ3 LYS 31 3HZ LYS 31 21.978 1.505 -6.890 222 H GLU 32 H GLU 32 16.990 3.650 -2.407 223 HA GLU 32 HA GLU 32 19.298 5.282 -1.720 224 HB2 GLU 32 1HB GLU 32 16.526 6.104 -2.604 225 HB3 GLU 32 2HB GLU 32 17.909 7.175 -2.428 226 HG2 GLU 32 1HG GLU 32 19.059 5.661 -4.141 227 HG3 GLU 32 2HG GLU 32 17.443 5.038 -4.472 228 H LEU 33 H LEU 33 18.246 3.737 0.400 229 HA LEU 33 HA LEU 33 16.837 5.686 2.076 230 HB2 LEU 33 1HB LEU 33 15.958 3.369 1.884 231 HB3 LEU 33 2HB LEU 33 17.443 2.786 2.633 232 HG LEU 33 HG LEU 33 15.846 4.803 4.120 233 HD11 LEU 33 1HD1 LEU 33 14.210 3.140 3.201 234 HD12 LEU 33 2HD1 LEU 33 14.296 3.212 4.961 235 HD13 LEU 33 3HD1 LEU 33 15.081 1.892 4.093 236 HD21 LEU 33 1HD2 LEU 33 16.923 2.324 5.320 237 HD22 LEU 33 2HD2 LEU 33 16.939 3.981 5.925 238 HD23 LEU 33 3HD2 LEU 33 18.098 3.480 4.693 239 HA PRO 34 HA PRO 34 20.909 6.555 3.774 240 HB2 PRO 34 1HB PRO 34 20.094 8.698 5.227 241 HB3 PRO 34 2HB PRO 34 20.416 8.781 3.491 242 HG2 PRO 34 1HG PRO 34 17.799 8.518 4.921 243 HG3 PRO 34 2HG PRO 34 18.217 9.537 3.532 244 HD2 PRO 34 1HD PRO 34 16.891 7.190 3.271 245 HD3 PRO 34 2HD PRO 34 18.011 7.797 2.034 246 H GLY 35 H GLY 35 21.145 4.762 5.123 247 HA2 GLY 35 1HA GLY 35 21.569 4.607 7.596 248 HA3 GLY 35 2HA GLY 35 19.865 4.995 7.776 249 H GLU 36 H GLU 36 18.533 3.337 8.055 250 HA GLU 36 HA GLU 36 18.973 0.823 6.693 251 HB2 GLU 36 1HB GLU 36 19.153 -0.557 8.623 252 HB3 GLU 36 2HB GLU 36 20.355 0.715 8.799 253 HG2 GLU 36 1HG GLU 36 17.677 1.118 10.020 254 HG3 GLU 36 2HG GLU 36 18.801 0.002 10.793 255 H LEU 37 H LEU 37 17.128 -0.443 6.551 256 HA LEU 37 HA LEU 37 14.658 0.902 6.738 257 HB2 LEU 37 1HB LEU 37 15.234 -0.959 5.164 258 HB3 LEU 37 2HB LEU 37 15.085 -2.072 6.522 259 HG LEU 37 HG LEU 37 12.684 -1.136 6.727 260 HD11 LEU 37 1HD1 LEU 37 11.735 -0.036 4.956 261 HD12 LEU 37 2HD1 LEU 37 12.932 -0.626 3.803 262 HD13 LEU 37 3HD1 LEU 37 13.357 0.656 4.937 263 HD21 LEU 37 1HD2 LEU 37 13.671 -2.982 4.574 264 HD22 LEU 37 2HD2 LEU 37 11.952 -2.707 4.854 265 HD23 LEU 37 3HD2 LEU 37 12.957 -3.388 6.134 266 H LEU 38 H LEU 38 13.211 1.065 8.331 267 HA LEU 38 HA LEU 38 13.537 -0.674 10.686 268 HB2 LEU 38 1HB LEU 38 12.733 2.230 10.621 269 HB3 LEU 38 2HB LEU 38 12.756 1.214 12.061 270 HG LEU 38 HG LEU 38 15.207 1.850 10.426 271 HD11 LEU 38 1HD1 LEU 38 13.767 3.448 12.396 272 HD12 LEU 38 2HD1 LEU 38 15.028 3.915 11.256 273 HD13 LEU 38 3HD1 LEU 38 15.463 3.186 12.801 274 HD21 LEU 38 1HD2 LEU 38 16.274 0.445 11.774 275 HD22 LEU 38 2HD2 LEU 38 14.708 -0.060 12.409 276 HD23 LEU 38 3HD2 LEU 38 15.608 1.232 13.205 277 H GLY 39 H GLY 39 11.376 0.887 8.447 278 HA2 GLY 39 1HA GLY 39 9.330 -0.971 8.714 279 HA3 GLY 39 2HA GLY 39 8.947 0.347 9.812 280 H TYR 40 H TYR 40 7.079 0.097 8.086 281 HA TYR 40 HA TYR 40 7.252 2.438 6.445 282 HB2 TYR 40 1HB TYR 40 6.427 0.856 4.426 283 HB3 TYR 40 2HB TYR 40 8.108 1.324 4.659 284 HD1 TYR 40 1HD TYR 40 5.985 -1.227 6.375 285 HD2 TYR 40 2HD TYR 40 9.441 -0.454 4.016 286 HE1 TYR 40 1HE TYR 40 6.616 -3.599 6.534 287 HE2 TYR 40 2HE TYR 40 10.081 -2.824 4.168 288 HH TYR 40 HH TYR 40 8.224 -5.107 6.133 289 H ARG 41 H ARG 41 5.219 3.119 5.651 290 HA ARG 41 HA ARG 41 2.957 1.782 6.969 291 HB2 ARG 41 1HB ARG 41 3.198 4.030 7.738 292 HB3 ARG 41 2HB ARG 41 3.376 4.639 6.098 293 HG2 ARG 41 1HG ARG 41 0.981 3.685 5.767 294 HG3 ARG 41 2HG ARG 41 0.915 3.751 7.529 295 HD2 ARG 41 1HD ARG 41 1.851 6.139 6.004 296 HD3 ARG 41 2HD ARG 41 0.125 5.789 6.087 297 HE ARG 41 HE ARG 41 0.913 5.665 8.674 298 HH11 ARG 41 2HH1 ARG 41 1.289 8.046 6.162 299 HH12 ARG 41 1HH1 ARG 41 1.304 9.389 7.257 300 HH21 ARG 41 2HH2 ARG 41 0.930 7.425 10.125 301 HH22 ARG 41 1HH2 ARG 41 1.100 9.035 9.511 302 H LEU 42 H LEU 42 1.053 1.363 5.852 303 HA LEU 42 HA LEU 42 1.273 1.509 2.917 304 HB2 LEU 42 1HB LEU 42 1.234 -0.764 4.243 305 HB3 LEU 42 2HB LEU 42 -0.503 -0.465 4.269 306 HG LEU 42 HG LEU 42 1.236 -0.803 1.827 307 HD11 LEU 42 1HD1 LEU 42 0.097 -2.848 1.488 308 HD12 LEU 42 2HD1 LEU 42 -1.065 -2.497 2.768 309 HD13 LEU 42 3HD1 LEU 42 0.616 -2.842 3.173 310 HD21 LEU 42 1HD2 LEU 42 -1.534 0.207 2.189 311 HD22 LEU 42 2HD2 LEU 42 -1.211 -0.857 0.820 312 HD23 LEU 42 3HD2 LEU 42 -0.312 0.651 0.997 313 H GLN 43 H GLN 43 -0.374 2.381 1.775 314 HA GLN 43 HA GLN 43 -2.873 3.012 3.173 315 HB2 GLN 43 1HB GLN 43 -1.219 4.976 1.579 316 HB3 GLN 43 2HB GLN 43 -2.858 5.278 2.140 317 HG2 GLN 43 1HG GLN 43 -2.136 5.114 4.442 318 HG3 GLN 43 2HG GLN 43 -0.500 4.711 3.922 319 HE21 GLN 43 1HE2 GLN 43 -2.721 7.194 4.595 320 HE22 GLN 43 2HE2 GLN 43 -1.715 8.533 4.172 321 H TYR 44 H TYR 44 -4.436 2.065 2.057 322 HA TYR 44 HA TYR 44 -4.489 2.376 -0.853 323 HB2 TYR 44 1HB TYR 44 -5.063 0.033 -1.198 324 HB3 TYR 44 2HB TYR 44 -3.499 0.160 -0.400 325 HD1 TYR 44 1HD TYR 44 -7.118 -0.318 0.375 326 HD2 TYR 44 2HD TYR 44 -3.092 -1.099 1.506 327 HE1 TYR 44 1HE TYR 44 -7.916 -1.810 2.160 328 HE2 TYR 44 2HE TYR 44 -3.878 -2.595 3.294 329 HH TYR 44 HH TYR 44 -5.674 -3.288 4.456 330 H CYS 45 H CYS 45 -6.466 2.810 -1.645 331 HA CYS 45 HA CYS 45 -8.858 2.082 -0.186 332 HB2 CYS 45 1HB CYS 45 -9.697 4.447 -0.166 333 HB3 CYS 45 2HB CYS 45 -8.365 4.142 0.942 334 HG CYS 45 HG CYS 45 -7.900 6.648 -0.062 335 H ARG 46 H ARG 46 -10.850 2.859 -1.393 336 HA ARG 46 HA ARG 46 -10.631 2.052 -4.105 337 HB2 ARG 46 1HB ARG 46 -12.841 3.053 -2.359 338 HB3 ARG 46 2HB ARG 46 -13.091 2.999 -4.099 339 HG2 ARG 46 1HG ARG 46 -12.304 0.555 -3.920 340 HG3 ARG 46 2HG ARG 46 -12.625 0.741 -2.195 341 HD2 ARG 46 1HD ARG 46 -14.662 1.426 -4.296 342 HD3 ARG 46 2HD ARG 46 -14.505 -0.199 -3.631 343 HE ARG 46 HE ARG 46 -14.732 1.689 -1.543 344 HH11 ARG 46 2HH1 ARG 46 -16.609 0.127 -4.024 345 HH12 ARG 46 1HH1 ARG 46 -18.102 0.252 -3.155 346 HH21 ARG 46 2HH2 ARG 46 -16.692 1.861 -0.389 347 HH22 ARG 46 1HH2 ARG 46 -18.149 1.240 -1.088 348 H ALA 47 H ALA 47 -11.330 3.305 -5.975 349 HA ALA 47 HA ALA 47 -9.988 5.811 -6.115 350 HB1 ALA 47 1HB ALA 47 -9.982 4.463 -8.063 351 HB2 ALA 47 2HB ALA 47 -11.742 4.339 -8.066 352 HB3 ALA 47 3HB ALA 47 -10.966 5.879 -8.434 353 H ASP 48 H ASP 48 -12.852 5.097 -4.731 354 HA ASP 48 HA ASP 48 -13.960 7.760 -5.335 355 HB2 ASP 48 1HB ASP 48 -15.225 5.583 -6.131 356 HB3 ASP 48 2HB ASP 48 -15.749 5.534 -4.449 357 H GLU 49 H GLU 49 -12.188 6.512 -3.153 358 HA GLU 49 HA GLU 49 -13.822 6.888 -0.781 359 HB2 GLU 49 1HB GLU 49 -11.176 5.747 -1.389 360 HB3 GLU 49 2HB GLU 49 -11.271 6.603 0.144 361 HG2 GLU 49 1HG GLU 49 -12.837 4.209 -0.750 362 HG3 GLU 49 2HG GLU 49 -11.750 4.359 0.629 363 H ALA 50 H ALA 50 -12.934 8.274 1.003 364 HA ALA 50 HA ALA 50 -12.111 10.858 -0.124 365 HB1 ALA 50 1HB ALA 50 -13.416 10.246 2.526 366 HB2 ALA 50 2HB ALA 50 -13.032 11.853 1.907 367 HB3 ALA 50 3HB ALA 50 -14.232 10.855 1.085 368 H ARG 51 H ARG 51 -11.293 8.463 2.311 369 HA ARG 51 HA ARG 51 -8.680 9.759 2.621 370 HB2 ARG 51 1HB ARG 51 -10.451 10.117 4.558 371 HB3 ARG 51 2HB ARG 51 -9.927 8.505 5.023 372 HG2 ARG 51 1HG ARG 51 -7.846 9.201 5.628 373 HG3 ARG 51 2HG ARG 51 -7.836 10.536 4.473 374 HD2 ARG 51 1HD ARG 51 -9.681 11.546 5.961 375 HD3 ARG 51 2HD ARG 51 -9.139 10.382 7.170 376 HE ARG 51 HE ARG 51 -6.842 11.577 6.473 377 HH11 ARG 51 2HH1 ARG 51 -9.957 12.855 7.357 378 HH12 ARG 51 1HH1 ARG 51 -9.311 14.305 8.050 379 HH21 ARG 51 2HH2 ARG 51 -5.978 13.483 7.382 380 HH22 ARG 51 1HH2 ARG 51 -7.048 14.662 8.062 381 HA PRO 52 HA PRO 52 -7.325 5.633 1.767 382 HB2 PRO 52 1HB PRO 52 -4.694 6.023 2.309 383 HB3 PRO 52 2HB PRO 52 -5.468 6.611 0.833 384 HG2 PRO 52 1HG PRO 52 -4.820 8.093 3.352 385 HG3 PRO 52 2HG PRO 52 -4.616 8.607 1.667 386 HD2 PRO 52 1HD PRO 52 -6.696 9.422 3.198 387 HD3 PRO 52 2HD PRO 52 -6.836 9.186 1.444 388 H ASN 53 H ASN 53 -7.050 3.799 2.928 389 HA ASN 53 HA ASN 53 -7.251 3.924 5.773 390 HB2 ASN 53 1HB ASN 53 -6.994 1.669 3.794 391 HB3 ASN 53 2HB ASN 53 -6.964 1.372 5.530 392 HD21 ASN 53 1HD2 ASN 53 -8.893 1.839 2.811 393 HD22 ASN 53 2HD2 ASN 53 -10.423 1.944 3.605 394 H THR 54 H THR 54 -5.511 4.636 6.860 395 HA THR 54 HA THR 54 -2.824 4.049 6.072 396 