NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
461716 | 2e7m | 11232 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 -30.261 14.751 31.492 2 HA2 GLY 1 1HA GLY 1 -32.331 12.689 31.595 3 HA3 GLY 1 2HA GLY 1 -32.366 13.790 30.225 4 H SER 2 H SER 2 -32.157 11.481 29.275 5 HA SER 2 HA SER 2 -29.288 10.933 28.882 6 HB2 SER 2 1HB SER 2 -31.599 8.986 28.995 7 HB3 SER 2 2HB SER 2 -29.993 8.555 28.408 8 HG SER 2 HG SER 2 -30.391 8.108 30.678 9 H SER 3 H SER 3 -28.913 11.987 27.003 10 HA SER 3 HA SER 3 -30.730 11.496 24.746 11 HB2 SER 3 1HB SER 3 -28.626 13.629 25.173 12 HB3 SER 3 2HB SER 3 -29.542 13.427 23.679 13 HG SER 3 HG SER 3 -30.613 14.933 24.896 14 H GLY 4 H GLY 4 -29.914 9.382 24.327 15 HA2 GLY 4 1HA GLY 4 -27.153 9.311 23.293 16 HA3 GLY 4 2HA GLY 4 -28.050 7.911 23.861 17 H SER 5 H SER 5 -26.696 8.613 21.252 18 HA SER 5 HA SER 5 -28.982 7.937 19.525 19 HB2 SER 5 1HB SER 5 -28.455 10.231 19.028 20 HB3 SER 5 2HB SER 5 -26.732 9.869 18.928 21 HG SER 5 HG SER 5 -27.452 9.911 16.855 22 H SER 6 H SER 6 -28.704 5.933 18.824 23 HA SER 6 HA SER 6 -26.239 4.556 18.874 24 HB2 SER 6 1HB SER 6 -27.454 2.778 17.645 25 HB3 SER 6 2HB SER 6 -28.362 3.365 19.037 26 HG SER 6 HG SER 6 -29.501 4.738 17.520 27 H GLY 7 H GLY 7 -28.031 6.161 16.284 28 HA2 GLY 7 1HA GLY 7 -27.189 7.080 14.327 29 HA3 GLY 7 2HA GLY 7 -25.603 6.454 14.752 30 HA PRO 8 HA PRO 8 -28.163 3.025 12.417 31 HB2 PRO 8 1HB PRO 8 -30.005 4.040 10.701 32 HB3 PRO 8 2HB PRO 8 -30.389 3.590 12.366 33 HG2 PRO 8 1HG PRO 8 -29.812 6.294 11.220 34 HG3 PRO 8 2HG PRO 8 -31.063 5.815 12.382 35 HD2 PRO 8 1HD PRO 8 -28.757 7.016 13.137 36 HD3 PRO 8 2HD PRO 8 -29.596 5.832 14.160 37 H ARG 9 H ARG 9 -26.669 5.864 11.454 38 HA ARG 9 HA ARG 9 -26.312 5.023 8.677 39 HB2 ARG 9 1HB ARG 9 -25.428 7.529 10.120 40 HB3 ARG 9 2HB ARG 9 -25.161 7.204 8.412 41 HG2 ARG 9 1HG ARG 9 -27.038 8.469 8.259 42 HG3 ARG 9 2HG ARG 9 -27.786 6.881 8.437 43 HD2 ARG 9 1HD ARG 9 -28.955 8.055 10.013 44 HD3 ARG 9 2HD ARG 9 -27.620 7.460 10.998 45 HE ARG 9 HE ARG 9 -27.026 9.626 11.347 46 HH11 ARG 9 2HH1 ARG 9 -28.809 9.451 8.362 47 HH12 ARG 9 1HH1 ARG 9 -28.774 11.161 8.090 48 HH21 ARG 9 2HH2 ARG 9 -26.974 11.880 11.000 49 HH22 ARG 9 1HH2 ARG 9 -27.729 12.542 9.590 50 H THR 10 H THR 10 -24.783 3.533 8.395 51 HA THR 10 HA THR 10 -22.179 3.959 9.703 52 HB THR 10 HB THR 10 -21.894 1.476 9.758 53 HG1 THR 10 1HG THR 10 -23.712 0.189 9.441 54 HG21 THR 10 1HG2 THR 10 -22.690 2.882 11.714 55 HG22 THR 10 2HG2 THR 10 -23.076 1.163 11.788 56 HG23 THR 10 3HG2 THR 10 -24.319 2.327 11.329 57 H VAL 11 H VAL 11 -20.402 2.713 8.565 58 HA VAL 11 HA VAL 11 -20.763 3.023 5.663 59 HB VAL 11 HB VAL 11 -18.368 3.289 5.490 60 HG11 VAL 11 1HG1 VAL 11 -20.004 4.996 7.203 61 HG12 VAL 11 2HG1 VAL 11 -18.269 5.201 7.451 62 HG13 VAL 11 3HG1 VAL 11 -18.963 5.417 5.844 63 HG21 VAL 11 1HG2 VAL 11 -17.974 1.685 7.474 64 HG22 VAL 11 2HG2 VAL 11 -16.843 3.015 7.226 65 HG23 VAL 11 3HG2 VAL 11 -18.087 3.136 8.469 66 H LYS 12 H LYS 12 -19.701 1.498 4.244 67 HA LYS 12 HA LYS 12 -20.070 -1.213 5.135 68 HB2 LYS 12 1HB LYS 12 -19.501 0.131 2.535 69 HB3 LYS 12 2HB LYS 12 -19.101 -1.574 2.687 70 HG2 LYS 12 1HG LYS 12 -21.326 -2.191 3.020 71 HG3 LYS 12 2HG LYS 12 -21.817 -0.542 3.416 72 HD2 LYS 12 1HD LYS 12 -22.607 -0.737 1.263 73 HD3 LYS 12 2HD LYS 12 -21.013 -0.036 0.976 74 HE2 LYS 12 1HE LYS 12 -20.121 -2.292 0.563 75 HE3 LYS 12 2HE LYS 12 -21.733 -2.962 0.806 76 HZ1 LYS 12 1HZ LYS 12 -21.748 -0.861 -1.117 77 HZ2 LYS 12 2HZ LYS 12 -22.293 -2.455 -1.266 78 HZ3 LYS 12 3HZ LYS 12 -20.669 -2.085 -1.562 79 H GLU 13 H GLU 13 -18.544 -2.749 5.520 80 HA GLU 13 HA GLU 13 -15.839 -1.802 5.971 81 HB2 GLU 13 1HB GLU 13 -17.071 -4.509 6.514 82 HB3 GLU 13 2HB GLU 13 -15.486 -3.974 7.055 83 HG2 GLU 13 1HG GLU 13 -16.382 -2.468 8.590 84 HG3 GLU 13 2HG GLU 13 -17.968 -2.486 7.820 85 H LEU 14 H LEU 14 -14.717 -1.646 4.103 86 HA LEU 14 HA LEU 14 -14.884 -3.732 2.095 87 HB2 LEU 14 1HB LEU 14 -13.035 -1.362 2.101 88 HB3 LEU 14 2HB LEU 14 -13.563 -2.322 0.721 89 HG LEU 14 HG LEU 14 -15.500 -0.678 2.323 90 HD11 LEU 14 1HD1 LEU 14 -13.600 0.203 0.187 91 HD12 LEU 14 2HD1 LEU 14 -14.037 1.003 1.696 92 HD13 LEU 14 3HD1 LEU 14 -15.182 0.966 0.355 93 HD21 LEU 14 1HD2 LEU 14 -16.081 -2.531 0.573 94 HD22 LEU 14 2HD2 LEU 14 -15.658 -1.280 -0.596 95 HD23 LEU 14 3HD2 LEU 14 -16.953 -0.998 0.569 96 H THR 15 H THR 15 -13.157 -5.024 1.418 97 HA THR 15 HA THR 15 -11.151 -5.503 3.499 98 HB THR 15 HB THR 15 -11.895 -7.243 1.140 99 HG1 THR 15 1HG THR 15 -13.383 -6.822 3.127 100 HG21 THR 15 1HG2 THR 15 -10.635 -8.982 2.285 101 HG22 THR 15 2HG2 THR 15 -10.241 -7.864 3.590 102 HG23 THR 15 3HG2 THR 15 -9.600 -7.590 1.970 103 H VAL 16 H VAL 16 -9.478 -4.131 3.134 104 HA VAL 16 HA VAL 16 -8.426 -3.812 0.433 105 HB VAL 16 HB VAL 16 -7.491 -2.519 2.998 106 HG11 VAL 16 1HG1 VAL 16 -6.968 -1.683 0.152 107 HG12 VAL 16 2HG1 VAL 16 -6.259 -1.011 1.622 108 HG13 VAL 16 3HG1 VAL 16 -5.848 -2.649 1.112 109 HG21 VAL 16 1HG2 VAL 16 -9.685 -1.748 2.685 110 HG22 VAL 16 2HG2 VAL 16 -8.667 -0.498 1.970 111 HG23 VAL 16 3HG2 VAL 16 -9.497 -1.660 0.934 112 H SER 17 H SER 17 -6.647 -4.790 -0.308 113 HA SER 17 HA SER 17 -4.720 -5.932 1.564 114 HB2 SER 17 1HB SER 17 -6.603 -7.611 0.759 115 HB3 SER 17 2HB SER 17 -5.598 -7.690 -0.688 116 HG SER 17 HG SER 17 -3.851 -8.296 0.647 117 H ALA 18 H ALA 18 -2.708 -5.553 0.911 118 HA ALA 18 HA ALA 18 -2.205 -4.242 -1.577 119 HB1 ALA 18 1HB ALA 18 0.159 -5.237 -0.206 120 HB2 ALA 18 2HB ALA 18 -0.313 -3.582 -0.597 121 HB3 ALA 18 3HB ALA 18 -0.932 -4.354 0.863 122 H GLY 19 H GLY 19 -1.625 -7.484 -0.302 123 HA2 GLY 19 1HA GLY 19 -1.889 -9.067 -2.376 124 HA3 GLY 19 2HA GLY 19 -0.384 -8.284 -2.833 125 H ASP 20 H ASP 20 1.356 -8.358 -1.104 126 HA ASP 20 HA ASP 20 1.319 -10.326 0.909 127 HB2 ASP 20 1HB ASP 20 1.257 -11.714 -1.269 128 HB3 ASP 20 2HB ASP 20 2.936 -11.221 -1.466 129 H ASN 21 H ASN 21 3.630 -10.868 1.634 130 HA ASN 21 HA ASN 21 5.015 -8.445 2.041 131 HB2 ASN 21 1HB ASN 21 6.800 -9.960 3.022 132 HB3 ASN 21 2HB ASN 21 5.193 -10.114 3.728 133 HD21 ASN 21 1HD2 ASN 21 4.420 -12.085 3.935 134 HD22 ASN 21 2HD2 ASN 21 4.963 -13.484 3.079 135 H LEU 22 H LEU 22 6.642 -7.495 0.972 136 HA LEU 22 HA LEU 22 7.759 -8.920 -1.349 137 HB2 LEU 22 1HB LEU 22 7.708 -5.943 -0.917 138 HB3 LEU 22 2HB LEU 22 8.091 -6.810 -2.403 139 HG LEU 22 HG LEU 22 5.964 -5.988 -2.807 140 HD11 LEU 22 1HD1 LEU 22 4.427 -7.916 -2.684 141 HD12 LEU 22 2HD1 LEU 22 5.583 -8.740 -1.638 142 HD13 LEU 22 3HD1 LEU 22 6.022 -8.347 -3.300 143 HD21 LEU 22 1HD2 LEU 22 5.158 -6.793 -0.014 144 HD22 LEU 22 2HD2 LEU 22 4.144 -5.971 -1.200 145 HD23 LEU 22 3HD2 LEU 22 5.559 -5.156 -0.532 146 H ILE 23 H ILE 23 9.940 -9.054 -1.634 147 HA ILE 23 HA ILE 23 11.659 -7.766 0.374 148 HB ILE 23 HB ILE 23 11.858 -10.641 -0.528 149 HG12 ILE 23 1HG1 ILE 23 11.529 -9.653 2.294 150 HG13 ILE 23 2HG1 ILE 23 10.130 -9.912 1.257 151 HG21 ILE 23 1HG2 ILE 23 14.060 -9.593 -0.297 152 HG22 ILE 23 2HG2 ILE 23 13.644 -9.091 1.341 153 HG23 ILE 23 3HG2 ILE 23 13.782 -10.806 0.954 154 HD11 ILE 23 1HD1 ILE 23 10.862 -11.792 2.839 155 HD12 ILE 23 2HD1 ILE 23 10.467 -12.204 1.170 156 HD13 ILE 23 3HD1 ILE 23 12.153 -12.073 1.672 157 H ILE 24 H ILE 24 13.284 -6.669 -0.502 158 HA ILE 24 HA ILE 24 14.101 -7.341 -3.254 159 HB ILE 24 HB ILE 24 14.941 -4.829 -3.116 160 HG12 ILE 24 1HG1 ILE 24 12.578 -4.914 -1.229 161 HG13 ILE 24 2HG1 ILE 24 14.225 -4.450 -0.819 162 HG21 ILE 24 1HG2 ILE 24 12.049 -5.510 -3.625 163 HG22 ILE 24 2HG2 ILE 24 12.961 -4.166 -4.312 164 HG23 ILE 24 3HG2 ILE 24 13.368 -5.825 -4.753 165 HD11 ILE 24 1HD1 ILE 24 14.060 -2.496 -2.223 166 HD12 ILE 24 2HD1 ILE 24 12.447 -2.980 -2.749 167 HD13 ILE 24 3HD1 ILE 24 12.728 -2.527 -1.068 168 H THR 25 H THR 25 16.358 -6.645 -3.783 169 HA THR 25 HA THR 25 18.161 -6.758 -1.469 170 HB THR 25 HB THR 25 18.417 -8.498 -3.930 171 HG1 THR 25 1HG THR 25 17.343 -9.849 -2.716 172 HG21 THR 25 1HG2 THR 25 20.384 -7.547 -2.032 173 HG22 THR 25 2HG2 THR 25 20.611 -8.473 -3.516 174 HG23 THR 25 3HG2 THR 25 20.259 -9.306 -2.002 175 H LEU 26 H LEU 26 19.727 -5.283 -1.570 176 HA LEU 26 HA LEU 26 19.893 -3.309 -3.482 177 HB2 LEU 26 1HB LEU 26 21.873 -4.365 -1.500 178 HB3 LEU 26 2HB LEU 26 22.313 -3.063 -2.604 179 HG LEU 26 HG LEU 26 20.142 -2.997 -0.511 180 HD11 LEU 26 1HD1 LEU 26 22.322 -2.788 0.466 181 HD12 LEU 26 2HD1 LEU 26 21.563 -1.197 0.439 182 HD13 LEU 26 3HD1 LEU 26 22.802 -1.603 -0.748 183 HD21 LEU 26 1HD2 LEU 26 19.364 -1.734 -2.374 184 HD22 LEU 26 2HD2 LEU 26 20.944 -0.985 -2.604 185 HD23 LEU 26 3HD2 LEU 26 19.978 -0.588 -1.182 186 HA PRO 27 HA PRO 27 21.771 -1.937 -4.150 187 HB2 PRO 27 1HB PRO 27 21.779 -0.862 -6.643 188 HB3 PRO 27 2HB PRO 27 23.252 -1.391 -5.820 189 HG2 PRO 27 1HG PRO 27 21.630 -2.808 -7.900 190 HG3 PRO 27 2HG PRO 27 23.392 -2.664 -7.761 191 HD2 PRO 27 1HD PRO 27 22.047 -4.882 -6.987 192 HD3 PRO 27 2HD PRO 27 23.531 -4.335 -6.181 193 H ASP 28 H ASP 28 19.706 -3.754 -6.258 194 HA ASP 28 HA ASP 28 17.742 -1.984 -6.977 195 HB2 ASP 28 1HB ASP 28 17.764 -4.888 -6.328 196 HB3 ASP 28 2HB ASP 28 16.194 -4.098 -6.448 197 H ASN 29 H ASN 29 16.955 -0.439 -5.682 198 HA ASN 29 HA ASN 29 15.893 -1.259 -3.058 199 HB2 ASN 29 1HB ASN 29 16.326 1.043 -2.281 200 HB3 ASN 29 2HB ASN 29 17.806 0.236 -2.792 201 HD21 ASN 29 1HD2 ASN 29 19.067 1.790 -3.545 202 HD22 ASN 29 2HD2 ASN 29 18.622 2.957 -4.739 203 H GLU 30 H GLU 30 14.632 -1.143 -5.772 204 HA GLU 30 HA GLU 30 12.515 0.821 -5.187 205 HB2 GLU 30 1HB GLU 30 13.076 -0.439 -7.870 206 HB3 GLU 30 2HB GLU 30 12.042 0.941 -7.526 207 HG2 GLU 30 1HG GLU 30 14.051 2.208 -6.822 208 HG3 GLU 30 2HG GLU 30 15.042 0.840 -7.325 209 H VAL 31 H VAL 31 10.413 0.171 -5.087 210 HA VAL 31 HA VAL 31 9.686 -2.544 -5.833 211 HB VAL 31 HB VAL 31 10.431 -2.892 -3.562 212 HG11 VAL 31 1HG1 VAL 31 10.405 -0.825 -2.510 213 HG12 VAL 31 2HG1 VAL 31 8.740 -0.489 -2.990 214 HG13 VAL 31 3HG1 VAL 31 9.073 -1.674 -1.727 215 HG21 VAL 31 1HG2 VAL 31 8.455 -4.121 -4.289 216 HG22 VAL 31 2HG2 VAL 31 8.369 -3.759 -2.565 217 HG23 VAL 31 3HG2 VAL 31 7.418 -2.816 -3.712 218 H GLU 32 H GLU 32 7.554 -2.764 -6.357 219 HA GLU 32 HA GLU 32 5.901 -0.338 -6.110 220 HB2 GLU 32 1HB GLU 32 6.252 -0.667 -8.406 221 HB3 GLU 32 2HB GLU 32 6.102 -2.413 -8.272 222 HG2 GLU 32 1HG GLU 32 3.739 -0.760 -7.581 223 HG3 GLU 32 2HG GLU 32 4.180 -0.912 -9.281 224 H LEU 33 H LEU 33 4.022 -0.467 -5.053 225 HA LEU 33 HA LEU 33 2.988 -3.145 -4.388 226 HB2 LEU 33 1HB LEU 33 2.681 -0.712 -2.651 227 HB3 LEU 33 2HB LEU 33 2.358 -2.394 -2.235 228 HG LEU 33 HG LEU 33 5.144 -1.545 -2.912 229 HD11 LEU 33 1HD1 LEU 33 5.403 -1.230 -0.383 230 HD12 LEU 33 2HD1 LEU 33 3.657 -0.983 -0.370 231 HD13 LEU 33 3HD1 LEU 33 4.692 0.090 -1.312 232 HD21 LEU 33 1HD2 LEU 33 4.584 -3.927 -2.644 233 HD22 LEU 33 2HD2 LEU 33 4.019 -3.595 -1.006 234 HD23 LEU 33 3HD2 LEU 33 5.719 -3.362 -1.418 235 H LYS 34 H LYS 34 0.859 -3.519 -4.699 236 HA LYS 34 HA LYS 34 -0.770 -1.261 -5.665 237 HB2 LYS 34 1HB LYS 34 -0.149 -3.066 -7.343 238 HB3 LYS 34 2HB LYS 34 -1.165 -4.157 -6.411 239 HG2 LYS 34 1HG LYS 34 -3.104 -3.139 -7.067 240 HG3 LYS 34 2HG LYS 34 -2.323 -1.578 -7.331 241 HD2 LYS 34 1HD LYS 34 -1.418 -2.261 -9.393 242 HD3 LYS 34 2HD LYS 34 -1.735 -3.966 -9.060 243 HE2 LYS 34 1HE LYS 34 -3.931 -1.928 -9.329 244 HE3 LYS 34 2HE LYS 34 -3.285 -2.814 -10.710 245 HZ1 LYS 34 1HZ LYS 34 -3.868 -4.888 -9.550 246 HZ2 LYS 34 2HZ LYS 34 -5.221 -3.929 -9.881 247 HZ3 LYS 34 3HZ LYS 34 -4.588 -3.985 -8.313 248 H ALA 35 H ALA 35 -2.882 -1.075 -4.959 249 HA ALA 35 HA ALA 35 -3.528 -2.659 -2.573 250 HB1 ALA 35 1HB ALA 35 -3.801 0.127 -3.258 251 HB2 ALA 35 2HB ALA 35 -5.349 -0.556 -2.758 252 HB3 ALA 35 3HB ALA 35 -3.951 -0.665 -1.689 253 H PHE 36 H PHE 36 -5.248 -3.976 -2.509 254 HA PHE 36 HA PHE 36 -7.098 -3.924 -4.802 255 HB2 PHE 36 1HB PHE 36 -6.012 -6.277 -3.253 256 HB3 PHE 36 2HB PHE 36 -7.381 -6.399 -4.353 257 HD1 PHE 36 1HD PHE 36 -7.076 -6.189 -6.750 258 HD2 PHE 36 2HD PHE 36 -3.771 -5.969 -4.077 259 HE1 PHE 36 1HE PHE 36 -5.533 -6.515 -8.638 260 HE2 PHE 36 2HE PHE 36 -2.222 -6.294 -5.961 261 HZ PHE 36 HZ PHE 36 -3.102 -6.567 -8.245 262 H VAL 37 H VAL 37 -9.012 -3.173 -4.193 263 HA VAL 37 HA VAL 37 -9.980 -3.788 -1.482 264 HB VAL 37 HB VAL 37 -10.941 -1.600 -3.329 265 HG11 VAL 37 1HG1 VAL 37 -11.984 -2.721 -0.908 266 HG12 VAL 37 2HG1 VAL 37 -11.513 -1.043 -0.634 267 HG13 VAL 37 3HG1 VAL 37 -12.651 -1.441 -1.921 268 HG21 VAL 37 1HG2 VAL 37 -9.763 -0.111 -1.652 269 HG22 VAL 37 2HG2 VAL 37 -8.942 -1.562 -1.080 270 HG23 VAL 37 3HG2 VAL 37 -8.723 -1.024 -2.745 271 H ALA 38 H ALA 38 -11.675 -5.092 -1.247 272 HA ALA 38 HA ALA 38 -13.361 -5.629 -3.606 273 HB1 ALA 38 1HB ALA 38 -13.570 -7.907 -2.952 274 HB2 ALA 38 2HB ALA 38 -11.851 -7.512 -2.929 275 HB3 ALA 38 3HB ALA 38 -12.755 -7.605 -1.417 276 HA PRO 39 HA PRO 39 -15.209 -6.630 -4.115 277 HB2 PRO 39 1HB PRO 39 -17.393 -5.300 -5.028 278 HB3 PRO 39 2HB PRO 39 -17.502 -6.760 -4.038 279 HG2 PRO 39 1HG PRO 39 -17.769 -3.893 -3.220 280 HG3 PRO 39 2HG PRO 39 -18.744 -5.291 -2.732 281 HD2 PRO 39 1HD PRO 39 -16.789 -4.260 -1.167 282 HD3 PRO 39 2HD PRO 39 -17.192 -5.989 -1.177 283 H ALA 40 H ALA 40 -15.010 -5.714 -6.279 284 HA ALA 40 HA ALA 40 -13.347 -3.390 -6.295 285 HB1 ALA 40 1HB ALA 40 -13.452 -3.763 -8.821 286 HB2 ALA 40 2HB ALA 40 -12.737 -5.042 -7.837 287 HB3 ALA 40 3HB ALA 40 -14.385 -5.211 -8.442 288 HA PRO 41 HA PRO 41 -16.399 -0.282 -6.953 289 HB2 PRO 41 1HB PRO 41 -14.822 1.618 -8.081 290 HB3 PRO 41 2HB PRO 41 -14.770 1.225 -6.358 291 HG2 PRO 41 1HG PRO 41 -12.952 0.328 -8.561 292 HG3 PRO 41 2HG PRO 41 -12.543 0.869 -6.922 293 HD2 PRO 41 1HD PRO 41 -12.629 -1.748 -7.614 294 HD3 PRO 41 2HD PRO 41 -13.047 -1.176 -5.986 295 HA PRO 42 HA PRO 42 -17.837 -0.621 -11.102 296 HB2 PRO 42 1HB PRO 42 -19.299 1.658 -11.295 297 HB3 PRO 42 2HB PRO 42 -19.819 0.261 -10.345 298 HG2 PRO 42 1HG PRO 42 -18.497 2.787 -9.432 299 HG3 PRO 42 2HG PRO 42 -19.850 1.904 -8.700 300 HD2 PRO 42 1HD PRO 42 -17.313 1.711 -7.773 301 HD3 PRO 42 2HD PRO 42 -18.464 0.362 -7.694 302 H VAL 43 H VAL 43 -18.346 1.285 -12.948 303 HA VAL 43 HA VAL 43 -15.682 2.082 -13.747 304 HB VAL 43 HB VAL 43 -17.027 1.128 -15.472 305 HG11 VAL 43 1HG1 VAL 43 -19.129 2.474 -16.188 306 HG12 VAL 43 2HG1 VAL 43 -19.239 1.352 -14.830 307 HG13 VAL 43 3HG1 VAL 43 -19.085 3.085 -14.535 308 HG21 VAL 43 1HG2 VAL 43 -17.196 4.026 -16.169 309 HG22 VAL 43 2HG2 VAL 43 -15.620 3.294 -15.872 310 HG23 VAL 43 3HG2 VAL 43 -16.657 2.664 -17.151 311 H GLU 44 H GLU 44 -18.208 3.486 -12.033 312 HA GLU 44 HA GLU 44 -17.376 6.207 -12.782 313 HB2 GLU 44 1HB GLU 44 -19.887 5.206 -11.434 314 HB3 GLU 44 2HB GLU 44 -19.488 6.909 -11.614 315 HG2 GLU 44 1HG GLU 44 -19.426 6.573 -14.074 316 HG3 GLU 44 2HG GLU 44 -19.997 4.925 -13.816 317 H THR 45 H THR 45 -18.680 4.698 -9.829 318 HA THR 45 HA THR 45 -17.312 6.462 -8.093 319 HB THR 45 HB THR 45 -18.483 3.748 -7.454 320 HG1 THR 45 1HG THR 45 -20.134 5.013 -8.202 321 HG21 THR 45 1HG2 THR 45 -17.206 5.842 -5.835 322 HG22 THR 45 2HG2 THR 45 -17.450 4.131 -5.487 323 HG23 THR 45 3HG2 THR 45 -18.760 5.281 -5.222 324 H THR 46 H THR 46 -15.174 6.524 -7.884 325 HA THR 46 HA THR 46 -13.689 3.978 -7.860 326 HB THR 46 HB THR 46 -11.697 5.272 -8.522 327 HG1 THR 46 1HG THR 46 -11.761 7.377 -8.413 328 HG21 THR 46 1HG2 THR 46 -12.627 5.997 -10.832 329 HG22 THR 46 2HG2 THR 46 -14.151 5.333 -10.242 330 HG23 THR 46 3HG2 THR 46 -12.728 4.299 -10.367 331 H TYR 47 H TYR 47 -12.420 3.488 -6.150 332 HA TYR 47 HA TYR 47 -12.710 5.092 -3.767 333 HB2 TYR 47 1HB TYR 47 -11.180 2.518 -4.201 334 HB3 TYR 47 2HB TYR 47 -11.542 3.252 -2.643 335 HD1 TYR 47 2HD TYR 47 -14.321 3.986 -2.811 336 HD2 TYR 47 1HD TYR 47 -12.370 0.545 -4.376 337 HE1 TYR 47 2HE TYR 47 -16.444 2.747 -2.716 338 HE2 TYR 47 1HE TYR 47 -14.487 -0.704 -4.287 339 HH TYR 47 HH TYR 47 -17.369 0.573 -4.131 340 H ASN 48 H ASN 48 -10.960 5.872 -2.490 341 HA ASN 48 HA ASN 48 -8.673 6.710 -4.120 342 HB2 ASN 48 1HB ASN 48 -10.137 8.401 -2.906 343 HB3 ASN 48 2HB ASN 48 -9.447 7.784 -1.408 344 HD21 ASN 48 1HD2 ASN 48 -7.090 7.864 -1.216 345 HD22 ASN 48 2HD2 ASN 48 -6.248 9.186 -1.944 346 H TYR 49 H TYR 49 -6.580 6.296 -3.549 347 HA TYR 49 HA TYR 49 -6.204 4.392 -1.336 348 HB2 TYR 49 1HB TYR 49 -4.308 4.786 -3.646 349 HB3 TYR 49 2HB TYR 49 -4.399 3.426 -2.532 350 HD1 TYR 49 2HD TYR 49 -5.916 5.012 -5.474 351 HD2 TYR 49 1HD TYR 49 -6.030 1.671 -2.842 352 HE1 TYR 49 2HE TYR 49 -7.371 3.821 -7.059 353 HE2 TYR 49 1HE TYR 49 -7.485 0.470 -4.420 354 HH TYR 49 HH TYR 49 -8.666 2.021 -7.374 355 H GLU 50 H GLU 50 -5.300 5.233 0.411 356 HA GLU 50 HA GLU 50 -3.335 7.403 0.074 357 HB2 GLU 50 1HB GLU 50 -5.231 8.318 1.183 358 HB3 GLU 50 2HB GLU 50 -5.364 6.929 2.251 359 HG2 GLU 50 1HG GLU 50 -3.322 7.556 3.381 360 HG3 GLU 50 2HG GLU 50 -3.093 8.902 2.266 361 H TRP 51 H TRP 51 -1.391 6.463 0.230 362 HA TRP 51 HA TRP 51 -0.944 4.295 2.114 363 HB2 TRP 51 1HB TRP 51 0.865 5.598 0.071 364 HB3 TRP 51 2HB TRP 51 1.348 4.259 1.108 365 HD1 TRP 51 HD TRP 51 -0.926 5.063 -1.874 366 HE1 TRP 51 1HE TRP 51 -1.551 2.857 -3.043 367 HE3 TRP 51 3HE TRP 51 1.082 1.770 1.481 368 HZ2 TRP 51 2HZ TRP 51 -1.236 0.087 -2.601 369 HZ3 TRP 51 3HZ TRP 51 0.876 -0.641 1.034 370 HH2 TRP 51 HH TRP 51 -0.259 -1.463 -0.965 371 H ASN 52 H ASN 52 0.729 4.341 3.705 372 HA ASN 52 HA ASN 52 2.018 6.812 4.391 373 HB2 ASN 52 1HB ASN 52 -0.392 5.869 5.896 374 HB3 ASN 52 2HB ASN 52 0.914 6.657 6.777 375 HD21 ASN 52 1HD2 ASN 52 -1.869 7.105 4.977 376 HD22 ASN 52 2HD2 ASN 52 -1.735 8.807 4.710 377 H LEU 53 H LEU 53 3.596 6.570 6.031 378 HA LEU 53 HA LEU 53 4.336 3.770 6.503 379 HB2 LEU 53 1HB LEU 53 5.907 5.382 5.346 380 HB3 LEU 53 2HB LEU 53 6.064 6.200 6.899 381 HG LEU 53 HG LEU 53 7.107 4.277 7.878 382 HD11 LEU 53 1HD1 LEU 53 6.149 2.930 5.405 383 HD12 LEU 53 2HD1 LEU 53 6.132 2.372 7.078 384 HD13 LEU 53 3HD1 LEU 53 7.637 2.357 6.159 385 HD21 LEU 53 1HD2 LEU 53 8.693 4.074 5.495 386 HD22 LEU 53 2HD2 LEU 53 9.061 4.883 7.018 387 HD23 LEU 53 3HD2 LEU 53 8.190 5.745 5.749 388 H ILE 54 H ILE 54 3.986 2.936 8.442 389 HA ILE 54 HA ILE 54 3.782 4.759 10.746 390 HB ILE 54 HB ILE 54 2.493 2.910 11.839 391 HG12 ILE 54 1HG1 ILE 54 3.461 1.272 9.980 392 HG13 ILE 54 2HG1 ILE 54 1.906 0.977 10.750 393 HG21 ILE 54 1HG2 ILE 54 0.413 3.370 10.634 394 HG22 ILE 54 2HG2 ILE 54 1.375 4.832 10.846 395 HG23 ILE 54 3HG2 ILE 54 1.341 4.019 9.282 396 HD11 ILE 54 1HD1 ILE 54 1.988 0.722 8.247 397 HD12 ILE 54 2HD1 ILE 54 0.721 1.774 8.879 398 HD13 ILE 54 3HD1 ILE 54 2.173 2.474 8.164 399 H SER 55 H SER 55 5.226 1.807 9.533 400 HA SER 55 HA SER 55 6.909 1.698 11.951 401 HB2 SER 55 1HB SER 55 5.582 -0.452 10.379 402 HB3 SER 55 2HB SER 55 7.188 -0.797 11.020 403 HG SER 55 HG SER 55 5.432 -1.342 12.455 404 H HIS 56 H HIS 56 8.910 2.344 11.559 405 HA HIS 56 HA HIS 56 10.399 1.303 9.329 406 HB2 HIS 56 1HB HIS 56 10.895 3.340 8.216 407 HB3 HIS 56 2HB HIS 56 9.145 3.316 8.414 408 HD1 HIS 56 1HD HIS 56 12.057 4.626 10.504 409 HD2 HIS 56 2HD HIS 56 8.276 5.741 9.190 410 HE1 HIS 56 1HE HIS 56 11.674 6.930 11.436 411 HE2 HIS 56 2HE HIS 56 9.346 7.550 10.699 412 HA PRO 57 HA PRO 57 13.631 1.703 12.285 413 HB2 PRO 57 1HB PRO 57 15.775 1.571 10.624 414 HB3 PRO 57 2HB PRO 57 14.779 0.166 11.021 415 HG2 PRO 57 1HG PRO 57 14.707 1.913 8.592 416 HG3 PRO 57 2HG PRO 57 14.601 0.147 8.702 417 HD2 PRO 57 1HD PRO 57 12.422 1.718 8.369 418 HD3 PRO 57 2HD PRO 57 12.368 0.190 9.271 419 H THR 58 H THR 58 15.294 3.121 13.005 420 HA THR 58 HA THR 58 14.828 5.848 12.478 421 HB THR 58 HB THR 58 15.883 4.715 14.573 422 HG1 THR 58 1HG THR 58 16.905 7.178 13.558 423 HG21 THR 58 1HG2 THR 58 18.143 4.368 14.649 424 HG22 THR 58 2HG2 THR 58 18.480 5.564 13.398 425 HG23 THR 58 3HG2 THR 58 17.852 3.976 12.955 426 H ASP 59 H ASP 59 16.933 3.530 11.016 427 HA ASP 59 HA ASP 59 18.876 5.259 9.939 428 HB2 ASP 59 1HB ASP 59 17.849 2.616 8.881 429 HB3 ASP 59 2HB ASP 59 19.312 3.427 8.327 430 H TYR 60 H TYR 60 15.643 4.423 8.917 431 HA TYR 60 HA TYR 60 15.971 5.777 6.360 432 HB2 TYR 60 1HB TYR 60 14.649 3.629 6.641 433 HB3 TYR 60 2HB TYR 60 13.436 4.584 7.485 434 HD1 TYR 60 1HD TYR 60 15.385 4.758 4.293 435 HD2 TYR 60 2HD TYR 60 11.634 5.277 6.234 436 HE1 TYR 60 1HE TYR 60 14.358 5.347 2.137 437 HE2 TYR 60 2HE TYR 60 10.596 5.866 4.083 438 HH TYR 60 HH TYR 60 11.371 5.210 1.425 439 H GLN 61 H GLN 61 15.313 7.793 5.934 440 HA GLN 61 HA GLN 61 14.491 9.494 8.074 441 HB2 GLN 61 1HB GLN 61 14.891 9.916 5.121 442 HB3 GLN 61 2HB GLN 61 14.270 11.191 6.160 443 HG2 GLN 61 1HG GLN 61 16.349 10.799 7.587 444 HG3 GLN 61 2HG GLN 61 16.965 9.884 6.212 445 HE21 GLN 61 1HE2 GLN 61 18.657 11.501 6.211 446 HE22 GLN 61 2HE2 GLN 61 18.389 13.006 5.406 447 H GLY 62 H GLY 62 12.890 8.091 5.252 448 HA2 GLY 62 1HA GLY 62 10.589 7.483 5.276 449 HA3 GLY 62 2HA GLY 62 10.311 8.699 6.514 450 H GLU 63 H GLU 63 10.723 8.116 3.094 451 HA GLU 63 HA GLU 63 9.488 10.730 2.570 452 HB2 GLU 63 1HB GLU 63 11.734 9.531 0.940 453 HB3 GLU 63 2HB GLU 63 10.918 11.055 0.623 454 HG2 GLU 63 1HG GLU 63 11.735 11.841 2.862 455 HG3 GLU 63 2HG GLU 63 12.721 10.382 2.929 456 H ILE 64 H ILE 64 7.503 10.120 1.942 457 HA ILE 64 HA ILE 64 7.291 8.474 -0.457 458 HB ILE 64 HB ILE 64 5.544 7.902 1.933 459 HG12 ILE 64 1HG1 ILE 64 7.857 6.240 0.917 460 HG13 ILE 64 2HG1 ILE 64 7.944 7.290 2.327 461 HG21 ILE 64 1HG2 ILE 64 5.978 6.318 -0.593 462 HG22 ILE 64 2HG2 ILE 64 4.796 6.002 0.676 463 HG23 ILE 64 3HG2 ILE 64 4.639 7.437 -0.337 464 HD11 ILE 64 1HD1 ILE 64 7.599 5.009 3.010 465 HD12 ILE 64 2HD1 ILE 64 6.164 5.965 3.386 466 HD13 ILE 64 3HD1 ILE 64 6.166 4.888 1.989 467 H LYS 65 H LYS 65 5.342 8.776 -1.623 468 HA LYS 65 HA LYS 65 4.035 11.327 -1.013 469 HB2 LYS 65 1HB LYS 65 3.983 9.710 -3.567 470 HB3 LYS 65 2HB LYS 65 3.324 11.325 -3.349 471 HG2 LYS 65 1HG LYS 65 5.304 11.868 -4.308 472 HG3 LYS 65 2HG LYS 65 5.815 11.844 -2.619 473 HD2 LYS 65 1HD LYS 65 6.522 9.476 -2.934 474 HD3 LYS 65 2HD LYS 65 6.145 9.638 -4.651 475 HE2 LYS 65 1HE LYS 65 7.866 11.186 -4.998 476 HE3 LYS 65 2HE LYS 65 8.021 11.534 -3.277 477 HZ1 LYS 65 1HZ LYS 65 9.732 10.123 -3.384 478 HZ2 LYS 65 2HZ LYS 65 9.225 9.435 -4.844 479 HZ3 LYS 65 3HZ LYS 65 8.562 8.900 -3.383 480 H GLN 66 H GLN 66 3.313 8.996 0.474 481 HA GLN 66 HA GLN 66 1.539 7.630 1.000 482 HB2 GLN 66 1HB GLN 66 0.127 10.200 0.267 483 HB3 GLN 66 2HB GLN 66 -0.567 8.903 1.230 484 HG2 GLN 66 1HG GLN 66 0.685 9.405 3.069 485 HG3 GLN 66 2HG GLN 66 2.002 10.093 2.121 486 HE21 GLN 66 1HE2 GLN 66 -1.292 10.661 3.224 487 HE22 GLN 66 2HE2 GLN 66 -1.196 12.386 3.208 488 H GLY 67 H GLY 67 2.351 7.564 -1.851 489 HA2 GLY 67 1HA GLY 67 1.495 6.986 -3.940 490 HA3 GLY 67 2HA GLY 67 0.758 5.733 -2.953 491 H HIS 68 H HIS 68 0.247 9.051 -4.105 492 HA HIS 68 HA HIS 68 -2.431 9.326 -3.437 493 HB2 HIS 68 1HB HIS 68 -1.057 10.415 -5.902 494 HB3 HIS 68 2HB HIS 68 -2.547 11.026 -5.192 495 HD1 HIS 68 1HD HIS 68 -1.901 11.391 -2.317 496 HD2 HIS 68 2HD HIS 68 0.853 12.224 -5.315 497 HE1 HIS 68 1HE HIS 68 -0.262 13.003 -1.296 498 HE2 HIS 68 2HE HIS 68 1.345 13.559 -3.154 499 H LYS 69 H LYS 69 -1.020 7.185 -5.644 500 HA LYS 69 HA LYS 69 -3.568 6.795 -7.062 501 HB2 LYS 69 1HB LYS 69 -0.713 6.279 -7.788 502 HB3 LYS 69 2HB LYS 69 -1.968 5.286 -8.517 503 HG2 LYS 69 1HG LYS 69 -1.796 6.938 -10.076 504 HG3 LYS 69 2HG LYS 69 -3.058 7.616 -9.044 505 HD2 LYS 69 1HD LYS 69 -1.017 8.676 -7.780 506 HD3 LYS 69 2HD LYS 69 -0.193 8.408 -9.318 507 HE2 LYS 69 1HE LYS 69 -1.720 9.791 -10.481 508 HE3 LYS 69 2HE LYS 69 -2.839 9.826 -9.119 509 HZ1 LYS 69 1HZ LYS 69 -1.610 11.369 -8.027 510 HZ2 LYS 69 2HZ LYS 69 -1.194 11.801 -9.608 511 HZ3 LYS 69 3HZ LYS 69 -0.138 10.856 -8.684 512 H GLN 70 H GLN 70 -3.529 4.286 -7.873 513 HA GLN 70 HA GLN 70 -4.065 2.800 -5.497 514 HB2 GLN 70 1HB GLN 70 -5.390 2.497 -7.539 515 HB3 GLN 70 2HB GLN 70 -3.968 1.896 -8.381 516 HG2 GLN 70 1HG GLN 70 -3.890 0.084 -6.586 517 HG3 GLN 70 2HG GLN 70 -5.528 0.594 -6.181 518 HE21 GLN 70 1HE2 GLN 70 -5.782 -1.762 -6.794 519 HE22 GLN 70 2HE2 GLN 70 -6.168 -2.089 -8.446 520 H THR 71 H THR 71 -1.333 3.160 -7.563 521 HA THR 71 HA THR 71 0.000 0.901 -6.219 522 HB THR 71 HB THR 71 1.670 1.305 -8.246 523 HG1 THR 71 1HG THR 71 0.653 2.070 -10.048 524 HG21 THR 71 1HG2 THR 71 -0.615 -0.135 -9.296 525 HG22 THR 71 2HG2 THR 71 -0.292 -0.563 -7.616 526 HG23 THR 71 3HG2 THR 71 0.975 -0.736 -8.830 527 H LEU 72 H LEU 72 1.887 1.243 -5.152 528 HA LEU 72 HA LEU 72 2.920 4.003 -5.123 529 HB2 LEU 72 1HB LEU 72 1.845 3.518 -3.032 530 HB3 LEU 72 2HB LEU 72 2.726 2.000 -2.882 531 HG LEU 72 HG LEU 72 4.829 3.317 -2.660 532 HD11 LEU 72 1HD1 LEU 72 3.664 5.360 -3.779 533 HD12 LEU 72 2HD1 LEU 72 4.873 5.614 -2.521 534 HD13 LEU 72 3HD1 LEU 72 3.157 5.732 -2.131 535 HD21 LEU 72 1HD2 LEU 72 4.550 3.710 -0.381 536 HD22 LEU 72 2HD2 LEU 72 3.324 2.495 -0.747 537 HD23 LEU 72 3HD2 LEU 72 2.863 4.189 -0.572 538 H ASN 73 H ASN 73 4.969 4.249 -5.721 539 HA ASN 73 HA ASN 73 6.721 1.879 -5.701 540 HB2 ASN 73 1HB ASN 73 6.245 3.972 -7.756 541 HB3 ASN 73 2HB ASN 73 7.904 3.414 -7.560 542 HD21 ASN 73 1HD2 ASN 73 4.628 2.063 -7.756 543 HD22 ASN 73 2HD2 ASN 73 5.050 0.752 -8.800 544 H LEU 74 H LEU 74 8.456 2.011 -4.445 545 HA LEU 74 HA LEU 74 9.278 4.658 -3.467 546 HB2 LEU 74 1HB LEU 74 9.316 1.920 -2.305 547 HB3 LEU 74 2HB LEU 74 10.562 3.060 -1.799 548 HG LEU 74 HG LEU 74 8.559 4.626 -1.273 549 HD11 LEU 74 1HD1 LEU 74 6.860 3.237 -2.357 550 HD12 LEU 74 2HD1 LEU 74 6.522 3.460 -0.641 551 HD13 LEU 74 3HD1 LEU 74 7.198 1.936 -1.216 552 HD21 LEU 74 1HD2 LEU 74 9.778 4.022 0.569 553 HD22 LEU 74 2HD2 LEU 74 9.583 2.295 0.272 554 HD23 LEU 74 3HD2 LEU 74 8.244 3.233 0.934 555 H SER 75 H SER 75 11.616 4.948 -3.049 556 HA SER 75 HA SER 75 13.401 3.318 -4.672 557 HB2 SER 75 1HB SER 75 14.276 5.205 -5.934 558 HB3 SER 75 2HB SER 75 12.539 5.074 -6.207 559 HG SER 75 HG SER 75 12.465 7.067 -5.570 560 H GLN 76 H GLN 76 15.712 4.447 -4.536 561 HA GLN 76 HA GLN 76 17.483 4.613 -3.088 562 HB2 GLN 76 1HB GLN 76 15.744 6.883 -2.105 563 HB3 GLN 76 2HB GLN 76 17.467 6.715 -1.795 564 HG2 GLN 76 1HG GLN 76 17.952 6.937 -4.148 565 HG3 GLN 76 2HG GLN 76 16.231 6.987 -4.525 566 HE21 GLN 76 1HE2 GLN 76 15.135 8.867 -4.332 567 HE22 GLN 76 2HE2 GLN 76 15.858 10.367 -3.872 568 H LEU 77 H LEU 77 15.487 2.743 -2.212 569 HA LEU 77 HA LEU 77 15.130 3.105 0.625 570 HB2 LEU 77 1HB LEU 77 14.553 0.844 -1.269 571 HB3 LEU 77 2HB LEU 77 14.309 0.703 0.471 572 HG LEU 77 HG LEU 77 12.967 2.850 -1.147 573 HD11 LEU 77 1HD1 LEU 77 10.965 1.261 -1.018 574 HD12 LEU 77 2HD1 LEU 77 12.158 -0.011 -0.761 575 HD13 LEU 77 3HD1 LEU 77 12.192 0.942 -2.244 576 HD21 LEU 77 1HD2 LEU 77 12.202 1.517 1.447 577 HD22 LEU 77 2HD2 LEU 77 11.432 2.917 0.699 578 HD23 LEU 77 3HD2 LEU 77 13.075 3.045 1.328 579 H SER 78 H SER 78 16.228 2.128 2.270 580 HA SER 78 HA SER 78 18.709 0.736 1.511 581 HB2 SER 78 1HB SER 78 19.569 1.471 3.732 582 HB3 SER 78 2HB SER 78 19.139 2.820 2.682 583 HG SER 78 HG SER 78 17.093 2.854 3.824 584 H VAL 79 H VAL 79 19.497 -0.888 3.091 585 HA VAL 79 HA VAL 79 17.732 -2.973 3.442 586 HB VAL 79 HB VAL 79 19.980 -3.566 3.588 587 HG11 VAL 79 1HG1 VAL 79 20.932 -2.251 5.943 588 HG12 VAL 79 2HG1 VAL 79 21.546 -2.158 4.291 589 HG13 VAL 79 3HG1 VAL 79 20.278 -1.054 4.825 590 HG21 VAL 79 1HG2 VAL 79 18.363 -4.509 5.413 591 HG22 VAL 79 2HG2 VAL 79 20.087 -4.877 5.479 592 HG23 VAL 79 3HG2 VAL 79 19.413 -3.621 6.518 593 H GLY 80 H GLY 80 16.021 -3.233 4.709 594 HA2 GLY 80 1HA GLY 80 15.862 -3.067 7.418 595 HA3 GLY 80 2HA GLY 80 15.508 -1.427 6.895 596 H LEU 81 H LEU 81 13.591 -2.649 8.284 597 HA LEU 81 HA LEU 81 11.707 -3.832 6.387 598 HB2 LEU 81 1HB LEU 81 12.005 -4.970 8.513 599 HB3 LEU 81 2HB LEU 81 11.568 -3.499 9.380 600 HG LEU 81 HG LEU 81 9.294 -3.669 8.337 601 HD11 LEU 81 1HD1 LEU 81 8.677 -5.364 6.983 602 HD12 LEU 81 2HD1 LEU 81 9.723 -6.534 7.786 603 HD13 LEU 81 3HD1 LEU 81 10.400 -5.406 6.612 604 HD21 LEU 81 1HD2 LEU 81 10.319 -4.855 10.582 605 HD22 LEU 81 2HD2 LEU 81 9.516 -6.202 9.774 606 HD23 LEU 81 3HD2 LEU 81 8.606 -4.744 10.174 607 H TYR 82 H TYR 82 9.852 -2.860 5.743 608 HA TYR 82 HA TYR 82 9.135 -0.280 6.941 609 HB2 TYR 82 1HB TYR 82 9.282 -0.747 3.957 610 HB3 TYR 82 2HB TYR 82 8.858 0.756 4.770 611 HD1 TYR 82 2HD TYR 82 10.603 2.030 5.995 612 HD2 TYR 82 1HD TYR 82 11.559 -1.381 3.639 613 HE1 TYR 82 2HE TYR 82 12.966 2.713 5.976 614 HE2 TYR 82 1HE TYR 82 13.925 -0.709 3.615 615 HH TYR 82 HH TYR 82 15.095 1.919 3.983 616 H VAL 83 H VAL 83 7.008 -0.018 7.251 617 HA VAL 83 HA VAL 83 5.192 -1.973 5.996 618 HB VAL 83 HB VAL 83 4.652 -0.593 8.616 619 HG11 VAL 83 1HG1 VAL 83 3.116 -2.493 8.933 620 HG12 VAL 83 2HG1 VAL 83 2.719 -1.538 7.503 621 HG13 VAL 83 3HG1 VAL 83 3.546 -3.086 7.329 622 HG21 VAL 83 1HG2 VAL 83 5.406 -2.671 9.724 623 HG22 VAL 83 2HG2 VAL 83 6.014 -3.248 8.172 624 HG23 VAL 83 3HG2 VAL 83 6.717 -1.811 8.916 625 H PHE 84 H PHE 84 3.936 -1.071 4.514 626 HA PHE 84 HA PHE 84 3.174 1.751 4.824 627 HB2 PHE 84 1HB PHE 84 2.924 0.139 2.291 628 HB3 PHE 84 2HB PHE 84 2.948 1.890 2.472 629 HD1 PHE 84 2HD PHE 84 5.121 2.957 3.301 630 HD2 PHE 84 1HD PHE 84 4.874 -1.024 1.815 631 HE1 PHE 84 2HE PHE 84 7.545 2.967 2.881 632 HE2 PHE 84 1HE PHE 84 7.298 -1.021 1.393 633 HZ PHE 84 HZ PHE 84 8.636 0.977 1.925 634 H LYS 85 H LYS 85 1.203 2.083 5.587 635 HA LYS 85 HA LYS 85 -0.858 0.037 5.180 636 HB2 LYS 85 1HB LYS 85 -0.528 0.639 7.488 637 HB3 LYS 85 2HB LYS 85 -0.670 2.352 7.112 638 HG2 LYS 85 1HG LYS 85 -3.022 1.961 6.441 639 HG3 LYS 85 2HG LYS 85 -2.855 0.285 6.969 640 HD2 LYS 85 1HD LYS 85 -3.751 1.227 8.859 641 HD3 LYS 85 2HD LYS 85 -2.029 1.417 9.198 642 HE2 LYS 85 1HE LYS 85 -2.731 3.538 9.645 643 HE3 LYS 85 2HE LYS 85 -2.405 3.704 7.921 644 HZ1 LYS 85 1HZ LYS 85 -5.086 2.958 8.913 645 HZ2 LYS 85 2HZ LYS 85 -4.660 3.609 7.411 646 HZ3 LYS 85 3HZ LYS 85 -4.613 4.578 8.797 647 H VAL 86 H VAL 86 -2.095 0.341 3.451 648 HA VAL 86 HA VAL 86 -2.596 3.040 2.462 649 HB VAL 86 HB VAL 86 -2.049 1.649 0.678 650 HG11 VAL 86 1HG1 VAL 86 -3.583 -0.417 2.174 651 HG12 VAL 86 2HG1 VAL 86 -3.430 -0.579 0.423 652 HG13 VAL 86 3HG1 VAL 86 -1.986 -0.512 1.433 653 HG21 VAL 86 1HG2 VAL 86 -5.030 1.329 0.613 654 HG22 VAL 86 2HG2 VAL 86 -4.274 2.917 0.484 655 HG23 VAL 86 3HG2 VAL 86 -3.923 1.674 -0.716 656 H THR 87 H THR 87 -4.250 4.092 3.341 657 HA THR 87 HA THR 87 -6.571 2.622 4.325 658 HB THR 87 HB THR 87 -6.382 5.600 4.486 659 HG1 THR 87 1HG THR 87 -4.449 5.306 5.359 660 HG21 THR 87 1HG2 THR 87 -7.756 5.374 6.317 661 HG22 THR 87 2HG2 THR 87 -7.140 3.771 6.717 662 HG23 THR 87 3HG2 THR 87 -8.257 3.975 5.368 663 H VAL 88 H VAL 88 -8.038 2.146 2.814 664 HA VAL 88 HA VAL 88 -8.750 4.229 0.854 665 HB VAL 88 HB VAL 88 -9.045 1.231 0.615 666 HG11 VAL 88 1HG1 VAL 88 -10.112 3.496 -0.981 667 HG12 VAL 88 2HG1 VAL 88 -9.539 2.070 -1.850 668 HG13 VAL 88 3HG1 VAL 88 -10.818 1.915 -0.644 669 HG21 VAL 88 1HG2 VAL 88 -7.162 1.186 -0.630 670 HG22 VAL 88 2HG2 VAL 88 -7.459 2.776 -1.333 671 HG23 VAL 88 3HG2 VAL 88 -6.773 2.642 0.287 672 H SER 89 H SER 89 -10.524 5.258 1.509 673 HA SER 89 HA SER 89 -12.829 3.643 2.352 674 HB2 SER 89 1HB SER 89 -13.399 5.270 4.077 675 HB3 SER 89 2HB SER 89 -11.773 4.647 4.360 676 HG SER 89 HG SER 89 -11.922 6.910 2.780 677 H SER 90 H SER 90 -14.894 4.657 1.996 678 HA SER 90 HA SER 90 -14.813 6.811 -0.013 679 HB2 SER 90 1HB SER 90 -15.352 4.435 -0.865 680 HB3 SER 90 2HB SER 90 -16.896 4.635 -0.036 681 HG SER 90 HG SER 90 -17.523 5.777 -1.669 682 H GLU 91 H GLU 91 -17.365 7.439 -0.340 683 HA GLU 91 HA GLU 91 -18.036 9.045 1.788 684 HB2 GLU 91 1HB GLU 91 -18.997 9.236 -0.485 685 HB3 GLU 91 2HB GLU 91 -19.964 7.800 -0.180 686 HG2 GLU 91 1HG GLU 91 -21.440 9.544 0.196 687 HG3 GLU 91 2HG GLU 91 -20.910 9.095 1.816 688 H ASN 92 H ASN 92 -19.566 5.922 0.986 689 HA ASN 92 HA ASN 92 -20.376 5.709 3.812 690 HB2 ASN 92 1HB ASN 92 -22.202 5.891 2.026 691 HB3 ASN 92 2HB ASN 92 -21.714 4.276 1.521 692 HD21 ASN 92 1HD2 ASN 92 -23.738 6.012 3.487 693 HD22 ASN 92 2HD2 ASN 92 -24.206 4.757 4.577 694 H ALA 93 H ALA 93 -17.819 4.920 2.949 695 HA ALA 93 HA ALA 93 -17.865 2.156 3.779 696 HB1 ALA 93 1HB ALA 93 -16.206 2.344 1.402 697 HB2 ALA 93 2HB ALA 93 -17.403 1.129 1.855 698 HB3 ALA 93 3HB ALA 93 -17.915 2.617 1.059 699 H PHE 94 H PHE 94 -15.699 1.321 4.226 700 HA PHE 94 HA PHE 94 -13.479 3.158 4.204 701 HB2 PHE 94 1HB PHE 94 -14.833 3.838 6.216 702 HB3 PHE 94 2HB PHE 94 -14.528 2.239 6.885 703 HD1 PHE 94 2HD PHE 94 -12.156 1.554 7.352 704 HD2 PHE 94 1HD PHE 94 -13.252 5.556 6.401 705 HE1 PHE 94 2HE PHE 94 -10.033 2.358 8.301 706 HE2 PHE 94 1HE PHE 94 -11.130 6.366 7.348 707 HZ PHE 94 HZ PHE 94 -9.518 4.766 8.300 708 H GLY 95 H GLY 95 -11.543 2.115 4.297 709 HA2 GLY 95 1HA GLY 95 -11.263 -0.511 5.426 710 HA3 GLY 95 2HA GLY 95 -11.292 -0.533 3.669 711 H GLU 96 H GLU 96 -9.101 -1.378 5.227 712 HA GLU 96 HA GLU 96 -7.040 0.253 4.054 713 HB2 GLU 96 1HB GLU 96 -5.858 0.395 6.364 714 HB3 GLU 96 2HB GLU 96 -7.093 1.579 5.958 715 HG2 GLU 96 1HG GLU 96 -7.760 1.040 8.057 716 HG3 GLU 96 2HG GLU 96 -8.670 -0.163 7.146 717 H GLY 97 H GLY 97 -4.957 -0.754 4.102 718 HA2 GLY 97 1HA GLY 97 -5.031 -3.588 4.932 719 HA3 GLY 97 2HA GLY 97 -4.384 -3.098 3.374 720 H PHE 98 H PHE 98 -2.587 -4.443 4.466 721 HA PHE 98 HA PHE 98 -0.616 -2.545 5.424 722 HB2 PHE 98 1HB PHE 98 -1.530 -4.908 7.061 723 HB3 PHE 98 2HB PHE 98 0.035 -4.139 7.303 724 HD1 PHE 98 2HD PHE 98 -3.608 -3.411 7.229 725 HD2 PHE 98 1HD PHE 98 0.227 -2.306 8.707 726 HE1 PHE 98 2HE PHE 98 -4.660 -1.748 8.706 727 HE2 PHE 98 1HE PHE 98 -0.819 -0.642 10.188 728 HZ PHE 98 HZ PHE 98 -3.265 -0.361 10.188 729 H VAL 99 H VAL 99 1.286 -2.943 4.498 730 HA VAL 99 HA VAL 99 1.916 -5.685 3.651 731 HB VAL 99 HB VAL 99 1.033 -4.159 1.758 732 HG11 VAL 99 1HG1 VAL 99 2.523 -2.249 2.511 733 HG12 VAL 99 2HG1 VAL 99 3.864 -3.146 1.797 734 HG13 VAL 99 3HG1 VAL 99 2.521 -2.611 0.785 735 HG21 VAL 99 1HG2 VAL 99 1.854 -5.967 0.736 736 HG22 VAL 99 2HG2 VAL 99 3.305 -5.007 0.448 737 HG23 VAL 99 3HG2 VAL 99 3.220 -6.078 1.847 738 H ASN 100 H ASN 100 3.844 -6.301 4.359 739 HA ASN 100 HA ASN 100 5.725 -4.259 5.292 740 HB2 ASN 100 1HB ASN 100 5.790 -7.246 5.768 741 HB3 ASN 100 2HB ASN 100 6.778 -6.029 6.571 742 HD21 ASN 100 1HD2 ASN 100 5.920 -6.982 8.525 743 HD22 ASN 100 2HD2 ASN 100 4.377 -6.472 9.109 744 H VAL 101 H VAL 101 7.612 -3.877 4.310 745 HA VAL 101 HA VAL 101 8.500 -5.766 2.227 746 HB VAL 101 HB VAL 101 8.694 -2.751 2.140 747 HG11 VAL 101 1HG1 VAL 101 10.186 -2.925 0.495 748 HG12 VAL 101 2HG1 VAL 101 10.379 -4.613 0.972 749 HG13 VAL 101 3HG1 VAL 101 9.254 -4.182 -0.318 750 HG21 VAL 101 1HG2 VAL 101 6.810 -4.720 0.967 751 HG22 VAL 101 2HG2 VAL 101 6.526 -3.068 1.518 752 HG23 VAL 101 3HG2 VAL 101 7.300 -3.358 -0.040 753 H THR 102 H THR 102 10.422 -6.613 2.639 754 HA THR 102 HA THR 102 12.234 -5.199 4.471 755 HB THR 102 HB THR 102 12.181 -8.117 3.677 756 HG1 THR 102 1HG THR 102 10.539 -7.231 5.195 757 HG21 THR 102 1HG2 THR 102 13.760 -8.009 5.861 758 HG22 THR 102 2HG2 THR 102 14.167 -6.467 5.109 759 HG23 THR 102 3HG2 THR 102 14.376 -7.969 4.210 760 H VAL 103 H VAL 103 14.293 -4.679 3.895 761 HA VAL 103 HA VAL 103 15.038 -5.189 1.090 762 HB VAL 103 HB VAL 103 15.861 -2.880 2.857 763 HG11 VAL 103 1HG1 VAL 103 16.986 -1.982 0.934 764 HG12 VAL 103 2HG1 VAL 103 17.587 -3.616 1.226 765 HG13 VAL 103 3HG1 VAL 103 16.428 -3.319 -0.071 766 HG21 VAL 103 1HG2 VAL 103 13.696 -3.268 0.887 767 HG22 VAL 103 2HG2 VAL 103 13.779 -2.198 2.286 768 HG23 VAL 103 3HG2 VAL 103 14.584 -1.748 0.783 769 H LYS 104 H LYS 104 16.531 -6.723 0.947 770 HA LYS 104 HA LYS 104 18.292 -7.357 3.129 771 HB2 LYS 104 1HB LYS 104 18.284 -8.403 0.291 772 HB3 LYS 104 2HB LYS 104 19.160 -9.101 1.647 773 HG2 LYS 104 1HG LYS 104 16.170 -8.817 1.627 774 HG3 LYS 104 2HG LYS 104 17.004 -10.237 0.989 775 HD2 LYS 104 1HD LYS 104 18.121 -10.471 3.220 776 HD3 LYS 104 2HD LYS 104 17.067 -9.187 3.815 777 HE2 LYS 104 1HE LYS 104 15.819 -10.997 4.414 778 HE3 LYS 104 2HE LYS 104 15.196 -10.750 2.783 779 HZ1 LYS 104 1HZ LYS 104 16.577 -12.984 3.844 780 HZ2 LYS 104 2HZ LYS 104 17.418 -12.364 2.514 781 HZ3 LYS 104 3HZ LYS 104 15.798 -12.824 2.351 782 HA PRO 105 HA PRO 105 21.645 -4.710 2.051 783 HB2 PRO 105 1HB PRO 105 23.649 -6.049 3.300 784 HB3 PRO 105 2HB PRO 105 22.436 -5.103 4.172 785 HG2 PRO 105 1HG PRO 105 22.566 -8.059 3.717 786 HG3 PRO 105 2HG PRO 105 22.149 -7.172 5.194 787 HD2 PRO 105 1HD PRO 105 20.275 -8.261 3.572 788 HD3 PRO 105 2HD PRO 105 19.989 -6.772 4.496 789 H ALA 106 H ALA 106 23.369 -4.569 0.624 790 HA ALA 106 HA ALA 106 23.447 -6.392 -1.509 791 HB1 ALA 106 1HB ALA 106 25.803 -5.044 -1.753 792 HB2 ALA 106 2HB ALA 106 24.238 -4.458 -2.318 793 HB3 ALA 106 3HB ALA 106 24.858 -3.943 -0.749 794 H ARG 107 H ARG 107 24.118 -8.432 -1.304 795 HA ARG 107 HA ARG 107 26.464 -9.002 0.364 796 HB2 ARG 107 1HB ARG 107 25.717 -11.404 0.067 797 HB3 ARG 107 2HB ARG 107 24.630 -10.370 0.984 798 HG2 ARG 107 1HG ARG 107 23.203 -10.111 -0.972 799 HG3 ARG 107 2HG ARG 107 24.304 -11.119 -1.915 800 HD2 ARG 107 1HD ARG 107 22.741 -12.677 -1.304 801 HD3 ARG 107 2HD ARG 107 23.882 -12.832 0.031 802 HE ARG 107 HE ARG 107 21.846 -10.914 0.583 803 HH11 ARG 107 2HH1 ARG 107 22.536 -14.326 0.511 804 HH12 ARG 107 1HH1 ARG 107 21.342 -14.725 1.701 805 HH21 ARG 107 2HH2 ARG 107 20.270 -11.428 2.150 806 HH22 ARG 107 1HH2 ARG 107 20.053 -13.076 2.632 807 H SER 108 H SER 108 28.007 -8.247 -1.157 808 HA SER 108 HA SER 108 28.217 -8.955 -3.823 809 HB2 SER 108 1HB SER 108 29.657 -7.263 -2.828 810 HB3 SER 108 2HB SER 108 30.439 -8.482 -1.820 811 HG SER 108 HG SER 108 31.472 -7.794 -3.914 812 H GLY 109 H GLY 109 27.852 -11.028 -4.422 813 HA2 GLY 109 1HA GLY 109 29.153 -13.030 -4.998 814 HA3 GLY 109 2HA GLY 109 29.705 -13.054 -3.330 815 HA PRO 110 HA PRO 110 25.862 -15.747 -4.011 816 HB2 PRO 110 1HB PRO 110 27.062 -18.164 -3.718 817 HB3 PRO 110 2HB PRO 110 26.886 -17.363 -5.284 818 HG2 PRO 110 1HG PRO 110 29.264 -17.471 -3.468 819 HG3 PRO 110 2HG PRO 110 29.193 -17.648 -5.232 820 HD2 PRO 110 1HD PRO 110 29.940 -15.341 -4.027 821 HD3 PRO 110 2HD PRO 110 29.082 -15.372 -5.581 822 H SER 111 H SER 111 25.231 -17.630 -2.439 823 HA SER 111 HA SER 111 26.244 -16.985 0.251 824 HB2 SER 111 1HB SER 111 23.431 -17.173 -0.756 825 HB3 SER 111 2HB SER 111 23.774 -17.640 0.909 826 HG SER 111 HG SER 111 24.721 -15.193 -0.110 827 H SER 112 H SER 112 24.203 -19.388 -1.422 828 HA SER 112 HA SER 112 24.798 -21.478 0.390 829 HB2 SER 112 1HB SER 112 22.795 -21.346 -1.157 830 HB3 SER 112 2HB SER 112 23.876 -21.818 -2.468 831 HG SER 112 HG SER 112 22.821 -23.623 -1.545 832 H GLY 113 H GLY 113 25.725 -23.629 -0.500 833 HA2 GLY 113 1HA GLY 113 27.361 -24.668 -1.936 834 HA3 GLY 113 2HA GLY 113 28.111 -23.093 -2.145 Start of MODEL 2 1 H1 GLY 1 H GLY 1 -23.166 15.770 22.828 2 HA2 GLY 1 1HA GLY 1 -20.543 16.801 22.818 3 HA3 GLY 1 2HA GLY 1 -21.307 15.938 21.492 4 H SER 2 H SER 2 -19.591 17.855 20.803 5 HA SER 2 HA SER 2 -21.189 20.250 20.221 6 HB2 SER 2 1HB SER 2 -18.997 20.615 21.308 7 HB3 SER 2 2HB SER 2 -18.202 19.827 19.945 8 HG SER 2 HG SER 2 -19.926 21.968 19.429 9 H SER 3 H SER 3 -18.999 17.931 18.649 10 HA SER 3 HA SER 3 -19.199 18.816 16.040 11 HB2 SER 3 1HB SER 3 -17.847 16.827 17.141 12 HB3 SER 3 2HB SER 3 -19.204 15.869 16.549 13 HG SER 3 HG SER 3 -17.416 16.093 15.053 14 H GLY 4 H GLY 4 -21.132 16.178 17.481 15 HA2 GLY 4 1HA GLY 4 -23.647 16.804 16.921 16 HA3 GLY 4 2HA GLY 4 -23.062 16.431 15.306 17 H SER 5 H SER 5 -24.492 15.183 18.050 18 HA SER 5 HA SER 5 -23.585 12.696 18.533 19 HB2 SER 5 1HB SER 5 -26.492 13.386 18.033 20 HB3 SER 5 2HB SER 5 -25.908 11.982 18.927 21 HG SER 5 HG SER 5 -25.969 13.266 20.584 22 H SER 6 H SER 6 -23.075 10.964 17.380 23 HA SER 6 HA SER 6 -23.462 10.832 14.585 24 HB2 SER 6 1HB SER 6 -22.367 8.700 14.688 25 HB3 SER 6 2HB SER 6 -21.592 9.740 15.883 26 HG SER 6 HG SER 6 -23.223 8.723 17.374 27 H GLY 7 H GLY 7 -25.094 10.068 13.403 28 HA2 GLY 7 1HA GLY 7 -27.367 8.872 14.797 29 HA3 GLY 7 2HA GLY 7 -27.370 9.508 13.159 30 HA PRO 8 HA PRO 8 -27.445 4.947 12.712 31 HB2 PRO 8 1HB PRO 8 -29.008 4.982 10.492 32 HB3 PRO 8 2HB PRO 8 -29.666 5.049 12.131 33 HG2 PRO 8 1HG PRO 8 -29.191 7.276 10.188 34 HG3 PRO 8 2HG PRO 8 -30.586 6.992 11.245 35 HD2 PRO 8 1HD PRO 8 -28.639 8.773 11.852 36 HD3 PRO 8 2HD PRO 8 -29.523 7.864 13.095 37 H ARG 9 H ARG 9 -26.017 7.482 11.138 38 HA ARG 9 HA ARG 9 -25.341 6.561 8.614 39 HB2 ARG 9 1HB ARG 9 -23.407 8.035 8.741 40 HB3 ARG 9 2HB ARG 9 -24.816 8.818 9.442 41 HG2 ARG 9 1HG ARG 9 -23.993 8.209 11.689 42 HG3 ARG 9 2HG ARG 9 -22.543 7.536 10.941 43 HD2 ARG 9 1HD ARG 9 -23.330 10.338 10.302 44 HD3 ARG 9 2HD ARG 9 -22.582 9.999 11.862 45 HE ARG 9 HE ARG 9 -21.003 8.791 9.928 46 HH11 ARG 9 2HH1 ARG 9 -22.016 12.006 10.802 47 HH12 ARG 9 1HH1 ARG 9 -20.578 12.762 10.201 48 HH21 ARG 9 2HH2 ARG 9 -19.106 9.776 9.133 49 HH22 ARG 9 1HH2 ARG 9 -18.923 11.493 9.251 50 H THR 10 H THR 10 -24.306 4.809 7.952 51 HA THR 10 HA THR 10 -22.066 3.769 9.515 52 HB THR 10 HB THR 10 -22.939 1.413 9.110 53 HG1 THR 10 1HG THR 10 -24.697 1.412 7.918 54 HG21 THR 10 1HG2 THR 10 -24.637 1.640 11.046 55 HG22 THR 10 2HG2 THR 10 -24.178 3.343 11.044 56 HG23 THR 10 3HG2 THR 10 -22.961 2.102 11.339 57 H VAL 11 H VAL 11 -20.485 2.781 8.307 58 HA VAL 11 HA VAL 11 -20.868 2.874 5.388 59 HB VAL 11 HB VAL 11 -18.624 3.413 5.091 60 HG11 VAL 11 1HG1 VAL 11 -19.790 5.304 6.017 61 HG12 VAL 11 2HG1 VAL 11 -19.486 4.736 7.660 62 HG13 VAL 11 3HG1 VAL 11 -18.145 5.280 6.651 63 HG21 VAL 11 1HG2 VAL 11 -17.168 3.355 7.358 64 HG22 VAL 11 2HG2 VAL 11 -18.265 2.007 7.658 65 HG23 VAL 11 3HG2 VAL 11 -17.252 2.015 6.214 66 H LYS 12 H LYS 12 -19.762 1.249 4.112 67 HA LYS 12 HA LYS 12 -20.030 -1.372 5.294 68 HB2 LYS 12 1HB LYS 12 -19.665 -0.282 2.549 69 HB3 LYS 12 2HB LYS 12 -19.140 -1.935 2.839 70 HG2 LYS 12 1HG LYS 12 -21.285 -2.674 3.299 71 HG3 LYS 12 2HG LYS 12 -21.872 -1.052 3.670 72 HD2 LYS 12 1HD LYS 12 -22.795 -1.389 1.590 73 HD3 LYS 12 2HD LYS 12 -21.279 -0.593 1.159 74 HE2 LYS 12 1HE LYS 12 -21.299 -3.558 1.371 75 HE3 LYS 12 2HE LYS 12 -22.079 -2.822 -0.028 76 HZ1 LYS 12 1HZ LYS 12 -19.378 -1.945 0.713 77 HZ2 LYS 12 2HZ LYS 12 -20.109 -2.001 -0.811 78 HZ3 LYS 12 3HZ LYS 12 -19.561 -3.427 -0.083 79 H GLU 13 H GLU 13 -18.431 -2.806 5.763 80 HA GLU 13 HA GLU 13 -15.756 -1.735 6.020 81 HB2 GLU 13 1HB GLU 13 -16.928 -4.407 6.812 82 HB3 GLU 13 2HB GLU 13 -15.282 -3.898 7.162 83 HG2 GLU 13 1HG GLU 13 -16.061 -2.130 8.574 84 HG3 GLU 13 2HG GLU 13 -17.734 -2.437 8.111 85 H LEU 14 H LEU 14 -14.802 -1.618 4.038 86 HA LEU 14 HA LEU 14 -14.930 -3.809 2.169 87 HB2 LEU 14 1HB LEU 14 -13.086 -1.441 2.025 88 HB3 LEU 14 2HB LEU 14 -13.677 -2.444 0.702 89 HG LEU 14 HG LEU 14 -15.598 -0.806 2.307 90 HD11 LEU 14 1HD1 LEU 14 -13.491 0.197 0.532 91 HD12 LEU 14 2HD1 LEU 14 -14.448 1.037 1.752 92 HD13 LEU 14 3HD1 LEU 14 -15.117 0.760 0.144 93 HD21 LEU 14 1HD2 LEU 14 -15.919 -2.600 0.284 94 HD22 LEU 14 2HD2 LEU 14 -15.850 -1.075 -0.600 95 HD23 LEU 14 3HD2 LEU 14 -17.050 -1.304 0.673 96 H THR 15 H THR 15 -13.095 -4.977 1.385 97 HA THR 15 HA THR 15 -11.101 -5.448 3.486 98 HB THR 15 HB THR 15 -11.882 -7.178 1.131 99 HG1 THR 15 1HG THR 15 -12.950 -8.394 2.649 100 HG21 THR 15 1HG2 THR 15 -10.294 -8.720 1.746 101 HG22 THR 15 2HG2 THR 15 -10.242 -8.160 3.418 102 HG23 THR 15 3HG2 THR 15 -9.448 -7.227 2.151 103 H VAL 16 H VAL 16 -9.598 -3.850 3.060 104 HA VAL 16 HA VAL 16 -8.510 -3.548 0.388 105 HB VAL 16 HB VAL 16 -7.647 -2.227 2.965 106 HG11 VAL 16 1HG1 VAL 16 -5.850 -2.035 1.478 107 HG12 VAL 16 2HG1 VAL 16 -6.910 -1.800 0.086 108 HG13 VAL 16 3HG1 VAL 16 -6.735 -0.522 1.289 109 HG21 VAL 16 1HG2 VAL 16 -8.949 -0.318 2.257 110 HG22 VAL 16 2HG2 VAL 16 -9.426 -1.151 0.777 111 HG23 VAL 16 3HG2 VAL 16 -9.990 -1.739 2.341 112 H SER 17 H SER 17 -6.913 -4.758 -0.363 113 HA SER 17 HA SER 17 -4.854 -5.719 1.496 114 HB2 SER 17 1HB SER 17 -6.646 -7.482 0.855 115 HB3 SER 17 2HB SER 17 -5.856 -7.488 -0.722 116 HG SER 17 HG SER 17 -5.117 -8.761 1.479 117 H ALA 18 H ALA 18 -2.814 -5.548 0.760 118 HA ALA 18 HA ALA 18 -2.391 -4.202 -1.761 119 HB1 ALA 18 1HB ALA 18 -1.182 -3.734 0.453 120 HB2 ALA 18 2HB ALA 18 -0.211 -5.154 0.064 121 HB3 ALA 18 3HB ALA 18 -0.220 -3.768 -1.025 122 H GLY 19 H GLY 19 -1.993 -7.410 -0.443 123 HA2 GLY 19 1HA GLY 19 -2.116 -9.036 -2.453 124 HA3 GLY 19 2HA GLY 19 -0.593 -8.271 -2.882 125 H ASP 20 H ASP 20 1.133 -8.360 -1.193 126 HA ASP 20 HA ASP 20 1.036 -10.211 0.927 127 HB2 ASP 20 1HB ASP 20 0.872 -11.816 -0.979 128 HB3 ASP 20 2HB ASP 20 2.441 -11.248 -1.542 129 H ASN 21 H ASN 21 3.223 -10.657 1.830 130 HA ASN 21 HA ASN 21 4.718 -8.314 2.054 131 HB2 ASN 21 1HB ASN 21 6.260 -9.574 3.374 132 HB3 ASN 21 2HB ASN 21 4.661 -10.245 3.684 133 HD21 ASN 21 1HD2 ASN 21 4.494 -12.360 3.606 134 HD22 ASN 21 2HD2 ASN 21 5.567 -13.437 2.785 135 H LEU 22 H LEU 22 6.371 -7.461 0.945 136 HA LEU 22 HA LEU 22 7.476 -9.040 -1.282 137 HB2 LEU 22 1HB LEU 22 7.392 -6.039 -1.043 138 HB3 LEU 22 2HB LEU 22 7.852 -6.985 -2.457 139 HG LEU 22 HG LEU 22 5.731 -6.255 -3.007 140 HD11 LEU 22 1HD1 LEU 22 5.821 -8.635 -3.319 141 HD12 LEU 22 2HD1 LEU 22 4.207 -8.194 -2.761 142 HD13 LEU 22 3HD1 LEU 22 5.361 -8.915 -1.639 143 HD21 LEU 22 1HD2 LEU 22 5.094 -5.179 -0.983 144 HD22 LEU 22 2HD2 LEU 22 4.992 -6.716 -0.123 145 HD23 LEU 22 3HD2 LEU 22 3.819 -6.330 -1.384 146 H ILE 23 H ILE 23 9.647 -9.255 -1.501 147 HA ILE 23 HA ILE 23 11.352 -7.854 0.450 148 HB ILE 23 HB ILE 23 11.492 -10.755 -0.366 149 HG12 ILE 23 1HG1 ILE 23 11.132 -9.377 2.304 150 HG13 ILE 23 2HG1 ILE 23 9.912 -10.294 1.427 151 HG21 ILE 23 1HG2 ILE 23 13.537 -10.934 0.900 152 HG22 ILE 23 2HG2 ILE 23 13.731 -9.711 -0.354 153 HG23 ILE 23 3HG2 ILE 23 13.466 -9.223 1.319 154 HD11 ILE 23 1HD1 ILE 23 10.755 -11.645 3.199 155 HD12 ILE 23 2HD1 ILE 23 11.348 -12.307 1.675 156 HD13 ILE 23 3HD1 ILE 23 12.421 -11.353 2.700 157 H ILE 24 H ILE 24 12.792 -6.615 -0.536 158 HA ILE 24 HA ILE 24 13.708 -7.381 -3.229 159 HB ILE 24 HB ILE 24 14.452 -4.843 -3.176 160 HG12 ILE 24 1HG1 ILE 24 12.049 -4.876 -1.337 161 HG13 ILE 24 2HG1 ILE 24 13.697 -4.511 -0.838 162 HG21 ILE 24 1HG2 ILE 24 12.972 -5.799 -4.827 163 HG22 ILE 24 2HG2 ILE 24 11.635 -5.789 -3.679 164 HG23 ILE 24 3HG2 ILE 24 12.309 -4.267 -4.259 165 HD11 ILE 24 1HD1 ILE 24 11.837 -2.896 -2.526 166 HD12 ILE 24 2HD1 ILE 24 12.734 -2.425 -1.082 167 HD13 ILE 24 3HD1 ILE 24 13.581 -2.650 -2.612 168 H THR 25 H THR 25 15.934 -6.809 -3.780 169 HA THR 25 HA THR 25 17.738 -6.672 -1.464 170 HB THR 25 HB THR 25 18.080 -8.579 -3.787 171 HG1 THR 25 1HG THR 25 17.929 -10.100 -1.895 172 HG21 THR 25 1HG2 THR 25 20.118 -9.223 -2.892 173 HG22 THR 25 2HG2 THR 25 19.736 -8.581 -1.295 174 HG23 THR 25 3HG2 THR 25 20.135 -7.482 -2.615 175 H LEU 26 H LEU 26 19.417 -5.316 -1.709 176 HA LEU 26 HA LEU 26 19.523 -3.419 -3.710 177 HB2 LEU 26 1HB LEU 26 21.560 -4.434 -1.767 178 HB3 LEU 26 2HB LEU 26 21.996 -3.211 -2.958 179 HG LEU 26 HG LEU 26 19.844 -2.924 -0.861 180 HD11 LEU 26 1HD1 LEU 26 22.654 -2.676 -0.658 181 HD12 LEU 26 2HD1 LEU 26 21.427 -2.269 0.541 182 HD13 LEU 26 3HD1 LEU 26 21.970 -1.051 -0.613 183 HD21 LEU 26 1HD2 LEU 26 19.308 -1.643 -2.830 184 HD22 LEU 26 2HD2 LEU 26 20.944 -0.989 -2.896 185 HD23 LEU 26 3HD2 LEU 26 19.872 -0.552 -1.565 186 HA PRO 27 HA PRO 27 21.409 -2.128 -4.518 187 HB2 PRO 27 1HB PRO 27 21.332 -1.156 -7.052 188 HB3 PRO 27 2HB PRO 27 22.825 -1.694 -6.275 189 HG2 PRO 27 1HG PRO 27 21.072 -3.147 -8.218 190 HG3 PRO 27 2HG PRO 27 22.842 -3.048 -8.165 191 HD2 PRO 27 1HD PRO 27 21.474 -5.193 -7.238 192 HD3 PRO 27 2HD PRO 27 23.008 -4.657 -6.523 193 H ASP 28 H ASP 28 19.175 -4.019 -6.326 194 HA ASP 28 HA ASP 28 17.231 -2.181 -7.048 195 HB2 ASP 28 1HB ASP 28 16.549 -4.896 -5.935 196 HB3 ASP 28 2HB ASP 28 15.727 -3.996 -7.207 197 H ASN 29 H ASN 29 16.616 -0.593 -5.698 198 HA ASN 29 HA ASN 29 15.589 -1.384 -3.051 199 HB2 ASN 29 1HB ASN 29 16.095 1.091 -2.475 200 HB3 ASN 29 2HB ASN 29 17.438 -0.046 -2.543 201 HD21 ASN 29 1HD2 ASN 29 15.609 1.779 -4.977 202 HD22 ASN 29 2HD2 ASN 29 16.992 2.501 -5.720 203 H GLU 30 H GLU 30 14.343 -1.017 -5.816 204 HA GLU 30 HA GLU 30 12.308 0.973 -5.057 205 HB2 GLU 30 1HB GLU 30 12.730 -0.065 -7.849 206 HB3 GLU 30 2HB GLU 30 11.895 1.396 -7.340 207 HG2 GLU 30 1HG GLU 30 14.033 2.363 -6.637 208 HG3 GLU 30 2HG GLU 30 14.860 0.906 -7.185 209 H VAL 31 H VAL 31 10.135 0.449 -5.204 210 HA VAL 31 HA VAL 31 9.354 -2.212 -6.071 211 HB VAL 31 HB VAL 31 9.807 -2.843 -3.869 212 HG11 VAL 31 1HG1 VAL 31 10.339 -0.839 -2.787 213 HG12 VAL 31 2HG1 VAL 31 8.750 -0.140 -3.104 214 HG13 VAL 31 3HG1 VAL 31 8.925 -1.436 -1.920 215 HG21 VAL 31 1HG2 VAL 31 7.474 -3.340 -4.668 216 HG22 VAL 31 2HG2 VAL 31 7.692 -3.369 -2.918 217 HG23 VAL 31 3HG2 VAL 31 6.928 -1.978 -3.688 218 H GLU 32 H GLU 32 7.283 -2.299 -6.792 219 HA GLU 32 HA GLU 32 5.691 0.165 -6.519 220 HB2 GLU 32 1HB GLU 32 6.301 -0.121 -8.806 221 HB3 GLU 32 2HB GLU 32 5.880 -1.827 -8.775 222 HG2 GLU 32 1HG GLU 32 3.590 -1.387 -8.782 223 HG3 GLU 32 2HG GLU 32 3.820 0.293 -8.299 224 H LEU 33 H LEU 33 4.322 -0.235 -4.871 225 HA LEU 33 HA LEU 33 3.047 -2.821 -4.584 226 HB2 LEU 33 1HB LEU 33 2.433 -0.347 -2.997 227 HB3 LEU 33 2HB LEU 33 2.206 -2.031 -2.530 228 HG LEU 33 HG LEU 33 4.975 -1.046 -3.027 229 HD11 LEU 33 1HD1 LEU 33 3.861 0.666 -1.606 230 HD12 LEU 33 2HD1 LEU 33 5.184 -0.182 -0.805 231 HD13 LEU 33 3HD1 LEU 33 3.513 -0.602 -0.430 232 HD21 LEU 33 1HD2 LEU 33 4.806 -3.354 -2.582 233 HD22 LEU 33 2HD2 LEU 33 3.661 -3.098 -1.265 234 HD23 LEU 33 3HD2 LEU 33 5.348 -2.619 -1.074 235 H LYS 34 H LYS 34 0.750 -3.107 -4.512 236 HA LYS 34 HA LYS 34 -0.817 -1.046 -5.896 237 HB2 LYS 34 1HB LYS 34 -0.040 -2.801 -7.514 238 HB3 LYS 34 2HB LYS 34 -0.949 -3.985 -6.584 239 HG2 LYS 34 1HG LYS 34 -3.017 -2.791 -7.063 240 HG3 LYS 34 2HG LYS 34 -2.113 -1.580 -7.974 241 HD2 LYS 34 1HD LYS 34 -1.415 -3.264 -9.575 242 HD3 LYS 34 2HD LYS 34 -2.223 -4.522 -8.637 243 HE2 LYS 34 1HE LYS 34 -3.737 -4.046 -10.343 244 HE3 LYS 34 2HE LYS 34 -4.350 -3.122 -8.972 245 HZ1 LYS 34 1HZ LYS 34 -3.887 -2.117 -11.428 246 HZ2 LYS 34 2HZ LYS 34 -2.471 -1.680 -10.613 247 HZ3 LYS 34 3HZ LYS 34 -3.976 -1.197 -10.012 248 H ALA 35 H ALA 35 -2.767 -0.697 -5.023 249 HA ALA 35 HA ALA 35 -3.558 -2.316 -2.739 250 HB1 ALA 35 1HB ALA 35 -4.680 0.266 -3.820 251 HB2 ALA 35 2HB ALA 35 -5.220 -0.539 -2.345 252 HB3 ALA 35 3HB ALA 35 -3.574 0.085 -2.457 253 H PHE 36 H PHE 36 -5.467 -3.445 -2.562 254 HA PHE 36 HA PHE 36 -7.137 -3.635 -4.975 255 HB2 PHE 36 1HB PHE 36 -5.900 -5.875 -3.391 256 HB3 PHE 36 2HB PHE 36 -7.352 -6.129 -4.354 257 HD1 PHE 36 1HD PHE 36 -7.233 -5.518 -6.838 258 HD2 PHE 36 2HD PHE 36 -3.802 -6.010 -4.368 259 HE1 PHE 36 1HE PHE 36 -5.846 -5.863 -8.840 260 HE2 PHE 36 2HE PHE 36 -2.409 -6.355 -6.366 261 HZ PHE 36 HZ PHE 36 -3.430 -6.281 -8.606 262 H VAL 37 H VAL 37 -9.162 -3.126 -4.509 263 HA VAL 37 HA VAL 37 -10.114 -3.438 -1.750 264 HB VAL 37 HB VAL 37 -11.351 -1.841 -3.996 265 HG11 VAL 37 1HG1 VAL 37 -12.790 -2.718 -2.053 266 HG12 VAL 37 2HG1 VAL 37 -11.920 -1.540 -1.068 267 HG13 VAL 37 3HG1 VAL 37 -12.877 -1.002 -2.449 268 HG21 VAL 37 1HG2 VAL 37 -9.657 -0.427 -3.628 269 HG22 VAL 37 2HG2 VAL 37 -10.475 -0.053 -2.111 270 HG23 VAL 37 3HG2 VAL 37 -9.177 -1.245 -2.141 271 H ALA 38 H ALA 38 -11.630 -4.884 -1.239 272 HA ALA 38 HA ALA 38 -13.136 -6.158 -3.430 273 HB1 ALA 38 1HB ALA 38 -11.336 -7.595 -2.424 274 HB2 ALA 38 2HB ALA 38 -12.255 -7.565 -0.919 275 HB3 ALA 38 3HB ALA 38 -12.962 -8.276 -2.370 276 HA PRO 39 HA PRO 39 -14.861 -6.951 -4.036 277 HB2 PRO 39 1HB PRO 39 -17.040 -5.671 -5.029 278 HB3 PRO 39 2HB PRO 39 -17.150 -7.155 -4.075 279 HG2 PRO 39 1HG PRO 39 -17.548 -4.316 -3.214 280 HG3 PRO 39 2HG PRO 39 -18.501 -5.754 -2.803 281 HD2 PRO 39 1HD PRO 39 -16.658 -4.697 -1.123 282 HD3 PRO 39 2HD PRO 39 -17.005 -6.437 -1.188 283 H ALA 40 H ALA 40 -14.429 -6.033 -6.114 284 HA ALA 40 HA ALA 40 -12.937 -3.605 -5.994 285 HB1 ALA 40 1HB ALA 40 -11.952 -4.895 -7.555 286 HB2 ALA 40 2HB ALA 40 -13.458 -5.701 -7.995 287 HB3 ALA 40 3HB ALA 40 -13.093 -4.101 -8.640 288 HA PRO 41 HA PRO 41 -16.072 -0.678 -6.989 289 HB2 PRO 41 1HB PRO 41 -14.515 1.278 -8.048 290 HB3 PRO 41 2HB PRO 41 -14.573 0.929 -6.316 291 HG2 PRO 41 1HG PRO 41 -12.549 0.080 -8.352 292 HG3 PRO 41 2HG PRO 41 -12.294 0.680 -6.703 293 HD2 PRO 41 1HD PRO 41 -12.191 -1.952 -7.327 294 HD3 PRO 41 2HD PRO 41 -12.760 -1.366 -5.751 295 HA PRO 42 HA PRO 42 -17.200 -1.003 -11.226 296 HB2 PRO 42 1HB PRO 42 -18.385 1.395 -11.690 297 HB3 PRO 42 2HB PRO 42 -19.126 0.133 -10.699 298 HG2 PRO 42 1HG PRO 42 -17.610 2.569 -9.843 299 HG3 PRO 42 2HG PRO 42 -19.104 1.888 -9.173 300 HD2 PRO 42 1HD PRO 42 -16.682 1.502 -8.024 301 HD3 PRO 42 2HD PRO 42 -17.976 0.288 -7.955 302 H VAL 43 H VAL 43 -17.257 0.544 -13.316 303 HA VAL 43 HA VAL 43 -14.488 1.144 -13.847 304 HB VAL 43 HB VAL 43 -15.774 0.025 -15.568 305 HG11 VAL 43 1HG1 VAL 43 -17.418 2.120 -16.556 306 HG12 VAL 43 2HG1 VAL 43 -17.900 0.532 -15.954 307 HG13 VAL 43 3HG1 VAL 43 -17.779 1.898 -14.844 308 HG21 VAL 43 1HG2 VAL 43 -15.388 2.756 -16.706 309 HG22 VAL 43 2HG2 VAL 43 -13.999 1.890 -16.048 310 HG23 VAL 43 3HG2 VAL 43 -14.932 1.186 -17.368 311 H GLU 44 H GLU 44 -17.075 2.879 -12.617 312 HA GLU 44 HA GLU 44 -16.026 5.437 -13.618 313 HB2 GLU 44 1HB GLU 44 -18.707 4.588 -12.578 314 HB3 GLU 44 2HB GLU 44 -18.233 6.279 -12.502 315 HG2 GLU 44 1HG GLU 44 -18.163 6.495 -14.814 316 HG3 GLU 44 2HG GLU 44 -18.062 4.753 -15.068 317 H THR 45 H THR 45 -17.632 4.376 -10.617 318 HA THR 45 HA THR 45 -16.412 6.299 -8.983 319 HB THR 45 HB THR 45 -17.485 3.603 -8.130 320 HG1 THR 45 1HG THR 45 -19.370 4.427 -8.590 321 HG21 THR 45 1HG2 THR 45 -16.556 6.013 -6.680 322 HG22 THR 45 2HG2 THR 45 -16.538 4.318 -6.191 323 HG23 THR 45 3HG2 THR 45 -18.032 5.250 -6.088 324 H THR 46 H THR 46 -14.430 6.452 -8.173 325 HA THR 46 HA THR 46 -12.775 4.015 -8.034 326 HB THR 46 HB THR 46 -10.795 5.510 -8.438 327 HG1 THR 46 1HG THR 46 -11.151 7.584 -8.565 328 HG21 THR 46 1HG2 THR 46 -12.870 4.798 -10.415 329 HG22 THR 46 2HG2 THR 46 -11.159 4.373 -10.363 330 HG23 THR 46 3HG2 THR 46 -11.657 5.958 -10.955 331 H TYR 47 H TYR 47 -12.331 3.505 -6.001 332 HA TYR 47 HA TYR 47 -12.804 5.144 -3.787 333 HB2 TYR 47 1HB TYR 47 -11.032 2.708 -4.051 334 HB3 TYR 47 2HB TYR 47 -11.477 3.449 -2.518 335 HD1 TYR 47 2HD TYR 47 -14.246 3.959 -2.600 336 HD2 TYR 47 1HD TYR 47 -12.143 0.723 -4.390 337 HE1 TYR 47 2HE TYR 47 -16.295 2.600 -2.536 338 HE2 TYR 47 1HE TYR 47 -14.186 -0.645 -4.331 339 HH TYR 47 HH TYR 47 -17.263 0.678 -3.631 340 H ASN 48 H ASN 48 -10.936 5.467 -2.090 341 HA ASN 48 HA ASN 48 -8.796 6.941 -3.476 342 HB2 ASN 48 1HB ASN 48 -10.176 7.448 -0.840 343 HB3 ASN 48 2HB ASN 48 -8.671 8.245 -1.289 344 HD21 ASN 48 1HD2 ASN 48 -8.833 9.094 -3.687 345 HD22 ASN 48 2HD2 ASN 48 -10.229 10.066 -3.990 346 H TYR 49 H TYR 49 -6.758 6.319 -3.174 347 HA TYR 49 HA TYR 49 -6.219 4.320 -1.087 348 HB2 TYR 49 1HB TYR 49 -4.539 4.941 -3.521 349 HB3 TYR 49 2HB TYR 49 -4.366 3.570 -2.431 350 HD1 TYR 49 2HD TYR 49 -6.325 5.000 -5.178 351 HD2 TYR 49 1HD TYR 49 -5.860 1.667 -2.575 352 HE1 TYR 49 2HE TYR 49 -7.816 3.676 -6.617 353 HE2 TYR 49 1HE TYR 49 -7.349 0.333 -4.007 354 HH TYR 49 HH TYR 49 -9.420 1.374 -5.982 355 H GLU 50 H GLU 50 -5.409 5.209 0.695 356 HA GLU 50 HA GLU 50 -3.398 7.344 0.402 357 HB2 GLU 50 1HB GLU 50 -5.315 8.245 1.511 358 HB3 GLU 50 2HB GLU 50 -5.423 6.857 2.584 359 HG2 GLU 50 1HG GLU 50 -3.040 7.617 3.331 360 HG3 GLU 50 2HG GLU 50 -3.545 9.165 2.656 361 H TRP 51 H TRP 51 -1.465 6.387 0.563 362 HA TRP 51 HA TRP 51 -1.057 4.175 2.403 363 HB2 TRP 51 1HB TRP 51 0.836 5.514 0.459 364 HB3 TRP 51 2HB TRP 51 1.212 4.082 1.414 365 HD1 TRP 51 HD TRP 51 -1.189 5.193 -1.407 366 HE1 TRP 51 1HE TRP 51 -1.787 3.118 -2.808 367 HE3 TRP 51 3HE TRP 51 1.178 1.621 1.381 368 HZ2 TRP 51 2HZ TRP 51 -1.318 0.335 -2.740 369 HZ3 TRP 51 3HZ TRP 51 1.055 -0.723 0.645 370 HH2 TRP 51 HH TRP 51 -0.169 -1.351 -1.373 371 H ASN 52 H ASN 52 0.669 4.170 3.970 372 HA ASN 52 HA ASN 52 1.950 6.609 4.739 373 HB2 ASN 52 1HB ASN 52 -0.478 5.659 6.217 374 HB3 ASN 52 2HB ASN 52 0.825 6.445 7.104 375 HD21 ASN 52 1HD2 ASN 52 -1.884 6.867 5.111 376 HD22 ASN 52 2HD2 ASN 52 -1.779 8.582 4.925 377 H LEU 53 H LEU 53 3.588 6.290 6.251 378 HA LEU 53 HA LEU 53 4.270 3.483 6.703 379 HB2 LEU 53 1HB LEU 53 5.859 5.146 5.634 380 HB3 LEU 53 2HB LEU 53 6.003 5.884 7.228 381 HG LEU 53 HG LEU 53 7.083 3.975 8.117 382 HD11 LEU 53 1HD1 LEU 53 6.139 2.042 7.434 383 HD12 LEU 53 2HD1 LEU 53 7.471 2.059 6.279 384 HD13 LEU 53 3HD1 LEU 53 5.874 2.622 5.790 385 HD21 LEU 53 1HD2 LEU 53 8.367 5.493 6.522 386 HD22 LEU 53 2HD2 LEU 53 8.234 4.182 5.350 387 HD23 LEU 53 3HD2 LEU 53 9.075 3.917 6.879 388 H ILE 54 H ILE 54 3.783 2.596 8.589 389 HA ILE 54 HA ILE 54 3.581 4.327 10.960 390 HB ILE 54 HB ILE 54 2.213 2.541 11.963 391 HG12 ILE 54 1HG1 ILE 54 3.332 0.790 10.360 392 HG13 ILE 54 2HG1 ILE 54 1.673 0.557 10.898 393 HG21 ILE 54 1HG2 ILE 54 0.361 2.708 10.029 394 HG22 ILE 54 2HG2 ILE 54 0.753 4.041 11.114 395 HG23 ILE 54 3HG2 ILE 54 1.460 3.982 9.500 396 HD11 ILE 54 1HD1 ILE 54 2.544 0.482 8.310 397 HD12 ILE 54 2HD1 ILE 54 0.873 0.709 8.828 398 HD13 ILE 54 3HD1 ILE 54 1.876 2.108 8.445 399 H SER 55 H SER 55 5.117 1.493 9.629 400 HA SER 55 HA SER 55 6.773 1.314 12.058 401 HB2 SER 55 1HB SER 55 5.468 -0.870 10.471 402 HB3 SER 55 2HB SER 55 6.991 -1.190 11.301 403 HG SER 55 HG SER 55 5.856 -1.403 13.042 404 H HIS 56 H HIS 56 8.787 1.889 11.623 405 HA HIS 56 HA HIS 56 10.314 0.719 9.547 406 HB2 HIS 56 1HB HIS 56 10.670 2.557 8.080 407 HB3 HIS 56 2HB HIS 56 8.925 2.412 8.268 408 HD1 HIS 56 1HD HIS 56 11.584 4.832 8.404 409 HD2 HIS 56 2HD HIS 56 7.905 4.358 10.275 410 HE1 HIS 56 1HE HIS 56 10.998 7.100 9.320 411 HE2 HIS 56 2HE HIS 56 8.809 6.769 10.521 412 HA PRO 57 HA PRO 57 13.547 1.947 12.251 413 HB2 PRO 57 1HB PRO 57 15.656 1.978 10.542 414 HB3 PRO 57 2HB PRO 57 14.894 0.484 11.099 415 HG2 PRO 57 1HG PRO 57 14.513 1.957 8.522 416 HG3 PRO 57 2HG PRO 57 14.681 0.214 8.800 417 HD2 PRO 57 1HD PRO 57 12.281 1.399 8.392 418 HD3 PRO 57 2HD PRO 57 12.478 -0.025 9.433 419 H THR 58 H THR 58 14.646 3.742 12.954 420 HA THR 58 HA THR 58 13.905 6.255 11.887 421 HB THR 58 HB THR 58 14.544 5.705 14.310 422 HG1 THR 58 1HG THR 58 15.227 7.989 12.830 423 HG21 THR 58 1HG2 THR 58 16.650 5.172 14.807 424 HG22 THR 58 2HG2 THR 58 17.244 6.635 14.020 425 HG23 THR 58 3HG2 THR 58 17.017 5.159 13.083 426 H ASP 59 H ASP 59 16.539 4.125 11.256 427 HA ASP 59 HA ASP 59 18.427 5.998 10.301 428 HB2 ASP 59 1HB ASP 59 18.025 3.050 9.969 429 HB3 ASP 59 2HB ASP 59 19.202 3.878 8.954 430 H TYR 60 H TYR 60 15.551 4.668 8.939 431 HA TYR 60 HA TYR 60 16.059 4.883 6.211 432 HB2 TYR 60 1HB TYR 60 14.050 3.808 7.076 433 HB3 TYR 60 2HB TYR 60 13.468 5.346 7.704 434 HD1 TYR 60 1HD TYR 60 15.059 4.793 4.403 435 HD2 TYR 60 2HD TYR 60 11.442 5.553 6.511 436 HE1 TYR 60 1HE TYR 60 13.914 5.226 2.270 437 HE2 TYR 60 2HE TYR 60 10.286 5.986 4.384 438 HH TYR 60 HH TYR 60 10.633 6.449 2.162 439 H GLN 61 H GLN 61 16.286 6.537 4.843 440 HA GLN 61 HA GLN 61 15.927 9.250 5.903 441 HB2 GLN 61 1HB GLN 61 17.631 8.124 3.692 442 HB3 GLN 61 2HB GLN 61 17.324 9.850 3.830 443 HG2 GLN 61 1HG GLN 61 18.871 8.055 5.642 444 HG3 GLN 61 2HG GLN 61 19.340 9.593 4.919 445 HE21 GLN 61 1HE2 GLN 61 18.759 8.244 7.752 446 HE22 GLN 61 2HE2 GLN 61 18.087 9.573 8.626 447 H GLY 62 H GLY 62 15.413 7.397 2.899 448 HA2 GLY 62 1HA GLY 62 14.073 9.162 1.344 449 HA3 GLY 62 2HA GLY 62 13.626 7.465 1.434 450 H GLU 63 H GLU 63 11.843 9.632 0.934 451 HA GLU 63 HA GLU 63 10.085 9.335 3.271 452 HB2 GLU 63 1HB GLU 63 9.298 11.636 2.979 453 HB3 GLU 63 2HB GLU 63 11.022 11.591 3.321 454 HG2 GLU 63 1HG GLU 63 11.512 11.925 0.961 455 HG3 GLU 63 2HG GLU 63 9.788 11.939 0.598 456 H ILE 64 H ILE 64 8.077 8.679 2.810 457 HA ILE 64 HA ILE 64 7.387 8.217 0.026 458 HB ILE 64 HB ILE 64 5.617 7.519 2.345 459 HG12 ILE 64 1HG1 ILE 64 7.930 5.842 1.354 460 HG13 ILE 64 2HG1 ILE 64 7.949 6.769 2.850 461 HG21 ILE 64 1HG2 ILE 64 6.112 6.313 -0.372 462 HG22 ILE 64 2HG2 ILE 64 5.067 5.602 0.857 463 HG23 ILE 64 3HG2 ILE 64 4.672 7.176 0.168 464 HD11 ILE 64 1HD1 ILE 64 6.417 4.305 2.171 465 HD12 ILE 64 2HD1 ILE 64 7.412 4.660 3.583 466 HD13 ILE 64 3HD1 ILE 64 5.821 5.402 3.416 467 H LYS 65 H LYS 65 5.276 8.776 -0.826 468 HA LYS 65 HA LYS 65 4.343 11.362 0.219 469 HB2 LYS 65 1HB LYS 65 4.286 10.160 -2.545 470 HB3 LYS 65 2HB LYS 65 3.336 11.577 -2.119 471 HG2 LYS 65 1HG LYS 65 5.689 12.443 -1.269 472 HG3 LYS 65 2HG LYS 65 6.264 11.288 -2.474 473 HD2 LYS 65 1HD LYS 65 4.109 13.233 -3.188 474 HD3 LYS 65 2HD LYS 65 5.792 13.763 -3.155 475 HE2 LYS 65 1HE LYS 65 6.133 11.566 -4.586 476 HE3 LYS 65 2HE LYS 65 4.433 11.836 -4.969 477 HZ1 LYS 65 1HZ LYS 65 5.058 14.121 -5.644 478 HZ2 LYS 65 2HZ LYS 65 5.760 12.919 -6.605 479 HZ3 LYS 65 3HZ LYS 65 6.686 13.712 -5.431 480 H GLN 66 H GLN 66 3.537 8.529 0.983 481 HA GLN 66 HA GLN 66 1.646 7.437 1.615 482 HB2 GLN 66 1HB GLN 66 0.518 10.204 1.209 483 HB3 GLN 66 2HB GLN 66 -0.442 8.866 1.826 484 HG2 GLN 66 1HG GLN 66 0.208 9.806 3.785 485 HG3 GLN 66 2HG GLN 66 1.542 8.678 3.544 486 HE21 GLN 66 1HE2 GLN 66 0.601 11.991 2.687 487 HE22 GLN 66 2HE2 GLN 66 2.165 12.681 2.934 488 H GLY 67 H GLY 67 2.433 7.648 -1.260 489 HA2 GLY 67 1HA GLY 67 1.523 7.315 -3.379 490 HA3 GLY 67 2HA GLY 67 0.766 5.986 -2.513 491 H HIS 68 H HIS 68 0.326 9.171 -3.847 492 HA HIS 68 HA HIS 68 -2.365 9.504 -2.937 493 HB2 HIS 68 1HB HIS 68 -0.560 10.931 -4.840 494 HB3 HIS 68 2HB HIS 68 -2.292 11.233 -4.944 495 HD1 HIS 68 1HD HIS 68 0.410 11.265 -2.262 496 HD2 HIS 68 2HD HIS 68 -3.120 13.200 -3.287 497 HE1 HIS 68 1HE HIS 68 0.132 13.099 -0.564 498 HE2 HIS 68 2HE HIS 68 -2.055 14.202 -1.154 499 H LYS 69 H LYS 69 -1.180 7.264 -4.921 500 HA LYS 69 HA LYS 69 -3.607 7.218 -6.591 501 HB2 LYS 69 1HB LYS 69 -0.773 6.496 -7.315 502 HB3 LYS 69 2HB LYS 69 -2.148 5.912 -8.242 503 HG2 LYS 69 1HG LYS 69 -1.872 8.834 -7.722 504 HG3 LYS 69 2HG LYS 69 -0.882 8.070 -8.968 505 HD2 LYS 69 1HD LYS 69 -2.964 7.164 -9.983 506 HD3 LYS 69 2HD LYS 69 -3.894 8.083 -8.798 507 HE2 LYS 69 1HE LYS 69 -2.843 10.157 -9.647 508 HE3 LYS 69 2HE LYS 69 -2.023 9.203 -10.882 509 HZ1 LYS 69 1HZ LYS 69 -4.218 8.515 -11.702 510 HZ2 LYS 69 2HZ LYS 69 -3.995 10.189 -11.796 511 HZ3 LYS 69 3HZ LYS 69 -4.957 9.532 -10.570 512 H GLN 70 H GLN 70 -3.615 4.791 -7.625 513 HA GLN 70 HA GLN 70 -4.269 3.117 -5.419 514 HB2 GLN 70 1HB GLN 70 -5.514 2.982 -7.505 515 HB3 GLN 70 2HB GLN 70 -4.061 2.499 -8.370 516 HG2 GLN 70 1HG GLN 70 -4.014 0.512 -6.731 517 HG3 GLN 70 2HG GLN 70 -5.697 0.936 -6.417 518 HE21 GLN 70 1HE2 GLN 70 -5.604 -1.423 -7.308 519 HE22 GLN 70 2HE2 GLN 70 -5.926 -1.565 -8.999 520 H THR 71 H THR 71 -1.434 3.583 -7.327 521 HA THR 71 HA THR 71 -0.184 1.250 -6.026 522 HB THR 71 HB THR 71 1.503 1.533 -8.020 523 HG1 THR 71 1HG THR 71 -0.885 2.745 -8.989 524 HG21 THR 71 1HG2 THR 71 -0.561 0.250 -9.368 525 HG22 THR 71 2HG2 THR 71 -0.938 0.010 -7.662 526 HG23 THR 71 3HG2 THR 71 0.624 -0.502 -8.301 527 H LEU 72 H LEU 72 1.697 1.551 -4.941 528 HA LEU 72 HA LEU 72 2.737 4.305 -4.839 529 HB2 LEU 72 1HB LEU 72 1.786 3.677 -2.735 530 HB3 LEU 72 2HB LEU 72 2.664 2.149 -2.737 531 HG LEU 72 HG LEU 72 4.770 3.355 -2.438 532 HD11 LEU 72 1HD1 LEU 72 3.109 5.852 -2.167 533 HD12 LEU 72 2HD1 LEU 72 4.018 5.427 -3.617 534 HD13 LEU 72 3HD1 LEU 72 4.866 5.711 -2.097 535 HD21 LEU 72 1HD2 LEU 72 3.077 4.537 -0.320 536 HD22 LEU 72 2HD2 LEU 72 4.526 3.538 -0.193 537 HD23 LEU 72 3HD2 LEU 72 2.967 2.791 -0.545 538 H ASN 73 H ASN 73 4.785 4.650 -5.418 539 HA ASN 73 HA ASN 73 6.542 2.307 -5.747 540 HB2 ASN 73 1HB ASN 73 7.049 4.809 -7.288 541 HB3 ASN 73 2HB ASN 73 7.346 3.132 -7.739 542 HD21 ASN 73 1HD2 ASN 73 5.105 1.862 -7.689 543 HD22 ASN 73 2HD2 ASN 73 3.883 2.602 -8.662 544 H LEU 74 H LEU 74 8.257 2.263 -4.464 545 HA LEU 74 HA LEU 74 9.141 4.769 -3.207 546 HB2 LEU 74 1HB LEU 74 9.119 1.921 -2.355 547 HB3 LEU 74 2HB LEU 74 10.403 2.961 -1.743 548 HG LEU 74 HG LEU 74 8.350 4.507 -1.103 549 HD11 LEU 74 1HD1 LEU 74 7.032 2.254 -2.085 550 HD12 LEU 74 2HD1 LEU 74 6.333 3.586 -1.166 551 HD13 LEU 74 3HD1 LEU 74 6.902 2.142 -0.329 552 HD21 LEU 74 1HD2 LEU 74 9.736 2.299 0.270 553 HD22 LEU 74 2HD2 LEU 74 8.253 2.872 1.035 554 HD23 LEU 74 3HD2 LEU 74 9.575 3.997 0.719 555 H SER 75 H SER 75 11.456 5.049 -2.849 556 HA SER 75 HA SER 75 13.230 3.528 -4.587 557 HB2 SER 75 1HB SER 75 14.061 5.451 -5.780 558 HB3 SER 75 2HB SER 75 12.307 5.413 -5.966 559 HG SER 75 HG SER 75 12.125 7.172 -4.779 560 H GLN 76 H GLN 76 15.545 4.537 -4.379 561 HA GLN 76 HA GLN 76 17.317 4.599 -2.922 562 HB2 GLN 76 1HB GLN 76 15.642 6.935 -1.993 563 HB3 GLN 76 2HB GLN 76 17.315 6.673 -1.520 564 HG2 GLN 76 1HG GLN 76 17.898 6.715 -3.964 565 HG3 GLN 76 2HG GLN 76 16.248 7.255 -4.266 566 HE21 GLN 76 1HE2 GLN 76 15.569 9.247 -3.227 567 HE22 GLN 76 2HE2 GLN 76 16.734 10.492 -2.949 568 H LEU 77 H LEU 77 15.176 2.833 -2.083 569 HA LEU 77 HA LEU 77 14.750 3.134 0.723 570 HB2 LEU 77 1HB LEU 77 14.352 0.871 -1.209 571 HB3 LEU 77 2HB LEU 77 14.056 0.682 0.518 572 HG LEU 77 HG LEU 77 12.665 2.757 -1.164 573 HD11 LEU 77 1HD1 LEU 77 10.722 1.128 -1.013 574 HD12 LEU 77 2HD1 LEU 77 11.922 -0.100 -0.610 575 HD13 LEU 77 3HD1 LEU 77 12.003 0.735 -2.161 576 HD21 LEU 77 1HD2 LEU 77 11.514 3.292 0.687 577 HD22 LEU 77 2HD2 LEU 77 12.871 2.551 1.536 578 HD23 LEU 77 3HD2 LEU 77 11.406 1.617 1.228 579 H SER 78 H SER 78 15.981 2.513 2.382 580 HA SER 78 HA SER 78 18.503 1.154 1.787 581 HB2 SER 78 1HB SER 78 17.626 2.548 4.328 582 HB3 SER 78 2HB SER 78 19.246 1.948 3.974 583 HG SER 78 HG SER 78 19.618 3.672 2.830 584 H VAL 79 H VAL 79 19.304 -0.368 3.532 585 HA VAL 79 HA VAL 79 17.606 -2.584 3.710 586 HB VAL 79 HB VAL 79 20.124 -1.895 5.216 587 HG11 VAL 79 1HG1 VAL 79 19.591 -3.469 6.700 588 HG12 VAL 79 2HG1 VAL 79 18.186 -3.981 5.763 589 HG13 VAL 79 3HG1 VAL 79 19.781 -4.637 5.393 590 HG21 VAL 79 1HG2 VAL 79 19.765 -2.637 2.619 591 HG22 VAL 79 2HG2 VAL 79 21.239 -2.907 3.550 592 HG23 VAL 79 3HG2 VAL 79 20.042 -4.194 3.400 593 H GLY 80 H GLY 80 16.002 -3.088 5.052 594 HA2 GLY 80 1HA GLY 80 15.805 -2.932 7.732 595 HA3 GLY 80 2HA GLY 80 15.367 -1.302 7.244 596 H LEU 81 H LEU 81 13.481 -2.519 8.588 597 HA LEU 81 HA LEU 81 11.673 -3.839 6.703 598 HB2 LEU 81 1HB LEU 81 11.914 -4.969 8.794 599 HB3 LEU 81 2HB LEU 81 11.594 -3.486 9.691 600 HG LEU 81 HG LEU 81 9.263 -3.557 8.661 601 HD11 LEU 81 1HD1 LEU 81 10.274 -5.524 7.105 602 HD12 LEU 81 2HD1 LEU 81 8.558 -5.310 7.446 603 HD13 LEU 81 3HD1 LEU 81 9.503 -6.472 8.377 604 HD21 LEU 81 1HD2 LEU 81 9.135 -5.894 10.270 605 HD22 LEU 81 2HD2 LEU 81 8.748 -4.230 10.709 606 HD23 LEU 81 3HD2 LEU 81 10.389 -4.841 10.925 607 H TYR 82 H TYR 82 9.860 -2.913 5.938 608 HA TYR 82 HA TYR 82 9.027 -0.332 7.074 609 HB2 TYR 82 1HB TYR 82 9.152 -0.936 4.114 610 HB3 TYR 82 2HB TYR 82 8.696 0.591 4.862 611 HD1 TYR 82 2HD TYR 82 10.449 1.894 6.124 612 HD2 TYR 82 1HD TYR 82 11.412 -1.446 3.669 613 HE1 TYR 82 2HE TYR 82 12.791 2.639 6.039 614 HE2 TYR 82 1HE TYR 82 13.757 -0.710 3.578 615 HH TYR 82 HH TYR 82 15.306 0.660 4.810 616 H VAL 83 H VAL 83 6.839 0.086 7.066 617 HA VAL 83 HA VAL 83 5.080 -2.004 5.977 618 HB VAL 83 HB VAL 83 4.622 -0.711 8.662 619 HG11 VAL 83 1HG1 VAL 83 2.705 -1.672 7.270 620 HG12 VAL 83 2HG1 VAL 83 3.419 -3.250 7.606 621 HG13 VAL 83 3HG1 VAL 83 2.862 -2.232 8.934 622 HG21 VAL 83 1HG2 VAL 83 5.336 -2.843 9.656 623 HG22 VAL 83 2HG2 VAL 83 5.818 -3.415 8.059 624 HG23 VAL 83 3HG2 VAL 83 6.650 -2.044 8.792 625 H PHE 84 H PHE 84 3.888 -1.039 4.473 626 HA PHE 84 HA PHE 84 3.042 1.741 4.884 627 HB2 PHE 84 1HB PHE 84 2.707 0.220 2.314 628 HB3 PHE 84 2HB PHE 84 2.841 1.958 2.559 629 HD1 PHE 84 2HD PHE 84 5.113 2.809 3.477 630 HD2 PHE 84 1HD PHE 84 4.551 -0.988 1.637 631 HE1 PHE 84 2HE PHE 84 7.522 2.691 2.993 632 HE2 PHE 84 1HE PHE 84 6.959 -1.113 1.151 633 HZ PHE 84 HZ PHE 84 8.449 0.728 1.828 634 H LYS 85 H LYS 85 1.071 2.051 5.654 635 HA LYS 85 HA LYS 85 -0.965 -0.024 5.258 636 HB2 LYS 85 1HB LYS 85 -0.672 0.508 7.563 637 HB3 LYS 85 2HB LYS 85 -0.715 2.236 7.240 638 HG2 LYS 85 1HG LYS 85 -3.091 1.973 6.535 639 HG3 LYS 85 2HG LYS 85 -3.007 0.294 7.074 640 HD2 LYS 85 1HD LYS 85 -3.926 1.434 8.898 641 HD3 LYS 85 2HD LYS 85 -2.220 1.258 9.318 642 HE2 LYS 85 1HE LYS 85 -1.932 3.579 8.256 643 HE3 LYS 85 2HE LYS 85 -3.686 3.701 8.373 644 HZ1 LYS 85 1HZ LYS 85 -2.687 2.810 10.834 645 HZ2 LYS 85 2HZ LYS 85 -3.475 4.265 10.488 646 HZ3 LYS 85 3HZ LYS 85 -1.790 4.167 10.370 647 H VAL 86 H VAL 86 -2.165 0.296 3.499 648 HA VAL 86 HA VAL 86 -2.741 2.997 2.575 649 HB VAL 86 HB VAL 86 -2.073 1.315 0.920 650 HG11 VAL 86 1HG1 VAL 86 -3.456 -0.483 2.321 651 HG12 VAL 86 2HG1 VAL 86 -4.670 -0.098 1.099 652 HG13 VAL 86 3HG1 VAL 86 -3.083 -0.695 0.611 653 HG21 VAL 86 1HG2 VAL 86 -4.188 3.105 0.743 654 HG22 VAL 86 2HG2 VAL 86 -3.318 2.365 -0.601 655 HG23 VAL 86 3HG2 VAL 86 -4.800 1.625 0.003 656 H THR 87 H THR 87 -4.354 3.974 3.631 657 HA THR 87 HA THR 87 -6.675 2.450 4.514 658 HB THR 87 HB THR 87 -6.428 5.415 4.867 659 HG1 THR 87 1HG THR 87 -5.171 3.502 6.563 660 HG21 THR 87 1HG2 THR 87 -7.244 4.032 7.197 661 HG22 THR 87 2HG2 THR 87 -8.112 3.323 5.836 662 HG23 THR 87 3HG2 THR 87 -8.217 5.056 6.142 663 H VAL 88 H VAL 88 -8.148 2.071 2.980 664 HA VAL 88 HA VAL 88 -8.870 4.276 1.162 665 HB VAL 88 HB VAL 88 -9.238 1.307 0.740 666 HG11 VAL 88 1HG1 VAL 88 -9.604 2.387 -1.685 667 HG12 VAL 88 2HG1 VAL 88 -10.925 2.087 -0.555 668 HG13 VAL 88 3HG1 VAL 88 -10.224 3.701 -0.686 669 HG21 VAL 88 1HG2 VAL 88 -6.995 3.019 0.301 670 HG22 VAL 88 2HG2 VAL 88 -7.155 1.295 -0.031 671 HG23 VAL 88 3HG2 VAL 88 -7.621 2.475 -1.255 672 H SER 89 H SER 89 -10.696 5.249 1.719 673 HA SER 89 HA SER 89 -12.986 3.614 2.533 674 HB2 SER 89 1HB SER 89 -13.537 5.093 4.376 675 HB3 SER 89 2HB SER 89 -11.894 4.490 4.597 676 HG SER 89 HG SER 89 -11.763 6.647 4.940 677 H SER 90 H SER 90 -14.970 4.404 1.907 678 HA SER 90 HA SER 90 -14.890 6.770 0.154 679 HB2 SER 90 1HB SER 90 -15.442 4.414 -0.791 680 HB3 SER 90 2HB SER 90 -17.008 4.641 -0.010 681 HG SER 90 HG SER 90 -15.954 6.636 -1.692 682 H GLU 91 H GLU 91 -17.422 7.445 -0.167 683 HA GLU 91 HA GLU 91 -18.103 8.878 2.108 684 HB2 GLU 91 1HB GLU 91 -20.312 9.217 1.017 685 HB3 GLU 91 2HB GLU 91 -18.950 9.524 -0.052 686 HG2 GLU 91 1HG GLU 91 -19.261 7.177 -0.921 687 HG3 GLU 91 2HG GLU 91 -20.782 7.147 -0.031 688 H ASN 92 H ASN 92 -19.333 5.756 0.975 689 HA ASN 92 HA ASN 92 -20.534 5.362 3.637 690 HB2 ASN 92 1HB ASN 92 -22.182 5.648 1.724 691 HB3 ASN 92 2HB ASN 92 -21.574 4.122 1.089 692 HD21 ASN 92 1HD2 ASN 92 -22.124 2.222 2.076 693 HD22 ASN 92 2HD2 ASN 92 -23.310 2.116 3.327 694 H ALA 93 H ALA 93 -17.864 4.685 2.879 695 HA ALA 93 HA ALA 93 -17.895 1.896 3.606 696 HB1 ALA 93 1HB ALA 93 -16.206 2.313 1.233 697 HB2 ALA 93 2HB ALA 93 -17.186 0.924 1.703 698 HB3 ALA 93 3HB ALA 93 -17.945 2.321 0.939 699 H PHE 94 H PHE 94 -15.814 1.113 4.260 700 HA PHE 94 HA PHE 94 -13.609 2.996 4.353 701 HB2 PHE 94 1HB PHE 94 -14.772 3.703 6.321 702 HB3 PHE 94 2HB PHE 94 -15.037 2.041 6.836 703 HD1 PHE 94 2HD PHE 94 -13.253 0.752 7.848 704 HD2 PHE 94 1HD PHE 94 -12.640 4.784 6.631 705 HE1 PHE 94 2HE PHE 94 -11.184 0.834 9.176 706 HE2 PHE 94 1HE PHE 94 -10.569 4.872 7.957 707 HZ PHE 94 HZ PHE 94 -9.839 2.896 9.233 708 H GLY 95 H GLY 95 -11.641 2.010 4.496 709 HA2 GLY 95 1HA GLY 95 -11.486 -0.788 5.303 710 HA3 GLY 95 2HA GLY 95 -11.086 -0.437 3.629 711 H GLU 96 H GLU 96 -9.180 -1.611 5.095 712 HA GLU 96 HA GLU 96 -7.124 0.423 5.154 713 HB2 GLU 96 1HB GLU 96 -7.722 -1.224 7.618 714 HB3 GLU 96 2HB GLU 96 -6.339 -0.157 7.413 715 HG2 GLU 96 1HG GLU 96 -8.076 1.688 7.018 716 HG3 GLU 96 2HG GLU 96 -9.229 0.554 7.721 717 H GLY 97 H GLY 97 -5.175 -0.369 4.555 718 HA2 GLY 97 1HA GLY 97 -4.950 -3.309 4.336 719 HA3 GLY 97 2HA GLY 97 -4.339 -2.206 3.112 720 H PHE 98 H PHE 98 -2.784 -4.185 4.378 721 HA PHE 98 HA PHE 98 -0.722 -2.481 5.536 722 HB2 PHE 98 1HB PHE 98 -1.999 -4.817 6.928 723 HB3 PHE 98 2HB PHE 98 -0.326 -4.383 7.264 724 HD1 PHE 98 2HD PHE 98 -3.785 -3.050 7.271 725 HD2 PHE 98 1HD PHE 98 0.185 -2.669 8.759 726 HE1 PHE 98 2HE PHE 98 -4.553 -1.352 8.877 727 HE2 PHE 98 1HE PHE 98 -0.577 -0.971 10.368 728 HZ PHE 98 HZ PHE 98 -2.949 -0.309 10.428 729 H VAL 99 H VAL 99 1.119 -2.867 4.513 730 HA VAL 99 HA VAL 99 1.756 -5.606 3.681 731 HB VAL 99 HB VAL 99 0.783 -4.283 1.748 732 HG11 VAL 99 1HG1 VAL 99 2.079 -2.184 2.506 733 HG12 VAL 99 2HG1 VAL 99 3.436 -2.898 1.633 734 HG13 VAL 99 3HG1 VAL 99 1.941 -2.516 0.779 735 HG21 VAL 99 1HG2 VAL 99 3.175 -4.825 0.465 736 HG22 VAL 99 2HG2 VAL 99 3.195 -5.891 1.870 737 HG23 VAL 99 3HG2 VAL 99 1.850 -5.958 0.732 738 H ASN 100 H ASN 100 3.699 -6.152 4.400 739 HA ASN 100 HA ASN 100 5.573 -4.041 5.175 740 HB2 ASN 100 1HB ASN 100 5.612 -7.001 5.806 741 HB3 ASN 100 2HB ASN 100 6.725 -5.798 6.450 742 HD21 ASN 100 1HD2 ASN 100 6.196 -6.036 8.567 743 HD22 ASN 100 2HD2 ASN 100 4.652 -5.619 9.222 744 H VAL 101 H VAL 101 7.553 -3.792 4.273 745 HA VAL 101 HA VAL 101 8.348 -5.706 2.178 746 HB VAL 101 HB VAL 101 8.603 -2.699 2.027 747 HG11 VAL 101 1HG1 VAL 101 9.232 -3.403 -0.411 748 HG12 VAL 101 2HG1 VAL 101 10.451 -3.429 0.865 749 HG13 VAL 101 3HG1 VAL 101 9.672 -4.928 0.357 750 HG21 VAL 101 1HG2 VAL 101 6.772 -4.658 0.670 751 HG22 VAL 101 2HG2 VAL 101 6.347 -3.218 1.595 752 HG23 VAL 101 3HG2 VAL 101 7.097 -3.056 0.007 753 H THR 102 H THR 102 10.313 -6.518 2.459 754 HA THR 102 HA THR 102 12.136 -5.166 4.327 755 HB THR 102 HB THR 102 12.187 -8.042 3.391 756 HG1 THR 102 1HG THR 102 10.522 -7.998 4.772 757 HG21 THR 102 1HG2 THR 102 14.300 -7.957 4.136 758 HG22 THR 102 2HG2 THR 102 13.595 -7.856 5.750 759 HG23 THR 102 3HG2 THR 102 14.058 -6.384 4.896 760 H VAL 103 H VAL 103 14.201 -4.636 3.755 761 HA VAL 103 HA VAL 103 14.906 -5.014 0.918 762 HB VAL 103 HB VAL 103 15.733 -2.762 2.756 763 HG11 VAL 103 1HG1 VAL 103 16.690 -3.673 0.138 764 HG12 VAL 103 2HG1 VAL 103 16.307 -1.952 0.224 765 HG13 VAL 103 3HG1 VAL 103 17.475 -2.654 1.344 766 HG21 VAL 103 1HG2 VAL 103 13.657 -2.991 0.606 767 HG22 VAL 103 2HG2 VAL 103 13.505 -2.328 2.233 768 HG23 VAL 103 3HG2 VAL 103 14.392 -1.436 0.998 769 H LYS 104 H LYS 104 16.176 -6.807 0.998 770 HA LYS 104 HA LYS 104 18.094 -7.296 3.045 771 HB2 LYS 104 1HB LYS 104 17.841 -8.520 0.291 772 HB3 LYS 104 2HB LYS 104 18.850 -9.140 1.592 773 HG2 LYS 104 1HG LYS 104 15.953 -8.771 2.127 774 HG3 LYS 104 2HG LYS 104 16.452 -10.118 1.101 775 HD2 LYS 104 1HD LYS 104 17.855 -10.999 2.832 776 HD3 LYS 104 2HD LYS 104 17.602 -9.568 3.834 777 HE2 LYS 104 1HE LYS 104 15.217 -11.119 2.970 778 HE3 LYS 104 2HE LYS 104 16.247 -11.810 4.223 779 HZ1 LYS 104 1HZ LYS 104 14.283 -9.882 4.529 780 HZ2 LYS 104 2HZ LYS 104 15.754 -9.085 4.775 781 HZ3 LYS 104 3HZ LYS 104 15.363 -10.443 5.704 782 HA PRO 105 HA PRO 105 21.575 -5.016 1.642 783 HB2 PRO 105 1HB PRO 105 23.606 -6.637 2.431 784 HB3 PRO 105 2HB PRO 105 22.636 -5.689 3.566 785 HG2 PRO 105 1HG PRO 105 22.407 -8.583 2.836 786 HG3 PRO 105 2HG PRO 105 22.308 -7.821 4.434 787 HD2 PRO 105 1HD PRO 105 20.112 -8.579 3.043 788 HD3 PRO 105 2HD PRO 105 20.116 -7.175 4.129 789 H ALA 106 H ALA 106 23.302 -4.985 0.112 790 HA ALA 106 HA ALA 106 22.805 -6.367 -2.268 791 HB1 ALA 106 1HB ALA 106 24.073 -4.174 -1.908 792 HB2 ALA 106 2HB ALA 106 25.482 -5.189 -1.599 793 HB3 ALA 106 3HB ALA 106 24.665 -5.266 -3.160 794 H ARG 107 H ARG 107 22.944 -8.516 -2.439 795 HA ARG 107 HA ARG 107 24.759 -10.107 -0.930 796 HB2 ARG 107 1HB ARG 107 22.840 -10.643 -3.170 797 HB3 ARG 107 2HB ARG 107 23.986 -11.884 -2.681 798 HG2 ARG 107 1HG ARG 107 22.210 -10.554 -0.673 799 HG3 ARG 107 2HG ARG 107 21.634 -11.902 -1.655 800 HD2 ARG 107 1HD ARG 107 24.228 -12.155 -0.206 801 HD3 ARG 107 2HD ARG 107 22.722 -12.320 0.694 802 HE ARG 107 HE ARG 107 22.574 -13.950 -1.573 803 HH11 ARG 107 2HH1 ARG 107 24.347 -13.720 1.414 804 HH12 ARG 107 1HH1 ARG 107 24.613 -15.428 1.539 805 HH21 ARG 107 2HH2 ARG 107 22.918 -16.200 -1.420 806 HH22 ARG 107 1HH2 ARG 107 23.800 -16.837 -0.074 807 H SER 108 H SER 108 24.666 -9.005 -4.293 808 HA SER 108 HA SER 108 27.424 -9.990 -4.620 809 HB2 SER 108 1HB SER 108 25.385 -9.412 -6.783 810 HB3 SER 108 2HB SER 108 26.998 -10.083 -7.022 811 HG SER 108 HG SER 108 26.031 -11.709 -5.351 812 H GLY 109 H GLY 109 28.240 -8.063 -3.615 813 HA2 GLY 109 1HA GLY 109 27.923 -5.622 -5.239 814 HA3 GLY 109 2HA GLY 109 28.409 -5.651 -3.550 815 HA PRO 110 HA PRO 110 32.175 -7.023 -6.316 816 HB2 PRO 110 1HB PRO 110 32.058 -6.118 -8.873 817 HB3 PRO 110 2HB PRO 110 31.448 -7.704 -8.386 818 HG2 PRO 110 1HG PRO 110 29.945 -5.155 -8.842 819 HG3 PRO 110 2HG PRO 110 29.526 -6.805 -9.338 820 HD2 PRO 110 1HD PRO 110 28.424 -5.610 -7.173 821 HD3 PRO 110 2HD PRO 110 28.714 -7.360 -7.254 822 H SER 111 H SER 111 33.891 -5.769 -5.936 823 HA SER 111 HA SER 111 33.596 -2.858 -6.294 824 HB2 SER 111 1HB SER 111 35.216 -4.410 -4.264 825 HB3 SER 111 2HB SER 111 35.345 -2.666 -4.498 826 HG SER 111 HG SER 111 33.252 -4.175 -3.416 827 H SER 112 H SER 112 35.001 -1.825 -7.573 828 HA SER 112 HA SER 112 36.906 -3.376 -9.078 829 HB2 SER 112 1HB SER 112 37.198 -1.402 -10.422 830 HB3 SER 112 2HB SER 112 35.476 -1.562 -10.076 831 HG SER 112 HG SER 112 35.925 -0.072 -8.271 832 H GLY 113 H GLY 113 39.150 -3.000 -9.209 833 HA2 GLY 113 1HA GLY 113 40.411 -2.501 -6.718 834 HA3 GLY 113 2HA GLY 113 41.225 -2.737 -8.257 Start of MODEL 3 1 H1 GLY 1 H GLY 1 -32.453 3.218 30.766 2 HA2 GLY 1 1HA GLY 1 -34.974 3.842 31.988 3 HA3 GLY 1 2HA GLY 1 -33.948 5.258 31.811 4 H SER 2 H SER 2 -33.867 6.273 29.891 5 HA SER 2 HA SER 2 -35.022 4.903 27.557 6 HB2 SER 2 1HB SER 2 -35.573 7.767 28.373 7 HB3 SER 2 2HB SER 2 -36.174 6.975 26.916 8 HG SER 2 HG SER 2 -36.700 5.998 29.520 9 H SER 3 H SER 3 -33.168 7.741 28.635 10 HA SER 3 HA SER 3 -32.101 8.686 26.345 11 HB2 SER 3 1HB SER 3 -31.567 9.523 28.633 12 HB3 SER 3 2HB SER 3 -30.463 8.163 28.837 13 HG SER 3 HG SER 3 -30.031 9.553 26.526 14 H GLY 4 H GLY 4 -30.864 7.976 24.726 15 HA2 GLY 4 1HA GLY 4 -28.660 6.374 24.773 16 HA3 GLY 4 2HA GLY 4 -29.995 5.233 24.707 17 H SER 5 H SER 5 -27.792 6.176 22.782 18 HA SER 5 HA SER 5 -29.278 7.275 20.568 19 HB2 SER 5 1HB SER 5 -27.120 6.966 19.329 20 HB3 SER 5 2HB SER 5 -26.966 7.932 20.797 21 HG SER 5 HG SER 5 -26.520 5.152 20.859 22 H SER 6 H SER 6 -30.805 5.893 19.825 23 HA SER 6 HA SER 6 -30.244 3.083 19.460 24 HB2 SER 6 1HB SER 6 -32.561 2.957 18.631 25 HB3 SER 6 2HB SER 6 -32.480 3.806 20.175 26 HG SER 6 HG SER 6 -33.392 4.687 17.804 27 H GLY 7 H GLY 7 -29.389 2.202 17.699 28 HA2 GLY 7 1HA GLY 7 -29.226 1.819 15.374 29 HA3 GLY 7 2HA GLY 7 -29.867 3.431 15.088 30 HA PRO 8 HA PRO 8 -25.095 3.659 16.069 31 HB2 PRO 8 1HB PRO 8 -23.746 1.444 15.265 32 HB3 PRO 8 2HB PRO 8 -24.365 1.648 16.908 33 HG2 PRO 8 1HG PRO 8 -25.538 0.117 14.619 34 HG3 PRO 8 2HG PRO 8 -25.410 -0.346 16.326 35 HD2 PRO 8 1HD PRO 8 -27.702 0.606 15.242 36 HD3 PRO 8 2HD PRO 8 -27.249 0.904 16.933 37 H ARG 9 H ARG 9 -23.843 4.667 14.584 38 HA ARG 9 HA ARG 9 -24.582 4.357 11.781 39 HB2 ARG 9 1HB ARG 9 -23.094 6.446 13.343 40 HB3 ARG 9 2HB ARG 9 -22.975 6.391 11.589 41 HG2 ARG 9 1HG ARG 9 -24.695 7.863 11.834 42 HG3 ARG 9 2HG ARG 9 -25.598 6.350 11.739 43 HD2 ARG 9 1HD ARG 9 -25.866 6.269 14.103 44 HD3 ARG 9 2HD ARG 9 -24.727 7.595 14.337 45 HE ARG 9 HE ARG 9 -26.985 8.338 12.741 46 HH11 ARG 9 2HH1 ARG 9 -25.837 7.909 16.000 47 HH12 ARG 9 1HH1 ARG 9 -26.968 9.028 16.685 48 HH21 ARG 9 2HH2 ARG 9 -28.479 9.814 13.631 49 HH22 ARG 9 1HH2 ARG 9 -28.472 10.110 15.336 50 H THR 10 H THR 10 -23.422 3.170 10.429 51 HA THR 10 HA THR 10 -20.530 2.931 10.832 52 HB THR 10 HB THR 10 -20.669 0.486 10.266 53 HG1 THR 10 1HG THR 10 -22.573 -0.282 9.790 54 HG21 THR 10 1HG2 THR 10 -20.208 0.610 12.479 55 HG22 THR 10 2HG2 THR 10 -21.860 0.016 12.645 56 HG23 THR 10 3HG2 THR 10 -21.523 1.740 12.796 57 H VAL 11 H VAL 11 -19.406 2.081 8.916 58 HA VAL 11 HA VAL 11 -20.846 2.787 6.443 59 HB VAL 11 HB VAL 11 -18.743 3.458 5.467 60 HG11 VAL 11 1HG1 VAL 11 -19.780 4.666 7.910 61 HG12 VAL 11 2HG1 VAL 11 -18.107 5.109 7.566 62 HG13 VAL 11 3HG1 VAL 11 -19.365 5.408 6.366 63 HG21 VAL 11 1HG2 VAL 11 -17.389 2.889 8.093 64 HG22 VAL 11 2HG2 VAL 11 -17.403 1.738 6.757 65 HG23 VAL 11 3HG2 VAL 11 -16.646 3.317 6.551 66 H LYS 12 H LYS 12 -19.881 1.725 4.457 67 HA LYS 12 HA LYS 12 -20.052 -1.085 4.739 68 HB2 LYS 12 1HB LYS 12 -19.574 0.822 2.517 69 HB3 LYS 12 2HB LYS 12 -19.031 -0.832 2.264 70 HG2 LYS 12 1HG LYS 12 -21.783 -0.422 3.293 71 HG3 LYS 12 2HG LYS 12 -21.460 -0.033 1.602 72 HD2 LYS 12 1HD LYS 12 -20.443 -2.624 2.634 73 HD3 LYS 12 2HD LYS 12 -22.184 -2.470 2.389 74 HE2 LYS 12 1HE LYS 12 -21.779 -1.767 0.071 75 HE3 LYS 12 2HE LYS 12 -20.044 -1.956 0.324 76 HZ1 LYS 12 1HZ LYS 12 -21.374 -4.320 1.088 77 HZ2 LYS 12 2HZ LYS 12 -20.218 -4.101 -0.127 78 HZ3 LYS 12 3HZ LYS 12 -21.860 -3.896 -0.476 79 H GLU 13 H GLU 13 -18.539 -2.564 5.140 80 HA GLU 13 HA GLU 13 -15.802 -1.712 5.534 81 HB2 GLU 13 1HB GLU 13 -17.390 -4.157 6.165 82 HB3 GLU 13 2HB GLU 13 -15.641 -4.306 6.067 83 HG2 GLU 13 1HG GLU 13 -16.752 -2.102 7.709 84 HG3 GLU 13 2HG GLU 13 -16.883 -3.746 8.329 85 H LEU 14 H LEU 14 -14.149 -2.026 4.182 86 HA LEU 14 HA LEU 14 -14.582 -3.780 1.854 87 HB2 LEU 14 1HB LEU 14 -12.818 -1.344 1.917 88 HB3 LEU 14 2HB LEU 14 -13.287 -2.298 0.511 89 HG LEU 14 HG LEU 14 -15.197 -0.635 2.149 90 HD11 LEU 14 1HD1 LEU 14 -13.320 0.571 0.844 91 HD12 LEU 14 2HD1 LEU 14 -14.988 1.100 0.631 92 HD13 LEU 14 3HD1 LEU 14 -14.225 0.080 -0.588 93 HD21 LEU 14 1HD2 LEU 14 -16.038 -1.116 -0.519 94 HD22 LEU 14 2HD2 LEU 14 -16.791 -1.647 0.986 95 HD23 LEU 14 3HD2 LEU 14 -15.580 -2.661 0.199 96 H THR 15 H THR 15 -12.947 -5.143 1.239 97 HA THR 15 HA THR 15 -10.892 -5.629 3.239 98 HB THR 15 HB THR 15 -11.644 -7.207 0.771 99 HG1 THR 15 1HG THR 15 -13.190 -7.207 2.515 100 HG21 THR 15 1HG2 THR 15 -9.537 -8.002 1.048 101 HG22 THR 15 2HG2 THR 15 -10.307 -8.954 2.318 102 HG23 THR 15 3HG2 THR 15 -9.443 -7.472 2.727 103 H VAL 16 H VAL 16 -9.430 -3.948 2.912 104 HA VAL 16 HA VAL 16 -8.256 -3.569 0.281 105 HB VAL 16 HB VAL 16 -7.645 -2.222 2.916 106 HG11 VAL 16 1HG1 VAL 16 -5.758 -2.324 1.238 107 HG12 VAL 16 2HG1 VAL 16 -6.767 -1.340 0.177 108 HG13 VAL 16 3HG1 VAL 16 -6.255 -0.710 1.743 109 HG21 VAL 16 1HG2 VAL 16 -8.925 -0.385 2.136 110 HG22 VAL 16 2HG2 VAL 16 -9.068 -1.079 0.521 111 HG23 VAL 16 3HG2 VAL 16 -9.912 -1.824 1.879 112 H SER 17 H SER 17 -6.872 -5.126 -0.313 113 HA SER 17 HA SER 17 -4.726 -5.836 1.577 114 HB2 SER 17 1HB SER 17 -6.502 -7.648 1.004 115 HB3 SER 17 2HB SER 17 -5.673 -7.738 -0.550 116 HG SER 17 HG SER 17 -4.299 -8.972 0.431 117 H ALA 18 H ALA 18 -2.681 -5.691 0.846 118 HA ALA 18 HA ALA 18 -2.254 -4.479 -1.744 119 HB1 ALA 18 1HB ALA 18 -0.016 -4.097 -1.033 120 HB2 ALA 18 2HB ALA 18 -1.066 -3.760 0.344 121 HB3 ALA 18 3HB ALA 18 -0.164 -5.273 0.273 122 H GLY 19 H GLY 19 -1.540 -7.546 -0.145 123 HA2 GLY 19 1HA GLY 19 -1.712 -9.319 -2.088 124 HA3 GLY 19 2HA GLY 19 -0.207 -8.540 -2.552 125 H ASP 20 H ASP 20 1.520 -8.499 -0.880 126 HA ASP 20 HA ASP 20 1.462 -10.181 1.374 127 HB2 ASP 20 1HB ASP 20 1.349 -11.819 -0.653 128 HB3 ASP 20 2HB ASP 20 3.061 -11.444 -0.830 129 H ASN 21 H ASN 21 3.725 -10.628 2.201 130 HA ASN 21 HA ASN 21 5.184 -8.248 2.296 131 HB2 ASN 21 1HB ASN 21 6.909 -9.559 3.470 132 HB3 ASN 21 2HB ASN 21 5.295 -9.927 4.071 133 HD21 ASN 21 1HD2 ASN 21 4.925 -11.987 4.392 134 HD22 ASN 21 2HD2 ASN 21 5.655 -13.303 3.543 135 H LEU 22 H LEU 22 6.890 -7.456 1.187 136 HA LEU 22 HA LEU 22 7.890 -9.077 -1.061 137 HB2 LEU 22 1HB LEU 22 7.813 -6.072 -0.880 138 HB3 LEU 22 2HB LEU 22 8.251 -7.042 -2.285 139 HG LEU 22 HG LEU 22 6.113 -6.305 -2.792 140 HD11 LEU 22 1HD1 LEU 22 5.727 -8.963 -1.424 141 HD12 LEU 22 2HD1 LEU 22 6.285 -8.713 -3.077 142 HD13 LEU 22 3HD1 LEU 22 4.644 -8.254 -2.621 143 HD21 LEU 22 1HD2 LEU 22 5.624 -5.322 -0.600 144 HD22 LEU 22 2HD2 LEU 22 5.275 -6.928 0.039 145 HD23 LEU 22 3HD2 LEU 22 4.254 -6.240 -1.225 146 H ILE 23 H ILE 23 10.082 -9.136 -1.474 147 HA ILE 23 HA ILE 23 11.839 -7.764 0.444 148 HB ILE 23 HB ILE 23 12.132 -10.648 -0.403 149 HG12 ILE 23 1HG1 ILE 23 11.453 -9.476 2.303 150 HG13 ILE 23 2HG1 ILE 23 10.305 -10.267 1.228 151 HG21 ILE 23 1HG2 ILE 23 13.959 -10.648 1.301 152 HG22 ILE 23 2HG2 ILE 23 14.291 -9.667 -0.126 153 HG23 ILE 23 3HG2 ILE 23 13.806 -8.894 1.383 154 HD11 ILE 23 1HD1 ILE 23 12.044 -12.238 1.393 155 HD12 ILE 23 2HD1 ILE 23 12.449 -11.433 2.909 156 HD13 ILE 23 3HD1 ILE 23 10.801 -11.991 2.620 157 H ILE 24 H ILE 24 13.456 -6.702 -0.494 158 HA ILE 24 HA ILE 24 14.207 -7.450 -3.245 159 HB ILE 24 HB ILE 24 14.968 -4.897 -3.217 160 HG12 ILE 24 1HG1 ILE 24 12.555 -4.960 -1.391 161 HG13 ILE 24 2HG1 ILE 24 14.189 -4.516 -0.910 162 HG21 ILE 24 1HG2 ILE 24 12.097 -5.666 -3.701 163 HG22 ILE 24 2HG2 ILE 24 13.014 -4.381 -4.486 164 HG23 ILE 24 3HG2 ILE 24 13.421 -6.069 -4.793 165 HD11 ILE 24 1HD1 ILE 24 12.410 -3.044 -2.837 166 HD12 ILE 24 2HD1 ILE 24 12.886 -2.533 -1.217 167 HD13 ILE 24 3HD1 ILE 24 14.091 -2.628 -2.502 168 H THR 25 H THR 25 16.421 -6.872 -3.864 169 HA THR 25 HA THR 25 18.271 -6.838 -1.572 170 HB THR 25 HB THR 25 18.683 -8.433 -4.108 171 HG1 THR 25 1HG THR 25 18.313 -9.588 -1.566 172 HG21 THR 25 1HG2 THR 25 20.576 -9.406 -2.907 173 HG22 THR 25 2HG2 THR 25 20.239 -8.371 -1.519 174 HG23 THR 25 3HG2 THR 25 20.756 -7.657 -3.047 175 H LEU 26 H LEU 26 20.060 -5.565 -1.756 176 HA LEU 26 HA LEU 26 20.029 -3.414 -3.548 177 HB2 LEU 26 1HB LEU 26 22.100 -4.533 -1.697 178 HB3 LEU 26 2HB LEU 26 22.484 -3.182 -2.762 179 HG LEU 26 HG LEU 26 20.384 -3.218 -0.595 180 HD11 LEU 26 1HD1 LEU 26 21.855 -2.203 0.758 181 HD12 LEU 26 2HD1 LEU 26 22.560 -1.254 -0.550 182 HD13 LEU 26 3HD1 LEU 26 23.066 -2.924 -0.302 183 HD21 LEU 26 1HD2 LEU 26 20.212 -0.781 -1.137 184 HD22 LEU 26 2HD2 LEU 26 19.571 -1.858 -2.378 185 HD23 LEU 26 3HD2 LEU 26 21.149 -1.100 -2.596 186 HA PRO 27 HA PRO 27 21.872 -1.996 -4.228 187 HB2 PRO 27 1HB PRO 27 21.771 -0.809 -6.668 188 HB3 PRO 27 2HB PRO 27 23.279 -1.363 -5.931 189 HG2 PRO 27 1HG PRO 27 21.583 -2.697 -8.005 190 HG3 PRO 27 2HG PRO 27 23.348 -2.545 -7.932 191 HD2 PRO 27 1HD PRO 27 22.050 -4.807 -7.205 192 HD3 PRO 27 2HD PRO 27 23.562 -4.285 -6.436 193 H ASP 28 H ASP 28 19.758 -3.667 -6.439 194 HA ASP 28 HA ASP 28 17.752 -1.900 -6.957 195 HB2 ASP 28 1HB ASP 28 17.768 -4.836 -6.404 196 HB3 ASP 28 2HB ASP 28 16.215 -4.014 -6.537 197 H ASN 29 H ASN 29 17.087 -0.410 -5.520 198 HA ASN 29 HA ASN 29 16.056 -1.382 -2.936 199 HB2 ASN 29 1HB ASN 29 16.584 0.837 -2.004 200 HB3 ASN 29 2HB ASN 29 18.026 0.036 -2.623 201 HD21 ASN 29 1HD2 ASN 29 19.151 1.931 -2.909 202 HD22 ASN 29 2HD2 ASN 29 18.761 3.073 -4.145 203 H GLU 30 H GLU 30 14.650 -1.172 -5.495 204 HA GLU 30 HA GLU 30 12.622 0.828 -4.736 205 HB2 GLU 30 1HB GLU 30 13.110 -0.163 -7.543 206 HB3 GLU 30 2HB GLU 30 12.112 1.193 -7.038 207 HG2 GLU 30 1HG GLU 30 14.131 2.376 -6.288 208 HG3 GLU 30 2HG GLU 30 15.112 1.029 -6.864 209 H VAL 31 H VAL 31 10.461 0.242 -4.868 210 HA VAL 31 HA VAL 31 9.745 -2.430 -5.749 211 HB VAL 31 HB VAL 31 10.274 -3.070 -3.561 212 HG11 VAL 31 1HG1 VAL 31 9.160 -0.405 -2.773 213 HG12 VAL 31 2HG1 VAL 31 9.302 -1.707 -1.591 214 HG13 VAL 31 3HG1 VAL 31 10.739 -1.104 -2.416 215 HG21 VAL 31 1HG2 VAL 31 8.054 -3.817 -4.222 216 HG22 VAL 31 2HG2 VAL 31 8.117 -3.528 -2.483 217 HG23 VAL 31 3HG2 VAL 31 7.343 -2.352 -3.545 218 H GLU 32 H GLU 32 7.683 -2.548 -6.468 219 HA GLU 32 HA GLU 32 6.020 -0.143 -6.118 220 HB2 GLU 32 1HB GLU 32 6.497 -0.323 -8.411 221 HB3 GLU 32 2HB GLU 32 6.319 -2.071 -8.403 222 HG2 GLU 32 1HG GLU 32 3.979 -1.944 -8.317 223 HG3 GLU 32 2HG GLU 32 4.007 -0.239 -7.871 224 H LEU 33 H LEU 33 4.458 -0.447 -4.680 225 HA LEU 33 HA LEU 33 3.318 -3.118 -4.324 226 HB2 LEU 33 1HB LEU 33 2.793 -0.664 -2.666 227 HB3 LEU 33 2HB LEU 33 2.455 -2.342 -2.246 228 HG LEU 33 HG LEU 33 5.284 -1.543 -2.723 229 HD11 LEU 33 1HD1 LEU 33 4.135 0.185 -1.229 230 HD12 LEU 33 2HD1 LEU 33 5.586 -0.599 -0.607 231 HD13 LEU 33 3HD1 LEU 33 3.996 -1.117 -0.048 232 HD21 LEU 33 1HD2 LEU 33 5.274 -3.124 -0.566 233 HD22 LEU 33 2HD2 LEU 33 5.276 -3.749 -2.215 234 HD23 LEU 33 3HD2 LEU 33 3.765 -3.650 -1.311 235 H LYS 34 H LYS 34 1.074 -3.488 -4.358 236 HA LYS 34 HA LYS 34 -0.479 -1.435 -5.794 237 HB2 LYS 34 1HB LYS 34 -0.410 -4.424 -6.119 238 HB3 LYS 34 2HB LYS 34 -1.799 -3.483 -6.647 239 HG2 LYS 34 1HG LYS 34 -0.456 -2.252 -8.199 240 HG3 LYS 34 2HG LYS 34 1.020 -2.995 -7.580 241 HD2 LYS 34 1HD LYS 34 0.655 -4.286 -9.440 242 HD3 LYS 34 2HD LYS 34 -0.222 -5.223 -8.228 243 HE2 LYS 34 1HE LYS 34 -1.579 -5.015 -10.207 244 HE3 LYS 34 2HE LYS 34 -2.305 -4.075 -8.904 245 HZ1 LYS 34 1HZ LYS 34 -1.693 -3.178 -11.421 246 HZ2 LYS 34 2HZ LYS 34 -0.489 -2.508 -10.439 247 HZ3 LYS 34 3HZ LYS 34 -2.120 -2.225 -10.090 248 H ALA 35 H ALA 35 -2.740 -1.330 -5.341 249 HA ALA 35 HA ALA 35 -3.440 -2.414 -2.689 250 HB1 ALA 35 1HB ALA 35 -3.410 0.259 -3.605 251 HB2 ALA 35 2HB ALA 35 -5.097 -0.198 -3.366 252 HB3 ALA 35 3HB ALA 35 -3.944 -0.355 -2.041 253 H PHE 36 H PHE 36 -5.106 -3.768 -2.603 254 HA PHE 36 HA PHE 36 -7.016 -3.780 -4.847 255 HB2 PHE 36 1HB PHE 36 -5.829 -6.080 -3.302 256 HB3 PHE 36 2HB PHE 36 -7.293 -6.254 -4.264 257 HD1 PHE 36 2HD PHE 36 -3.681 -5.605 -4.381 258 HD2 PHE 36 1HD PHE 36 -7.212 -6.320 -6.647 259 HE1 PHE 36 2HE PHE 36 -2.310 -5.993 -6.387 260 HE2 PHE 36 1HE PHE 36 -5.847 -6.710 -8.657 261 HZ PHE 36 HZ PHE 36 -3.393 -6.545 -8.529 262 H VAL 37 H VAL 37 -9.133 -3.672 -4.371 263 HA VAL 37 HA VAL 37 -9.974 -4.088 -1.586 264 HB VAL 37 HB VAL 37 -9.841 -1.738 -1.668 265 HG11 VAL 37 1HG1 VAL 37 -10.159 -2.077 -4.433 266 HG12 VAL 37 2HG1 VAL 37 -11.504 -1.063 -3.908 267 HG13 VAL 37 3HG1 VAL 37 -9.844 -0.577 -3.561 268 HG21 VAL 37 1HG2 VAL 37 -11.997 -1.120 -1.144 269 HG22 VAL 37 2HG2 VAL 37 -12.702 -2.053 -2.464 270 HG23 VAL 37 3HG2 VAL 37 -12.105 -2.876 -1.023 271 H ALA 38 H ALA 38 -11.707 -5.351 -1.412 272 HA ALA 38 HA ALA 38 -13.439 -5.681 -3.776 273 HB1 ALA 38 1HB ALA 38 -13.667 -7.998 -3.326 274 HB2 ALA 38 2HB ALA 38 -11.941 -7.639 -3.266 275 HB3 ALA 38 3HB ALA 38 -12.851 -7.846 -1.769 276 HA PRO 39 HA PRO 39 -15.313 -6.691 -4.289 277 HB2 PRO 39 1HB PRO 39 -17.523 -5.319 -5.067 278 HB3 PRO 39 2HB PRO 39 -17.603 -6.829 -4.153 279 HG2 PRO 39 1HG PRO 39 -17.846 -4.009 -3.177 280 HG3 PRO 39 2HG PRO 39 -18.806 -5.433 -2.735 281 HD2 PRO 39 1HD PRO 39 -16.806 -4.483 -1.176 282 HD3 PRO 39 2HD PRO 39 -17.209 -6.209 -1.265 283 H ALA 40 H ALA 40 -15.048 -5.709 -6.375 284 HA ALA 40 HA ALA 40 -13.444 -3.357 -6.315 285 HB1 ALA 40 1HB ALA 40 -12.793 -3.972 -8.372 286 HB2 ALA 40 2HB ALA 40 -13.646 -5.472 -8.008 287 HB3 ALA 40 3HB ALA 40 -14.449 -4.205 -8.935 288 HA PRO 41 HA PRO 41 -16.568 -0.278 -6.772 289 HB2 PRO 41 1HB PRO 41 -15.003 1.734 -7.706 290 HB3 PRO 41 2HB PRO 41 -14.989 1.210 -6.018 291 HG2 PRO 41 1HG PRO 41 -13.094 0.523 -8.231 292 HG3 PRO 41 2HG PRO 41 -12.740 0.942 -6.545 293 HD2 PRO 41 1HD PRO 41 -12.751 -1.614 -7.438 294 HD3 PRO 41 2HD PRO 41 -13.225 -1.179 -5.783 295 HA PRO 42 HA PRO 42 -17.850 -0.465 -10.992 296 HB2 PRO 42 1HB PRO 42 -19.625 1.589 -10.984 297 HB3 PRO 42 2HB PRO 42 -19.955 0.031 -10.217 298 HG2 PRO 42 1HG PRO 42 -19.036 2.596 -8.977 299 HG3 PRO 42 2HG PRO 42 -20.260 1.451 -8.400 300 HD2 PRO 42 1HD PRO 42 -17.742 1.515 -7.406 301 HD3 PRO 42 2HD PRO 42 -18.685 0.015 -7.522 302 H VAL 43 H VAL 43 -18.559 1.500 -12.666 303 HA VAL 43 HA VAL 43 -16.047 2.709 -13.338 304 HB VAL 43 HB VAL 43 -17.537 1.861 -15.089 305 HG11 VAL 43 1HG1 VAL 43 -19.659 2.463 -13.938 306 HG12 VAL 43 2HG1 VAL 43 -19.374 4.146 -14.387 307 HG13 VAL 43 3HG1 VAL 43 -19.615 2.927 -15.639 308 HG21 VAL 43 1HG2 VAL 43 -17.412 4.832 -15.457 309 HG22 VAL 43 2HG2 VAL 43 -15.938 3.867 -15.372 310 HG23 VAL 43 3HG2 VAL 43 -17.127 3.551 -16.636 311 H GLU 44 H GLU 44 -19.139 3.832 -12.075 312 HA GLU 44 HA GLU 44 -18.427 6.611 -12.218 313 HB2 GLU 44 1HB GLU 44 -20.698 5.118 -10.917 314 HB3 GLU 44 2HB GLU 44 -20.497 6.855 -10.739 315 HG2 GLU 44 1HG GLU 44 -20.714 7.168 -13.118 316 HG3 GLU 44 2HG GLU 44 -20.783 5.425 -13.371 317 H THR 45 H THR 45 -19.309 4.663 -9.369 318 HA THR 45 HA THR 45 -18.000 6.387 -7.549 319 HB THR 45 HB THR 45 -18.754 3.496 -7.085 320 HG1 THR 45 1HG THR 45 -20.527 4.808 -7.831 321 HG21 THR 45 1HG2 THR 45 -19.045 4.355 -4.725 322 HG22 THR 45 2HG2 THR 45 -18.216 5.822 -5.245 323 HG23 THR 45 3HG2 THR 45 -17.382 4.270 -5.305 324 H THR 46 H THR 46 -16.015 6.305 -6.604 325 HA THR 46 HA THR 46 -14.243 4.057 -7.155 326 HB THR 46 HB THR 46 -12.401 5.709 -7.792 327 HG1 THR 46 1HG THR 46 -14.516 7.361 -8.673 328 HG21 THR 46 1HG2 THR 46 -14.328 5.838 -10.004 329 HG22 THR 46 2HG2 THR 46 -14.111 4.230 -9.313 330 HG23 THR 46 3HG2 THR 46 -12.721 5.116 -9.941 331 H TYR 47 H TYR 47 -12.614 3.793 -5.651 332 HA TYR 47 HA TYR 47 -12.940 5.338 -3.202 333 HB2 TYR 47 1HB TYR 47 -11.186 2.919 -3.638 334 HB3 TYR 47 2HB TYR 47 -11.739 3.578 -2.103 335 HD1 TYR 47 2HD TYR 47 -14.555 3.934 -2.374 336 HD2 TYR 47 1HD TYR 47 -12.120 0.839 -3.983 337 HE1 TYR 47 2HE TYR 47 -16.505 2.437 -2.429 338 HE2 TYR 47 1HE TYR 47 -14.063 -0.667 -4.044 339 HH TYR 47 HH TYR 47 -16.482 -0.550 -4.090 340 H ASN 48 H ASN 48 -10.996 5.979 -1.973 341 HA ASN 48 HA ASN 48 -8.978 7.091 -3.795 342 HB2 ASN 48 1HB ASN 48 -10.006 7.952 -1.101 343 HB3 ASN 48 2HB ASN 48 -8.473 8.555 -1.724 344 HD21 ASN 48 1HD2 ASN 48 -11.328 9.633 -1.236 345 HD22 ASN 48 2HD2 ASN 48 -11.645 10.543 -2.669 346 H TYR 49 H TYR 49 -6.863 6.600 -3.602 347 HA TYR 49 HA TYR 49 -6.148 4.569 -1.614 348 HB2 TYR 49 1HB TYR 49 -4.599 5.423 -4.065 349 HB3 TYR 49 2HB TYR 49 -4.284 4.017 -3.054 350 HD1 TYR 49 1HD TYR 49 -6.201 2.264 -2.902 351 HD2 TYR 49 2HD TYR 49 -5.907 5.196 -5.971 352 HE1 TYR 49 1HE TYR 49 -7.660 0.899 -4.337 353 HE2 TYR 49 2HE TYR 49 -7.367 3.840 -7.414 354 HH TYR 49 HH TYR 49 -8.905 0.900 -6.228 355 H GLU 50 H GLU 50 -5.225 5.294 0.179 356 HA GLU 50 HA GLU 50 -3.248 7.463 -0.041 357 HB2 GLU 50 1HB GLU 50 -5.238 8.415 0.947 358 HB3 GLU 50 2HB GLU 50 -5.342 7.095 2.104 359 HG2 GLU 50 1HG GLU 50 -3.008 7.895 2.869 360 HG3 GLU 50 2HG GLU 50 -3.425 9.384 2.023 361 H TRP 51 H TRP 51 -1.360 6.454 0.250 362 HA TRP 51 HA TRP 51 -1.136 4.267 2.157 363 HB2 TRP 51 1HB TRP 51 0.849 5.463 0.213 364 HB3 TRP 51 2HB TRP 51 1.206 4.110 1.284 365 HD1 TRP 51 HD TRP 51 -1.029 4.997 -1.732 366 HE1 TRP 51 1HE TRP 51 -1.628 2.814 -2.958 367 HE3 TRP 51 3HE TRP 51 1.039 1.643 1.526 368 HZ2 TRP 51 2HZ TRP 51 -1.272 0.038 -2.592 369 HZ3 TRP 51 3HZ TRP 51 0.866 -0.758 1.014 370 HH2 TRP 51 HH TRP 51 -0.266 -1.541 -1.002 371 H ASN 52 H ASN 52 0.522 4.234 3.798 372 HA ASN 52 HA ASN 52 1.808 6.691 4.566 373 HB2 ASN 52 1HB ASN 52 -0.577 5.646 6.070 374 HB3 ASN 52 2HB ASN 52 0.683 6.554 6.901 375 HD21 ASN 52 1HD2 ASN 52 -1.841 6.676 4.512 376 HD22 ASN 52 2HD2 ASN 52 -1.948 8.398 4.423 377 H LEU 53 H LEU 53 3.516 6.358 5.938 378 HA LEU 53 HA LEU 53 4.272 3.589 6.362 379 HB2 LEU 53 1HB LEU 53 5.807 5.403 5.473 380 HB3 LEU 53 2HB LEU 53 5.844 6.039 7.116 381 HG LEU 53 HG LEU 53 7.081 4.241 7.917 382 HD11 LEU 53 1HD1 LEU 53 7.461 2.221 6.305 383 HD12 LEU 53 2HD1 LEU 53 5.951 2.773 5.581 384 HD13 LEU 53 3HD1 LEU 53 5.996 2.318 7.284 385 HD21 LEU 53 1HD2 LEU 53 8.574 3.830 5.581 386 HD22 LEU 53 2HD2 LEU 53 8.887 4.993 6.869 387 HD23 LEU 53 3HD2 LEU 53 7.930 5.468 5.465 388 H ILE 54 H ILE 54 4.058 2.532 8.219 389 HA ILE 54 HA ILE 54 3.571 4.100 10.668 390 HB ILE 54 HB ILE 54 2.439 1.891 11.437 391 HG12 ILE 54 1HG1 ILE 54 2.422 1.606 8.429 392 HG13 ILE 54 2HG1 ILE 54 3.043 0.459 9.611 393 HG21 ILE 54 1HG2 ILE 54 1.115 3.809 11.297 394 HG22 ILE 54 2HG2 ILE 54 1.290 3.914 9.546 395 HG23 ILE 54 3HG2 ILE 54 0.291 2.647 10.257 396 HD11 ILE 54 1HD1 ILE 54 0.521 0.548 10.434 397 HD12 ILE 54 2HD1 ILE 54 0.268 0.977 8.742 398 HD13 ILE 54 3HD1 ILE 54 1.068 -0.538 9.157 399 H SER 55 H SER 55 4.950 1.087 9.398 400 HA SER 55 HA SER 55 6.634 0.918 11.807 401 HB2 SER 55 1HB SER 55 5.025 -1.018 10.959 402 HB3 SER 55 2HB SER 55 6.397 -1.375 9.909 403 HG SER 55 HG SER 55 6.151 -2.217 12.295 404 H HIS 56 H HIS 56 8.476 1.981 11.385 405 HA HIS 56 HA HIS 56 10.197 0.962 9.298 406 HB2 HIS 56 1HB HIS 56 10.649 3.181 8.316 407 HB3 HIS 56 2HB HIS 56 8.979 2.680 8.071 408 HD1 HIS 56 1HD HIS 56 10.822 5.559 8.916 409 HD2 HIS 56 2HD HIS 56 7.310 3.868 10.353 410 HE1 HIS 56 1HE HIS 56 9.609 7.423 10.091 411 HE2 HIS 56 2HE HIS 56 7.528 6.356 11.026 412 HA PRO 57 HA PRO 57 13.223 1.785 12.382 413 HB2 PRO 57 1HB PRO 57 15.449 1.820 10.829 414 HB3 PRO 57 2HB PRO 57 14.581 0.334 11.229 415 HG2 PRO 57 1HG PRO 57 14.455 1.988 8.737 416 HG3 PRO 57 2HG PRO 57 14.523 0.224 8.907 417 HD2 PRO 57 1HD PRO 57 12.215 1.554 8.416 418 HD3 PRO 57 2HD PRO 57 12.271 0.057 9.369 419 H THR 58 H THR 58 14.146 3.523 13.334 420 HA THR 58 HA THR 58 13.632 6.109 12.472 421 HB THR 58 HB THR 58 14.360 5.253 14.813 422 HG1 THR 58 1HG THR 58 15.384 7.728 13.831 423 HG21 THR 58 1HG2 THR 58 16.530 4.365 14.204 424 HG22 THR 58 2HG2 THR 58 16.743 5.724 15.309 425 HG23 THR 58 3HG2 THR 58 17.031 5.936 13.582 426 H ASP 59 H ASP 59 16.334 4.015 11.776 427 HA ASP 59 HA ASP 59 18.171 5.931 10.862 428 HB2 ASP 59 1HB ASP 59 17.906 3.148 9.729 429 HB3 ASP 59 2HB ASP 59 19.364 4.125 9.881 430 H TYR 60 H TYR 60 15.307 4.628 9.435 431 HA TYR 60 HA TYR 60 15.820 5.037 6.721 432 HB2 TYR 60 1HB TYR 60 13.865 3.809 7.469 433 HB3 TYR 60 2HB TYR 60 13.215 5.249 8.244 434 HD1 TYR 60 1HD TYR 60 14.557 4.409 4.850 435 HD2 TYR 60 2HD TYR 60 11.419 6.154 7.132 436 HE1 TYR 60 1HE TYR 60 13.375 4.985 2.771 437 HE2 TYR 60 2HE TYR 60 10.227 6.734 5.060 438 HH TYR 60 HH TYR 60 11.468 5.757 1.891 439 H GLN 61 H GLN 61 15.535 6.756 5.339 440 HA GLN 61 HA GLN 61 14.943 9.364 6.564 441 HB2 GLN 61 1HB GLN 61 17.133 8.802 4.557 442 HB3 GLN 61 2HB GLN 61 16.702 10.387 5.186 443 HG2 GLN 61 1HG GLN 61 17.233 9.446 7.485 444 HG3 GLN 61 2HG GLN 61 17.975 8.091 6.634 445 HE21 GLN 61 1HE2 GLN 61 18.982 10.403 8.337 446 HE22 GLN 61 2HE2 GLN 61 20.294 11.050 7.417 447 H GLY 62 H GLY 62 14.874 7.296 3.744 448 HA2 GLY 62 1HA GLY 62 14.041 8.877 1.709 449 HA3 GLY 62 2HA GLY 62 13.357 7.284 1.999 450 H GLU 63 H GLU 63 11.863 9.261 0.800 451 HA GLU 63 HA GLU 63 9.832 9.750 2.864 452 HB2 GLU 63 1HB GLU 63 9.360 11.949 1.987 453 HB3 GLU 63 2HB GLU 63 11.064 11.854 2.409 454 HG2 GLU 63 1HG GLU 63 11.508 11.350 -0.024 455 HG3 GLU 63 2HG GLU 63 9.830 11.797 -0.327 456 H ILE 64 H ILE 64 7.858 9.082 2.309 457 HA ILE 64 HA ILE 64 7.447 8.114 -0.418 458 HB ILE 64 HB ILE 64 5.580 7.730 1.915 459 HG12 ILE 64 1HG1 ILE 64 7.523 5.615 1.096 460 HG13 ILE 64 2HG1 ILE 64 8.096 6.921 2.128 461 HG21 ILE 64 1HG2 ILE 64 5.089 5.620 0.540 462 HG22 ILE 64 2HG2 ILE 64 4.478 7.161 -0.060 463 HG23 ILE 64 3HG2 ILE 64 5.925 6.449 -0.773 464 HD11 ILE 64 1HD1 ILE 64 6.756 6.288 3.892 465 HD12 ILE 64 2HD1 ILE 64 5.628 5.412 2.856 466 HD13 ILE 64 3HD1 ILE 64 7.222 4.737 3.193 467 H LYS 65 H LYS 65 5.193 8.381 -1.314 468 HA LYS 65 HA LYS 65 4.240 11.122 -0.793 469 HB2 LYS 65 1HB LYS 65 4.377 9.554 -3.368 470 HB3 LYS 65 2HB LYS 65 3.430 11.026 -3.198 471 HG2 LYS 65 1HG LYS 65 5.601 12.130 -2.438 472 HG3 LYS 65 2HG LYS 65 6.407 10.692 -3.072 473 HD2 LYS 65 1HD LYS 65 5.083 11.159 -5.229 474 HD3 LYS 65 2HD LYS 65 4.811 12.764 -4.546 475 HE2 LYS 65 1HE LYS 65 6.722 13.113 -5.781 476 HE3 LYS 65 2HE LYS 65 7.398 12.738 -4.197 477 HZ1 LYS 65 1HZ LYS 65 7.144 10.886 -6.503 478 HZ2 LYS 65 2HZ LYS 65 7.651 10.417 -4.959 479 HZ3 LYS 65 3HZ LYS 65 8.577 11.512 -5.857 480 H GLN 66 H GLN 66 3.333 8.760 0.582 481 HA GLN 66 HA GLN 66 1.441 7.581 1.101 482 HB2 GLN 66 1HB GLN 66 0.297 10.249 0.269 483 HB3 GLN 66 2HB GLN 66 -0.631 9.001 1.091 484 HG2 GLN 66 1HG GLN 66 0.450 9.308 3.082 485 HG3 GLN 66 2HG GLN 66 1.915 9.923 2.317 486 HE21 GLN 66 1HE2 GLN 66 2.253 12.016 2.479 487 HE22 GLN 66 2HE2 GLN 66 1.055 13.222 2.787 488 H GLY 67 H GLY 67 2.379 7.434 -1.730 489 HA2 GLY 67 1HA GLY 67 1.564 6.875 -3.847 490 HA3 GLY 67 2HA GLY 67 0.800 5.630 -2.870 491 H HIS 68 H HIS 68 0.344 8.870 -4.206 492 HA HIS 68 HA HIS 68 -2.354 9.195 -3.548 493 HB2 HIS 68 1HB HIS 68 -0.962 10.236 -6.023 494 HB3 HIS 68 2HB HIS 68 -2.419 10.892 -5.282 495 HD1 HIS 68 1HD HIS 68 -1.810 11.430 -2.500 496 HD2 HIS 68 2HD HIS 68 1.124 11.823 -5.416 497 HE1 HIS 68 1HE HIS 68 -0.077 12.958 -1.509 498 HE2 HIS 68 2HE HIS 68 1.646 13.250 -3.323 499 H LYS 69 H LYS 69 -0.934 6.945 -5.592 500 HA LYS 69 HA LYS 69 -3.454 6.543 -7.065 501 HB2 LYS 69 1HB LYS 69 -0.594 5.987 -7.794 502 HB3 LYS 69 2HB LYS 69 -1.903 5.115 -8.579 503 HG2 LYS 69 1HG LYS 69 -1.437 6.895 -10.010 504 HG3 LYS 69 2HG LYS 69 -2.877 7.406 -9.126 505 HD2 LYS 69 1HD LYS 69 -1.626 8.860 -7.741 506 HD3 LYS 69 2HD LYS 69 -0.093 8.156 -8.263 507 HE2 LYS 69 1HE LYS 69 -1.971 9.601 -10.121 508 HE3 LYS 69 2HE LYS 69 -0.662 10.403 -9.254 509 HZ1 LYS 69 1HZ LYS 69 -0.432 9.272 -11.685 510 HZ2 LYS 69 2HZ LYS 69 0.146 8.035 -10.687 511 HZ3 LYS 69 3HZ LYS 69 0.862 9.567 -10.636 512 H GLN 70 H GLN 70 -3.640 4.118 -7.764 513 HA GLN 70 HA GLN 70 -4.032 2.610 -5.417 514 HB2 GLN 70 1HB GLN 70 -5.469 1.947 -7.080 515 HB3 GLN 70 2HB GLN 70 -4.251 2.091 -8.340 516 HG2 GLN 70 1HG GLN 70 -3.198 0.036 -7.582 517 HG3 GLN 70 2HG GLN 70 -4.381 -0.101 -6.282 518 HE21 GLN 70 1HE2 GLN 70 -3.812 -1.965 -8.421 519 HE22 GLN 70 2HE2 GLN 70 -5.286 -2.173 -9.296 520 H THR 71 H THR 71 -1.225 3.246 -7.113 521 HA THR 71 HA THR 71 0.090 0.875 -5.958 522 HB THR 71 HB THR 71 1.829 1.323 -7.852 523 HG1 THR 71 1HG THR 71 -0.399 2.148 -9.337 524 HG21 THR 71 1HG2 THR 71 -0.626 -0.235 -7.756 525 HG22 THR 71 2HG2 THR 71 0.987 -0.704 -8.292 526 HG23 THR 71 3HG2 THR 71 -0.111 0.110 -9.406 527 H LEU 72 H LEU 72 2.117 1.170 -5.023 528 HA LEU 72 HA LEU 72 2.986 3.964 -4.697 529 HB2 LEU 72 1HB LEU 72 1.873 3.244 -2.672 530 HB3 LEU 72 2HB LEU 72 2.883 1.802 -2.600 531 HG LEU 72 HG LEU 72 4.856 3.257 -2.231 532 HD11 LEU 72 1HD1 LEU 72 3.315 5.265 -3.212 533 HD12 LEU 72 2HD1 LEU 72 4.788 5.497 -2.270 534 HD13 LEU 72 3HD1 LEU 72 3.214 5.567 -1.477 535 HD21 LEU 72 1HD2 LEU 72 2.924 2.455 -0.440 536 HD22 LEU 72 2HD2 LEU 72 3.147 4.162 -0.056 537 HD23 LEU 72 3HD2 LEU 72 4.528 3.063 -0.033 538 H ASN 73 H ASN 73 4.984 4.283 -5.397 539 HA ASN 73 HA ASN 73 6.814 1.982 -5.525 540 HB2 ASN 73 1HB ASN 73 6.342 4.312 -7.305 541 HB3 ASN 73 2HB ASN 73 8.009 3.770 -7.138 542 HD21 ASN 73 1HD2 ASN 73 4.796 2.300 -7.504 543 HD22 ASN 73 2HD2 ASN 73 5.265 1.176 -8.729 544 H LEU 74 H LEU 74 8.834 2.105 -4.644 545 HA LEU 74 HA LEU 74 9.487 4.575 -3.176 546 HB2 LEU 74 1HB LEU 74 9.506 1.732 -2.336 547 HB3 LEU 74 2HB LEU 74 10.805 2.762 -1.736 548 HG LEU 74 HG LEU 74 8.948 4.319 -0.916 549 HD11 LEU 74 1HD1 LEU 74 7.390 2.160 -2.073 550 HD12 LEU 74 2HD1 LEU 74 6.891 3.775 -1.570 551 HD13 LEU 74 3HD1 LEU 74 6.972 2.470 -0.387 552 HD21 LEU 74 1HD2 LEU 74 10.252 3.098 0.651 553 HD22 LEU 74 2HD2 LEU 74 9.427 1.589 0.260 554 HD23 LEU 74 3HD2 LEU 74 8.562 2.875 1.103 555 H SER 75 H SER 75 11.835 4.806 -2.693 556 HA SER 75 HA SER 75 13.626 3.425 -4.527 557 HB2 SER 75 1HB SER 75 14.524 5.518 -5.452 558 HB3 SER 75 2HB SER 75 12.812 5.343 -5.836 559 HG SER 75 HG SER 75 12.316 6.913 -4.428 560 H GLN 76 H GLN 76 15.942 4.359 -4.204 561 HA GLN 76 HA GLN 76 17.659 4.180 -2.666 562 HB2 GLN 76 1HB GLN 76 16.179 6.724 -2.048 563 HB3 GLN 76 2HB GLN 76 17.659 6.302 -1.197 564 HG2 GLN 76 1HG GLN 76 18.898 6.283 -3.258 565 HG3 GLN 76 2HG GLN 76 17.423 6.549 -4.186 566 HE21 GLN 76 1HE2 GLN 76 16.151 8.534 -3.166 567 HE22 GLN 76 2HE2 GLN 76 17.110 9.963 -3.021 568 H LEU 77 H LEU 77 15.488 2.552 -1.864 569 HA LEU 77 HA LEU 77 14.825 2.983 0.869 570 HB2 LEU 77 1HB LEU 77 14.548 0.726 -1.059 571 HB3 LEU 77 2HB LEU 77 14.311 0.416 0.659 572 HG LEU 77 HG LEU 77 12.785 2.601 -0.707 573 HD11 LEU 77 1HD1 LEU 77 12.278 0.810 -2.137 574 HD12 LEU 77 2HD1 LEU 77 10.958 0.852 -0.969 575 HD13 LEU 77 3HD1 LEU 77 12.238 -0.350 -0.810 576 HD21 LEU 77 1HD2 LEU 77 12.097 2.801 1.406 577 HD22 LEU 77 2HD2 LEU 77 12.795 1.249 1.871 578 HD23 LEU 77 3HD2 LEU 77 11.194 1.311 1.131 579 H SER 78 H SER 78 15.958 2.552 2.645 580 HA SER 78 HA SER 78 18.583 1.363 2.403 581 HB2 SER 78 1HB SER 78 17.772 3.388 3.909 582 HB3 SER 78 2HB SER 78 17.410 2.095 5.053 583 HG SER 78 HG SER 78 19.452 2.080 5.493 584 H VAL 79 H VAL 79 19.308 -0.289 3.985 585 HA VAL 79 HA VAL 79 17.695 -2.604 3.815 586 HB VAL 79 HB VAL 79 20.141 -2.087 5.512 587 HG11 VAL 79 1HG1 VAL 79 18.359 -4.146 5.816 588 HG12 VAL 79 2HG1 VAL 79 19.564 -4.839 4.728 589 HG13 VAL 79 3HG1 VAL 79 20.057 -4.182 6.289 590 HG21 VAL 79 1HG2 VAL 79 20.054 -2.070 2.833 591 HG22 VAL 79 2HG2 VAL 79 21.434 -2.678 3.747 592 HG23 VAL 79 3HG2 VAL 79 20.236 -3.802 3.107 593 H GLY 80 H GLY 80 15.760 -2.519 4.852 594 HA2 GLY 80 1HA GLY 80 15.661 -3.000 7.622 595 HA3 GLY 80 2HA GLY 80 15.261 -1.313 7.334 596 H LEU 81 H LEU 81 13.310 -2.547 8.486 597 HA LEU 81 HA LEU 81 11.528 -3.730 6.501 598 HB2 LEU 81 1HB LEU 81 11.809 -4.722 8.776 599 HB3 LEU 81 2HB LEU 81 11.046 -3.279 9.441 600 HG LEU 81 HG LEU 81 9.001 -3.839 8.129 601 HD11 LEU 81 1HD1 LEU 81 9.448 -6.603 7.748 602 HD12 LEU 81 2HD1 LEU 81 10.763 -5.739 6.951 603 HD13 LEU 81 3HD1 LEU 81 9.088 -5.373 6.535 604 HD21 LEU 81 1HD2 LEU 81 9.035 -4.401 10.442 605 HD22 LEU 81 2HD2 LEU 81 10.036 -5.823 10.146 606 HD23 LEU 81 3HD2 LEU 81 8.367 -5.785 9.576 607 H TYR 82 H TYR 82 9.633 -2.819 5.817 608 HA TYR 82 HA TYR 82 8.868 -0.207 6.894 609 HB2 TYR 82 1HB TYR 82 9.168 -0.706 3.928 610 HB3 TYR 82 2HB TYR 82 8.728 0.808 4.710 611 HD1 TYR 82 2HD TYR 82 10.457 1.960 6.163 612 HD2 TYR 82 1HD TYR 82 11.424 -1.265 3.560 613 HE1 TYR 82 2HE TYR 82 12.827 2.610 6.248 614 HE2 TYR 82 1HE TYR 82 13.797 -0.624 3.639 615 HH TYR 82 HH TYR 82 15.286 0.704 5.436 616 H VAL 83 H VAL 83 6.855 -0.543 7.568 617 HA VAL 83 HA VAL 83 5.076 -2.258 5.985 618 HB VAL 83 HB VAL 83 4.746 -1.220 8.804 619 HG11 VAL 83 1HG1 VAL 83 3.047 -3.375 8.419 620 HG12 VAL 83 2HG1 VAL 83 2.584 -1.675 8.506 621 HG13 VAL 83 3HG1 VAL 83 2.885 -2.429 6.940 622 HG21 VAL 83 1HG2 VAL 83 5.384 -3.327 9.583 623 HG22 VAL 83 2HG2 VAL 83 5.184 -4.077 7.999 624 HG23 VAL 83 3HG2 VAL 83 6.539 -2.988 8.294 625 H PHE 84 H PHE 84 4.102 -1.078 4.445 626 HA PHE 84 HA PHE 84 3.129 1.604 5.080 627 HB2 PHE 84 1HB PHE 84 2.875 0.293 2.389 628 HB3 PHE 84 2HB PHE 84 3.007 2.005 2.777 629 HD1 PHE 84 2HD PHE 84 5.224 2.875 3.628 630 HD2 PHE 84 1HD PHE 84 4.765 -0.971 1.863 631 HE1 PHE 84 2HE PHE 84 7.646 2.784 3.203 632 HE2 PHE 84 1HE PHE 84 7.186 -1.068 1.436 633 HZ PHE 84 HZ PHE 84 8.630 0.811 2.105 634 H LYS 85 H LYS 85 1.029 2.109 5.307 635 HA LYS 85 HA LYS 85 -0.930 -0.060 4.939 636 HB2 LYS 85 1HB LYS 85 -0.914 0.425 7.231 637 HB3 LYS 85 2HB LYS 85 -0.734 2.153 6.960 638 HG2 LYS 85 1HG LYS 85 -3.029 2.259 6.123 639 HG3 LYS 85 2HG LYS 85 -3.209 0.527 6.408 640 HD2 LYS 85 1HD LYS 85 -4.139 1.388 8.328 641 HD3 LYS 85 2HD LYS 85 -2.466 1.158 8.840 642 HE2 LYS 85 1HE LYS 85 -2.792 3.299 9.558 643 HE3 LYS 85 2HE LYS 85 -2.221 3.623 7.922 644 HZ1 LYS 85 1HZ LYS 85 -4.896 3.926 9.051 645 HZ2 LYS 85 2HZ LYS 85 -4.793 3.439 7.435 646 HZ3 LYS 85 3HZ LYS 85 -4.082 4.893 7.926 647 H VAL 86 H VAL 86 -2.252 0.210 3.278 648 HA VAL 86 HA VAL 86 -2.641 2.874 2.150 649 HB VAL 86 HB VAL 86 -2.158 1.370 0.440 650 HG11 VAL 86 1HG1 VAL 86 -3.809 -0.548 2.018 651 HG12 VAL 86 2HG1 VAL 86 -3.605 -0.808 0.284 652 HG13 VAL 86 3HG1 VAL 86 -2.193 -0.745 1.339 653 HG21 VAL 86 1HG2 VAL 86 -4.489 2.663 0.366 654 HG22 VAL 86 2HG2 VAL 86 -3.930 1.640 -0.957 655 HG23 VAL 86 3HG2 VAL 86 -5.090 1.012 0.213 656 H THR 87 H THR 87 -4.157 3.973 3.266 657 HA THR 87 HA THR 87 -6.558 2.667 4.221 658 HB THR 87 HB THR 87 -6.083 5.636 4.278 659 HG1 THR 87 1HG THR 87 -4.881 5.353 6.147 660 HG21 THR 87 1HG2 THR 87 -7.206 4.344 6.625 661 HG22 THR 87 2HG2 THR 87 -8.150 4.020 5.171 662 HG23 THR 87 3HG2 THR 87 -7.835 5.683 5.666 663 H VAL 88 H VAL 88 -8.053 2.196 2.731 664 HA VAL 88 HA VAL 88 -8.769 4.291 0.783 665 HB VAL 88 HB VAL 88 -8.997 1.296 0.451 666 HG11 VAL 88 1HG1 VAL 88 -10.832 2.228 -0.691 667 HG12 VAL 88 2HG1 VAL 88 -9.876 3.590 -1.282 668 HG13 VAL 88 3HG1 VAL 88 -9.598 1.970 -1.925 669 HG21 VAL 88 1HG2 VAL 88 -7.140 1.337 -0.874 670 HG22 VAL 88 2HG2 VAL 88 -7.382 3.017 -1.354 671 HG23 VAL 88 3HG2 VAL 88 -6.724 2.641 0.238 672 H SER 89 H SER 89 -10.623 5.224 1.323 673 HA SER 89 HA SER 89 -12.831 3.523 2.260 674 HB2 SER 89 1HB SER 89 -13.526 5.372 3.786 675 HB3 SER 89 2HB SER 89 -11.977 4.654 4.226 676 HG SER 89 HG SER 89 -11.194 6.503 2.740 677 H SER 90 H SER 90 -14.956 4.369 1.832 678 HA SER 90 HA SER 90 -14.988 6.270 -0.421 679 HB2 SER 90 1HB SER 90 -15.656 3.725 -0.710 680 HB3 SER 90 2HB SER 90 -17.190 4.283 -0.042 681 HG SER 90 HG SER 90 -15.990 5.694 -2.154 682 H GLU 91 H GLU 91 -17.544 6.899 -0.686 683 HA GLU 91 HA GLU 91 -18.043 8.774 1.307 684 HB2 GLU 91 1HB GLU 91 -20.310 8.962 0.307 685 HB3 GLU 91 2HB GLU 91 -19.018 9.015 -0.884 686 HG2 GLU 91 1HG GLU 91 -19.486 6.436 -1.032 687 HG3 GLU 91 2HG GLU 91 -21.057 6.912 -0.389 688 H ASN 92 H ASN 92 -19.573 5.604 0.795 689 HA ASN 92 HA ASN 92 -20.518 5.716 3.585 690 HB2 ASN 92 1HB ASN 92 -22.231 3.961 2.663 691 HB3 ASN 92 2HB ASN 92 -22.505 5.679 2.390 692 HD21 ASN 92 1HD2 ASN 92 -23.463 5.814 0.484 693 HD22 ASN 92 2HD2 ASN 92 -22.897 5.091 -0.980 694 H ALA 93 H ALA 93 -17.950 4.805 2.901 695 HA ALA 93 HA ALA 93 -18.034 2.183 4.065 696 HB1 ALA 93 1HB ALA 93 -18.203 2.198 1.334 697 HB2 ALA 93 2HB ALA 93 -16.470 2.016 1.605 698 HB3 ALA 93 3HB ALA 93 -17.599 0.862 2.314 699 H PHE 94 H PHE 94 -15.752 1.282 4.280 700 HA PHE 94 HA PHE 94 -13.582 3.155 4.075 701 HB2 PHE 94 1HB PHE 94 -14.783 3.913 6.137 702 HB3 PHE 94 2HB PHE 94 -14.474 2.331 6.844 703 HD1 PHE 94 2HD PHE 94 -12.142 1.632 7.322 704 HD2 PHE 94 1HD PHE 94 -13.114 5.584 6.075 705 HE1 PHE 94 2HE PHE 94 -9.959 2.421 8.135 706 HE2 PHE 94 1HE PHE 94 -10.931 6.380 6.886 707 HZ PHE 94 HZ PHE 94 -9.351 4.798 7.918 708 H GLY 95 H GLY 95 -11.614 2.154 4.120 709 HA2 GLY 95 1HA GLY 95 -11.351 -0.524 5.210 710 HA3 GLY 95 2HA GLY 95 -11.233 -0.417 3.460 711 H GLU 96 H GLU 96 -9.170 -1.334 5.173 712 HA GLU 96 HA GLU 96 -7.076 0.518 4.375 713 HB2 GLU 96 1HB GLU 96 -7.263 -0.439 7.235 714 HB3 GLU 96 2HB GLU 96 -6.044 0.630 6.556 715 HG2 GLU 96 1HG GLU 96 -7.725 2.341 6.179 716 HG3 GLU 96 2HG GLU 96 -8.975 1.268 6.806 717 H GLY 97 H GLY 97 -5.079 -0.455 4.060 718 HA2 GLY 97 1HA GLY 97 -5.089 -3.399 4.314 719 HA3 GLY 97 2HA GLY 97 -4.326 -2.538 2.985 720 H PHE 98 H PHE 98 -2.723 -4.255 4.099 721 HA PHE 98 HA PHE 98 -0.785 -2.592 5.484 722 HB2 PHE 98 1HB PHE 98 -1.930 -5.120 6.669 723 HB3 PHE 98 2HB PHE 98 -0.383 -4.450 7.174 724 HD1 PHE 98 2HD PHE 98 -4.010 -4.003 7.205 725 HD2 PHE 98 1HD PHE 98 -0.267 -2.418 8.467 726 HE1 PHE 98 2HE PHE 98 -5.175 -2.524 8.790 727 HE2 PHE 98 1HE PHE 98 -1.425 -0.938 10.055 728 HZ PHE 98 HZ PHE 98 -3.882 -0.989 10.217 729 H VAL 99 H VAL 99 1.083 -2.855 4.474 730 HA VAL 99 HA VAL 99 1.886 -5.527 3.591 731 HB VAL 99 HB VAL 99 0.812 -4.235 1.672 732 HG11 VAL 99 1HG1 VAL 99 3.418 -2.746 1.597 733 HG12 VAL 99 2HG1 VAL 99 1.951 -2.454 0.660 734 HG13 VAL 99 3HG1 VAL 99 1.988 -2.081 2.384 735 HG21 VAL 99 1HG2 VAL 99 2.703 -4.859 0.098 736 HG22 VAL 99 2HG2 VAL 99 3.614 -5.322 1.535 737 HG23 VAL 99 3HG2 VAL 99 2.101 -6.142 1.148 738 H ASN 100 H ASN 100 3.980 -5.945 3.967 739 HA ASN 100 HA ASN 100 5.698 -3.686 4.757 740 HB2 ASN 100 1HB ASN 100 6.767 -5.059 6.343 741 HB3 ASN 100 2HB ASN 100 5.059 -5.462 6.502 742 HD21 ASN 100 1HD2 ASN 100 7.000 -7.153 7.421 743 HD22 ASN 100 2HD2 ASN 100 7.036 -8.580 6.448 744 H VAL 101 H VAL 101 7.907 -3.738 4.153 745 HA VAL 101 HA VAL 101 8.632 -5.674 2.069 746 HB VAL 101 HB VAL 101 8.980 -2.683 1.814 747 HG11 VAL 101 1HG1 VAL 101 10.051 -4.997 0.261 748 HG12 VAL 101 2HG1 VAL 101 9.695 -3.479 -0.565 749 HG13 VAL 101 3HG1 VAL 101 10.857 -3.511 0.762 750 HG21 VAL 101 1HG2 VAL 101 7.072 -4.643 0.623 751 HG22 VAL 101 2HG2 VAL 101 6.778 -3.012 1.226 752 HG23 VAL 101 3HG2 VAL 101 7.583 -3.247 -0.325 753 H THR 102 H THR 102 10.652 -6.429 2.245 754 HA THR 102 HA THR 102 12.421 -5.139 4.213 755 HB THR 102 HB THR 102 12.461 -8.006 3.248 756 HG1 THR 102 1HG THR 102 11.835 -7.222 5.879 757 HG21 THR 102 1HG2 THR 102 14.313 -6.384 4.835 758 HG22 THR 102 2HG2 THR 102 14.575 -7.919 4.007 759 HG23 THR 102 3HG2 THR 102 13.842 -7.895 5.611 760 H VAL 103 H VAL 103 14.486 -4.589 3.686 761 HA VAL 103 HA VAL 103 15.290 -5.012 0.880 762 HB VAL 103 HB VAL 103 15.869 -2.651 2.672 763 HG11 VAL 103 1HG1 VAL 103 16.887 -3.313 -0.086 764 HG12 VAL 103 2HG1 VAL 103 16.996 -1.712 0.649 765 HG13 VAL 103 3HG1 VAL 103 17.836 -3.080 1.381 766 HG21 VAL 103 1HG2 VAL 103 13.903 -3.210 0.571 767 HG22 VAL 103 2HG2 VAL 103 13.874 -2.011 1.863 768 HG23 VAL 103 3HG2 VAL 103 14.766 -1.685 0.377 769 H LYS 104 H LYS 104 16.753 -6.604 0.897 770 HA LYS 104 HA LYS 104 18.569 -7.006 3.089 771 HB2 LYS 104 1HB LYS 104 18.558 -8.308 0.360 772 HB3 LYS 104 2HB LYS 104 19.421 -8.876 1.783 773 HG2 LYS 104 1HG LYS 104 16.444 -8.573 1.810 774 HG3 LYS 104 2HG LYS 104 17.211 -10.015 1.141 775 HD2 LYS 104 1HD LYS 104 18.497 -10.096 3.376 776 HD3 LYS 104 2HD LYS 104 17.250 -8.990 3.960 777 HE2 LYS 104 1HE LYS 104 16.287 -10.982 4.518 778 HE3 LYS 104 2HE LYS 104 15.648 -10.795 2.886 779 HZ1 LYS 104 1HZ LYS 104 17.444 -12.772 3.925 780 HZ2 LYS 104 2HZ LYS 104 18.022 -12.058 2.505 781 HZ3 LYS 104 3HZ LYS 104 16.503 -12.802 2.519 782 HA PRO 105 HA PRO 105 21.960 -4.561 1.738 783 HB2 PRO 105 1HB PRO 105 24.037 -6.007 2.720 784 HB3 PRO 105 2HB PRO 105 22.953 -5.063 3.748 785 HG2 PRO 105 1HG PRO 105 22.936 -8.000 3.173 786 HG3 PRO 105 2HG PRO 105 22.705 -7.161 4.718 787 HD2 PRO 105 1HD PRO 105 20.637 -8.128 3.263 788 HD3 PRO 105 2HD PRO 105 20.499 -6.670 4.266 789 H ALA 106 H ALA 106 23.868 -4.562 0.376 790 HA ALA 106 HA ALA 106 23.589 -6.384 -1.847 791 HB1 ALA 106 1HB ALA 106 25.806 -4.404 -1.708 792 HB2 ALA 106 2HB ALA 106 24.798 -4.881 -3.075 793 HB3 ALA 106 3HB ALA 106 24.149 -3.811 -1.832 794 H ARG 107 H ARG 107 24.560 -8.294 -1.892 795 HA ARG 107 HA ARG 107 27.174 -8.575 -0.559 796 HB2 ARG 107 1HB ARG 107 26.637 -10.908 -0.150 797 HB3 ARG 107 2HB ARG 107 25.381 -9.879 0.525 798 HG2 ARG 107 1HG ARG 107 23.920 -10.369 -1.328 799 HG3 ARG 107 2HG ARG 107 25.192 -11.299 -2.123 800 HD2 ARG 107 1HD ARG 107 24.377 -12.051 0.642 801 HD3 ARG 107 2HD ARG 107 23.317 -12.481 -0.700 802 HE ARG 107 HE ARG 107 25.786 -13.716 -0.014 803 HH11 ARG 107 2HH1 ARG 107 23.759 -12.854 -2.710 804 HH12 ARG 107 1HH1 ARG 107 24.358 -14.118 -3.732 805 HH21 ARG 107 2HH2 ARG 107 26.582 -15.384 -1.350 806 HH22 ARG 107 1HH2 ARG 107 25.963 -15.557 -2.957 807 H SER 108 H SER 108 28.853 -9.270 -1.741 808 HA SER 108 HA SER 108 28.310 -10.364 -4.420 809 HB2 SER 108 1HB SER 108 30.305 -8.233 -3.643 810 HB3 SER 108 2HB SER 108 30.403 -9.124 -5.162 811 HG SER 108 HG SER 108 28.564 -7.200 -4.334 812 H GLY 109 H GLY 109 30.832 -9.931 -1.939 813 HA2 GLY 109 1HA GLY 109 31.432 -12.582 -1.532 814 HA3 GLY 109 2HA GLY 109 32.414 -12.108 -2.910 815 HA PRO 110 HA PRO 110 35.497 -10.560 -0.211 816 HB2 PRO 110 1HB PRO 110 36.503 -8.497 -1.661 817 HB3 PRO 110 2HB PRO 110 36.786 -10.191 -2.077 818 HG2 PRO 110 1HG PRO 110 34.804 -8.265 -3.226 819 HG3 PRO 110 2HG PRO 110 35.836 -9.440 -4.062 820 HD2 PRO 110 1HD PRO 110 33.218 -9.903 -3.553 821 HD3 PRO 110 2HD PRO 110 34.428 -11.202 -3.590 822 H SER 111 H SER 111 35.897 -8.998 1.336 823 HA SER 111 HA SER 111 34.515 -6.459 1.266 824 HB2 SER 111 1HB SER 111 33.766 -8.640 3.205 825 HB3 SER 111 2HB SER 111 33.518 -6.937 3.593 826 HG SER 111 HG SER 111 32.339 -6.855 1.531 827 H SER 112 H SER 112 35.480 -4.924 2.529 828 HA SER 112 HA SER 112 37.737 -5.816 4.201 829 HB2 SER 112 1HB SER 112 37.601 -3.559 2.208 830 HB3 SER 112 2HB SER 112 38.797 -3.575 3.504 831 HG SER 112 HG SER 112 38.488 -5.831 1.858 832 H GLY 113 H GLY 113 37.290 -5.398 6.258 833 HA2 GLY 113 1HA GLY 113 35.939 -2.846 6.892 834 HA3 GLY 113 2HA GLY 113 35.575 -4.340 7.744 Start of MODEL 4 1 H1 GLY 1 H GLY 1 -29.278 21.757 -7.935 2 HA2 GLY 1 1HA GLY 1 -31.023 21.174 -6.554 3 HA3 GLY 1 2HA GLY 1 -30.405 19.542 -6.758 4 H SER 2 H SER 2 -31.516 19.665 -4.495 5 HA SER 2 HA SER 2 -29.466 20.389 -2.505 6 HB2 SER 2 1HB SER 2 -32.465 20.440 -2.402 7 HB3 SER 2 2HB SER 2 -31.539 20.251 -0.913 8 HG SER 2 HG SER 2 -30.779 22.284 -2.666 9 H SER 3 H SER 3 -28.634 18.832 -1.255 10 HA SER 3 HA SER 3 -29.560 16.099 -1.686 11 HB2 SER 3 1HB SER 3 -27.036 17.340 -0.665 12 HB3 SER 3 2HB SER 3 -27.416 15.682 -0.201 13 HG SER 3 HG SER 3 -26.681 16.714 -2.657 14 H GLY 4 H GLY 4 -30.061 14.668 0.010 15 HA2 GLY 4 1HA GLY 4 -30.066 15.368 2.742 16 HA3 GLY 4 2HA GLY 4 -31.649 15.712 2.062 17 H SER 5 H SER 5 -29.260 13.159 2.560 18 HA SER 5 HA SER 5 -31.052 11.055 1.807 19 HB2 SER 5 1HB SER 5 -28.429 10.955 3.317 20 HB3 SER 5 2HB SER 5 -29.287 9.554 2.675 21 HG SER 5 HG SER 5 -29.036 10.486 0.584 22 H SER 6 H SER 6 -31.014 9.135 3.607 23 HA SER 6 HA SER 6 -32.814 10.074 5.627 24 HB2 SER 6 1HB SER 6 -32.946 7.703 6.296 25 HB3 SER 6 2HB SER 6 -33.150 7.894 4.555 26 HG SER 6 HG SER 6 -30.584 7.429 5.583 27 H GLY 7 H GLY 7 -29.599 10.339 5.479 28 HA2 GLY 7 1HA GLY 7 -28.099 10.978 7.123 29 HA3 GLY 7 2HA GLY 7 -29.340 10.665 8.327 30 HA PRO 8 HA PRO 8 -26.990 6.512 7.363 31 HB2 PRO 8 1HB PRO 8 -24.495 6.854 6.350 32 HB3 PRO 8 2HB PRO 8 -25.924 6.641 5.332 33 HG2 PRO 8 1HG PRO 8 -24.498 9.161 6.093 34 HG3 PRO 8 2HG PRO 8 -25.142 8.673 4.514 35 HD2 PRO 8 1HD PRO 8 -26.447 10.390 6.152 36 HD3 PRO 8 2HD PRO 8 -27.298 9.271 5.068 37 H ARG 9 H ARG 9 -25.422 5.469 8.691 38 HA ARG 9 HA ARG 9 -23.913 7.234 10.493 39 HB2 ARG 9 1HB ARG 9 -24.578 5.856 12.413 40 HB3 ARG 9 2HB ARG 9 -25.970 6.609 11.648 41 HG2 ARG 9 1HG ARG 9 -26.592 4.550 10.601 42 HG3 ARG 9 2HG ARG 9 -25.102 3.773 11.142 43 HD2 ARG 9 1HD ARG 9 -25.790 3.859 13.418 44 HD3 ARG 9 2HD ARG 9 -27.151 4.910 13.031 45 HE ARG 9 HE ARG 9 -27.279 2.398 11.670 46 HH11 ARG 9 2HH1 ARG 9 -27.935 4.016 14.682 47 HH12 ARG 9 1HH1 ARG 9 -29.176 2.905 15.158 48 HH21 ARG 9 2HH2 ARG 9 -28.912 0.929 12.286 49 HH22 ARG 9 1HH2 ARG 9 -29.731 1.149 13.795 50 H THR 10 H THR 10 -24.399 3.961 9.247 51 HA THR 10 HA THR 10 -21.654 3.267 10.020 52 HB THR 10 HB THR 10 -22.357 0.931 9.295 53 HG1 THR 10 1HG THR 10 -24.368 0.619 8.664 54 HG21 THR 10 1HG2 THR 10 -22.487 0.734 11.513 55 HG22 THR 10 2HG2 THR 10 -24.194 1.161 11.402 56 HG23 THR 10 3HG2 THR 10 -22.988 2.416 11.679 57 H VAL 11 H VAL 11 -20.265 2.206 8.483 58 HA VAL 11 HA VAL 11 -20.794 3.068 5.715 59 HB VAL 11 HB VAL 11 -18.359 3.085 5.385 60 HG11 VAL 11 1HG1 VAL 11 -18.758 5.232 5.862 61 HG12 VAL 11 2HG1 VAL 11 -19.805 4.827 7.223 62 HG13 VAL 11 3HG1 VAL 11 -18.055 4.879 7.439 63 HG21 VAL 11 1HG2 VAL 11 -18.376 2.116 8.211 64 HG22 VAL 11 2HG2 VAL 11 -17.433 1.543 6.835 65 HG23 VAL 11 3HG2 VAL 11 -17.016 3.068 7.616 66 H LYS 12 H LYS 12 -19.636 1.717 4.046 67 HA LYS 12 HA LYS 12 -20.446 -1.006 4.345 68 HB2 LYS 12 1HB LYS 12 -19.266 0.658 2.180 69 HB3 LYS 12 2HB LYS 12 -19.072 -1.086 2.055 70 HG2 LYS 12 1HG LYS 12 -21.426 -1.426 2.035 71 HG3 LYS 12 2HG LYS 12 -21.732 0.262 2.448 72 HD2 LYS 12 1HD LYS 12 -20.252 -0.492 -0.052 73 HD3 LYS 12 2HD LYS 12 -22.016 -0.462 -0.004 74 HE2 LYS 12 1HE LYS 12 -21.906 1.889 0.772 75 HE3 LYS 12 2HE LYS 12 -20.154 1.836 0.588 76 HZ1 LYS 12 1HZ LYS 12 -20.333 2.184 -1.583 77 HZ2 LYS 12 2HZ LYS 12 -21.972 2.526 -1.338 78 HZ3 LYS 12 3HZ LYS 12 -21.490 0.964 -1.774 79 H GLU 13 H GLU 13 -18.949 -2.830 3.755 80 HA GLU 13 HA GLU 13 -16.387 -2.465 5.158 81 HB2 GLU 13 1HB GLU 13 -16.499 -4.969 5.472 82 HB3 GLU 13 2HB GLU 13 -17.716 -4.041 6.338 83 HG2 GLU 13 1HG GLU 13 -19.360 -4.582 4.619 84 HG3 GLU 13 2HG GLU 13 -18.141 -5.505 3.742 85 H LEU 14 H LEU 14 -14.850 -2.107 3.677 86 HA LEU 14 HA LEU 14 -14.849 -3.708 1.216 87 HB2 LEU 14 1HB LEU 14 -13.078 -1.356 1.807 88 HB3 LEU 14 2HB LEU 14 -13.467 -2.065 0.241 89 HG LEU 14 HG LEU 14 -15.507 -0.657 1.951 90 HD11 LEU 14 1HD1 LEU 14 -14.513 0.757 -0.402 91 HD12 LEU 14 2HD1 LEU 14 -13.315 0.581 0.881 92 HD13 LEU 14 3HD1 LEU 14 -14.864 1.354 1.220 93 HD21 LEU 14 1HD2 LEU 14 -15.746 -0.714 -0.968 94 HD22 LEU 14 2HD2 LEU 14 -16.956 -1.019 0.279 95 HD23 LEU 14 3HD2 LEU 14 -15.839 -2.298 -0.198 96 H THR 15 H THR 15 -13.382 -5.253 0.889 97 HA THR 15 HA THR 15 -11.429 -5.788 2.968 98 HB THR 15 HB THR 15 -12.033 -7.380 0.468 99 HG1 THR 15 1HG THR 15 -13.790 -7.849 1.555 100 HG21 THR 15 1HG2 THR 15 -10.428 -7.979 2.948 101 HG22 THR 15 2HG2 THR 15 -9.882 -7.994 1.271 102 HG23 THR 15 3HG2 THR 15 -10.999 -9.231 1.847 103 H VAL 16 H VAL 16 -9.772 -4.335 2.758 104 HA VAL 16 HA VAL 16 -8.481 -4.027 0.154 105 HB VAL 16 HB VAL 16 -7.969 -2.606 2.771 106 HG11 VAL 16 1HG1 VAL 16 -6.963 -1.419 0.290 107 HG12 VAL 16 2HG1 VAL 16 -6.194 -1.573 1.871 108 HG13 VAL 16 3HG1 VAL 16 -6.174 -2.930 0.743 109 HG21 VAL 16 1HG2 VAL 16 -9.944 -2.238 0.747 110 HG22 VAL 16 2HG2 VAL 16 -9.678 -1.300 2.217 111 HG23 VAL 16 3HG2 VAL 16 -8.843 -0.860 0.727 112 H SER 17 H SER 17 -6.644 -5.019 -0.377 113 HA SER 17 HA SER 17 -4.799 -5.925 1.680 114 HB2 SER 17 1HB SER 17 -6.584 -7.750 1.109 115 HB3 SER 17 2HB SER 17 -5.643 -7.951 -0.369 116 HG SER 17 HG SER 17 -4.264 -7.900 2.056 117 H ALA 18 H ALA 18 -2.811 -5.440 1.050 118 HA ALA 18 HA ALA 18 -2.252 -4.513 -1.585 119 HB1 ALA 18 1HB ALA 18 -0.846 -4.670 0.970 120 HB2 ALA 18 2HB ALA 18 0.203 -4.877 -0.434 121 HB3 ALA 18 3HB ALA 18 -0.793 -3.429 -0.283 122 H GLY 19 H GLY 19 -1.585 -7.499 0.177 123 HA2 GLY 19 1HA GLY 19 -1.672 -9.363 -1.680 124 HA3 GLY 19 2HA GLY 19 -0.160 -8.591 -2.134 125 H ASP 20 H ASP 20 1.531 -8.483 -0.452 126 HA ASP 20 HA ASP 20 1.427 -10.016 1.902 127 HB2 ASP 20 1HB ASP 20 1.335 -11.765 -0.057 128 HB3 ASP 20 2HB ASP 20 3.066 -11.449 -0.153 129 H ASN 21 H ASN 21 3.862 -10.701 2.491 130 HA ASN 21 HA ASN 21 5.306 -8.249 2.556 131 HB2 ASN 21 1HB ASN 21 7.032 -9.573 3.759 132 HB3 ASN 21 2HB ASN 21 5.420 -9.774 4.438 133 HD21 ASN 21 1HD2 ASN 21 8.055 -11.289 2.831 134 HD22 ASN 21 2HD2 ASN 21 7.444 -12.905 2.889 135 H LEU 22 H LEU 22 6.850 -7.506 1.246 136 HA LEU 22 HA LEU 22 7.907 -9.330 -0.811 137 HB2 LEU 22 1HB LEU 22 7.778 -6.330 -0.986 138 HB3 LEU 22 2HB LEU 22 8.118 -7.475 -2.282 139 HG LEU 22 HG LEU 22 5.959 -6.838 -2.761 140 HD11 LEU 22 1HD1 LEU 22 5.091 -8.987 -0.914 141 HD12 LEU 22 2HD1 LEU 22 6.321 -9.388 -2.112 142 HD13 LEU 22 3HD1 LEU 22 4.757 -8.760 -2.631 143 HD21 LEU 22 1HD2 LEU 22 5.596 -5.442 -0.812 144 HD22 LEU 22 2HD2 LEU 22 5.371 -6.871 0.198 145 HD23 LEU 22 3HD2 LEU 22 4.205 -6.495 -1.072 146 H ILE 23 H ILE 23 10.073 -9.502 -1.108 147 HA ILE 23 HA ILE 23 11.801 -7.840 0.608 148 HB ILE 23 HB ILE 23 12.254 -10.748 -0.072 149 HG12 ILE 23 1HG1 ILE 23 11.365 -9.457 2.517 150 HG13 ILE 23 2HG1 ILE 23 10.382 -10.488 1.483 151 HG21 ILE 23 1HG2 ILE 23 14.239 -9.167 0.308 152 HG22 ILE 23 2HG2 ILE 23 13.717 -9.139 1.992 153 HG23 ILE 23 3HG2 ILE 23 14.184 -10.664 1.239 154 HD11 ILE 23 1HD1 ILE 23 11.182 -11.715 3.403 155 HD12 ILE 23 2HD1 ILE 23 11.904 -12.354 1.926 156 HD13 ILE 23 3HD1 ILE 23 12.850 -11.315 2.992 157 H ILE 24 H ILE 24 13.404 -6.807 -0.397 158 HA ILE 24 HA ILE 24 14.068 -7.627 -3.150 159 HB ILE 24 HB ILE 24 14.909 -5.100 -3.167 160 HG12 ILE 24 1HG1 ILE 24 12.582 -5.092 -1.232 161 HG13 ILE 24 2HG1 ILE 24 14.244 -4.662 -0.845 162 HG21 ILE 24 1HG2 ILE 24 13.139 -4.656 -4.557 163 HG22 ILE 24 2HG2 ILE 24 13.077 -6.417 -4.505 164 HG23 ILE 24 3HG2 ILE 24 11.973 -5.466 -3.511 165 HD11 ILE 24 1HD1 ILE 24 12.498 -3.203 -2.813 166 HD12 ILE 24 2HD1 ILE 24 12.796 -2.707 -1.147 167 HD13 ILE 24 3HD1 ILE 24 14.124 -2.748 -2.306 168 H THR 25 H THR 25 16.276 -7.105 -3.855 169 HA THR 25 HA THR 25 18.213 -7.095 -1.638 170 HB THR 25 HB THR 25 18.528 -8.763 -4.137 171 HG1 THR 25 1HG THR 25 18.228 -10.472 -2.364 172 HG21 THR 25 1HG2 THR 25 20.661 -8.325 -3.270 173 HG22 THR 25 2HG2 THR 25 20.237 -9.894 -2.585 174 HG23 THR 25 3HG2 THR 25 20.104 -8.436 -1.601 175 H LEU 26 H LEU 26 19.634 -5.497 -1.808 176 HA LEU 26 HA LEU 26 19.713 -3.586 -3.765 177 HB2 LEU 26 1HB LEU 26 21.826 -4.556 -1.870 178 HB3 LEU 26 2HB LEU 26 22.130 -3.221 -2.979 179 HG LEU 26 HG LEU 26 20.163 -3.321 -0.701 180 HD11 LEU 26 1HD1 LEU 26 22.497 -1.509 -1.301 181 HD12 LEU 26 2HD1 LEU 26 22.478 -2.811 -0.113 182 HD13 LEU 26 3HD1 LEU 26 21.436 -1.405 0.103 183 HD21 LEU 26 1HD2 LEU 26 20.000 -0.789 -1.626 184 HD22 LEU 26 2HD2 LEU 26 18.855 -2.066 -2.036 185 HD23 LEU 26 3HD2 LEU 26 20.174 -1.675 -3.141 186 HA PRO 27 HA PRO 27 21.504 -2.174 -4.542 187 HB2 PRO 27 1HB PRO 27 21.374 -1.160 -7.057 188 HB3 PRO 27 2HB PRO 27 22.896 -1.617 -6.283 189 HG2 PRO 27 1HG PRO 27 21.245 -3.141 -8.262 190 HG3 PRO 27 2HG PRO 27 23.005 -2.931 -8.199 191 HD2 PRO 27 1HD PRO 27 21.773 -5.176 -7.319 192 HD3 PRO 27 2HD PRO 27 23.267 -4.558 -6.587 193 H ASP 28 H ASP 28 19.407 -4.154 -6.430 194 HA ASP 28 HA ASP 28 17.353 -2.460 -7.140 195 HB2 ASP 28 1HB ASP 28 17.517 -5.342 -6.423 196 HB3 ASP 28 2HB ASP 28 15.913 -4.616 -6.485 197 H ASN 29 H ASN 29 16.858 -0.844 -5.716 198 HA ASN 29 HA ASN 29 15.755 -1.679 -3.114 199 HB2 ASN 29 1HB ASN 29 16.256 0.723 -2.425 200 HB3 ASN 29 2HB ASN 29 17.650 -0.327 -2.661 201 HD21 ASN 29 1HD2 ASN 29 15.568 1.724 -4.680 202 HD22 ASN 29 2HD2 ASN 29 16.863 2.514 -5.506 203 H GLU 30 H GLU 30 14.559 -1.269 -5.908 204 HA GLU 30 HA GLU 30 12.486 0.680 -5.146 205 HB2 GLU 30 1HB GLU 30 13.147 -0.295 -7.928 206 HB3 GLU 30 2HB GLU 30 12.036 0.998 -7.498 207 HG2 GLU 30 1HG GLU 30 13.857 2.360 -6.704 208 HG3 GLU 30 2HG GLU 30 15.000 1.047 -6.984 209 H VAL 31 H VAL 31 10.418 0.038 -4.972 210 HA VAL 31 HA VAL 31 9.617 -2.558 -6.058 211 HB VAL 31 HB VAL 31 10.266 -3.128 -3.812 212 HG11 VAL 31 1HG1 VAL 31 8.931 -1.996 -1.909 213 HG12 VAL 31 2HG1 VAL 31 10.317 -1.149 -2.600 214 HG13 VAL 31 3HG1 VAL 31 8.679 -0.699 -3.076 215 HG21 VAL 31 1HG2 VAL 31 8.372 -4.342 -4.475 216 HG22 VAL 31 2HG2 VAL 31 7.979 -3.752 -2.860 217 HG23 VAL 31 3HG2 VAL 31 7.304 -2.951 -4.279 218 H GLU 32 H GLU 32 7.490 -2.685 -6.646 219 HA GLU 32 HA GLU 32 5.898 -0.235 -6.268 220 HB2 GLU 32 1HB GLU 32 6.336 -0.429 -8.576 221 HB3 GLU 32 2HB GLU 32 6.071 -2.167 -8.566 222 HG2 GLU 32 1HG GLU 32 3.760 -1.942 -8.484 223 HG3 GLU 32 2HG GLU 32 3.847 -0.273 -7.925 224 H LEU 33 H LEU 33 4.432 -0.552 -4.725 225 HA LEU 33 HA LEU 33 3.227 -3.190 -4.381 226 HB2 LEU 33 1HB LEU 33 2.713 -0.778 -2.674 227 HB3 LEU 33 2HB LEU 33 2.524 -2.479 -2.256 228 HG LEU 33 HG LEU 33 5.256 -1.472 -2.879 229 HD11 LEU 33 1HD1 LEU 33 5.256 0.052 -1.270 230 HD12 LEU 33 2HD1 LEU 33 4.920 -1.229 -0.106 231 HD13 LEU 33 3HD1 LEU 33 3.590 -0.336 -0.842 232 HD21 LEU 33 1HD2 LEU 33 5.408 -3.687 -2.402 233 HD22 LEU 33 2HD2 LEU 33 3.974 -3.681 -1.376 234 HD23 LEU 33 3HD2 LEU 33 5.505 -3.061 -0.757 235 H LYS 34 H LYS 34 0.913 -3.409 -4.128 236 HA LYS 34 HA LYS 34 -0.709 -1.278 -5.300 237 HB2 LYS 34 1HB LYS 34 -0.162 -2.618 -7.221 238 HB3 LYS 34 2HB LYS 34 -0.552 -4.102 -6.360 239 HG2 LYS 34 1HG LYS 34 -2.895 -3.475 -6.291 240 HG3 LYS 34 2HG LYS 34 -2.525 -1.947 -7.092 241 HD2 LYS 34 1HD LYS 34 -1.654 -3.243 -9.029 242 HD3 LYS 34 2HD LYS 34 -2.201 -4.721 -8.233 243 HE2 LYS 34 1HE LYS 34 -4.498 -3.878 -8.252 244 HE3 LYS 34 2HE LYS 34 -3.951 -2.399 -9.041 245 HZ1 LYS 34 1HZ LYS 34 -3.000 -4.487 -10.578 246 HZ2 LYS 34 2HZ LYS 34 -4.259 -3.427 -10.963 247 HZ3 LYS 34 3HZ LYS 34 -4.597 -4.899 -10.201 248 H ALA 35 H ALA 35 -2.710 -1.124 -4.434 249 HA ALA 35 HA ALA 35 -3.378 -3.030 -2.313 250 HB1 ALA 35 1HB ALA 35 -4.718 -1.353 -1.349 251 HB2 ALA 35 2HB ALA 35 -3.262 -0.526 -1.904 252 HB3 ALA 35 3HB ALA 35 -4.754 -0.410 -2.839 253 H PHE 36 H PHE 36 -4.893 -4.517 -2.612 254 HA PHE 36 HA PHE 36 -6.686 -4.262 -4.916 255 HB2 PHE 36 1HB PHE 36 -5.661 -6.588 -3.325 256 HB3 PHE 36 2HB PHE 36 -7.148 -6.752 -4.254 257 HD1 PHE 36 1HD PHE 36 -7.065 -6.267 -6.739 258 HD2 PHE 36 2HD PHE 36 -3.577 -6.777 -4.352 259 HE1 PHE 36 1HE PHE 36 -5.748 -6.723 -8.767 260 HE2 PHE 36 2HE PHE 36 -2.254 -7.232 -6.376 261 HZ PHE 36 HZ PHE 36 -3.339 -7.204 -8.587 262 H VAL 37 H VAL 37 -8.637 -3.472 -4.528 263 HA VAL 37 HA VAL 37 -9.879 -3.988 -1.907 264 HB VAL 37 HB VAL 37 -10.523 -1.773 -3.857 265 HG11 VAL 37 1HG1 VAL 37 -12.303 -2.709 -2.222 266 HG12 VAL 37 2HG1 VAL 37 -11.363 -1.868 -0.988 267 HG13 VAL 37 3HG1 VAL 37 -12.065 -0.965 -2.331 268 HG21 VAL 37 1HG2 VAL 37 -9.184 -0.337 -2.677 269 HG22 VAL 37 2HG2 VAL 37 -9.282 -1.286 -1.195 270 HG23 VAL 37 3HG2 VAL 37 -8.252 -1.826 -2.521 271 H ALA 38 H ALA 38 -11.773 -5.045 -1.797 272 HA ALA 38 HA ALA 38 -13.293 -5.479 -4.273 273 HB1 ALA 38 1HB ALA 38 -11.851 -7.472 -2.764 274 HB2 ALA 38 2HB ALA 38 -13.574 -7.846 -2.834 275 HB3 ALA 38 3HB ALA 38 -12.662 -7.610 -4.325 276 HA PRO 39 HA PRO 39 -15.138 -6.473 -4.891 277 HB2 PRO 39 1HB PRO 39 -17.319 -5.086 -5.721 278 HB3 PRO 39 2HB PRO 39 -17.430 -6.622 -4.853 279 HG2 PRO 39 1HG PRO 39 -17.726 -3.832 -3.810 280 HG3 PRO 39 2HG PRO 39 -18.697 -5.270 -3.448 281 HD2 PRO 39 1HD PRO 39 -16.768 -4.358 -1.781 282 HD3 PRO 39 2HD PRO 39 -17.160 -6.083 -1.936 283 H ALA 40 H ALA 40 -14.739 -5.449 -6.918 284 HA ALA 40 HA ALA 40 -13.181 -3.076 -6.721 285 HB1 ALA 40 1HB ALA 40 -13.955 -4.938 -8.901 286 HB2 ALA 40 2HB ALA 40 -13.359 -3.339 -9.346 287 HB3 ALA 40 3HB ALA 40 -12.356 -4.414 -8.372 288 HA PRO 41 HA PRO 41 -16.268 0.002 -7.351 289 HB2 PRO 41 1HB PRO 41 -14.691 1.991 -8.315 290 HB3 PRO 41 2HB PRO 41 -14.698 1.509 -6.614 291 HG2 PRO 41 1HG PRO 41 -12.775 0.767 -8.786 292 HG3 PRO 41 2HG PRO 41 -12.442 1.229 -7.106 293 HD2 PRO 41 1HD PRO 41 -12.442 -1.348 -7.936 294 HD3 PRO 41 2HD PRO 41 -12.936 -0.872 -6.298 295 HA PRO 42 HA PRO 42 -17.518 -0.223 -11.573 296 HB2 PRO 42 1HB PRO 42 -19.165 1.932 -11.670 297 HB3 PRO 42 2HB PRO 42 -19.596 0.431 -10.843 298 HG2 PRO 42 1HG PRO 42 -18.534 2.986 -9.700 299 HG3 PRO 42 2HG PRO 42 -19.830 1.941 -9.090 300 HD2 PRO 42 1HD PRO 42 -17.322 1.897 -8.071 301 HD3 PRO 42 2HD PRO 42 -18.352 0.452 -8.135 302 H VAL 43 H VAL 43 -17.994 1.555 -13.419 303 HA VAL 43 HA VAL 43 -15.434 2.657 -14.045 304 HB VAL 43 HB VAL 43 -16.647 1.841 -15.894 305 HG11 VAL 43 1HG1 VAL 43 -18.911 2.970 -14.500 306 HG12 VAL 43 2HG1 VAL 43 -18.927 3.402 -16.211 307 HG13 VAL 43 3HG1 VAL 43 -18.862 1.706 -15.729 308 HG21 VAL 43 1HG2 VAL 43 -16.433 3.579 -17.367 309 HG22 VAL 43 2HG2 VAL 43 -17.224 4.734 -16.294 310 HG23 VAL 43 3HG2 VAL 43 -15.558 