HB THR 54 HB THR 54 -3.825 5.178 8.694 397 HG1 THR 54 1HG THR 54 -2.946 7.158 7.494 398 HG21 THR 54 1HG2 THR 54 -1.243 4.340 7.888 399 HG22 THR 54 2HG2 THR 54 -1.699 5.201 9.358 400 HG23 THR 54 3HG2 THR 54 -1.239 6.103 7.915 401 H ILE 55 H ILE 55 -1.444 2.523 6.812 402 HA ILE 55 HA ILE 55 -2.211 0.871 9.094 403 HB ILE 55 HB ILE 55 -1.494 -0.338 6.421 404 HG12 ILE 55 1HG1 ILE 55 -4.134 -0.458 7.888 405 HG13 ILE 55 2HG1 ILE 55 -3.800 0.658 6.568 406 HG21 ILE 55 1HG2 ILE 55 -2.608 -1.970 8.612 407 HG22 ILE 55 2HG2 ILE 55 -1.375 -2.363 7.416 408 HG23 ILE 55 3HG2 ILE 55 -0.956 -1.394 8.828 409 HD11 ILE 55 1HD1 ILE 55 -3.373 -1.273 5.097 410 HD12 ILE 55 2HD1 ILE 55 -3.825 -2.346 6.422 411 HD13 ILE 55 3HD1 ILE 55 -5.014 -1.237 5.739 412 H ASP 56 H ASP 56 -0.505 0.062 10.232 413 HA ASP 56 HA ASP 56 2.137 1.019 9.431 414 HB2 ASP 56 1HB ASP 56 1.435 1.597 11.681 415 HB3 ASP 56 2HB ASP 56 1.123 -0.096 12.053 416 H PHE 57 H PHE 57 3.862 -0.288 9.039 417 HA PHE 57 HA PHE 57 3.525 -3.181 9.358 418 HB2 PHE 57 1HB PHE 57 4.080 -1.714 6.798 419 HB3 PHE 57 2HB PHE 57 4.688 -3.349 7.032 420 HD1 PHE 57 1HD PHE 57 2.964 -5.142 7.701 421 HD2 PHE 57 2HD PHE 57 1.931 -1.374 6.014 422 HE1 PHE 57 1HE PHE 57 0.785 -6.052 7.012 423 HE2 PHE 57 2HE PHE 57 -0.251 -2.278 5.322 424 HZ PHE 57 HZ PHE 57 -0.826 -4.619 5.822 425 H GLY 58 H GLY 58 5.390 -4.300 9.797 426 HA2 GLY 58 1HA GLY 58 7.675 -2.662 10.556 427 HA3 GLY 58 2HA GLY 58 7.427 -4.355 10.954 428 H LYS 59 H LYS 59 9.861 -3.259 10.021 429 HA LYS 59 HA LYS 59 10.440 -3.377 7.358 430 HB2 LYS 59 1HB LYS 59 12.701 -4.153 8.002 431 HB3 LYS 59 2HB LYS 59 12.128 -2.827 9.004 432 HG2 LYS 59 1HG LYS 59 11.432 -4.561 10.695 433 HG3 LYS 59 2HG LYS 59 12.321 -5.737 9.725 434 HD2 LYS 59 1HD LYS 59 14.364 -4.424 9.999 435 HD3 LYS 59 2HD LYS 59 13.476 -3.232 10.952 436 HE2 LYS 59 1HE LYS 59 13.144 -4.744 12.723 437 HE3 LYS 59 2HE LYS 59 13.586 -6.132 11.730 438 HZ1 LYS 59 1HZ LYS 59 15.861 -5.123 11.603 439 HZ2 LYS 59 2HZ LYS 59 15.410 -5.686 13.133 440 HZ3 LYS 59 3HZ LYS 59 15.378 -4.028 12.799 441 H ASP 60 H ASP 60 9.647 -6.030 9.471 442 HA ASP 60 HA ASP 60 10.537 -8.105 7.722 443 HB2 ASP 60 1HB ASP 60 10.268 -8.448 10.152 444 HB3 ASP 60 2HB ASP 60 8.529 -8.223 9.983 445 H ASP 61 H ASP 61 7.458 -6.483 8.301 446 HA ASP 61 HA ASP 61 5.899 -8.167 6.637 447 HB2 ASP 61 1HB ASP 61 5.526 -5.461 7.859 448 HB3 ASP 61 2HB ASP 61 4.404 -5.998 6.612 449 H GLN 62 H GLN 62 6.842 -8.450 4.643 450 HA GLN 62 HA GLN 62 7.335 -6.065 3.012 451 HB2 GLN 62 1HB GLN 62 8.068 -8.951 2.489 452 HB3 GLN 62 2HB GLN 62 8.520 -7.579 1.486 453 HG2 GLN 62 1HG GLN 62 9.703 -6.647 3.509 454 HG3 GLN 62 2HG GLN 62 9.443 -8.216 4.270 455 HE21 GLN 62 1HE2 GLN 62 10.461 -7.090 1.058 456 HE22 GLN 62 2HE2 GLN 62 11.870 -8.085 0.969 457 H HIS 63 H HIS 63 4.900 -8.213 3.626 458 HA HIS 63 HA HIS 63 3.512 -7.469 1.190 459 HB2 HIS 63 1HB HIS 63 2.774 -9.963 0.979 460 HB3 HIS 63 2HB HIS 63 4.316 -9.457 0.295 461 HD1 HIS 63 1HD HIS 63 6.107 -11.073 0.779 462 HD2 HIS 63 2HD HIS 63 3.303 -10.934 3.842 463 HE1 HIS 63 1HE HIS 63 6.888 -12.750 2.483 464 HE2 HIS 63 2HE HIS 63 5.131 -12.710 4.287 465 H PHE 64 H PHE 64 1.210 -7.898 1.292 466 HA PHE 64 HA PHE 64 0.183 -8.531 3.962 467 HB2 PHE 64 1HB PHE 64 0.408 -6.047 3.733 468 HB3 PHE 64 2HB PHE 64 -0.720 -6.117 2.383 469 HD1 PHE 64 2HD PHE 64 -0.567 -7.490 5.854 470 HD2 PHE 64 1HD PHE 64 -2.843 -5.446 2.894 471 HE1 PHE 64 2HE PHE 64 -2.451 -7.319 7.426 472 HE2 PHE 64 1HE PHE 64 -4.730 -5.271 4.463 473 HZ PHE 64 HZ PHE 64 -4.536 -6.209 6.732 474 H THR 65 H THR 65 -1.655 -9.699 3.957 475 HA THR 65 HA THR 65 -2.715 -10.506 1.363 476 HB THR 65 HB THR 65 -3.317 -11.603 4.117 477 HG1 THR 65 1HG THR 65 -1.391 -12.198 2.164 478 HG21 THR 65 1HG2 THR 65 -3.948 -13.590 2.429 479 HG22 THR 65 2HG2 THR 65 -4.339 -12.208 1.405 480 HG23 THR 65 3HG2 THR 65 -5.117 -12.390 2.977 481 H VAL 66 H VAL 66 -4.226 -9.166 0.582 482 HA VAL 66 HA VAL 66 -6.242 -8.070 2.414 483 HB VAL 66 HB VAL 66 -5.589 -7.283 -0.430 484 HG11 VAL 66 1HG1 VAL 66 -7.499 -6.040 1.547 485 HG12 VAL 66 2HG1 VAL 66 -7.090 -5.387 -0.040 486 HG13 VAL 66 3HG1 VAL 66 -7.943 -6.926 0.089 487 HG21 VAL 66 1HG2 VAL 66 -3.807 -6.521 0.871 488 HG22 VAL 66 2HG2 VAL 66 -4.892 -5.133 0.793 489 HG23 VAL 66 3HG2 VAL 66 -4.848 -6.137 2.242 490 H THR 67 H THR 67 -8.184 -8.969 2.486 491 HA THR 67 HA THR 67 -9.213 -10.331 0.088 492 HB THR 67 HB THR 67 -10.179 -12.099 1.444 493 HG1 THR 67 1HG THR 67 -8.878 -10.829 3.643 494 HG21 THR 67 1HG2 THR 67 -7.468 -12.221 2.552 495 HG22 THR 67 2HG2 THR 67 -7.526 -11.857 0.828 496 HG23 THR 67 3HG2 THR 67 -8.290 -13.321 1.446 497 H GLY 68 H GLY 68 -11.497 -10.364 -0.132 498 HA2 GLY 68 1HA GLY 68 -13.700 -9.769 0.489 499 HA3 GLY 68 2HA GLY 68 -13.040 -8.752 1.762 500 H LEU 69 H LEU 69 -11.602 -8.494 -1.351 501 HA LEU 69 HA LEU 69 -12.441 -5.751 -1.563 502 HB2 LEU 69 1HB LEU 69 -10.774 -7.508 -3.354 503 HB3 LEU 69 2HB LEU 69 -11.092 -5.803 -3.670 504 HG LEU 69 HG LEU 69 -9.684 -6.821 -1.205 505 HD11 LEU 69 1HD1 LEU 69 -8.172 -7.381 -2.857 506 HD12 LEU 69 2HD1 LEU 69 -7.687 -5.734 -2.456 507 HD13 LEU 69 3HD1 LEU 69 -8.652 -6.042 -3.900 508 HD21 LEU 69 1HD2 LEU 69 -10.909 -4.473 -1.475 509 HD22 LEU 69 2HD2 LEU 69 -9.384 -4.068 -2.264 510 HD23 LEU 69 3HD2 LEU 69 -9.389 -4.652 -0.599 511 H HIS 70 H HIS 70 -13.872 -4.859 -2.972 512 HA HIS 70 HA HIS 70 -15.876 -6.564 -4.087 513 HB2 HIS 70 1HB HIS 70 -15.430 -3.620 -3.904 514 HB3 HIS 70 2HB HIS 70 -16.567 -4.211 -5.113 515 HD1 HIS 70 1HD HIS 70 -18.737 -3.524 -4.065 516 HD2 HIS 70 2HD HIS 70 -16.295 -5.623 -1.439 517 HE1 HIS 70 1HE HIS 70 -20.150 -3.952 -2.029 518 HE2 HIS 70 2HE HIS 70 -18.625 -5.148 -0.421 519 H LYS 71 H LYS 71 -16.001 -7.396 -6.067 520 HA LYS 71 HA LYS 71 -13.873 -7.100 -7.923 521 HB2 LYS 71 1HB LYS 71 -16.426 -8.602 -7.802 522 HB3 LYS 71 2HB LYS 71 -15.776 -8.297 -9.407 523 HG2 LYS 71 1HG LYS 71 -13.568 -9.225 -8.404 524 HG3 LYS 71 2HG LYS 71 -14.632 -9.920 -7.179 525 HD2 LYS 71 1HD LYS 71 -15.887 -11.095 -8.875 526 HD3 LYS 71 2HD LYS 71 -14.953 -10.313 -10.154 527 HE2 LYS 71 1HE LYS 71 -13.883 -12.339 -10.015 528 HE3 LYS 71 2HE LYS 71 -12.918 -11.379 -8.893 529 HZ1 LYS 71 1HZ LYS 71 -14.803 -13.545 -8.342 530 HZ2 LYS 71 2HZ LYS 71 -14.692 -12.298 -7.205 531 HZ3 LYS 71 3HZ LYS 71 -13.317 -13.194 -7.613 532 H GLY 72 H GLY 72 -14.013 -6.324 -10.115 533 HA2 GLY 72 1HA GLY 72 -14.525 -4.749 -11.704 534 HA3 GLY 72 2HA GLY 72 -16.181 -4.841 -11.124 535 H THR 73 H THR 73 -13.442 -3.894 -9.143 536 HA THR 73 HA THR 73 -14.363 -1.103 -9.227 537 HB THR 73 HB THR 73 -13.759 -2.673 -6.714 538 HG1 THR 73 1HG THR 73 -16.065 -1.641 -6.441 539 HG21 THR 73 1HG2 THR 73 -14.487 -0.510 -5.601 540 HG22 THR 73 2HG2 THR 73 -14.261 0.261 -7.171 541 HG23 THR 73 3HG2 THR 73 -12.894 -0.499 -6.356 542 H THR 74 H THR 74 -12.785 0.432 -9.090 543 HA THR 74 HA THR 74 -10.052 -0.507 -9.397 544 HB THR 74 HB THR 74 -11.185 2.289 -9.609 545 HG1 THR 74 1HG THR 74 -10.800 1.850 -11.894 546 HG21 THR 74 1HG2 THR 74 -8.447 1.228 -9.667 547 HG22 THR 74 2HG2 THR 74 -9.021 2.870 -9.376 548 HG23 THR 74 3HG2 THR 74 -8.858 2.272 -11.027 549 H TYR 75 H TYR 75 -8.355 -0.021 -8.050 550 HA TYR 75 HA TYR 75 -8.979 1.419 -5.564 551 HB2 TYR 75 1HB TYR 75 -7.820 -1.323 -5.887 552 HB3 TYR 75 2HB TYR 75 -7.332 -0.336 -4.515 553 HD1 TYR 75 1HD TYR 75 -8.919 0.223 -2.755 554 HD2 TYR 75 2HD TYR 75 -10.077 -2.194 -6.060 555 HE1 TYR 75 1HE TYR 75 -10.941 -0.465 -1.536 556 HE2 TYR 75 2HE TYR 75 -12.103 -2.888 -4.850 557 HH TYR 75 HH TYR 75 -13.022 -2.995 -2.708 558 H ILE 76 H ILE 76 -7.064 2.205 -4.419 559 HA ILE 76 HA ILE 76 -4.745 2.594 -6.190 560 HB ILE 76 HB ILE 76 -5.886 4.723 -4.380 561 HG12 ILE 76 1HG1 ILE 76 -5.931 4.961 -7.352 562 HG13 ILE 76 2HG1 ILE 76 -7.150 3.945 -6.590 563 HG21 ILE 76 1HG2 ILE 76 -4.246 5.809 -6.380 564 HG22 ILE 76 2HG2 ILE 76 -3.910 5.696 -4.653 565 HG23 ILE 76 3HG2 ILE 76 -3.382 4.412 -5.740 566 HD11 ILE 76 1HD1 ILE 76 -8.052 6.131 -6.897 567 HD12 ILE 