4.242 -15.987 311 H GLU 44 H GLU 44 -18.219 3.840 -12.449 312 HA GLU 44 HA GLU 44 -17.442 6.631 -12.887 313 HB2 GLU 44 1HB GLU 44 -19.917 5.369 -11.712 314 HB3 GLU 44 2HB GLU 44 -19.604 7.098 -11.639 315 HG2 GLU 44 1HG GLU 44 -19.557 5.666 -14.260 316 HG3 GLU 44 2HG GLU 44 -21.087 6.148 -13.528 317 H THR 45 H THR 45 -18.789 4.958 -10.053 318 HA THR 45 HA THR 45 -17.556 6.607 -8.164 319 HB THR 45 HB THR 45 -18.336 3.727 -7.691 320 HG1 THR 45 1HG THR 45 -20.337 4.333 -7.976 321 HG21 THR 45 1HG2 THR 45 -18.341 6.122 -5.849 322 HG22 THR 45 2HG2 THR 45 -17.103 4.866 -5.874 323 HG23 THR 45 3HG2 THR 45 -18.758 4.464 -5.419 324 H THR 46 H THR 46 -15.615 6.609 -7.183 325 HA THR 46 HA THR 46 -13.811 4.333 -7.624 326 HB THR 46 HB THR 46 -13.213 6.050 -9.272 327 HG1 THR 46 1HG THR 46 -11.607 4.806 -7.780 328 HG21 THR 46 1HG2 THR 46 -12.078 8.145 -8.128 329 HG22 THR 46 2HG2 THR 46 -13.250 7.795 -6.858 330 HG23 THR 46 3HG2 THR 46 -13.802 8.128 -8.499 331 H TYR 47 H TYR 47 -12.251 4.000 -6.018 332 HA TYR 47 HA TYR 47 -12.917 5.235 -3.456 333 HB2 TYR 47 1HB TYR 47 -11.136 2.861 -4.042 334 HB3 TYR 47 2HB TYR 47 -11.665 3.397 -2.451 335 HD1 TYR 47 2HD TYR 47 -14.525 3.961 -2.968 336 HD2 TYR 47 1HD TYR 47 -12.073 0.735 -4.266 337 HE1 TYR 47 2HE TYR 47 -16.515 2.527 -3.143 338 HE2 TYR 47 1HE TYR 47 -14.057 -0.708 -4.446 339 HH TYR 47 HH TYR 47 -16.315 -0.740 -4.457 340 H ASN 48 H ASN 48 -11.061 5.652 -1.942 341 HA ASN 48 HA ASN 48 -8.956 7.089 -3.401 342 HB2 ASN 48 1HB ASN 48 -10.276 7.495 -0.743 343 HB3 ASN 48 2HB ASN 48 -8.651 8.120 -1.004 344 HD21 ASN 48 1HD2 ASN 48 -11.978 8.553 -1.573 345 HD22 ASN 48 2HD2 ASN 48 -11.866 9.988 -2.528 346 H TYR 49 H TYR 49 -6.827 6.674 -3.073 347 HA TYR 49 HA TYR 49 -6.181 4.456 -1.244 348 HB2 TYR 49 1HB TYR 49 -4.814 5.232 -3.829 349 HB3 TYR 49 2HB TYR 49 -4.317 3.918 -2.769 350 HD1 TYR 49 2HD TYR 49 -6.835 5.043 -5.188 351 HD2 TYR 49 1HD TYR 49 -5.552 1.840 -2.698 352 HE1 TYR 49 2HE TYR 49 -8.345 3.515 -6.385 353 HE2 TYR 49 1HE TYR 49 -7.059 0.303 -3.889 354 HH TYR 49 HH TYR 49 -8.442 0.988 -6.817 355 H GLU 50 H GLU 50 -5.311 5.300 0.541 356 HA GLU 50 HA GLU 50 -3.238 7.371 0.221 357 HB2 GLU 50 1HB GLU 50 -5.410 8.021 1.411 358 HB3 GLU 50 2HB GLU 50 -4.877 6.971 2.715 359 HG2 GLU 50 1HG GLU 50 -4.034 8.917 3.487 360 HG3 GLU 50 2HG GLU 50 -2.675 8.432 2.474 361 H TRP 51 H TRP 51 -1.258 6.795 0.810 362 HA TRP 51 HA TRP 51 -0.942 4.405 2.496 363 HB2 TRP 51 1HB TRP 51 0.891 5.649 0.442 364 HB3 TRP 51 2HB TRP 51 1.387 4.348 1.520 365 HD1 TRP 51 HD TRP 51 -0.891 5.041 -1.483 366 HE1 TRP 51 1HE TRP 51 -1.517 2.794 -2.572 367 HE3 TRP 51 3HE TRP 51 1.113 1.871 1.991 368 HZ2 TRP 51 2HZ TRP 51 -1.204 0.042 -2.029 369 HZ3 TRP 51 3HZ TRP 51 0.906 -0.555 1.632 370 HH2 TRP 51 HH TRP 51 -0.229 -1.448 -0.337 371 H ASN 52 H ASN 52 0.739 4.383 4.091 372 HA ASN 52 HA ASN 52 2.014 6.867 4.826 373 HB2 ASN 52 1HB ASN 52 -0.315 5.760 6.340 374 HB3 ASN 52 2HB ASN 52 0.996 6.518 7.240 375 HD21 ASN 52 1HD2 ASN 52 -1.718 6.999 5.216 376 HD22 ASN 52 2HD2 ASN 52 -1.679 8.726 5.193 377 H LEU 53 H LEU 53 3.875 6.523 5.918 378 HA LEU 53 HA LEU 53 4.641 3.760 6.393 379 HB2 LEU 53 1HB LEU 53 6.130 5.304 5.171 380 HB3 LEU 53 2HB LEU 53 6.266 6.290 6.625 381 HG LEU 53 HG LEU 53 7.363 4.412 7.775 382 HD11 LEU 53 1HD1 LEU 53 6.723 3.040 5.221 383 HD12 LEU 53 2HD1 LEU 53 6.702 2.427 6.874 384 HD13 LEU 53 3HD1 LEU 53 8.236 2.632 6.029 385 HD21 LEU 53 1HD2 LEU 53 9.436 4.384 6.247 386 HD22 LEU 53 2HD2 LEU 53 8.885 5.932 6.889 387 HD23 LEU 53 3HD2 LEU 53 8.512 5.484 5.224 388 H ILE 54 H ILE 54 4.037 2.939 8.294 389 HA ILE 54 HA ILE 54 4.113 4.635 10.682 390 HB ILE 54 HB ILE 54 2.920 2.715 11.775 391 HG12 ILE 54 1HG1 ILE 54 3.783 1.157 9.824 392 HG13 ILE 54 2HG1 ILE 54 2.242 0.842 10.615 393 HG21 ILE 54 1HG2 ILE 54 1.475 4.410 11.236 394 HG22 ILE 54 2HG2 ILE 54 1.818 4.302 9.510 395 HG23 ILE 54 3HG2 ILE 54 0.793 3.092 10.282 396 HD11 ILE 54 1HD1 ILE 54 2.606 0.986 7.940 397 HD12 ILE 54 2HD1 ILE 54 1.069 1.270 8.760 398 HD13 ILE 54 3HD1 ILE 54 2.090 2.633 8.303 399 H SER 55 H SER 55 5.610 1.847 9.225 400 HA SER 55 HA SER 55 7.341 1.575 11.596 401 HB2 SER 55 1HB SER 55 5.777 -0.392 10.748 402 HB3 SER 55 2HB SER 55 7.100 -0.644 9.610 403 HG SER 55 HG SER 55 8.405 -0.460 11.715 404 H HIS 56 H HIS 56 9.314 2.336 11.280 405 HA HIS 56 HA HIS 56 10.830 1.650 8.940 406 HB2 HIS 56 1HB HIS 56 11.245 3.869 8.117 407 HB3 HIS 56 2HB HIS 56 9.501 3.635 8.181 408 HD1 HIS 56 1HD HIS 56 12.285 5.523 9.838 409 HD2 HIS 56 2HD HIS 56 8.137 5.302 9.942 410 HE1 HIS 56 1HE HIS 56 11.540 7.507 11.192 411 HE2 HIS 56 2HE HIS 56 9.032 7.305 11.313 412 HA PRO 57 HA PRO 57 14.033 1.898 11.949 413 HB2 PRO 57 1HB PRO 57 16.177 1.956 10.285 414 HB3 PRO 57 2HB PRO 57 15.225 0.495 10.574 415 HG2 PRO 57 1HG PRO 57 15.096 2.417 8.283 416 HG3 PRO 57 2HG PRO 57 15.044 0.644 8.261 417 HD2 PRO 57 1HD PRO 57 12.817 2.169 8.044 418 HD3 PRO 57 2HD PRO 57 12.812 0.577 8.829 419 H THR 58 H THR 58 15.636 3.313 12.786 420 HA THR 58 HA THR 58 15.089 6.046 12.505 421 HB THR 58 HB THR 58 16.271 4.772 14.445 422 HG1 THR 58 1HG THR 58 16.041 6.853 14.899 423 HG21 THR 58 1HG2 THR 58 18.777 5.809 13.204 424 HG22 THR 58 2HG2 THR 58 18.187 4.218 12.723 425 HG23 THR 58 3HG2 THR 58 18.559 4.546 14.415 426 H ASP 59 H ASP 59 17.379 3.966 10.888 427 HA ASP 59 HA ASP 59 19.101 5.925 9.843 428 HB2 ASP 59 1HB ASP 59 18.384 3.128 9.033 429 HB3 ASP 59 2HB ASP 59 19.402 4.111 7.984 430 H TYR 60 H TYR 60 15.916 4.904 8.921 431 HA TYR 60 HA TYR 60 16.068 6.369 6.395 432 HB2 TYR 60 1HB TYR 60 14.972 4.027 6.728 433 HB3 TYR 60 2HB TYR 60 13.616 4.943 7.375 434 HD1 TYR 60 1HD TYR 60 15.656 4.330 4.363 435 HD2 TYR 60 2HD TYR 60 12.160 6.175 5.939 436 HE1 TYR 60 1HE TYR 60 14.839 4.721 2.076 437 HE2 TYR 60 2HE TYR 60 11.333 6.570 3.657 438 HH TYR 60 HH TYR 60 12.452 6.832 1.313 439 H GLN 61 H GLN 61 15.046 8.260 6.025 440 HA GLN 61 HA GLN 61 14.082 9.740 8.290 441 HB2 GLN 61 1HB GLN 61 14.313 10.421 5.359 442 HB3 GLN 61 2HB GLN 61 13.712 11.547 6.568 443 HG2 GLN 61 1HG GLN 61 15.844 11.426 7.749 444 HG3 GLN 61 2HG GLN 61 16.447 10.292 6.541 445 HE21 GLN 61 1HE2 GLN 61 17.407 12.954 7.327 446 HE22 GLN 61 2HE2 GLN 61 17.431 13.890 5.875 447 H GLY 62 H GLY 62 12.643 8.626 5.227 448 HA2 GLY 62 1HA GLY 62 10.432 7.634 5.255 449 HA3 GLY 62 2HA GLY 62 10.013 8.735 6.559 450 H GLU 63 H GLU 63 10.628 8.471 3.111 451 HA GLU 63 HA GLU 63 9.093 10.955 2.731 452 HB2 GLU 63 1HB GLU 63 11.650 10.084 1.432 453 HB3 GLU 63 2HB GLU 63 10.533 11.123 0.558 454 HG2 GLU 63 1HG GLU 63 11.321 11.903 3.313 455 HG3 GLU 63 2HG GLU 63 12.491 12.108 2.011 456 H ILE 64 H ILE 64 7.162 10.165 2.111 457 HA ILE 64 HA ILE 64 7.089 8.615 -0.368 458 HB ILE 64 HB ILE 64 5.393 7.865 2.013 459 HG12 ILE 64 1HG1 ILE 64 7.749 6.352 0.872 460 HG13 ILE 64 2HG1 ILE 64 7.834 7.355 2.316 461 HG21 ILE 64 1HG2 ILE 64 5.176 7.328 -0.758 462 HG22 ILE 64 2HG2 ILE 64 5.630 5.826 0.045 463 HG23 ILE 64 3HG2 ILE 64 4.188 6.700 0.561 464 HD11 ILE 64 1HD1 ILE 64 6.311 4.805 1.911 465 HD12 ILE 64 2HD1 ILE 64 7.590 5.152 3.076 466 HD13 ILE 64 3HD1 ILE 64 6.000 5.892 3.264 467 H LYS 65 H LYS 65 5.347 9.043 -1.674 468 HA LYS 65 HA LYS 65 3.859 11.446 -1.044 469 HB2 LYS 65 1HB LYS 65 4.114 9.727 -3.502 470 HB3 LYS 65 2HB LYS 65 2.921 11.016 -3.400 471 HG2 LYS 65 1HG LYS 65 5.836 11.515 -2.900 472 HG3 LYS 65 2HG LYS 65 5.141 11.550 -4.522 473 HD2 LYS 65 1HD LYS 65 3.920 13.155 -2.306 474 HD3 LYS 65 2HD LYS 65 5.330 13.759 -3.180 475 HE2 LYS 65 1HE LYS 65 2.863 12.806 -4.603 476 HE3 LYS 65 2HE LYS 65 3.019 14.462 -4.020 477 HZ1 LYS 65 1HZ LYS 65 3.780 14.595 -6.179 478 HZ2 LYS 65 2HZ LYS 65 4.554 13.092 -6.129 479 HZ3 LYS 65 3HZ LYS 65 5.225 14.416 -5.317 480 H GLN 66 H GLN 66 3.314 8.939 0.425 481 HA GLN 66 HA GLN 66 1.573 7.605 1.080 482 HB2 GLN 66 1HB GLN 66 0.051 10.126 0.398 483 HB3 GLN 66 2HB GLN 66 -0.533 8.828 1.430 484 HG2 GLN 66 1HG GLN 66 0.787 9.429 3.178 485 HG3 GLN 66 2HG GLN 66 2.050 10.092 2.142 486 HE21 GLN 66 1HE2 GLN 66 -1.109 10.683 3.534 487 HE22 GLN 66 2HE2 GLN 66 -1.058 12.404 3.399 488 H GLY 67 H GLY 67 2.243 7.606 -1.833 489 HA2 GLY 67 1HA GLY 67 1.272 7.037 -3.879 490 HA3 GLY 67 2HA GLY 67 0.702 5.712 -2.876 491 H HIS 68 H HIS 68 -0.125 8.935 -4.066 492 HA HIS 68 HA HIS 68 -2.750 9.067 -3.140 493 HB2 HIS 68 1HB HIS 68 -1.298 10.303 -5.448 494 HB3 HIS 68 2HB HIS 68 -3.042 10.508 -5.316 495 HD1 HIS 68 1HD HIS 68 -0.986 10.447 -2.206 496 HD2 HIS 68 2HD HIS 68 -2.725 13.242 -4.742 497 HE1 HIS 68 1HE HIS 68 -0.871 12.637 -0.974 498 HE2 HIS 68 2HE HIS 68 -2.006 14.296 -2.492 499 H LYS 69 H LYS 69 -1.405 6.922 -5.351 500 HA LYS 69 HA LYS 69 -4.007 6.383 -6.614 501 HB2 LYS 69 1HB LYS 69 -1.179 5.973 -7.469 502 HB3 LYS 69 2HB LYS 69 -2.393 4.843 -8.055 503 HG2 LYS 69 1HG LYS 69 -3.421 6.402 -9.356 504 HG3 LYS 69 2HG LYS 69 -2.967 7.744 -8.302 505 HD2 LYS 69 1HD LYS 69 -0.812 6.283 -9.746 506 HD3 LYS 69 2HD LYS 69 -1.832 7.395 -10.662 507 HE2 LYS 69 1HE LYS 69 -0.102 8.767 -9.978 508 HE3 LYS 69 2HE LYS 69 -1.316 9.051 -8.732 509 HZ1 LYS 69 1HZ LYS 69 1.152 8.541 -8.106 510 HZ2 LYS 69 2HZ LYS 69 0.666 6.933 -8.303 511 HZ3 LYS 69 3HZ LYS 69 -0.116 7.921 -7.173 512 H GLN 70 H GLN 70 -3.879 3.830 -7.328 513 HA GLN 70 HA GLN 70 -4.197 2.445 -4.832 514 HB2 GLN 70 1HB GLN 70 -5.763 2.011 -6.624 515 HB3 GLN 70 2HB GLN 70 -4.459 1.518 -7.696 516 HG2 GLN 70 1HG GLN 70 -4.000 -0.403 -6.265 517 HG3 GLN 70 2HG GLN 70 -5.299 0.093 -5.182 518 HE21 GLN 70 1HE2 GLN 70 -4.722 -2.244 -7.110 519 HE22 GLN 70 2HE2 GLN 70 -6.221 -2.437 -7.948 520 H THR 71 H THR 71 -1.595 3.013 -6.866 521 HA THR 71 HA THR 71 -0.145 0.704 -5.747 522 HB THR 71 HB THR 71 1.353 1.112 -7.887 523 HG1 THR 71 1HG THR 71 -1.213 1.805 -8.894 524 HG21 THR 71 1HG2 THR 71 0.635 -0.965 -8.244 525 HG22 THR 71 2HG2 THR 71 -0.858 -0.327 -8.933 526 HG23 THR 71 3HG2 THR 71 -0.761 -0.673 -7.206 527 H LEU 72 H LEU 72 1.711 1.135 -4.704 528 HA LEU 72 HA LEU 72 2.718 3.903 -4.811 529 HB2 LEU 72 1HB LEU 72 1.814 3.481 -2.652 530 HB3 LEU 72 2HB LEU 72 2.637 1.925 -2.545 531 HG LEU 72 HG LEU 72 4.790 3.078 -2.371 532 HD11 LEU 72 1HD1 LEU 72 3.364 5.683 -2.054 533 HD12 LEU 72 2HD1 LEU 72 3.834 5.122 -3.659 534 HD13 LEU 72 3HD1 LEU 72 5.062 5.367 -2.417 535 HD21 LEU 72 1HD2 LEU 72 4.580 3.709 -0.132 536 HD22 LEU 72 2HD2 LEU 72 3.257 2.570 -0.383 537 HD23 LEU 72 3HD2 LEU 72 2.935 4.305 -0.357 538 H ASN 73 H ASN 73 4.670 4.143 -5.658 539 HA ASN 73 HA ASN 73 6.420 1.794 -5.859 540 HB2 ASN 73 1HB ASN 73 7.028 4.314 -7.329 541 HB3 ASN 73 2HB ASN 73 7.255 2.640 -7.827 542 HD21 ASN 73 1HD2 ASN 73 4.964 1.464 -7.820 543 HD22 ASN 73 2HD2 ASN 73 3.777 2.282 -8.773 544 H LEU 74 H LEU 74 8.322 1.708 -4.828 545 HA LEU 74 HA LEU 74 9.221 4.133 -3.415 546 HB2 LEU 74 1HB LEU 74 9.106 1.270 -2.626 547 HB3 LEU 74 2HB LEU 74 10.436 2.247 -2.007 548 HG LEU 74 HG LEU 74 8.684 2.169 -0.368 549 HD11 LEU 74 1HD1 LEU 74 9.933 4.359 -0.974 550 HD12 LEU 74 2HD1 LEU 74 8.550 4.422 0.118 551 HD13 LEU 74 3HD1 LEU 74 8.360 4.884 -1.573 552 HD21 LEU 74 1HD2 LEU 74 6.445 3.153 -0.898 553 HD22 LEU 74 2HD2 LEU 74 6.781 1.615 -1.693 554 HD23 LEU 74 3HD2 LEU 74 6.902 3.122 -2.602 555 H SER 75 H SER 75 11.526 4.384 -3.124 556 HA SER 75 HA SER 75 13.259 2.809 -4.851 557 HB2 SER 75 1HB SER 75 13.036 5.811 -5.172 558 HB3 SER 75 2HB SER 75 14.129 4.744 -6.052 559 HG SER 75 HG SER 75 12.021 5.399 -7.064 560 H GLN 76 H GLN 76 15.584 3.568 -4.627 561 HA GLN 76 HA GLN 76 17.351 3.640 -3.170 562 HB2 GLN 76 1HB GLN 76 15.912 6.152 -2.302 563 HB3 GLN 76 2HB GLN 76 17.621 5.805 -2.075 564 HG2 GLN 76 1HG GLN 76 17.640 5.572 -4.664 565 HG3 GLN 76 2HG GLN 76 16.147 6.504 -4.569 566 HE21 GLN 76 1HE2 GLN 76 17.025 8.285 -5.588 567 HE22 GLN 76 2HE2 GLN 76 18.186 9.314 -4.828 568 H LEU 77 H LEU 77 15.034 2.155 -2.202 569 HA LEU 77 HA LEU 77 14.589 2.714 0.542 570 HB2 LEU 77 1HB LEU 77 14.127 0.331 -1.212 571 HB3 LEU 77 2HB LEU 77 13.857 0.235 0.527 572 HG LEU 77 HG LEU 77 12.482 2.237 -1.256 573 HD11 LEU 77 1HD1 LEU 77 11.746 -0.570 -0.526 574 HD12 LEU 77 2HD1 LEU 77 11.663 0.235 -2.092 575 HD13 LEU 77 3HD1 LEU 77 10.500 0.641 -0.830 576 HD21 LEU 77 1HD2 LEU 77 12.763 2.383 1.380 577 HD22 LEU 77 2HD2 LEU 77 11.394 1.272 1.331 578 HD23 LEU 77 3HD2 LEU 77 11.271 2.858 0.568 579 H SER 78 H SER 78 16.372 2.851 1.800 580 HA SER 78 HA SER 78 18.697 1.330 1.588 581 HB2 SER 78 1HB SER 78 19.305 2.189 3.731 582 HB3 SER 78 2HB SER 78 18.356 3.450 2.943 583 HG SER 78 HG SER 78 17.346 3.346 4.815 584 H VAL 79 H VAL 79 19.502 -0.160 3.383 585 HA VAL 79 HA VAL 79 17.862 -2.480 3.415 586 HB VAL 79 HB VAL 79 20.384 -1.898 4.975 587 HG11 VAL 79 1HG1 VAL 79 19.650 -4.668 4.296 588 HG12 VAL 79 2HG1 VAL 79 20.385 -4.011 5.761 589 HG13 VAL 79 3HG1 VAL 79 18.642 -3.887 5.515 590 HG21 VAL 79 1HG2 VAL 79 21.485 -2.165 3.066 591 HG22 VAL 79 2HG2 VAL 79 20.759 -3.759 2.860 592 HG23 VAL 79 3HG2 VAL 79 19.955 -2.333 2.204 593 H GLY 80 H GLY 80 16.004 -2.370 4.559 594 HA2 GLY 80 1HA GLY 80 16.050 -2.609 7.357 595 HA3 GLY 80 2HA GLY 80 15.623 -0.952 6.954 596 H LEU 81 H LEU 81 13.771 -2.196 8.323 597 HA LEU 81 HA LEU 81 11.891 -3.514 6.537 598 HB2 LEU 81 1HB LEU 81 12.274 -4.328 8.848 599 HB3 LEU 81 2HB LEU 81 11.601 -2.817 9.455 600 HG LEU 81 HG LEU 81 9.428 -3.369 8.649 601 HD11 LEU 81 1HD1 LEU 81 9.413 -4.398 6.655 602 HD12 LEU 81 2HD1 LEU 81 9.394 -5.873 7.621 603 HD13 LEU 81 3HD1 LEU 81 10.916 -5.264 6.971 604 HD21 LEU 81 1HD2 LEU 81 9.339 -5.867 9.629 605 HD22 LEU 81 2HD2 LEU 81 9.460 -4.429 10.643 606 HD23 LEU 81 3HD2 LEU 81 10.908 -5.357 10.251 607 H TYR 82 H TYR 82 10.056 -2.631 5.748 608 HA TYR 82 HA TYR 82 9.273 0.041 6.673 609 HB2 TYR 82 1HB TYR 82 9.485 -0.714 3.753 610 HB3 TYR 82 2HB TYR 82 9.030 0.855 4.407 611 HD1 TYR 82 2HD TYR 82 10.802 2.070 5.846 612 HD2 TYR 82 1HD TYR 82 11.710 -1.155 3.224 613 HE1 TYR 82 2HE TYR 82 13.158 2.776 5.803 614 HE2 TYR 82 1HE TYR 82 14.068 -0.459 3.174 615 HH TYR 82 HH TYR 82 15.630 0.833 4.272 616 H VAL 83 H VAL 83 7.252 -0.122 7.360 617 HA VAL 83 HA VAL 83 5.433 -1.998 6.006 618 HB VAL 83 HB VAL 83 5.288 -0.820 8.783 619 HG11 VAL 83 1HG1 VAL 83 3.447 -2.969 8.299 620 HG12 VAL 83 2HG1 VAL 83 3.129 -1.333 8.879 621 HG13 VAL 83 3HG1 VAL 83 3.174 -1.663 7.146 622 HG21 VAL 83 1HG2 VAL 83 6.915 -2.739 8.191 623 HG22 VAL 83 2HG2 VAL 83 5.875 -2.913 9.604 624 HG23 VAL 83 3HG2 VAL 83 5.459 -3.730 8.097 625 H PHE 84 H PHE 84 4.056 -1.103 4.633 626 HA PHE 84 HA PHE 84 3.201 1.675 5.089 627 HB2 PHE 84 1HB PHE 84 2.879 0.209 2.484 628 HB3 PHE 84 2HB PHE 84 2.948 1.945 2.772 629 HD1 PHE 84 1HD PHE 84 4.912 -1.132 2.458 630 HD2 PHE 84 2HD PHE 84 5.045 3.091 2.972 631 HE1 PHE 84 1HE PHE 84 7.317 -1.148 1.936 632 HE2 PHE 84 2HE PHE 84 7.449 3.082 2.450 633 HZ PHE 84 HZ PHE 84 8.588 0.961 1.931 634 H LYS 85 H LYS 85 1.122 2.119 5.473 635 HA LYS 85 HA LYS 85 -0.816 -0.088 5.230 636 HB2 LYS 85 1HB LYS 85 -0.637 0.435 7.521 637 HB3 LYS 85 2HB LYS 85 -0.581 2.166 7.210 638 HG2 LYS 85 1HG LYS 85 -2.952 2.003 6.413 639 HG3 LYS 85 2HG LYS 85 -2.961 0.340 7.005 640 HD2 LYS 85 1HD LYS 85 -3.785 1.395 8.853 641 HD3 LYS 85 2HD LYS 85 -2.059 1.513 9.205 642 HE2 LYS 85 1HE LYS 85 -2.648 3.687 9.541 643 HE3 LYS 85 2HE LYS 85 -2.309 3.753 7.812 644 HZ1 LYS 85 1HZ LYS 85 -4.937 3.656 9.163 645 HZ2 LYS 85 2HZ LYS 85 -4.769 3.258 7.528 646 HZ3 LYS 85 3HZ LYS 85 -4.358 4.808 8.067 647 H VAL 86 H VAL 86 -2.091 0.161 3.523 648 HA VAL 86 HA VAL 86 -2.652 2.814 2.469 649 HB VAL 86 HB VAL 86 -2.139 1.256 0.773 650 HG11 VAL 86 1HG1 VAL 86 -2.347 -0.914 1.214 651 HG12 VAL 86 2HG1 VAL 86 -3.507 -0.601 2.506 652 HG13 VAL 86 3HG1 VAL 86 -4.064 -0.759 0.840 653 HG21 VAL 86 1HG2 VAL 86 -5.070 1.038 0.479 654 HG22 VAL 86 2HG2 VAL 86 -4.423 2.664 0.707 655 HG23 VAL 86 3HG2 VAL 86 -3.860 1.671 -0.637 656 H THR 87 H THR 87 -4.225 3.899 3.471 657 HA THR 87 HA THR 87 -6.557 2.475 4.501 658 HB THR 87 HB THR 87 -6.262 5.438 4.746 659 HG1 THR 87 1HG THR 87 -4.586 5.288 6.049 660 HG21 THR 87 1HG2 THR 87 -8.223 4.079 5.618 661 HG22 THR 87 2HG2 THR 87 -7.425 5.134 6.785 662 HG23 THR 87 3HG2 THR 87 -7.102 3.401 6.797 663 H VAL 88 H VAL 88 -7.899 2.013 2.828 664 HA VAL 88 HA VAL 88 -8.677 4.218 1.041 665 HB VAL 88 HB VAL 88 -9.002 1.238 0.668 666 HG11 VAL 88 1HG1 VAL 88 -10.126 3.571 -0.756 667 HG12 VAL 88 2HG1 VAL 88 -9.498 2.261 -1.757 668 HG13 VAL 88 3HG1 VAL 88 -10.764 1.938 -0.572 669 HG21 VAL 88 1HG2 VAL 88 -7.497 2.531 -1.381 670 HG22 VAL 88 2HG2 VAL 88 -6.809 2.953 0.187 671 HG23 VAL 88 3HG2 VAL 88 -6.989 1.259 -0.270 672 H SER 89 H SER 89 -10.400 5.241 1.849 673 HA SER 89 HA SER 89 -12.754 3.627 2.528 674 HB2 SER 89 1HB SER 89 -13.249 5.128 4.436 675 HB3 SER 89 2HB SER 89 -11.740 4.245 4.662 676 HG SER 89 HG SER 89 -11.619 6.754 3.444 677 H SER 90 H SER 90 -14.740 4.589 2.081 678 HA SER 90 HA SER 90 -14.590 7.075 0.502 679 HB2 SER 90 1HB SER 90 -16.079 4.521 0.034 680 HB3 SER 90 2HB SER 90 -16.774 6.033 -0.549 681 HG SER 90 HG SER 90 -15.229 6.201 -2.000 682 H GLU 91 H GLU 91 -16.962 7.994 0.265 683 HA GLU 91 HA GLU 91 -17.708 9.160 2.613 684 HB2 GLU 91 1HB GLU 91 -18.530 9.764 0.324 685 HB3 GLU 91 2HB GLU 91 -19.648 8.410 0.421 686 HG2 GLU 91 1HG GLU 91 -20.633 9.455 2.453 687 HG3 GLU 91 2HG GLU 91 -19.604 10.858 2.167 688 H ASN 92 H ASN 92 -19.262 6.285 1.187 689 HA ASN 92 HA ASN 92 -20.288 5.630 3.871 690 HB2 ASN 92 1HB ASN 92 -22.022 6.164 2.131 691 HB3 ASN 92 2HB ASN 92 -21.470 4.756 1.228 692 HD21 ASN 92 1HD2 ASN 92 -22.423 5.598 4.543 693 HD22 ASN 92 2HD2 ASN 92 -23.386 4.187 4.804 694 H ALA 93 H ALA 93 -17.703 4.903 3.160 695 HA ALA 93 HA ALA 93 -17.848 2.059 3.507 696 HB1 ALA 93 1HB ALA 93 -16.230 2.832 1.128 697 HB2 ALA 93 2HB ALA 93 -16.977 1.285 1.532 698 HB3 ALA 93 3HB ALA 93 -17.972 2.619 0.947 699 H PHE 94 H PHE 94 -15.702 1.098 3.870 700 HA PHE 94 HA PHE 94 -13.458 2.869 4.235 701 HB2 PHE 94 1HB PHE 94 -14.739 3.317 6.282 702 HB3 PHE 94 2HB PHE 94 -14.766 1.595 6.648 703 HD1 PHE 94 1HD PHE 94 -12.715 4.619 6.546 704 HD2 PHE 94 2HD PHE 94 -12.806 0.468 7.485 705 HE1 PHE 94 1HE PHE 94 -10.593 4.852 7.771 706 HE2 PHE 94 2HE PHE 94 -10.686 0.695 8.711 707 HZ PHE 94 HZ PHE 94 -9.577 2.889 8.857 708 H GLY 95 H GLY 95 -11.517 1.787 4.355 709 HA2 GLY 95 1HA GLY 95 -11.234 -0.940 5.047 710 HA3 GLY 95 2HA GLY 95 -11.364 -0.791 3.301 711 H GLU 96 H GLU 96 -9.182 -1.211 5.604 712 HA GLU 96 HA GLU 96 -7.095 0.158 4.065 713 HB2 GLU 96 1HB GLU 96 -5.939 0.793 6.151 714 HB3 GLU 96 2HB GLU 96 -7.501 1.582 5.986 715 HG2 GLU 96 1HG GLU 96 -8.436 0.413 7.711 716 HG3 GLU 96 2HG GLU 96 -7.356 -0.965 7.508 717 H GLY 97 H GLY 97 -5.183 -0.949 3.875 718 HA2 GLY 97 1HA GLY 97 -5.167 -3.655 5.060 719 HA3 GLY 97 2HA GLY 97 -4.481 -3.262 3.491 720 H PHE 98 H PHE 98 -2.666 -4.476 4.624 721 HA PHE 98 HA PHE 98 -0.777 -2.498 5.588 722 HB2 PHE 98 1HB PHE 98 -1.650 -4.862 7.246 723 HB3 PHE 98 2HB PHE 98 -0.111 -4.045 7.503 724 HD1 PHE 98 2HD PHE 98 -3.757 -3.733 7.725 725 HD2 PHE 98 1HD PHE 98 -0.009 -1.873 8.509 726 HE1 PHE 98 2HE PHE 98 -4.881 -2.078 9.158 727 HE2 PHE 98 1HE PHE 98 -1.127 -0.216 9.943 728 HZ PHE 98 HZ PHE 98 -3.566 -0.316 10.268 729 H VAL 99 H VAL 99 1.086 -2.815 4.578 730 HA VAL 99 HA VAL 99 1.944 -5.547 3.953 731 HB VAL 99 HB VAL 99 0.914 -4.828 1.903 732 HG11 VAL 99 1HG1 VAL 99 0.747 -2.652 1.476 733 HG12 VAL 99 2HG1 VAL 99 2.008 -2.268 2.650 734 HG13 VAL 99 3HG1 VAL 99 2.442 -2.678 0.990 735 HG21 VAL 99 1HG2 VAL 99 3.721 -4.305 1.165 736 HG22 VAL 99 2HG2 VAL 99 3.424 -5.785 2.076 737 HG23 VAL 99 3HG2 VAL 99 2.590 -5.509 0.548 738 H ASN 100 H ASN 100 4.099 -5.883 4.144 739 HA ASN 100 HA ASN 100 5.760 -3.531 4.773 740 HB2 ASN 100 1HB ASN 100 6.892 -4.736 6.417 741 HB3 ASN 100 2HB ASN 100 5.236 -5.307 6.601 742 HD21 ASN 100 1HD2 ASN 100 7.574 -6.665 7.444 743 HD22 ASN 100 2HD2 ASN 100 7.665 -8.148 6.563 744 H VAL 101 H VAL 101 7.981 -3.599 4.130 745 HA VAL 101 HA VAL 101 8.659 -5.589 2.084 746 HB VAL 101 HB VAL 101 8.814 -2.598 1.709 747 HG11 VAL 101 1HG1 VAL 101 9.667 -3.507 -0.636 748 HG12 VAL 101 2HG1 VAL 101 10.774 -3.164 0.695 749 HG13 VAL 101 3HG1 VAL 101 10.260 -4.822 0.379 750 HG21 VAL 101 1HG2 VAL 101 7.619 -3.562 -0.498 751 HG22 VAL 101 2HG2 VAL 101 7.081 -4.756 0.683 752 HG23 VAL 101 3HG2 VAL 101 6.736 -3.046 0.939 753 H THR 102 H THR 102 10.473 -6.512 2.754 754 HA THR 102 HA THR 102 12.366 -5.005 4.387 755 HB THR 102 HB THR 102 12.188 -7.945 3.716 756 HG1 THR 102 1HG THR 102 10.764 -6.867 5.352 757 HG21 THR 102 1HG2 THR 102 14.460 -6.403 4.582 758 HG22 THR 102 2HG2 THR 102 14.355 -8.124 4.207 759 HG23 THR 102 3HG2 THR 102 13.985 -7.551 5.834 760 H VAL 103 H VAL 103 14.410 -4.490 3.774 761 HA VAL 103 HA VAL 103 15.140 -5.094 0.984 762 HB VAL 103 HB VAL 103 15.920 -2.731 2.696 763 HG11 VAL 103 1HG1 VAL 103 17.038 -3.817 0.191 764 HG12 VAL 103 2HG1 VAL 103 16.759 -2.075 0.227 765 HG13 VAL 103 3HG1 VAL 103 17.795 -2.828 1.440 766 HG21 VAL 103 1HG2 VAL 103 14.758 -1.531 0.736 767 HG22 VAL 103 2HG2 VAL 103 14.039 -3.104 0.391 768 HG23 VAL 103 3HG2 VAL 103 13.751 -2.325 1.947 769 H LYS 104 H LYS 104 16.506 -6.772 1.005 770 HA LYS 104 HA LYS 104 18.440 -7.104 3.139 771 HB2 LYS 104 1HB LYS 104 17.930 -8.752 0.655 772 HB3 LYS 104 2HB LYS 104 19.033 -9.191 1.953 773 HG2 LYS 104 1HG LYS 104 16.209 -8.621 2.663 774 HG3 LYS 104 2HG LYS 104 16.573 -10.135 1.831 775 HD2 LYS 104 1HD LYS 104 17.752 -10.978 3.593 776 HD3 LYS 104 2HD LYS 104 18.288 -9.386 4.136 777 HE2 LYS 104 1HE LYS 104 15.390 -10.017 4.312 778 HE3 LYS 104 2HE LYS 104 16.474 -10.796 5.464 779 HZ1 LYS 104 1HZ LYS 104 15.673 -8.767 6.402 780 HZ2 LYS 104 2HZ LYS 104 16.133 -7.879 5.038 781 HZ3 LYS 104 3HZ LYS 104 17.313 -8.561 6.041 782 HA PRO 105 HA PRO 105 21.871 -5.222 1.144 783 HB2 PRO 105 1HB PRO 105 23.907 -6.735 2.112 784 HB3 PRO 105 2HB PRO 105 23.029 -5.560 3.099 785 HG2 PRO 105 1HG PRO 105 22.690 -8.530 2.940 786 HG3 PRO 105 2HG PRO 105 22.704 -7.481 4.369 787 HD2 PRO 105 1HD PRO 105 20.412 -8.410 3.267 788 HD3 PRO 105 2HD PRO 105 20.514 -6.829 4.068 789 H ALA 106 H ALA 106 23.428 -5.501 -0.505 790 HA ALA 106 HA ALA 106 22.776 -7.378 -2.490 791 HB1 ALA 106 1HB ALA 106 25.365 -6.520 -3.054 792 HB2 ALA 106 2HB ALA 106 23.858 -5.812 -3.639 793 HB3 ALA 106 3HB ALA 106 24.621 -5.182 -2.179 794 H ARG 107 H ARG 107 23.079 -9.501 -2.321 795 HA ARG 107 HA ARG 107 25.103 -10.650 -0.658 796 HB2 ARG 107 1HB ARG 107 24.277 -12.809 -1.569 797 HB3 ARG 107 2HB ARG 107 22.998 -11.801 -0.907 798 HG2 ARG 107 1HG ARG 107 22.460 -11.061 -3.213 799 HG3 ARG 107 2HG ARG 107 23.656 -12.212 -3.814 800 HD2 ARG 107 1HD ARG 107 21.489 -13.141 -1.980 801 HD3 ARG 107 2HD ARG 107 21.134 -12.877 -3.686 802 HE ARG 107 HE ARG 107 23.399 -14.434 -3.634 803 HH11 ARG 107 2HH1 ARG 107 20.136 -14.692 -2.448 804 HH12 ARG 107 1HH1 ARG 107 20.088 -16.419 -2.574 805 HH21 ARG 107 2HH2 ARG 107 23.348 -16.708 -3.805 806 HH22 ARG 107 1HH2 ARG 107 21.916 -17.565 -3.345 807 H SER 108 H SER 108 24.751 -9.973 -4.071 808 HA SER 108 HA SER 108 26.621 -11.587 -5.241 809 HB2 SER 108 1HB SER 108 25.159 -9.775 -6.318 810 HB3 SER 108 2HB SER 108 26.456 -8.651 -5.912 811 HG SER 108 HG SER 108 27.746 -10.503 -7.039 812 H GLY 109 H GLY 109 27.337 -8.311 -4.005 813 HA2 GLY 109 1HA GLY 109 30.174 -9.045 -3.883 814 HA3 GLY 109 2HA GLY 109 29.527 -7.413 -3.803 815 HA PRO 110 HA PRO 110 30.527 -9.194 0.480 816 HB2 PRO 110 1HB PRO 110 32.703 -7.660 1.013 817 HB3 PRO 110 2HB PRO 110 32.811 -9.243 0.235 818 HG2 PRO 110 1HG PRO 110 32.868 -6.517 -1.001 819 HG3 PRO 110 2HG PRO 110 33.874 -7.932 -1.364 820 HD2 PRO 110 1HD PRO 110 31.757 -7.218 -2.894 821 HD3 PRO 110 2HD PRO 110 32.247 -8.910 -2.672 822 H SER 111 H SER 111 29.875 -8.187 2.343 823 HA SER 111 HA SER 111 28.420 -5.768 2.106 824 HB2 SER 111 1HB SER 111 29.160 -7.555 4.404 825 HB3 SER 111 2HB SER 111 28.384 -6.000 4.702 826 HG SER 111 HG SER 111 27.086 -8.089 4.291 827 H SER 112 H SER 112 31.445 -6.568 3.798 828 HA SER 112 HA SER 112 32.503 -3.945 3.307 829 HB2 SER 112 1HB SER 112 30.938 -3.845 5.414 830 HB3 SER 112 2HB SER 112 32.300 -4.624 6.220 831 HG SER 112 HG SER 112 33.600 -2.878 5.593 832 H GLY 113 H GLY 113 34.734 -3.741 3.956 833 HA2 GLY 113 1HA GLY 113 36.842 -4.531 4.498 834 HA3 GLY 113 2HA GLY 113 36.097 -6.002 5.105 Start of MODEL 5 1 H1 GLY 1 H GLY 1 -16.718 7.677 17.065 2 HA2 GLY 1 1HA GLY 1 -17.772 9.551 15.260 3 HA3 GLY 1 2HA GLY 1 -18.968 9.268 16.516 4 H SER 2 H SER 2 -18.722 11.488 17.120 5 HA SER 2 HA SER 2 -16.434 11.884 18.911 6 HB2 SER 2 1HB SER 2 -16.094 13.078 16.691 7 HB3 SER 2 2HB SER 2 -17.466 14.094 17.130 8 HG SER 2 HG SER 2 -16.314 15.003 18.710 9 H SER 3 H SER 3 -17.280 12.069 20.871 10 HA SER 3 HA SER 3 -18.696 12.578 22.583 11 HB2 SER 3 1HB SER 3 -18.975 15.068 20.888 12 HB3 SER 3 2HB SER 3 -19.616 14.922 22.525 13 HG SER 3 HG SER 3 -16.986 15.154 21.652 14 H GLY 4 H GLY 4 -19.850 10.854 20.789 15 HA2 GLY 4 1HA GLY 4 -22.670 11.685 20.950 16 HA3 GLY 4 2HA GLY 4 -22.044 11.016 19.450 17 H SER 5 H SER 5 -22.910 10.330 22.765 18 HA SER 5 HA SER 5 -22.123 7.734 23.101 19 HB2 SER 5 1HB SER 5 -24.518 9.269 24.018 20 HB3 SER 5 2HB SER 5 -24.472 7.530 24.309 21 HG SER 5 HG SER 5 -22.701 9.524 25.239 22 H SER 6 H SER 6 -25.152 8.798 21.557 23 HA SER 6 HA SER 6 -25.574 6.088 20.546 24 HB2 SER 6 1HB SER 6 -27.390 7.632 21.632 25 HB3 SER 6 2HB SER 6 -27.453 8.371 20.032 26 HG SER 6 HG SER 6 -28.947 6.603 20.361 27 H GLY 7 H GLY 7 -26.286 5.842 18.265 28 HA2 GLY 7 1HA GLY 7 -26.294 7.199 16.092 29 HA3 GLY 7 2HA GLY 7 -24.634 7.565 16.537 30 HA PRO 8 HA PRO 8 -25.004 2.859 15.328 31 HB2 PRO 8 1HB PRO 8 -27.030 2.339 13.598 32 HB3 PRO 8 2HB PRO 8 -27.204 2.198 15.352 33 HG2 PRO 8 1HG PRO 8 -28.031 4.433 13.539 34 HG3 PRO 8 2HG PRO 8 -28.914 3.706 14.895 35 HD2 PRO 8 1HD PRO 8 -27.572 6.046 15.119 36 HD3 PRO 8 2HD PRO 8 -27.737 4.907 16.470 37 H ARG 9 H ARG 9 -24.915 5.704 13.675 38 HA ARG 9 HA ARG 9 -24.763 5.197 10.997 39 HB2 ARG 9 1HB ARG 9 -24.391 7.404 12.188 40 HB3 ARG 9 2HB ARG 9 -22.730 6.889 12.447 41 HG2 ARG 9 1HG ARG 9 -22.251 6.916 10.143 42 HG3 ARG 9 2HG ARG 9 -23.960 7.026 9.713 43 HD2 ARG 9 1HD ARG 9 -23.330 9.209 9.435 44 HD3 ARG 9 2HD ARG 9 -23.832 9.241 11.125 45 HE ARG 9 HE ARG 9 -21.096 8.626 10.994 46 HH11 ARG 9 2HH1 ARG 9 -23.278 11.278 10.425 47 HH12 ARG 9 1HH1 ARG 9 -22.099 12.496 10.782 48 HH21 ARG 9 2HH2 ARG 9 -19.534 10.220 11.466 49 HH22 ARG 9 1HH2 ARG 9 -19.969 11.893 11.373 50 H THR 10 H THR 10 -23.760 3.640 9.922 51 HA THR 10 HA THR 10 -20.953 3.073 10.524 52 HB THR 10 HB THR 10 -21.467 0.593 10.162 53 HG1 THR 10 1HG THR 10 -23.729 0.197 11.026 54 HG21 THR 10 1HG2 THR 10 -21.962 0.230 12.515 55 HG22 THR 10 2HG2 THR 10 -22.527 1.893 12.674 56 HG23 THR 10 3HG2 THR 10 -20.827 1.567 12.337 57 H VAL 11 H VAL 11 -19.735 2.428 8.768 58 HA VAL 11 HA VAL 11 -21.030 2.789 6.166 59 HB VAL 11 HB VAL 11 -18.810 3.122 5.253 60 HG11 VAL 11 1HG1 VAL 11 -18.881 4.714 7.796 61 HG12 VAL 11 2HG1 VAL 11 -18.357 5.218 6.188 62 HG13 VAL 11 3HG1 VAL 11 -20.071 4.958 6.518 63 HG21 VAL 11 1HG2 VAL 11 -16.808 2.940 6.503 64 HG22 VAL 11 2HG2 VAL 11 -17.687 2.758 8.022 65 HG23 VAL 11 3HG2 VAL 11 -17.722 1.465 6.823 66 H LYS 12 H LYS 12 -19.976 1.452 4.353 67 HA LYS 12 HA LYS 12 -20.441 -1.306 4.943 68 HB2 LYS 12 1HB LYS 12 -19.738 0.268 2.503 69 HB3 LYS 12 2HB LYS 12 -19.511 -1.476 2.475 70 HG2 LYS 12 1HG LYS 12 -21.945 -1.597 3.291 71 HG3 LYS 12 2HG LYS 12 -22.047 0.086 2.768 72 HD2 LYS 12 1HD LYS 12 -22.739 -1.028 0.872 73 HD3 LYS 12 2HD LYS 12 -21.013 -0.838 0.555 74 HE2 LYS 12 1HE LYS 12 -21.464 -3.072 0.021 75 HE3 LYS 12 2HE LYS 12 -20.743 -3.140 1.628 76 HZ1 LYS 12 1HZ LYS 12 -22.590 -4.543 1.724 77 HZ2 LYS 12 2HZ LYS 12 -23.586 -3.466 0.883 78 HZ3 LYS 12 3HZ LYS 12 -23.119 -3.120 2.471 79 H GLU 13 H GLU 13 -19.029 -2.880 5.401 80 HA GLU 13 HA GLU 13 -16.293 -2.206 5.922 81 HB2 GLU 13 1HB GLU 13 -16.094 -4.594 6.590 82 HB3 GLU 13 2HB GLU 13 -17.401 -3.746 7.404 83 HG2 GLU 13 1HG GLU 13 -19.002 -4.735 5.826 84 HG3 GLU 13 2HG GLU 13 -17.681 -5.620 5.066 85 H LEU 14 H LEU 14 -14.782 -2.112 4.408 86 HA LEU 14 HA LEU 14 -15.057 -3.778 2.008 87 HB2 LEU 14 1HB LEU 14 -13.114 -1.520 2.378 88 HB3 LEU 14 2HB LEU 14 -13.682 -2.240 0.873 89 HG LEU 14 HG LEU 14 -15.466 -0.661 2.716 90 HD11 LEU 14 1HD1 LEU 14 -13.321 0.412 1.425 91 HD12 LEU 14 2HD1 LEU 14 -14.797 1.284 1.837 92 HD13 LEU 14 3HD1 LEU 14 -14.598 0.601 0.224 93 HD21 LEU 14 1HD2 LEU 14 -16.297 -0.495 0.061 94 HD22 LEU 14 2HD2 LEU 14 -17.042 -1.435 1.354 95 HD23 LEU 14 3HD2 LEU 14 -15.844 -2.184 0.296 96 H THR 15 H THR 15 -13.422 -5.124 1.312 97 HA THR 15 HA THR 15 -11.470 -5.859 3.366 98 HB THR 15 HB THR 15 -12.185 -7.370 0.847 99 HG1 THR 15 1HG THR 15 -13.018 -8.177 3.405 100 HG21 THR 15 1HG2 THR 15 -11.045 -8.636 3.288 101 HG22 THR 15 2HG2 THR 15 -9.962 -7.716 2.245 102 HG23 THR 15 3HG2 THR 15 -10.862 -9.085 1.593 103 H VAL 16 H VAL 16 -9.888 -4.289 3.058 104 HA VAL 16 HA VAL 16 -8.696 -3.971 0.424 105 HB VAL 16 HB VAL 16 -8.051 -2.659 3.067 106 HG11 VAL 16 1HG1 VAL 16 -6.044 -2.797 1.719 107 HG12 VAL 16 2HG1 VAL 16 -6.905 -2.143 0.325 108 HG13 VAL 16 3HG1 VAL 16 -6.634 -1.136 1.748 109 HG21 VAL 16 1HG2 VAL 16 -8.903 -0.638 1.678 110 HG22 VAL 16 2HG2 VAL 16 -9.672 -1.871 0.679 111 HG23 VAL 16 3HG2 VAL 16 -10.071 -1.749 2.392 112 H SER 17 H SER 17 -6.775 -4.783 -0.212 113 HA SER 17 HA SER 17 -4.928 -5.922 1.712 114 HB2 SER 17 1HB SER 17 -6.620 -7.729 1.154 115 HB3 SER 17 2HB SER 17 -6.000 -7.685 -0.496 116 HG SER 17 HG SER 17 -4.548 -9.017 0.216 117 H ALA 18 H ALA 18 -2.899 -5.567 1.082 118 HA ALA 18 HA ALA 18 -2.392 -4.350 -1.474 119 HB1 ALA 18 1HB ALA 18 0.054 -4.545 -0.522 120 HB2 ALA 18 2HB ALA 18 -1.085 -3.360 0.121 121 HB3 ALA 18 3HB ALA 18 -0.801 -4.870 0.986 122 H GLY 19 H GLY 19 -1.645 -7.433 0.088 123 HA2 GLY 19 1HA GLY 19 -1.735 -9.170 -1.899 124 HA3 GLY 19 2HA GLY 19 -0.232 -8.352 -2.301 125 H ASP 20 H ASP 20 1.489 -8.388 -0.682 126 HA ASP 20 HA ASP 20 1.418 -10.033 1.597 127 HB2 ASP 20 1HB ASP 20 1.182 -11.769 -0.241 128 HB3 ASP 20 2HB ASP 20 2.821 -11.349 -0.730 129 H ASN 21 H ASN 21 3.608 -10.420 2.498 130 HA ASN 21 HA ASN 21 5.157 -8.112 2.466 131 HB2 ASN 21 1HB ASN 21 6.802 -9.370 3.749 132 HB3 ASN 21 2HB ASN 21 5.178 -9.780 4.294 133 HD21 ASN 21 1HD2 ASN 21 4.406 -11.827 4.005 134 HD22 ASN 21 2HD2 ASN 21 5.383 -13.139 3.448 135 H LEU 22 H LEU 22 6.802 -7.387 1.254 136 HA LEU 22 HA LEU 22 7.824 -9.169 -0.858 137 HB2 LEU 22 1HB LEU 22 7.732 -6.160 -0.924 138 HB3 LEU 22 2HB LEU 22 8.143 -7.247 -2.249 139 HG LEU 22 HG LEU 22 6.000 -6.565 -2.787 140 HD11 LEU 22 1HD1 LEU 22 4.598 -8.472 -2.575 141 HD12 LEU 22 2HD1 LEU 22 5.432 -9.002 -1.115 142 HD13 LEU 22 3HD1 LEU 22 6.260 -9.056 -2.671 143 HD21 LEU 22 1HD2 LEU 22 5.269 -6.845 0.126 144 HD22 LEU 22 2HD2 LEU 22 4.159 -6.387 -1.166 145 HD23 LEU 22 3HD2 LEU 22 5.515 -5.336 -0.754 146 H ILE 23 H ILE 23 10.023 -9.185 -1.306 147 HA ILE 23 HA ILE 23 11.751 -7.699 0.554 148 HB ILE 23 HB ILE 23 12.185 -10.577 -0.249 149 HG12 ILE 23 1HG1 ILE 23 11.378 -9.481 2.451 150 HG13 ILE 23 2HG1 ILE 23 10.257 -10.222 1.314 151 HG21 ILE 23 1HG2 ILE 23 13.879 -10.398 1.659 152 HG22 ILE 23 2HG2 ILE 23 14.289 -9.630 0.127 153 HG23 ILE 23 3HG2 ILE 23 13.709 -8.653 1.475 154 HD11 ILE 23 1HD1 ILE 23 11.598 -12.300 1.434 155 HD12 ILE 23 2HD1 ILE 23 12.584 -11.542 2.684 156 HD13 ILE 23 3HD1 ILE 23 10.868 -11.831 2.969 157 H ILE 24 H ILE 24 13.475 -6.739 -0.350 158 HA ILE 24 HA ILE 24 14.200 -7.499 -3.102 159 HB ILE 24 HB ILE 24 14.853 -4.921 -3.182 160 HG12 ILE 24 1HG1 ILE 24 12.373 -4.911 -1.456 161 HG13 ILE 24 2HG1 ILE 24 13.989 -4.600 -0.833 162 HG21 ILE 24 1HG2 ILE 24 13.328 -6.252 -4.680 163 HG22 ILE 24 2HG2 ILE 24 12.003 -5.777 -3.619 164 HG23 ILE 24 3HG2 ILE 24 12.915 -4.548 -4.495 165 HD11 ILE 24 1HD1 ILE 24 12.682 -2.556 -1.283 166 HD12 ILE 24 2HD1 ILE 24 14.190 -2.637 -2.193 167 HD13 ILE 24 3HD1 ILE 24 12.658 -2.986 -2.993 168 H THR 25 H THR 25 16.391 -6.621 -3.725 169 HA THR 25 HA THR 25 18.222 -6.426 -1.441 170 HB THR 25 HB THR 25 18.643 -8.301 -3.778 171 HG1 THR 25 1HG THR 25 18.069 -9.879 -2.427 172 HG21 THR 25 1HG2 THR 25 20.809 -7.906 -3.283 173 HG22 THR 25 2HG2 THR 25 20.498 -8.962 -1.905 174 HG23 THR 25 3HG2 THR 25 20.426 -7.211 -1.709 175 H LEU 26 H LEU 26 19.944 -5.094 -1.748 176 HA LEU 26 HA LEU 26 19.851 -3.154 -3.759 177 HB2 LEU 26 1HB LEU 26 22.001 -3.999 -1.843 178 HB3 LEU 26 2HB LEU 26 22.254 -2.693 -3.000 179 HG LEU 26 HG LEU 26 20.110 -2.723 -0.877 180 HD11 LEU 26 1HD1 LEU 26 22.112 -2.528 0.309 181 HD12 LEU 26 2HD1 LEU 26 21.589 -0.862 0.065 182 HD13 LEU 26 3HD1 LEU 26 22.866 -1.542 -0.944 183 HD21 LEU 26 1HD2 LEU 26 20.907 -0.173 -2.013 184 HD22 LEU 26 2HD2 LEU 26 19.297 -0.860 -1.792 185 HD23 LEU 26 3HD2 LEU 26 20.244 -1.271 -3.223 186 HA PRO 27 HA PRO 27 21.598 -1.740 -4.613 187 HB2 PRO 27 1HB PRO 27 21.428 -0.849 -7.172 188 HB3 PRO 27 2HB PRO 27 22.966 -1.232 -6.388 189 HG2 PRO 27 1HG PRO 27 21.342 -2.886 -8.282 190 HG3 PRO 27 2HG PRO 27 23.096 -2.631 -8.241 191 HD2 PRO 27 1HD PRO 27 21.925 -4.862 -7.249 192 HD3 PRO 27 2HD PRO 27 23.408 -4.173 -6.557 193 H ASP 28 H ASP 28 19.571 -3.778 -6.579 194 HA ASP 28 HA ASP 28 17.468 -2.153 -7.252 195 HB2 ASP 28 1HB ASP 28 17.618 -5.039 -6.455 196 HB3 ASP 28 2HB ASP 28 16.048 -4.298 -6.752 197 H ASN 29 H ASN 29 16.917 -0.568 -5.815 198 HA ASN 29 HA ASN 29 15.830 -1.459 -3.225 199 HB2 ASN 29 1HB ASN 29 16.237 0.962 -2.528 200 HB3 ASN 29 2HB ASN 29 17.667 -0.042 -2.749 201 HD21 ASN 29 1HD2 ASN 29 18.669 2.115 -2.893 202 HD22 ASN 29 2HD2 ASN 29 18.733 2.880 -4.441 203 H GLU 30 H GLU 30 14.552 -1.202 -5.939 204 HA GLU 30 HA GLU 30 12.470 0.764 -5.249 205 HB2 GLU 30 1HB GLU 30 13.060 -0.394 -7.977 206 HB3 GLU 30 2HB GLU 30 11.945 0.912 -7.602 207 HG2 GLU 30 1HG GLU 30 13.892 2.247 -6.804 208 HG3 GLU 30 2HG GLU 30 14.944 0.966 -7.400 209 H VAL 31 H VAL 31 10.391 0.124 -5.045 210 HA VAL 31 HA VAL 31 9.634 -2.578 -5.871 211 HB VAL 31 HB VAL 31 10.219 -3.037 -3.635 212 HG11 VAL 31 1HG1 VAL 31 8.979 -0.379 -3.041 213 HG12 VAL 31 2HG1 VAL 31 9.149 -1.592 -1.771 214 HG13 VAL 31 3HG1 VAL 31 10.577 -0.987 -2.612 215 HG21 VAL 31 1HG2 VAL 31 7.258 -2.483 -3.774 216 HG22 VAL 31 2HG2 VAL 31 8.081 -3.981 -4.208 217 HG23 VAL 31 3HG2 VAL 31 8.035 -3.456 -2.525 218 H GLU 32 H GLU 32 7.503 -2.800 -6.426 219 HA GLU 32 HA GLU 32 5.862 -0.358 -6.257 220 HB2 GLU 32 1HB GLU 32 6.388 -0.759 -8.548 221 HB3 GLU 32 2HB GLU 32 6.021 -2.471 -8.402 222 HG2 GLU 32 1HG GLU 32 3.747 -2.130 -8.444 223 HG3 GLU 32 2HG GLU 32 3.880 -0.463 -7.886 224 H LEU 33 H LEU 33 4.222 -0.535 -4.894 225 HA LEU 33 HA LEU 33 3.091 -3.197 -4.367 226 HB2 LEU 33 1HB LEU 33 2.575 -0.767 -2.695 227 HB3 LEU 33 2HB LEU 33 2.467 -2.467 -2.243 228 HG LEU 33 HG LEU 33 5.138 -1.357 -2.950 229 HD11 LEU 33 1HD1 LEU 33 3.465 -0.391 -0.768 230 HD12 LEU 33 2HD1 LEU 33 4.963 0.265 -1.428 231 HD13 LEU 33 3HD1 LEU 33 5.020 -1.029 -0.231 232 HD21 LEU 33 1HD2 LEU 33 5.414 -3.547 -2.439 233 HD22 LEU 33 2HD2 LEU 33 3.988 -3.602 -1.402 234 HD23 LEU 33 3HD2 LEU 33 5.491 -2.900 -0.800 235 H LYS 34 H LYS 34 0.786 -3.399 -4.123 236 HA LYS 34 HA LYS 34 -0.822 -1.262 -5.311 237 HB2 LYS 34 1HB LYS 34 -0.079 -2.967 -7.068 238 HB3 LYS 34 2HB LYS 34 -1.120 -4.115 -6.237 239 HG2 LYS 34 1HG LYS 34 -3.041 -3.078 -6.912 240 HG3 LYS 34 2HG LYS 34 -2.268 -1.498 -7.056 241 HD2 LYS 34 1HD LYS 34 -2.537 -2.033 -9.271 242 HD3 LYS 34 2HD LYS 34 -0.927 -2.694 -8.978 243 HE2 LYS 34 1HE LYS 34 -3.292 -4.441 -8.513 244 HE3 LYS 34 2HE LYS 34 -2.807 -4.109 -10.175 245 HZ1 LYS 34 1HZ LYS 34 -1.229 -5.425 -8.045 246 HZ2 LYS 34 2HZ LYS 34 -0.513 -4.827 -9.456 247 HZ3 LYS 34 3HZ LYS 34 -1.677 -6.050 -9.552 248 H ALA 35 H ALA 35 -2.867 -1.114 -4.509 249 HA ALA 35 HA ALA 35 -3.507 -2.902 -2.280 250 HB1 ALA 35 1HB ALA 35 -3.527 -0.226 -2.342 251 HB2 ALA 35 2HB ALA 35 -5.198 -0.538 -2.813 252 HB3 ALA 35 3HB ALA 35 -4.578 -1.173 -1.289 253 H PHE 36 H PHE 36 -5.429 -4.023 -2.128 254 HA PHE 36 HA PHE 36 -7.154 -4.010 -4.513 255 HB2 PHE 36 1HB PHE 36 -6.026 -6.387 -3.036 256 HB3 PHE 36 2HB PHE 36 -7.425 -6.512 -4.098 257 HD1 PHE 36 1HD PHE 36 -6.700 -4.763 -6.314 258 HD2 PHE 36 2HD PHE 36 -4.313 -7.507 -4.103 259 HE1 PHE 36 1HE PHE 36 -5.206 -5.020 -8.252 260 HE2 PHE 36 2HE PHE 36 -2.815 -7.768 -6.038 261 HZ PHE 36 HZ PHE 36 -3.260 -6.523 -8.116 262 H VAL 37 H VAL 37 -9.124 -3.386 -3.958 263 HA VAL 37 HA VAL 37 -10.170 -4.200 -1.323 264 HB VAL 37 HB VAL 37 -9.834 -1.812 -1.314 265 HG11 VAL 37 1HG1 VAL 37 -10.102 -0.492 -3.088 266 HG12 VAL 37 2HG1 VAL 37 -10.385 -1.959 -4.027 267 HG13 VAL 37 3HG1 VAL 37 -11.749 -1.065 -3.355 268 HG21 VAL 37 1HG2 VAL 37 -11.941 -2.846 -0.346 269 HG22 VAL 37 2HG2 VAL 37 -11.986 -1.110 -0.655 270 HG23 VAL 37 3HG2 VAL 37 -12.777 -2.225 -1.770 271 H ALA 38 H ALA 38 -12.138 -5.147 -1.249 272 HA ALA 38 HA ALA 38 -13.704 -5.266 -3.739 273 HB1 ALA 38 1HB ALA 38 -13.311 -7.442 -3.909 274 HB2 ALA 38 2HB ALA 38 -12.392 -7.432 -2.403 275 HB3 ALA 38 3HB ALA 38 -14.137 -7.681 -2.369 276 HA PRO 39 HA PRO 39 -15.615 -6.273 -4.356 277 HB2 PRO 39 1HB PRO 39 -17.757 -4.822 -5.180 278 HB3 PRO 39 2HB PRO 39 -17.911 -6.348 -4.301 279 HG2 PRO 39 1HG PRO 39 -18.109 -3.543 -3.275 280 HG3 PRO 39 2HG PRO 39 -19.124 -4.946 -2.897 281 HD2 PRO 39 1HD PRO 39 -17.154 -4.086 -1.250 282 HD3 PRO 39 2HD PRO 39 -17.602 -5.799 -1.390 283 H ALA 40 H ALA 40 -14.988 -5.344 -6.310 284 HA ALA 40 HA ALA 40 -13.506 -2.921 -6.120 285 HB1 ALA 40 1HB ALA 40 -13.097 -3.272 -8.549 286 HB2 ALA 40 2HB ALA 40 -12.703 -4.670 -7.548 287 HB3 ALA 40 3HB ALA 40 -14.195 -4.651 -8.489 288 HA PRO 41 HA PRO 41 -16.616 0.014 -7.183 289 HB2 PRO 41 1HB PRO 41 -15.009 2.015 -8.068 290 HB3 PRO 41 2HB PRO 41 -15.178 1.605 -6.357 291 HG2 PRO 41 1HG PRO 41 -13.018 0.841 -8.284 292 HG3 PRO 41 2HG PRO 41 -12.876 1.383 -6.602 293 HD2 PRO 41 1HD PRO 41 -12.712 -1.225 -7.310 294 HD3 PRO 41 2HD PRO 41 -13.388 -0.699 -5.755 295 HA PRO 42 HA PRO 42 -17.439 -0.326 -11.494 296 HB2 PRO 42 1HB PRO 42 -18.933 1.906 -11.893 297 HB3 PRO 42 2HB PRO 42 -19.536 0.488 -11.027 298 HG2 PRO 42 1HG PRO 42 -18.441 3.051 -9.935 299 HG3 PRO 42 2HG PRO 42 -19.854 2.122 -9.403 300 HD2 PRO 42 1HD PRO 42 -17.470 2.007 -8.125 301 HD3 PRO 42 2HD PRO 42 -18.575 0.620 -8.210 302 H VAL 43 H VAL 43 -17.605 1.332 -13.490 303 HA VAL 43 HA VAL 43 -14.937 2.249 -13.911 304 HB VAL 43 HB VAL 43 -16.072 1.365 -15.803 305 HG11 VAL 43 1HG1 VAL 43 -18.222 3.353 -15.133 306 HG12 VAL 43 2HG1 VAL 43 -18.111 2.584 -16.717 307 HG13 VAL 43 3HG1 VAL 43 -18.351 1.600 -15.273 308 HG21 VAL 43 1HG2 VAL 43 -14.592 3.383 -16.122 309 HG22 VAL 43 2HG2 VAL 43 -15.740 3.065 -17.423 310 HG23 VAL 43 3HG2 VAL 43 -16.066 4.342 -16.251 311 H GLU 44 H GLU 44 -17.913 3.744 -12.925 312 HA GLU 44 HA GLU 44 -16.919 6.432 -13.401 313 HB2 GLU 44 1HB GLU 44 -19.485 5.453 -12.138 314 HB3 GLU 44 2HB GLU 44 -19.098 7.140 -12.446 315 HG2 GLU 44 1HG GLU 44 -19.002 5.216 -14.711 316 HG3 GLU 44 2HG GLU 44 -20.571 5.752 -14.111 317 H THR 45 H THR 45 -18.356 4.890 -10.526 318 HA THR 45 HA THR 45 -17.104 6.696 -8.727 319 HB THR 45 HB THR 45 -18.248 3.990 -8.026 320 HG1 THR 45 1HG THR 45 -20.167 4.794 -8.408 321 HG21 THR 45 1HG2 THR 45 -17.260 6.284 -6.516 322 HG22 THR 45 2HG2 THR 45 -17.564 4.629 -5.988 323 HG23 THR 45 3HG2 THR 45 -18.887 5.793 -6.047 324 H THR 46 H THR 46 -15.392 6.382 -7.311 325 HA THR 46 HA THR 46 -13.849 3.932 -7.414 326 HB THR 46 HB THR 46 -12.978 5.154 -9.360 327 HG1 THR 46 1HG THR 46 -10.955 4.647 -8.834 328 HG21 THR 46 1HG2 THR 46 -12.184 7.311 -9.312 329 HG22 THR 46 2HG2 THR 46 -11.825 7.255 -7.586 330 HG23 THR 46 3HG2 THR 46 -13.491 7.430 -8.135 331 H TYR 47 H TYR 47 -12.210 3.821 -5.786 332 HA TYR 47 HA TYR 47 -12.805 5.556 -3.510 333 HB2 TYR 47 1HB TYR 47 -11.103 3.062 -3.532 334 HB3 TYR 47 2HB TYR 47 -11.800 3.870 -2.132 335 HD1 TYR 47 2HD TYR 47 -14.568 4.343 -3.147 336 HD2 TYR 47 1HD TYR 47 -12.052 0.922 -3.412 337 HE1 TYR 47 2HE TYR 47 -16.555 2.901 -3.300 338 HE2 TYR 47 1HE TYR 47 -14.032 -0.530 -3.566 339 HH TYR 47 HH TYR 47 -16.416 -0.323 -4.261 340 H ASN 48 H ASN 48 -10.803 5.902 -2.024 341 HA ASN 48 HA ASN 48 -8.623 6.938 -3.714 342 HB2 ASN 48 1HB ASN 48 -10.204 8.488 -2.255 343 HB3 ASN 48 2HB ASN 48 -9.101 8.008 -0.968 344 HD21 ASN 48 1HD2 ASN 48 -9.164 9.336 -4.242 345 HD22 ASN 48 2HD2 ASN 48 -7.770 10.340 -4.050 346 H TYR 49 H TYR 49 -6.570 6.354 -3.281 347 HA TYR 49 HA TYR 49 -6.157 4.508 -1.029 348 HB2 TYR 49 1HB TYR 49 -4.426 4.825 -3.486 349 HB3 TYR 49 2HB TYR 49 -4.338 3.546 -2.280 350 HD1 TYR 49 2HD TYR 49 -6.387 4.925 -5.030 351 HD2 TYR 49 1HD TYR 49 -5.737 1.632 -2.416 352 HE1 TYR 49 2HE TYR 49 -7.936 3.563 -6.370 353 HE2 TYR 49 1HE TYR 49 -7.283 0.260 -3.749 354 HH TYR 49 HH TYR 49 -8.080 0.362 -6.324 355 H GLU 50 H GLU 50 -5.287 5.476 0.679 356 HA GLU 50 HA GLU 50 -3.205 7.512 0.227 357 HB2 GLU 50 1HB GLU 50 -5.122 8.495 1.311 358 HB3 GLU 50 2HB GLU 50 -5.159 7.209 2.509 359 HG2 GLU 50 1HG GLU 50 -3.304 8.020 3.631 360 HG3 GLU 50 2HG GLU 50 -2.751 8.956 2.243 361 H TRP 51 H TRP 51 -1.295 6.519 0.421 362 HA TRP 51 HA TRP 51 -0.920 4.398 2.373 363 HB2 TRP 51 1HB TRP 51 0.944 5.578 0.304 364 HB3 TRP 51 2HB TRP 51 1.360 4.238 1.369 365 HD1 TRP 51 HD TRP 51 -0.935 5.091 -1.596 366 HE1 TRP 51 1HE TRP 51 -1.625 2.894 -2.745 367 HE3 TRP 51 3HE TRP 51 1.082 1.769 1.725 368 HZ2 TRP 51 2HZ TRP 51 -1.352 0.119 -2.302 369 HZ3 TRP 51 3HZ TRP 51 0.823 -0.639 1.290 370 HH2 TRP 51 HH TRP 51 -0.369 -1.444 -0.682 371 H ASN 52 H ASN 52 0.669 4.444 4.014 372 HA ASN 52 HA ASN 52 2.049 6.906 4.614 373 HB2 ASN 52 1HB ASN 52 -0.324 5.984 6.208 374 HB3 ASN 52 2HB ASN 52 0.982 6.869 6.991 375 HD21 ASN 52 1HD2 ASN 52 -1.861 7.101 5.226 376 HD22 ASN 52 2HD2 ASN 52 -1.801 8.790 4.865 377 H LEU 53 H LEU 53 3.836 6.570 5.847 378 HA LEU 53 HA LEU 53 4.540 3.823 6.409 379 HB2 LEU 53 1HB LEU 53 6.092 5.519 5.387 380 HB3 LEU 53 2HB LEU 53 6.156 6.302 6.965 381 HG LEU 53 HG LEU 53 7.146 4.267 7.920 382 HD11 LEU 53 1HD1 LEU 53 6.254 2.550 6.550 383 HD12 LEU 53 2HD1 LEU 53 7.999 2.547 6.299 384 HD13 LEU 53 3HD1 LEU 53 6.936 3.267 5.090 385 HD21 LEU 53 1HD2 LEU 53 9.085 5.236 7.461 386 HD22 LEU 53 2HD2 LEU 53 8.348 6.082 6.100 387 HD23 LEU 53 3HD2 LEU 53 9.084 4.497 5.859 388 H ILE 54 H ILE 54 4.405 2.849 8.321 389 HA ILE 54 HA ILE 54 4.007 4.526 10.713 390 HB ILE 54 HB ILE 54 2.869 2.382 11.619 391 HG12 ILE 54 1HG1 ILE 54 2.776 1.926 8.634 392 HG13 ILE 54 2HG1 ILE 54 3.414 0.841 9.865 393 HG21 ILE 54 1HG2 ILE 54 0.697 3.106 10.664 394 HG22 ILE 54 2HG2 ILE 54 1.671 4.437 11.285 395 HG23 ILE 54 3HG2 ILE 54 1.578 4.150 9.548 396 HD11 ILE 54 1HD1 ILE 54 1.409 -0.147 9.463 397 HD12 ILE 54 2HD1 ILE 54 0.936 0.961 10.752 398 HD13 ILE 54 3HD1 ILE 54 0.610 1.375 9.069 399 H SER 55 H SER 55 5.301 1.438 9.535 400 HA SER 55 HA SER 55 7.063 1.352 11.892 401 HB2 SER 55 1HB SER 55 5.446 -0.595 11.343 402 HB3 SER 55 2HB SER 55 6.580 -0.978 10.047 403 HG SER 55 HG SER 55 7.659 -0.545 12.572 404 H HIS 56 H HIS 56 9.151 1.747 11.607 405 HA HIS 56 HA HIS 56 10.642 0.849 9.368 406 HB2 HIS 56 1HB HIS 56 11.234 3.014 8.392 407 HB3 HIS 56 2HB HIS 56 9.501 2.730 8.269 408 HD1 HIS 56 1HD HIS 56 12.021 4.932 9.914 409 HD2 HIS 56 2HD HIS 56 7.896 4.453 9.801 410 HE1 HIS 56 1HE HIS 56 11.074 6.999 10.989 411 HE2 HIS 56 2HE HIS 56 8.580 6.648 10.986 412 HA PRO 57 HA PRO 57 13.876 1.341 12.299 413 HB2 PRO 57 1HB PRO 57 16.026 1.444 10.645 414 HB3 PRO 57 2HB PRO 57 15.123 -0.044 10.955 415 HG2 PRO 57 1HG PRO 57 14.941 1.832 8.629 416 HG3 PRO 57 2HG PRO 