76 2HD1 ILE 76 -7.782 5.881 -5.172 568 HD13 ILE 76 3HD1 ILE 76 -6.661 6.871 -6.106 569 H PHE 77 H PHE 77 -3.168 1.464 -5.244 570 HA PHE 77 HA PHE 77 -2.947 1.435 -2.331 571 HB2 PHE 77 1HB PHE 77 -1.696 -0.200 -4.527 572 HB3 PHE 77 2HB PHE 77 -1.063 -0.240 -2.884 573 HD1 PHE 77 1HD PHE 77 -3.927 -1.064 -5.025 574 HD2 PHE 77 2HD PHE 77 -2.244 -1.348 -1.125 575 HE1 PHE 77 1HE PHE 77 -5.614 -2.750 -4.423 576 HE2 PHE 77 2HE PHE 77 -3.929 -3.035 -0.518 577 HZ PHE 77 HZ PHE 77 -5.616 -3.739 -2.167 578 H ARG 78 H ARG 78 -1.192 2.209 -1.211 579 HA ARG 78 HA ARG 78 0.976 3.476 -2.706 580 HB2 ARG 78 1HB ARG 78 -0.910 4.881 -0.833 581 HB3 ARG 78 2HB ARG 78 0.727 5.472 -1.085 582 HG2 ARG 78 1HG ARG 78 0.171 5.478 -3.568 583 HG3 ARG 78 2HG ARG 78 -1.510 5.271 -3.072 584 HD2 ARG 78 1HD ARG 78 -0.983 7.310 -1.516 585 HD3 ARG 78 2HD ARG 78 0.322 7.593 -2.668 586 HE ARG 78 HE ARG 78 -1.803 7.319 -4.282 587 HH11 ARG 78 2HH1 ARG 78 -1.289 9.216 -1.408 588 HH12 ARG 78 1HH1 ARG 78 -2.374 10.478 -1.890 589 HH21 ARG 78 2HH2 ARG 78 -3.233 8.975 -4.928 590 HH22 ARG 78 1HH2 ARG 78 -3.480 10.340 -3.892 591 H LEU 79 H LEU 79 2.918 3.340 -1.713 592 HA LEU 79 HA LEU 79 2.996 2.562 1.115 593 HB2 LEU 79 1HB LEU 79 3.174 0.539 -0.291 594 HB3 LEU 79 2HB LEU 79 4.593 1.234 -1.071 595 HG LEU 79 HG LEU 79 5.628 1.272 1.276 596 HD11 LEU 79 1HD1 LEU 79 3.116 0.497 2.045 597 HD12 LEU 79 2HD1 LEU 79 4.583 0.333 3.010 598 HD13 LEU 79 3HD1 LEU 79 4.006 -1.026 2.045 599 HD21 LEU 79 1HD2 LEU 79 5.549 -1.512 0.880 600 HD22 LEU 79 2HD2 LEU 79 6.776 -0.372 0.328 601 HD23 LEU 79 3HD2 LEU 79 5.410 -0.772 -0.715 602 H ALA 80 H ALA 80 5.056 2.948 2.149 603 HA ALA 80 HA ALA 80 6.982 4.592 0.718 604 HB1 ALA 80 1HB ALA 80 5.339 6.222 1.487 605 HB2 ALA 80 2HB ALA 80 5.521 5.638 3.141 606 HB3 ALA 80 3HB ALA 80 6.875 6.424 2.330 607 H ALA 81 H ALA 81 9.003 4.734 1.742 608 HA ALA 81 HA ALA 81 9.499 2.593 3.645 609 HB1 ALA 81 1HB ALA 81 10.922 3.630 1.500 610 HB2 ALA 81 2HB ALA 81 11.827 4.149 2.922 611 HB3 ALA 81 3HB ALA 81 11.491 2.437 2.668 612 H LYS 82 H LYS 82 10.537 2.865 5.640 613 HA LYS 82 HA LYS 82 10.575 5.617 6.688 614 HB2 LYS 82 1HB LYS 82 8.640 3.994 7.421 615 HB3 LYS 82 2HB LYS 82 9.880 3.311 8.465 616 HG2 LYS 82 1HG LYS 82 10.234 5.828 9.138 617 HG3 LYS 82 2HG LYS 82 8.573 5.979 8.561 618 HD2 LYS 82 1HD LYS 82 9.218 3.740 10.409 619 HD3 LYS 82 2HD LYS 82 9.128 5.371 11.079 620 HE2 LYS 82 1HE LYS 82 6.877 5.591 10.009 621 HE3 LYS 82 2HE LYS 82 6.978 3.886 9.576 622 HZ1 LYS 82 1HZ LYS 82 5.733 4.202 11.617 623 HZ2 LYS 82 2HZ LYS 82 7.053 4.977 12.337 624 HZ3 LYS 82 3HZ LYS 82 7.156 3.339 11.924 625 H ASN 83 H ASN 83 12.513 6.189 7.398 626 HA ASN 83 HA ASN 83 14.346 4.078 8.332 627 HB2 ASN 83 1HB ASN 83 16.203 5.489 7.545 628 HB3 ASN 83 2HB ASN 83 15.109 5.074 6.228 629 HD21 ASN 83 1HD2 ASN 83 16.348 6.969 5.341 630 HD22 ASN 83 2HD2 ASN 83 15.662 8.534 5.593 631 H ARG 84 H ARG 84 16.270 5.355 9.574 632 HA ARG 84 HA ARG 84 15.379 5.949 12.081 633 HB2 ARG 84 1HB ARG 84 17.846 6.752 10.586 634 HB3 ARG 84 2HB ARG 84 17.563 7.397 12.197 635 HG2 ARG 84 1HG ARG 84 17.483 4.452 11.637 636 HG3 ARG 84 2HG ARG 84 18.989 5.299 11.999 637 HD2 ARG 84 1HD ARG 84 16.539 5.232 13.758 638 HD3 ARG 84 2HD ARG 84 18.003 4.280 14.001 639 HE ARG 84 HE ARG 84 19.105 6.188 14.733 640 HH11 ARG 84 2HH1 ARG 84 15.904 6.954 13.599 641 HH12 ARG 84 1HH1 ARG 84 15.899 8.544 14.288 642 HH21 ARG 84 2HH2 ARG 84 19.110 8.279 15.645 643 HH22 ARG 84 1HH2 ARG 84 17.723 9.296 15.451 644 H ALA 85 H ALA 85 15.719 8.161 9.364 645 HA ALA 85 HA ALA 85 15.126 10.516 10.877 646 HB1 ALA 85 1HB ALA 85 16.152 10.010 8.367 647 HB2 ALA 85 2HB ALA 85 14.569 10.711 8.033 648 HB3 ALA 85 3HB ALA 85 15.732 11.593 9.022 649 H GLY 86 H GLY 86 13.259 8.254 8.920 650 HA2 GLY 86 1HA GLY 86 10.899 8.149 9.992 651 HA3 GLY 86 2HA GLY 86 10.824 9.816 9.440 652 H LEU 87 H LEU 87 8.927 8.996 8.254 653 HA LEU 87 HA LEU 87 9.219 7.127 6.140 654 HB2 LEU 87 1HB LEU 87 7.154 9.302 6.425 655 HB3 LEU 87 2HB LEU 87 7.032 7.857 5.424 656 HG LEU 87 HG LEU 87 7.356 7.556 8.376 657 HD11 LEU 87 1HD1 LEU 87 5.446 8.564 8.864 658 HD12 LEU 87 2HD1 LEU 87 4.599 7.483 7.758 659 HD13 LEU 87 3HD1 LEU 87 5.232 9.021 7.174 660 HD21 LEU 87 1HD2 LEU 87 5.462 5.915 6.864 661 HD22 LEU 87 2HD2 LEU 87 6.734 5.439 7.989 662 HD23 LEU 87 3HD2 LEU 87 7.131 5.794 6.307 663 H GLY 88 H GLY 88 9.282 7.489 3.888 664 HA2 GLY 88 1HA GLY 88 10.319 10.152 3.132 665 HA3 GLY 88 2HA GLY 88 10.970 8.656 2.479 666 H GLU 89 H GLU 89 10.529 8.993 0.346 667 HA GLU 89 HA GLU 89 8.216 10.108 -0.728 668 HB2 GLU 89 1HB GLU 89 10.363 8.324 -1.772 669 HB3 GLU 89 2HB GLU 89 8.909 8.516 -2.741 670 HG2 GLU 89 1HG GLU 89 10.914 10.588 -1.940 671 HG3 GLU 89 2HG GLU 89 10.385 10.124 -3.556 672 H GLU 90 H GLU 90 6.533 9.008 -2.014 673 HA GLU 90 HA GLU 90 5.805 6.375 -0.924 674 HB2 GLU 90 1HB GLU 90 3.437 7.124 -0.847 675 HB3 GLU 90 2HB GLU 90 4.475 7.981 0.284 676 HG2 GLU 90 1HG GLU 90 4.301 9.959 -0.831 677 HG3 GLU 90 2HG GLU 90 4.036 9.185 -2.392 678 H PHE 91 H PHE 91 5.020 4.939 -2.366 679 HA PHE 91 HA PHE 91 5.027 5.737 -5.166 680 HB2 PHE 91 1HB PHE 91 6.247 3.693 -4.388 681 HB3 PHE 91 2HB PHE 91 4.691 2.971 -3.992 682 HD1 PHE 91 2HD PHE 91 3.116 2.365 -5.771 683 HD2 PHE 91 1HD PHE 91 7.008 3.851 -6.641 684 HE1 PHE 91 2HE PHE 91 2.912 1.536 -8.078 685 HE2 PHE 91 1HE PHE 91 6.810 3.026 -8.951 686 HZ PHE 91 HZ PHE 91 4.761 1.865 -9.671 687 H GLU 92 H GLU 92 3.313 5.189 -6.615 688 HA GLU 92 HA GLU 92 0.705 4.740 -5.335 689 HB2 GLU 92 1HB GLU 92 0.941 7.142 -5.773 690 HB3 GLU 92 2HB GLU 92 1.298 6.805 -7.461 691 HG2 GLU 92 1HG GLU 92 -1.028 5.589 -7.372 692 HG3 GLU 92 2HG GLU 92 -1.287 6.671 -6.005 693 H LYS 93 H LYS 93 -0.557 3.288 -6.330 694 HA LYS 93 HA LYS 93 -0.069 2.624 -9.134 695 HB2 LYS 93 1HB LYS 93 1.125 1.093 -7.273 696 HB3 LYS 93 2HB LYS 93 -0.446 0.305 -7.322 697 HG2 LYS 93 1HG LYS 93 0.854 0.863 -9.920 698 HG3 LYS 93 2HG LYS 93 1.574 -0.392 -8.908 699 HD2 LYS 93 1HD LYS 93 -1.367 -0.467 -9.221 700 HD3 LYS 93 2HD LYS 93 -0.411 -0.865 -10.650 701 HE2 LYS 93 1HE LYS 93 0.342 -2.122 -8.064 702 HE3 LYS 93 2HE LYS 93 -1.114 -2.701 -8.872 703 HZ1 LYS 93 1HZ LYS 93 1.236 -3.719 -9.384 704 HZ2 LYS 93 2HZ LYS 93 1.322 -2.425 -10.468 705 HZ3 LYS 93 3HZ LYS 93 0.069 -3.554 -10.598 706 H GLU 94 H GLU 94 -1.863 1.921 -10.231 707 HA GLU 94 HA GLU 94 -4.366 1.817 -8.679 708 HB2 GLU 94 1HB GLU 94 -4.134 3.809 -10.163 709 HB3 GLU 94 2HB GLU 94 -4.033 2.724 -11.542 710 HG2 GLU 94 1HG GLU 94 -6.273 1.905 -11.092 711 HG3 GLU 94 2HG GLU 94 -6.379 2.940 -9.669 712 H ILE 95 H ILE 95 -5.621 0.065 -8.884 713 HA ILE 95 HA ILE 95 -5.132 -1.771 -11.125 714 HB ILE 95 HB ILE 95 -5.145 -3.701 -9.718 715 HG12 ILE 95 1HG1 ILE 95 -6.760 -2.973 -8.047 716 HG13 ILE 95 2HG1 ILE 95 -5.289 -3.524 -7.252 717 HG21 ILE 95 1HG2 ILE 95 -3.254 -2.678 -7.975 718 HG22 ILE 95 2HG2 ILE 95 -2.956 -3.315 -9.591 719 HG23 ILE 95 3HG2 ILE 95 -3.199 -1.584 -9.357 720 HD11 ILE 95 1HD1 ILE 95 -5.625 -1.627 -6.077 721 HD12 ILE 95 2HD1 ILE 95 -4.716 -0.933 -7.420 722 HD13 ILE 95 3HD1 ILE 95 -6.476 -0.825 -7.396 723 H ARG 96 H ARG 96 -6.889 -3.605 -11.000 724 HA ARG 96 HA ARG 96 -9.457 -2.646 -10.037 725 HB2 ARG 96 1HB ARG 96 -9.087 -1.653 -12.335 726 HB3 ARG 96 2HB ARG 96 -9.108 -3.295 -12.964 727 HG2 ARG 96 1HG ARG 96 -11.390 -3.555 -11.977 728 HG3 ARG 96 2HG ARG 96 -11.351 -1.832 -11.597 729 HD2 ARG 96 1HD ARG 96 -11.020 -1.333 -13.981 730 HD3 ARG 96 2HD ARG 96 -11.105 -3.057 -14.342 731 HE ARG 96 HE ARG 96 -13.433 -2.664 -13.100 732 HH11 ARG 96 2HH1 ARG 96 -11.852 -0.858 -15.622 733 HH12 ARG 96 1HH1 ARG 96 -13.332 -0.311 -16.338 734 HH21 ARG 96 2HH2 ARG 96 -15.388 -1.950 -14.034 735 HH22 ARG 96 1HH2 ARG 96 -15.343 -0.932 -15.433 736 H THR 97 H THR 97 -10.318 -4.335 -9.046 737 HA THR 97 HA THR 97 -9.446 -6.972 -9.268 738 HB THR 97 HB THR 97 -11.709 -7.539 -8.197 739 HG1 THR 97 1HG THR 97 -12.477 -5.321 -7.271 740 HG21 THR 97 1HG2 THR 97 -10.013 -7.419 -6.650 741 HG22 THR 97 