57 14.951 0.059 8.639 417 HD2 PRO 57 1HD PRO 57 12.674 1.500 8.384 418 HD3 PRO 57 2HD PRO 57 12.719 -0.077 9.197 419 H THR 58 H THR 58 15.848 2.732 12.750 420 HA THR 58 HA THR 58 15.083 5.497 12.481 421 HB THR 58 HB THR 58 16.133 4.388 14.557 422 HG1 THR 58 1HG THR 58 15.915 6.775 13.928 423 HG21 THR 58 1HG2 THR 58 18.093 3.558 13.041 424 HG22 THR 58 2HG2 THR 58 18.426 4.103 14.685 425 HG23 THR 58 3HG2 THR 58 18.741 5.174 13.321 426 H ASP 59 H ASP 59 17.371 3.336 11.013 427 HA ASP 59 HA ASP 59 19.206 5.201 9.996 428 HB2 ASP 59 1HB ASP 59 19.362 2.633 10.041 429 HB3 ASP 59 2HB ASP 59 18.424 2.677 8.551 430 H TYR 60 H TYR 60 16.032 4.234 8.924 431 HA TYR 60 HA TYR 60 16.299 5.553 6.359 432 HB2 TYR 60 1HB TYR 60 14.914 3.450 6.807 433 HB3 TYR 60 2HB TYR 60 13.744 4.515 7.579 434 HD1 TYR 60 1HD TYR 60 15.576 4.037 4.367 435 HD2 TYR 60 2HD TYR 60 12.091 5.531 6.296 436 HE1 TYR 60 1HE TYR 60 14.572 4.512 2.172 437 HE2 TYR 60 2HE TYR 60 11.077 6.010 4.107 438 HH TYR 60 HH TYR 60 11.268 5.763 1.896 439 H GLN 61 H GLN 61 15.569 7.537 5.827 440 HA GLN 61 HA GLN 61 14.879 9.341 7.954 441 HB2 GLN 61 1HB GLN 61 15.228 9.686 4.981 442 HB3 GLN 61 2HB GLN 61 14.719 11.004 6.027 443 HG2 GLN 61 1HG GLN 61 16.765 10.961 7.224 444 HG3 GLN 61 2HG GLN 61 17.252 9.449 6.459 445 HE21 GLN 61 1HE2 GLN 61 17.127 12.863 6.203 446 HE22 GLN 61 2HE2 GLN 61 17.955 13.006 4.694 447 H GLY 62 H GLY 62 13.262 8.487 4.884 448 HA2 GLY 62 1HA GLY 62 10.890 7.730 5.153 449 HA3 GLY 62 2HA GLY 62 10.697 9.123 6.207 450 H GLU 63 H GLU 63 10.807 7.991 2.952 451 HA GLU 63 HA GLU 63 9.887 10.621 2.045 452 HB2 GLU 63 1HB GLU 63 11.954 8.980 0.571 453 HB3 GLU 63 2HB GLU 63 11.282 10.519 0.051 454 HG2 GLU 63 1HG GLU 63 12.437 11.716 1.667 455 HG3 GLU 63 2HG GLU 63 12.714 10.290 2.665 456 H ILE 64 H ILE 64 7.842 10.142 1.521 457 HA ILE 64 HA ILE 64 7.392 8.222 -0.615 458 HB ILE 64 HB ILE 64 5.754 8.050 1.912 459 HG12 ILE 64 1HG1 ILE 64 7.840 6.091 0.935 460 HG13 ILE 64 2HG1 ILE 64 8.124 7.272 2.209 461 HG21 ILE 64 1HG2 ILE 64 5.661 6.768 -0.756 462 HG22 ILE 64 2HG2 ILE 64 5.290 5.757 0.640 463 HG23 ILE 64 3HG2 ILE 64 4.349 7.217 0.334 464 HD11 ILE 64 1HD1 ILE 64 5.753 5.644 2.657 465 HD12 ILE 64 2HD1 ILE 64 7.248 4.712 2.568 466 HD13 ILE 64 3HD1 ILE 64 7.096 6.024 3.736 467 H LYS 65 H LYS 65 5.268 8.433 -1.595 468 HA LYS 65 HA LYS 65 4.177 11.142 -1.229 469 HB2 LYS 65 1HB LYS 65 4.245 9.334 -3.645 470 HB3 LYS 65 2HB LYS 65 3.292 10.810 -3.576 471 HG2 LYS 65 1HG LYS 65 5.498 11.979 -3.000 472 HG3 LYS 65 2HG LYS 65 6.271 10.498 -3.572 473 HD2 LYS 65 1HD LYS 65 4.211 11.843 -5.269 474 HD3 LYS 65 2HD LYS 65 5.854 12.486 -5.217 475 HE2 LYS 65 1HE LYS 65 5.888 11.010 -7.023 476 HE3 LYS 65 2HE LYS 65 6.598 10.079 -5.705 477 HZ1 LYS 65 1HZ LYS 65 3.709 9.882 -6.090 478 HZ2 LYS 65 2HZ LYS 65 4.815 8.704 -5.592 479 HZ3 LYS 65 3HZ LYS 65 4.694 9.112 -7.229 480 H GLN 66 H GLN 66 3.409 8.871 0.388 481 HA GLN 66 HA GLN 66 1.583 7.641 1.041 482 HB2 GLN 66 1HB GLN 66 0.322 10.259 0.213 483 HB3 GLN 66 2HB GLN 66 -0.487 9.033 1.179 484 HG2 GLN 66 1HG GLN 66 0.791 9.450 3.035 485 HG3 GLN 66 2HG GLN 66 2.139 10.090 2.096 486 HE21 GLN 66 1HE2 GLN 66 1.670 11.584 4.107 487 HE22 GLN 66 2HE2 GLN 66 0.740 12.991 3.732 488 H GLY 67 H GLY 67 2.326 7.374 -1.815 489 HA2 GLY 67 1HA GLY 67 1.392 6.729 -3.853 490 HA3 GLY 67 2HA GLY 67 0.642 5.555 -2.782 491 H HIS 68 H HIS 68 0.209 8.839 -4.067 492 HA HIS 68 HA HIS 68 -2.445 9.220 -3.355 493 HB2 HIS 68 1HB HIS 68 -1.109 10.176 -5.895 494 HB3 HIS 68 2HB HIS 68 -2.546 10.869 -5.148 495 HD1 HIS 68 1HD HIS 68 -1.831 11.387 -2.352 496 HD2 HIS 68 2HD HIS 68 0.952 11.835 -5.404 497 HE1 HIS 68 1HE HIS 68 -0.077 12.941 -1.440 498 HE2 HIS 68 2HE HIS 68 1.552 13.264 -3.334 499 H LYS 69 H LYS 69 -1.148 6.951 -5.498 500 HA LYS 69 HA LYS 69 -3.747 6.576 -6.829 501 HB2 LYS 69 1HB LYS 69 -0.930 6.041 -7.661 502 HB3 LYS 69 2HB LYS 69 -2.200 5.004 -8.296 503 HG2 LYS 69 1HG LYS 69 -2.407 7.986 -8.473 504 HG3 LYS 69 2HG LYS 69 -1.494 7.054 -9.662 505 HD2 LYS 69 1HD LYS 69 -3.404 5.909 -10.395 506 HD3 LYS 69 2HD LYS 69 -4.330 6.358 -8.961 507 HE2 LYS 69 1HE LYS 69 -3.364 8.311 -11.045 508 HE3 LYS 69 2HE LYS 69 -4.975 7.595 -11.027 509 HZ1 LYS 69 1HZ LYS 69 -4.403 9.907 -9.871 510 HZ2 LYS 69 2HZ LYS 69 -4.107 8.875 -8.564 511 HZ3 LYS 69 3HZ LYS 69 -5.625 8.880 -9.311 512 H GLN 70 H GLN 70 -3.804 4.060 -7.570 513 HA GLN 70 HA GLN 70 -4.262 2.633 -5.153 514 HB2 GLN 70 1HB GLN 70 -5.736 1.996 -6.813 515 HB3 GLN 70 2HB GLN 70 -4.503 2.024 -8.066 516 HG2 GLN 70 1HG GLN 70 -3.616 -0.055 -7.368 517 HG3 GLN 70 2HG GLN 70 -4.567 -0.037 -5.884 518 HE21 GLN 70 1HE2 GLN 70 -4.743 -2.249 -7.297 519 HE22 GLN 70 2HE2 GLN 70 -6.241 -2.355 -8.149 520 H THR 71 H THR 71 -1.526 3.050 -7.132 521 HA THR 71 HA THR 71 -0.198 0.761 -5.832 522 HB THR 71 HB THR 71 1.456 1.136 -7.871 523 HG1 THR 71 1HG THR 71 -0.138 1.520 -9.725 524 HG21 THR 71 1HG2 THR 71 -0.947 -0.273 -8.796 525 HG22 THR 71 2HG2 THR 71 -0.386 -0.759 -7.196 526 HG23 THR 71 3HG2 THR 71 0.700 -0.862 -8.581 527 H LEU 72 H LEU 72 1.710 1.111 -4.798 528 HA LEU 72 HA LEU 72 2.692 3.889 -4.745 529 HB2 LEU 72 1HB LEU 72 1.747 3.320 -2.626 530 HB3 LEU 72 2HB LEU 72 2.631 1.796 -2.582 531 HG LEU 72 HG LEU 72 4.718 2.973 -2.256 532 HD11 LEU 72 1HD1 LEU 72 4.878 5.349 -2.094 533 HD12 LEU 72 2HD1 LEU 72 3.132 5.533 -2.259 534 HD13 LEU 72 3HD1 LEU 72 4.091 4.963 -3.625 535 HD21 LEU 72 1HD2 LEU 72 2.785 4.242 -0.350 536 HD22 LEU 72 2HD2 LEU 72 4.401 3.610 -0.038 537 HD23 LEU 72 3HD2 LEU 72 3.064 2.501 -0.345 538 H ASN 73 H ASN 73 4.673 4.203 -5.501 539 HA ASN 73 HA ASN 73 6.491 1.891 -5.666 540 HB2 ASN 73 1HB ASN 73 6.931 4.295 -7.371 541 HB3 ASN 73 2HB ASN 73 7.240 2.596 -7.721 542 HD21 ASN 73 1HD2 ASN 73 4.943 1.353 -7.432 543 HD22 ASN 73 2HD2 ASN 73 3.724 1.997 -8.474 544 H LEU 74 H LEU 74 8.371 1.990 -4.611 545 HA LEU 74 HA LEU 74 9.162 4.576 -3.448 546 HB2 LEU 74 1HB LEU 74 9.244 1.783 -2.445 547 HB3 LEU 74 2HB LEU 74 10.538 2.872 -1.948 548 HG LEU 74 HG LEU 74 8.658 4.439 -1.174 549 HD11 LEU 74 1HD1 LEU 74 7.109 1.857 -1.321 550 HD12 LEU 74 2HD1 LEU 74 6.842 3.270 -2.341 551 HD13 LEU 74 3HD1 LEU 74 6.558 3.371 -0.604 552 HD21 LEU 74 1HD2 LEU 74 8.470 3.251 0.970 553 HD22 LEU 74 2HD2 LEU 74 10.125 3.267 0.361 554 HD23 LEU 74 3HD2 LEU 74 9.145 1.807 0.217 555 H SER 75 H SER 75 11.515 4.863 -3.108 556 HA SER 75 HA SER 75 13.231 3.362 -4.925 557 HB2 SER 75 1HB SER 75 14.117 5.487 -5.919 558 HB3 SER 75 2HB SER 75 12.449 5.131 -6.369 559 HG SER 75 HG SER 75 11.749 6.660 -4.904 560 H GLN 76 H GLN 76 15.558 4.272 -4.752 561 HA GLN 76 HA GLN 76 17.348 4.217 -3.301 562 HB2 GLN 76 1HB GLN 76 15.914 6.729 -2.420 563 HB3 GLN 76 2HB GLN 76 17.606 6.362 -2.109 564 HG2 GLN 76 1HG GLN 76 18.133 6.472 -4.431 565 HG3 GLN 76 2HG GLN 76 16.428 6.590 -4.865 566 HE21 GLN 76 1HE2 GLN 76 17.917 8.454 -5.919 567 HE22 GLN 76 2HE2 GLN 76 17.749 9.971 -5.112 568 H LEU 77 H LEU 77 15.262 2.580 -2.334 569 HA LEU 77 HA LEU 77 14.729 3.111 0.415 570 HB2 LEU 77 1HB LEU 77 14.396 0.749 -1.386 571 HB3 LEU 77 2HB LEU 77 14.179 0.569 0.354 572 HG LEU 77 HG LEU 77 12.652 2.683 -1.104 573 HD11 LEU 77 1HD1 LEU 77 12.159 -0.269 -1.197 574 HD12 LEU 77 2HD1 LEU 77 12.089 0.915 -2.502 575 HD13 LEU 77 3HD1 LEU 77 10.823 0.880 -1.274 576 HD21 LEU 77 1HD2 LEU 77 11.040 1.466 0.747 577 HD22 LEU 77 2HD2 LEU 77 11.984 2.931 1.015 578 HD23 LEU 77 3HD2 LEU 77 12.632 1.363 1.500 579 H SER 78 H SER 78 15.841 2.566 2.199 580 HA SER 78 HA SER 78 18.511 1.480 1.850 581 HB2 SER 78 1HB SER 78 17.731 3.484 3.383 582 HB3 SER 78 2HB SER 78 17.393 2.191 4.534 583 HG SER 78 HG SER 78 19.867 2.203 3.229 584 H VAL 79 H VAL 79 19.273 -0.056 3.653 585 HA VAL 79 HA VAL 79 17.719 -2.447 3.449 586 HB VAL 79 HB VAL 79 20.208 -2.434 3.472 587 HG11 VAL 79 1HG1 VAL 79 20.382 -2.343 6.390 588 HG12 VAL 79 2HG1 VAL 79 21.437 -1.634 5.166 589 HG13 VAL 79 3HG1 VAL 79 19.957 -0.801 5.647 590 HG21 VAL 79 1HG2 VAL 79 19.847 -4.580 3.928 591 HG22 VAL 79 2HG2 VAL 79 20.042 -4.193 5.638 592 HG23 VAL 79 3HG2 VAL 79 18.435 -4.190 4.911 593 H GLY 80 H GLY 80 15.935 -2.729 4.625 594 HA2 GLY 80 1HA GLY 80 15.872 -3.123 7.339 595 HA3 GLY 80 2HA GLY 80 15.511 -1.415 7.136 596 H LEU 81 H LEU 81 13.586 -2.705 8.322 597 HA LEU 81 HA LEU 81 11.694 -3.767 6.385 598 HB2 LEU 81 1HB LEU 81 11.972 -4.823 8.598 599 HB3 LEU 81 2HB LEU 81 11.397 -3.339 9.355 600 HG LEU 81 HG LEU 81 9.210 -3.656 8.268 601 HD11 LEU 81 1HD1 LEU 81 10.403 -6.257 7.319 602 HD12 LEU 81 2HD1 LEU 81 9.922 -4.895 6.308 603 HD13 LEU 81 3HD1 LEU 81 8.702 -5.805 7.200 604 HD21 LEU 81 1HD2 LEU 81 9.263 -6.225 9.497 605 HD22 LEU 81 2HD2 LEU 81 8.638 -4.705 10.136 606 HD23 LEU 81 3HD2 LEU 81 10.327 -5.144 10.396 607 H TYR 82 H TYR 82 9.768 -2.816 5.813 608 HA TYR 82 HA TYR 82 9.126 -0.184 6.910 609 HB2 TYR 82 1HB TYR 82 9.372 -0.686 3.938 610 HB3 TYR 82 2HB TYR 82 8.912 0.828 4.710 611 HD1 TYR 82 2HD TYR 82 10.642 1.965 6.213 612 HD2 TYR 82 1HD TYR 82 11.622 -1.162 3.500 613 HE1 TYR 82 2HE TYR 82 13.003 2.652 6.284 614 HE2 TYR 82 1HE TYR 82 13.986 -0.485 3.564 615 HH TYR 82 HH TYR 82 15.226 1.823 4.101 616 H VAL 83 H VAL 83 7.137 -0.513 7.665 617 HA VAL 83 HA VAL 83 5.265 -2.167 6.133 618 HB VAL 83 HB VAL 83 4.934 -1.054 8.921 619 HG11 VAL 83 1HG1 VAL 83 3.291 -2.799 7.160 620 HG12 VAL 83 2HG1 VAL 83 3.299 -3.125 8.894 621 HG13 VAL 83 3HG1 VAL 83 2.790 -1.545 8.294 622 HG21 VAL 83 1HG2 VAL 83 6.848 -2.711 8.522 623 HG22 VAL 83 2HG2 VAL 83 5.694 -3.085 9.802 624 HG23 VAL 83 3HG2 VAL 83 5.581 -3.906 8.245 625 H PHE 84 H PHE 84 4.240 -1.006 4.619 626 HA PHE 84 HA PHE 84 3.371 1.718 5.233 627 HB2 PHE 84 1HB PHE 84 3.034 0.344 2.577 628 HB3 PHE 84 2HB PHE 84 3.148 2.068 2.917 629 HD1 PHE 84 2HD PHE 84 5.393 2.934 3.815 630 HD2 PHE 84 1HD PHE 84 4.907 -0.845 1.916 631 HE1 PHE 84 2HE PHE 84 7.806 2.868 3.336 632 HE2 PHE 84 1HE PHE 84 7.319 -0.917 1.435 633 HZ PHE 84 HZ PHE 84 8.772 0.942 2.144 634 H LYS 85 H LYS 85 1.271 2.326 5.380 635 HA LYS 85 HA LYS 85 -0.746 0.187 5.165 636 HB2 LYS 85 1HB LYS 85 -0.507 0.828 7.466 637 HB3 LYS 85 2HB LYS 85 -0.593 2.536 7.056 638 HG2 LYS 85 1HG LYS 85 -2.904 2.357 6.489 639 HG3 LYS 85 2HG LYS 85 -2.855 0.598 6.632 640 HD2 LYS 85 1HD LYS 85 -3.747 1.127 8.669 641 HD3 LYS 85 2HD LYS 85 -2.031 1.175 9.077 642 HE2 LYS 85 1HE LYS 85 -2.842 3.148 9.993 643 HE3 LYS 85 2HE LYS 85 -2.184 3.673 8.444 644 HZ1 LYS 85 1HZ LYS 85 -4.205 4.208 7.673 645 HZ2 LYS 85 2HZ LYS 85 -4.642 4.264 9.306 646 HZ3 LYS 85 3HZ LYS 85 -4.967 2.880 8.391 647 H VAL 86 H VAL 86 -2.404 0.494 3.815 648 HA VAL 86 HA VAL 86 -2.717 3.166 2.613 649 HB VAL 86 HB VAL 86 -2.032 1.472 0.994 650 HG11 VAL 86 1HG1 VAL 86 -4.621 0.030 1.470 651 HG12 VAL 86 2HG1 VAL 86 -3.207 -0.507 0.563 652 HG13 VAL 86 3HG1 VAL 86 -3.143 -0.411 2.323 653 HG21 VAL 86 1HG2 VAL 86 -4.801 1.734 0.122 654 HG22 VAL 86 2HG2 VAL 86 -4.120 3.241 0.734 655 HG23 VAL 86 3HG2 VAL 86 -3.324 2.386 -0.587 656 H THR 87 H THR 87 -4.381 4.201 3.499 657 HA THR 87 HA THR 87 -6.701 2.713 4.451 658 HB THR 87 HB THR 87 -6.555 5.690 4.620 659 HG1 THR 87 1HG THR 87 -5.285 5.349 6.596 660 HG21 THR 87 1HG2 THR 87 -7.229 4.005 6.943 661 HG22 THR 87 2HG2 THR 87 -8.316 3.863 5.562 662 HG23 THR 87 3HG2 THR 87 -8.038 5.436 6.307 663 H VAL 88 H VAL 88 -8.101 2.204 2.878 664 HA VAL 88 HA VAL 88 -8.847 4.306 0.951 665 HB VAL 88 HB VAL 88 -8.859 1.306 0.671 666 HG11 VAL 88 1HG1 VAL 88 -10.756 1.565 -0.500 667 HG12 VAL 88 2HG1 VAL 88 -10.546 3.311 -0.646 668 HG13 VAL 88 3HG1 VAL 88 -9.699 2.225 -1.747 669 HG21 VAL 88 1HG2 VAL 88 -6.863 2.996 0.158 670 HG22 VAL 88 2HG2 VAL 88 -7.167 1.565 -0.826 671 HG23 VAL 88 3HG2 VAL 88 -7.737 3.144 -1.366 672 H SER 89 H SER 89 -10.721 5.229 1.428 673 HA SER 89 HA SER 89 -12.956 3.530 2.280 674 HB2 SER 89 1HB SER 89 -13.653 5.289 3.906 675 HB3 SER 89 2HB SER 89 -12.123 4.522 4.330 676 HG SER 89 HG SER 89 -12.381 6.995 2.958 677 H SER 90 H SER 90 -14.986 4.208 1.608 678 HA SER 90 HA SER 90 -14.965 6.380 -0.382 679 HB2 SER 90 1HB SER 90 -16.419 5.176 -1.719 680 HB3 SER 90 2HB SER 90 -15.496 3.864 -0.985 681 HG SER 90 HG SER 90 -18.128 4.676 -0.522 682 H GLU 91 H GLU 91 -17.460 7.033 -0.765 683 HA GLU 91 HA GLU 91 -18.197 8.698 1.279 684 HB2 GLU 91 1HB GLU 91 -19.139 8.859 -0.967 685 HB3 GLU 91 2HB GLU 91 -20.016 7.355 -0.728 686 HG2 GLU 91 1HG GLU 91 -21.451 9.322 -0.492 687 HG3 GLU 91 2HG GLU 91 -21.372 8.369 0.989 688 H ASN 92 H ASN 92 -19.530 5.457 0.639 689 HA ASN 92 HA ASN 92 -20.449 5.391 3.438 690 HB2 ASN 92 1HB ASN 92 -22.148 3.678 2.519 691 HB3 ASN 92 2HB ASN 92 -22.433 5.384 2.188 692 HD21 ASN 92 1HD2 ASN 92 -20.656 2.655 0.773 693 HD22 ASN 92 2HD2 ASN 92 -21.135 2.971 -0.857 694 H ALA 93 H ALA 93 -17.857 4.601 2.540 695 HA ALA 93 HA ALA 93 -17.867 1.874 3.528 696 HB1 ALA 93 1HB ALA 93 -18.051 1.932 0.927 697 HB2 ALA 93 2HB ALA 93 -16.331 2.315 1.007 698 HB3 ALA 93 3HB ALA 93 -16.933 0.814 1.709 699 H PHE 94 H PHE 94 -15.764 1.139 4.191 700 HA PHE 94 HA PHE 94 -13.567 3.025 4.141 701 HB2 PHE 94 1HB PHE 94 -14.972 3.737 6.082 702 HB3 PHE 94 2HB PHE 94 -14.725 2.145 6.793 703 HD1 PHE 94 2HD PHE 94 -12.232 1.424 7.087 704 HD2 PHE 94 1HD PHE 94 -13.537 5.449 6.629 705 HE1 PHE 94 2HE PHE 94 -10.150 2.214 8.133 706 HE2 PHE 94 1HE PHE 94 -11.456 6.246 7.674 707 HZ PHE 94 HZ PHE 94 -9.760 4.628 8.428 708 H GLY 95 H GLY 95 -11.704 1.954 3.972 709 HA2 GLY 95 1HA GLY 95 -11.370 -0.634 5.266 710 HA3 GLY 95 2HA GLY 95 -11.305 -0.638 3.510 711 H GLU 96 H GLU 96 -9.147 -1.524 4.901 712 HA GLU 96 HA GLU 96 -7.086 0.182 3.937 713 HB2 GLU 96 1HB GLU 96 -5.986 0.469 6.212 714 HB3 GLU 96 2HB GLU 96 -7.378 1.490 5.880 715 HG2 GLU 96 1HG GLU 96 -7.740 0.775 8.049 716 HG3 GLU 96 2HG GLU 96 -8.740 -0.315 7.090 717 H GLY 97 H GLY 97 -5.000 -0.791 4.042 718 HA2 GLY 97 1HA GLY 97 -5.028 -3.607 4.930 719 HA3 GLY 97 2HA GLY 97 -4.381 -3.146 3.363 720 H PHE 98 H PHE 98 -2.648 -4.493 4.711 721 HA PHE 98 HA PHE 98 -0.719 -2.495 5.626 722 HB2 PHE 98 1HB PHE 98 -1.654 -4.885 7.189 723 HB3 PHE 98 2HB PHE 98 -0.032 -4.241 7.421 724 HD1 PHE 98 2HD PHE 98 -3.627 -3.454 7.672 725 HD2 PHE 98 1HD PHE 98 0.339 -2.271 8.667 726 HE1 PHE 98 2HE PHE 98 -4.523 -1.775 9.231 727 HE2 PHE 98 1HE PHE 98 -0.551 -0.590 10.228 728 HZ PHE 98 HZ PHE 98 -2.985 -0.339 10.511 729 H VAL 99 H VAL 99 1.122 -2.735 4.557 730 HA VAL 99 HA VAL 99 1.974 -5.431 3.759 731 HB VAL 99 HB VAL 99 0.893 -4.240 1.826 732 HG11 VAL 99 1HG1 VAL 99 1.801 -2.332 0.871 733 HG12 VAL 99 2HG1 VAL 99 1.930 -1.998 2.600 734 HG13 VAL 99 3HG1 VAL 99 3.347 -2.533 1.696 735 HG21 VAL 99 1HG2 VAL 99 3.156 -5.817 1.925 736 HG22 VAL 99 2HG2 VAL 99 2.202 -5.456 0.486 737 HG23 VAL 99 3HG2 VAL 99 3.625 -4.486 0.867 738 H ASN 100 H ASN 100 4.096 -5.833 4.037 739 HA ASN 100 HA ASN 100 5.808 -3.565 4.819 740 HB2 ASN 100 1HB ASN 100 7.009 -5.061 6.301 741 HB3 ASN 100 2HB ASN 100 5.290 -5.140 6.673 742 HD21 ASN 100 1HD2 ASN 100 6.679 -7.134 7.618 743 HD22 ASN 100 2HD2 ASN 100 6.474 -8.579 6.692 744 H VAL 101 H VAL 101 7.909 -3.483 4.047 745 HA VAL 101 HA VAL 101 8.643 -5.489 2.022 746 HB VAL 101 HB VAL 101 9.046 -2.508 1.742 747 HG11 VAL 101 1HG1 VAL 101 10.755 -3.228 0.461 748 HG12 VAL 101 2HG1 VAL 101 10.091 -4.855 0.304 749 HG13 VAL 101 3HG1 VAL 101 9.478 -3.549 -0.712 750 HG21 VAL 101 1HG2 VAL 101 6.722 -3.032 1.430 751 HG22 VAL 101 2HG2 VAL 101 7.446 -2.727 -0.149 752 HG23 VAL 101 3HG2 VAL 101 7.124 -4.382 0.368 753 H THR 102 H THR 102 10.475 -6.444 2.580 754 HA THR 102 HA THR 102 12.348 -5.055 4.348 755 HB THR 102 HB THR 102 12.108 -7.958 3.555 756 HG1 THR 102 1HG THR 102 10.667 -7.161 5.183 757 HG21 THR 102 1HG2 THR 102 13.945 -8.319 5.231 758 HG22 THR 102 2HG2 THR 102 14.227 -6.578 5.199 759 HG23 THR 102 3HG2 THR 102 14.454 -7.536 3.735 760 H VAL 103 H VAL 103 14.336 -4.424 3.736 761 HA VAL 103 HA VAL 103 15.131 -4.980 0.956 762 HB VAL 103 HB VAL 103 15.931 -2.677 2.741 763 HG11 VAL 103 1HG1 VAL 103 17.763 -2.758 1.413 764 HG12 VAL 103 2HG1 VAL 103 16.936 -3.653 0.137 765 HG13 VAL 103 3HG1 VAL 103 16.696 -1.912 0.293 766 HG21 VAL 103 1HG2 VAL 103 14.715 -1.446 0.777 767 HG22 VAL 103 2HG2 VAL 103 13.910 -3.002 0.568 768 HG23 VAL 103 3HG2 VAL 103 13.783 -2.143 2.103 769 H LYS 104 H LYS 104 17.046 -5.921 0.521 770 HA LYS 104 HA LYS 104 18.672 -6.759 2.815 771 HB2 LYS 104 1HB LYS 104 18.658 -7.825 -0.014 772 HB3 LYS 104 2HB LYS 104 19.561 -8.493 1.339 773 HG2 LYS 104 1HG LYS 104 16.566 -8.279 1.343 774 HG3 LYS 104 2HG LYS 104 17.426 -9.683 0.707 775 HD2 LYS 104 1HD LYS 104 18.562 -9.893 2.923 776 HD3 LYS 104 2HD LYS 104 17.507 -8.611 3.525 777 HE2 LYS 104 1HE LYS 104 15.586 -9.934 3.299 778 HE3 LYS 104 2HE LYS 104 16.397 -11.083 2.235 779 HZ1 LYS 104 1HZ LYS 104 17.513 -10.795 4.905 780 HZ2 LYS 104 2HZ LYS 104 17.300 -12.184 3.964 781 HZ3 LYS 104 3HZ LYS 104 15.991 -11.530 4.814 782 HA PRO 105 HA PRO 105 22.028 -4.153 1.693 783 HB2 PRO 105 1HB PRO 105 24.111 -5.621 2.628 784 HB3 PRO 105 2HB PRO 105 22.990 -4.760 3.689 785 HG2 PRO 105 1HG PRO 105 23.038 -7.657 2.935 786 HG3 PRO 105 2HG PRO 105 22.762 -6.918 4.523 787 HD2 PRO 105 1HD PRO 105 20.741 -7.829 2.968 788 HD3 PRO 105 2HD PRO 105 20.556 -6.438 4.056 789 H ALA 106 H ALA 106 23.540 -3.855 0.091 790 HA ALA 106 HA ALA 106 23.435 -5.461 -2.190 791 HB1 ALA 106 1HB ALA 106 25.885 -4.020 -2.199 792 HB2 ALA 106 2HB ALA 106 24.387 -3.655 -3.056 793 HB3 ALA 106 3HB ALA 106 24.652 -3.017 -1.433 794 H ARG 107 H ARG 107 24.031 -7.547 -2.142 795 HA ARG 107 HA ARG 107 26.155 -8.561 -0.553 796 HB2 ARG 107 1HB ARG 107 24.689 -9.788 -2.895 797 HB3 ARG 107 2HB ARG 107 25.803 -10.656 -1.846 798 HG2 ARG 107 1HG ARG 107 24.360 -10.439 0.018 799 HG3 ARG 107 2HG ARG 107 23.338 -9.275 -0.826 800 HD2 ARG 107 1HD ARG 107 22.116 -11.238 -0.986 801 HD3 ARG 107 2HD ARG 107 22.972 -11.186 -2.527 802 HE ARG 107 HE ARG 107 24.393 -12.642 -0.511 803 HH11 ARG 107 2HH1 ARG 107 21.875 -12.839 -2.907 804 HH12 ARG 107 1HH1 ARG 107 22.027 -14.552 -3.114 805 HH21 ARG 107 2HH2 ARG 107 24.603 -14.897 -0.776 806 HH22 ARG 107 1HH2 ARG 107 23.579 -15.722 -1.901 807 H SER 108 H SER 108 25.831 -8.008 -4.054 808 HA SER 108 HA SER 108 28.653 -8.559 -4.455 809 HB2 SER 108 1HB SER 108 26.444 -7.798 -6.377 810 HB3 SER 108 2HB SER 108 28.111 -8.106 -6.864 811 HG SER 108 HG SER 108 26.962 -9.999 -7.102 812 H GLY 109 H GLY 109 29.887 -6.947 -3.629 813 HA2 GLY 109 1HA GLY 109 29.915 -4.443 -5.047 814 HA3 GLY 109 2HA GLY 109 29.391 -4.280 -3.378 815 HA PRO 110 HA PRO 110 34.162 -4.705 -3.946 816 HB2 PRO 110 1HB PRO 110 34.889 -2.129 -4.402 817 HB3 PRO 110 2HB PRO 110 34.553 -3.277 -5.703 818 HG2 PRO 110 1HG PRO 110 32.786 -1.157 -4.545 819 HG3 PRO 110 2HG PRO 110 33.039 -1.597 -6.244 820 HD2 PRO 110 1HD PRO 110 30.879 -2.418 -4.832 821 HD3 PRO 110 2HD PRO 110 31.606 -3.398 -6.121 822 H SER 111 H SER 111 35.258 -4.616 -2.080 823 HA SER 111 HA SER 111 34.635 -2.482 -0.161 824 HB2 SER 111 1HB SER 111 33.360 -4.502 0.485 825 HB3 SER 111 2HB SER 111 34.866 -5.417 0.549 826 HG SER 111 HG SER 111 33.851 -4.240 2.539 827 H SER 112 H SER 112 36.370 -1.613 0.808 828 HA SER 112 HA SER 112 38.987 -2.757 0.157 829 HB2 SER 112 1HB SER 112 39.900 -0.562 0.648 830 HB3 SER 112 2HB SER 112 38.529 -0.382 -0.446 831 HG SER 112 HG SER 112 38.548 0.047 2.359 832 H GLY 113 H GLY 113 37.584 -4.108 2.135 833 HA2 GLY 113 1HA GLY 113 38.243 -3.218 4.757 834 HA3 GLY 113 2HA GLY 113 37.717 -4.835 4.314 Start of MODEL 6 1 H1 GLY 1 H GLY 1 -18.753 28.530 12.599 2 HA2 GLY 1 1HA GLY 1 -21.081 28.027 12.571 3 HA3 GLY 1 2HA GLY 1 -21.144 28.552 10.895 4 H SER 2 H SER 2 -20.332 25.942 13.063 5 HA SER 2 HA SER 2 -20.565 24.074 10.826 6 HB2 SER 2 1HB SER 2 -18.191 24.333 12.651 7 HB3 SER 2 2HB SER 2 -18.602 22.775 11.935 8 HG SER 2 HG SER 2 -18.015 25.190 10.567 9 H SER 3 H SER 3 -21.825 22.396 11.314 10 HA SER 3 HA SER 3 -22.121 21.594 14.120 11 HB2 SER 3 1HB SER 3 -24.340 22.369 12.232 12 HB3 SER 3 2HB SER 3 -24.626 21.324 13.623 13 HG SER 3 HG SER 3 -24.994 23.539 14.099 14 H GLY 4 H GLY 4 -22.959 19.439 14.410 15 HA2 GLY 4 1HA GLY 4 -22.900 17.758 11.996 16 HA3 GLY 4 2HA GLY 4 -21.857 17.356 13.352 17 H SER 5 H SER 5 -24.051 15.830 12.113 18 HA SER 5 HA SER 5 -25.441 15.165 14.579 19 HB2 SER 5 1HB SER 5 -26.809 16.885 13.210 20 HB3 SER 5 2HB SER 5 -27.100 15.549 12.097 21 HG SER 5 HG SER 5 -28.721 15.790 13.750 22 H SER 6 H SER 6 -25.127 13.061 14.803 23 HA SER 6 HA SER 6 -25.861 11.211 12.739 24 HB2 SER 6 1HB SER 6 -22.950 11.407 13.549 25 HB3 SER 6 2HB SER 6 -23.646 10.107 12.582 26 HG SER 6 HG SER 6 -23.620 11.364 10.896 27 H GLY 7 H GLY 7 -26.339 9.210 13.550 28 HA2 GLY 7 1HA GLY 7 -25.589 8.670 16.348 29 HA3 GLY 7 2HA GLY 7 -27.272 8.567 15.855 30 HA PRO 8 HA PRO 8 -26.293 4.268 15.292 31 HB2 PRO 8 1HB PRO 8 -28.771 3.517 14.475 32 HB3 PRO 8 2HB PRO 8 -28.373 3.838 16.167 33 HG2 PRO 8 1HG PRO 8 -29.724 5.612 14.170 34 HG3 PRO 8 2HG PRO 8 -30.130 5.333 15.874 35 HD2 PRO 8 1HD PRO 8 -28.772 7.522 15.040 36 HD3 PRO 8 2HD PRO 8 -28.501 6.778 16.629 37 H ARG 9 H ARG 9 -24.898 4.925 13.451 38 HA ARG 9 HA ARG 9 -26.150 4.153 10.904 39 HB2 ARG 9 1HB ARG 9 -24.374 6.502 11.478 40 HB3 ARG 9 2HB ARG 9 -24.384 5.770 9.880 41 HG2 ARG 9 1HG ARG 9 -26.562 6.410 9.453 42 HG3 ARG 9 2HG ARG 9 -26.952 6.586 11.165 43 HD2 ARG 9 1HD ARG 9 -25.122 8.461 11.066 44 HD3 ARG 9 2HD ARG 9 -25.496 8.445 9.343 45 HE ARG 9 HE ARG 9 -27.110 9.517 11.439 46 HH11 ARG 9 2HH1 ARG 9 -27.216 8.006 8.305 47 HH12 ARG 9 1HH1 ARG 9 -28.744 8.701 7.877 48 HH21 ARG 9 2HH2 ARG 9 -29.122 10.439 10.888 49 HH22 ARG 9 1HH2 ARG 9 -29.827 10.086 9.347 50 H THR 10 H THR 10 -24.615 3.308 9.311 51 HA THR 10 HA THR 10 -22.060 2.380 10.366 52 HB THR 10 HB THR 10 -22.548 0.040 9.548 53 HG1 THR 10 1HG THR 10 -24.470 0.644 8.356 54 HG21 THR 10 1HG2 THR 10 -23.122 -0.596 11.649 55 HG22 THR 10 2HG2 THR 10 -24.489 0.516 11.727 56 HG23 THR 10 3HG2 THR 10 -22.851 1.111 11.997 57 H VAL 11 H VAL 11 -20.601 1.639 8.745 58 HA VAL 11 HA VAL 11 -21.296 2.609 6.054 59 HB VAL 11 HB VAL 11 -18.926 2.925 5.657 60 HG11 VAL 11 1HG1 VAL 11 -20.386 4.261 7.775 61 HG12 VAL 11 2HG1 VAL 11 -18.639 4.380 7.996 62 HG13 VAL 11 3HG1 VAL 11 -19.380 4.939 6.495 63 HG21 VAL 11 1HG2 VAL 11 -17.335 2.636 7.598 64 HG22 VAL 11 2HG2 VAL 11 -18.607 1.708 8.392 65 HG23 VAL 11 3HG2 VAL 11 -17.928 1.146 6.864 66 H LYS 12 H LYS 12 -19.644 1.489 4.397 67 HA LYS 12 HA LYS 12 -20.291 -1.354 4.547 68 HB2 LYS 12 1HB LYS 12 -19.594 0.546 2.353 69 HB3 LYS 12 2HB LYS 12 -19.259 -1.164 2.113 70 HG2 LYS 12 1HG LYS 12 -21.669 -1.599 2.711 71 HG3 LYS 12 2HG LYS 12 -21.917 0.146 2.610 72 HD2 LYS 12 1HD LYS 12 -22.514 -0.630 0.490 73 HD3 LYS 12 2HD LYS 12 -20.864 -0.042 0.275 74 HE2 LYS 12 1HE LYS 12 -20.024 -2.330 0.506 75 HE3 LYS 12 2HE LYS 12 -21.673 -2.915 0.721 76 HZ1 LYS 12 1HZ LYS 12 -22.171 -2.597 -1.470 77 HZ2 LYS 12 2HZ LYS 12 -20.529 -2.978 -1.607 78 HZ3 LYS 12 3HZ LYS 12 -21.032 -1.364 -1.685 79 H GLU 13 H GLU 13 -18.837 -2.802 5.165 80 HA GLU 13 HA GLU 13 -16.118 -2.075 5.659 81 HB2 GLU 13 1HB GLU 13 -15.857 -4.454 6.322 82 HB3 GLU 13 2HB GLU 13 -17.196 -3.652 7.130 83 HG2 GLU 13 1HG GLU 13 -18.751 -4.682 5.526 84 HG3 GLU 13 2HG GLU 13 -17.394 -5.530 4.786 85 H LEU 14 H LEU 14 -14.570 -1.986 4.185 86 HA LEU 14 HA LEU 14 -14.824 -3.615 1.754 87 HB2 LEU 14 1HB LEU 14 -12.993 -1.272 2.227 88 HB3 LEU 14 2HB LEU 14 -13.344 -2.060 0.690 89 HG LEU 14 HG LEU 14 -15.348 -0.494 2.314 90 HD11 LEU 14 1HD1 LEU 14 -15.032 1.317 0.838 91 HD12 LEU 14 2HD1 LEU 14 -14.017 0.361 -0.242 92 HD13 LEU 14 3HD1 LEU 14 -13.417 0.825 1.350 93 HD21 LEU 14 1HD2 LEU 14 -16.587 -1.967 1.020 94 HD22 LEU 14 2HD2 LEU 14 -15.436 -1.923 -0.316 95 HD23 LEU 14 3HD2 LEU 14 -16.484 -0.538 -0.008 96 H THR 15 H THR 15 -13.321 -5.100 1.201 97 HA THR 15 HA THR 15 -11.324 -5.775 3.209 98 HB THR 15 HB THR 15 -12.089 -7.261 0.688 99 HG1 THR 15 1HG THR 15 -13.042 -8.667 2.454 100 HG21 THR 15 1HG2 THR 15 -9.817 -7.553 2.222 101 HG22 THR 15 2HG2 THR 15 -10.519 -8.786 1.174 102 HG23 THR 15 3HG2 THR 15 -10.910 -8.763 2.893 103 H VAL 16 H VAL 16 -9.745 -4.196 2.920 104 HA VAL 16 HA VAL 16 -8.535 -3.845 0.303 105 HB VAL 16 HB VAL 16 -7.681 -2.637 2.935 106 HG11 VAL 16 1HG1 VAL 16 -6.810 -2.351 0.126 107 HG12 VAL 16 2HG1 VAL 16 -6.947 -0.862 1.065 108 HG13 VAL 16 3HG1 VAL 16 -5.897 -2.165 1.624 109 HG21 VAL 16 1HG2 VAL 16 -9.101 -0.848 2.600 110 HG22 VAL 16 2HG2 VAL 16 -9.274 -1.171 0.875 111 HG23 VAL 16 3HG2 VAL 16 -10.093 -2.199 2.051 112 H SER 17 H SER 17 -6.934 -5.074 -0.410 113 HA SER 17 HA SER 17 -5.003 -6.165 1.514 114 HB2 SER 17 1HB SER 17 -6.654 -7.937 0.968 115 HB3 SER 17 2HB SER 17 -6.245 -7.763 -0.739 116 HG SER 17 HG SER 17 -4.957 -9.138 1.200 117 H ALA 18 H ALA 18 -2.977 -5.756 0.938 118 HA ALA 18 HA ALA 18 -2.384 -4.456 -1.538 119 HB1 ALA 18 1HB ALA 18 -1.202 -3.831 0.477 120 HB2 ALA 18 2HB ALA 18 -0.556 -5.464 0.638 121 HB3 ALA 18 3HB ALA 18 -0.061 -4.450 -0.717 122 H GLY 19 H GLY 19 -1.748 -7.670 -0.191 123 HA2 GLY 19 1HA GLY 19 -1.951 -9.292 -2.249 124 HA3 GLY 19 2HA GLY 19 -0.455 -8.481 -2.689 125 H ASP 20 H ASP 20 1.284 -8.528 -0.997 126 HA ASP 20 HA ASP 20 1.254 -10.436 1.080 127 HB2 ASP 20 1HB ASP 20 1.208 -11.887 -1.050 128 HB3 ASP 20 2HB ASP 20 2.878 -11.372 -1.276 129 H ASN 21 H ASN 21 3.658 -11.027 1.677 130 HA ASN 21 HA ASN 21 4.992 -8.557 2.098 131 HB2 ASN 21 1HB ASN 21 6.629 -9.832 3.311 132 HB3 ASN 21 2HB ASN 21 5.045 -10.516 3.666 133 HD21 ASN 21 1HD2 ASN 21 4.830 -12.626 3.477 134 HD22 ASN 21 2HD2 ASN 21 5.892 -13.680 2.613 135 H LEU 22 H LEU 22 6.652 -7.622 1.049 136 HA LEU 22 HA LEU 22 7.763 -9.060 -1.271 137 HB2 LEU 22 1HB LEU 22 7.583 -6.075 -0.928 138 HB3 LEU 22 2HB LEU 22 8.025 -6.963 -2.385 139 HG LEU 22 HG LEU 22 5.866 -6.257 -2.834 140 HD11 LEU 22 1HD1 LEU 22 6.203 -8.737 -3.066 141 HD12 LEU 22 2HD1 LEU 22 4.526 -8.210 -2.929 142 HD13 LEU 22 3HD1 LEU 22 5.343 -8.921 -1.537 143 HD21 LEU 22 1HD2 LEU 22 4.025 -6.306 -1.241 144 HD22 LEU 22 2HD2 LEU 22 5.380 -5.375 -0.602 145 HD23 LEU 22 3HD2 LEU 22 5.083 -7.014 -0.021 146 H ILE 23 H ILE 23 9.944 -9.137 -1.551 147 HA ILE 23 HA ILE 23 11.621 -7.724 0.411 148 HB ILE 23 HB ILE 23 11.990 -10.594 -0.456 149 HG12 ILE 23 1HG1 ILE 23 11.393 -9.555 2.314 150 HG13 ILE 23 2HG1 ILE 23 10.131 -10.082 1.206 151 HG21 ILE 23 1HG2 ILE 23 13.556 -9.131 1.647 152 HG22 ILE 23 2HG2 ILE 23 13.924 -10.671 0.872 153 HG23 ILE 23 3HG2 ILE 23 14.060 -9.170 -0.043 154 HD11 ILE 23 1HD1 ILE 23 12.257 -11.698 2.544 155 HD12 ILE 23 2HD1 ILE 23 10.510 -11.942 2.526 156 HD13 ILE 23 3HD1 ILE 23 11.463 -12.277 1.080 157 H ILE 24 H ILE 24 13.202 -6.585 -0.490 158 HA ILE 24 HA ILE 24 14.027 -7.269 -3.237 159 HB ILE 24 HB ILE 24 14.769 -4.738 -3.175 160 HG12 ILE 24 1HG1 ILE 24 12.531 -4.882 -1.148 161 HG13 ILE 24 2HG1 ILE 24 14.160 -4.265 -0.892 162 HG21 ILE 24 1HG2 ILE 24 12.786 -4.170 -4.359 163 HG22 ILE 24 2HG2 ILE 24 13.120 -5.869 -4.691 164 HG23 ILE 24 3HG2 ILE 24 11.862 -5.428 -3.537 165 HD11 ILE 24 1HD1 ILE 24 13.718 -2.405 -2.367 166 HD12 ILE 24 2HD1 ILE 24 12.114 -3.043 -2.728 167 HD13 ILE 24 3HD1 ILE 24 12.494 -2.483 -1.100 168 H THR 25 H THR 25 16.253 -6.546 -3.796 169 HA THR 25 HA THR 25 18.074 -6.553 -1.490 170 HB THR 25 HB THR 25 18.425 -8.275 -3.952 171 HG1 THR 25 1HG THR 25 18.109 -9.987 -2.482 172 HG21 THR 25 1HG2 THR 25 20.128 -8.217 -1.466 173 HG22 THR 25 2HG2 THR 25 20.516 -7.297 -2.920 174 HG23 THR 25 3HG2 THR 25 20.448 -9.058 -2.982 175 H LEU 26 H LEU 26 19.674 -5.102 -1.630 176 HA LEU 26 HA LEU 26 19.735 -3.091 -3.521 177 HB2 LEU 26 1HB LEU 26 21.776 -4.133 -1.596 178 HB3 LEU 26 2HB LEU 26 22.186 -2.831 -2.712 179 HG LEU 26 HG LEU 26 20.004 -2.747 -0.627 180 HD11 LEU 26 1HD1 LEU 26 22.416 -1.003 -0.607 181 HD12 LEU 26 2HD1 LEU 26 22.555 -2.657 -0.012 182 HD13 LEU 26 3HD1 LEU 26 21.402 -1.548 0.730 183 HD21 LEU 26 1HD2 LEU 26 20.989 -0.687 -2.595 184 HD22 LEU 26 2HD2 LEU 26 19.937 -0.333 -1.224 185 HD23 LEU 26 3HD2 LEU 26 19.379 -1.402 -2.512 186 HA PRO 27 HA PRO 27 21.583 -1.684 -4.219 187 HB2 PRO 27 1HB PRO 27 21.510 -0.575 -6.696 188 HB3 PRO 27 2HB PRO 27 23.010 -1.097 -5.921 189 HG2 PRO 27 1HG PRO 27 21.349 -2.505 -7.976 190 HG3 PRO 27 2HG PRO 27 23.112 -2.341 -7.883 191 HD2 PRO 27 1HD PRO 27 21.814 -4.586 -7.104 192 HD3 PRO 27 2HD PRO 27 23.314 -4.033 -6.331 193 H ASP 28 H ASP 28 19.500 -3.451 -6.377 194 HA ASP 28 HA ASP 28 17.495 -1.707 -6.988 195 HB2 ASP 28 1HB ASP 28 17.172 -4.571 -6.066 196 HB3 ASP 28 2HB ASP 28 15.947 -3.639 -6.923 197 H ASN 29 H ASN 29 16.772 -0.180 -5.626 198 HA ASN 29 HA ASN 29 15.736 -1.067 -3.013 199 HB2 ASN 29 1HB ASN 29 16.241 1.163 -2.140 200 HB3 ASN 29 2HB ASN 29 17.697 0.406 -2.779 201 HD21 ASN 29 1HD2 ASN 29 18.896 2.043 -3.468 202 HD22 ASN 29 2HD2 ASN 29 18.380 3.267 -4.573 203 H GLU 30 H GLU 30 14.447 -0.834 -5.713 204 HA GLU 30 HA GLU 30 12.333 1.089 -4.990 205 HB2 GLU 30 1HB GLU 30 12.803 0.091 -7.786 206 HB3 GLU 30 2HB GLU 30 11.931 1.526 -7.264 207 HG2 GLU 30 1HG GLU 30 14.036 2.553 -6.569 208 HG3 GLU 30 2HG GLU 30 14.909 1.117 -7.100 209 H VAL 31 H VAL 31 10.230 0.422 -4.990 210 HA VAL 31 HA VAL 31 9.584 -2.269 -5.922 211 HB VAL 31 HB VAL 31 10.053 -2.849 -3.706 212 HG11 VAL 31 1HG1 VAL 31 8.873 -0.186 -3.017 213 HG12 VAL 31 2HG1 VAL 31 8.993 -1.457 -1.799 214 HG13 VAL 31 3HG1 VAL 31 10.449 -0.852 -2.591 215 HG21 VAL 31 1HG2 VAL 31 7.841 -3.613 -4.450 216 HG22 VAL 31 2HG2 VAL 31 7.899 -3.371 -2.704 217 HG23 VAL 31 3HG2 VAL 31 7.112 -2.176 -3.734 218 H GLU 32 H GLU 32 7.475 -2.526 -6.557 219 HA GLU 32 HA GLU 32 5.782 -0.120 -6.389 220 HB2 GLU 32 1HB GLU 32 6.356 -0.441 -8.666 221 HB3 GLU 32 2HB GLU 32 6.090 -2.176 -8.569 222 HG2 GLU 32 1HG GLU 32 3.773 -1.946 -8.582 223 HG3 GLU 32 2HG GLU 32 3.848 -0.241 -8.141 224 H LEU 33 H LEU 33 4.370 -0.473 -4.785 225 HA LEU 33 HA LEU 33 3.213 -3.120 -4.405 226 HB2 LEU 33 1HB LEU 33 2.745 -0.602 -2.819 227 HB3 LEU 33 2HB LEU 33 2.293 -2.242 -2.358 228 HG LEU 33 HG LEU 33 5.164 -1.454 -2.758 229 HD11 LEU 33 1HD1 LEU 33 3.707 -1.384 -0.128 230 HD12 LEU 33 2HD1 LEU 33 4.024 0.053 -1.099 231 HD13 LEU 33 3HD1 LEU 33 5.368 -0.896 -0.464 232 HD21 LEU 33 1HD2 LEU 33 5.098 -3.323 -0.820 233 HD22 LEU 33 2HD2 LEU 33 5.249 -3.696 -2.537 234 HD23 LEU 33 3HD2 LEU 33 3.673 -3.787 -1.750 235 H LYS 34 H LYS 34 0.935 -3.465 -4.300 236 HA LYS 34 HA LYS 34 -0.720 -1.425 -5.610 237 HB2 LYS 34 1HB LYS 34 0.110 -3.188 -7.244 238 HB3 LYS 34 2HB LYS 34 -0.868 -4.346 -6.352 239 HG2 LYS 34 1HG LYS 34 -2.861 -2.943 -6.828 240 HG3 LYS 34 2HG LYS 34 -1.841 -1.920 -7.844 241 HD2 LYS 34 1HD LYS 34 -1.254 -4.000 -9.145 242 HD3 LYS 34 2HD LYS 34 -2.524 -4.828 -8.240 243 HE2 LYS 34 1HE LYS 34 -3.941 -2.741 -9.056 244 HE3 LYS 34 2HE LYS 34 -2.731 -2.733 -10.338 245 HZ1 LYS 34 1HZ LYS 34 -4.381 -4.094 -11.172 246 HZ2 LYS 34 2HZ LYS 34 -4.709 -4.815 -9.679 247 HZ3 LYS 34 3HZ LYS 34 -3.297 -5.217 -10.520 248 H ALA 35 H ALA 35 -2.820 -1.325 -4.920 249 HA ALA 35 HA ALA 35 -3.484 -3.020 -2.615 250 HB1 ALA 35 1HB ALA 35 -3.485 -0.341 -2.742 251 HB2 ALA 35 2HB ALA 35 -5.152 -0.661 -3.220 252 HB3 ALA 35 3HB ALA 35 -4.547 -1.262 -1.676 253 H PHE 36 H PHE 36 -5.562 -3.942 -2.410 254 HA PHE 36 HA PHE 36 -7.154 -4.057 -4.878 255 HB2 PHE 36 1HB PHE 36 -6.039 -6.334 -3.277 256 HB3 PHE 36 2HB PHE 36 -7.554 -6.538 -4.150 257 HD1 PHE 36 2HD PHE 36 -3.954 -5.877 -4.500 258 HD2 PHE 36 1HD PHE 36 -7.600 -6.743 -6.518 259 HE1 PHE 36 2HE PHE 36 -2.696 -6.354 -6.560 260 HE2 PHE 36 1HE PHE 36 -6.348 -7.223 -8.581 261 HZ PHE 36 HZ PHE 36 -3.893 -7.028 -8.604 262 H VAL 37 H VAL 37 -9.124 -3.337 -4.456 263 HA VAL 37 HA VAL 37 -10.214 -3.666 -1.746 264 HB VAL 37 HB VAL 37 -11.099 -1.788 -3.941 265 HG11 VAL 37 1HG1 VAL 37 -11.974 -1.133 -1.272 266 HG12 VAL 37 2HG1 VAL 37 -12.921 -1.338 -2.747 267 HG13 VAL 37 3HG1 VAL 37 -12.532 -2.737 -1.746 268 HG21 VAL 37 1HG2 VAL 37 -9.765 -0.189 -3.090 269 HG22 VAL 37 2HG2 VAL 37 -10.018 -0.717 -1.426 270 HG23 VAL 37 3HG2 VAL 37 -8.849 -1.553 -2.449 271 H ALA 38 H ALA 38 -11.849 -5.018 -1.396 272 HA ALA 38 HA ALA 38 -13.473 -5.888 -3.696 273 HB1 ALA 38 1HB ALA 38 -13.484 -8.131 -2.919 274 HB2 ALA 38 2HB ALA 38 -11.801 -7.602 -2.931 275 HB3 ALA 38 3HB ALA 38 -12.690 -7.682 -1.410 276 HA PRO 39 HA PRO 39 -15.275 -6.432 -4.351 277 HB2 PRO 39 1HB PRO 39 -17.337 -4.839 -5.112 278 HB3 PRO 39 2HB PRO 39 -17.572 -6.417 -4.353 279 HG2 PRO 39 1HG PRO 39 -17.686 -3.689 -3.126 280 HG3 PRO 39 2HG PRO 39 -18.764 -5.075 -2.875 281 HD2 PRO 39 1HD PRO 39 -16.805 -4.419 -1.126 282 HD3 PRO 39 2HD PRO 39 -17.315 -6.096 -1.402 283 H ALA 40 H ALA 40 -14.576 -5.383 -6.222 284 HA ALA 40 HA ALA 40 -13.052 -2.995 -5.796 285 HB1 ALA 40 1HB ALA 40 -11.892 -4.172 -7.314 286 HB2 ALA 40 2HB ALA 40 -13.326 -5.011 -7.909 287 HB3 ALA 40 3HB ALA 40 -12.954 -3.385 -8.483 288 HA PRO 41 HA PRO 41 -16.004 0.030 -7.016 289 HB2 PRO 41 1HB PRO 41 -14.322 1.973 -7.891 290 HB3 PRO 41 2HB PRO 41 -14.536 1.588 -6.180 291 HG2 PRO 41 1HG PRO 41 -12.363 0.739 -8.055 292 HG3 PRO 41 2HG PRO 41 -12.238 1.297 -6.376 293 HD2 PRO 41 1HD PRO 41 -12.135 -1.323 -7.052 294 HD3 PRO 41 2HD PRO 41 -12.826 -0.760 -5.517 295 HA PRO 42 HA PRO 42 -16.731 -0.428 -11.339 296 HB2 PRO 42 1HB PRO 42 -18.332 1.724 -11.763 297 HB3 PRO 42 2HB PRO 42 -18.876 0.275 -10.908 298 HG2 PRO 42 1HG PRO 42 -17.935 2.890 -9.795 299 HG3 PRO 42 2HG PRO 42 -19.307 1.887 -9.288 300 HD2 PRO 42 1HD PRO 42 -16.942 1.894 -7.969 301 HD3 PRO 42 2HD PRO 42 -17.972 0.452 -8.075 302 H VAL 43 H VAL 43 -17.080 1.420 -13.258 303 HA VAL 43 HA VAL 43 -14.415 2.376 -13.707 304 HB VAL 43 HB VAL 43 -15.770 1.481 -15.549 305 HG11 VAL 43 1HG1 VAL 43 -17.907 2.567 -14.600 306 HG12 VAL 43 2HG1 VAL 43 -17.407 3.991 -15.516 307 HG13 VAL 43 3HG1 VAL 43 -17.718 2.468 -16.350 308 HG21 VAL 43 1HG2 VAL 43 -14.789 2.817 -17.084 309 HG22 VAL 43 2HG2 VAL 43 -15.453 4.293 -16.384 310 HG23 VAL 43 3HG2 VAL 43 -14.035 3.534 -15.661 311 H GLU 44 H GLU 44 -17.557 3.870 -13.065 312 HA GLU 44 HA GLU 44 -16.598 6.549 -13.310 313 HB2 GLU 44 1HB GLU 44 -19.116 5.330 -12.203 314 HB3 GLU 44 2HB GLU 44 -18.799 7.055 -12.073 315 HG2 GLU 44 1HG GLU 44 -18.762 7.302 -14.442 316 HG3 GLU 44 2HG GLU 44 -18.814 5.556 -14.679 317 H THR 45 H THR 45 -17.985 5.008 -10.416 318 HA THR 45 HA THR 45 -16.627 6.787 -8.654 319 HB THR 45 HB THR 45 -17.936 4.164 -7.919 320 HG1 THR 45 1HG THR 45 -19.841 5.187 -7.979 321 HG21 THR 45 1HG2 THR 45 -17.691 4.771 -5.773 322 HG22 THR 45 2HG2 THR 45 -18.150 6.442 -6.104 323 HG23 THR 45 3HG2 THR 45 -16.489 5.915 -6.368 324 H THR 46 H THR 46 -14.733 6.578 -7.613 325 HA THR 46 HA THR 46 -13.390 3.977 -7.577 326 HB THR 46 HB THR 46 -11.218 5.201 -8.163 327 HG1 THR 46 1HG THR 46 -13.017 7.030 -9.394 328 HG21 THR 46 1HG2 THR 46 -12.650 5.335 -10.665 329 HG22 THR 46 2HG2 THR 46 -13.133 3.912 -9.742 330 HG23 THR 46 3HG2 THR 46 -11.434 4.175 -10.132 331 H TYR 47 H TYR 47 -12.594 3.554 -5.626 332 HA TYR 47 HA TYR 47 -12.800 5.364 -3.481 333 HB2 TYR 47 1HB TYR 47 -11.166 2.824 -3.656 334 HB3 TYR 47 2HB TYR 47 -11.614 3.658 -2.173 335 HD1 TYR 47 2HD TYR 47 -14.352 4.213 -2.266 336 HD2 TYR 47 1HD TYR 47 -12.339 0.870 -3.961 337 HE1 TYR 47 2HE TYR 47 -16.435 2.911 -2.157 338 HE2 TYR 47 1HE TYR 47 -14.417 -0.441 -3.858 339 HH TYR 47 HH TYR 47 -16.704 -0.251 -3.624 340 H ASN 48 H ASN 48 -10.886 5.845 -2.005 341 HA ASN 48 HA ASN 48 -8.704 6.925 -3.657 342 HB2 ASN 48 1HB ASN 48 -9.830 7.836 -1.005 343 HB3 ASN 48 2HB ASN 48 -8.350 8.487 -1.703 344 HD21 ASN 48 1HD2 ASN 48 -8.544 9.415 -3.887 345 HD22 ASN 48 2HD2 ASN 48 -9.995 10.268 -4.282 346 H TYR 49 H TYR 49 -6.722 6.132 -3.411 347 HA TYR 49 HA TYR 49 -6.218 4.302 -1.179 348 HB2 TYR 49 1HB TYR 49 -4.536 4.712 -3.656 349 HB3 TYR 49 2HB TYR 49 -4.426 3.388 -2.500 350 HD1 TYR 49 2HD TYR 49 -6.358 4.799 -5.283 351 HD2 TYR 49 1HD TYR 49 -5.992 1.549 -2.562 352 HE1 TYR 49 2HE TYR 49 -7.930 3.488 -6.647 353 HE2 TYR 49 1HE TYR 49 -7.561 0.228 -3.919 354 HH TYR 49 HH TYR 49 -8.238 0.604 -6.834 355 H GLU 50 H GLU 50 -5.368 5.272 0.545 356 HA GLU 50 HA GLU 50 -3.274 7.299 0.117 357 HB2 GLU 50 1HB GLU 50 -5.154 8.289 1.233 358 HB3 GLU 50 2HB GLU 50 -5.238 6.963 2.384 359 HG2 GLU 50 1HG GLU 50 -3.312 7.667 3.511 360 HG3 GLU 50 2HG GLU 50 -2.825 8.729 2.191 361 H TRP 51 H TRP 51 -1.361 6.313 0.290 362 HA TRP 51 HA TRP 51 -0.981 4.151 2.199 363 HB2 TRP 51 1HB TRP 51 0.847 5.354 0.111 364 HB3 TRP 51 2HB TRP 51 1.306 4.026 1.174 365 HD1 TRP 51 HD TRP 51 -1.046 4.825 -1.759 366 HE1 TRP 51 1HE TRP 51 -1.724 2.611 -2.882 367 HE3 TRP 51 3HE TRP 51 1.060 1.554 1.558 368 HZ2 TRP 51 2HZ TRP 51 -1.409 -0.156 -2.423 369 HZ3 TRP 51 3HZ TRP 51 0.825 -0.860 1.144 370 HH2 TRP 51 HH TRP 51 -0.385 -1.696 -0.805 371 H ASN 52 H ASN 52 0.598 4.167 3.841 372 HA ASN 52 HA ASN 52 2.021 6.598 4.461 373 HB2 ASN 52 1HB ASN 52 -0.413 5.754 5.986 374 HB3 ASN 52 2HB ASN 52 0.923 6.506 6.854 375 HD21 ASN 52 1HD2 ASN 52 -1.765 6.990 4.830 376 HD22 ASN 52 2HD2 ASN 52 -1.606 8.699 4.633 377 H LEU 53 H LEU 53 3.644 6.307 6.016 378 HA LEU 53 HA LEU 53 4.267 3.494 6.556 379 HB2 LEU 53 1HB LEU 53 5.891 4.975 5.336 380 HB3 LEU 53 2HB LEU 53 6.081 5.881 6.835 381 HG LEU 53 HG LEU 53 7.095 4.015 7.922 382 HD11 LEU 53 1HD1 LEU 53 7.508 1.961 6.278 383 HD12 LEU 53 2HD1 LEU 53 5.960 2.511 5.639 384 HD13 LEU 53 3HD1 LEU 53 6.102 2.062 7.339 385 HD21 LEU 53 1HD2 LEU 53 8.303 5.399 6.000 386 HD22 LEU 53 2HD2 LEU 53 8.422 3.793 5.280 387 HD23 LEU 53 3HD2 LEU 53 9.110 4.099 6.875 388 H ILE 54 H ILE 54 3.802 2.738 8.503 389 HA ILE 54 HA ILE 54 3.802 4.604 10.782 390 HB ILE 54 HB ILE 54 2.370 2.878 11.915 391 HG12 ILE 54 1HG1 ILE 54 3.115 1.093 10.180 392 HG13 ILE 54 2HG1 ILE 54 1.452 1.071 10.757 393 HG21 ILE 54 1HG2 ILE 54 0.377 3.391 10.229 394 HG22 ILE 54 2HG2 ILE 54 1.076 4.630 11.271 395 HG23 ILE 54 3HG2 ILE 54 1.569 4.518 9.582 396 HD11 ILE 54 1HD1 ILE 54 1.784 2.730 8.403 397 HD12 ILE 54 2HD1 ILE 54 2.269 1.056 8.135 398 HD13 ILE 54 3HD1 ILE 54 0.646 1.421 8.719 399 H SER 55 H SER 55 5.110 1.653 9.509 400 HA SER 55 HA SER 55 6.692 1.323 11.975 401 HB2 SER 55 1HB SER 55 4.969 -0.521 11.249 402 HB3 SER 55 2HB SER 55 6.223 -0.961 10.089 403 HG SER 55 HG SER 55 7.582 -0.789 12.191 404 H HIS 56 H HIS 56 8.683 2.041 11.626 405 HA HIS 56 HA HIS 56 10.326 0.924 9.586 406 HB2 HIS 56 1HB HIS 56 10.818 2.922 8.317 407 HB3 HIS 56 2HB HIS 56 9.082 2.630 8.265 408 HD1 HIS 56 1HD HIS 56 11.597 5.121 9.267 409 HD2 HIS 56 2HD HIS 56 7.544 4.445 9.881 410 HE1 HIS 56 1HE HIS 56 10.681 7.289 10.152 411 HE2 HIS 56 2HE HIS 56 8.245 6.830 10.596 412 HA PRO 57 HA PRO 57 13.426 1.970 12.513 413 HB2 PRO 57 1HB PRO 57 15.618 2.088 10.916 414 HB3 PRO 57 2HB PRO 57 14.823 0.569 11.346 415 HG2 PRO 57 1HG PRO 57 14.577 2.193 8.844 416 HG3 PRO 57 2HG PRO 57 14.724 0.435 9.027 417 HD2 PRO 57 1HD PRO 57 12.352 1.659 8.570 418 HD3 PRO 57 2HD PRO 57 12.491 0.175 9.535 419 H THR 58 H THR 58 15.072 3.594 13.058 420 HA THR 58 HA THR 58 14.173 6.230 12.385 421 HB THR 58 HB THR 58 15.150 5.390 14.643 422 HG1 THR 58 1HG THR 58 16.358 7.803 14.112 423 HG21 THR 58 1HG2 THR 58 17.291 4.626 13.505 424 HG22 THR 58 2HG2 THR 58 17.484 5.597 14.964 425 HG23 THR 58 3HG2 THR 58 17.714 6.333 13.378 426 H ASP 59 H ASP 59 16.782 4.151 11.391 427 HA ASP 59 HA ASP 59 18.473 6.121 10.273 428 HB2 ASP 59 1HB ASP 59 18.197 3.247 9.376 429 HB3 ASP 59 2HB ASP 59 19.594 4.298 9.161 430 H TYR 60 H TYR 60 15.560 4.611 9.171 431 HA TYR 60 HA TYR 60 15.736 4.850 6.427 432 HB2 TYR 60 1HB TYR 60 13.841 3.796 7.588 433 HB3 TYR 60 2HB TYR 60 13.305 5.374 8.152 434 HD1 TYR 60 1HD TYR 60 14.439 4.125 4.815 435 HD2 TYR 60 2HD TYR 60 11.339 5.947 7.089 436 HE1 TYR 60 1HE TYR 60 13.104 4.397 2.767 437 HE2 TYR 60 2HE TYR 60 9.995 6.223 5.048 438 HH TYR 60 HH TYR 60 10.394 6.382 2.590 439 H GLN 61 H GLN 61 15.604 6.469 4.970 440 HA GLN 61 HA GLN 61 15.107 9.187 5.987 441 HB2 GLN 61 1HB GLN 61 17.278 8.226 4.134 442 HB3 GLN 61 2HB GLN 61 16.789 9.914 4.198 443 HG2 GLN 61 1HG GLN 61 17.227 9.709 6.730 444 HG3 GLN 61 2HG GLN 61 18.132 8.260 6.294 445 HE21 GLN 61 1HE2 GLN 61 20.184 8.504 5.757 446 HE22 GLN 61 2HE2 GLN 61 20.947 9.992 5.326 447 H GLY 62 H GLY 62 14.831 6.894 3.359 448 HA2 GLY 62 1HA GLY 62 13.943 8.342 1.244 449 HA3 GLY 62 2HA GLY 62 13.242 6.792 1.685 450 H GLU 63 H GLU 63 11.850 8.927 0.429 451 HA GLU 63 HA GLU 63 9.902 9.566 2.543 452 HB2 GLU 63 1HB GLU 63 9.486 11.704 1.596 453 HB3 GLU 63 2HB GLU 63 11.233 11.550 1.723 454 HG2 GLU 63 1HG GLU 63 11.210 10.822 -0.698 455 HG3 GLU 63 2HG GLU 63 9.530 11.352 -0.740 456 H ILE 64 H ILE 64 7.855 8.982 2.156 457 HA ILE 64 HA ILE 64 7.241 7.858 -0.489 458 HB ILE 64 HB ILE 64 5.658 7.432 2.039 459 HG12 ILE 64 1HG1 ILE 64 7.702 5.515 0.926 460 HG13 ILE 64 2HG1 ILE 64 8.111 6.700 2.161 461 HG21 ILE 64 1HG2 ILE 64 4.888 6.948 -0.460 462 HG22 ILE 64 2HG2 ILE 64 5.789 5.461 -0.169 463 HG23 ILE 64 3HG2 ILE 64 4.444 5.897 0.884 464 HD11 ILE 64 1HD1 ILE 64 7.025 5.578 3.786 465 HD12 ILE 64 2HD1 ILE 64 5.763 4.999 2.697 466 HD13 ILE 64 3HD1 ILE 64 7.341 4.211 2.717 467 H LYS 65 H LYS 65 5.517 8.543 -1.672 468 HA LYS 65 HA LYS 65 4.336 11.083 -0.885 469 HB2 LYS 65 1HB LYS 65 4.387 9.511 -3.451 470 HB3 LYS 65 2HB LYS 65 3.328 10.899 -3.245 471 HG2 LYS 65 1HG LYS 65 5.462 12.168 -2.584 472 HG3 LYS 65 2HG LYS 65 6.318 10.810 -3.317 473 HD2 LYS 65 1HD LYS 65 5.156 11.190 -5.421 474 HD3 LYS 65 2HD LYS 65 4.237 12.509 -4.693 475 HE2 LYS 65 1HE LYS 65 6.526 13.551 -4.180 476 HE3 LYS 65 2HE LYS 65 7.166 12.387 -5.340 477 HZ1 LYS 65 1HZ LYS 65 6.145 13.417 -7.078 478 HZ2 LYS 65 2HZ LYS 65 6.403 14.762 -6.086 479 HZ3 LYS 65 3HZ LYS 65 4.878 14.032 -6.141 480 H GLN 66 H GLN 66 3.591 8.393 0.292 481 HA GLN 66 HA GLN 66 1.727 7.285 0.987 482 HB2 GLN 66 1HB GLN 66 0.423 9.936 0.346 483 HB3 GLN 66 2HB GLN 66 -0.296 8.659 1.318 484 HG2 GLN 66 1HG GLN 66 1.034 9.082 3.116 485 HG3 GLN 66 2HG GLN 66 2.362 9.693 2.131 486 HE21 GLN 66 1HE2 GLN 66 1.948 11.797 1.044 487 HE22 GLN 66 2HE2 GLN 66 1.068 12.994 1.925 488 H GLY 67 H GLY 67 2.437 7.290 -1.915 489 HA2 GLY 67 1HA GLY 67 1.463 6.824 -3.983 490 HA3 GLY 67 2HA GLY 67 0.760 5.541 -3.010 491 H HIS 68 H HIS 68 0.228 8.702 -4.417 492 HA HIS 68 HA HIS 68 -2.410 9.080 -3.464 493 HB2 HIS 68 1HB HIS 68 -0.788 10.252 -5.695 494 HB3 HIS 68 2HB HIS 68 -2.511 10.601 -5.595 495 HD1 HIS 68 1HD HIS 68 -0.587 10.276 -2.426 496 HD2 HIS 68 2HD HIS 68 -1.934 13.287 -4.952 497 HE1 HIS 68 1HE HIS 68 -0.306 12.414 -1.133 498 HE2 HIS 68 2HE HIS 68 -1.207 14.212 -2.649 499 H LYS 69 H LYS 69 -1.233 6.746 -5.468 500 HA LYS 69 HA LYS 69 -3.822 6.450 -6.847 501 HB2 LYS 69 1HB LYS 69 -1.023 5.925 -7.770 502 HB3 LYS 69 2HB LYS 69 -2.342 4.971 -8.433 503 HG2 LYS 69 1HG LYS 69 -2.367 7.973 -8.445 504 HG3 LYS 69 2HG LYS 69 -1.642 7.019 -9.742 505 HD2 LYS 69 1HD LYS 69 -4.432 6.418 -8.865 506 HD3 LYS 69 2HD LYS 69 -4.134 7.812 -9.906 507 HE2 LYS 69 1HE LYS 69 -3.048 6.366 -11.543 508 HE3 LYS 69 2HE LYS 69 -3.302 4.971 -10.495 509 HZ1 LYS 69 1HZ LYS 69 -5.661 5.207 -10.743 510 HZ2 LYS 69 2HZ LYS 69 -4.962 5.157 -12.282 511 HZ3 LYS 69 3HZ LYS 69 -5.482 6.632 -11.637 512 H GLN 70 H GLN 70 -3.883 3.963 -7.655 513 HA GLN 70 HA GLN 70 -4.284 2.455 -5.292 514 HB2 GLN 70 1HB GLN 70 -5.574 2.177 -7.417 515 HB3 GLN 70 2HB GLN 70 -4.151 1.430 -8.131 516 HG2 GLN 70 1HG GLN 70 -4.245 -0.312 -6.371 517 HG3 GLN 70 2HG GLN 70 -5.751 0.404 -5.799 518 HE21 GLN 70 1HE2 GLN 70 -4.939 -2.223 -7.117 519 HE22 GLN 70 2HE2 GLN 70 -6.104 -2.424 -8.377 520 H THR 71 H THR 71 -1.515 3.076 -7.109 521 HA THR 71 HA THR 71 -0.150 0.749 -5.919 522 HB THR 71 HB THR 71 