2HG2 THR 97 -11.029 -6.085 -6.104 742 HG23 THR 97 3HG2 THR 97 -9.594 -5.761 -7.077 743 HA PRO 98 HA PRO 98 -11.297 -8.319 -13.051 744 HB2 PRO 98 1HB PRO 98 -10.974 -10.988 -12.677 745 HB3 PRO 98 2HB PRO 98 -9.641 -9.910 -13.105 746 HG2 PRO 98 1HG PRO 98 -10.413 -10.995 -10.424 747 HG3 PRO 98 2HG PRO 98 -8.801 -10.835 -11.143 748 HD2 PRO 98 1HD PRO 98 -9.765 -9.076 -9.325 749 HD3 PRO 98 2HD PRO 98 -8.652 -8.594 -10.622 750 H GLU 99 H GLU 99 -13.453 -8.065 -13.182 751 HA GLU 99 HA GLU 99 -15.385 -8.784 -11.360 752 HB2 GLU 99 1HB GLU 99 -15.756 -8.791 -14.358 753 HB3 GLU 99 2HB GLU 99 -17.005 -8.559 -13.143 754 HG2 GLU 99 1HG GLU 99 -15.543 -6.530 -12.424 755 HG3 GLU 99 2HG GLU 99 -14.872 -6.684 -14.046 756 H ASP 100 H ASP 100 -17.138 -10.440 -11.666 757 HA ASP 100 HA ASP 100 -15.933 -13.046 -11.769 758 HB2 ASP 100 1HB ASP 100 -18.219 -13.848 -11.197 759 HB3 ASP 100 2HB ASP 100 -17.625 -12.609 -10.094 760 H LEU 101 H LEU 101 -18.614 -11.510 -13.553 761 HA LEU 101 HA LEU 101 -18.460 -13.587 -15.587 762 HB2 LEU 101 1HB LEU 101 -20.551 -12.963 -16.244 763 HB3 LEU 101 2HB LEU 101 -20.594 -12.469 -14.553 764 HG LEU 101 HG LEU 101 -19.886 -10.148 -15.470 765 HD11 LEU 101 1HD1 LEU 101 -19.767 -11.467 -17.838 766 HD12 LEU 101 2HD1 LEU 101 -19.993 -9.727 -17.669 767 HD13 LEU 101 3HD1 LEU 101 -21.389 -10.778 -17.908 768 HD21 LEU 101 1HD2 LEU 101 -22.332 -11.352 -14.868 769 HD22 LEU 101 2HD2 LEU 101 -22.608 -10.457 -16.362 770 HD23 LEU 101 3HD2 LEU 101 -21.979 -9.626 -14.939 771 H SER 102 H SER 102 -18.018 -13.205 -17.763 772 HA SER 102 HA SER 102 -16.533 -10.717 -18.279 773 HB2 SER 102 1HB SER 102 -15.337 -11.984 -20.025 774 HB3 SER 102 2HB SER 102 -15.172 -12.751 -18.446 775 HG SER 102 HG SER 102 -17.088 -13.506 -20.398 776 H GLY 103 H GLY 103 -19.083 -12.814 -19.426 777 HA2 GLY 103 1HA GLY 103 -19.497 -11.950 -22.000 778 HA3 GLY 103 2HA GLY 103 -20.795 -12.403 -20.906 779 HA PRO 104 HA PRO 104 -20.251 -7.594 -21.472 780 HB2 PRO 104 1HB PRO 104 -20.716 -7.076 -24.096 781 HB3 PRO 104 2HB PRO 104 -19.093 -7.309 -23.436 782 HG2 PRO 104 1HG PRO 104 -20.840 -9.250 -24.900 783 HG3 PRO 104 2HG PRO 104 -19.102 -8.952 -25.082 784 HD2 PRO 104 1HD PRO 104 -20.080 -11.047 -23.673 785 HD3 PRO 104 2HD PRO 104 -18.561 -10.234 -23.245 786 H SER 105 H SER 105 -22.088 -6.642 -20.871 787 HA SER 105 HA SER 105 -24.599 -7.815 -21.043 788 HB2 SER 105 1HB SER 105 -23.634 -5.051 -20.425 789 HB3 SER 105 2HB SER 105 -25.364 -5.318 -20.643 790 HG SER 105 HG SER 105 -23.876 -5.837 -18.505 791 H SER 106 H SER 106 -23.357 -5.061 -22.936 792 HA SER 106 HA SER 106 -24.610 -5.938 -25.331 793 HB2 SER 106 1HB SER 106 -26.475 -4.871 -23.781 794 HB3 SER 106 2HB SER 106 -25.805 -3.362 -24.401 795 HG SER 106 HG SER 106 -27.459 -5.080 -25.611 796 H GLY 107 H GLY 107 -23.089 -5.392 -26.742 797 HA2 GLY 107 1HA GLY 107 -21.978 -3.812 -28.100 798 HA3 GLY 107 2HA GLY 107 -22.176 -2.615 -26.829 Start of MODEL 20 1 H1 GLY 1 H GLY 1 9.982 21.214 15.511 2 HA2 GLY 1 1HA GLY 1 9.359 18.875 15.368 3 HA3 GLY 1 2HA GLY 1 8.937 19.635 13.841 4 H SER 2 H SER 2 9.283 18.087 12.366 5 HA SER 2 HA SER 2 11.070 16.006 12.433 6 HB2 SER 2 1HB SER 2 9.959 17.539 10.082 7 HB3 SER 2 2HB SER 2 10.946 16.090 9.887 8 HG SER 2 HG SER 2 8.631 16.138 11.512 9 H SER 3 H SER 3 13.145 16.309 13.020 10 HA SER 3 HA SER 3 14.734 18.512 12.199 11 HB2 SER 3 1HB SER 3 15.053 17.017 14.261 12 HB3 SER 3 2HB SER 3 15.827 15.872 13.166 13 HG SER 3 HG SER 3 17.370 17.428 12.683 14 H GLY 4 H GLY 4 14.689 15.091 11.210 15 HA2 GLY 4 1HA GLY 4 16.565 15.636 9.057 16 HA3 GLY 4 2HA GLY 4 15.889 14.070 9.482 17 H SER 5 H SER 5 15.700 16.749 7.397 18 HA SER 5 HA SER 5 13.006 16.385 6.515 19 HB2 SER 5 1HB SER 5 15.368 17.875 5.368 20 HB3 SER 5 2HB SER 5 13.801 17.820 4.561 21 HG SER 5 HG SER 5 13.499 19.526 5.793 22 H SER 6 H SER 6 16.103 15.811 4.834 23 HA SER 6 HA SER 6 15.203 14.478 2.632 24 HB2 SER 6 1HB SER 6 17.711 14.147 4.258 25 HB3 SER 6 2HB SER 6 17.424 13.145 2.835 26 HG SER 6 HG SER 6 17.965 14.780 1.649 27 H GLY 7 H GLY 7 14.196 12.618 2.219 28 HA2 GLY 7 1HA GLY 7 14.188 10.553 4.333 29 HA3 GLY 7 2HA GLY 7 12.732 10.989 3.450 30 HA PRO 8 HA PRO 8 15.014 7.412 1.388 31 HB2 PRO 8 1HB PRO 8 13.080 5.543 1.759 32 HB3 PRO 8 2HB PRO 8 14.377 5.828 2.925 33 HG2 PRO 8 1HG PRO 8 11.549 6.809 2.960 34 HG3 PRO 8 2HG PRO 8 12.524 6.158 4.290 35 HD2 PRO 8 1HD PRO 8 12.127 8.813 3.938 36 HD3 PRO 8 2HD PRO 8 13.625 8.155 4.627 37 H GLY 9 H GLY 9 14.353 6.324 -0.580 38 HA2 GLY 9 1HA GLY 9 12.651 7.974 -2.194 39 HA3 GLY 9 2HA GLY 9 13.496 6.524 -2.715 40 H ARG 10 H ARG 10 11.398 6.289 -3.907 41 HA ARG 10 HA ARG 10 9.148 5.412 -2.294 42 HB2 ARG 10 1HB ARG 10 7.964 5.200 -4.422 43 HB3 ARG 10 2HB ARG 10 8.733 6.775 -4.288 44 HG2 ARG 10 1HG ARG 10 10.541 6.035 -5.736 45 HG3 ARG 10 2HG ARG 10 9.809 4.433 -5.844 46 HD2 ARG 10 1HD ARG 10 7.811 5.437 -6.867 47 HD3 ARG 10 2HD ARG 10 8.582 7.021 -6.791 48 HE ARG 10 HE ARG 10 10.352 5.489 -8.178 49 HH11 ARG 10 2HH1 ARG 10 6.971 6.237 -8.534 50 HH12 ARG 10 1HH1 ARG 10 6.987 6.092 -10.260 51 HH21 ARG 10 2HH2 ARG 10 10.386 5.296 -10.451 52 HH22 ARG 10 1HH2 ARG 10 8.929 5.556 -11.350 53 HA PRO 11 HA PRO 11 10.486 1.182 -2.367 54 HB2 PRO 11 1HB PRO 11 8.231 0.126 -1.285 55 HB3 PRO 11 2HB PRO 11 9.443 0.987 -0.329 56 HG2 PRO 11 1HG PRO 11 6.837 1.977 -1.420 57 HG3 PRO 11 2HG PRO 11 7.556 2.247 0.178 58 HD2 PRO 11 1HD PRO 11 7.661 4.096 -1.797 59 HD3 PRO 11 2HD PRO 11 8.951 3.913 -0.591 60 H THR 12 H THR 12 9.991 -0.761 -3.459 61 HA THR 12 HA THR 12 8.376 -0.372 -5.846 62 HB THR 12 HB THR 12 10.156 -2.688 -5.061 63 HG1 THR 12 1HG THR 12 11.711 -1.655 -6.143 64 HG21 THR 12 1HG2 THR 12 8.518 -2.098 -7.497 65 HG22 THR 12 2HG2 THR 12 8.710 -3.616 -6.618 66 HG23 THR 12 3HG2 THR 12 10.016 -3.016 -7.640 67 H MET 13 H MET 13 6.248 -0.645 -5.436 68 HA MET 13 HA MET 13 5.385 -2.939 -3.839 69 HB2 MET 13 1HB MET 13 4.461 -0.623 -3.436 70 HB3 MET 13 2HB MET 13 3.666 -0.745 -5.000 71 HG2 MET 13 1HG MET 13 2.193 -2.365 -4.278 72 HG3 MET 13 2HG MET 13 3.233 -2.861 -2.945 73 HE1 MET 13 1HE MET 13 2.316 0.917 -3.820 74 HE2 MET 13 2HE MET 13 0.955 -0.062 -4.367 75 HE3 MET 13 3HE MET 13 0.761 1.032 -2.997 76 H MET 14 H MET 14 4.367 -4.674 -4.674 77 HA MET 14 HA MET 14 3.605 -4.595 -7.515 78 HB2 MET 14 1HB MET 14 4.963 -6.922 -6.145 79 HB3 MET 14 2HB MET 14 4.497 -6.829 -7.838 80 HG2 MET 14 1HG MET 14 6.069 -4.867 -8.035 81 HG3 MET 14 2HG MET 14 6.653 -5.291 -6.427 82 HE1 MET 14 1HE MET 14 9.288 -5.640 -7.588 83 HE2 MET 14 2HE MET 14 8.616 -6.373 -6.132 84 HE3 MET 14 3HE MET 14 9.519 -7.361 -7.281 85 H ILE 15 H ILE 15 1.437 -4.637 -7.378 86 HA ILE 15 HA ILE 15 0.139 -6.424 -5.467 87 HB ILE 15 HB ILE 15 -1.114 -4.417 -7.344 88 HG12 ILE 15 1HG1 ILE 15 -0.955 -4.017 -4.391 89 HG13 ILE 15 2HG1 ILE 15 0.488 -3.702 -5.348 90 HG21 ILE 15 1HG2 ILE 15 -2.589 -5.155 -4.953 91 HG22 ILE 15 2HG2 ILE 15 -3.115 -5.098 -6.635 92 HG23 ILE 15 3HG2 ILE 15 -2.290 -6.529 -6.018 93 HD11 ILE 15 1HD1 ILE 15 -1.928 -2.133 -5.051 94 HD12 ILE 15 2HD1 ILE 15 -0.333 -1.663 -5.639 95 HD13 ILE 15 3HD1 ILE 15 -1.497 -2.399 -6.740 96 H SER 16 H SER 16 -0.843 -8.273 -6.014 97 HA SER 16 HA SER 16 -1.469 -8.794 -8.826 98 HB2 SER 16 1HB SER 16 0.310 -10.487 -7.075 99 HB3 SER 16 2HB SER 16 -0.509 -11.143 -8.492 100 HG SER 16 HG SER 16 0.729 -8.823 -9.093 101 H THR 17 H THR 17 -3.255 -10.039 -9.150 102 HA THR 17 HA THR 17 -4.712 -10.866 -6.730 103 HB THR 17 HB THR 17 -6.767 -10.680 -8.034 104 HG1 THR 17 1HG THR 17 -5.186 -10.889 -10.101 105 HG21 THR 17 1HG2 THR 17 -6.724 -8.590 -7.246 106 HG22 THR 17 2HG2 THR 17 -6.073 -8.095 -8.808 107 HG23 THR 17 3HG2 THR 17 -4.980 -8.472 -7.477 108 H THR 18 H THR 18 -4.689 -12.975 -6.354 109 HA THR 18 HA THR 18 -4.565 -14.820 -8.649 110 HB THR 18 HB THR 18 -2.694 -15.459 -7.523 111 HG1 THR 18 1HG THR 18 -3.462 -17.082 -5.787 112 HG21 THR 18 1HG2 THR 18 -2.596 -13.821 -5.832 113 HG22 THR 18 2HG2 THR 18 -2.559 -15.361 -4.972 114 HG23 THR 18 3HG2 THR 18 -4.053 -14.427 -5.046 115 H ALA 19 H ALA 19 -5.919 -14.466 -5.376 116 HA ALA 19 HA ALA 19 -7.883 -16.543 -5.917 117 HB1 ALA 19 1HB ALA 19 -7.874 -16.844 -3.717 118 HB2 ALA 19 2HB ALA 19 -6.607 -15.620 -3.609 119 HB3 ALA 19 3HB ALA 19 -8.299 -15.156 -3.430 120 H MET 20 H MET 20 -10.172 -15.956 -4.958 121 HA MET 20 HA MET 20 -11.166 -13.813 -6.614 122 HB2 MET 20 1HB MET 20 -12.669 -15.620 -4.712 123 HB3 MET 20 2HB MET 20 -13.377 -14.593 -5.952 124 HG2 MET 20 1HG MET 20 -13.405 -16.639 -6.978 125 HG3 MET 20 2HG MET 20 -11.885 -15.971 -7.569 126 HE1 MET 20 1HE MET 20 -12.209 -18.824 -4.021 127 HE2 MET 20 2HE MET 20 -13.345 -17.568 -4.512 128 HE3 MET 20 3HE MET 20 -13.344 -19.127 -5.337 129 H ASN 21 H ASN 21 -11.506 -11.790 -5.983 130 HA ASN 21 HA ASN 21 -11.743 -9.939 -4.683 131 HB2 ASN 21 1HB ASN 21 -12.887 -11.654 -2.496 132 HB3 ASN 21 2HB ASN 21 -13.330 -10.014 -2.962 133 HD21 ASN 21 1HD2 ASN 21 -14.797 -9.690 -4.573 134 HD22 ASN 21 2HD2 ASN 21 -15.696 -10.968 -5.312 135 H THR 22 H THR 22 -9.247 -11.093 -4.603 136 HA THR 22 HA THR 22 -8.354 -10.272 -1.949 137 HB THR 22 HB THR 22 -6.930 -12.182 -1.607 138 HG1 THR 22 1HG THR 22 -6.308 -13.122 -3.408 139 HG21 THR 22 1HG2 THR 22 -9.508 -13.472 -2.404 140 HG22 THR 22 2HG2 THR 22 -9.498 -12.259 -1.124 141 HG23 THR 22 3HG2 THR 22 -8.528 -13.722 -0.959 142 H ALA 23 H ALA 23 -6.692 -8.922 -2.118 143 HA ALA 23 HA ALA 23 -5.143 -8.923 -4.623 144 HB1 ALA 23 1HB ALA 23 -6.395 -6.869 -4.248 145 HB2 ALA 23 2HB ALA 23 -5.615 -6.665 -2.680 146 HB3 ALA 23 3HB ALA 23 -4.660 -6.568 -4.159 147 H LEU 24 H LEU 24 -3.254 -9.923 -4.387 148 HA LEU 24 HA LEU 24 -1.957 -10.183 -1.841 149 HB2 LEU 24 1HB LEU 24 -1.819 -11.989 -3.421 150 HB3 LEU 24 2HB LEU 24 -1.106 -10.927 -4.634 151 HG LEU 24 HG LEU 24 0.935 -10.765 -3.345 152 HD11 LEU 24 1HD1 LEU 24 -0.739 -12.003 -1.262 153 HD12 LEU 24 2HD1 LEU 24 0.608 -10.874 -1.120 154 HD13 LEU 24 3HD1 LEU 24 0.920 -12.592 -1.368 155 HD21 LEU 24 1HD2 LEU 24 -0.164 -13.328 -4.244 156 HD22 LEU 24 2HD2 LEU 24 1.205 -13.466 -3.142 157 HD23 LEU 24 3HD2 LEU 24 1.366 -12.545 -4.638 158 H LEU 25 H LEU 25 -0.828 -8.600 -0.942 159 HA LEU 25 HA LEU 25 0.449 -6.588 -2.638 160 HB2 LEU 25 1HB LEU 25 -0.037 -6.671 0.335 161 HB3 LEU 25 2HB LEU 25 0.760 -5.348 -0.514 162 HG LEU 25 HG LEU 25 -2.104 -6.212 -0.918 163 HD11 LEU 25 1HD1 LEU 25 -2.666 -4.119 0.210 164 HD12 LEU 25 2HD1 LEU 25 -0.956 -3.822 0.517 165 HD13 LEU 25 3HD1 LEU 25 -1.761 -5.199 1.269 166 HD21 LEU 25 1HD2 LEU 25 -1.521 -5.263 -2.937 167 HD22 LEU 25 2HD2 LEU 25 -0.358 -4.157 -2.204 168 HD23 LEU 25 3HD2 LEU 25 -2.088 -3.858 -2.033 169 H GLN 26 H GLN 26 2.560 -6.611 -3.021 170 HA GLN 26 HA GLN 26 4.385 -7.764 -1.058 171 HB2 GLN 26 1HB GLN 26 4.441 -8.589 -3.964 172 HB3 GLN 26 2HB GLN 26 5.518 -9.150 -2.691 173 HG2 GLN 26 1HG GLN 26 3.567 -10.161 -1.552 174 HG3 GLN 26 2HG GLN 26 2.568 -9.692 -2.927 175 HE21 GLN 26 1HE2 GLN 26 2.675 -12.293 -2.221 176 HE22 GLN 26 2HE2 GLN 26 3.568 -13.201 -3.388 177 H TRP 27 H TRP 27 5.880 -6.279 -0.690 178 HA TRP 27 HA TRP 27 6.887 -4.700 -2.961 179 HB2 TRP 27 1HB TRP 27 7.104 -2.758 -1.434 180 HB3 TRP 27 2HB TRP 27 5.430 -3.261 -1.653 181 HD1 TRP 27 HD TRP 27 8.195 -3.115 0.980 182 HE1 TRP 27 1HE TRP 27 7.149 -3.516 3.297 183 HE3 TRP 27 3HE TRP 27 3.468 -4.411 -0.475 184 HZ2 TRP 27 2HZ TRP 27 4.651 -4.281 4.367 185 HZ3 TRP 27 3HZ TRP 27 1.811 -4.964 1.258 186 HH2 TRP 27 HH TRP 27 2.392 -4.900 3.628 187 H HIS 28 H HIS 28 9.000 -3.529 -2.254 188 HA HIS 28 HA HIS 28 10.610 -5.225 -0.490 189 HB2 HIS 28 1HB HIS 28 11.101 -4.706 -3.404 190 HB3 HIS 28 2HB HIS 28 12.461 -4.969 -2.316 191 HD1 HIS 28 1HD HIS 28 12.905 -7.346 -1.544 192 HD2 HIS 28 2HD HIS 28 9.406 -6.969 -3.752 193 HE1 HIS 28 1HE HIS 28 12.161 -9.698 -2.031 194 HE2 HIS 28 2HE HIS 28 10.089 -9.444 -3.441 195 HA PRO 29 HA PRO 29 12.383 -1.466 0.914 196 HB2 PRO 29 1HB PRO 29 14.926 -2.229 1.479 197 HB3 PRO 29 2HB PRO 29 13.538 -2.714 2.460 198 HG2 PRO 29 1HG PRO 29 14.984 -4.248 0.334 199 HG3 PRO 29 2HG PRO 29 14.398 -4.804 1.913 200 HD2 PRO 29 1HD PRO 29 13.062 -5.291 -0.392 201 HD3 PRO 29 2HD PRO 29 12.233 -5.056 1.160 202 HA PRO 30 HA PRO 30 14.253 0.394 -2.656 203 HB2 PRO 30 1HB PRO 30 14.719 2.832 -1.557 204 HB3 PRO 30 2HB PRO 30 13.112 2.297 -2.061 205 HG2 PRO 30 1HG PRO 30 14.326 2.329 0.675 206 HG3 PRO 30 2HG PRO 30 12.691 2.797 0.171 207 HD2 PRO 30 1HD PRO 30 13.234 0.403 1.314 208 HD3 PRO 30 2HD PRO 30 11.951 0.615 0.106 209 H LYS 31 H LYS 31 16.266 1.775 -3.089 210 HA LYS 31 HA LYS 31 18.490 0.716 -1.474 211 HB2 LYS 31 1HB LYS 31 18.352 1.443 -4.401 212 HB3 LYS 31 2HB LYS 31 19.858 1.092 -3.563 213 HG2 LYS 31 1HG LYS 31 19.165 -1.155 -3.122 214 HG3 LYS 31 2HG LYS 31 17.546 -0.826 -3.745 215 HD2 LYS 31 1HD LYS 31 19.856 -0.319 -5.544 216 HD3 LYS 31 2HD LYS 31 19.416 -1.998 -5.222 217 HE2 LYS 31 1HE LYS 31 18.067 -1.625 -7.013 218 HE3 LYS 31 2HE LYS 31 16.988 -1.050 -5.742 219 HZ1 LYS 31 1HZ LYS 31 18.394 0.448 -7.799 220 HZ2 LYS 31 2HZ LYS 31 18.318 1.178 -6.276 221 HZ3 LYS 31 3HZ LYS 31 16.893 0.745 -7.078 222 H GLU 32 H GLU 32 16.975 3.557 -2.728 223 HA GLU 32 HA GLU 32 19.245 5.256 -2.058 224 HB2 GLU 32 1HB GLU 32 16.520 5.998 -3.136 225 HB3 GLU 32 2HB GLU 32 17.895 7.080 -2.976 226 HG2 GLU 32 1HG GLU 32 19.085 5.324 -4.496 227 HG3 GLU 32 2HG GLU 32 17.435 4.876 -4.924 228 H LEU 33 H LEU 33 18.060 3.842 0.098 229 HA LEU 33 HA LEU 33 16.565 5.895 1.559 230 HB2 LEU 33 1HB LEU 33 15.533 3.756 1.640 231 HB3 LEU 33 2HB LEU 33 17.051 2.971 2.068 232 HG LEU 33 HG LEU 33 15.919 4.990 3.943 233 HD11 LEU 33 1HD1 LEU 33 14.032 3.504 3.255 234 HD12 LEU 33 2HD1 LEU 33 14.452 3.414 4.965 235 HD13 LEU 33 3HD1 LEU 33 14.963 2.136 3.863 236 HD21 LEU 33 1HD2 LEU 33 17.731 4.243 5.011 237 HD22 LEU 33 2HD2 LEU 33 17.896 2.853 3.938 238 HD23 LEU 33 3HD2 LEU 33 16.801 2.776 5.319 239 HA PRO 34 HA PRO 34 20.473 6.952 3.475 240 HB2 PRO 34 1HB PRO 34 19.487 9.046 4.895 241 HB3 PRO 34 2HB PRO 34 19.869 9.148 3.172 242 HG2 PRO 34 1HG PRO 34 17.219 8.740 4.504 243 HG3 PRO 34 2HG PRO 34 17.632 9.782 3.130 244 HD2 PRO 34 1HD PRO 34 16.448 7.366 2.823 245 HD3 PRO 34 2HD PRO 34 17.577 8.035 1.628 246 H GLY 35 H GLY 35 20.718 5.142 4.818 247 HA2 GLY 35 1HA GLY 35 21.096 4.953 7.281 248 HA3 GLY 35 2HA GLY 35 19.395 5.363 7.453 249 H GLU 36 H GLU 36 18.629 3.541 8.395 250 HA GLU 36 HA GLU 36 18.885 1.057 6.832 251 HB2 GLU 36 1HB GLU 36 20.128 0.488 8.691 252 HB3 GLU 36 2HB GLU 36 19.197 1.526 9.762 253 HG2 GLU 36 1HG GLU 36 18.690 -0.683 10.382 254 HG3 GLU 36 2HG GLU 36 17.289 -0.092 9.489 255 H LEU 37 H LEU 37 17.071 -0.293 6.752 256 HA LEU 37 HA LEU 37 14.566 1.058 6.835 257 HB2 LEU 37 1HB LEU 37 15.176 -0.720 5.207 258 HB3 LEU 37 2HB LEU 37 15.094 -1.893 6.520 259 HG LEU 37 HG LEU 37 12.636 -0.903 6.737 260 HD11 LEU 37 1HD1 LEU 37 12.050 0.451 5.084 261 HD12 LEU 37 2HD1 LEU 37 12.269 -0.888 3.957 262 HD13 LEU 37 3HD1 LEU 37 13.604 0.217 4.283 263 HD21 LEU 37 1HD2 LEU 37 13.586 -3.262 6.124 264 HD22 LEU 37 2HD2 LEU 37 13.086 -2.816 4.492 265 HD23 LEU 37 3HD2 LEU 37 11.899 -2.867 5.796 266 H LEU 38 H LEU 38 13.089 1.158 8.404 267 HA LEU 38 HA LEU 38 13.404 -0.634 10.722 268 HB2 LEU 38 1HB LEU 38 12.461 2.230 10.705 269 HB3 LEU 38 2HB LEU 38 12.539 1.184 12.122 270 HG LEU 38 HG LEU 38 14.964 1.961 10.514 271 HD11 LEU 38 1HD1 LEU 38 15.018 3.956 11.479 272 HD12 LEU 38 2HD1 LEU 38 14.796 3.240 13.075 273 HD13 LEU 38 3HD1 LEU 38 13.392 3.660 12.095 274 HD21 LEU 38 1HD2 LEU 38 15.074 -0.075 11.943 275 HD22 LEU 38 2HD2 LEU 38 14.707 0.939 13.339 276 HD23 LEU 38 3HD2 LEU 38 16.193 1.200 12.425 277 H GLY 39 H GLY 39 11.201 1.014 8.549 278 HA2 GLY 39 1HA GLY 39 9.234 -0.969 8.676 279 HA3 GLY 39 2HA GLY 39 8.781 0.297 9.809 280 H TYR 40 H TYR 40 6.946 0.076 8.070 281 HA TYR 40 HA TYR 40 7.112 2.451 6.468 282 HB2 TYR 40 1HB TYR 40 6.265 0.881 4.442 283 HB3 TYR 40 2HB TYR 40 7.944 1.363 4.657 284 HD1 TYR 40 1HD TYR 40 5.869 -1.218 6.387 285 HD2 TYR 40 2HD TYR 40 9.280 -0.400 3.979 286 HE1 TYR 40 1HE TYR 40 6.524 -3.585 6.521 287 HE2 TYR 40 2HE TYR 40 9.944 -2.765 4.105 288 HH TYR 40 HH TYR 40 8.307 -5.111 4.627 289 H ARG 41 H ARG 41 5.077 3.150 5.696 290 HA ARG 41 HA ARG 41 2.818 1.805 7.012 291 HB2 ARG 41 1HB ARG 41 3.064 4.039 7.810 292 HB3 ARG 41 2HB ARG 41 3.251 4.671 6.180 293 HG2 ARG 41 1HG ARG 41 0.842 3.701 5.854 294 HG3 ARG 41 2HG ARG 41 0.787 3.819 7.614 295 HD2 ARG 41 1HD ARG 41 -0.101 5.846 6.738 296 HD3 ARG 41 2HD ARG 41 1.498 6.209 7.386 297 HE ARG 41 HE ARG 41 1.598 5.594 4.606 298 HH11 ARG 41 2HH1 ARG 41 0.825 8.109 6.887 299 HH12 ARG 41 1HH1 ARG 41 1.153 9.397 5.776 300 HH21 ARG 41 2HH2 ARG 41 2.033 7.282 3.135 301 HH22 ARG 41 1HH2 ARG 41 1.840 8.926 3.642 302 H LEU 42 H LEU 42 0.928 1.366 5.899 303 HA LEU 42 HA LEU 42 1.130 1.549 2.966 304 HB2 LEU 42 1HB LEU 42 1.044 -0.726 4.312 305 HB3 LEU 42 2HB LEU 42 -0.688 -0.402 4.284 306 HG LEU 42 HG LEU 42 1.117 -0.763 1.893 307 HD11 LEU 42 1HD1 LEU 42 -1.250 -2.461 2.361 308 HD12 LEU 42 2HD1 LEU 42 0.113 -2.703 3.453 309 HD13 LEU 42 3HD1 LEU 42 0.338 -2.873 1.712 310 HD21 LEU 42 1HD2 LEU 42 -1.726 0.138 2.154 311 HD22 LEU 42 2HD2 LEU 42 -1.194 -0.756 0.729 312 HD23 LEU 42 3HD2 LEU 42 -0.436 0.784 1.139 313 H GLN 43 H GLN 43 -0.454 2.539 1.860 314 HA GLN 43 HA GLN 43 -2.959 3.174 3.256 315 HB2 GLN 43 1HB GLN 43 -1.060 5.064 1.921 316 HB3 GLN 43 2HB GLN 43 -2.782 5.418 1.912 317 HG2 GLN 43 1HG GLN 43 -2.667 5.081 4.448 318 HG3 GLN 43 2HG GLN 43 -0.921 5.219 4.247 319 HE21 GLN 43 1HE2 GLN 43 -3.380 6.913 5.265 320 HE22 GLN 43 2HE2 GLN 43 -2.969 8.499 4.716 321 H TYR 44 H TYR 44 -4.560 2.290 2.143 322 HA TYR 44 HA TYR 44 -4.652 2.639 -0.753 323 HB2 TYR 44 1HB TYR 44 -5.123 0.314 -1.196 324 HB3 TYR 44 2HB TYR 44 -3.599 0.418 -0.322 325 HD1 TYR 44 1HD TYR 44 -7.249 -0.030 0.347 326 HD2 TYR 44 2HD TYR 44 -3.262 -1.012 1.460 327 HE1 TYR 44 1HE TYR 44 -8.113 -1.606 2.027 328 HE2 TYR 44 2HE TYR 44 -4.114 -2.592 3.142 329 HH TYR 44 HH TYR 44 -6.052 -3.829 3.691 330 H CYS 45 H CYS 45 -6.665 2.998 -1.513 331 HA CYS 45 HA CYS 45 -9.000 2.204 0.003 332 HB2 CYS 45 1HB CYS 45 -9.909 4.502 0.131 333 HB3 CYS 45 2HB CYS 45 -8.450 4.306 1.094 334 HG CYS 45 HG CYS 45 -6.791 5.563 -0.797 335 H ARG 46 H ARG 46 -11.025 3.264 -1.167 336 HA ARG 46 HA ARG 46 -11.063 2.206 -3.772 337 HB2 ARG 46 1HB ARG 46 -12.946 3.868 -2.147 338 HB3 ARG 46 2HB ARG 46 -13.264 3.645 -3.862 339 HG2 ARG 46 1HG ARG 46 -12.688 1.225 -2.253 340 HG3 ARG 46 2HG ARG 46 -14.244 2.023 -2.013 341 HD2 ARG 46 1HD ARG 46 -14.549 1.942 -4.507 342 HD3 ARG 46 2HD ARG 46 -13.115 0.920 -4.577 343 HE ARG 46 HE ARG 46 -14.398 -0.831 -3.880 344 HH11 ARG 46 2HH1 ARG 46 -16.018 2.137 -3.049 345 HH12 ARG 46 1HH1 ARG 46 -17.451 1.348 -2.480 346 HH21 ARG 46 2HH2 ARG 46 -16.280 -1.881 -3.133 347 HH22 ARG 46 1HH2 ARG 46 -17.599 -0.938 -2.527 348 H ALA 47 H ALA 47 -11.706 3.440 -5.742 349 HA ALA 47 HA ALA 47 -9.834 5.586 -6.169 350 HB1 ALA 47 1HB ALA 47 -11.397 3.770 -7.818 351 HB2 ALA 47 2HB ALA 47 -11.349 5.412 -8.460 352 HB3 ALA 47 3HB ALA 47 -9.847 4.546 -8.142 353 H ASP 48 H ASP 48 -12.728 5.595 -4.733 354 HA ASP 48 HA ASP 48 -13.385 8.286 -5.735 355 HB2 ASP 48 1HB ASP 48 -15.671 7.857 -5.713 356 HB3 ASP 48 2HB ASP 48 -15.014 6.337 -6.313 357 H GLU 49 H GLU 49 -11.949 6.900 -3.311 358 HA GLU 49 HA GLU 49 -13.458 8.035 -1.101 359 HB2 GLU 49 1HB GLU 49 -11.159 6.185 -1.388 360 HB3 GLU 49 2HB GLU 49 -11.181 7.185 0.058 361 HG2 GLU 49 1HG GLU 49 -13.344 5.295 -0.839 362 HG3 GLU 49 2HG GLU 49 -12.213 5.046 0.491 363 H ALA 50 H ALA 50 -12.282 9.381 0.520 364 HA ALA 50 HA ALA 50 -10.593 11.357 -0.866 365 HB1 ALA 50 1HB ALA 50 -12.636 12.371 -0.199 366 HB2 ALA 50 2HB ALA 50 -12.524 11.683 1.421 367 HB3 ALA 50 3HB ALA 50 -11.392 12.937 0.916 368 H ARG 51 H ARG 51 -10.861 9.260 1.896 369 HA ARG 51 HA ARG 51 -8.163 10.092 2.736 370 HB2 ARG 51 1HB ARG 51 -8.722 9.778 5.022 371 HB3 ARG 51 2HB ARG 51 -10.012 10.751 4.328 372 HG2 ARG 51 1HG ARG 51 -11.235 8.505 4.011 373 HG3 ARG 51 2HG ARG 51 -10.062 7.884 5.175 374 HD2 ARG 51 1HD ARG 51 -10.756 9.565 6.793 375 HD3 ARG 51 2HD ARG 51 -11.892 10.239 5.626 376 HE ARG 51 HE ARG 51 -12.768 7.742 5.769 377 HH11 ARG 51 2HH1 ARG 51 -11.789 9.920 8.302 378 HH12 ARG 51 1HH1 ARG 51 -12.860 9.237 9.481 379 HH21 ARG 51 2HH2 ARG 51 -14.182 6.835 7.312 380 HH22 ARG 51 1HH2 ARG 51 -14.220 7.482 8.917 381 HA PRO 52 HA PRO 52 -7.329 5.828 1.721 382 HB2 PRO 52 1HB PRO 52 -4.678 5.931 2.299 383 HB3 PRO 52 2HB PRO 52 -5.362 6.588 0.808 384 HG2 PRO 52 1HG PRO 52 -4.591 8.012 3.326 385 HG3 PRO 52 2HG PRO 52 -4.308 8.486 1.641 386 HD2 PRO 52 1HD PRO 52 -6.307 9.537 3.134 387 HD3 PRO 52 2HD PRO 52 -6.447 9.303 1.380 388 H ASN 53 H ASN 53 -6.766 3.923 2.842 389 HA ASN 53 HA ASN 53 -7.236 4.061 5.688 390 HB2 ASN 53 1HB ASN 53 -6.932 1.805 3.718 391 HB3 ASN 53 2HB ASN 53 -6.982 1.503 5.453 392 HD21 ASN 53 1HD2 ASN 53 -8.781 2.097 2.647 393 HD22 ASN 53 2HD2 ASN 53 -10.343 2.195 3.379 394 H THR 54 H THR 54 -5.552 4.697 6.891 395 HA THR 54 HA THR 54 -2.835 4.155 6.226 396 HB THR 54 HB THR 54 -3.895 5.015 8.921 397 HG1 THR 54 1HG THR 54 -4.536 6.340 7.011 398 HG21 THR 54 1HG2 THR 54 -1.436 6.234 8.203 399 HG22 THR 54 2HG2 THR 54 -1.281 4.502 7.912 400 HG23 THR 54 3HG2 THR 54 -1.749 5.090 9.507 401 H ILE 55 H ILE 55 -1.477 2.589 6.927 402 HA ILE 55 HA ILE 55 -2.321 0.779 9.051 403 HB ILE 55 HB ILE 55 -1.614 -0.198 6.281 404 HG12 ILE 55 1HG1 ILE 55 -4.163 -0.582 7.861 405 HG13 ILE 55 2HG1 ILE 55 -3.954 0.657 6.628 406 HG21 ILE 55 1HG2 ILE 55 -2.255 -1.796 8.756 407 HG22 ILE 55 2HG2 ILE 55 -1.875 -2.435 7.158 408 HG23 ILE 55 3HG2 ILE 55 -0.641 -1.576 8.080 409 HD11 ILE 55 1HD1 ILE 55 -3.793 -0.935 4.913 410 HD12 ILE 55 2HD1 ILE 55 -3.559 -2.260 6.054 411 HD13 ILE 55 3HD1 ILE 55 -5.130 -1.467 5.932 412 H ASP 56 H ASP 56 -0.649 -0.112 10.176 413 HA ASP 56 HA ASP 56 2.018 0.875 9.502 414 HB2 ASP 56 1HB ASP 56 1.723 1.371 11.720 415 HB3 ASP 56 2HB ASP 56 0.662 -0.006 11.997 416 H PHE 57 H PHE 57 3.760 -0.428 9.122 417 HA PHE 57 HA PHE 57 3.406 -3.327 9.267 418 HB2 PHE 57 1HB PHE 57 3.976 -1.744 6.781 419 HB3 PHE 57 2HB PHE 57 4.582 -3.389 6.943 420 HD1 PHE 57 1HD PHE 57 2.896 -5.233 7.422 421 HD2 PHE 57 2HD PHE 57 1.789 -1.342 6.097 422 HE1 PHE 57 1HE PHE 57 0.721 -6.109 6.678 423 HE2 PHE 57 2HE PHE 57 -0.388 -2.211 5.353 424 HZ PHE 57 HZ PHE 57 -0.926 -4.597 5.643 425 H GLY 58 H GLY 58 5.216 -4.412 9.842 426 HA2 GLY 58 1HA GLY 58 7.498 -2.842 10.663 427 HA3 GLY 58 2HA GLY 58 7.267 -4.565 10.920 428 H LYS 59 H LYS 59 9.683 -3.282 10.080 429 HA LYS 59 HA LYS 59 10.267 -3.246 7.412 430 HB2 LYS 59 1HB LYS 59 12.565 -3.832 8.009 431 HB3 LYS 59 2HB LYS 59 11.891 -2.688 9.162 432 HG2 LYS 59 1HG LYS 59 11.290 -4.919 10.457 433 HG3 LYS 59 2HG LYS 59 12.662 -5.526 9.528 434 HD2 LYS 59 1HD LYS 59 14.139 -3.971 10.492 435 HD3 LYS 59 2HD LYS 59 12.818 -2.972 11.105 436 HE2 LYS 59 1HE LYS 59 13.425 -5.775 12.039 437 HE3 LYS 59 2HE LYS 59 13.966 -4.311 12.858 438 HZ1 LYS 59 1HZ LYS 59 12.060 -4.469 13.973 439 HZ2 LYS 59 2HZ LYS 59 11.385 -5.569 12.879 440 HZ3 LYS 59 3HZ LYS 59 11.304 -3.908 12.567 441 H ASP 60 H ASP 60 9.617 -6.022 9.409 442 HA ASP 60 HA ASP 60 10.634 -7.971 7.584 443 HB2 ASP 60 1HB ASP 60 10.355 -8.394 10.016 444 HB3 ASP 60 2HB ASP 60 8.608 -8.325 9.802 445 H ASP 61 H ASP 61 7.463 -6.557 8.214 446 HA ASP 61 HA ASP 61 5.960 -8.249 6.545 447 HB2 ASP 61 1HB ASP 61 5.553 -5.516 7.690 448 HB3 ASP 61 2HB ASP 61 4.449 -6.091 6.443 449 H GLN 62 H GLN 62 7.041 -8.565 4.598 450 HA GLN 62 HA GLN 62 7.503 -6.234 2.896 451 HB2 GLN 62 1HB GLN 62 8.245 -9.140 2.524 452 HB3 GLN 62 2HB GLN 62 8.640 -7.852 1.394 453 HG2 GLN 62 1HG GLN 62 9.778 -6.748 3.444 454 HG3 GLN 62 2HG GLN 62 9.734 -8.375 4.120 455 HE21 GLN 62 1HE2 GLN 62 10.415 -6.988 0.922 456 HE22 GLN 62 2HE2 GLN 62 11.919 -7.808 0.699 457 H HIS 63 H HIS 63 5.064 -8.394 3.528 458 HA HIS 63 HA HIS 63 3.668 -7.657 1.100 459 HB2 HIS 63 1HB HIS 63 2.983 -10.188 0.893 460 HB3 HIS 63 2HB HIS 63 4.467 -9.604 0.146 461 HD1 HIS 63 1HD