1.554 1.265 -7.868 523 HG1 THR 71 1HG THR 71 -0.932 2.191 -8.919 524 HG21 THR 71 1HG2 THR 71 -0.957 -0.102 -8.743 525 HG22 THR 71 2HG2 THR 71 -0.024 -0.769 -7.403 526 HG23 THR 71 3HG2 THR 71 0.722 -0.578 -8.989 527 H LEU 72 H LEU 72 1.796 1.086 -4.904 528 HA LEU 72 HA LEU 72 2.640 3.896 -4.621 529 HB2 LEU 72 1HB LEU 72 1.584 2.511 -2.633 530 HB3 LEU 72 2HB LEU 72 3.229 1.893 -2.502 531 HG LEU 72 HG LEU 72 2.167 4.616 -1.928 532 HD11 LEU 72 1HD1 LEU 72 4.414 3.184 -0.569 533 HD12 LEU 72 2HD1 LEU 72 2.739 2.731 -0.255 534 HD13 LEU 72 3HD1 LEU 72 3.287 4.373 0.084 535 HD21 LEU 72 1HD2 LEU 72 4.859 3.992 -3.075 536 HD22 LEU 72 2HD2 LEU 72 4.665 5.306 -1.915 537 HD23 LEU 72 3HD2 LEU 72 3.772 5.333 -3.436 538 H ASN 73 H ASN 73 4.574 4.292 -5.446 539 HA ASN 73 HA ASN 73 6.495 2.075 -5.669 540 HB2 ASN 73 1HB ASN 73 5.838 4.389 -7.410 541 HB3 ASN 73 2HB ASN 73 7.534 3.922 -7.324 542 HD21 ASN 73 1HD2 ASN 73 4.347 2.388 -7.632 543 HD22 ASN 73 2HD2 ASN 73 4.821 1.262 -8.854 544 H LEU 74 H LEU 74 8.397 2.185 -4.641 545 HA LEU 74 HA LEU 74 9.078 4.717 -3.296 546 HB2 LEU 74 1HB LEU 74 9.245 1.873 -2.434 547 HB3 LEU 74 2HB LEU 74 10.448 3.008 -1.826 548 HG LEU 74 HG LEU 74 8.330 4.409 -1.157 549 HD11 LEU 74 1HD1 LEU 74 6.343 3.420 -1.245 550 HD12 LEU 74 2HD1 LEU 74 6.967 1.945 -0.507 551 HD13 LEU 74 3HD1 LEU 74 7.092 2.180 -2.251 552 HD21 LEU 74 1HD2 LEU 74 9.389 1.984 0.276 553 HD22 LEU 74 2HD2 LEU 74 8.286 3.142 1.019 554 HD23 LEU 74 3HD2 LEU 74 9.881 3.666 0.476 555 H SER 75 H SER 75 11.381 5.119 -2.962 556 HA SER 75 HA SER 75 13.213 3.690 -4.716 557 HB2 SER 75 1HB SER 75 13.970 5.741 -5.838 558 HB3 SER 75 2HB SER 75 12.262 5.443 -6.160 559 HG SER 75 HG SER 75 12.118 6.895 -4.107 560 H GLN 76 H GLN 76 15.484 4.636 -4.488 561 HA GLN 76 HA GLN 76 17.253 4.815 -3.048 562 HB2 GLN 76 1HB GLN 76 15.520 7.195 -2.590 563 HB3 GLN 76 2HB GLN 76 16.878 6.946 -1.502 564 HG2 GLN 76 1HG GLN 76 18.200 6.647 -3.755 565 HG3 GLN 76 2HG GLN 76 16.860 7.594 -4.400 566 HE21 GLN 76 1HE2 GLN 76 19.118 8.798 -4.690 567 HE22 GLN 76 2HE2 GLN 76 19.388 10.036 -3.516 568 H LEU 77 H LEU 77 15.254 2.984 -2.156 569 HA LEU 77 HA LEU 77 14.767 3.380 0.637 570 HB2 LEU 77 1HB LEU 77 14.459 1.051 -1.229 571 HB3 LEU 77 2HB LEU 77 14.184 0.886 0.504 572 HG LEU 77 HG LEU 77 12.684 2.810 -1.269 573 HD11 LEU 77 1HD1 LEU 77 11.981 0.029 -0.356 574 HD12 LEU 77 2HD1 LEU 77 12.130 0.615 -2.012 575 HD13 LEU 77 3HD1 LEU 77 10.808 1.182 -0.992 576 HD21 LEU 77 1HD2 LEU 77 11.272 2.064 1.062 577 HD22 LEU 77 2HD2 LEU 77 11.922 3.648 0.637 578 HD23 LEU 77 3HD2 LEU 77 12.906 2.509 1.557 579 H SER 78 H SER 78 15.726 2.335 2.387 580 HA SER 78 HA SER 78 18.415 1.262 1.843 581 HB2 SER 78 1HB SER 78 17.401 2.621 4.352 582 HB3 SER 78 2HB SER 78 19.045 2.045 4.079 583 HG SER 78 HG SER 78 19.419 3.680 2.744 584 H VAL 79 H VAL 79 19.173 -0.108 3.851 585 HA VAL 79 HA VAL 79 17.518 -2.422 3.895 586 HB VAL 79 HB VAL 79 19.965 -1.774 5.546 587 HG11 VAL 79 1HG1 VAL 79 19.706 -3.706 6.610 588 HG12 VAL 79 2HG1 VAL 79 18.107 -3.844 5.876 589 HG13 VAL 79 3HG1 VAL 79 19.506 -4.572 5.087 590 HG21 VAL 79 1HG2 VAL 79 20.981 -1.946 3.556 591 HG22 VAL 79 2HG2 VAL 79 20.680 -3.677 3.717 592 HG23 VAL 79 3HG2 VAL 79 19.568 -2.671 2.790 593 H GLY 80 H GLY 80 15.909 -2.920 5.231 594 HA2 GLY 80 1HA GLY 80 15.713 -2.815 7.906 595 HA3 GLY 80 2HA GLY 80 15.313 -1.163 7.462 596 H LEU 81 H LEU 81 13.423 -2.451 8.793 597 HA LEU 81 HA LEU 81 11.598 -3.762 6.956 598 HB2 LEU 81 1HB LEU 81 11.819 -4.605 9.230 599 HB3 LEU 81 2HB LEU 81 11.312 -3.043 9.870 600 HG LEU 81 HG LEU 81 9.103 -3.422 8.697 601 HD11 LEU 81 1HD1 LEU 81 9.635 -5.087 7.109 602 HD12 LEU 81 2HD1 LEU 81 8.595 -5.862 8.304 603 HD13 LEU 81 3HD1 LEU 81 10.336 -6.141 8.337 604 HD21 LEU 81 1HD2 LEU 81 10.078 -5.118 10.972 605 HD22 LEU 81 2HD2 LEU 81 8.400 -5.176 10.431 606 HD23 LEU 81 3HD2 LEU 81 9.085 -3.661 11.020 607 H TYR 82 H TYR 82 9.692 -2.936 6.200 608 HA TYR 82 HA TYR 82 8.907 -0.239 7.012 609 HB2 TYR 82 1HB TYR 82 9.242 -1.004 4.107 610 HB3 TYR 82 2HB TYR 82 8.773 0.569 4.741 611 HD1 TYR 82 2HD TYR 82 10.474 1.859 6.124 612 HD2 TYR 82 1HD TYR 82 11.505 -1.545 3.788 613 HE1 TYR 82 2HE TYR 82 12.835 2.548 6.171 614 HE2 TYR 82 1HE TYR 82 13.868 -0.866 3.830 615 HH TYR 82 HH TYR 82 15.031 1.728 4.216 616 H VAL 83 H VAL 83 6.814 -0.240 7.453 617 HA VAL 83 HA VAL 83 5.079 -2.175 6.061 618 HB VAL 83 HB VAL 83 4.671 -0.998 8.813 619 HG11 VAL 83 1HG1 VAL 83 2.575 -1.706 8.656 620 HG12 VAL 83 2HG1 VAL 83 2.872 -2.240 7.001 621 HG13 VAL 83 3HG1 VAL 83 3.147 -3.345 8.348 622 HG21 VAL 83 1HG2 VAL 83 6.578 -2.646 8.543 623 HG22 VAL 83 2HG2 VAL 83 5.344 -3.069 9.730 624 HG23 VAL 83 3HG2 VAL 83 5.352 -3.851 8.150 625 H PHE 84 H PHE 84 3.843 -1.215 4.595 626 HA PHE 84 HA PHE 84 3.004 1.562 5.024 627 HB2 PHE 84 1HB PHE 84 2.567 0.083 2.455 628 HB3 PHE 84 2HB PHE 84 2.826 1.805 2.718 629 HD1 PHE 84 2HD PHE 84 5.163 2.515 3.534 630 HD2 PHE 84 1HD PHE 84 4.317 -1.266 1.771 631 HE1 PHE 84 2HE PHE 84 7.546 2.240 2.988 632 HE2 PHE 84 1HE PHE 84 6.699 -1.548 1.224 633 HZ PHE 84 HZ PHE 84 8.317 0.207 1.831 634 H LYS 85 H LYS 85 0.961 2.055 5.485 635 HA LYS 85 HA LYS 85 -1.060 -0.076 5.260 636 HB2 LYS 85 1HB LYS 85 -0.741 0.531 7.555 637 HB3 LYS 85 2HB LYS 85 -0.831 2.246 7.175 638 HG2 LYS 85 1HG LYS 85 -3.178 2.029 6.615 639 HG3 LYS 85 2HG LYS 85 -3.105 0.289 6.905 640 HD2 LYS 85 1HD LYS 85 -3.955 1.034 8.908 641 HD3 LYS 85 2HD LYS 85 -2.225 1.028 9.260 642 HE2 LYS 85 1HE LYS 85 -2.759 3.113 10.017 643 HE3 LYS 85 2HE LYS 85 -2.393 3.498 8.336 644 HZ1 LYS 85 1HZ LYS 85 -4.395 4.515 8.531 645 HZ2 LYS 85 2HZ LYS 85 -4.968 3.451 9.714 646 HZ3 LYS 85 3HZ LYS 85 -4.952 2.979 8.090 647 H VAL 86 H VAL 86 -2.231 0.213 3.474 648 HA VAL 86 HA VAL 86 -2.730 2.858 2.409 649 HB VAL 86 HB VAL 86 -2.272 1.078 0.832 650 HG11 VAL 86 1HG1 VAL 86 -4.769 -0.377 1.095 651 HG12 VAL 86 2HG1 VAL 86 -3.116 -0.982 0.968 652 HG13 VAL 86 3HG1 VAL 86 -3.764 -0.506 2.538 653 HG21 VAL 86 1HG2 VAL 86 -5.195 1.682 0.525 654 HG22 VAL 86 2HG2 VAL 86 -3.969 2.938 0.352 655 HG23 VAL 86 3HG2 VAL 86 -3.957 1.541 -0.724 656 H THR 87 H THR 87 -4.203 4.026 3.484 657 HA THR 87 HA THR 87 -6.570 2.772 4.607 658 HB THR 87 HB THR 87 -6.170 5.737 4.592 659 HG1 THR 87 1HG THR 87 -4.909 4.090 6.523 660 HG21 THR 87 1HG2 THR 87 -8.074 4.178 5.684 661 HG22 THR 87 2HG2 THR 87 -7.572 5.721 6.375 662 HG23 THR 87 3HG2 THR 87 -6.916 4.214 7.013 663 H VAL 88 H VAL 88 -8.102 2.279 3.156 664 HA VAL 88 HA VAL 88 -8.870 4.351 1.203 665 HB VAL 88 HB VAL 88 -9.163 1.352 0.977 666 HG11 VAL 88 1HG1 VAL 88 -9.812 2.131 -1.445 667 HG12 VAL 88 2HG1 VAL 88 -11.021 2.074 -0.162 668 HG13 VAL 88 3HG1 VAL 88 -10.283 3.611 -0.612 669 HG21 VAL 88 1HG2 VAL 88 -7.007 3.050 0.369 670 HG22 VAL 88 2HG2 VAL 88 -7.201 1.352 -0.069 671 HG23 VAL 88 3HG2 VAL 88 -7.747 2.615 -1.172 672 H SER 89 H SER 89 -10.649 5.364 1.848 673 HA SER 89 HA SER 89 -12.910 3.756 2.801 674 HB2 SER 89 1HB SER 89 -13.330 5.107 4.671 675 HB3 SER 89 2HB SER 89 -11.575 4.930 4.689 676 HG SER 89 HG SER 89 -12.880 7.161 4.712 677 H SER 90 H SER 90 -14.986 4.835 2.585 678 HA SER 90 HA SER 90 -14.979 7.031 0.627 679 HB2 SER 90 1HB SER 90 -16.497 5.969 -0.786 680 HB3 SER 90 2HB SER 90 -15.468 4.628 -0.283 681 HG SER 90 HG SER 90 -18.104 4.954 0.079 682 H GLU 91 H GLU 91 -17.526 7.631 0.344 683 HA GLU 91 HA GLU 91 -18.228 8.993 2.669 684 HB2 GLU 91 1HB GLU 91 -20.423 9.360 1.572 685 HB3 GLU 91 2HB GLU 91 -19.059 9.702 0.518 686 HG2 GLU 91 1HG GLU 91 -19.384 7.716 -0.713 687 HG3 GLU 91 2HG GLU 91 -20.514 7.077 0.480 688 H ASN 92 H ASN 92 -19.307 5.861 1.448 689 HA ASN 92 HA ASN 92 -20.556 5.361 4.067 690 HB2 ASN 92 1HB ASN 92 -21.582 4.097 1.538 691 HB3 ASN 92 2HB ASN 92 -22.395 4.276 3.090 692 HD21 ASN 92 1HD2 ASN 92 -23.287 5.030 0.428 693 HD22 ASN 92 2HD2 ASN 92 -23.610 6.726 0.490 694 H ALA 93 H ALA 93 -17.869 4.757 3.238 695 HA ALA 93 HA ALA 93 -17.886 1.916 3.815 696 HB1 ALA 93 1HB ALA 93 -17.951 2.235 1.276 697 HB2 ALA 93 2HB ALA 93 -16.291 2.810 1.437 698 HB3 ALA 93 3HB ALA 93 -16.709 1.172 1.939 699 H PHE 94 H PHE 94 -15.597 1.102 4.127 700 HA PHE 94 HA PHE 94 -13.516 2.997 4.592 701 HB2 PHE 94 1HB PHE 94 -14.659 3.616 6.564 702 HB3 PHE 94 2HB PHE 94 -15.096 1.950 6.932 703 HD1 PHE 94 1HD PHE 94 -11.751 3.159 5.928 704 HD2 PHE 94 2HD PHE 94 -14.217 1.757 9.102 705 HE1 PHE 94 1HE PHE 94 -9.771 2.965 7.377 706 HE2 PHE 94 2HE PHE 94 -12.241 1.562 10.555 707 HZ PHE 94 HZ PHE 94 -10.015 2.167 9.694 708 H GLY 95 H GLY 95 -11.629 1.975 4.373 709 HA2 GLY 95 1HA GLY 95 -11.309 -0.759 5.316 710 HA3 GLY 95 2HA GLY 95 -11.192 -0.537 3.576 711 H GLU 96 H GLU 96 -9.131 -1.496 5.331 712 HA GLU 96 HA GLU 96 -7.062 0.431 4.623 713 HB2 GLU 96 1HB GLU 96 -7.354 -0.669 7.425 714 HB3 GLU 96 2HB GLU 96 -6.021 0.319 6.844 715 HG2 GLU 96 1HG GLU 96 -7.771 2.086 6.313 716 HG3 GLU 96 2HG GLU 96 -8.875 1.118 7.289 717 H GLY 97 H GLY 97 -5.013 -0.478 4.335 718 HA2 GLY 97 1HA GLY 97 -4.961 -3.433 4.417 719 HA3 GLY 97 2HA GLY 97 -4.254 -2.501 3.106 720 H PHE 98 H PHE 98 -2.667 -4.301 4.284 721 HA PHE 98 HA PHE 98 -0.652 -2.619 5.517 722 HB2 PHE 98 1HB PHE 98 -1.899 -4.976 6.921 723 HB3 PHE 98 2HB PHE 98 -0.285 -4.401 7.322 724 HD1 PHE 98 2HD PHE 98 -3.853 -3.454 7.226 725 HD2 PHE 98 1HD PHE 98 0.033 -2.504 8.679 726 HE1 PHE 98 2HE PHE 98 -4.832 -1.778 8.737 727 HE2 PHE 98 1HE PHE 98 -0.940 -0.827 10.194 728 HZ PHE 98 HZ PHE 98 -3.375 -0.461 10.224 729 H VAL 99 H VAL 99 1.161 -3.017 4.453 730 HA VAL 99 HA VAL 99 1.789 -5.785 3.692 731 HB VAL 99 HB VAL 99 0.896 -4.408 1.740 732 HG11 VAL 99 1HG1 VAL 99 2.169 -2.346 2.434 733 HG12 VAL 99 2HG1 VAL 99 3.624 -3.140 1.829 734 HG13 VAL 99 3HG1 VAL 99 2.293 -2.781 0.729 735 HG21 VAL 99 1HG2 VAL 99 3.419 -5.100 0.650 736 HG22 VAL 99 2HG2 VAL 99 3.047 -6.259 1.926 737 HG23 VAL 99 3HG2 VAL 99 1.913 -6.017 0.597 738 H ASN 100 H ASN 100 3.712 -6.378 4.431 739 HA ASN 100 HA ASN 100 5.594 -4.314 5.303 740 HB2 ASN 100 1HB ASN 100 5.638 -7.295 5.824 741 HB3 ASN 100 2HB ASN 100 6.685 -6.092 6.570 742 HD21 ASN 100 1HD2 ASN 100 6.050 -6.479 8.645 743 HD22 ASN 100 2HD2 ASN 100 4.470 -6.111 9.240 744 H VAL 101 H VAL 101 7.597 -4.058 4.454 745 HA VAL 101 HA VAL 101 8.463 -5.938 2.364 746 HB VAL 101 HB VAL 101 8.583 -2.926 2.163 747 HG11 VAL 101 1HG1 VAL 101 10.224 -4.906 0.986 748 HG12 VAL 101 2HG1 VAL 101 9.179 -4.259 -0.281 749 HG13 VAL 101 3HG1 VAL 101 10.199 -3.173 0.664 750 HG21 VAL 101 1HG2 VAL 101 6.877 -5.001 0.820 751 HG22 VAL 101 2HG2 VAL 101 6.370 -3.548 1.682 752 HG23 VAL 101 3HG2 VAL 101 7.151 -3.411 0.106 753 H THR 102 H THR 102 10.516 -6.578 2.544 754 HA THR 102 HA THR 102 12.240 -5.146 4.454 755 HB THR 102 HB THR 102 12.514 -8.021 3.563 756 HG1 THR 102 1HG THR 102 11.494 -7.075 6.046 757 HG21 THR 102 1HG2 THR 102 13.702 -7.739 6.023 758 HG22 THR 102 2HG2 THR 102 14.100 -6.216 5.228 759 HG23 THR 102 3HG2 THR 102 14.546 -7.747 4.476 760 H VAL 103 H VAL 103 14.224 -4.445 3.849 761 HA VAL 103 HA VAL 103 14.968 -4.852 1.028 762 HB VAL 103 HB VAL 103 15.654 -2.570 2.885 763 HG11 VAL 103 1HG1 VAL 103 16.823 -3.457 0.343 764 HG12 VAL 103 2HG1 VAL 103 16.388 -1.748 0.404 765 HG13 VAL 103 3HG1 VAL 103 17.494 -2.422 1.603 766 HG21 VAL 103 1HG2 VAL 103 13.827 -2.807 0.505 767 HG22 VAL 103 2HG2 VAL 103 13.408 -2.345 2.155 768 HG23 VAL 103 3HG2 VAL 103 14.371 -1.259 1.153 769 H LYS 104 H LYS 104 16.356 -6.530 1.006 770 HA LYS 104 HA LYS 104 18.288 -6.977 3.076 771 HB2 LYS 104 1HB LYS 104 18.141 -8.236 0.332 772 HB3 LYS 104 2HB LYS 104 19.030 -8.847 1.721 773 HG2 LYS 104 1HG LYS 104 16.087 -8.449 1.948 774 HG3 LYS 104 2HG LYS 104 16.708 -9.850 1.071 775 HD2 LYS 104 1HD LYS 104 18.156 -10.266 3.144 776 HD3 LYS 104 2HD LYS 104 17.091 -9.119 3.960 777 HE2 LYS 104 1HE LYS 104 16.109 -11.169 4.431 778 HE3 LYS 104 2HE LYS 104 15.181 -10.596 3.046 779 HZ1 LYS 104 1HZ LYS 104 17.383 -12.586 3.005 780 HZ2 LYS 104 2HZ LYS 104 16.640 -11.961 1.620 781 HZ3 LYS 104 3HZ LYS 104 15.742 -12.883 2.719 782 HA PRO 105 HA PRO 105 21.647 -4.565 1.593 783 HB2 PRO 105 1HB PRO 105 23.746 -6.059 2.450 784 HB3 PRO 105 2HB PRO 105 22.730 -5.112 3.544 785 HG2 PRO 105 1HG PRO 105 22.635 -8.040 2.930 786 HG3 PRO 105 2HG PRO 105 22.496 -7.220 4.496 787 HD2 PRO 105 1HD PRO 105 20.342 -8.133 3.132 788 HD3 PRO 105 2HD PRO 105 20.278 -6.687 4.161 789 H ALA 106 H ALA 106 23.353 -4.505 0.051 790 HA ALA 106 HA ALA 106 22.934 -6.038 -2.256 791 HB1 ALA 106 1HB ALA 106 24.328 -3.755 -1.649 792 HB2 ALA 106 2HB ALA 106 25.609 -4.896 -2.058 793 HB3 ALA 106 3HB ALA 106 24.318 -4.569 -3.214 794 H ARG 107 H ARG 107 23.224 -8.180 -2.301 795 HA ARG 107 HA ARG 107 25.382 -9.431 -0.827 796 HB2 ARG 107 1HB ARG 107 23.173 -10.531 -2.564 797 HB3 ARG 107 2HB ARG 107 24.410 -11.542 -1.830 798 HG2 ARG 107 1HG ARG 107 23.678 -10.539 0.394 799 HG3 ARG 107 2HG ARG 107 22.265 -9.942 -0.480 800 HD2 ARG 107 1HD ARG 107 23.098 -12.832 -0.502 801 HD3 ARG 107 2HD ARG 107 22.003 -12.164 0.708 802 HE ARG 107 HE ARG 107 20.997 -11.464 -1.784 803 HH11 ARG 107 2HH1 ARG 107 21.620 -14.360 0.045 804 HH12 ARG 107 1HH1 ARG 107 20.339 -15.260 -0.697 805 HH21 ARG 107 2HH2 ARG 107 19.308 -12.638 -2.768 806 HH22 ARG 107 1HH2 ARG 107 19.025 -14.280 -2.298 807 H SER 108 H SER 108 26.172 -7.646 -2.923 808 HA SER 108 HA SER 108 27.361 -9.522 -4.859 809 HB2 SER 108 1HB SER 108 25.847 -7.616 -5.689 810 HB3 SER 108 2HB SER 108 27.171 -6.538 -5.248 811 HG SER 108 HG SER 108 27.719 -8.781 -6.836 812 H GLY 109 H GLY 109 29.550 -9.552 -5.170 813 HA2 GLY 109 1HA GLY 109 31.652 -8.185 -4.948 814 HA3 GLY 109 2HA GLY 109 31.126 -7.898 -3.296 815 HA PRO 110 HA PRO 110 32.503 -12.547 -3.751 816 HB2 PRO 110 1HB PRO 110 34.255 -12.987 -5.778 817 HB3 PRO 110 2HB PRO 110 32.507 -13.173 -5.962 818 HG2 PRO 110 1HG PRO 110 34.261 -10.877 -6.745 819 HG3 PRO 110 2HG PRO 110 32.930 -11.626 -7.646 820 HD2 PRO 110 1HD PRO 110 32.636 -9.314 -6.267 821 HD3 PRO 110 2HD PRO 110 31.317 -10.487 -6.457 822 H SER 111 H SER 111 34.664 -13.586 -3.347 823 HA SER 111 HA SER 111 36.179 -12.327 -1.523 824 HB2 SER 111 1HB SER 111 36.385 -14.737 -2.341 825 HB3 SER 111 2HB SER 111 37.484 -14.118 -3.573 826 HG SER 111 HG SER 111 38.484 -13.094 -1.515 827 H SER 112 H SER 112 37.151 -12.490 -4.954 828 HA SER 112 HA SER 112 38.398 -9.848 -4.645 829 HB2 SER 112 1HB SER 112 40.427 -10.508 -5.621 830 HB3 SER 112 2HB SER 112 40.046 -11.847 -4.538 831 HG SER 112 HG SER 112 38.910 -12.606 -6.651 832 H GLY 113 H GLY 113 38.468 -8.576 -6.519 833 HA2 GLY 113 1HA GLY 113 37.737 -7.790 -8.548 834 HA3 GLY 113 2HA GLY 113 37.718 -9.462 -9.088 Start of MODEL 7 1 H1 GLY 1 H GLY 1 -27.778 6.424 18.507 2 HA2 GLY 1 1HA GLY 1 -28.215 7.818 16.476 3 HA3 GLY 1 2HA GLY 1 -28.671 9.091 17.598 4 H SER 2 H SER 2 -27.175 10.618 17.667 5 HA SER 2 HA SER 2 -24.459 10.131 16.908 6 HB2 SER 2 1HB SER 2 -25.710 12.596 18.146 7 HB3 SER 2 2HB SER 2 -24.119 12.517 17.388 8 HG SER 2 HG SER 2 -25.386 13.202 15.778 9 H SER 3 H SER 3 -25.935 11.280 19.947 10 HA SER 3 HA SER 3 -23.596 11.117 21.487 11 HB2 SER 3 1HB SER 3 -26.519 11.071 22.235 12 HB3 SER 3 2HB SER 3 -25.236 11.036 23.444 13 HG SER 3 HG SER 3 -24.511 12.986 22.018 14 H GLY 4 H GLY 4 -26.282 8.813 21.118 15 HA2 GLY 4 1HA GLY 4 -25.247 6.855 22.867 16 HA3 GLY 4 2HA GLY 4 -26.436 6.574 21.604 17 H SER 5 H SER 5 -24.518 4.682 22.247 18 HA SER 5 HA SER 5 -22.189 4.799 20.668 19 HB2 SER 5 1HB SER 5 -23.681 2.311 21.529 20 HB3 SER 5 2HB SER 5 -21.977 2.423 21.089 21 HG SER 5 HG SER 5 -23.286 3.410 23.383 22 H SER 6 H SER 6 -21.696 3.911 18.661 23 HA SER 6 HA SER 6 -23.552 4.224 16.626 24 HB2 SER 6 1HB SER 6 -20.956 2.694 16.747 25 HB3 SER 6 2HB SER 6 -21.904 2.807 15.264 26 HG SER 6 HG SER 6 -21.102 5.084 16.740 27 H GLY 7 H GLY 7 -24.754 2.796 15.357 28 HA2 GLY 7 1HA GLY 7 -24.820 -0.003 15.718 29 HA3 GLY 7 2HA GLY 7 -26.081 0.733 16.695 30 HA PRO 8 HA PRO 8 -28.775 1.155 13.264 31 HB2 PRO 8 1HB PRO 8 -29.605 3.740 13.300 32 HB3 PRO 8 2HB PRO 8 -30.113 2.551 14.505 33 HG2 PRO 8 1HG PRO 8 -27.981 4.645 14.691 34 HG3 PRO 8 2HG PRO 8 -29.192 4.171 15.896 35 HD2 PRO 8 1HD PRO 8 -26.624 3.320 15.999 36 HD3 PRO 8 2HD PRO 8 -27.981 2.331 16.574 37 H ARG 9 H ARG 9 -25.857 2.812 13.246 38 HA ARG 9 HA ARG 9 -26.138 3.370 10.373 39 HB2 ARG 9 1HB ARG 9 -24.839 5.403 10.593 40 HB3 ARG 9 2HB ARG 9 -26.247 5.489 11.642 41 HG2 ARG 9 1HG ARG 9 -24.669 6.263 13.076 42 HG3 ARG 9 2HG ARG 9 -24.535 4.537 13.416 43 HD2 ARG 9 1HD ARG 9 -22.327 5.088 13.115 44 HD3 ARG 9 2HD ARG 9 -22.773 4.605 11.479 45 HE ARG 9 HE ARG 9 -23.246 7.264 11.480 46 HH11 ARG 9 2HH1 ARG 9 -20.499 5.330 12.393 47 HH12 ARG 9 1HH1 ARG 9 -19.339 6.548 11.978 48 HH21 ARG 9 2HH2 ARG 9 -21.728 8.875 10.929 49 HH22 ARG 9 1HH2 ARG 9 -20.039 8.564 11.146 50 H THR 10 H THR 10 -24.417 2.817 9.111 51 HA THR 10 HA THR 10 -21.822 2.255 10.179 52 HB THR 10 HB THR 10 -22.613 0.188 10.927 53 HG1 THR 10 1HG THR 10 -20.838 -0.307 9.728 54 HG21 THR 10 1HG2 THR 10 -23.891 -0.908 8.583 55 HG22 THR 10 2HG2 THR 10 -24.676 0.590 9.083 56 HG23 THR 10 3HG2 THR 10 -24.514 -0.745 10.224 57 H VAL 11 H VAL 11 -20.405 1.208 8.443 58 HA VAL 11 HA VAL 11 -21.230 2.239 5.806 59 HB VAL 11 HB VAL 11 -18.861 2.598 5.306 60 HG11 VAL 11 1HG1 VAL 11 -19.974 4.503 6.144 61 HG12 VAL 11 2HG1 VAL 11 -19.933 3.893 7.800 62 HG13 VAL 11 3HG1 VAL 11 -18.443 4.420 7.015 63 HG21 VAL 11 1HG2 VAL 11 -17.251 2.499 7.268 64 HG22 VAL 11 2HG2 VAL 11 -18.468 1.518 8.085 65 HG23 VAL 11 3HG2 VAL 11 -17.748 0.953 6.578 66 H LYS 12 H LYS 12 -19.998 1.166 3.968 67 HA LYS 12 HA LYS 12 -20.496 -1.646 4.082 68 HB2 LYS 12 1HB LYS 12 -19.508 0.255 1.990 69 HB3 LYS 12 2HB LYS 12 -19.340 -1.477 1.731 70 HG2 LYS 12 1HG LYS 12 -21.752 -1.754 2.000 71 HG3 LYS 12 2HG LYS 12 -21.921 -0.016 2.259 72 HD2 LYS 12 1HD LYS 12 -22.434 -0.241 0.010 73 HD3 LYS 12 2HD LYS 12 -20.722 0.188 -0.033 74 HE2 LYS 12 1HE LYS 12 -21.474 -2.691 0.081 75 HE3 LYS 12 2HE LYS 12 -21.673 -1.829 -1.443 76 HZ1 LYS 12 1HZ LYS 12 -19.275 -2.731 -0.160 77 HZ2 LYS 12 2HZ LYS 12 -19.190 -1.104 -0.615 78 HZ3 LYS 12 3HZ LYS 12 -19.535 -2.289 -1.772 79 H GLU 13 H GLU 13 -19.156 -3.151 4.807 80 HA GLU 13 HA GLU 13 -16.456 -2.573 5.508 81 HB2 GLU 13 1HB GLU 13 -16.332 -4.941 6.144 82 HB3 GLU 13 2HB GLU 13 -17.779 -4.176 6.785 83 HG2 GLU 13 1HG GLU 13 -18.938 -5.121 4.687 84 HG3 GLU 13 2HG GLU 13 -17.526 -6.171 4.574 85 H LEU 14 H LEU 14 -14.944 -2.285 4.004 86 HA LEU 14 HA LEU 14 -15.001 -3.918 1.572 87 HB2 LEU 14 1HB LEU 14 -13.280 -1.529 2.212 88 HB3 LEU 14 2HB LEU 14 -13.442 -2.322 0.647 89 HG LEU 14 HG LEU 14 -15.756 -0.976 2.019 90 HD11 LEU 14 1HD1 LEU 14 -14.814 0.598 -0.123 91 HD12 LEU 14 2HD1 LEU 14 -13.434 0.264 0.923 92 HD13 LEU 14 3HD1 LEU 14 -14.885 1.014 1.589 93 HD21 LEU 14 1HD2 LEU 14 -16.262 -0.779 -0.578 94 HD22 LEU 14 2HD2 LEU 14 -16.694 -2.213 0.354 95 HD23 LEU 14 3HD2 LEU 14 -15.229 -2.208 -0.629 96 H THR 15 H THR 15 -13.398 -5.318 1.030 97 HA THR 15 HA THR 15 -11.464 -5.952 3.133 98 HB THR 15 HB THR 15 -12.171 -7.563 0.674 99 HG1 THR 15 1HG THR 15 -13.153 -8.858 2.569 100 HG21 THR 15 1HG2 THR 15 -9.928 -7.808 2.125 101 HG22 THR 15 2HG2 THR 15 -10.757 -9.187 1.403 102 HG23 THR 15 3HG2 THR 15 -11.011 -8.796 3.104 103 H VAL 16 H VAL 16 -9.828 -4.474 2.821 104 HA VAL 16 HA VAL 16 -8.634 -4.195 0.179 105 HB VAL 16 HB VAL 16 -7.928 -2.862 2.797 106 HG11 VAL 16 1HG1 VAL 16 -7.036 -1.673 0.263 107 HG12 VAL 16 2HG1 VAL 16 -6.196 -1.821 1.808 108 HG13 VAL 16 3HG1 VAL 16 -6.247 -3.190 0.696 109 HG21 VAL 16 1HG2 VAL 16 -9.749 -2.175 0.554 110 HG22 VAL 16 2HG2 VAL 16 -9.913 -1.862 2.282 111 HG23 VAL 16 3HG2 VAL 16 -8.835 -0.866 1.305 112 H SER 17 H SER 17 -6.712 -5.028 -0.434 113 HA SER 17 HA SER 17 -4.913 -6.194 1.527 114 HB2 SER 17 1HB SER 17 -6.549 -8.002 0.963 115 HB3 SER 17 2HB SER 17 -6.030 -7.889 -0.719 116 HG SER 17 HG SER 17 -3.841 -8.280 0.200 117 H ALA 18 H ALA 18 -2.880 -5.784 0.968 118 HA ALA 18 HA ALA 18 -2.278 -4.520 -1.527 119 HB1 ALA 18 1HB ALA 18 -0.151 -5.508 0.320 120 HB2 ALA 18 2HB ALA 18 -0.217 -4.023 -0.630 121 HB3 ALA 18 3HB ALA 18 -1.200 -4.183 0.825 122 H GLY 19 H GLY 19 -1.849 -7.734 -0.180 123 HA2 GLY 19 1HA GLY 19 -1.906 -9.371 -2.190 124 HA3 GLY 19 2HA GLY 19 -0.397 -8.567 -2.598 125 H ASP 20 H ASP 20 1.327 -8.639 -0.937 126 HA ASP 20 HA ASP 20 1.258 -10.439 1.225 127 HB2 ASP 20 1HB ASP 20 1.073 -12.079 -0.666 128 HB3 ASP 20 2HB ASP 20 2.661 -11.546 -1.213 129 H ASN 21 H ASN 21 3.372 -10.743 2.218 130 HA ASN 21 HA ASN 21 4.887 -8.443 2.347 131 HB2 ASN 21 1HB ASN 21 6.486 -9.693 3.630 132 HB3 ASN 21 2HB ASN 21 4.888 -10.330 4.006 133 HD21 ASN 21 1HD2 ASN 21 4.481 -12.428 3.674 134 HD22 ASN 21 2HD2 ASN 21 5.587 -13.545 2.959 135 H LEU 22 H LEU 22 6.666 -7.650 1.336 136 HA LEU 22 HA LEU 22 7.718 -9.215 -0.929 137 HB2 LEU 22 1HB LEU 22 7.514 -6.216 -0.724 138 HB3 LEU 22 2HB LEU 22 8.092 -7.137 -2.111 139 HG LEU 22 HG LEU 22 5.956 -6.518 -2.751 140 HD11 LEU 22 1HD1 LEU 22 4.727 -8.506 -2.933 141 HD12 LEU 22 2HD1 LEU 22 5.329 -9.122 -1.394 142 HD13 LEU 22 3HD1 LEU 22 6.407 -9.024 -2.786 143 HD21 LEU 22 1HD2 LEU 22 5.201 -5.527 -0.698 144 HD22 LEU 22 2HD2 LEU 22 5.073 -7.109 0.071 145 HD23 LEU 22 3HD2 LEU 22 3.984 -6.679 -1.249 146 H ILE 23 H ILE 23 9.914 -9.262 -1.256 147 HA ILE 23 HA ILE 23 11.598 -7.813 0.668 148 HB ILE 23 HB ILE 23 11.878 -10.736 -0.039 149 HG12 ILE 23 1HG1 ILE 23 11.427 -9.491 2.674 150 HG13 ILE 23 2HG1 ILE 23 10.108 -10.056 1.655 151 HG21 ILE 23 1HG2 ILE 23 14.058 -9.720 0.118 152 HG22 ILE 23 2HG2 ILE 23 13.627 -8.949 1.643 153 HG23 ILE 23 3HG2 ILE 23 13.771 -10.704 1.553 154 HD11 ILE 23 1HD1 ILE 23 12.372 -11.777 2.633 155 HD12 ILE 23 2HD1 ILE 23 10.777 -11.678 3.380 156 HD13 ILE 23 3HD1 ILE 23 10.945 -12.306 1.741 157 H ILE 24 H ILE 24 13.090 -6.660 -0.345 158 HA ILE 24 HA ILE 24 13.987 -7.547 -3.010 159 HB ILE 24 HB ILE 24 14.676 -4.974 -3.078 160 HG12 ILE 24 1HG1 ILE 24 12.236 -5.049 -1.289 161 HG13 ILE 24 2HG1 ILE 24 13.837 -4.478 -0.831 162 HG21 ILE 24 1HG2 ILE 24 11.874 -5.946 -3.621 163 HG22 ILE 24 2HG2 ILE 24 12.665 -4.555 -4.361 164 HG23 ILE 24 3HG2 ILE 24 13.259 -6.183 -4.687 165 HD11 ILE 24 1HD1 ILE 24 12.366 -2.618 -1.276 166 HD12 ILE 24 2HD1 ILE 24 13.648 -2.680 -2.486 167 HD13 ILE 24 3HD1 ILE 24 12.026 -3.241 -2.891 168 H THR 25 H THR 25 16.202 -6.730 -3.593 169 HA THR 25 HA THR 25 17.986 -6.563 -1.266 170 HB THR 25 HB THR 25 18.482 -8.374 -3.637 171 HG1 THR 25 1HG THR 25 18.406 -9.847 -1.550 172 HG21 THR 25 1HG2 THR 25 20.506 -7.364 -2.598 173 HG22 THR 25 2HG2 THR 25 20.435 -9.118 -2.436 174 HG23 THR 25 3HG2 THR 25 20.032 -8.088 -1.063 175 H LEU 26 H LEU 26 19.732 -5.246 -1.514 176 HA LEU 26 HA LEU 26 19.698 -3.245 -3.452 177 HB2 LEU 26 1HB LEU 26 21.843 -4.223 -1.594 178 HB3 LEU 26 2HB LEU 26 22.111 -2.870 -2.691 179 HG LEU 26 HG LEU 26 20.060 -2.986 -0.480 180 HD11 LEU 26 1HD1 LEU 26 21.988 -2.611 0.675 181 HD12 LEU 26 2HD1 LEU 26 21.604 -0.957 0.203 182 HD13 LEU 26 3HD1 LEU 26 22.806 -1.875 -0.703 183 HD21 LEU 26 1HD2 LEU 26 20.518 -0.365 -1.461 184 HD22 LEU 26 2HD2 LEU 26 19.024 -1.303 -1.485 185 HD23 LEU 26 3HD2 LEU 26 20.152 -1.405 -2.838 186 HA PRO 27 HA PRO 27 21.474 -1.844 -4.262 187 HB2 PRO 27 1HB PRO 27 21.312 -0.848 -6.783 188 HB3 PRO 27 2HB PRO 27 22.844 -1.301 -6.026 189 HG2 PRO 27 1HG PRO 27 21.166 -2.836 -7.972 190 HG3 PRO 27 2HG PRO 27 22.926 -2.628 -7.934 191 HD2 PRO 27 1HD PRO 27 21.704 -4.866 -7.022 192 HD3 PRO 27 2HD PRO 27 23.208 -4.243 -6.314 193 H ASP 28 H ASP 28 19.398 -3.707 -6.369 194 HA ASP 28 HA ASP 28 17.335 -2.067 -6.988 195 HB2 ASP 28 1HB ASP 28 17.474 -4.938 -6.216 196 HB3 ASP 28 2HB ASP 28 15.877 -4.198 -6.294 197 H ASN 29 H ASN 29 16.685 -0.455 -5.672 198 HA ASN 29 HA ASN 29 15.661 -1.217 -3.015 199 HB2 ASN 29 1HB ASN 29 16.071 1.393 -2.650 200 HB3 ASN 29 2HB ASN 29 17.342 0.204 -2.378 201 HD21 ASN 29 1HD2 ASN 29 15.956 1.905 -5.172 202 HD22 ASN 29 2HD2 ASN 29 17.473 2.402 -5.833 203 H GLU 30 H GLU 30 14.328 -1.097 -5.681 204 HA GLU 30 HA GLU 30 12.232 0.853 -4.981 205 HB2 GLU 30 1HB GLU 30 12.959 -0.047 -7.772 206 HB3 GLU 30 2HB GLU 30 11.779 1.180 -7.334 207 HG2 GLU 30 1HG GLU 30 13.580 2.569 -6.419 208 HG3 GLU 30 2HG GLU 30 14.753 1.346 -6.904 209 H VAL 31 H VAL 31 10.159 0.148 -4.941 210 HA VAL 31 HA VAL 31 9.521 -2.496 -6.009 211 HB VAL 31 HB VAL 31 10.055 -3.110 -3.788 212 HG11 VAL 31 1HG1 VAL 31 8.877 -1.906 -1.852 213 HG12 VAL 31 2HG1 VAL 31 10.243 -1.095 -2.620 214 HG13 VAL 31 3HG1 VAL 31 8.593 -0.608 -3.012 215 HG21 VAL 31 1HG2 VAL 31 7.082 -2.677 -3.669 216 HG22 VAL 31 2HG2 VAL 31 7.824 -3.866 -4.739 217 HG23 VAL 31 3HG2 VAL 31 8.023 -4.006 -2.992 218 H GLU 32 H GLU 32 7.400 -2.750 -6.621 219 HA GLU 32 HA GLU 32 5.704 -0.354 -6.365 220 HB2 GLU 32 1HB GLU 32 6.282 -0.660 -8.661 221 HB3 GLU 32 2HB GLU 32 5.929 -2.380 -8.588 222 HG2 GLU 32 1HG GLU 32 3.656 -2.061 -8.666 223 HG3 GLU 32 2HG GLU 32 3.757 -0.421 -8.027 224 H LEU 33 H LEU 33 4.186 -0.672 -4.879 225 HA LEU 33 HA LEU 33 3.076 -3.351 -4.492 226 HB2 LEU 33 1HB LEU 33 2.475 -0.923 -2.833 227 HB3 LEU 33 2HB LEU 33 2.299 -2.620 -2.393 228 HG LEU 33 HG LEU 33 5.030 -1.582 -2.971 229 HD11 LEU 33 1HD1 LEU 33 3.901 -1.283 -0.224 230 HD12 LEU 33 2HD1 LEU 33 3.693 0.007 -1.407 231 HD13 LEU 33 3HD1 LEU 33 5.313 -0.515 -0.949 232 HD21 LEU 33 1HD2 LEU 33 5.195 -3.792 -2.468 233 HD22 LEU 33 2HD2 LEU 33 3.749 -3.786 -1.457 234 HD23 LEU 33 3HD2 LEU 33 5.266 -3.140 -0.830 235 H LYS 34 H LYS 34 0.746 -3.596 -4.213 236 HA LYS 34 HA LYS 34 -0.899 -1.548 -5.496 237 HB2 LYS 34 1HB LYS 34 -0.050 -3.313 -7.177 238 HB3 LYS 34 2HB LYS 34 -1.151 -4.418 -6.364 239 HG2 LYS 34 1HG LYS 34 -2.949 -2.649 -6.821 240 HG3 LYS 34 2HG LYS 34 -1.790 -1.971 -7.967 241 HD2 LYS 34 1HD LYS 34 -1.647 -4.319 -8.954 242 HD3 LYS 34 2HD LYS 34 -3.087 -4.684 -8.000 243 HE2 LYS 34 1HE LYS 34 -3.860 -4.069 -10.147 244 HE3 LYS 34 2HE LYS 34 -4.168 -2.684 -9.101 245 HZ1 LYS 34 1HZ LYS 34 -2.225 -2.976 -11.274 246 HZ2 LYS 34 2HZ LYS 34 -1.822 -1.970 -9.975 247 HZ3 LYS 34 3HZ LYS 34 -3.216 -1.661 -10.883 248 H ALA 35 H ALA 35 -2.848 -1.336 -4.567 249 HA ALA 35 HA ALA 35 -3.514 -3.151 -2.383 250 HB1 ALA 35 1HB ALA 35 -3.497 -0.651 -2.101 251 HB2 ALA 35 2HB ALA 35 -4.931 -0.602 -3.126 252 HB3 ALA 35 3HB ALA 35 -4.977 -1.462 -1.587 253 H PHE 36 H PHE 36 -5.445 -4.269 -2.218 254 HA PHE 36 HA PHE 36 -7.139 -4.315 -4.625 255 HB2 PHE 36 1HB PHE 36 -6.008 -6.645 -3.082 256 HB3 PHE 36 2HB PHE 36 -7.414 -6.811 -4.129 257 HD1 PHE 36 1HD PHE 36 -7.167 -6.218 -6.573 258 HD2 PHE 36 2HD PHE 36 -3.845 -6.696 -3.957 259 HE1 PHE 36 1HE PHE 36 -5.687 -6.527 -8.515 260 HE2 PHE 36 2HE PHE 36 -2.359 -7.005 -5.893 261 HZ PHE 36 HZ PHE 36 -3.280 -6.919 -8.176 262 H VAL 37 H VAL 37 -9.037 -3.505 -4.024 263 HA VAL 37 HA VAL 37 -10.169 -4.364 -1.440 264 HB VAL 37 HB VAL 37 -9.694 -1.967 -1.448 265 HG11 VAL 37 1HG1 VAL 37 -11.755 -1.297 -3.428 266 HG12 VAL 37 2HG1 VAL 37 -10.181 -0.556 -3.128 267 HG13 VAL 37 3HG1 VAL 37 -10.295 -2.027 -4.095 268 HG21 VAL 37 1HG2 VAL 37 -11.607 -2.732 -0.177 269 HG22 VAL 37 2HG2 VAL 37 -11.958 -1.157 -0.889 270 HG23 VAL 37 3HG2 VAL 37 -12.636 -2.620 -1.605 271 H ALA 38 H ALA 38 -11.920 -5.592 -1.570 272 HA ALA 38 HA ALA 38 -13.534 -5.482 -4.036 273 HB1 ALA 38 1HB ALA 38 -12.726 -7.618 -4.116 274 HB2 ALA 38 2HB ALA 38 -12.629 -7.767 -2.361 275 HB3 ALA 38 3HB ALA 38 -14.192 -7.881 -3.170 276 HA PRO 39 HA PRO 39 -15.451 -6.505 -4.694 277 HB2 PRO 39 1HB PRO 39 -17.564 -5.045 -5.572 278 HB3 PRO 39 2HB PRO 39 -17.748 -6.563 -4.686 279 HG2 PRO 39 1HG PRO 39 -17.946 -3.749 -3.684 280 HG3 PRO 39 2HG PRO 39 -18.979 -5.143 -3.317 281 HD2 PRO 39 1HD PRO 39 -17.037 -4.285 -1.636 282 HD3 PRO 39 2HD PRO 39 -17.495 -5.995 -1.772 283 H ALA 40 H ALA 40 -15.069 -5.493 -6.758 284 HA ALA 40 HA ALA 40 -13.389 -3.192 -6.565 285 HB1 ALA 40 1HB ALA 40 -13.173 -5.185 -8.167 286 HB2 ALA 40 2HB ALA 40 -14.377 -4.349 -9.149 287 HB3 ALA 40 3HB ALA 40 -12.832 -3.574 -8.798 288 HA PRO 41 HA PRO 41 -16.397 -0.033 -7.212 289 HB2 PRO 41 1HB PRO 41 -14.727 1.940 -8.040 290 HB3 PRO 41 2HB PRO 41 -14.831 1.413 -6.356 291 HG2 PRO 41 1HG PRO 41 -12.819 0.681 -8.449 292 HG3 PRO 41 2HG PRO 41 -12.561 1.089 -6.743 293 HD2 PRO 41 1HD PRO 41 -12.581 -1.464 -7.643 294 HD3 PRO 41 2HD PRO 41 -13.146 -1.020 -6.019 295 HA PRO 42 HA PRO 42 -17.455 -0.026 -11.487 296 HB2 PRO 42 1HB PRO 42 -18.873 2.284 -11.636 297 HB3 PRO 42 2HB PRO 42 -19.490 0.828 -10.846 298 HG2 PRO 42 1HG PRO 42 -18.234 3.257 -9.628 299 HG3 PRO 42 2HG PRO 42 -19.655 2.343 -9.090 300 HD2 PRO 42 1HD PRO 42 -17.215 2.041 -7.956 301 HD3 PRO 42 2HD PRO 42 -18.380 0.708 -8.084 302 H VAL 43 H VAL 43 -17.718 1.901 -13.286 303 HA VAL 43 HA VAL 43 -15.020 2.700 -13.818 304 HB VAL 43 HB VAL 43 -16.484 1.999 -15.641 305 HG11 VAL 43 1HG1 VAL 43 -18.026 4.555 -15.327 306 HG12 VAL 43 2HG1 VAL 43 -18.418 3.139 -16.306 307 HG13 VAL 43 3HG1 VAL 43 -18.541 3.059 -14.548 308 HG21 VAL 43 1HG2 VAL 43 -15.888 4.917 -16.038 309 HG22 VAL 43 2HG2 VAL 43 -14.613 3.702 -15.935 310 HG23 VAL 43 3HG2 VAL 43 -15.817 3.610 -17.220 311 H GLU 44 H GLU 44 -17.964 4.314 -12.771 312 HA GLU 44 HA GLU 44 -16.819 6.951 -12.979 313 HB2 GLU 44 1HB GLU 44 -19.403 5.887 -11.856 314 HB3 GLU 44 2HB GLU 44 -18.942 7.575 -11.688 315 HG2 GLU 44 1HG GLU 44 -18.663 7.530 -14.244 316 HG3 GLU 44 2HG GLU 44 -19.610 6.046 -14.169 317 H THR 45 H THR 45 -18.326 5.444 -10.136 318 HA THR 45 HA THR 45 -16.890 6.977 -8.275 319 HB THR 45 HB THR 45 -18.100 4.259 -7.750 320 HG1 THR 45 1HG THR 45 -19.846 5.973 -7.030 321 HG21 THR 45 1HG2 THR 45 -18.574 5.528 -5.518 322 HG22 THR 45 2HG2 THR 45 -17.251 6.568 -6.047 323 HG23 THR 45 3HG2 THR 45 -16.977 4.842 -5.812 324 H THR 46 H THR 46 -14.965 6.731 -7.301 325 HA THR 46 HA THR 46 -13.553 4.179 -7.507 326 HB THR 46 HB THR 46 -11.437 5.465 -8.118 327 HG1 THR 46 1HG THR 46 -12.182 7.576 -7.826 328 HG21 THR 46 1HG2 THR 46 -13.231 4.143 -9.659 329 HG22 THR 46 2HG2 THR 46 -11.714 4.809 -10.263 330 HG23 THR 46 3HG2 THR 46 -13.214 5.717 -10.454 331 H TYR 47 H TYR 47 -12.917 3.661 -5.529 332 HA TYR 47 HA TYR 47 -13.014 5.294 -3.298 333 HB2 TYR 47 1HB TYR 47 -11.140 2.948 -3.630 334 HB3 TYR 47 2HB TYR 47 -11.810 3.572 -2.126 335 HD1 TYR 47 2HD TYR 47 -14.654 3.935 -2.929 336 HD2 TYR 47 1HD TYR 47 -11.940 0.749 -3.697 337 HE1 TYR 47 2HE TYR 47 -16.547 2.376 -3.123 338 HE2 TYR 47 1HE TYR 47 -13.825 -0.818 -3.894 339 HH TYR 47 HH TYR 47 -16.828 -0.019 -4.450 340 H ASN 48 H ASN 48 -10.889 5.498 -1.846 341 HA ASN 48 HA ASN 48 -8.902 6.929 -3.486 342 HB2 ASN 48 1HB ASN 48 -9.938 8.635 -2.285 343 HB3 ASN 48 2HB ASN 48 -10.170 7.627 -0.860 344 HD21 ASN 48 1HD2 ASN 48 -9.108 8.587 0.724 345 HD22 ASN 48 2HD2 ASN 48 -7.465 9.117 0.660 346 H TYR 49 H TYR 49 -6.763 6.576 -3.100 347 HA TYR 49 HA TYR 49 -6.123 4.511 -1.099 348 HB2 TYR 49 1HB TYR 49 -4.559 5.130 -3.608 349 HB3 TYR 49 2HB TYR 49 -4.342 3.759 -2.526 350 HD1 TYR 49 1HD TYR 49 -5.900 1.881 -2.567 351 HD2 TYR 49 2HD TYR 49 -6.352 5.166 -5.232 352 HE1 TYR 49 1HE TYR 49 -7.446 0.548 -3.938 353 HE2 TYR 49 2HE TYR 49 -7.902 3.843 -6.610 354 HH TYR 49 HH TYR 49 -8.276 1.283 -7.013 355 H GLU 50 H GLU 50 -5.175 5.364 0.625 356 HA GLU 50 HA GLU 50 -3.163 7.477 0.212 357 HB2 GLU 50 1HB GLU 50 -5.110 8.457 1.266 358 HB3 GLU 50 2HB GLU 50 -5.134 7.189 2.483 359 HG2 GLU 50 1HG GLU 50 -3.307 8.042 3.604 360 HG3 GLU 50 2HG GLU 50 -2.729 8.932 2.196 361 H TRP 51 H TRP 51 -1.272 6.443 0.419 362 HA TRP 51 HA TRP 51 -0.944 4.340 2.398 363 HB2 TRP 51 1HB TRP 51 0.967 5.467 0.341 364 HB3 TRP 51 2HB TRP 51 1.329 4.114 1.409 365 HD1 TRP 51 HD TRP 51 -0.985 5.037 -1.533 366 HE1 TRP 51 1HE TRP 51 -1.691 2.862 -2.714 367 HE3 TRP 51 3HE TRP 51 1.093 1.654 1.687 368 HZ2 TRP 51 2HZ TRP 51 -1.405 0.080 -2.331 369 HZ3 TRP 51 3HZ TRP 51 0.831 -0.745 1.208 370 HH2 TRP 51 HH TRP 51 -0.393 -1.514 -0.760 371 H ASN 52 H ASN 52 0.576 4.388 4.081 372 HA ASN 52 HA ASN 52 1.984 6.855 4.658 373 HB2 ASN 52 1HB ASN 52 -0.391 5.918 6.227 374 HB3 ASN 52 2HB ASN 52 0.923 6.748 7.055 375 HD21 ASN 52 1HD2 ASN 52 -1.806 7.060 5.036 376 HD22 ASN 52 2HD2 ASN 52 -1.744 8.774 4.829 377 H LEU 53 H LEU 53 3.744 6.561 5.966 378 HA LEU 53 HA LEU 53 4.490 3.805 6.488 379 HB2 LEU 53 1HB LEU 53 6.006 5.553 5.450 380 HB3 LEU 53 2HB LEU 53 6.115 6.271 7.056 381 HG LEU 53 HG LEU 53 7.375 4.513 7.896 382 HD11 LEU 53 1HD1 LEU 53 6.237 2.572 7.433 383 HD12 LEU 53 2HD1 LEU 53 7.654 2.392 6.399 384 HD13 LEU 53 3HD1 LEU 53 6.120 2.921 5.708 385 HD21 LEU 53 1HD2 LEU 53 8.361 4.298 5.093 386 HD22 LEU 53 2HD2 LEU 53 9.261 4.517 6.594 387 HD23 LEU 53 3HD2 LEU 53 8.382 5.873 5.887 388 H ILE 54 H ILE 54 4.472 2.844 8.419 389 HA ILE 54 HA ILE 54 4.079 4.530 10.805 390 HB ILE 54 HB ILE 54 2.873 2.507 11.768 391 HG12 ILE 54 1HG1 ILE 54 2.994 1.738 8.856 392 HG13 ILE 54 2HG1 ILE 54 3.444 0.773 10.257 393 HG21 ILE 54 1HG2 ILE 54 0.802 3.297 11.056 394 HG22 ILE 54 2HG2 ILE 54 1.873 4.677 10.818 395 HG23 ILE 54 3HG2 ILE 54 1.397 3.683 9.441 396 HD11 ILE 54 1HD1 ILE 54 0.834 1.205 10.775 397 HD12 ILE 54 2HD1 ILE 54 0.824 1.193 9.011 398 HD13 ILE 54 3HD1 ILE 54 1.457 -0.193 9.899 399 H SER 55 H SER 55 5.361 1.467 9.570 400 HA SER 55 HA SER 55 7.120 1.321 11.927 401 HB2 SER 55 1HB SER 55 5.643 -0.634 11.614 402 HB3 SER 55 2HB SER 55 6.331 -0.888 10.010 403 HG SER 55 HG SER 55 7.316 -2.205 11.617 404 H HIS 56 H HIS 56 8.988 2.297 11.457 405 HA HIS 56 HA HIS 56 10.618 1.241 9.324 406 HB2 HIS 56 1HB HIS 56 11.065 3.419 8.273 407 HB3 HIS 56 2HB HIS 56 9.368 2.970 8.122 408 HD1 HIS 56 1HD HIS 56 11.550 5.648 9.280 409 HD2 HIS 56 2HD HIS 56 7.649 4.409 9.994 410 HE1 HIS 56 1HE HIS 56 10.407 7.612 10.358 411 HE2 HIS 56 2HE HIS 56 8.073 6.810 10.858 412 HA PRO 57 HA PRO 57 13.775 2.081 12.263 413 HB2 PRO 57 1HB PRO 57 15.936 2.161 10.621 414 HB3 PRO 57 2HB PRO 57 15.100 0.660 11.036 415 HG2 PRO 57 1HG PRO 57 14.856 2.345 8.574 416 HG3 PRO 57 2HG PRO 57 14.948 0.580 8.717 417 HD2 PRO 57 1HD PRO 57 12.609 1.890 8.338 418 HD3 PRO 57 2HD PRO 57 12.719 0.382 9.268 419 H THR 58 H THR 58 14.772 3.804 13.185 420 HA THR 58 HA THR 58 14.186 6.403 12.356 421 HB THR 58 HB THR 58 14.981 5.504 14.680 422 HG1 THR 58 1HG THR 58 15.670 7.693 15.162 423 HG21 THR 58 1HG2 THR 58 17.602 6.438 13.503 424 HG22 THR 58 2HG2 THR 58 17.196 4.761 13.868 425 HG23 THR 58 3HG2 THR 58 17.316 5.943 15.171 426 H ASP 59 H ASP 59 16.803 4.296 11.504 427 HA ASP 59 HA ASP 59 18.649 6.238 10.606 428 HB2 ASP 59 1HB ASP 59 19.625 4.156 10.876 429 HB3 ASP 59 2HB ASP 59 18.266 3.308 10.144 430 H TYR 60 H TYR 60 15.867 4.722 9.127 431 HA TYR 60 HA TYR 60 16.324 5.255 6.447 432 HB2 TYR 60 1HB TYR 60 14.430 3.917 7.279 433 HB3 TYR 60 2HB TYR 60 13.681 5.377 7.916 434 HD1 TYR 60 1HD TYR 60 15.267 4.502 4.641 435 HD2 TYR 60 2HD TYR 60 11.828 5.958 6.679 436 HE1 TYR 60 1HE TYR 60 14.146 4.863 2.481 437 HE2 TYR 60 2HE TYR 60 10.697 6.322 4.526 438 HH TYR 60 HH TYR 60 11.431 4.975 1.813 439 H GLN 61 H GLN 61 15.801 6.965 5.073 440 HA GLN 61 HA GLN 61 15.147 9.523 6.363 441 HB2 GLN 61 1HB GLN 61 17.325 9.058 4.320 442 HB3 GLN 61 2HB GLN 61 16.789 10.640 4.870 443 HG2 GLN 61 1HG GLN 61 17.500 10.106 7.137 444 HG3 GLN 61 2HG GLN 61 18.018 8.508 6.602 445 HE21 GLN 61 1HE2 GLN 61 19.974 9.584 7.725 446 HE22 GLN 61 2HE2 GLN 61 21.092 10.363 6.663 447 H GLY 62 H GLY 62 15.103 7.501 3.506 448 HA2 GLY 62 1HA GLY 62 14.109 9.068 1.533 449 HA3 GLY 62 2HA GLY 62 13.534 7.430 1.810 450 H GLU 63 H GLU 63 11.905 9.386 0.710 451 HA GLU 63 HA GLU 63 9.911 9.692 2.847 452 HB2 GLU 63 1HB GLU 63 9.232 11.860 1.829 453 HB3 GLU 63 2HB GLU 63 10.845 11.887 2.528 454 HG2 GLU 63 1HG GLU 63 10.566 11.268 -0.364 455 HG3 GLU 63 2HG GLU 63 10.348 12.933 0.170 456 H ILE 64 H ILE 64 7.940 8.963 2.340 457 HA ILE 64 HA ILE 64 7.504 7.978 -0.376 458 HB ILE 64 HB ILE 64 5.665 7.525 1.959 459 HG12 ILE 64 1HG1 ILE 64 7.893 5.647 1.201 460 HG13 ILE 64 2HG1 ILE 64 8.128 6.907 2.407 461 HG21 ILE 64 1HG2 ILE 64 4.606 6.780 0.051 462 HG22 ILE 64 2HG2 ILE 64 6.112 6.279 -0.716 463 HG23 ILE 64 3HG2 ILE 64 5.429 5.318 0.595 464 HD11 ILE 64 1HD1 ILE 64 7.307 5.541 3.933 465 HD12 ILE 64 2HD1 ILE 64 5.756 5.565 3.094 466 HD13 ILE 64 3HD1 ILE 64 6.952 4.331 2.701 467 H LYS 65 H LYS 65 5.568 8.400 -1.527 468 HA LYS 65 HA LYS 65 4.461 11.046 -0.951 469 HB2 LYS 65 1HB LYS 65 4.285 9.323 -3.429 470 HB3 LYS 65 2HB LYS 65 3.590 10.930 -3.270 471 HG2 LYS 65 1HG LYS 65 5.990 11.677 -2.715 472 HG3 LYS 65 2HG LYS 65 6.468 10.130 -3.418 473 HD2 LYS 65 1HD LYS 65 5.560 10.696 -5.524 474 HD3 LYS 65 2HD LYS 65 4.676 12.072 -4.857 475 HE2 LYS 65 1HE LYS 65 7.680 11.900 -4.837 476 HE3 LYS 65 2HE LYS 65 6.777 12.601 -6.178 477 HZ1 LYS 65 1HZ LYS 65 7.620 14.151 -4.353 478 HZ2 LYS 65 2HZ LYS 65 6.358 13.537 -3.410 479 HZ3 LYS 65 3HZ LYS 65 6.017 14.336 -4.861 480 H GLN 66 H GLN 66 3.685 8.503 0.438 481 HA GLN 66 HA GLN 66 1.816 7.397 1.136 482 HB2 GLN 66 1HB GLN 66 0.681 10.116 0.481 483 HB3 GLN 66 2HB GLN 66 -0.233 8.863 1.310 484 HG2 GLN 66 1HG GLN 66 0.528 9.999 3.112 485 HG3 GLN 66 2HG GLN 66 1.879 8.886 2.901 486 HE21 GLN 66 1HE2 GLN 66 3.607 10.006 3.504 487 HE22 GLN 66 2HE2 GLN 66 4.063 11.554 2.890 488 H GLY 67 H GLY 67 2.506 7.184 -1.715 489 HA2 GLY 67 1HA GLY 67 1.534 6.649 -3.767 490 HA3 GLY 67 2HA GLY 67 0.720 5.489 -2.727 491 H HIS 68 H HIS 68 0.473 8.795 -3.987 492 HA HIS 68 HA HIS 68 -2.149 9.331 -3.231 493 HB2 HIS 68 1HB HIS 68 -0.845 10.243 -5.801 494 HB3 HIS 68 2HB HIS 68 -2.154 11.040 -4.934 495 HD1 HIS 68 1HD HIS 68 -1.257 11.507 -2.226 496 HD2 HIS 68 2HD HIS 68 1.448 11.584 -5.378 497 HE1 HIS 68 1HE HIS 68 0.708 12.837 -1.393 498 HE2 HIS 68 2HE HIS 68 2.295 12.942 -3.346 499 H LYS 69 H LYS 69 -1.014 7.000 -5.387 500 HA LYS 69 HA LYS 69 -3.655 6.782 -6.676 501 HB2 LYS 69 1HB LYS 69 -0.906 5.987 -7.614 502 HB3 LYS 69 2HB LYS 69 -2.360 5.323 -8.347 503 HG2 LYS 69 1HG LYS 69 -1.672 7.133 -9.699 504 HG3 LYS 69 2HG LYS 69 -3.090 7.681 -8.801 505 HD2 LYS 69 1HD LYS 69 -1.688 8.875 -7.237 506 HD3 LYS 69 2HD LYS 69 -0.232 8.239 -8.007 507 HE2 LYS 69 1HE LYS 69 -0.489 10.434 -8.830 508 HE3 LYS 69 2HE LYS 69 -1.026 9.369 -10.129 509 HZ1 LYS 69 1HZ LYS 69 -3.002 10.336 -10.104 510 HZ2 LYS 69 2HZ LYS 69 -2.441 11.441 -8.953 511 HZ3 LYS 69 3HZ LYS 69 -3.205 10.016 -8.454 512 H GLN 70 H GLN 70 -3.738 4.270 -7.530 513 HA GLN 70 HA GLN 70 -4.222 2.780 -5.156 514 HB2 GLN 70 1HB GLN 70 -5.607 2.495 -7.147 515 HB3 GLN 70 2HB GLN 70 -4.218 1.905 -8.049 516 HG2 GLN 70 1HG GLN 70 -4.067 0.005 -6.458 517 HG3 GLN 70 2HG GLN 70 -5.562 0.569 -5.714 518 HE21 GLN 70 1HE2 GLN 70 -5.224 -1.965 -6.861 519 HE22 GLN 70 2HE2 GLN 70 -6.270 -2.084 -8.232 520 H THR 71 H THR 71 -1.479 3.213 -7.126 521 HA THR 71 HA THR 71 -0.181 0.875 -5.884 522 HB THR 71 HB THR 71 1.480 1.275 -7.909 523 HG1 THR 71 1HG THR 71 -0.156 1.731 -9.743 524 HG21 THR 71 1HG2 THR 71 -0.865 -0.066 -8.977 525 HG22 THR 71 2HG2 THR 71 -0.519 -0.555 -7.318 526 HG23 THR 71 3HG2 THR 71 0.718 -0.723 -8.563 527 H LEU 72 H LEU 72 1.830 1.142 -4.966 528 HA LEU 72 HA LEU 72 2.825 3.911 -4.809 529 HB2 LEU 72 1HB LEU 72 1.849 3.313 -2.702 530 HB3 LEU 72 2HB LEU 72 2.735 1.790 -2.673 531 HG LEU 72 HG LEU 72 4.849 3.229 -2.585 532 HD11 LEU 72 1HD1 LEU 72 4.665 5.463 -1.831 533 HD12 LEU 72 2HD1 LEU 72 2.923 5.320 -1.604 534 HD13 LEU 72 3HD1 LEU 72 3.602 5.320 -3.231 535 HD21 LEU 72 1HD2 LEU 72 2.857 3.017 -0.346 536 HD22 LEU 72 2HD2 LEU 72 4.481 3.660 -0.104 537 HD23 LEU 72 3HD2 LEU 72 4.263 2.002 -0.668 538 H ASN 73 H ASN 73 4.872 4.222 -5.403 539 HA ASN 73 HA ASN 73 6.592 1.852 -5.726 540 HB2 ASN 73 1HB ASN 73 6.147 4.259 -7.409 541 HB3 ASN 73 2HB ASN 73 7.795 3.645 -7.323 542 HD21 ASN 73 1HD2 ASN 73 4.554 2.206 -7.512 543 HD22 ASN 73 2HD2 ASN 73 4.916 1.152 -8.832 544 H LEU 74 H LEU 74 8.344 1.742 -4.491 545 HA LEU 74 HA LEU 74 9.140 4.100 -2.959 546 HB2 LEU 74 1HB LEU 74 9.425 1.168 -2.632 547 HB3 LEU 74 2HB LEU 74 10.697 2.182 -1.955 548 HG LEU 74 HG LEU 74 9.076 1.631 -0.251 549 HD11 LEU 74 1HD1 LEU 74 9.553 3.636 0.563 550 HD12 LEU 74 2HD1 LEU 74 8.151 4.280 -0.289 551 HD13 LEU 74 3HD1 LEU 74 9.736 4.298 -1.061 552 HD21 LEU 74 1HD2 LEU 74 7.149 1.207 -1.672 553 HD22 LEU 74 2HD2 LEU 74 7.047 2.922 -2.073 554 HD23 LEU 74 3HD2 LEU 74 6.749 2.384 -0.420 555 H SER 75 H SER 75 11.307 4.799 -2.836 556 HA SER 75 HA SER 75 13.213 3.704 -4.748 557 HB2 SER 75 1HB SER 75 13.508 5.645 -6.015 558 HB3 SER 75 2HB SER 75 11.759 5.593 -5.801 559 HG SER 75 HG SER 75 12.087 7.031 -3.987 560 H GLN 76 H GLN 76 15.390 4.487 -4.422 561 HA GLN 76 HA GLN 76 17.180 4.906 -3.081 562 HB2 GLN 76 1HB GLN 76 15.264 7.072 -2.262 563 HB3 GLN 76 2HB GLN 76 16.847 6.931 -1.509 564 HG2 GLN 76 1HG GLN 76 17.814 7.014 -3.845 565 HG3 GLN 76 2HG GLN 76 16.205 7.491 -4.386 566 HE21 GLN 76 1HE2 GLN 76 17.462 9.393 -5.108 567 HE22 GLN 76 2HE2 GLN 76 17.674 10.694 -3.992 568 H LEU 77 H LEU 77 15.098 2.998 -2.180 569 HA LEU 77 HA LEU 77 14.759 3.180 0.617 570 HB2 LEU 77 1HB LEU 77 14.588 0.943 -1.366 571 HB3 LEU 77 2HB LEU 77 14.442 0.624 0.361 572 HG LEU 77 HG LEU 77 12.643 2.457 -1.224 573 HD11 LEU 77 1HD1 LEU 77 10.961 0.627 -0.721 574 HD12 LEU 77 2HD1 LEU 77 12.344 -0.398 -0.338 575 HD13 LEU 77 3HD1 LEU 77 12.167 0.273 -1.958 576 HD21 LEU 77 1HD2 LEU 77 12.834 1.703 1.655 577 HD22 LEU 77 2HD2 LEU 77 11.249 2.019 0.948 578 HD23 LEU 77 3HD2 LEU 77 12.493 3.269 0.920 579 H SER 78 H SER 78 15.687 1.649 2.207 580 HA SER 78 HA SER 78 18.437 0.835 1.593 581 HB2 SER 78 1HB SER 78 19.151 1.752 3.827 582 HB3 SER 78 2HB SER 78 18.724 2.981 2.637 583 HG SER 78 HG SER 78 17.236 2.093 4.869 584 H VAL 79 H VAL 79 19.312 -0.738 3.077 585 HA VAL 79 HA VAL 79 17.676 -2.875 3.620 586 HB VAL 79 HB VAL 79 19.951 -3.363 3.659 587 HG11 VAL 79 1HG1 VAL 79 21.483 -1.853 4.203 588 HG12 VAL 79 2HG1 VAL 79 20.201 -0.791 4.788 589 HG13 VAL 79 3HG1 VAL 79 20.987 -1.919 5.894 590 HG21 VAL 79 1HG2 VAL 79 20.224 -4.592 5.584 591 HG22 VAL 79 2HG2 VAL 79 19.570 -3.322 6.618 592 HG23 VAL 79 3HG2 VAL 79 18.487 -4.292 5.621 593 H GLY 80 H GLY 80 15.883 -2.838 4.823 594 HA2 GLY 80 1HA GLY 80 15.904 -2.706 7.594 595 HA3 GLY 80 2HA GLY 80 15.485 -1.095 7.031 596 H LEU 81 H LEU 81 13.599 -2.074 8.486 597 HA LEU 81 HA LEU 81 11.696 -3.511 6.785 598 HB2 LEU 81 1HB LEU 81 12.070 -4.388 9.031 599 HB3 LEU 81 2HB LEU 81 11.592 -2.839 9.722 600 HG LEU 81 HG LEU 81 9.316 -3.189 8.776 601 HD11 LEU 81 1HD1 LEU 81 9.357 -4.655 7.048 602 HD12 LEU 81 2HD1 LEU 81 8.983 -5.793 8.342 603 HD13 LEU 81 3HD1 LEU 81 10.640 -5.634 7.759 604 HD21 LEU 81 1HD2 LEU 81 10.301 -4.019 11.106 605 HD22 LEU 81 2HD2 LEU 81 9.842 -5.586 10.438 606 HD23 LEU 81 3HD2 LEU 81 8.631 -4.316 10.625 607 H TYR 82 H TYR 82 9.888 -2.596 5.997 608 HA TYR 82 HA TYR 82 9.053 0.023 7.003 609 HB2 TYR 82 1HB TYR 82 9.388 -0.521 4.050 610 HB3 TYR 82 2HB TYR 82 8.953 1.004 4.812 611 HD1 TYR 82 2HD TYR 82 10.677 2.193 6.218 612 HD2 TYR 82 1HD TYR 82 11.648 -1.122 3.733 613 HE1 TYR 82 2HE TYR 82 13.050 2.833 6.301 614 HE2 TYR 82 1HE TYR 82 14.024 -0.491 3.810 615 HH TYR 82 HH TYR 82 15.548 0.826 4.813 616 H VAL 83 H VAL 83 6.994 -0.182 7.546 617 HA VAL 83 HA VAL 83 5.288 -2.015 6.000 618 HB VAL 83 HB VAL 83 4.769 -0.904 8.760 619 HG11 VAL 83 1HG1 VAL 83 2.733 -1.512 7.640 620 HG12 VAL 83 2HG1 VAL 83 3.417 -3.062 7.147 621 HG13 VAL 83 3HG1 VAL 83 3.099 -2.739 8.852 622 HG21 VAL 83 1HG2 VAL 83 6.766 -2.372 8.670 623 HG22 VAL 83 2HG2 VAL 83 5.453 -3.039 9.640 624 HG23 VAL 83 3HG2 VAL 83 5.750 -3.657 8.015 625 H PHE 84 H PHE 84 4.238 -0.932 4.456 626 HA PHE 84 HA PHE 84 3.291 1.784 4.974 627 HB2 PHE 84 1HB PHE 84 2.963 0.346 2.359 628 HB3 PHE 84 2HB PHE 84 3.130 2.073 2.661 629 HD1 PHE 84 2HD PHE 84 5.432 2.778 3.734 630 HD2 PHE 84 1HD PHE 84 4.767 -0.803 1.531 631 HE1 PHE 84 2HE PHE 84 7.841 2.628 3.256 632 HE2 PHE 84 1HE PHE 84 7.175 -0.960 1.051 633 HZ PHE 84 HZ PHE 84 8.715 0.758 1.912 634 H LYS 85 H LYS 85 1.260 2.190 5.521 635 HA LYS 85 HA LYS 85 -0.737 0.060 5.186 636 HB2 LYS 85 1HB LYS 85 -0.622 0.607 7.463 637 HB3 LYS 85 2HB LYS 85 -0.459 2.328 7.136 638 HG2 LYS 85 1HG LYS 85 -2.802 2.351 6.336 639 HG3 LYS 85 2HG LYS 85 -2.943 0.657 6.813 640 HD2 LYS 85 1HD LYS 85 -3.831 1.856 8.622 641 HD3 LYS 85 2HD LYS 85 -2.195 1.433 9.132 642 HE2 LYS 85 1HE LYS 85 -2.651 4.032 7.745 643 HE3 LYS 85 2HE LYS 85 -3.128 3.875 9.434 644 HZ1 LYS 85 1HZ LYS 85 -0.596 4.388 8.445 645 HZ2 LYS 85 2HZ LYS 85 -0.537 2.811 9.053 646 HZ3 LYS 85 3HZ LYS 85 -1.027 4.085 10.053 647 H VAL 86 H VAL 86 -2.206 0.291 3.645 648 HA VAL 86 HA VAL 86 -2.657 2.952 2.497 649 HB VAL 86 HB VAL 86 -2.049 1.354 0.835 650 HG11 VAL 86 1HG1 VAL 86 -3.660 -0.435 2.446 651 HG12 VAL 86 2HG1 VAL 86 -4.044 -0.567 0.729 652 HG13 VAL 86 3HG1 VAL 86 -2.386 -0.802 1.284 653 HG21 VAL 86 1HG2 VAL 86 -3.691 2.833 0.011 654 HG22 VAL 86 2HG2 VAL 86 -4.184 1.229 -0.531 655 HG23 VAL 86 3HG2 VAL 86 -4.990 1.982 0.846 656 H THR 87 H THR 87 -4.256 3.990 3.519 657 HA THR 87 HA THR 87 -6.604 2.515 4.435 658 HB THR 87 HB THR 87 -6.255 5.473 4.790 659 HG1 THR 87 1HG THR 87 -5.233 3.687 6.709 660 HG21 THR 87 1HG2 THR 87 -7.572 3.264 6.365 661 HG22 THR 87 2HG2 THR 87 -8.354 4.603 5.525 662 HG23 THR 87 3HG2 THR 87 -7.385 4.911 6.965 663 H VAL 88 H VAL 88 -8.195 2.238 3.019 664 HA VAL 88 HA VAL 88 -8.863 4.469 1.209 665 HB VAL 88 HB VAL 88 -9.088 1.507 0.656 666 HG11 VAL 88 1HG1 VAL 88 -9.595 2.768 -1.705 667 HG12 VAL 88 2HG1 VAL 88 -10.828 2.125 -0.619 668 HG13 VAL 88 3HG1 VAL 88 -10.397 3.834 -0.551 669 HG21 VAL 88 1HG2 VAL 88 -7.642 2.982 -1.312 670 HG22 VAL 88 2HG2 VAL 88 -6.968 3.336 0.279 671 HG23 VAL 88 3HG2 VAL 88 -7.080 1.667 -0.280 672 H SER 89 H SER 89 -10.619 5.400 2.057 673 HA SER 89 HA SER 89 -12.913 3.671 2.687 674 HB2 SER 89 1HB SER 89 -13.454 4.921 4.640 675 HB3 SER 89 2HB SER 89 -11.731 4.565 4.758 676 HG SER 89 HG SER 89 -12.221 6.762 5.235 677 H SER 90 H SER 90 -14.947 4.517 2.213 678 HA SER 90 HA SER 90 -14.913 6.943 0.539 679 HB2 SER 90 1HB SER 90 -16.258 4.304 0.201 680 HB3 SER 90 2HB SER 90 -17.118 5.738 -0.359 681 HG SER 90 HG SER 90 -14.436 5.498 -1.069 682 H GLU 91 H GLU 91 -17.467 7.571 0.267 683 HA GLU 91 HA GLU 91 -18.163 8.888 2.600 684 HB2 GLU 91 1HB GLU 91 -20.388 9.213 1.561 685 HB3 GLU 91 2HB GLU 91 -19.063 9.560 0.459 686 HG2 GLU 91 1HG GLU 91 -19.359 7.255 -0.474 687 HG3 GLU 91 2HG GLU 91 -20.822 7.124 0.500 688 H ASN 92 H ASN 92 -19.527 5.864 1.310 689 HA ASN 92 HA ASN 92 -20.523 5.273 4.020 690 HB2 ASN 92 1HB ASN 92 -22.226 3.807 2.736 691 HB3 ASN 92 2HB ASN 92 -22.479 5.550 2.762 692 HD21 ASN 92 1HD2 ASN 92 -23.116 6.303 0.890 693 HD22 ASN 92 2HD2 ASN 92 -22.623 5.734 -0.665 694 H ALA 93 H ALA 93 -17.926 4.613 3.082 695 HA ALA 93 HA ALA 93 -18.008 1.750 3.505 696 HB1 ALA 93 1HB ALA 93 -18.097 2.397 0.939 697 HB2 ALA 93 2HB ALA 93 -16.355 2.552 1.173 698 HB3 ALA 93 3HB ALA 93 -17.160 1.021 1.520 699 H PHE 94 H PHE 94 -15.821 0.842 3.840 700 HA PHE 94 HA PHE 94 -13.631 2.659 4.252 701 HB2 PHE 94 1HB PHE 94 -14.568 3.218 6.309 702 HB3 PHE 94 2HB PHE 94 -15.229 1.606 6.559 703 HD1 PHE 94 1HD PHE 94 -11.754 2.425 5.600 704 HD2 PHE 94 2HD PHE 94 -14.374 1.116 8.689 705 HE1 PHE 94 1HE PHE 94 -9.813 1.849 6.998 706 HE2 PHE 94 2HE PHE 94 -12.437 0.540 10.092 707 HZ PHE 94 HZ PHE 94 -10.153 0.907 9.247 708 H GLY 95 H GLY 95 -11.787 1.602 3.889 709 HA2 GLY 95 1HA GLY 95 -11.419 -1.134 4.738 710 HA3 GLY 95 2HA GLY 95 -11.535 -0.942 2.995 711 H GLU 96 H GLU 96 -9.354 -1.454 5.240 712 HA GLU 96 HA GLU 96 -7.264 -0.075 3.743 713 HB2 GLU 96 1HB GLU 96 -6.168 0.745 5.766 714 HB3 GLU 96 2HB GLU 96 -7.779 1.432 5.606 715 HG2 GLU 96 1HG GLU 96 -8.583 0.337 7.424 716 HG3 GLU 96 2HG GLU 96 -7.502 -1.039 7.215 717 H GLY 97 H GLY 97 -5.129 -0.964 4.102 718 HA2 GLY 97 1HA GLY 97 -5.116 -3.599 5.416 719 HA3 GLY 97 2HA GLY 97 -4.582 -3.458 3.747 720 H PHE 98 H PHE 98 -2.652 -4.474 4.887 721 HA PHE 98 HA PHE 98 -0.742 -2.341 5.420 722 HB2 PHE 98 1HB PHE 98 -1.231 -4.632 7.333 723 HB3 PHE 98 2HB PHE 98 0.165 -3.562 7.405 724 HD1 PHE 98 2HD PHE 98 -3.559 -3.428 7.358 725 HD2 PHE 98 1HD PHE 98 0.073 -1.707 8.761 726 HE1 PHE 98 2HE PHE 98 -4.844 -1.853 8.744 727 HE2 PHE 98 1HE PHE 98 -1.207 -0.129 10.149 728 HZ PHE 98 HZ PHE 98 -3.668 -0.200 10.141 729 H VAL 99 H VAL 99 1.178 -2.726 4.494 730 HA VAL 99 HA VAL 99 1.857 -5.489 3.752 731 HB VAL 99 HB VAL 99 0.891 -4.151 1.810 732 HG11 VAL 99 1HG1 VAL 99 3.575 -2.853 1.621 733 HG12 VAL 99 2HG1 VAL 99 2.049 -2.397 0.860 734 HG13 VAL 99 3HG1 VAL 99 2.302 -2.099 2.580 735 HG21 VAL 99 1HG2 VAL 99 1.911 -5.879 0.832 736 HG22 VAL 99 2HG2 VAL 99 3.246 -4.772 0.513 737 HG23 VAL 99 3HG2 VAL 99 3.280 -5.805 1.942 738 H ASN 100 H ASN 100 3.854 -6.047 4.323 739 HA ASN 100 HA ASN 100 5.695 -3.935 5.186 740 HB2 ASN 100 1HB ASN 100 5.945 -6.904 5.687 741 HB3 ASN 100 2HB ASN 100 6.809 -5.603 6.501 742 HD21 ASN 100 1HD2 ASN 100 5.909 -6.890 8.352 743 HD22 ASN 100 2HD2 ASN 100 4.359 -6.418 8.951 744 H VAL 101 H VAL 101 7.721 -3.696 4.342 745 HA VAL 101 HA VAL 101 8.533 -5.531 2.193 746 HB VAL 101 HB VAL 101 8.509 -2.516 2.048 747 HG11 VAL 101 1HG1 VAL 101 9.994 -4.550 0.430 748 HG12 VAL 101 2HG1 VAL 101 9.473 -3.029 -0.299 749 HG13 VAL 101 3HG1 VAL 101 10.562 -3.016 1.089 750 HG21 VAL 101 1HG2 VAL 101 7.437 -3.645 -0.264 751 HG22 VAL 101 2HG2 VAL 101 6.781 -4.607 1.060 752 HG23 VAL 101 3HG2 VAL 101 6.552 -2.859 1.043 753 H THR 102 H THR 102 10.351 -6.433 2.901 754 HA THR 102 HA THR 102 12.201 -4.896 4.557 755 HB THR 102 HB THR 102 12.200 -7.829 3.821 756 HG1 THR 102 1HG THR 102 11.839 -6.850 6.427 757 HG21 THR 102 1HG2 THR 102 13.847 -7.856 5.826 758 HG22 THR 102 2HG2 THR 102 14.080 -6.150 5.442 759 HG23 THR 102 3HG2 THR 102 14.444 -7.384 4.236 760 H VAL 103 H VAL 103 14.323 -4.481 4.009 761 HA VAL 103 HA VAL 103 15.030 -4.966 1.187 762 HB VAL 103 HB VAL 103 15.833 -2.638 2.938 763 HG11 VAL 103 1HG1 VAL 103 16.405 -2.943 0.006 764 HG12 VAL 103 2HG1 VAL 103 17.104 -1.800 1.154 765 HG13 VAL 103 3HG1 VAL 103 17.530 -3.509 1.240 766 HG21 VAL 103 1HG2 VAL 103 13.541 -2.439 2.225 767 HG22 VAL 103 2HG2 VAL 103 14.530 -1.310 1.299 768 HG23 VAL 103 3HG2 VAL 103 13.986 -2.816 0.561 769 H LYS 104 H LYS 104 16.724 -6.236 0.867 770 HA LYS 104 HA LYS 104 18.446 -6.936 3.103 771 HB2 LYS 104 1HB LYS 104 18.423 -8.006 0.275 772 HB3 LYS 104 2HB LYS 104 19.312 -8.684 1.633 773 HG2 LYS 104 1HG LYS 104 16.357 -8.392 1.849 774 HG3 LYS 104 2HG LYS 104 17.026 -9.703 0.874 775 HD2 LYS 104 1HD LYS 104 18.208 -10.592 2.748 776 HD3 LYS 104 2HD LYS 104 17.830 -9.175 3.730 777 HE2 LYS 104 1HE LYS 104 15.597 -9.789 3.974 778 HE3 LYS 104 2HE LYS 104 15.645 -10.874 2.585 779 HZ1 LYS 104 1HZ LYS 104 16.692 -12.512 3.787 780 HZ2 LYS 104 2HZ LYS 104 15.671 -11.848 4.961 781 HZ3 LYS 104 3HZ LYS 104 17.313 -11.442 4.941 782 HA PRO 105 HA PRO 105 21.759 -4.273 1.956 783 HB2 PRO 105 1HB PRO 105 23.814 -5.619 3.111 784 HB3 PRO 105 2HB PRO 105 22.624 -4.699 4.041 785 HG2 PRO 105 1HG PRO 105 22.760 -7.645 3.527 786 HG3 PRO 105 2HG PRO 105 22.387 -6.788 5.034 787 HD2 PRO 105 1HD PRO 105 20.467 -7.862 3.456 788 HD3 PRO 105 2HD PRO 105 20.202 -6.392 4.417 789 H ALA 106 H ALA 106 23.236 -4.057 0.339 790 HA ALA 106 HA ALA 106 23.311 -5.849 -1.777 791 HB1 ALA 106 1HB ALA 106 24.119 -3.318 -1.469 792 HB2 ALA 106 2HB ALA 106 25.686 -4.127 -1.421 793 HB3 ALA 106 3HB ALA 106 24.629 -4.333 -2.818 794 H ARG 107 H ARG 107 23.966 -7.903 -1.574 795 HA ARG 107 HA ARG 107 26.550 -8.408 -0.251 796 HB2 ARG 107 1HB ARG 107 25.756 -10.685 0.177 797 HB3 ARG 107 2HB ARG 107 24.674 -9.492 0.884 798 HG2 ARG 107 1HG ARG 107 22.998 -9.904 -0.663 799 HG3 ARG 107 2HG ARG 107 24.113 -10.629 -1.823 800 HD2 ARG 107 1HD ARG 107 23.788 -11.938 0.827 801 HD3 ARG 107 2HD ARG 107 22.482 -12.099 -0.346 802 HE ARG 107 HE ARG 107 25.026 -13.390 -0.424 803 HH11 ARG 107 2HH1 ARG 107 22.462 -12.112 -2.402 804 HH12 ARG 107 1HH1 ARG 107 22.802 -13.153 -3.744 805 HH21 ARG 107 2HH2 ARG 107 25.484 -14.765 -2.185 806 HH22 ARG 107 1HH2 ARG 107 24.521 -14.662 -3.619 807 H SER 108 H SER 108 24.797 -8.557 -3.178 808 HA SER 108 HA SER 108 26.915 -10.200 -4.403 809 HB2 SER 108 1HB SER 108 24.052 -9.837 -5.318 810 HB3 SER 108 2HB SER 108 25.275 -10.803 -6.143 811 HG SER 108 HG SER 108 25.385 -11.807 -3.854 812 H GLY 109 H GLY 109 28.264 -9.120 -5.669 813 HA2 GLY 109 1HA GLY 109 28.284 -7.771 -7.796 814 HA3 GLY 109 2HA GLY 109 27.307 -6.613 -6.906 815 HA PRO 110 HA PRO 110 32.059 -6.443 -5.837 816 HB2 PRO 110 1HB PRO 110 33.351 -5.816 -8.141 817 HB3 PRO 110 2HB PRO 110 33.150 -7.478 -7.574 818 HG2 PRO 110 1HG PRO 110 31.577 -5.975 -9.630 819 HG3 PRO 110 2HG PRO 110 32.170 -7.646 -9.676 820 HD2 PRO 110 1HD PRO 110 29.605 -7.026 -9.067 821 HD3 PRO 110 2HD PRO 110 30.440 -8.428 -8.368 822 H SER 111 H SER 111 31.684 -4.546 -4.792 823 HA SER 111 HA SER 111 31.171 -2.317 -4.480 824 HB2 SER 111 1HB SER 111 33.559 -2.499 -6.275 825 HB3 SER 111 2HB SER 111 32.901 -0.908 -5.892 826 HG SER 111 HG SER 111 34.182 -2.753 -4.250 827 H SER 112 H SER 112 29.346 -3.410 -6.276 828 HA SER 112 HA SER 112 29.095 -1.409 -8.406 829 HB2 SER 112 1HB SER 112 27.453 -3.917 -7.998 830 HB3 SER 112 2HB SER 112 27.489 -2.894 -9.433 831 HG SER 112 HG SER 112 29.782 -4.217 -8.427 832 H GLY 113 H GLY 113 28.424 0.328 -7.082 833 HA2 GLY 113 1HA GLY 113 26.169 1.409 -6.903 834 HA3 GLY 113 2HA GLY 113 25.714 0.006 -5.948 Start of MODEL 8 1 H1 GLY 1 H GLY 1 -20.404 20.752 14.760 2 HA2 GLY 1 1HA GLY 1 -23.155 20.989 14.864 3 HA3 GLY 1 2HA GLY 1 -22.679 21.707 13.332 4 H SER 2 H SER 2 -23.313 20.261 11.849 5 HA SER 2 HA SER 2 -22.336 17.497 12.155 6 HB2 SER 2 1HB SER 2 -24.967 18.510 11.096 7 HB3 SER 2 2HB SER 2 -24.349 16.921 10.646 8 HG SER 2 HG SER 2 -25.622 17.624 12.870 9 H SER 3 H SER 3 -21.552 16.461 10.314 10 HA SER 3 HA SER 3 -20.938 18.265 8.067 11 HB2 SER 3 1HB SER 3 -19.370 16.046 9.353 12 HB3 SER 3 2HB SER 3 -19.038 16.529 7.690 13 HG SER 3 HG SER 3 -17.992 18.169 8.456 14 H GLY 4 H GLY 4 -21.774 14.927 8.922 15 HA2 GLY 4 1HA GLY 4 -23.226 14.676 6.413 16 HA3 GLY 4 2HA GLY 4 -21.871 13.576 6.622 17 H SER 5 H SER 5 -24.752 13.022 6.382 18 HA SER 5 HA SER 5 -25.123 11.618 8.947 19 HB2 SER 5 1HB SER 5 -27.574 11.796 8.551 20 HB3 SER 5 2HB SER 5 -26.798 13.367 8.745 21 HG SER 5 HG SER 5 -28.198 12.419 6.657 22 H SER 6 H SER 6 -23.670 10.505 6.851 23 HA SER 6 HA SER 6 -25.462 8.689 5.445 24 HB2 SER 6 1HB SER 6 -23.488 7.973 4.220 25 HB3 SER 6 2HB SER 6 -23.544 9.735 4.251 26 HG SER 6 HG SER 6 -22.045 9.644 6.004 27 H GLY 7 H GLY 7 -25.669 6.543 5.855 28 HA2 GLY 7 1HA GLY 7 -25.581 4.575 7.032 29 HA3 GLY 7 2HA GLY 7 -23.881 4.939 7.290 30 HA PRO 8 HA PRO 8 -26.477 6.703 11.014 31 HB2 PRO 8 1HB PRO 8 -28.851 5.444 11.400 32 HB3 PRO 8 2HB PRO 8 -28.688 6.910 10.427 33 HG2 PRO 8 1HG PRO 8 -28.856 4.056 9.539 34 HG3 PRO 8 2HG PRO 8 -29.652 5.488 8.859 35 HD2 PRO 8 1HD PRO 8 -27.430 4.398 7.761 36 HD3 PRO 8 2HD PRO 8 -27.769 6.140 7.700 37 H ARG 9 H ARG 9 -25.603 3.666 10.031 38 HA ARG 9 HA ARG 9 -25.535 2.691 12.808 39 HB2 ARG 9 1HB ARG 9 -27.211 1.542 11.187 40 HB3 ARG 9 2HB ARG 9 -25.776 0.806 10.485 41 HG2 ARG 9 1HG ARG 9 -25.246 -0.306 12.506 42 HG3 ARG 9 2HG ARG 9 -26.440 0.627 13.409 43 HD2 ARG 9 1HD ARG 9 -28.211 -0.409 11.986 44 HD3 ARG 9 2HD ARG 9 -26.968 -1.442 11.283 45 HE ARG 9 HE ARG 9 -26.670 -1.924 13.901 46 HH11 ARG 9 2HH1 ARG 9 -29.491 -1.842 11.862 47 HH12 ARG 9 1HH1 ARG 9 -30.358 -3.020 12.792 48 HH21 ARG 9 2HH2 ARG 9 -27.801 -3.476 15.133 49 HH22 ARG 9 1HH2 ARG 9 -29.395 -3.948 14.652 50 H THR 10 H THR 10 -24.112 2.413 9.568 51 HA THR 10 HA THR 10 -21.464 2.673 10.490 52 HB THR 10 HB THR 10 -21.971 0.348 11.328 53 HG1 THR 10 1HG THR 10 -19.817 1.196 10.669 54 HG21 THR 10 1HG2 THR 10 -22.884 0.033 8.650 55 HG22 THR 10 2HG2 THR 10 -22.912 -1.141 9.966 56 HG23 THR 10 3HG2 THR 10 -21.513 -1.047 8.897 57 H VAL 11 H VAL 11 -19.945 1.554 8.630 58 HA VAL 11 HA VAL 11 -21.083 2.521 6.089 59 HB VAL 11 HB VAL 11 -18.791 3.012 5.373 60 HG11 VAL 11 1HG1 VAL 11 -18.320 4.803 7.184 61 HG12 VAL 11 2HG1 VAL 11 -19.814 4.898 6.249 62 HG13 VAL 11 3HG1 VAL 11 -19.838 4.247 7.889 63 HG21 VAL 11 1HG2 VAL 11 -17.106 3.054 7.398 64 HG22 VAL 11 2HG2 VAL 11 -18.137 1.752 7.991 65 HG23 VAL 11 3HG2 VAL 11 -17.331 1.597 6.430 66 H LYS 12 H LYS 12 -19.992 1.530 4.129 67 HA LYS 12 HA LYS 12 -20.357 -1.286 4.209 68 HB2 LYS 12 1HB LYS 12 -19.566 0.709 2.137 69 HB3 LYS 12 2HB LYS 12 -19.232 -0.989 1.820 70 HG2 LYS 12 1HG LYS 12 -21.611 -1.501 2.180 71 HG3 LYS 12 2HG LYS 12 -21.925 0.219 2.421 72 HD2 LYS 12 1HD LYS 12 -22.444 -0.004 0.194 73 HD3 LYS 12 2HD LYS 12 -20.738 0.437 0.088 74 HE2 LYS 12 1HE LYS 12 -20.951 -1.380 -1.365 75 HE3 LYS 12 2HE LYS 12 -20.282 -2.083 0.107 76 HZ1 LYS 12 1HZ LYS 12 -23.190 -2.053 -0.442 77 HZ2 LYS 12 2HZ LYS 12 -22.347 -2.995 0.681 78 HZ3 LYS 12 3HZ LYS 12 -22.189 -3.309 -0.973 79 H GLU 13 H GLU 13 -18.957 -2.765 4.872 80 HA GLU 13 HA GLU 13 -16.242 -2.137 5.463 81 HB2 GLU 13 1HB GLU 13 -16.042 -4.490 6.097 82 HB3 GLU 13 2HB GLU 13 -17.502 -3.781 6.771 83 HG2 GLU 13 1HG GLU 13 -18.773 -4.783 4.873 84 HG3 GLU 13 2HG GLU 13 -17.296 -5.621 4.403 85 H LEU 14 H LEU 14 -14.540 -2.180 4.161 86 HA LEU 14 HA LEU 14 -14.763 -3.637 1.612 87 HB2 LEU 14 1HB LEU 14 -12.985 -1.295 2.271 88 HB3 LEU 14 2HB LEU 14 -13.164 -2.066 0.696 89 HG LEU 14 HG LEU 14 -15.365 -0.584 2.131 90 HD11 LEU 14 1HD1 LEU 14 -13.104 0.424 0.728 91 HD12 LEU 14 2HD1 LEU 14 -14.461 1.309 1.423 92 HD13 LEU 14 3HD1 LEU 14 -14.549 0.723 -0.238 93 HD21 LEU 14 1HD2 LEU 14 -15.479 -0.963 -0.768 94 HD22 LEU 14 2HD2 LEU 14 -16.734 -1.165 0.456 95 HD23 LEU 14 3HD2 LEU 14 -15.574 -2.461 0.159 96 H THR 15 H THR 15 -13.204 -5.066 1.020 97 HA THR 15 HA THR 15 -11.324 -5.868 3.096 98 HB THR 15 HB THR 15 -11.943 -7.213 0.458 99 HG1 THR 15 1HG THR 15 -12.774 -8.383 2.817 100 HG21 THR 15 1HG2 THR 15 -10.761 -8.578 2.839 101 HG22 THR 15 2HG2 THR 15 -9.716 -7.641 1.771 102 HG23 THR 15 3HG2 THR 15 -10.643 -8.998 1.131 103 H VAL 16 H VAL 16 -9.681 -4.360 3.006 104 HA VAL 16 HA VAL 16 -8.355 -3.831 0.471 105 HB VAL 16 HB VAL 16 -7.744 -2.791 3.241 106 HG11 VAL 16 1HG1 VAL 16 -6.236 -2.710 0.803 107 HG12 VAL 16 2HG1 VAL 16 -6.722 -1.079 1.268 108 HG13 VAL 16 3HG1 VAL 16 -5.815 -2.086 2.397 109 HG21 VAL 16 1HG2 VAL 16 -9.912 -2.042 2.410 110 HG22 VAL 16 2HG2 VAL 16 -8.759 -0.709 2.449 111 HG23 VAL 16 3HG2 VAL 16 -9.157 -1.485 0.916 112 H SER 17 H SER 17 -6.706 -4.997 -0.240 113 HA SER 17 HA SER 17 -4.859 -6.210 1.682 114 HB2 SER 17 1HB SER 17 -6.576 -7.918 1.010 115 HB3 SER 17 2HB SER 17 -6.007 -7.756 -0.652 116 HG SER 17 HG SER 17 -5.073 -9.436 0.955 117 H ALA 18 H ALA 18 -2.788 -5.984 1.110 118 HA ALA 18 HA ALA 18 -2.161 -4.613 -1.352 119 HB1 ALA 18 1HB ALA 18 -0.554 -3.772 -0.077 120 HB2 ALA 18 2HB ALA 18 -0.954 -4.903 1.217 121 HB3 ALA 18 3HB ALA 18 0.213 -5.360 -0.024 122 H GLY 19 H GLY 19 -1.568 -7.797 0.071 123 HA2 GLY 19 1HA GLY 19 -1.678 -9.478 -1.924 124 HA3 GLY 19 2HA GLY 19 -0.202 -8.642 -2.385 125 H ASP 20 H ASP 20 1.564 -8.637 -0.763 126 HA ASP 20 HA ASP 20 1.572 -10.456 1.404 127 HB2 ASP 20 1HB ASP 20 1.528 -12.011 -0.621 128 HB3 ASP 20 2HB ASP 20 3.155 -11.433 -0.970 129 H ASN 21 H ASN 21 3.992 -10.982 2.002 130 HA ASN 21 HA ASN 21 5.276 -8.486 2.365 131 HB2 ASN 21 1HB ASN 21 6.825 -9.630 3.687 132 HB3 ASN 21 2HB ASN 21 5.381 -10.630 3.826 133 HD21 ASN 21 1HD2 ASN 21 5.314 -12.625 2.800 134 HD22 ASN 21 2HD2 ASN 21 6.740 -13.407 2.218 135 H LEU 22 H LEU 22 6.915 -7.518 1.301 136 HA LEU 22 HA LEU 22 7.990 -8.914 -1.060 137 HB2 LEU 22 1HB LEU 22 7.731 -5.940 -0.657 138 HB3 LEU 22 2HB LEU 22 8.235 -6.771 -2.128 139 HG LEU 22 HG LEU 22 6.060 -6.156 -2.610 140 HD11 LEU 22 1HD1 LEU 22 6.374 -8.538 -3.009 141 HD12 LEU 22 2HD1 LEU 22 4.706 -8.189 -2.556 142 HD13 LEU 22 3HD1 LEU 22 5.810 -8.897 -1.377 143 HD21 LEU 22 1HD2 LEU 22 4.182 -6.446 -0.985 144 HD22 LEU 22 2HD2 LEU 22 5.392 -5.257 -0.503 145 HD23 LEU 22 3HD2 LEU 22 5.382 -6.856 0.241 146 H ILE 23 H ILE 23 10.161 -8.989 -1.372 147 HA ILE 23 HA ILE 23 11.878 -7.523 0.510 148 HB ILE 23 HB ILE 23 12.250 -10.428 -0.226 149 HG12 ILE 23 1HG1 ILE 23 11.489 -9.205 2.434 150 HG13 ILE 23 2HG1 ILE 23 10.365 -10.015 1.348 151 HG21 ILE 23 1HG2 ILE 23 14.045 -10.346 1.480 152 HG22 ILE 23 2HG2 ILE 23 14.367 -9.327 0.078 153 HG23 ILE 23 3HG2 ILE 23 13.816 -8.601 1.588 154 HD11 ILE 23 1HD1 ILE 23 10.956 -11.562 3.033 155 HD12 ILE 23 2HD1 ILE 23 11.797 -12.061 1.565 156 HD13 ILE 23 3HD1 ILE 23 12.675 -11.219 2.842 157 H ILE 24 H ILE 24 13.406 -6.409 -0.501 158 HA ILE 24 HA ILE 24 14.141 -7.208 -3.239 159 HB ILE 24 HB ILE 24 15.044 -4.701 -3.166 160 HG12 ILE 24 1HG1 ILE 24 12.750 -4.764 -1.198 161 HG13 ILE 24 2HG1 ILE 24 14.395 -4.219 -0.893 162 HG21 ILE 24 1HG2 ILE 24 13.060 -4.037 -4.348 163 HG22 ILE 24 2HG2 ILE 24 13.429 -5.712 -4.756 164 HG23 ILE 24 3HG2 ILE 24 12.135 -5.347 -3.615 165 HD11 ILE 24 1HD1 ILE 24 14.038 -2.377 -2.492 166 HD12 ILE 24 2HD1 ILE 24 12.363 -2.899 -2.672 167 HD13 ILE 24 3HD1 ILE 24 12.944 -2.323 -1.110 168 H THR 25 H THR 25 16.367 -6.751 -3.901 169 HA THR 25 HA THR 25 18.270 -6.880 -1.655 170 HB THR 25 HB THR 25 18.594 -8.389 -4.253 171 HG1 THR 25 1HG THR 25 16.943 -9.405 -3.175 172 HG21 THR 25 1HG2 THR 25 20.267 -9.646 -2.777 173 HG22 THR 25 2HG2 THR 25 20.132 -8.278 -1.671 174 HG23 THR 25 3HG2 THR 25 20.720 -8.029 -3.315 175 H LEU 26 H LEU 26 19.689 -5.274 -1.692 176 HA LEU 26 HA LEU 26 19.848 -3.258 -3.532 177 HB2 LEU 26 1HB LEU 26 21.919 -4.363 -1.660 178 HB3 LEU 26 2HB LEU 26 22.231 -2.945 -2.660 179 HG LEU 26 HG LEU 26 20.137 -3.204 -0.503 180 HD11 LEU 26 1HD1 LEU 26 21.679 -1.103 0.171 181 HD12 LEU 26 2HD1 LEU 26 22.875 -2.125 -0.625 182 HD13 LEU 26 3HD1 LEU 26 21.955 -2.747 0.745 183 HD21 LEU 26 1HD2 LEU 26 20.582 -1.187 -2.642 184 HD22 LEU 26 2HD2 LEU 26 20.101 -0.619 -1.043 185 HD23 LEU 26 3HD2 LEU 26 19.078 -1.759 -1.918 186 HA PRO 27 HA PRO 27 21.673 -1.825 -4.178 187 HB2 PRO 27 1HB PRO 27 21.621 -0.667 -6.633 188 HB3 PRO 27 2HB PRO 27 23.117 -1.186 -5.847 189 HG2 PRO 27 1HG PRO 27 21.504 -2.573 -7.954 190 HG3 PRO 27 2HG PRO 27 23.264 -2.388 -7.832 191 HD2 PRO 27 1HD PRO 27 21.985 -4.665 -7.117 192 HD3 PRO 27 2HD PRO 27 23.466 -4.108 -6.311 193 H ASP 28 H ASP 28 19.631 -3.611 -6.340 194 HA ASP 28 HA ASP 28 17.617 -1.926 -7.023 195 HB2 ASP 28 1HB ASP 28 17.655 -4.800 -6.220 196 HB3 ASP 28 2HB ASP 28 16.092 -4.013 -6.424 197 H ASN 29 H ASN 29 16.892 -0.325 -5.749 198 HA ASN 29 HA ASN 29 15.831 -1.070 -3.102 199 HB2 ASN 29 1HB ASN 29 16.295 1.296 -2.425 200 HB3 ASN 29 2HB ASN 29 17.743 0.358 -2.778 201 HD21 ASN 29 1HD2 ASN 29 19.056 2.024 -3.321 202 HD22 ASN 29 2HD2 ASN 29 18.812 3.030 -4.704 203 H GLU 30 H GLU 30 14.500 -1.048 -5.733 204 HA GLU 30 HA GLU 30 12.418 0.950 -5.137 205 HB2 GLU 30 1HB GLU 30 13.156 -0.100 -7.873 206 HB3 GLU 30 2HB GLU 30 11.959 1.136 -7.511 207 HG2 GLU 30 1HG GLU 30 13.806 2.536 -6.580 208 HG3 GLU 30 2HG GLU 30 14.941 1.333 -7.190 209 H VAL 31 H VAL 31 10.373 0.234 -4.953 210 HA VAL 31 HA VAL 31 9.688 -2.436 -5.934 211 HB VAL 31 HB VAL 31 10.301 -2.942 -3.690 212 HG11 VAL 31 1HG1 VAL 31 8.850 -0.415 -3.046 213 HG12 VAL 31 2HG1 VAL 31 8.980 -1.679 -1.822 214 HG13 VAL 31 3HG1 VAL 31 10.438 -0.967 -2.514 215 HG21 VAL 31 1HG2 VAL 31 7.308 -2.643 -3.900 216 HG22 VAL 31 2HG2 VAL 31 8.270 -4.029 -4.415 217 HG23 VAL 31 3HG2 VAL 31 8.140 -3.633 -2.702 218 H GLU 32 H GLU 32 7.568 -2.680 -6.522 219 HA GLU 32 HA GLU 32 5.877 -0.281 -6.268 220 HB2 GLU 32 1HB GLU 32 6.413 -0.615 -8.569 221 HB3 GLU 32 2HB GLU 32 6.067 -2.335 -8.468 222 HG2 GLU 32 1HG GLU 32 3.805 -2.032 -8.558 223 HG3 GLU 32 2HG GLU 32 3.884 -0.411 -7.868 224 H LEU 33 H LEU 33 4.419 -0.594 -4.717 225 HA LEU 33 HA LEU 33 3.326 -3.260 -4.255 226 HB2 LEU 33 1HB LEU 33 2.756 -0.744 -2.708 227 HB3 LEU 33 2HB LEU 33 2.469 -2.408 -2.203 228 HG LEU 33 HG LEU 33 5.270 -1.567 -2.763 229 HD11 LEU 33 1HD1 LEU 33 4.784 0.256 -1.428 230 HD12 LEU 33 2HD1 LEU 33 5.315 -0.943 -0.249 231 HD13 LEU 33 3HD1 LEU 33 3.594 -0.628 -0.472 232 HD21 LEU 33 1HD2 LEU 33 5.335 -3.028 -0.528 233 HD22 LEU 33 2HD2 LEU 33 5.314 -3.745 -2.139 234 HD23 LEU 33 3HD2 LEU 33 3.821 -3.624 -1.207 235 H LYS 34 H LYS 34 0.989 -3.512 -3.926 236 HA LYS 34 HA LYS 34 -0.604 -1.642 -5.547 237 HB2 LYS 34 1HB LYS 34 -0.059 -3.715 -6.818 238 HB3 LYS 34 2HB LYS 34 -0.877 -4.653 -5.575 239 HG2 LYS 34 1HG LYS 34 -2.578 -4.479 -7.057 240 HG3 LYS 34 2HG LYS 34 -2.857 -2.986 -6.157 241 HD2 LYS 34 1HD LYS 34 -2.112 -1.658 -7.862 242 HD3 LYS 34 2HD LYS 34 -1.005 -2.886 -8.480 243 HE2 LYS 34 1HE LYS 34 -4.005 -3.074 -8.690 244 HE3 LYS 34 2HE LYS 34 -2.978 -2.391 -9.950 245 HZ1 LYS 34 1HZ LYS 34 -3.560 -4.761 -10.287 246 HZ2 LYS 34 2HZ LYS 34 -2.686 -5.148 -8.892 247 HZ3 LYS 34 3HZ LYS 34 -1.892 -4.479 -10.228 248 H ALA 35 H ALA 35 -2.824 -1.486 -4.998 249 HA ALA 35 HA ALA 35 -3.476 -2.538 -2.321 250 HB1 ALA 35 1HB ALA 35 -3.641 -0.429 -1.644 251 HB2 ALA 35 2HB ALA 35 -3.429 0.176 -3.287 252 HB3 ALA 35 3HB ALA 35 -5.037 -0.261 -2.710 253 H PHE 36 H PHE 36 -4.895 -4.138 -2.618 254 HA PHE 36 HA PHE 36 -6.887 -3.951 -4.739 255 HB2 PHE 36 1HB PHE 36 -6.033 -6.184 -2.901 256 HB3 PHE 36 2HB PHE 36 -7.443 -6.314 -3.947 257 HD1 PHE 36 2HD PHE 36 -3.827 -5.421 -4.128 258 HD2 PHE 36 1HD PHE 36 -7.174 -7.236 -6.032 259 HE1 PHE 36 2HE PHE 36 -2.379 -6.138 -5.983 260 HE2 PHE 36 1HE PHE 36 -5.730 -7.956 -7.890 261 HZ PHE 36 HZ PHE 36 -3.330 -7.407 -7.868 262 H VAL 37 H VAL 37 -9.104 -4.012 -4.392 263 HA VAL 37 HA VAL 37 -10.072 -3.863 -1.636 264 HB VAL 37 HB VAL 37 -10.707 -1.762 -3.713 265 HG11 VAL 37 1HG1 VAL 37 -12.062 -2.606 -1.285 266 HG12 VAL 37 2HG1 VAL 37 -11.639 -0.893 -1.266 267 HG13 VAL 37 3HG1 VAL 37 -12.617 -1.547 -2.581 268 HG21 VAL 37 1HG2 VAL 37 -9.437 -0.241 -2.469 269 HG22 VAL 37 2HG2 VAL 37 -9.368 -1.306 -1.065 270 HG23 VAL 37 3HG2 VAL 37 -8.442 -1.696 -2.514 271 H ALA 38 H ALA 38 -11.816 -5.090 -1.394 272 HA ALA 38 HA ALA 38 -13.512 -5.609 -3.748 273 HB1 ALA 38 1HB ALA 38 -13.063 -7.635 -1.579 274 HB2 ALA 38 2HB ALA 38 -13.722 -7.876 -3.198 275 HB3 ALA 38 3HB ALA 38 -12.006 -7.526 -2.987 276 HA PRO 39 HA PRO 39 -15.398 -6.428 -4.288 277 HB2 PRO 39 1HB PRO 39 -17.497 -4.930 -5.139 278 HB3 PRO 39 2HB PRO 39 -17.694 -6.422 -4.211 279 HG2 PRO 39 1HG PRO 39 -17.787 -3.581 -3.272 280 HG3 PRO 39 2HG PRO 39 -18.845 -4.937 -2.841 281 HD2 PRO 39 1HD PRO 39 -16.832 -4.094 -1.239 282 HD3 PRO 39 2HD PRO 39 -17.339 -5.793 -1.321 283 H ALA 40 H ALA 40 -15.155 -5.430 -6.415 284 HA ALA 40 HA ALA 40 -13.367 -3.191 -6.323 285 HB1 ALA 40 1HB ALA 40 -13.954 -5.294 -8.137 286 HB2 ALA 40 2HB ALA 40 -14.114 -3.763 -8.998 287 HB3 ALA 40 3HB ALA 40 -12.608 -4.155 -8.169 288 HA PRO 41 HA PRO 41 -16.254 0.072 -6.960 289 HB2 PRO 41 1HB PRO 41 -14.585 1.910 -8.060 290 HB3 PRO 41 2HB PRO 41 -14.555 1.491 -6.343 291 HG2 PRO 41 1HG PRO 41 -12.779 0.539 -8.556 292 HG3 PRO 41 2HG PRO 41 -12.346 1.036 -6.910 293 HD2 PRO 41 1HD PRO 41 -12.557 -1.563 -7.639 294 HD3 PRO 41 2HD PRO 41 -12.950 -0.996 -6.003 295 HA PRO 42 HA PRO 42 -17.675 -0.273 -11.125 296 HB2 PRO 42 1HB PRO 42 -19.285 1.911 -11.207 297 HB3 PRO 42 2HB PRO 42 -19.710 0.437 -10.330 298 HG2 PRO 42 1HG PRO 42 -18.558 2.995 -9.286 299 HG3 PRO 42 2HG PRO 42 -19.849 1.989 -8.604 300 HD2 PRO 42 1HD PRO 42 -17.304 1.918 -7.681 301 HD3 PRO 42 2HD PRO 42 -18.363 0.493 -7.673 302 H VAL 43 H VAL 43 -18.264 1.599 -12.924 303 HA VAL 43 HA VAL 43 -15.684 2.601 -13.696 304 HB VAL 43 HB VAL 43 -17.069 1.723 -15.438 305 HG11 VAL 43 1HG1 VAL 43 -19.279 1.962 -15.511 306 HG12 VAL 43 2HG1 VAL 43 -19.170 2.874 -14.004 307 HG13 VAL 43 3HG1 VAL 43 -19.143 3.720 -15.551 308 HG21 VAL 43 1HG2 VAL 43 -17.378 4.595 -16.070 309 HG22 VAL 43 2HG2 VAL 43 -15.757 4.048 -15.642 310 HG23 VAL 43 3HG2 VAL 43 -16.610 3.305 -16.996 311 H GLU 44 H GLU 44 -18.417 3.855 -12.047 312 HA GLU 44 HA GLU 44 -17.681 6.628 -12.592 313 HB2 GLU 44 1HB GLU 44 -19.996 5.372 -11.121 314 HB3 GLU 44 2HB GLU 44 -19.704 7.105 -11.131 315 HG2 GLU 44 1HG GLU 44 -20.074 5.463 -13.622 316 HG3 GLU 44 2HG GLU 44 -21.384 6.301 -12.791 317 H THR 45 H THR 45 -18.668 5.001 -9.585 318 HA THR 45 HA THR 45 -17.232 6.739 -7.908 319 HB THR 45 HB THR 45 -18.141 3.919 -7.300 320 HG1 THR 45 1HG THR 45 -19.453 6.394 -7.406 321 HG21 THR 45 1HG2 THR 45 -16.611 4.594 -5.612 322 HG22 THR 45 2HG2 THR 45 -18.225 4.844 -4.946 323 HG23 THR 45 3HG2 THR 45 -17.295 6.217 -5.545 324 H THR 46 H THR 46 -15.137 6.865 -7.469 325 HA THR 46 HA THR 46 -13.460 4.478 -7.902 326 HB THR 46 HB THR 46 -11.593 6.107 -8.430 327 HG1 THR 46 1HG THR 46 -12.375 8.182 -9.199 328 HG21 THR 46 1HG2 THR 46 -13.213 6.710 -10.671 329 HG22 THR 46 2HG2 THR 46 -13.715 5.128 -10.074 330 HG23 THR 46 3HG2 THR 46 -12.028 5.416 -10.501 331 H TYR 47 H TYR 47 -12.713 3.750 -6.029 332 HA TYR 47 HA TYR 47 -12.739 5.224 -3.625 333 HB2 TYR 47 1HB TYR 47 -11.243 2.688 -4.317 334 HB3 TYR 47 2HB TYR 47 -11.470 3.316 -2.688 335 HD1 TYR 47 2HD TYR 47 -14.156 3.982 -2.353 336 HD2 TYR 47 1HD TYR 47 -12.562 0.860 -4.765 337 HE1 TYR 47 2HE TYR 47 -16.286 2.765 -2.176 338 HE2 TYR 47 1HE TYR 47 -14.688 -0.365 -4.596 339 HH TYR 47 HH TYR 47 -17.340 0.830 -2.580 340 H ASN 48 H ASN 48 -11.040 6.057 -2.380 341 HA ASN 48 HA ASN 48 -8.772 6.992 -3.970 342 HB2 ASN 48 1HB ASN 48 -10.148 7.943 -1.497 343 HB3 ASN 48 2HB ASN 48 -8.450 8.357 -1.716 344 HD21 ASN 48 1HD2 ASN 48 -11.431 9.508 -2.110 345 HD22 ASN 48 2HD2 ASN 48 -11.191 10.562 -3.457 346 H TYR 49 H TYR 49 -6.675 6.526 -3.509 347 HA TYR 49 HA TYR 49 -6.222 4.503 -1.420 348 HB2 TYR 49 1HB TYR 49 -4.486 5.095 -3.823 349 HB3 TYR 49 2HB TYR 49 -4.332 3.737 -2.713 350 HD1 TYR 49 1HD TYR 49 -6.037 1.929 -2.732 351 HD2 TYR 49 2HD TYR 49 -6.030 5.037 -5.637 352 HE1 TYR 49 1HE TYR 49 -7.502 0.577 -4.174 353 HE2 TYR 49 2HE TYR 49 -7.496 3.695 -7.086 354 HH TYR 49 HH TYR 49 -8.832 0.618 -6.003 355 H GLU 50 H GLU 50 -5.360 5.303 0.371 356 HA GLU 50 HA GLU 50 -3.347 7.441 0.126 357 HB2 GLU 50 1HB GLU 50 -5.270 8.373 1.195 358 HB3 GLU 50 2HB GLU 50 -5.428 6.984 2.261 359 HG2 GLU 50 1HG GLU 50 -3.658 7.638 3.596 360 HG3 GLU 50 2HG GLU 50 -2.962 8.665 2.344 361 H TRP 51 H TRP 51 -1.418 6.511 0.372 362 HA TRP 51 HA TRP 51 -1.086 4.276 2.209 363 HB2 TRP 51 1HB TRP 51 0.779 5.567 0.214 364 HB3 TRP 51 2HB TRP 51 1.258 4.249 1.279 365 HD1 TRP 51 HD TRP 51 -0.950 4.984 -1.765 366 HE1 TRP 51 1HE TRP 51 -1.540 2.754 -2.906 367 HE3 TRP 51 3HE TRP 51 0.982 1.762 1.702 368 HZ2 TRP 51 2HZ TRP 51 -1.228 -0.006 -2.403 369 HZ3 TRP 51 3HZ TRP 51 0.794 -0.657 1.297 370 HH2 TRP 51 HH TRP 51 -0.289 -1.521 -0.714 371 H ASN 52 H ASN 52 0.491 4.257 3.878 372 HA ASN 52 HA ASN 52 1.807 6.701 4.646 373 HB2 ASN 52 1HB ASN 52 -0.593 5.675 6.137 374 HB3 ASN 52 2HB ASN 52 0.673 6.564 6.978 375 HD21 ASN 52 1HD2 ASN 52 -2.168 6.807 5.263 376 HD22 ASN 52 2HD2 ASN 52 -2.128 8.500 4.917 377 H LEU 53 H LEU 53 3.615 6.279 5.777 378 HA LEU 53 HA LEU 53 4.282 3.523 6.304 379 HB2 LEU 53 1HB LEU 53 5.860 5.205 5.323 380 HB3 LEU 53 2HB LEU 53 5.909 5.986 6.903 381 HG LEU 53 HG LEU 53 6.924 4.005 7.877 382 HD11 LEU 53 1HD1 LEU 53 6.412 2.058 6.912 383 HD12 LEU 53 2HD1 LEU 53 7.739 2.413 5.806 384 HD13 LEU 53 3HD1 LEU 53 6.082 2.811 5.352 385 HD21 LEU 53 1HD2 LEU 53 8.537 4.436 5.415 386 HD22 LEU 53 2HD2 LEU 53 9.038 4.411 7.106 387 HD23 LEU 53 3HD2 LEU 53 8.200 5.820 6.455 388 H ILE 54 H ILE 54 4.176 2.504 8.197 389 HA ILE 54 HA ILE 54 3.791 4.127 10.629 390 HB ILE 54 HB ILE 54 2.559 2.069 11.509 391 HG12 ILE 54 1HG1 ILE 54 2.649 1.451 8.558 392 HG13 ILE 54 2HG1 ILE 54 3.127 0.414 9.898 393 HG21 ILE 54 1HG2 ILE 54 0.695 2.910 9.537 394 HG22 ILE 54 2HG2 ILE 54 0.817 3.410 11.223 395 HG23 ILE 54 3HG2 ILE 54 1.699 4.291 9.977 396 HD11 ILE 54 1HD1 ILE 54 0.544 0.784 10.509 397 HD12 ILE 54 2HD1 ILE 54 0.468 0.928 8.752 398 HD13 ILE 54 3HD1 ILE 54 1.132 -0.530 9.489 399 H SER 55 H SER 55 4.932 0.980 9.426 400 HA SER 55 HA SER 55 6.658 0.747 11.787 401 HB2 SER 55 1HB SER 55 5.043 -1.128 10.822 402 HB3 SER 55 2HB SER 55 6.426 -1.450 9.777 403 HG SER 55 HG SER 55 6.161 -2.447 12.070 404 H HIS 56 H HIS 56 8.522 1.799 11.447 405 HA HIS 56 HA HIS 56 10.313 0.834 9.422 406 HB2 HIS 56 1HB HIS 56 10.593 2.775 8.135 407 HB3 HIS 56 2HB HIS 56 8.846 2.640 8.312 408 HD1 HIS 56 1HD HIS 56 11.689 4.863 9.011 409 HD2 HIS 56 2HD HIS 56 7.717 4.520 10.178 410 HE1 HIS 56 1HE HIS 56 11.106 7.069 10.068 411 HE2 HIS 56 2HE HIS 56 8.724 6.808 10.843 412 HA PRO 57 HA PRO 57 13.251 1.907 12.505 413 HB2 PRO 57 1HB PRO 57 15.485 2.164 10.984 414 HB3 PRO 57 2HB PRO 57 14.745 0.601 11.346 415 HG2 PRO 57 1HG PRO 57 14.507 2.284 8.883 416 HG3 PRO 57 2HG PRO 57 14.725 0.530 9.022 417 HD2 PRO 57 1HD PRO 57 12.317 1.663 8.521 418 HD3 PRO 57 2HD PRO 57 12.491 0.159 9.449 419 H THR 58 H THR 58 14.804 3.583 13.149 420 HA THR 58 HA THR 58 13.818 6.198 12.491 421 HB THR 58 HB THR 58 14.638 5.409 14.792 422 HG1 THR 58 1HG THR 58 15.559 7.863 13.667 423 HG21 THR 58 1HG2 THR 58 16.962 5.594 15.285 424 HG22 THR 58 2HG2 THR 58 17.319 6.226 13.678 425 HG23 THR 58 3HG2 THR 58 16.822 4.545 13.875 426 H ASP 59 H ASP 59 16.636 4.283 11.699 427 HA ASP 59 HA ASP 59 18.292 6.322 10.709 428 HB2 ASP 59 1HB ASP 59 18.100 3.369 10.199 429 HB3 ASP 59 2HB ASP 59 19.215 4.361 9.263 430 H TYR 60 H TYR 60 15.668 4.512 9.236 431 HA TYR 60 HA TYR 60 15.953 4.930 6.578 432 HB2 TYR 60 1HB TYR 60 14.014 3.797 7.570 433 HB3 TYR 60 2HB TYR 60 13.397 5.341 8.145 434 HD1 TYR 60 1HD TYR 60 14.777 4.219 4.855 435 HD2 TYR 60 2HD TYR 60 11.496 5.910 6.970 436 HE1 TYR 60 1HE TYR 60 13.572 4.521 2.732 437 HE2 TYR 60 2HE TYR 60 10.281 6.216 4.854 438 HH TYR 60 HH TYR 60 11.788 5.463 1.745 439 H GLN 61 H GLN 61 15.930 6.580 5.162 440 HA GLN 61 HA GLN 61 15.119 9.237 6.114 441 HB2 GLN 61 1HB GLN 61 17.742 8.438 4.904 442 HB3 GLN 61 2HB GLN 61 17.120 10.064 4.655 443 HG2 GLN 61 1HG GLN 61 16.944 10.273 7.147 444 HG3 GLN 61 2HG GLN 61 17.813 8.744 7.264 445 HE21 GLN 61 1HE2 GLN 61 19.808 8.798 5.650 446 HE22 GLN 61 2HE2 GLN 61 20.838 10.166 5.874 447 H GLY 62 H GLY 62 13.536 7.563 4.572 448 HA2 GLY 62 1HA GLY 62 13.769 8.681 1.854 449 HA3 GLY 62 2HA GLY 62 12.911 7.204 2.264 450 H GLU 63 H GLU 63 11.673 9.087 0.730 451 HA GLU 63 HA GLU 63 9.656 10.163 2.586 452 HB2 GLU 63 1HB GLU 63 9.316 12.042 1.012 453 HB3 GLU 63 2HB GLU 63 10.927 12.029 1.715 454 HG2 GLU 63 1HG GLU 63 11.926 11.350 -0.272 455 HG3 GLU 63 2HG GLU 63 10.403 10.779 -0.952 456 H ILE 64 H ILE 64 7.610 9.595 2.179 457 HA ILE 64 HA ILE 64 7.072 8.145 -0.325 458 HB ILE 64 HB ILE 64 5.603 7.968 2.308 459 HG12 ILE 64 1HG1 ILE 64 7.187 5.755 1.043 460 HG13 ILE 64 2HG1 ILE 64 7.997 6.968 2.027 461 HG21 ILE 64 1HG2 ILE 64 3.933 7.243 1.005 462 HG22 ILE 64 2HG2 ILE 64 4.987 7.041 -0.393 463 HG23 ILE 64 3HG2 ILE 64 4.899 5.778 0.834 464 HD11 ILE 64 1HD1 ILE 64 6.718 6.365 3.944 465 HD12 ILE 64 2HD1 ILE 64 5.685 5.304 2.985 466 HD13 ILE 64 3HD1 ILE 64 7.381 4.891 3.239 467 H LYS 65 H LYS 65 5.204 8.568 -1.501 468 HA LYS 65 HA LYS 65 4.013 11.198 -0.977 469 HB2 LYS 65 1HB LYS 65 4.136 9.519 -3.486 470 HB3 LYS 65 2HB LYS 65 3.243 11.029 -3.362 471 HG2 LYS 65 1HG LYS 65 5.534 11.997 -2.588 472 HG3 LYS 65 2HG LYS 65 6.188 10.566 -3.387 473 HD2 LYS 65 1HD LYS 65 4.234 12.377 -4.770 474 HD3 LYS 65 2HD LYS 65 5.964 12.725 -4.762 475 HE2 LYS 65 1HE LYS 65 5.659 11.529 -6.735 476 HE3 LYS 65 2HE LYS 65 6.238 10.310 -5.602 477 HZ1 LYS 65 1HZ LYS 65 3.351 10.756 -6.051 478 HZ2 LYS 65 2HZ LYS 65 4.116 9.403 -5.383 479 HZ3 LYS 65 3HZ LYS 65 4.249 9.719 -7.040 480 H GLN 66 H GLN 66 3.165 8.930 0.537 481 HA GLN 66 HA GLN 66 1.319 7.693 1.099 482 HB2 GLN 66 1HB GLN 66 0.188 10.337 0.202 483 HB3 GLN 66 2HB GLN 66 -0.823 9.082 0.907 484 HG2 GLN 66 1HG GLN 66 0.036 9.360 2.990 485 HG3 GLN 66 2HG GLN 66 1.614 9.871 2.393 486 HE21 GLN 66 1HE2 GLN 66 -0.684 10.942 4.230 487 HE22 GLN 66 2HE2 GLN 66 -0.748 12.613 3.800 488 H GLY 67 H GLY 67 2.267 7.405 -1.703 489 HA2 GLY 67 1HA GLY 67 1.492 6.696 -3.785 490 HA3 GLY 67 2HA GLY 67 0.702 5.520 -2.745 491 H HIS 68 H HIS 68 0.228 8.874 -3.861 492 HA HIS 68 HA HIS 68 -2.428 9.207 -3.412 493 HB2 HIS 68 1HB HIS 68 -1.021 10.017 -5.965 494 HB3 HIS 68 2HB HIS 68 -2.482 10.744 -5.303 495 HD1 HIS 68 1HD HIS 68 -1.731 11.266 -2.441 496 HD2 HIS 68 2HD HIS 68 0.895 11.888 -5.601 497 HE1 HIS 68 1HE HIS 68 -0.043 12.928 -1.596 498 HE2 HIS 68 2HE HIS 68 1.486 13.352 -3.552 499 H LYS 69 H LYS 69 -0.982 6.989 -5.611 500 HA LYS 69 HA LYS 69 -3.578 6.432 -6.870 501 HB2 LYS 69 1HB LYS 69 -0.742 6.010 -7.696 502 HB3 LYS 69 2HB LYS 69 -1.960 4.895 -8.301 503 HG2 LYS 69 1HG LYS 69 -2.161 7.882 -8.583 504 HG3 LYS 69 2HG LYS 69 -1.436 6.828 -9.799 505 HD2 LYS 69 1HD LYS 69 -4.218 6.366 -8.763 506 HD3 LYS 69 2HD LYS 69 -3.897 7.478 -10.096 507 HE2 LYS 69 1HE LYS 69 -2.734 4.745 -10.236 508 HE3 LYS 69 2HE LYS 69 -4.467 4.922 -10.505 509 HZ1 LYS 69 1HZ LYS 69 -2.236 6.056 -12.070 510 HZ2 LYS 69 2HZ LYS 69 -3.782 6.738 -12.145 511 HZ3 LYS 69 3HZ LYS 69 -3.545 5.128 -12.609 512 H GLN 70 H GLN 70 -3.576 3.915 -7.540 513 HA GLN 70 HA GLN 70 -3.954 2.518 -5.098 514 HB2 GLN 70 1HB GLN 70 -5.376 1.958 -6.924 515 HB3 GLN 70 2HB GLN 70 -4.008 1.646 -7.984 516 HG2 GLN 70 1HG GLN 70 -3.431 -0.207 -6.261 517 HG3 GLN 70 2HG GLN 70 -5.120 -0.035 -5.786 518 HE21 GLN 70 1HE2 GLN 70 -5.848 -1.969 -6.513 519 HE22 GLN 70 2HE2 GLN 70 -5.879 -2.423 -8.180 520 H THR 71 H THR 71 -1.336 2.736 -7.376 521 HA THR 71 HA THR 71 0.115 0.619 -5.936 522 HB THR 71 HB THR 71 1.721 0.842 -7.952 523 HG1 THR 71 1HG THR 71 -0.645 1.965 -9.081 524 HG21 THR 71 1HG2 THR 71 -0.801 -0.241 -9.000 525 HG22 THR 71 2HG2 THR 71 -0.346 -0.845 -7.406 526 HG23 THR 71 3HG2 THR 71 0.761 -1.026 -8.767 527 H LEU 72 H LEU 72 1.945 1.070 -4.843 528 HA LEU 72 HA LEU 72 2.863 3.867 -4.866 529 HB2 LEU 72 1HB LEU 72 1.931 3.099 -2.734 530 HB3 LEU 72 2HB LEU 72 3.111 1.790 -2.694 531 HG LEU 72 HG LEU 72 4.919 3.430 -2.490 532 HD11 LEU 72 1HD1 LEU 72 4.569 5.504 -3.197 533 HD12 LEU 72 2HD1 LEU 72 3.598 5.768 -1.749 534 HD13 LEU 72 3HD1 LEU 72 2.823 5.255 -3.248 535 HD21 LEU 72 1HD2 LEU 72 3.368 2.536 -0.535 536 HD22 LEU 72 2HD2 LEU 72 3.003 4.255 -0.379 537 HD23 LEU 72 3HD2 LEU 72 4.669 3.691 -0.242 538 H ASN 73 H ASN 73 4.939 4.329 -5.328 539 HA ASN 73 HA ASN 73 6.758 2.055 -5.782 540 HB2 ASN 73 1HB ASN 73 7.205 4.659 -7.165 541 HB3 ASN 73 2HB ASN 73 7.556 3.022 -7.712 542 HD21 ASN 73 1HD2 ASN 73 5.268 1.719 -7.623 543 HD22 ASN 73 2HD2 ASN 73 4.066 2.465 -8.614 544 H LEU 74 H LEU 74 8.571 2.008 -4.625 545 HA LEU 74 HA LEU 74 9.294 4.401 -3.082 546 HB2 LEU 74 1HB LEU 74 9.523 1.481 -2.617 547 HB3 LEU 74 2HB LEU 74 10.788 2.509 -1.948 548 HG LEU 74 HG LEU 74 9.190 2.133 -0.231 549 HD11 LEU 74 1HD1 LEU 74 8.260 4.811 -1.078 550 HD12 LEU 74 2HD1 LEU 74 10.000 4.578 -0.914 551 HD13 LEU 74 3HD1 LEU 74 8.937 4.275 0.460 552 HD21 LEU 74 1HD2 LEU 74 7.366 1.553 -1.962 553 HD22 LEU 74 2HD2 LEU 74 6.980 3.273 -1.903 554 HD23 LEU 74 3HD2 LEU 74 6.882 2.296 -0.437 555 H SER 75 H SER 75 11.463 5.078 -2.946 556 HA SER 75 HA SER 75 13.402 3.857 -4.745 557 HB2 SER 75 1HB SER 75 13.815 5.795 -6.042 558 HB3 SER 75 2HB SER 75 12.059 5.637 -6.007 559 HG SER 75 HG SER 75 13.693 7.425 -4.548 560 H GLN 76 H GLN 76 15.574 4.527 -4.351 561 HA GLN 76 HA GLN 76 17.338 5.044 -3.013 562 HB2 GLN 76 1HB GLN 76 15.490 7.211 -1.997 563 HB3 GLN 76 2HB GLN 76 17.229 7.148 -1.746 564 HG2 GLN 76 1HG GLN 76 17.295 7.061 -4.360 565 HG3 GLN 76 2HG GLN 76 15.689 7.772 -4.214 566 HE21 GLN 76 1HE2 GLN 76 19.029 8.326 -4.141 567 HE22 GLN 76 2HE2 GLN 76 18.989 9.990 -3.680 568 H LEU 77 H LEU 77 15.421 3.082 -2.114 569 HA LEU 77 HA LEU 77 15.009 3.412 0.700 570 HB2 LEU 77 1HB LEU 77 14.738 1.097 -1.191 571 HB3 LEU 77 2HB LEU 77 14.512 0.905 0.546 572 HG LEU 77 HG LEU 77 12.899 2.792 -1.166 573 HD11 LEU 77 1HD1 LEU 77 12.520 -0.085 -0.483 574 HD12 LEU 77 2HD1 LEU 77 12.194 0.768 -1.991 575 HD13 LEU 77 3HD1 LEU 77 11.112 0.969 -0.613 576 HD21 LEU 77 1HD2 LEU 77 12.984 3.422 1.172 577 HD22 LEU 77 2HD2 LEU 77 12.546 1.783 1.655 578 HD23 LEU 77 3HD2 LEU 77 11.389 2.783 0.776 579 H SER 78 H SER 78 15.809 1.583 2.198 580 HA SER 78 HA SER 78 18.552 0.773 1.598 581 HB2 SER 78 1HB SER 78 19.240 1.569 3.914 582 HB3 SER 78 2HB SER 78 18.961 2.836 2.719 583 HG SER 78 HG SER 78 16.773 2.067 4.245 584 H VAL 79 H VAL 79 19.382 -0.453 3.728 585 HA VAL 79 HA VAL 79 17.736 -2.750 3.949 586 HB VAL 79 HB VAL 79 20.126 -1.966 5.624 587 HG11 VAL 79 1HG1 VAL 79 19.646 -4.799 5.244 588 HG12 VAL 79 2HG1 VAL 79 19.933 -3.891 6.730 589 HG13 VAL 79 3HG1 VAL 79 18.303 -4.004 6.064 590 HG21 VAL 79 1HG2 VAL 79 21.078 -2.121 3.561 591 HG22 VAL 79 2HG2 VAL 79 21.093 -3.830 3.996 592 HG23 VAL 79 3HG2 VAL 79 19.828 -3.200 2.941 593 H GLY 80 H GLY 80 15.907 -2.829 5.076 594 HA2 GLY 80 1HA GLY 80 15.702 -2.636 7.811 595 HA3 GLY 80 2HA GLY 80 15.328 -1.024 7.219 596 H LEU 81 H LEU 81 13.434 -2.365 8.622 597 HA LEU 81 HA LEU 81 11.630 -3.656 6.740 598 HB2 LEU 81 1HB LEU 81 11.887 -4.584 8.985 599 HB3 LEU 81 2HB LEU 81 11.329 -3.064 9.682 600 HG LEU 81 HG LEU 81 9.131 -3.451 8.539 601 HD11 LEU 81 1HD1 LEU 81 10.541 -5.429 7.194 602 HD12 LEU 81 2HD1 LEU 81 8.800 -5.154 7.152 603 HD13 LEU 81 3HD1 LEU 81 9.483 -6.308 8.297 604 HD21 LEU 81 1HD2 LEU 81 9.071 -3.908 10.802 605 HD22 LEU 81 2HD2 LEU 81 10.222 -5.238 10.673 606 HD23 LEU 81 3HD2 LEU 81 8.565 -5.447 10.105 607 H TYR 82 H TYR 82 9.783 -2.788 5.944 608 HA TYR 82 HA TYR 82 8.908 -0.171 6.921 609 HB2 TYR 82 1HB TYR 82 9.185 -0.678 3.965 610 HB3 TYR 82 2HB TYR 82 8.920 0.853 4.791 611 HD1 TYR 82 2HD TYR 82 10.815 1.760 6.248 612 HD2 TYR 82 1HD TYR 82 11.354 -1.386 3.435 613 HE1 TYR 82 2HE TYR 82 13.237 2.186 6.245 614 HE2 TYR 82 1HE TYR 82 13.778 -0.970 3.425 615 HH TYR 82 HH TYR 82 15.366 0.672 3.962 616 H VAL 83 H VAL 83 6.858 -0.452 7.474 617 HA VAL 83 HA VAL 83 5.185 -2.268 5.874 618 HB VAL 83 HB VAL 83 4.767 -1.263 8.693 619 HG11 VAL 83 1HG1 VAL 83 3.161 -3.527 7.905 620 HG12 VAL 83 2HG1 VAL 83 2.664 -1.985 8.605 621 HG13 VAL 83 3HG1 VAL 83 2.861 -2.139 6.859 622 HG21 VAL 83 1HG2 VAL 83 6.596 -2.929 8.379 623 HG22 VAL 83 2HG2 VAL 83 5.280 -3.492 9.409 624 HG23 VAL 83 3HG2 VAL 83 5.396 -4.053 7.741 625 H PHE 84 H PHE 84 4.036 -1.222 4.389 626 HA PHE 84 HA PHE 84 3.108 1.499 4.923 627 HB2 PHE 84 1HB PHE 84 2.806 -0.015 2.333 628 HB3 PHE 84 2HB PHE 84 2.774 1.727 2.585 629 HD1 PHE 84 2HD PHE 84 4.821 2.984 2.867 630 HD2 PHE 84 1HD PHE 84 4.892 -1.227 2.252 631 HE1 PHE 84 2HE PHE 84 7.225 3.102 2.360 632 HE2 PHE 84 1HE PHE 84 7.297 -1.116 1.745 633 HZ PHE 84 HZ PHE 84 8.467 1.051 1.798 634 H LYS 85 H LYS 85 1.016 2.035 5.195 635 HA LYS 85 HA LYS 85 -0.965 -0.141 5.025 636 HB2 LYS 85 1HB LYS 85 -0.805 0.402 7.304 637 HB3 LYS 85 2HB LYS 85 -0.656 2.123 6.977 638 HG2 LYS 85 1HG LYS 85 -3.002 2.174 6.254 639 HG3 LYS 85 2HG LYS 85 -3.142 0.457 6.638 640 HD2 LYS 85 1HD LYS 85 -3.932 1.336 8.589 641 HD3 LYS 85 2HD LYS 85 -2.211 1.288 8.978 642 HE2 LYS 85 1HE LYS 85 -2.656 3.442 9.568 643 HE3 LYS 85 2HE LYS 85 -2.276 3.692 7.864 644 HZ1 LYS 85 1HZ LYS 85 -5.053 3.097 8.503 645 HZ2 LYS 85 2HZ LYS 85 -4.410 4.169 7.364 646 HZ3 LYS 85 3HZ LYS 85 -4.481 4.611 8.996 647 H VAL 86 H VAL 86 -2.175 0.116 3.267 648 HA VAL 86 HA VAL 86 -2.687 2.761 2.183 649 HB VAL 86 HB VAL 86 -2.231 1.225 0.483 650 HG11 VAL 86 1HG1 VAL 86 -3.840 -0.654 2.135 651 HG12 VAL 86 2HG1 VAL 86 -3.756 -0.927 0.394 652 HG13 VAL 86 3HG1 VAL 86 -2.277 -0.889 1.354 653 HG21 VAL 86 1HG2 VAL 86 -4.647 2.487 0.538 654 HG22 VAL 86 2HG2 VAL 86 -3.974 1.656 -0.864 655 HG23 VAL 86 3HG2 VAL 86 -5.118 0.823 0.189 656 H THR 87 H THR 87 -4.201 3.876 3.266 657 HA THR 87 HA THR 87 -6.570 2.542 4.298 658 HB THR 87 HB THR 87 -6.162 5.511 4.406 659 HG1 THR 87 1HG THR 87 -4.539 5.311 5.759 660 HG21 THR 87 1HG2 THR 87 -7.059 3.995 6.756 661 HG22 THR 87 2HG2 THR 87 -8.125 3.878 5.356 662 HG23 THR 87 3HG2 THR 87 -7.723 5.457 6.029 663 H VAL 88 H VAL 88 -8.169 2.156 2.911 664 HA VAL 88 HA VAL 88 -8.859 4.253 0.956 665 HB VAL 88 HB VAL 88 -9.125 1.258 0.692 666 HG11 VAL 88 1HG1 VAL 88 -10.149 3.441 -1.120 667 HG12 VAL 88 2HG1 VAL 88 -10.091 1.727 -1.535 668 HG13 VAL 88 3HG1 VAL 88 -11.118 2.281 -0.211 669 HG21 VAL 88 1HG2 VAL 88 -6.896 2.388 0.257 670 HG22 VAL 88 2HG2 VAL 88 -7.552 1.418 -1.063 671 HG23 VAL 88 3HG2 VAL 88 -7.675 3.177 -1.115 672 H SER 89 H SER 89 -10.671 5.262 1.491 673 HA SER 89 HA SER 89 -12.953 3.688 2.431 674 HB2 SER 89 1HB SER 89 -13.421 5.124 4.273 675 HB3 SER 89 2HB SER 89 -11.709 4.718 4.397 676 HG SER 89 HG SER 89 -11.260 6.738 3.387 677 H SER 90 H SER 90 -14.990 4.638 2.023 678 HA SER 90 HA SER 90 -14.924 6.925 0.165 679 HB2 SER 90 1HB SER 90 -15.366 4.659 -0.909 680 HB3 SER 90 2HB SER 90 -16.891 4.641 -0.024 681 HG SER 90 HG SER 90 -16.366 5.824 -2.327 682 H GLU 91 H GLU 91 -17.259 7.818 -0.118 683 HA GLU 91 HA GLU 91 -18.071 9.163 2.063 684 HB2 GLU 91 1HB GLU 91 -19.043 9.603 -0.102 685 HB3 GLU 91 2HB GLU 91 -19.837 8.035 -0.112 686 HG2 GLU 91 1HG GLU 91 -21.247 8.715 1.746 687 HG3 GLU 91 2HG GLU 91 -20.432 10.276 1.806 688 H ASN 92 H ASN 92 -19.554 6.074 1.069 689 HA ASN 92 HA ASN 92 -20.399 5.696 3.867 690 HB2 ASN 92 1HB ASN 92 -22.144 4.136 2.828 691 HB3 ASN 92 2HB ASN 92 -22.378 5.865 2.587 692 HD21 ASN 92 1HD2 ASN 92 -23.128 6.254 0.645 693 HD22 ASN 92 2HD2 ASN 92 -22.639 5.472 -0.816 694 H ALA 93 H ALA 93 -17.829 4.982 3.084 695 HA ALA 93 HA ALA 93 -17.874 2.162 3.695 696 HB1 ALA 93 1HB ALA 93 -16.673 1.379 1.797 697 HB2 ALA 93 2HB ALA 93 -18.071 2.272 1.197 698 HB3 ALA 93 3HB ALA 93 -16.473 3.016 1.171 699 H PHE 94 H PHE 94 -15.695 1.315 4.136 700 HA PHE 94 HA PHE 94 -13.486 3.124 4.335 701 HB2 PHE 94 1HB PHE 94 -14.384 4.024 6.274 702 HB3 PHE 94 2HB PHE 94 -15.151 2.510 6.744 703 HD1 PHE 94 1HD PHE 94 -11.630 3.435 5.927 704 HD2 PHE 94 2HD PHE 94 -14.348 1.824 8.779 705 HE1 PHE 94 1HE PHE 94 -9.752 2.961 7.444 706 HE2 PHE 94 2HE PHE 94 -12.474 1.348 10.301 707 HZ PHE 94 HZ PHE 94 -10.172 1.917 9.634 708 H GLY 95 H GLY 95 -11.600 2.027 4.391 709 HA2 GLY 95 1HA GLY 95 -11.339 -0.566 5.580 710 HA3 GLY 95 2HA GLY 95 -11.424 -0.653 3.827 711 H GLU 96 H GLU 96 -9.199 -1.494 5.316 712 HA GLU 96 HA GLU 96 -7.142 0.004 4.004 713 HB2 GLU 96 1HB GLU 96 -5.879 0.454 6.159 714 HB3 GLU 96 2HB GLU 96 -7.264 1.489 5.841 715 HG2 GLU 96 1HG GLU 96 -7.644 1.013 8.025 716 HG3 GLU 96 2HG GLU 96 -8.516 -0.327 7.283 717 H GLY 97 H GLY 97 -5.016 -0.989 4.249 718 HA2 GLY 97 1HA GLY 97 -5.154 -3.756 5.271 719 HA3 GLY 97 2HA GLY 97 -4.495 -3.407 3.679 720 H PHE 98 H PHE 98 -2.690 -4.655 4.805 721 HA PHE 98 HA PHE 98 -0.729 -2.709 5.693 722 HB2 PHE 98 1HB PHE 98 -1.544 -5.074 7.388 723 HB3 PHE 98 2HB PHE 98 -0.057 -4.165 7.633 724 HD1 PHE 98 1HD PHE 98 -0.118 -1.879 8.466 725 HD2 PHE 98 2HD PHE 98 -3.678 -4.164 7.998 726 HE1 PHE 98 1HE PHE 98 -1.332 -0.271 9.879 727 HE2 PHE 98 2HE PHE 98 -4.898 -2.560 9.410 728 HZ PHE 98 HZ PHE 98 -3.725 -0.610 10.352 729 H VAL 99 H VAL 99 1.115 -3.089 4.665 730 HA VAL 99 HA VAL 99 1.762 -5.856 3.890 731 HB VAL 99 HB VAL 99 0.950 -4.623 1.919 732 HG11 VAL 99 1HG1 VAL 99 1.409 -2.384 2.230 733 HG12 VAL 99 2HG1 