HIS 63 6.474 -10.952 0.652 462 HD2 HIS 63 2HD HIS 63 3.562 -11.357 3.588 463 HE1 HIS 63 1HE HIS 63 7.376 -12.659 2.263 464 HE2 HIS 63 2HE HIS 63 5.561 -12.950 3.984 465 H PHE 64 H PHE 64 1.375 -8.141 1.194 466 HA PHE 64 HA PHE 64 0.356 -8.866 3.841 467 HB2 PHE 64 1HB PHE 64 0.590 -6.344 3.626 468 HB3 PHE 64 2HB PHE 64 -0.654 -6.424 2.383 469 HD1 PHE 64 2HD PHE 64 -0.108 -7.728 5.840 470 HD2 PHE 64 1HD PHE 64 -2.781 -5.930 3.058 471 HE1 PHE 64 2HE PHE 64 -1.845 -7.628 7.579 472 HE2 PHE 64 1HE PHE 64 -4.522 -5.826 4.793 473 HZ PHE 64 HZ PHE 64 -4.056 -6.677 7.057 474 H THR 65 H THR 65 -1.585 -9.912 3.823 475 HA THR 65 HA THR 65 -2.641 -10.602 1.175 476 HB THR 65 HB THR 65 -3.061 -11.961 3.844 477 HG1 THR 65 1HG THR 65 -1.069 -12.547 3.207 478 HG21 THR 65 1HG2 THR 65 -4.210 -12.421 1.126 479 HG22 THR 65 2HG2 THR 65 -4.985 -12.528 2.706 480 HG23 THR 65 3HG2 THR 65 -3.891 -13.804 2.173 481 H VAL 66 H VAL 66 -4.206 -9.228 0.579 482 HA VAL 66 HA VAL 66 -6.196 -8.394 2.573 483 HB VAL 66 HB VAL 66 -5.564 -7.244 -0.148 484 HG11 VAL 66 1HG1 VAL 66 -7.465 -6.090 1.874 485 HG12 VAL 66 2HG1 VAL 66 -7.242 -5.627 0.186 486 HG13 VAL 66 3HG1 VAL 66 -7.998 -7.170 0.586 487 HG21 VAL 66 1HG2 VAL 66 -4.730 -5.331 1.064 488 HG22 VAL 66 2HG2 VAL 66 -5.191 -6.061 2.602 489 HG23 VAL 66 3HG2 VAL 66 -3.907 -6.784 1.633 490 H THR 67 H THR 67 -8.171 -9.234 2.532 491 HA THR 67 HA THR 67 -9.166 -10.404 0.022 492 HB THR 67 HB THR 67 -10.179 -12.256 1.251 493 HG1 THR 67 1HG THR 67 -9.917 -12.475 3.430 494 HG21 THR 67 1HG2 THR 67 -7.310 -12.220 2.120 495 HG22 THR 67 2HG2 THR 67 -7.727 -12.260 0.407 496 HG23 THR 67 3HG2 THR 67 -8.263 -13.556 1.476 497 H GLY 68 H GLY 68 -11.442 -10.400 -0.243 498 HA2 GLY 68 1HA GLY 68 -13.656 -9.867 0.430 499 HA3 GLY 68 2HA GLY 68 -12.995 -8.906 1.745 500 H LEU 69 H LEU 69 -11.548 -8.498 -1.341 501 HA LEU 69 HA LEU 69 -12.355 -5.750 -1.433 502 HB2 LEU 69 1HB LEU 69 -10.838 -7.432 -3.422 503 HB3 LEU 69 2HB LEU 69 -11.045 -5.685 -3.525 504 HG LEU 69 HG LEU 69 -9.678 -7.008 -1.195 505 HD11 LEU 69 1HD1 LEU 69 -8.613 -6.298 -3.891 506 HD12 LEU 69 2HD1 LEU 69 -8.263 -7.697 -2.876 507 HD13 LEU 69 3HD1 LEU 69 -7.587 -6.120 -2.467 508 HD21 LEU 69 1HD2 LEU 69 -9.022 -4.901 -0.576 509 HD22 LEU 69 2HD2 LEU 69 -10.603 -4.554 -1.277 510 HD23 LEU 69 3HD2 LEU 69 -9.138 -4.262 -2.216 511 H HIS 70 H HIS 70 -13.764 -4.749 -2.810 512 HA HIS 70 HA HIS 70 -15.875 -6.345 -3.894 513 HB2 HIS 70 1HB HIS 70 -15.307 -3.438 -3.617 514 HB3 HIS 70 2HB HIS 70 -16.463 -3.920 -4.856 515 HD1 HIS 70 1HD HIS 70 -18.454 -2.890 -3.604 516 HD2 HIS 70 2HD HIS 70 -16.431 -5.798 -1.433 517 HE1 HIS 70 1HE HIS 70 -19.936 -3.417 -1.642 518 HE2 HIS 70 2HE HIS 70 -18.653 -5.116 -0.297 519 H LYS 71 H LYS 71 -15.727 -7.395 -5.755 520 HA LYS 71 HA LYS 71 -13.765 -7.010 -7.699 521 HB2 LYS 71 1HB LYS 71 -16.326 -8.502 -7.541 522 HB3 LYS 71 2HB LYS 71 -15.680 -8.212 -9.150 523 HG2 LYS 71 1HG LYS 71 -13.479 -9.157 -8.184 524 HG3 LYS 71 2HG LYS 71 -14.511 -9.803 -6.906 525 HD2 LYS 71 1HD LYS 71 -15.362 -10.247 -9.715 526 HD3 LYS 71 2HD LYS 71 -13.973 -11.165 -9.128 527 HE2 LYS 71 1HE LYS 71 -15.859 -12.514 -8.699 528 HE3 LYS 71 2HE LYS 71 -15.415 -11.808 -7.146 529 HZ1 LYS 71 1HZ LYS 71 -17.163 -10.198 -7.377 530 HZ2 LYS 71 2HZ LYS 71 -17.817 -11.745 -7.578 531 HZ3 LYS 71 3HZ LYS 71 -17.548 -10.760 -8.926 532 H GLY 72 H GLY 72 -14.003 -6.291 -9.927 533 HA2 GLY 72 1HA GLY 72 -14.543 -4.714 -11.505 534 HA3 GLY 72 2HA GLY 72 -16.176 -4.777 -10.860 535 H THR 73 H THR 73 -13.354 -3.852 -8.990 536 HA THR 73 HA THR 73 -14.187 -1.040 -9.108 537 HB THR 73 HB THR 73 -13.771 -2.641 -6.581 538 HG1 THR 73 1HG THR 73 -15.914 -2.267 -7.858 539 HG21 THR 73 1HG2 THR 73 -13.005 -0.801 -5.584 540 HG22 THR 73 2HG2 THR 73 -14.523 0.008 -5.973 541 HG23 THR 73 3HG2 THR 73 -13.158 0.113 -7.084 542 H THR 74 H THR 74 -12.542 0.387 -9.151 543 HA THR 74 HA THR 74 -9.843 -0.677 -9.268 544 HB THR 74 HB THR 74 -10.892 2.110 -9.795 545 HG1 THR 74 1HG THR 74 -10.036 1.243 -11.995 546 HG21 THR 74 1HG2 THR 74 -8.493 1.968 -9.004 547 HG22 THR 74 2HG2 THR 74 -8.732 2.695 -10.593 548 HG23 THR 74 3HG2 THR 74 -8.158 1.033 -10.461 549 H TYR 75 H TYR 75 -8.257 -0.338 -7.810 550 HA TYR 75 HA TYR 75 -8.901 1.345 -5.477 551 HB2 TYR 75 1HB TYR 75 -7.649 -1.371 -5.651 552 HB3 TYR 75 2HB TYR 75 -7.232 -0.306 -4.314 553 HD1 TYR 75 2HD TYR 75 -9.895 -2.291 -5.862 554 HD2 TYR 75 1HD TYR 75 -8.858 0.237 -2.600 555 HE1 TYR 75 2HE TYR 75 -11.927 -3.003 -4.672 556 HE2 TYR 75 1HE TYR 75 -10.886 -0.469 -1.401 557 HH TYR 75 HH TYR 75 -13.321 -2.473 -2.930 558 H ILE 76 H ILE 76 -6.977 2.159 -4.306 559 HA ILE 76 HA ILE 76 -4.663 2.563 -6.079 560 HB ILE 76 HB ILE 76 -5.916 4.721 -4.378 561 HG12 ILE 76 1HG1 ILE 76 -5.800 4.857 -7.357 562 HG13 ILE 76 2HG1 ILE 76 -7.045 3.853 -6.620 563 HG21 ILE 76 1HG2 ILE 76 -4.318 6.206 -5.387 564 HG22 ILE 76 2HG2 ILE 76 -3.457 4.846 -4.670 565 HG23 ILE 76 3HG2 ILE 76 -3.703 4.912 -6.415 566 HD11 ILE 76 1HD1 ILE 76 -7.779 6.154 -7.163 567 HD12 ILE 76 2HD1 ILE 76 -7.954 5.733 -5.459 568 HD13 ILE 76 3HD1 ILE 76 -6.619 6.760 -5.981 569 H PHE 77 H PHE 77 -3.175 1.361 -5.034 570 HA PHE 77 HA PHE 77 -2.951 1.508 -2.135 571 HB2 PHE 77 1HB PHE 77 -1.624 -0.199 -4.235 572 HB3 PHE 77 2HB PHE 77 -1.080 -0.191 -2.561 573 HD1 PHE 77 1HD PHE 77 -3.758 -1.157 -4.852 574 HD2 PHE 77 2HD PHE 77 -2.422 -1.171 -0.811 575 HE1 PHE 77 1HE PHE 77 -5.477 -2.826 -4.293 576 HE2 PHE 77 2HE PHE 77 -4.138 -2.841 -0.246 577 HZ PHE 77 HZ PHE 77 -5.668 -3.672 -1.988 578 H ARG 78 H ARG 78 -1.279 2.423 -1.032 579 HA ARG 78 HA ARG 78 0.906 3.634 -2.566 580 HB2 ARG 78 1HB ARG 78 -1.104 5.039 -0.875 581 HB3 ARG 78 2HB ARG 78 0.561 5.602 -0.807 582 HG2 ARG 78 1HG ARG 78 0.302 5.524 -3.442 583 HG3 ARG 78 2HG ARG 78 -1.400 5.730 -3.023 584 HD2 ARG 78 1HD ARG 78 -1.033 7.793 -2.022 585 HD3 ARG 78 2HD ARG 78 0.686 7.483 -1.788 586 HE ARG 78 HE ARG 78 -0.176 7.664 -4.544 587 HH11 ARG 78 2HH1 ARG 78 1.112 9.334 -1.775 588 HH12 ARG 78 1HH1 ARG 78 1.795 10.624 -2.707 589 HH21 ARG 78 2HH2 ARG 78 0.719 9.357 -5.783 590 HH22 ARG 78 1HH2 ARG 78 1.570 10.637 -4.987 591 H LEU 79 H LEU 79 2.809 3.156 -1.698 592 HA LEU 79 HA LEU 79 2.919 2.507 1.175 593 HB2 LEU 79 1HB LEU 79 3.188 0.548 -0.339 594 HB3 LEU 79 2HB LEU 79 4.626 1.318 -1.006 595 HG LEU 79 HG LEU 79 5.593 1.247 1.330 596 HD11 LEU 79 1HD1 LEU 79 4.079 -0.990 2.227 597 HD12 LEU 79 2HD1 LEU 79 2.982 0.359 1.936 598 HD13 LEU 79 3HD1 LEU 79 4.352 0.557 3.028 599 HD21 LEU 79 1HD2 LEU 79 5.166 -0.960 -0.549 600 HD22 LEU 79 2HD2 LEU 79 5.636 -1.463 1.075 601 HD23 LEU 79 3HD2 LEU 79 6.657 -0.347 0.166 602 H ALA 80 H ALA 80 5.020 2.875 2.198 603 HA ALA 80 HA ALA 80 6.868 4.652 0.844 604 HB1 ALA 80 1HB ALA 80 5.366 6.319 1.558 605 HB2 ALA 80 2HB ALA 80 5.155 5.565 3.139 606 HB3 ALA 80 3HB ALA 80 6.686 6.340 2.728 607 H ALA 81 H ALA 81 8.893 4.721 1.795 608 HA ALA 81 HA ALA 81 9.398 2.627 3.752 609 HB1 ALA 81 1HB ALA 81 10.732 3.083 1.570 610 HB2 ALA 81 2HB ALA 81 11.544 4.316 2.537 611 HB3 ALA 81 3HB ALA 81 11.595 2.626 3.040 612 H LYS 82 H LYS 82 10.392 2.937 5.735 613 HA LYS 82 HA LYS 82 10.592 5.727 6.660 614 HB2 LYS 82 1HB LYS 82 8.600 4.207 7.481 615 HB3 LYS 82 2HB LYS 82 9.827 3.540 8.551 616 HG2 LYS 82 1HG LYS 82 10.271 5.806 9.410 617 HG3 LYS 82 2HG LYS 82 8.973 6.423 8.385 618 HD2 LYS 82 1HD LYS 82 7.512 4.650 9.573 619 HD3 LYS 82 2HD LYS 82 8.801 4.627 10.779 620 HE2 LYS 82 1HE LYS 82 8.492 7.239 10.669 621 HE3 LYS 82 2HE LYS 82 6.892 6.803 10.069 622 HZ1 LYS 82 1HZ LYS 82 7.711 6.910 12.700 623 HZ2 LYS 82 2HZ LYS 82 7.559 5.261 12.353 624 HZ3 LYS 82 3HZ LYS 82 6.246 6.300 12.114 625 H ASN 83 H ASN 83 12.565 6.239 7.319 626 HA ASN 83 HA ASN 83 14.313 4.088 8.321 627 HB2 ASN 83 1HB ASN 83 16.216 5.506 7.499 628 HB3 ASN 83 2HB ASN 83 15.181 4.874 6.222 629 HD21 ASN 83 1HD2 ASN 83 16.151 6.600 4.965 630 HD22 ASN 83 2HD2 ASN 83 15.474 8.187 5.053 631 H ARG 84 H ARG 84 16.323 5.368 9.458 632 HA ARG 84 HA ARG 84 15.483 6.097 11.958 633 HB2 ARG 84 1HB ARG 84 17.965 6.922 10.454 634 HB3 ARG 84 2HB ARG 84 17.714 7.288 12.155 635 HG2 ARG 84 1HG ARG 84 17.501 4.474 11.173 636 HG3 ARG 84 2HG ARG 84 19.079 5.199 11.488 637 HD2 ARG 84 1HD ARG 84 16.831 5.136 13.492 638 HD3 ARG 84 2HD ARG 84 18.098 3.913 13.405 639 HE ARG 84 HE ARG 84 19.052 6.626 13.644 640 HH11 ARG 84 2HH1 ARG 84 18.068 3.742 15.327 641 HH12 ARG 84 1HH1 ARG 84 18.941 4.131 16.773 642 HH21 ARG 84 2HH2 ARG 84 20.205 7.149 15.542 643 HH22 ARG 84 1HH2 ARG 84 20.155 6.069 16.894 644 H ALA 85 H ALA 85 15.837 8.139 9.123 645 HA ALA 85 HA ALA 85 15.399 10.596 10.540 646 HB1 ALA 85 1HB ALA 85 15.536 11.667 8.455 647 HB2 ALA 85 2HB ALA 85 16.655 10.308 8.344 648 HB3 ALA 85 3HB ALA 85 15.069 10.208 7.580 649 H GLY 86 H GLY 86 13.415 8.331 8.711 650 HA2 GLY 86 1HA GLY 86 11.060 8.373 9.778 651 HA3 GLY 86 2HA GLY 86 11.058 10.027 9.184 652 H LEU 87 H LEU 87 9.082 9.128 8.094 653 HA LEU 87 HA LEU 87 9.315 7.251 5.994 654 HB2 LEU 87 1HB LEU 87 7.285 9.462 6.243 655 HB3 LEU 87 2HB LEU 87 7.123 7.968 5.322 656 HG LEU 87 HG LEU 87 7.520 7.792 8.270 657 HD11 LEU 87 1HD1 LEU 87 4.722 7.865 7.535 658 HD12 LEU 87 2HD1 LEU 87 5.521 9.408 7.236 659 HD13 LEU 87 3HD1 LEU 87 5.569 8.688 8.845 660 HD21 LEU 87 1HD2 LEU 87 5.548 6.052 7.402 661 HD22 LEU 87 2HD2 LEU 87 7.243 5.660 7.694 662 HD23 LEU 87 3HD2 LEU 87 6.704 6.092 6.070 663 H GLY 88 H GLY 88 9.349 7.569 3.737 664 HA2 GLY 88 1HA GLY 88 10.414 10.202 2.915 665 HA3 GLY 88 2HA GLY 88 11.018 8.682 2.271 666 H GLU 89 H GLU 89 10.549 9.125 0.138 667 HA GLU 89 HA GLU 89 8.273 10.247 -0.923 668 HB2 GLU 89 1HB GLU 89 10.298 8.318 -1.935 669 HB3 GLU 89 2HB GLU 89 8.822 8.503 -2.872 670 HG2 GLU 89 1HG GLU 89 10.374 10.909 -2.027 671 HG3 GLU 89 2HG GLU 89 10.885 9.962 -3.422 672 H GLU 90 H GLU 90 6.678 8.964 -2.380 673 HA GLU 90 HA GLU 90 5.714 6.566 -0.988 674 HB2 GLU 90 1HB GLU 90 3.943 8.877 -1.800 675 HB3 GLU 90 2HB GLU 90 3.424 7.388 -1.024 676 HG2 GLU 90 1HG GLU 90 5.163 8.155 0.809 677 HG3 GLU 90 2HG GLU 90 4.817 9.741 0.121 678 H PHE 91 H PHE 91 5.059 4.981 -2.311 679 HA PHE 91 HA PHE 91 5.208 5.451 -5.176 680 HB2 PHE 91 1HB PHE 91 6.340 3.493 -4.105 681 HB3 PHE 91 2HB PHE 91 4.751 2.847 -3.708 682 HD1 PHE 91 2HD PHE 91 3.239 2.097 -5.501 683 HD2 PHE 91 1HD PHE 91 7.230 3.338 -6.302 684 HE1 PHE 91 2HE PHE 91 3.132 1.006 -7.703 685 HE2 PHE 91 1HE PHE 91 7.130 2.250 -8.506 686 HZ PHE 91 HZ PHE 91 5.080 1.081 -9.209 687 H GLU 92 H GLU 92 3.547 5.122 -6.626 688 HA GLU 92 HA GLU 92 0.867 4.773 -5.451 689 HB2 GLU 92 1HB GLU 92 1.392 7.101 -6.263 690 HB3 GLU 92 2HB GLU 92 1.520 6.436 -7.885 691 HG2 GLU 92 1HG GLU 92 -0.775 5.820 -7.903 692 HG3 GLU 92 2HG GLU 92 -0.947 6.188 -6.187 693 H LYS 93 H LYS 93 -0.373 3.215 -6.289 694 HA LYS 93 HA LYS 93 0.217 2.178 -8.961 695 HB2 LYS 93 1HB LYS 93 1.285 0.863 -6.911 696 HB3 LYS 93 2HB LYS 93 -0.332 0.179 -6.818 697 HG2 LYS 93 1HG LYS 93 1.296 0.185 -9.344 698 HG3 LYS 93 2HG LYS 93 1.349 -1.125 -8.161 699 HD2 LYS 93 1HD LYS 93 -1.093 -1.409 -8.423 700 HD3 LYS 93 2HD LYS 93 -1.081 -0.160 -9.670 701 HE2 LYS 93 1HE LYS 93 0.433 -2.768 -9.770 702 HE3 LYS 93 2HE LYS 93 -1.063 -2.415 -10.633 703 HZ1 LYS 93 1HZ LYS 93 1.524 -1.005 -11.009 704 HZ2 LYS 93 2HZ LYS 93 0.089 -0.662 -11.835 705 HZ3 LYS 93 3HZ LYS 93 0.861 -2.150 -12.063 706 H GLU 94 H GLU 94 -1.579 1.880 -10.111 707 HA GLU 94 HA GLU 94 -4.145 1.810 -8.669 708 HB2 GLU 94 1HB GLU 94 -3.524 3.710 -10.346 709 HB3 GLU 94 2HB GLU 94 -3.893 2.508 -11.575 710 HG2 GLU 94 1HG GLU 94 -6.132 2.224 -10.469 711 HG3 GLU 94 2HG GLU 94 -5.738 3.635 -9.489 712 H ILE 95 H ILE 95 -5.276 -0.009 -8.736 713 HA ILE 95 HA ILE 95 -4.859 -1.851 -10.995 714 HB ILE 95 HB ILE 95 -4.918 -3.756 -9.572 715 HG12 ILE 95 1HG1 ILE 95 -6.601 -2.965 -7.975 716 HG13 ILE 95 2HG1 ILE 95 -5.190 -3.595 -7.133 717 HG21 ILE 95 1HG2 ILE 95 -2.721 -3.162 -9.570 718 HG22 ILE 95 2HG2 ILE 95 -3.034 -1.582 -8.852 719 HG23 ILE 95 3HG2 ILE 95 -3.043 -3.027 -7.841 720 HD11 ILE 95 1HD1 ILE 95 -6.288 -0.873 -7.217 721 HD12 ILE 95 2HD1 ILE 95 -5.407 -1.710 -5.939 722 HD13 ILE 95 3HD1 ILE 95 -4.530 -0.992 -7.290 723 H ARG 96 H ARG 96 -6.658 -3.543 -11.072 724 HA ARG 96 HA ARG 96 -9.222 -2.567 -10.086 725 HB2 ARG 96 1HB ARG 96 -8.734 -1.552 -12.374 726 HB3 ARG 96 2HB ARG 96 -8.874 -3.183 -13.015 727 HG2 ARG 96 1HG ARG 96 -11.167 -3.314 -12.162 728 HG3 ARG 96 2HG ARG 96 -11.022 -1.665 -11.551 729 HD2 ARG 96 1HD ARG 96 -12.112 -1.403 -13.594 730 HD3 ARG 96 2HD ARG 96 -10.428 -1.036 -13.968 731 HE ARG 96 HE ARG 96 -10.919 -3.772 -14.417 732 HH11 ARG 96 2HH1 ARG 96 -11.659 -0.639 -15.742 733 HH12 ARG 96 1HH1 ARG 96 -11.837 -1.223 -17.364 734 HH21 ARG 96 2HH2 ARG 96 -11.150 -4.553 -16.547 735 HH22 ARG 96 1HH2 ARG 96 -11.548 -3.449 -17.821 736 H THR 97 H THR 97 -10.200 -4.247 -9.193 737 HA THR 97 HA THR 97 -9.372 -6.921 -9.556 738 HB THR 97 HB THR 97 -11.465 -7.501 -8.285 739 HG1 THR 97 1HG THR 97 -11.784 -4.671 -8.150 740 HG21 THR 97 1HG2 THR 97 -9.173 -6.012 -7.428 741 HG22 THR 97 2HG2 THR 97 -10.087 -7.241 -6.554 742 HG23 THR 97 3HG2 THR 97 -10.570 -5.548 -6.457 743 HA PRO 98 HA PRO 98 -11.564 -7.789 -13.328 744 HB2 PRO 98 1HB PRO 98 -10.963 -10.435 -13.413 745 HB3 PRO 98 2HB PRO 98 -9.804 -9.172 -13.845 746 HG2 PRO 98 1HG PRO 98 -10.077 -10.695 -11.283 747 HG3 PRO 98 2HG PRO 98 -8.608 -10.266 -12.178 748 HD2 PRO 98 1HD PRO 98 -9.441 -8.890 -10.000 749 HD3 PRO 98 2HD PRO 98 -8.576 -8.117 -11.344 750 H GLU 99 H GLU 99 -13.730 -7.751 -13.133 751 HA GLU 99 HA GLU 99 -15.301 -8.923 -11.199 752 HB2 GLU 99 1HB GLU 99 -16.092 -8.508 -14.086 753 HB3 GLU 99 2HB GLU 99 -17.182 -8.639 -12.713 754 HG2 GLU 99 1HG GLU 99 -15.750 -6.590 -11.850 755 HG3 GLU 99 2HG GLU 99 -15.477 -6.375 -13.578 756 H ASP 100 H ASP 100 -17.072 -10.630 -11.784 757 HA ASP 100 HA ASP 100 -15.753 -12.950 -13.032 758 HB2 ASP 100 1HB ASP 100 -17.067 -12.682 -10.377 759 HB3 ASP 100 2HB ASP 100 -17.327 -14.186 -11.257 760 H LEU 101 H LEU 101 -18.902 -11.653 -11.994 761 HA LEU 101 HA LEU 101 -20.619 -13.324 -13.296 762 HB2 LEU 101 1HB LEU 101 -21.938 -11.061 -13.712 763 HB3 LEU 101 2HB LEU 101 -21.779 -11.784 -12.113 764 HG LEU 101 HG LEU 101 -19.753 -9.773 -12.956 765 HD11 LEU 101 1HD1 LEU 101 -21.277 -8.207 -13.363 766 HD12 LEU 101 2HD1 LEU 101 -21.705 -8.301 -11.655 767 HD13 LEU 101 3HD1 LEU 101 -22.598 -9.252 -12.842 768 HD21 LEU 101 1HD2 LEU 101 -20.944 -9.579 -10.319 769 HD22 LEU 101 2HD2 LEU 101 -19.255 -9.785 -10.785 770 HD23 LEU 101 3HD2 LEU 101 -20.310 -11.193 -10.647 771 H SER 102 H SER 102 -21.220 -13.747 -15.340 772 HA SER 102 HA SER 102 -20.736 -11.913 -17.499 773 HB2 SER 102 1HB SER 102 -18.496 -12.982 -17.180 774 HB3 SER 102 2HB SER 102 -19.239 -14.544 -17.524 775 HG SER 102 HG SER 102 -19.942 -13.490 -19.558 776 H GLY 103 H GLY 103 -21.922 -12.402 -19.332 777 HA2 GLY 103 1HA GLY 103 -23.422 -13.541 -20.676 778 HA3 GLY 103 2HA GLY 103 -23.167 -14.970 -19.685 779 HA PRO 104 HA PRO 104 -27.064 -12.334 -18.466 780 HB2 PRO 104 1HB PRO 104 -28.819 -12.727 -20.500 781 HB3 PRO 104 2HB PRO 104 -27.729 -11.338 -20.427 782 HG2 PRO 104 1HG PRO 104 -27.448 -13.887 -21.971 783 HG3 PRO 104 2HG PRO 104 -27.120 -12.224 -22.489 784 HD2 PRO 104 1HD PRO 104 -25.157 -13.926 -21.726 785 HD3 PRO 104 2HD PRO 104 -25.061 -12.174 -21.455 786 H SER 105 H SER 105 -29.331 -13.255 -18.161 787 HA SER 105 HA SER 105 -30.657 -14.923 -17.364 788 HB2 SER 105 1HB SER 105 -30.276 -15.606 -19.868 789 HB3 SER 105 2HB SER 105 -29.307 -16.902 -19.168 790 HG SER 105 HG SER 105 -32.063 -16.393 -18.885 791 H SER 106 H SER 106 -28.403 -14.403 -15.865 792 HA SER 106 HA SER 106 -27.929 -17.030 -14.666 793 HB2 SER 106 1HB SER 106 -25.785 -15.081 -15.512 794 HB3 SER 106 2HB SER 106 -25.503 -16.320 -14.288 795 HG SER 106 HG SER 106 -26.660 -17.177 -16.658 796 H GLY 107 H GLY 107 -26.665 -16.669 -12.501 797 HA2 GLY 107 1HA GLY 107 -26.522 -14.452 -10.996 798 HA3 GLY 107 2HA GLY 107 -28.252 -14.764 -10.991
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