VAL 99 3.061 -2.689 2.772 734 HG13 VAL 99 3HG1 VAL 99 2.650 -2.841 1.063 735 HG21 VAL 99 1HG2 VAL 99 3.542 -5.879 2.194 736 HG22 VAL 99 2HG2 VAL 99 2.334 -6.057 0.922 737 HG23 VAL 99 3HG2 VAL 99 3.508 -4.743 0.845 738 H ASN 100 H ASN 100 3.912 -6.439 3.974 739 HA ASN 100 HA ASN 100 5.676 -4.515 5.328 740 HB2 ASN 100 1HB ASN 100 5.833 -7.538 5.255 741 HB3 ASN 100 2HB ASN 100 6.916 -6.474 6.148 742 HD21 ASN 100 1HD2 ASN 100 6.263 -7.706 8.006 743 HD22 ASN 100 2HD2 ASN 100 4.786 -7.320 8.815 744 H VAL 101 H VAL 101 7.770 -4.178 4.614 745 HA VAL 101 HA VAL 101 8.617 -5.514 2.149 746 HB VAL 101 HB VAL 101 8.533 -2.511 2.473 747 HG11 VAL 101 1HG1 VAL 101 9.414 -4.038 0.039 748 HG12 VAL 101 2HG1 VAL 101 9.609 -2.319 0.388 749 HG13 VAL 101 3HG1 VAL 101 10.545 -3.514 1.286 750 HG21 VAL 101 1HG2 VAL 101 6.356 -3.247 1.926 751 HG22 VAL 101 2HG2 VAL 101 7.073 -2.701 0.410 752 HG23 VAL 101 3HG2 VAL 101 6.964 -4.425 0.763 753 H THR 102 H THR 102 10.550 -6.334 2.567 754 HA THR 102 HA THR 102 12.350 -4.877 4.385 755 HB THR 102 HB THR 102 12.269 -7.809 3.657 756 HG1 THR 102 1HG THR 102 10.757 -7.171 5.243 757 HG21 THR 102 1HG2 THR 102 14.537 -7.527 3.914 758 HG22 THR 102 2HG2 THR 102 14.059 -7.803 5.589 759 HG23 THR 102 3HG2 THR 102 14.352 -6.162 5.015 760 H VAL 103 H VAL 103 14.557 -4.662 3.856 761 HA VAL 103 HA VAL 103 15.166 -5.021 0.993 762 HB VAL 103 HB VAL 103 16.087 -2.788 2.807 763 HG11 VAL 103 1HG1 VAL 103 17.874 -2.819 1.438 764 HG12 VAL 103 2HG1 VAL 103 17.043 -3.766 0.203 765 HG13 VAL 103 3HG1 VAL 103 16.779 -2.025 0.306 766 HG21 VAL 103 1HG2 VAL 103 14.753 -1.336 1.436 767 HG22 VAL 103 2HG2 VAL 103 14.326 -2.668 0.362 768 HG23 VAL 103 3HG2 VAL 103 13.730 -2.648 2.022 769 H LYS 104 H LYS 104 16.415 -6.806 0.979 770 HA LYS 104 HA LYS 104 18.275 -7.462 3.029 771 HB2 LYS 104 1HB LYS 104 18.144 -8.520 0.200 772 HB3 LYS 104 2HB LYS 104 18.973 -9.272 1.556 773 HG2 LYS 104 1HG LYS 104 16.018 -8.762 1.593 774 HG3 LYS 104 2HG LYS 104 16.712 -10.223 0.886 775 HD2 LYS 104 1HD LYS 104 16.381 -10.984 3.006 776 HD3 LYS 104 2HD LYS 104 17.984 -10.277 3.221 777 HE2 LYS 104 1HE LYS 104 16.532 -8.115 3.747 778 HE3 LYS 104 2HE LYS 104 15.337 -9.335 4.185 779 HZ1 LYS 104 1HZ LYS 104 16.579 -10.061 5.931 780 HZ2 LYS 104 2HZ LYS 104 17.066 -8.441 5.918 781 HZ3 LYS 104 3HZ LYS 104 18.057 -9.627 5.230 782 HA PRO 105 HA PRO 105 21.811 -5.138 1.839 783 HB2 PRO 105 1HB PRO 105 23.784 -6.772 2.738 784 HB3 PRO 105 2HB PRO 105 22.757 -5.822 3.818 785 HG2 PRO 105 1HG PRO 105 22.553 -8.713 3.069 786 HG3 PRO 105 2HG PRO 105 22.368 -7.954 4.661 787 HD2 PRO 105 1HD PRO 105 20.250 -8.696 3.145 788 HD3 PRO 105 2HD PRO 105 20.201 -7.294 4.233 789 H ALA 106 H ALA 106 23.267 -4.952 0.183 790 HA ALA 106 HA ALA 106 23.003 -6.569 -2.076 791 HB1 ALA 106 1HB ALA 106 25.224 -5.405 -2.741 792 HB2 ALA 106 2HB ALA 106 23.767 -4.435 -2.529 793 HB3 ALA 106 3HB ALA 106 24.985 -4.487 -1.255 794 H ARG 107 H ARG 107 23.516 -8.664 -2.132 795 HA ARG 107 HA ARG 107 25.802 -9.675 -0.654 796 HB2 ARG 107 1HB ARG 107 25.008 -11.895 -1.601 797 HB3 ARG 107 2HB ARG 107 23.896 -11.068 -0.518 798 HG2 ARG 107 1HG ARG 107 22.391 -10.629 -2.167 799 HG3 ARG 107 2HG ARG 107 23.624 -10.565 -3.428 800 HD2 ARG 107 1HD ARG 107 22.376 -12.528 -3.836 801 HD3 ARG 107 2HD ARG 107 23.893 -13.058 -3.110 802 HE ARG 107 HE ARG 107 21.708 -12.676 -1.255 803 HH11 ARG 107 2HH1 ARG 107 23.422 -14.896 -3.317 804 HH12 ARG 107 1HH1 ARG 107 22.879 -16.307 -2.470 805 HH21 ARG 107 2HH2 ARG 107 20.986 -14.525 -0.131 806 HH22 ARG 107 1HH2 ARG 107 21.492 -16.095 -0.658 807 H SER 108 H SER 108 27.399 -8.505 -1.913 808 HA SER 108 HA SER 108 28.082 -9.948 -4.383 809 HB2 SER 108 1HB SER 108 28.311 -6.959 -3.954 810 HB3 SER 108 2HB SER 108 28.905 -7.832 -5.366 811 HG SER 108 HG SER 108 26.958 -7.309 -6.053 812 H GLY 109 H GLY 109 30.449 -9.407 -5.012 813 HA2 GLY 109 1HA GLY 109 32.610 -8.671 -4.024 814 HA3 GLY 109 2HA GLY 109 32.068 -9.439 -2.539 815 HA PRO 110 HA PRO 110 34.698 -12.399 -5.042 816 HB2 PRO 110 1HB PRO 110 36.531 -12.858 -3.092 817 HB3 PRO 110 2HB PRO 110 36.683 -11.543 -4.263 818 HG2 PRO 110 1HG PRO 110 35.691 -11.460 -1.440 819 HG3 PRO 110 2HG PRO 110 36.771 -10.332 -2.280 820 HD2 PRO 110 1HD PRO 110 34.138 -9.822 -1.905 821 HD3 PRO 110 2HD PRO 110 35.028 -9.248 -3.330 822 H SER 111 H SER 111 33.961 -12.499 -1.556 823 HA SER 111 HA SER 111 34.079 -15.128 -0.976 824 HB2 SER 111 1HB SER 111 32.038 -13.072 -0.164 825 HB3 SER 111 2HB SER 111 31.957 -14.722 0.450 826 HG SER 111 HG SER 111 34.383 -13.324 0.595 827 H SER 112 H SER 112 31.105 -13.619 -2.248 828 HA SER 112 HA SER 112 29.836 -16.105 -2.766 829 HB2 SER 112 1HB SER 112 28.704 -13.850 -2.410 830 HB3 SER 112 2HB SER 112 29.145 -13.473 -4.076 831 HG SER 112 HG SER 112 27.670 -15.775 -3.326 832 H GLY 113 H GLY 113 30.022 -17.444 -4.442 833 HA2 GLY 113 1HA GLY 113 30.447 -18.210 -6.577 834 HA3 GLY 113 2HA GLY 113 30.599 -16.538 -7.096 Start of MODEL 9 1 H1 GLY 1 H GLY 1 -27.014 23.558 13.032 2 HA2 GLY 1 1HA GLY 1 -28.894 22.235 13.790 3 HA3 GLY 1 2HA GLY 1 -29.351 22.976 12.264 4 H SER 2 H SER 2 -29.162 20.111 13.945 5 HA SER 2 HA SER 2 -29.443 18.568 11.454 6 HB2 SER 2 1HB SER 2 -27.829 17.923 13.905 7 HB3 SER 2 2HB SER 2 -28.467 16.628 12.893 8 HG SER 2 HG SER 2 -27.178 17.226 11.275 9 H SER 3 H SER 3 -31.477 17.911 11.310 10 HA SER 3 HA SER 3 -33.170 17.677 13.620 11 HB2 SER 3 1HB SER 3 -34.925 17.084 12.009 12 HB3 SER 3 2HB SER 3 -34.044 18.514 11.473 13 HG SER 3 HG SER 3 -34.057 15.925 10.424 14 H GLY 4 H GLY 4 -32.599 16.008 14.928 15 HA2 GLY 4 1HA GLY 4 -32.568 13.831 15.670 16 HA3 GLY 4 2HA GLY 4 -33.354 13.379 14.164 17 H SER 5 H SER 5 -31.817 11.493 14.740 18 HA SER 5 HA SER 5 -29.398 11.871 13.132 19 HB2 SER 5 1HB SER 5 -28.014 10.671 14.718 20 HB3 SER 5 2HB SER 5 -28.773 12.031 15.545 21 HG SER 5 HG SER 5 -30.005 10.685 16.672 22 H SER 6 H SER 6 -28.360 9.649 12.690 23 HA SER 6 HA SER 6 -30.461 7.940 11.659 24 HB2 SER 6 1HB SER 6 -27.452 7.828 11.353 25 HB3 SER 6 2HB SER 6 -28.579 6.736 10.549 26 HG SER 6 HG SER 6 -27.942 9.347 9.976 27 H GLY 7 H GLY 7 -29.547 5.449 11.676 28 HA2 GLY 7 1HA GLY 7 -28.945 4.785 14.483 29 HA3 GLY 7 2HA GLY 7 -30.322 4.044 13.682 30 HA PRO 8 HA PRO 8 -27.669 0.758 12.471 31 HB2 PRO 8 1HB PRO 8 -29.110 -0.221 10.389 32 HB3 PRO 8 2HB PRO 8 -29.586 -0.446 12.077 33 HG2 PRO 8 1HG PRO 8 -30.583 1.546 10.077 34 HG3 PRO 8 2HG PRO 8 -31.500 0.582 11.250 35 HD2 PRO 8 1HD PRO 8 -30.876 3.183 11.672 36 HD3 PRO 8 2HD PRO 8 -31.007 2.006 12.995 37 H ARG 9 H ARG 9 -28.401 3.420 10.448 38 HA ARG 9 HA ARG 9 -27.141 2.727 8.058 39 HB2 ARG 9 1HB ARG 9 -28.522 4.753 8.371 40 HB3 ARG 9 2HB ARG 9 -27.250 5.452 9.364 41 HG2 ARG 9 1HG ARG 9 -27.014 6.422 7.240 42 HG3 ARG 9 2HG ARG 9 -25.734 5.213 7.354 43 HD2 ARG 9 1HD ARG 9 -26.574 4.785 5.255 44 HD3 ARG 9 2HD ARG 9 -27.502 3.653 6.238 45 HE ARG 9 HE ARG 9 -28.849 6.141 5.987 46 HH11 ARG 9 2HH1 ARG 9 -28.114 3.201 4.273 47 HH12 ARG 9 1HH1 ARG 9 -29.522 3.281 3.267 48 HH21 ARG 9 2HH2 ARG 9 -30.707 6.258 4.668 49 HH22 ARG 9 1HH2 ARG 9 -30.995 5.021 3.491 50 H THR 10 H THR 10 -25.176 1.814 8.029 51 HA THR 10 HA THR 10 -22.963 3.324 9.239 52 HB THR 10 HB THR 10 -21.854 1.077 9.696 53 HG1 THR 10 1HG THR 10 -23.619 -0.558 10.129 54 HG21 THR 10 1HG2 THR 10 -24.048 2.356 11.201 55 HG22 THR 10 2HG2 THR 10 -22.390 2.006 11.690 56 HG23 THR 10 3HG2 THR 10 -23.607 0.730 11.718 57 H VAL 11 H VAL 11 -20.798 2.468 8.364 58 HA VAL 11 HA VAL 11 -20.922 2.608 5.498 59 HB VAL 11 HB VAL 11 -18.480 2.575 5.567 60 HG11 VAL 11 1HG1 VAL 11 -18.135 4.633 6.763 61 HG12 VAL 11 2HG1 VAL 11 -19.733 4.671 6.014 62 HG13 VAL 11 3HG1 VAL 11 -19.575 4.352 7.742 63 HG21 VAL 11 1HG2 VAL 11 -17.448 1.439 7.175 64 HG22 VAL 11 2HG2 VAL 11 -17.890 2.722 8.302 65 HG23 VAL 11 3HG2 VAL 11 -18.938 1.316 8.111 66 H LYS 12 H LYS 12 -19.495 1.092 4.187 67 HA LYS 12 HA LYS 12 -20.274 -1.647 4.840 68 HB2 LYS 12 1HB LYS 12 -19.558 -0.190 2.341 69 HB3 LYS 12 2HB LYS 12 -19.247 -1.921 2.399 70 HG2 LYS 12 1HG LYS 12 -21.509 -2.440 2.636 71 HG3 LYS 12 2HG LYS 12 -21.929 -0.795 3.120 72 HD2 LYS 12 1HD LYS 12 -22.656 -0.777 0.947 73 HD3 LYS 12 2HD LYS 12 -20.998 -0.214 0.723 74 HE2 LYS 12 1HE LYS 12 -20.292 -2.237 -0.145 75 HE3 LYS 12 2HE LYS 12 -21.599 -3.139 0.620 76 HZ1 LYS 12 1HZ LYS 12 -22.573 -1.200 -1.236 77 HZ2 LYS 12 2HZ LYS 12 -22.887 -2.860 -1.152 78 HZ3 LYS 12 3HZ LYS 12 -21.521 -2.298 -1.977 79 H GLU 13 H GLU 13 -18.797 -3.393 4.750 80 HA GLU 13 HA GLU 13 -16.124 -2.658 5.628 81 HB2 GLU 13 1HB GLU 13 -17.497 -5.349 5.491 82 HB3 GLU 13 2HB GLU 13 -15.900 -5.065 6.170 83 HG2 GLU 13 1HG GLU 13 -16.849 -3.650 7.890 84 HG3 GLU 13 2HG GLU 13 -18.454 -3.839 7.186 85 H LEU 14 H LEU 14 -14.691 -2.277 4.065 86 HA LEU 14 HA LEU 14 -14.776 -3.860 1.606 87 HB2 LEU 14 1HB LEU 14 -12.991 -1.515 2.207 88 HB3 LEU 14 2HB LEU 14 -13.375 -2.206 0.632 89 HG LEU 14 HG LEU 14 -15.442 -0.868 2.362 90 HD11 LEU 14 1HD1 LEU 14 -14.789 0.816 0.231 91 HD12 LEU 14 2HD1 LEU 14 -13.250 0.337 0.946 92 HD13 LEU 14 3HD1 LEU 14 -14.490 1.091 1.947 93 HD21 LEU 14 1HD2 LEU 14 -15.320 -1.983 -0.384 94 HD22 LEU 14 2HD2 LEU 14 -16.276 -0.522 -0.135 95 HD23 LEU 14 3HD2 LEU 14 -16.642 -1.983 0.784 96 H THR 15 H THR 15 -13.180 -5.229 0.985 97 HA THR 15 HA THR 15 -11.203 -5.930 3.016 98 HB THR 15 HB THR 15 -11.855 -7.377 0.442 99 HG1 THR 15 1HG THR 15 -13.656 -7.634 1.629 100 HG21 THR 15 1HG2 THR 15 -10.739 -8.826 2.746 101 HG22 THR 15 2HG2 THR 15 -9.643 -7.666 1.995 102 HG23 THR 15 3HG2 THR 15 -10.356 -8.957 1.030 103 H VAL 16 H VAL 16 -9.674 -4.293 2.778 104 HA VAL 16 HA VAL 16 -8.428 -3.910 0.169 105 HB VAL 16 HB VAL 16 -7.882 -2.543 2.808 106 HG11 VAL 16 1HG1 VAL 16 -6.497 -1.015 1.618 107 HG12 VAL 16 2HG1 VAL 16 -5.955 -2.642 1.201 108 HG13 VAL 16 3HG1 VAL 16 -6.945 -1.723 0.066 109 HG21 VAL 16 1HG2 VAL 16 -9.555 -1.152 2.351 110 HG22 VAL 16 2HG2 VAL 16 -8.956 -0.880 0.715 111 HG23 VAL 16 3HG2 VAL 16 -10.029 -2.240 1.047 112 H SER 17 H SER 17 -6.898 -5.300 -0.410 113 HA SER 17 HA SER 17 -4.901 -6.097 1.601 114 HB2 SER 17 1HB SER 17 -6.503 -7.957 1.080 115 HB3 SER 17 2HB SER 17 -5.946 -7.900 -0.593 116 HG SER 17 HG SER 17 -4.616 -8.776 1.705 117 H ALA 18 H ALA 18 -2.840 -5.809 1.015 118 HA ALA 18 HA ALA 18 -2.261 -4.562 -1.509 119 HB1 ALA 18 1HB ALA 18 0.176 -4.992 -0.408 120 HB2 ALA 18 2HB ALA 18 -0.854 -3.608 -0.040 121 HB3 ALA 18 3HB ALA 18 -0.849 -5.012 1.027 122 H GLY 19 H GLY 19 -1.528 -7.670 0.029 123 HA2 GLY 19 1HA GLY 19 -1.647 -9.403 -1.954 124 HA3 GLY 19 2HA GLY 19 -0.159 -8.576 -2.390 125 H ASP 20 H ASP 20 1.578 -8.563 -0.756 126 HA ASP 20 HA ASP 20 1.558 -10.259 1.488 127 HB2 ASP 20 1HB ASP 20 1.384 -11.954 -0.400 128 HB3 ASP 20 2HB ASP 20 3.015 -11.473 -0.859 129 H ASN 21 H ASN 21 3.769 -10.610 2.370 130 HA ASN 21 HA ASN 21 5.231 -8.258 2.445 131 HB2 ASN 21 1HB ASN 21 7.044 -9.653 3.486 132 HB3 ASN 21 2HB ASN 21 5.456 -9.862 4.218 133 HD21 ASN 21 1HD2 ASN 21 6.458 -11.847 5.019 134 HD22 ASN 21 2HD2 ASN 21 6.419 -13.255 4.019 135 H LEU 22 H LEU 22 6.921 -7.428 1.336 136 HA LEU 22 HA LEU 22 7.907 -8.991 -0.959 137 HB2 LEU 22 1HB LEU 22 7.788 -5.991 -0.720 138 HB3 LEU 22 2HB LEU 22 8.227 -6.926 -2.148 139 HG LEU 22 HG LEU 22 6.074 -6.226 -2.627 140 HD11 LEU 22 1HD1 LEU 22 4.651 -8.185 -2.509 141 HD12 LEU 22 2HD1 LEU 22 5.675 -8.880 -1.254 142 HD13 LEU 22 3HD1 LEU 22 6.309 -8.656 -2.884 143 HD21 LEU 22 1HD2 LEU 22 4.221 -6.256 -1.013 144 HD22 LEU 22 2HD2 LEU 22 5.554 -5.234 -0.476 145 HD23 LEU 22 3HD2 LEU 22 5.329 -6.834 0.232 146 H ILE 23 H ILE 23 10.068 -9.189 -1.271 147 HA ILE 23 HA ILE 23 11.845 -7.763 0.597 148 HB ILE 23 HB ILE 23 12.090 -10.650 -0.258 149 HG12 ILE 23 1HG1 ILE 23 11.683 -9.536 2.519 150 HG13 ILE 23 2HG1 ILE 23 10.354 -10.073 1.498 151 HG21 ILE 23 1HG2 ILE 23 13.899 -8.865 1.345 152 HG22 ILE 23 2HG2 ILE 23 13.978 -10.624 1.433 153 HG23 ILE 23 3HG2 ILE 23 14.284 -9.804 -0.098 154 HD11 ILE 23 1HD1 ILE 23 11.571 -12.301 1.371 155 HD12 ILE 23 2HD1 ILE 23 12.559 -11.701 2.704 156 HD13 ILE 23 3HD1 ILE 23 10.816 -11.875 2.907 157 H ILE 24 H ILE 24 13.446 -6.684 -0.348 158 HA ILE 24 HA ILE 24 14.161 -7.393 -3.119 159 HB ILE 24 HB ILE 24 14.969 -4.855 -3.038 160 HG12 ILE 24 1HG1 ILE 24 12.661 -5.000 -1.090 161 HG13 ILE 24 2HG1 ILE 24 14.284 -4.401 -0.768 162 HG21 ILE 24 1HG2 ILE 24 13.033 -4.282 -4.287 163 HG22 ILE 24 2HG2 ILE 24 13.362 -5.984 -4.605 164 HG23 ILE 24 3HG2 ILE 24 12.072 -5.528 -3.493 165 HD11 ILE 24 1HD1 ILE 24 12.701 -2.580 -1.010 166 HD12 ILE 24 2HD1 ILE 24 13.901 -2.545 -2.303 167 HD13 ILE 24 3HD1 ILE 24 12.275 -3.148 -2.624 168 H THR 25 H THR 25 16.383 -6.727 -3.750 169 HA THR 25 HA THR 25 18.266 -6.803 -1.491 170 HB THR 25 HB THR 25 18.651 -8.368 -4.047 171 HG1 THR 25 1HG THR 25 17.265 -8.968 -1.765 172 HG21 THR 25 1HG2 THR 25 20.617 -7.506 -2.544 173 HG22 THR 25 2HG2 THR 25 20.623 -9.164 -3.147 174 HG23 THR 25 3HG2 THR 25 20.123 -8.830 -1.489 175 H LEU 26 H LEU 26 19.706 -5.213 -1.568 176 HA LEU 26 HA LEU 26 19.780 -3.204 -3.437 177 HB2 LEU 26 1HB LEU 26 21.808 -4.217 -1.486 178 HB3 LEU 26 2HB LEU 26 22.213 -2.898 -2.582 179 HG LEU 26 HG LEU 26 19.969 -2.867 -0.565 180 HD11 LEU 26 1HD1 LEU 26 22.793 -2.330 -0.326 181 HD12 LEU 26 2HD1 LEU 26 21.547 -2.385 0.920 182 HD13 LEU 26 3HD1 LEU 26 21.835 -0.892 0.027 183 HD21 LEU 26 1HD2 LEU 26 19.427 -1.486 -2.453 184 HD22 LEU 26 2HD2 LEU 26 21.034 -0.760 -2.440 185 HD23 LEU 26 3HD2 LEU 26 19.913 -0.446 -1.114 186 HA PRO 27 HA PRO 27 21.608 -1.741 -4.081 187 HB2 PRO 27 1HB PRO 27 21.553 -0.596 -6.542 188 HB3 PRO 27 2HB PRO 27 23.051 -1.095 -5.748 189 HG2 PRO 27 1HG PRO 27 21.461 -2.511 -7.852 190 HG3 PRO 27 2HG PRO 27 23.218 -2.307 -7.726 191 HD2 PRO 27 1HD PRO 27 21.961 -4.593 -7.002 192 HD3 PRO 27 2HD PRO 27 23.432 -4.016 -6.194 193 H ASP 28 H ASP 28 19.586 -3.577 -6.209 194 HA ASP 28 HA ASP 28 17.555 -1.896 -6.904 195 HB2 ASP 28 1HB ASP 28 17.626 -4.781 -6.135 196 HB3 ASP 28 2HB ASP 28 16.057 -4.010 -6.351 197 H ASN 29 H ASN 29 16.906 -0.300 -5.559 198 HA ASN 29 HA ASN 29 15.788 -1.113 -2.956 199 HB2 ASN 29 1HB ASN 29 16.228 1.315 -2.299 200 HB3 ASN 29 2HB ASN 29 17.640 0.277 -2.466 201 HD21 ASN 29 1HD2 ASN 29 18.777 2.316 -2.670 202 HD22 ASN 29 2HD2 ASN 29 18.861 3.082 -4.216 203 H GLU 30 H GLU 30 14.506 -0.977 -5.625 204 HA GLU 30 HA GLU 30 12.436 1.025 -4.998 205 HB2 GLU 30 1HB GLU 30 13.080 -0.018 -7.755 206 HB3 GLU 30 2HB GLU 30 12.024 1.323 -7.337 207 HG2 GLU 30 1HG GLU 30 13.970 2.571 -6.504 208 HG3 GLU 30 2HG GLU 30 15.012 1.237 -6.994 209 H VAL 31 H VAL 31 10.343 0.375 -4.952 210 HA VAL 31 HA VAL 31 9.652 -2.302 -5.898 211 HB VAL 31 HB VAL 31 10.111 -2.877 -3.675 212 HG11 VAL 31 1HG1 VAL 31 9.028 -1.467 -1.785 213 HG12 VAL 31 2HG1 VAL 31 10.511 -0.892 -2.550 214 HG13 VAL 31 3HG1 VAL 31 8.955 -0.200 -3.009 215 HG21 VAL 31 1HG2 VAL 31 7.934 -3.357 -2.677 216 HG22 VAL 31 2HG2 VAL 31 7.173 -2.190 -3.759 217 HG23 VAL 31 3HG2 VAL 31 7.912 -3.650 -4.416 218 H GLU 32 H GLU 32 7.525 -2.540 -6.506 219 HA GLU 32 HA GLU 32 5.867 -0.109 -6.342 220 HB2 GLU 32 1HB GLU 32 6.502 -0.440 -8.622 221 HB3 GLU 32 2HB GLU 32 6.115 -2.153 -8.546 222 HG2 GLU 32 1HG GLU 32 3.840 -1.783 -8.647 223 HG3 GLU 32 2HG GLU 32 3.981 -0.123 -8.071 224 H LEU 33 H LEU 33 4.523 -0.525 -4.674 225 HA LEU 33 HA LEU 33 3.328 -3.147 -4.347 226 HB2 LEU 33 1HB LEU 33 2.750 -0.644 -2.780 227 HB3 LEU 33 2HB LEU 33 2.417 -2.309 -2.307 228 HG LEU 33 HG LEU 33 5.247 -1.504 -2.773 229 HD11 LEU 33 1HD1 LEU 33 4.654 0.312 -1.425 230 HD12 LEU 33 2HD1 LEU 33 5.292 -0.884 -0.298 231 HD13 LEU 33 3HD1 LEU 33 3.550 -0.657 -0.448 232 HD21 LEU 33 1HD2 LEU 33 3.732 -3.619 -1.418 233 HD22 LEU 33 2HD2 LEU 33 5.118 -3.009 -0.513 234 HD23 LEU 33 3HD2 LEU 33 5.341 -3.655 -2.140 235 H LYS 34 H LYS 34 0.971 -3.361 -4.046 236 HA LYS 34 HA LYS 34 -0.629 -1.400 -5.513 237 HB2 LYS 34 1HB LYS 34 0.188 -3.283 -7.044 238 HB3 LYS 34 2HB LYS 34 -0.868 -4.343 -6.119 239 HG2 LYS 34 1HG LYS 34 -2.786 -2.926 -6.726 240 HG3 LYS 34 2HG LYS 34 -1.710 -1.926 -7.706 241 HD2 LYS 34 1HD LYS 34 -1.175 -3.854 -9.102 242 HD3 LYS 34 2HD LYS 34 -2.215 -4.876 -8.107 243 HE2 LYS 34 1HE LYS 34 -3.526 -4.330 -9.971 244 HE3 LYS 34 2HE LYS 34 -4.088 -3.247 -8.699 245 HZ1 LYS 34 1HZ LYS 34 -3.588 -2.322 -11.048 246 HZ2 LYS 34 2HZ LYS 34 -1.975 -2.351 -10.538 247 HZ3 LYS 34 3HZ LYS 34 -3.114 -1.434 -9.687 248 H ALA 35 H ALA 35 -2.835 -1.408 -4.995 249 HA ALA 35 HA ALA 35 -3.482 -2.903 -2.542 250 HB1 ALA 35 1HB ALA 35 -5.331 -0.780 -3.056 251 HB2 ALA 35 2HB ALA 35 -4.234 -0.997 -1.692 252 HB3 ALA 35 3HB ALA 35 -3.681 -0.163 -3.144 253 H PHE 36 H PHE 36 -5.449 -3.964 -2.345 254 HA PHE 36 HA PHE 36 -7.103 -4.144 -4.767 255 HB2 PHE 36 1HB PHE 36 -5.925 -6.413 -3.173 256 HB3 PHE 36 2HB PHE 36 -7.347 -6.632 -4.188 257 HD1 PHE 36 2HD PHE 36 -3.766 -5.760 -4.201 258 HD2 PHE 36 1HD PHE 36 -7.166 -6.808 -6.538 259 HE1 PHE 36 2HE PHE 36 -2.312 -6.104 -6.156 260 HE2 PHE 36 1HE PHE 36 -5.717 -7.155 -8.496 261 HZ PHE 36 HZ PHE 36 -3.287 -6.802 -8.307 262 H VAL 37 H VAL 37 -9.006 -3.332 -4.179 263 HA VAL 37 HA VAL 37 -10.123 -4.139 -1.572 264 HB VAL 37 HB VAL 37 -9.685 -1.739 -1.643 265 HG11 VAL 37 1HG1 VAL 37 -10.301 -1.892 -4.296 266 HG12 VAL 37 2HG1 VAL 37 -11.741 -1.117 -3.633 267 HG13 VAL 37 3HG1 VAL 37 -10.152 -0.395 -3.376 268 HG21 VAL 37 1HG2 VAL 37 -12.655 -2.127 -1.898 269 HG22 VAL 37 2HG2 VAL 37 -11.738 -2.735 -0.520 270 HG23 VAL 37 3HG2 VAL 37 -11.781 -1.005 -0.855 271 H ALA 38 H ALA 38 -11.899 -5.342 -1.635 272 HA ALA 38 HA ALA 38 -13.564 -5.268 -4.067 273 HB1 ALA 38 1HB ALA 38 -12.456 -7.582 -2.568 274 HB2 ALA 38 2HB ALA 38 -14.060 -7.742 -3.284 275 HB3 ALA 38 3HB ALA 38 -12.674 -7.356 -4.304 276 HA PRO 39 HA PRO 39 -15.456 -6.374 -4.686 277 HB2 PRO 39 1HB PRO 39 -17.685 -4.997 -5.396 278 HB3 PRO 39 2HB PRO 39 -17.744 -6.561 -4.575 279 HG2 PRO 39 1HG PRO 39 -18.045 -3.810 -3.433 280 HG3 PRO 39 2HG PRO 39 -18.982 -5.274 -3.085 281 HD2 PRO 39 1HD PRO 39 -17.010 -4.385 -1.456 282 HD3 PRO 39 2HD PRO 39 -17.380 -6.110 -1.653 283 H ALA 40 H ALA 40 -15.026 -5.315 -6.654 284 HA ALA 40 HA ALA 40 -13.579 -2.876 -6.417 285 HB1 ALA 40 1HB ALA 40 -12.625 -3.973 -8.123 286 HB2 ALA 40 2HB ALA 40 -14.101 -4.860 -8.507 287 HB3 ALA 40 3HB ALA 40 -13.881 -3.214 -9.101 288 HA PRO 41 HA PRO 41 -16.794 0.062 -7.072 289 HB2 PRO 41 1HB PRO 41 -15.293 2.133 -7.982 290 HB3 PRO 41 2HB PRO 41 -15.311 1.632 -6.287 291 HG2 PRO 41 1HG PRO 41 -13.313 1.004 -8.427 292 HG3 PRO 41 2HG PRO 41 -13.036 1.461 -6.736 293 HD2 PRO 41 1HD PRO 41 -12.900 -1.104 -7.593 294 HD3 PRO 41 2HD PRO 41 -13.448 -0.670 -5.961 295 HA PRO 42 HA PRO 42 -17.988 -0.008 -11.306 296 HB2 PRO 42 1HB PRO 42 -19.420 2.292 -11.487 297 HB3 PRO 42 2HB PRO 42 -20.005 0.861 -10.629 298 HG2 PRO 42 1HG PRO 42 -18.721 3.334 -9.534 299 HG3 PRO 42 2HG PRO 42 -20.120 2.434 -8.920 300 HD2 PRO 42 1HD PRO 42 -17.643 2.178 -7.856 301 HD3 PRO 42 2HD PRO 42 -18.806 0.837 -7.902 302 H VAL 43 H VAL 43 -18.328 1.878 -13.149 303 HA VAL 43 HA VAL 43 -15.631 2.722 -13.729 304 HB VAL 43 HB VAL 43 -16.900 1.815 -15.553 305 HG11 VAL 43 1HG1 VAL 43 -18.846 3.684 -16.199 306 HG12 VAL 43 2HG1 VAL 43 -19.112 2.073 -15.529 307 HG13 VAL 43 3HG1 VAL 43 -19.007 3.469 -14.456 308 HG21 VAL 43 1HG2 VAL 43 -15.454 4.073 -15.717 309 HG22 VAL 43 2HG2 VAL 43 -16.180 3.284 -17.117 310 HG23 VAL 43 3HG2 VAL 43 -16.991 4.654 -16.358 311 H GLU 44 H GLU 44 -18.374 4.108 -12.276 312 HA GLU 44 HA GLU 44 -17.533 6.841 -12.896 313 HB2 GLU 44 1HB GLU 44 -20.012 5.639 -11.710 314 HB3 GLU 44 2HB GLU 44 -19.655 7.343 -11.469 315 HG2 GLU 44 1HG GLU 44 -19.720 6.112 -14.200 316 HG3 GLU 44 2HG GLU 44 -21.175 6.716 -13.409 317 H THR 45 H THR 45 -18.686 5.212 -9.941 318 HA THR 45 HA THR 45 -17.248 7.008 -8.245 319 HB THR 45 HB THR 45 -18.530 4.373 -7.498 320 HG1 THR 45 1HG THR 45 -20.367 5.612 -7.068 321 HG21 THR 45 1HG2 THR 45 -18.489 5.114 -5.269 322 HG22 THR 45 2HG2 THR 45 -18.121 6.774 -5.736 323 HG23 THR 45 3HG2 THR 45 -16.892 5.520 -5.896 324 H THR 46 H THR 46 -15.454 6.601 -6.953 325 HA THR 46 HA THR 46 -14.045 4.079 -7.188 326 HB THR 46 HB THR 46 -13.247 5.284 -9.172 327 HG1 THR 46 1HG THR 46 -11.811 3.994 -7.683 328 HG21 THR 46 1HG2 THR 46 -13.510 7.553 -7.702 329 HG22 THR 46 2HG2 THR 46 -12.570 7.436 -9.190 330 HG23 THR 46 3HG2 THR 46 -11.767 7.302 -7.626 331 H TYR 47 H TYR 47 -12.497 3.759 -5.579 332 HA TYR 47 HA TYR 47 -12.816 5.476 -3.265 333 HB2 TYR 47 1HB TYR 47 -11.122 2.986 -3.476 334 HB3 TYR 47 2HB TYR 47 -11.755 3.735 -2.015 335 HD1 TYR 47 2HD TYR 47 -14.565 4.211 -2.759 336 HD2 TYR 47 1HD TYR 47 -12.061 0.855 -3.514 337 HE1 TYR 47 2HE TYR 47 -16.550 2.763 -2.873 338 HE2 TYR 47 1HE TYR 47 -14.039 -0.602 -3.631 339 HH TYR 47 HH TYR 47 -16.633 -0.139 -4.223 340 H ASN 48 H ASN 48 -10.911 6.113 -1.974 341 HA ASN 48 HA ASN 48 -8.804 7.122 -3.744 342 HB2 ASN 48 1HB ASN 48 -9.825 8.885 -2.523 343 HB3 ASN 48 2HB ASN 48 -9.772 7.973 -1.017 344 HD21 ASN 48 1HD2 ASN 48 -7.946 7.986 0.204 345 HD22 ASN 48 2HD2 ASN 48 -6.567 8.966 -0.148 346 H TYR 49 H TYR 49 -6.650 6.737 -3.392 347 HA TYR 49 HA TYR 49 -6.038 4.644 -1.414 348 HB2 TYR 49 1HB TYR 49 -4.487 5.309 -3.922 349 HB3 TYR 49 2HB TYR 49 -4.238 3.929 -2.858 350 HD1 TYR 49 1HD TYR 49 -6.044 2.167 -2.719 351 HD2 TYR 49 2HD TYR 49 -6.036 5.208 -5.695 352 HE1 TYR 49 1HE TYR 49 -7.598 0.831 -4.080 353 HE2 TYR 49 2HE TYR 49 -7.591 3.881 -7.063 354 HH TYR 49 HH TYR 49 -9.453 1.659 -6.099 355 H GLU 50 H GLU 50 -5.166 5.519 0.349 356 HA GLU 50 HA GLU 50 -3.081 7.571 -0.008 357 HB2 GLU 50 1HB GLU 50 -5.094 8.513 1.033 358 HB3 GLU 50 2HB GLU 50 -5.023 7.287 2.291 359 HG2 GLU 50 1HG GLU 50 -2.999 8.192 3.164 360 HG3 GLU 50 2HG GLU 50 -2.840 9.294 1.797 361 H TRP 51 H TRP 51 -1.207 6.520 0.230 362 HA TRP 51 HA TRP 51 -0.953 4.369 2.169 363 HB2 TRP 51 1HB TRP 51 0.954 5.506 0.119 364 HB3 TRP 51 2HB TRP 51 1.385 4.212 1.233 365 HD1 TRP 51 HD TRP 51 -0.848 4.919 -1.806 366 HE1 TRP 51 1HE TRP 51 -1.518 2.671 -2.866 367 HE3 TRP 51 3HE TRP 51 1.067 1.754 1.723 368 HZ2 TRP 51 2HZ TRP 51 -1.268 -0.080 -2.284 369 HZ3 TRP 51 3HZ TRP 51 0.809 -0.671 1.397 370 HH2 TRP 51 HH TRP 51 -0.335 -1.567 -0.565 371 H ASN 52 H ASN 52 0.726 4.336 3.778 372 HA ASN 52 HA ASN 52 2.104 6.761 4.466 373 HB2 ASN 52 1HB ASN 52 -0.350 5.906 5.953 374 HB3 ASN 52 2HB ASN 52 0.975 6.651 6.842 375 HD21 ASN 52 1HD2 ASN 52 -1.836 7.239 5.249 376 HD22 ASN 52 2HD2 ASN 52 -1.619 8.915 4.890 377 H LEU 53 H LEU 53 3.733 6.440 5.990 378 HA LEU 53 HA LEU 53 4.354 3.628 6.500 379 HB2 LEU 53 1HB LEU 53 5.995 5.155 5.375 380 HB3 LEU 53 2HB LEU 53 6.122 6.033 6.898 381 HG LEU 53 HG LEU 53 7.108 4.134 7.982 382 HD11 LEU 53 1HD1 LEU 53 5.996 2.271 7.128 383 HD12 LEU 53 2HD1 LEU 53 7.643 2.100 6.521 384 HD13 LEU 53 3HD1 LEU 53 6.369 2.696 5.457 385 HD21 LEU 53 1HD2 LEU 53 8.506 5.631 6.500 386 HD22 LEU 53 2HD2 LEU 53 8.437 4.349 5.292 387 HD23 LEU 53 3HD2 LEU 53 9.186 4.044 6.860 388 H ILE 54 H ILE 54 3.689 2.844 8.384 389 HA ILE 54 HA ILE 54 3.634 4.620 10.725 390 HB ILE 54 HB ILE 54 2.094 3.074 11.750 391 HG12 ILE 54 1HG1 ILE 54 3.238 1.081 10.481 392 HG13 ILE 54 2HG1 ILE 54 1.542 0.975 10.940 393 HG21 ILE 54 1HG2 ILE 54 0.295 3.065 9.853 394 HG22 ILE 54 2HG2 ILE 54 0.865 4.588 10.532 395 HG23 ILE 54 3HG2 ILE 54 1.497 4.022 8.986 396 HD11 ILE 54 1HD1 ILE 54 1.922 2.161 8.318 397 HD12 ILE 54 2HD1 ILE 54 2.572 0.526 8.441 398 HD13 ILE 54 3HD1 ILE 54 0.879 0.833 8.826 399 H SER 55 H SER 55 5.086 1.764 9.409 400 HA SER 55 HA SER 55 6.638 1.449 11.893 401 HB2 SER 55 1HB SER 55 4.888 -0.410 11.180 402 HB3 SER 55 2HB SER 55 6.197 -0.907 10.109 403 HG SER 55 HG SER 55 6.830 -0.387 12.775 404 H HIS 56 H HIS 56 8.693 1.947 11.576 405 HA HIS 56 HA HIS 56 10.270 0.826 9.519 406 HB2 HIS 56 1HB HIS 56 10.814 2.826 8.236 407 HB3 HIS 56 2HB HIS 56 9.085 2.502 8.144 408 HD1 HIS 56 1HD HIS 56 11.405 5.167 8.754 409 HD2 HIS 56 2HD HIS 56 7.599 4.199 10.109 410 HE1 HIS 56 1HE HIS 56 10.461 7.302 9.686 411 HE2 HIS 56 2HE HIS 56 8.191 6.673 10.578 412 HA PRO 57 HA PRO 57 13.420 1.865 12.395 413 HB2 PRO 57 1HB PRO 57 15.598 1.909 10.775 414 HB3 PRO 57 2HB PRO 57 14.778 0.414 11.241 415 HG2 PRO 57 1HG PRO 57 14.539 1.998 8.711 416 HG3 PRO 57 2HG PRO 57 14.654 0.241 8.925 417 HD2 PRO 57 1HD PRO 57 12.302 1.503 8.468 418 HD3 PRO 57 2HD PRO 57 12.421 0.034 9.458 419 H THR 58 H THR 58 14.007 3.722 13.319 420 HA THR 58 HA THR 58 13.518 6.233 12.340 421 HB THR 58 HB THR 58 14.249 5.467 14.725 422 HG1 THR 58 1HG THR 58 14.836 7.952 13.487 423 HG21 THR 58 1HG2 THR 58 16.520 5.799 15.307 424 HG22 THR 58 2HG2 THR 58 16.897 6.507 13.737 425 HG23 THR 58 3HG2 THR 58 16.540 4.785 13.864 426 H ASP 59 H ASP 59 16.204 4.167 11.641 427 HA ASP 59 HA ASP 59 18.025 6.132 10.725 428 HB2 ASP 59 1HB ASP 59 18.897 3.976 11.238 429 HB3 ASP 59 2HB ASP 59 17.754 3.181 10.158 430 H TYR 60 H TYR 60 15.408 4.365 9.189 431 HA TYR 60 HA TYR 60 15.800 4.632 6.543 432 HB2 TYR 60 1HB TYR 60 13.741 3.710 7.443 433 HB3 TYR 60 2HB TYR 60 13.249 5.295 8.028 434 HD1 TYR 60 1HD TYR 60 14.573 4.088 4.744 435 HD2 TYR 60 2HD TYR 60 11.424 6.042 6.834 436 HE1 TYR 60 1HE TYR 60 13.429 4.514 2.609 437 HE2 TYR 60 2HE TYR 60 10.270 6.472 4.705 438 HH TYR 60 HH TYR 60 10.386 5.168 2.252 439 H GLN 61 H GLN 61 15.538 6.192 4.941 440 HA GLN 61 HA GLN 61 15.287 8.975 5.849 441 HB2 GLN 61 1HB GLN 61 17.394 7.861 3.994 442 HB3 GLN 61 2HB GLN 61 17.068 9.579 4.180 443 HG2 GLN 61 1HG GLN 61 17.554 9.296 6.629 444 HG3 GLN 61 2HG GLN 61 18.120 7.671 6.246 445 HE21 GLN 61 1HE2 GLN 61 19.700 9.687 7.402 446 HE22 GLN 61 2HE2 GLN 61 20.961 10.087 6.291 447 H GLY 62 H GLY 62 15.021 6.632 3.242 448 HA2 GLY 62 1HA GLY 62 14.244 8.039 1.077 449 HA3 GLY 62 2HA GLY 62 13.441 6.549 1.549 450 H GLU 63 H GLU 63 12.163 8.634 0.170 451 HA GLU 63 HA GLU 63 10.246 9.537 2.216 452 HB2 GLU 63 1HB GLU 63 9.866 11.569 0.935 453 HB3 GLU 63 2HB GLU 63 11.567 11.429 1.356 454 HG2 GLU 63 1HG GLU 63 12.001 10.537 -0.917 455 HG3 GLU 63 2HG GLU 63 10.313 10.850 -1.316 456 H ILE 64 H ILE 64 8.191 8.965 1.892 457 HA ILE 64 HA ILE 64 7.519 7.643 -0.639 458 HB ILE 64 HB ILE 64 5.917 7.586 1.915 459 HG12 ILE 64 1HG1 ILE 64 7.777 5.407 0.985 460 HG13 ILE 64 2HG1 ILE 64 8.322 6.684 2.067 461 HG21 ILE 64 1HG2 ILE 64 5.922 5.566 -0.303 462 HG22 ILE 64 2HG2 ILE 64 4.716 5.819 0.958 463 HG23 ILE 64 3HG2 ILE 64 4.887 6.993 -0.347 464 HD11 ILE 64 1HD1 ILE 64 6.016 4.839 2.638 465 HD12 ILE 64 2HD1 ILE 64 7.663 4.607 3.226 466 HD13 ILE 64 3HD1 ILE 64 6.735 6.018 3.735 467 H LYS 65 H LYS 65 5.625 8.138 -1.770 468 HA LYS 65 HA LYS 65 4.644 10.862 -1.307 469 HB2 LYS 65 1HB LYS 65 4.877 9.098 -3.703 470 HB3 LYS 65 2HB LYS 65 3.604 10.312 -3.686 471 HG2 LYS 65 1HG LYS 65 5.664 11.844 -2.941 472 HG3 LYS 65 2HG LYS 65 6.532 10.632 -3.886 473 HD2 LYS 65 1HD LYS 65 6.012 12.079 -5.565 474 HD3 LYS 65 2HD LYS 65 4.542 11.101 -5.587 475 HE2 LYS 65 1HE LYS 65 3.769 13.308 -5.609 476 HE3 LYS 65 2HE LYS 65 3.604 12.807 -3.927 477 HZ1 LYS 65 1HZ LYS 65 4.935 15.021 -4.861 478 HZ2 LYS 65 2HZ LYS 65 6.163 13.946 -4.417 479 HZ3 LYS 65 3HZ LYS 65 4.988 14.400 -3.288 480 H GLN 66 H GLN 66 3.754 8.443 0.181 481 HA GLN 66 HA GLN 66 1.841 7.412 0.881 482 HB2 GLN 66 1HB GLN 66 0.737 10.109 0.080 483 HB3 GLN 66 2HB GLN 66 -0.129 8.929 1.055 484 HG2 GLN 66 1HG GLN 66 1.286 9.204 2.874 485 HG3 GLN 66 2HG GLN 66 2.561 9.929 1.895 486 HE21 GLN 66 1HE2 GLN 66 2.836 11.949 2.493 487 HE22 GLN 66 2HE2 GLN 66 1.586 13.097 2.818 488 H GLY 67 H GLY 67 2.556 7.150 -1.992 489 HA2 GLY 67 1HA GLY 67 1.565 6.607 -4.036 490 HA3 GLY 67 2HA GLY 67 0.779 5.442 -2.981 491 H HIS 68 H HIS 68 0.470 8.668 -4.387 492 HA HIS 68 HA HIS 68 -2.137 9.229 -3.558 493 HB2 HIS 68 1HB HIS 68 -0.608 10.080 -6.018 494 HB3 HIS 68 2HB HIS 68 -2.203 10.709 -5.617 495 HD1 HIS 68 1HD HIS 68 -1.902 11.230 -2.636 496 HD2 HIS 68 2HD HIS 68 1.028 12.161 -5.431 497 HE1 HIS 68 1HE HIS 68 -0.507 13.032 -1.573 498 HE2 HIS 68 2HE HIS 68 1.207 13.639 -3.316 499 H LYS 69 H LYS 69 -1.051 6.799 -5.605 500 HA LYS 69 HA LYS 69 -3.724 6.510 -6.814 501 HB2 LYS 69 1HB LYS 69 -0.986 5.971 -7.874 502 HB3 LYS 69 2HB LYS 69 -2.308 4.945 -8.415 503 HG2 LYS 69 1HG LYS 69 -3.328 6.626 -9.572 504 HG3 LYS 69 2HG LYS 69 -2.684 7.890 -8.520 505 HD2 LYS 69 1HD LYS 69 -0.828 6.300 -10.242 506 HD3 LYS 69 2HD LYS 69 -1.767 7.616 -10.949 507 HE2 LYS 69 1HE LYS 69 -0.853 9.141 -9.234 508 HE3 LYS 69 2HE LYS 69 0.135 7.818 -8.615 509 HZ1 LYS 69 1HZ LYS 69 0.970 9.562 -10.447 510 HZ2 LYS 69 2HZ LYS 69 0.382 8.340 -11.457 511 HZ3 LYS 69 3HZ LYS 69 1.577 7.988 -10.312 512 H GLN 70 H GLN 70 -3.780 3.979 -7.608 513 HA GLN 70 HA GLN 70 -4.214 2.527 -5.230 514 HB2 GLN 70 1HB GLN 70 -5.509 2.020 -7.192 515 HB3 GLN 70 2HB GLN 70 -4.059 1.636 -8.110 516 HG2 GLN 70 1HG GLN 70 -3.714 -0.178 -6.274 517 HG3 GLN 70 2HG GLN 70 -5.441 0.050 -6.000 518 HE21 GLN 70 1HE2 GLN 70 -6.011 -1.972 -6.720 519 HE22 GLN 70 2HE2 GLN 70 -5.913 -2.442 -8.379 520 H THR 71 H THR 71 -1.470 2.830 -7.332 521 HA THR 71 HA THR 71 -0.088 0.666 -5.899 522 HB THR 71 HB THR 71 1.677 1.183 -7.796 523 HG1 THR 71 1HG THR 71 0.644 1.891 -9.697 524 HG21 THR 71 1HG2 THR 71 0.970 -0.735 -8.803 525 HG22 THR 71 2HG2 THR 71 -0.714 -0.214 -8.858 526 HG23 THR 71 3HG2 THR 71 -0.029 -0.825 -7.353 527 H LEU 72 H LEU 72 1.945 1.011 -4.973 528 HA LEU 72 HA LEU 72 2.699 3.838 -4.616 529 HB2 LEU 72 1HB LEU 72 1.656 2.396 -2.649 530 HB3 LEU 72 2HB LEU 72 3.323 1.842 -2.504 531 HG LEU 72 HG LEU 72 2.128 4.480 -1.864 532 HD11 LEU 72 1HD1 LEU 72 3.399 4.297 0.077 533 HD12 LEU 72 2HD1 LEU 72 4.538 3.170 -0.658 534 HD13 LEU 72 3HD1 LEU 72 2.907 2.636 -0.253 535 HD21 LEU 72 1HD2 LEU 72 4.792 4.100 -3.168 536 HD22 LEU 72 2HD2 LEU 72 4.571 5.358 -1.951 537 HD23 LEU 72 3HD2 LEU 72 3.591 5.367 -3.418 538 H ASN 73 H ASN 73 4.636 4.278 -5.412 539 HA ASN 73 HA ASN 73 6.590 2.094 -5.665 540 HB2 ASN 73 1HB ASN 73 6.970 4.671 -7.110 541 HB3 ASN 73 2HB ASN 73 7.360 3.030 -7.616 542 HD21 ASN 73 1HD2 ASN 73 5.200 1.640 -7.661 543 HD22 ASN 73 2HD2 ASN 73 3.949 2.350 -8.618 544 H LEU 74 H LEU 74 8.520 2.213 -4.671 545 HA LEU 74 HA LEU 74 9.144 4.698 -3.214 546 HB2 LEU 74 1HB LEU 74 9.253 1.843 -2.421 547 HB3 LEU 74 2HB LEU 74 10.526 2.900 -1.815 548 HG LEU 74 HG LEU 74 8.548 4.392 -1.022 549 HD11 LEU 74 1HD1 LEU 74 7.138 2.229 -2.172 550 HD12 LEU 74 2HD1 LEU 74 6.492 3.621 -1.305 551 HD13 LEU 74 3HD1 LEU 74 6.903 2.149 -0.426 552 HD21 LEU 74 1HD2 LEU 74 9.303 1.777 0.273 553 HD22 LEU 74 2HD2 LEU 74 8.424 3.073 1.084 554 HD23 LEU 74 3HD2 LEU 74 10.070 3.347 0.510 555 H SER 75 H SER 75 11.425 5.140 -2.868 556 HA SER 75 HA SER 75 13.304 3.758 -4.611 557 HB2 SER 75 1HB SER 75 14.041 5.840 -5.699 558 HB3 SER 75 2HB SER 75 12.349 5.499 -6.058 559 HG SER 75 HG SER 75 12.153 6.930 -3.977 560 H GLN 76 H GLN 76 15.555 4.635 -4.312 561 HA GLN 76 HA GLN 76 17.305 4.890 -2.871 562 HB2 GLN 76 1HB GLN 76 15.490 7.194 -2.296 563 HB3 GLN 76 2HB GLN 76 16.914 6.960 -1.290 564 HG2 GLN 76 1HG GLN 76 18.143 6.802 -3.593 565 HG3 GLN 76 2HG GLN 76 16.724 7.672 -4.173 566 HE21 GLN 76 1HE2 GLN 76 17.627 9.613 -4.580 567 HE22 GLN 76 2HE2 GLN 76 18.355 10.620 -3.380 568 H LEU 77 H LEU 77 15.211 3.045 -2.042 569 HA LEU 77 HA LEU 77 14.736 3.325 0.749 570 HB2 LEU 77 1HB LEU 77 14.464 1.095 -1.225 571 HB3 LEU 77 2HB LEU 77 14.281 0.779 0.499 572 HG LEU 77 HG LEU 77 12.625 2.792 -1.014 573 HD11 LEU 77 1HD1 LEU 77 11.989 -0.072 -0.322 574 HD12 LEU 77 2HD1 LEU 77 12.212 0.592 -1.940 575 HD13 LEU 77 3HD1 LEU 77 10.841 1.106 -0.957 576 HD21 LEU 77 1HD2 LEU 77 12.942 2.105 1.764 577 HD22 LEU 77 2HD2 LEU 77 11.289 1.799 1.229 578 HD23 LEU 77 3HD2 LEU 77 11.999 3.402 1.028 579 H SER 78 H SER 78 15.688 2.234 2.484 580 HA SER 78 HA SER 78 18.418 1.264 1.953 581 HB2 SER 78 1HB SER 78 17.299 2.532 4.465 582 HB3 SER 78 2HB SER 78 18.954 1.960 4.261 583 HG SER 78 HG SER 78 19.050 4.086 3.789 584 H VAL 79 H VAL 79 19.121 -0.060 4.101 585 HA VAL 79 HA VAL 79 17.554 -2.460 3.974 586 HB VAL 79 HB VAL 79 19.950 -1.797 5.691 587 HG11 VAL 79 1HG1 VAL 79 19.194 -4.586 5.017 588 HG12 VAL 79 2HG1 VAL 79 19.999 -3.944 6.450 589 HG13 VAL 79 3HG1 VAL 79 18.255 -3.759 6.259 590 HG21 VAL 79 1HG2 VAL 79 20.983 -1.850 3.697 591 HG22 VAL 79 2HG2 VAL 79 20.789 -3.597 3.835 592 HG23 VAL 79 3HG2 VAL 79 19.628 -2.652 2.902 593 H GLY 80 H GLY 80 15.828 -2.875 5.178 594 HA2 GLY 80 1HA GLY 80 15.594 -2.933 7.873 595 HA3 GLY 80 2HA GLY 80 15.216 -1.260 7.494 596 H LEU 81 H LEU 81 13.282 -2.583 8.717 597 HA LEU 81 HA LEU 81 11.487 -3.746 6.740 598 HB2 LEU 81 1HB LEU 81 11.822 -4.684 9.065 599 HB3 LEU 81 2HB LEU 81 10.943 -3.277 9.662 600 HG LEU 81 HG LEU 81 8.973 -3.992 8.358 601 HD11 LEU 81 1HD1 LEU 81 10.896 -5.800 7.210 602 HD12 LEU 81 2HD1 LEU 81 9.262 -5.408 6.675 603 HD13 LEU 81 3HD1 LEU 81 9.517 -6.683 7.866 604 HD21 LEU 81 1HD2 LEU 81 10.156 -5.910 10.350 605 HD22 LEU 81 2HD2 LEU 81 8.513 -6.069 9.729 606 HD23 LEU 81 3HD2 LEU 81 8.979 -4.627 10.633 607 H TYR 82 H TYR 82 9.717 -2.769 5.926 608 HA TYR 82 HA TYR 82 8.904 -0.180 7.049 609 HB2 TYR 82 1HB TYR 82 9.102 -0.652 4.077 610 HB3 TYR 82 2HB TYR 82 8.842 0.872 4.917 611 HD1 TYR 82 2HD TYR 82 10.708 1.992 6.065 612 HD2 TYR 82 1HD TYR 82 11.310 -1.563 3.806 613 HE1 TYR 82 2HE TYR 82 13.128 2.429 6.033 614 HE2 TYR 82 1HE TYR 82 13.732 -1.137 3.769 615 HH TYR 82 HH TYR 82 15.193 1.196 4.002 616 H VAL 83 H VAL 83 6.823 -0.226 7.538 617 HA VAL 83 HA VAL 83 5.064 -2.078 6.076 618 HB VAL 83 HB VAL 83 4.671 -0.847 8.808 619 HG11 VAL 83 1HG1 VAL 83 3.047 -3.025 7.511 620 HG12 VAL 83 2HG1 VAL 83 2.703 -2.156 9.008 621 HG13 VAL 83 3HG1 VAL 83 2.595 -1.321 7.458 622 HG21 VAL 83 1HG2 VAL 83 4.969 -3.769 8.403 623 HG22 VAL 83 2HG2 VAL 83 6.424 -2.780 8.285 624 HG23 VAL 83 3HG2 VAL 83 5.460 -2.757 9.762 625 H PHE 84 H PHE 84 3.908 -1.114 4.547 626 HA PHE 84 HA PHE 84 3.094 1.680 4.909 627 HB2 PHE 84 1HB PHE 84 2.763 0.110 2.366 628 HB3 PHE 84 2HB PHE 84 2.908 1.852 2.574 629 HD1 PHE 84 2HD PHE 84 5.141 2.794 3.290 630 HD2 PHE 84 1HD PHE 84 4.639 -1.212 1.943 631 HE1 PHE 84 2HE PHE 84 7.555 2.648 2.835 632 HE2 PHE 84 1HE PHE 84 7.052 -1.365 1.487 633 HZ PHE 84 HZ PHE 84 8.513 0.567 1.931 634 H LYS 85 H LYS 85 1.112 2.071 5.608 635 HA LYS 85 HA LYS 85 -0.955 0.016 5.264 636 HB2 LYS 85 1HB LYS 85 -0.652 0.649 7.555 637 HB3 LYS 85 2HB LYS 85 -0.725 2.360 7.153 638 HG2 LYS 85 1HG LYS 85 -3.080 2.085 6.501 639 HG3 LYS 85 2HG LYS 85 -2.994 0.387 6.978 640 HD2 LYS 85 1HD LYS 85 -3.852 1.301 8.895 641 HD3 LYS 85 2HD LYS 85 -2.126 1.422 9.243 642 HE2 LYS 85 1HE LYS 85 -2.758 3.553 9.749 643 HE3 LYS 85 2HE LYS 85 -2.418 3.756 8.031 644 HZ1 LYS 85 1HZ LYS 85 -4.469 4.703 8.166 645 HZ2 LYS 85 2HZ LYS 85 -4.995 3.699 9.421 646 HZ3 LYS 85 3HZ LYS 85 -4.933 3.110 7.837 647 H VAL 86 H VAL 86 -2.097 0.296 3.458 648 HA VAL 86 HA VAL 86 -2.564 2.935 2.362 649 HB VAL 86 HB VAL 86 -2.166 1.360 0.684 650 HG11 VAL 86 1HG1 VAL 86 -3.907 -0.712 0.727 651 HG12 VAL 86 2HG1 VAL 86 -2.283 -0.768 1.414 652 HG13 VAL 86 3HG1 VAL 86 -3.671 -0.444 2.454 653 HG21 VAL 86 1HG2 VAL 86 -3.881 1.891 -0.646 654 HG22 VAL 86 2HG2 VAL 86 -5.038 1.011 0.352 655 HG23 VAL 86 3HG2 VAL 86 -4.590 2.664 0.772 656 H THR 87 H THR 87 -4.032 4.112 3.445 657 HA THR 87 HA THR 87 -6.427 2.882 4.528 658 HB THR 87 HB THR 87 -5.912 5.841 4.509 659 HG1 THR 87 1HG THR 87 -4.065 5.300 5.457 660 HG21 THR 87 1HG2 THR 87 -8.008 4.459 5.435 661 HG22 THR 87 2HG2 THR 87 -7.425 5.934 6.207 662 HG23 THR 87 3HG2 THR 87 -6.962 4.359 6.851 663 H VAL 88 H VAL 88 -8.099 2.518 3.230 664 HA VAL 88 HA VAL 88 -8.820 4.588 1.263 665 HB VAL 88 HB VAL 88 -8.995 1.598 0.862 666 HG11 VAL 88 1HG1 VAL 88 -10.255 3.883 -0.518 667 HG12 VAL 88 2HG1 VAL 88 -9.550 2.638 -1.551 668 HG13 VAL 88 3HG1 VAL 88 -10.789 2.209 -0.371 669 HG21 VAL 88 1HG2 VAL 88 -7.087 3.686 -0.007 670 HG22 VAL 88 2HG2 VAL 88 -6.821 1.975 0.328 671 HG23 VAL 88 3HG2 VAL 88 -7.542 2.472 -1.203 672 H SER 89 H SER 89 -10.654 5.485 1.926 673 HA SER 89 HA SER 89 -12.837 3.724 2.802 674 HB2 SER 89 1HB SER 89 -13.383 5.071 4.657 675 HB3 SER 89 2HB SER 89 -11.626 4.937 4.726 676 HG SER 89 HG SER 89 -13.160 7.117 3.761 677 H SER 90 H SER 90 -14.895 4.364 2.213 678 HA SER 90 HA SER 90 -15.025 6.660 0.370 679 HB2 SER 90 1HB SER 90 -15.294 4.377 -0.673 680 HB3 SER 90 2HB SER 90 -16.775 4.196 0.268 681 HG SER 90 HG SER 90 -17.746 5.698 -0.930 682 H GLU 91 H GLU 91 -17.361 7.450 0.093 683 HA GLU 91 HA GLU 91 -18.266 8.704 2.314 684 HB2 GLU 91 1HB GLU 91 -19.174 9.280 0.179 685 HB3 GLU 91 2HB GLU 91 -19.862 7.675 -0.030 686 HG2 GLU 91 1HG GLU 91 -21.529 8.067 1.584 687 HG3 GLU 91 2HG GLU 91 -20.719 9.514 2.181 688 H ASN 92 H ASN 92 -19.440 5.551 1.156 689 HA ASN 92 HA ASN 92 -20.492 5.057 3.864 690 HB2 ASN 92 1HB ASN 92 -22.027 3.390 2.550 691 HB3 ASN 92 2HB ASN 92 -22.434 5.103 2.596 692 HD21 ASN 92 1HD2 ASN 92 -21.121 2.519 0.657 693 HD22 ASN 92 2HD2 ASN 92 -21.314 3.303 -0.870 694 H ALA 93 H ALA 93 -17.828 4.495 3.020 695 HA ALA 93 HA ALA 93 -17.764 1.663 3.624 696 HB1 ALA 93 1HB ALA 93 -16.135 2.470 1.262 697 HB2 ALA 93 2HB ALA 93 -16.745 0.880 1.722 698 HB3 ALA 93 3HB ALA 93 -17.841 2.081 1.040 699 H PHE 94 H PHE 94 -15.620 0.914 4.210 700 HA PHE 94 HA PHE 94 -13.512 2.863 4.514 701 HB2 PHE 94 1HB PHE 94 -14.669 3.485 6.479 702 HB3 PHE 94 2HB PHE 94 -15.062 1.815 6.874 703 HD1 PHE 94 1HD PHE 94 -11.787 3.276 5.909 704 HD2 PHE 94 2HD PHE 94 -14.137 1.496 8.979 705 HE1 PHE 94 1HE PHE 94 -9.800 3.156 7.355 706 HE2 PHE 94 2HE PHE 94 -12.154 1.375 10.431 707 HZ PHE 94 HZ PHE 94 -9.983 2.206 9.620 708 H GLY 95 H GLY 95 -11.570 1.902 4.423 709 HA2 GLY 95 1HA GLY 95 -11.149 -0.776 5.412 710 HA3 GLY 95 2HA GLY 95 -11.131 -0.663 3.658 711 H GLU 96 H GLU 96 -8.962 -1.426 5.420 712 HA GLU 96 HA GLU 96 -6.983 0.477 4.441 713 HB2 GLU 96 1HB GLU 96 -6.991 -0.408 7.329 714 HB3 GLU 96 2HB GLU 96 -5.877 0.718 6.567 715 HG2 GLU 96 1HG GLU 96 -7.497 2.396 6.408 716 HG3 GLU 96 2HG GLU 96 -8.819 1.265 6.693 717 H GLY 97 H GLY 97 -5.103 -0.468 3.826 718 HA2 GLY 97 1HA GLY 97 -4.949 -3.387 4.172 719 HA3 GLY 97 2HA GLY 97 -4.194 -2.476 2.873 720 H PHE 98 H PHE 98 -2.635 -4.248 4.095 721 HA PHE 98 HA PHE 98 -0.671 -2.558 5.396 722 HB2 PHE 98 1HB PHE 98 -2.059 -4.830 6.775 723 HB3 PHE 98 2HB PHE 98 -0.381 -4.466 7.163 724 HD1 PHE 98 2HD PHE 98 -3.814 -3.127 7.176 725 HD2 PHE 98 1HD PHE 98 0.196 -2.607 8.505 726 HE1 PHE 98 2HE PHE 98 -4.560 -1.371 8.729 727 HE2 PHE 98 1HE PHE 98 -0.544 -0.851 10.061 728 HZ PHE 98 HZ PHE 98 -2.925 -0.230 10.174 729 H VAL 99 H VAL 99 1.242 -2.987 4.531 730 HA VAL 99 HA VAL 99 1.950 -5.733 3.837 731 HB VAL 99 HB VAL 99 0.983 -4.748 1.778 732 HG11 VAL 99 1HG1 VAL 99 1.931 -2.408 2.470 733 HG12 VAL 99 2HG1 VAL 99 3.342 -2.937 1.552 734 HG13 VAL 99 3HG1 VAL 99 1.765 -2.836 0.768 735 HG21 VAL 99 1HG2 VAL 99 3.691 -4.894 0.839 736 HG22 VAL 99 2HG2 VAL 99 3.419 -6.105 2.092 737 HG23 VAL 99 3HG2 VAL 99 2.385 -6.066 0.664 738 H ASN 100 H ASN 100 3.929 -6.163 4.545 739 HA ASN 100 HA ASN 100 5.711 -3.924 5.184 740 HB2 ASN 100 1HB ASN 100 6.974 -5.876 6.394 741 HB3 ASN 100 2HB ASN 100 5.518 -5.194 7.114 742 HD21 ASN 100 1HD2 ASN 100 5.697 -7.354 8.206 743 HD22 ASN 100 2HD2 ASN 100 4.872 -8.677 7.460 744 H VAL 101 H VAL 101 7.770 -3.770 4.382 745 HA VAL 101 HA VAL 101 8.591 -5.792 2.404 746 HB VAL 101 HB VAL 101 8.806 -2.794 2.100 747 HG11 VAL 101 1HG1 VAL 101 9.619 -3.615 -0.255 748 HG12 VAL 101 2HG1 VAL 101 10.750 -3.487 1.093 749 HG13 VAL 101 3HG1 VAL 101 10.085 -5.058 0.644 750 HG21 VAL 101 1HG2 VAL 101 7.493 -3.425 -0.045 751 HG22 VAL 101 2HG2 VAL 101 7.087 -4.896 0.840 752 HG23 VAL 101 3HG2 VAL 101 6.632 -3.321 1.491 753 H THR 102 H THR 102 10.629 -6.493 2.590 754 HA THR 102 HA THR 102 12.371 -5.122 4.526 755 HB THR 102 HB THR 102 12.572 -7.988 3.585 756 HG1 THR 102 1HG THR 102 11.520 -8.524 5.474 757 HG21 THR 102 1HG2 THR 102 14.565 -6.576 4.622 758 HG22 THR 102 2HG2 THR 102 14.305 -8.267 5.053 759 HG23 THR 102 3HG2 THR 102 13.745 -6.987 6.128 760 H VAL 103 H VAL 103 14.444 -4.564 3.997 761 HA VAL 103 HA VAL 103 15.204 -4.919 1.171 762 HB VAL 103 HB VAL 103 15.792 -2.632 3.050 763 HG11 VAL 103 1HG1 VAL 103 16.885 -1.715 0.862 764 HG12 VAL 103 2HG1 VAL 103 17.805 -2.771 1.936 765 HG13 VAL 103 3HG1 VAL 103 17.071 -3.424 0.471 766 HG21 VAL 103 1HG2 VAL 103 14.661 -1.305 1.300 767 HG22 VAL 103 2HG2 VAL 103 14.306 -2.797 0.429 768 HG23 VAL 103 3HG2 VAL 103 13.606 -2.519 2.024 769 H LYS 104 H LYS 104 16.619 -6.559 1.119 770 HA LYS 104 HA LYS 104 18.494 -7.037 3.250 771 HB2 LYS 104 1HB LYS 104 18.353 -8.319 0.516 772 HB3 LYS 104 2HB LYS 104 19.240 -8.924 1.909 773 HG2 LYS 104 1HG LYS 104 16.278 -8.525 2.042 774 HG3 LYS 104 2HG LYS 104 16.968 -9.979 1.318 775 HD2 LYS 104 1HD LYS 104 18.305 -10.222 3.473 776 HD3 LYS 104 2HD LYS 104 17.232 -8.994 4.148 777 HE2 LYS 104 1HE LYS 104 16.091 -10.871 4.761 778 HE3 LYS 104 2HE LYS 104 15.371 -10.599 3.175 779 HZ1 LYS 104 1HZ LYS 104 16.175 -12.519 2.448 780 HZ2 LYS 104 2HZ LYS 104 16.625 -12.883 4.037 781 HZ3 LYS 104 3HZ LYS 104 17.739 -12.165 2.985 782 HA PRO 105 HA PRO 105 21.840 -4.593 1.773 783 HB2 PRO 105 1HB PRO 105 23.914 -5.963 2.865 784 HB3 PRO 105 2HB PRO 105 22.818 -4.956 3.820 785 HG2 PRO 105 1HG PRO 105 22.816 -7.925 3.441 786 HG3 PRO 105 2HG PRO 105 22.569 -6.987 4.925 787 HD2 PRO 105 1HD PRO 105 20.516 -8.056 3.520 788 HD3 PRO 105 2HD PRO 105 20.365 -6.535 4.423 789 H ALA 106 H ALA 106 23.603 -4.603 0.309 790 HA ALA 106 HA ALA 106 23.383 -6.544 -1.773 791 HB1 ALA 106 1HB ALA 106 23.853 -4.334 -2.451 792 HB2 ALA 106 2HB ALA 106 25.218 -4.202 -1.341 793 HB3 ALA 106 3HB ALA 106 25.329 -5.253 -2.753 794 H ARG 107 H ARG 107 24.205 -8.522 -1.599 795 HA ARG 107 HA ARG 107 26.644 -8.944 -0.039 796 HB2 ARG 107 1HB ARG 107 26.077 -11.365 -0.290 797 HB3 ARG 107 2HB ARG 107 24.845 -10.423 0.539 798 HG2 ARG 107 1HG ARG 107 23.557 -10.310 -1.557 799 HG3 ARG 107 2HG ARG 107 24.774 -11.326 -2.332 800 HD2 ARG 107 1HD ARG 107 23.533 -12.281 0.197 801 HD3 ARG 107 2HD ARG 107 22.575 -12.348 -1.281 802 HE ARG 107 HE ARG 107 24.934 -13.496 -1.984 803 HH11 ARG 107 2HH1 ARG 107 22.630 -14.049 0.567 804 HH12 ARG 107 1HH1 ARG 107 22.962 -15.746 0.676 805 HH21 ARG 107 2HH2 ARG 107 25.380 -15.729 -1.850 806 HH22 ARG 107 1HH2 ARG 107 24.527 -16.701 -0.699 807 H SER 108 H SER 108 28.530 -8.997 -1.048 808 HA SER 108 HA SER 108 28.594 -9.825 -3.876 809 HB2 SER 108 1HB SER 108 30.541 -8.395 -4.163 810 HB3 SER 108 2HB SER 108 29.220 -7.452 -3.474 811 HG SER 108 HG SER 108 31.298 -8.641 -1.950 812 H GLY 109 H GLY 109 29.569 -10.604 -0.732 813 HA2 GLY 109 1HA GLY 109 30.481 -12.832 -0.387 814 HA3 GLY 109 2HA GLY 109 31.478 -12.579 -1.812 815 HA PRO 110 HA PRO 110 34.655 -11.669 1.147 816 HB2 PRO 110 1HB PRO 110 36.580 -11.041 -0.662 817 HB3 PRO 110 2HB PRO 110 36.093 -12.704 -0.316 818 HG2 PRO 110 1HG PRO 110 35.279 -10.925 -2.581 819 HG3 PRO 110 2HG PRO 110 35.721 -12.642 -2.610 820 HD2 PRO 110 1HD PRO 110 33.148 -11.798 -2.662 821 HD3 PRO 110 2HD PRO 110 33.639 -13.319 -1.889 822 H SER 111 H SER 111 33.788 -9.785 2.075 823 HA SER 111 HA SER 111 34.538 -7.267 0.739 824 HB2 SER 111 1HB SER 111 32.372 -7.700 2.810 825 HB3 SER 111 2HB SER 111 32.742 -6.182 1.994 826 HG SER 111 HG SER 111 32.384 -7.834 0.057 827 H SER 112 H SER 112 35.038 -5.461 2.267 828 HA SER 112 HA SER 112 36.405 -6.445 4.683 829 HB2 SER 112 1HB SER 112 38.269 -4.964 4.256 830 HB3 SER 112 2HB SER 112 38.010 -5.961 2.825 831 HG SER 112 HG SER 112 37.438 -4.246 1.721 832 H GLY 113 H GLY 113 37.086 -4.438 6.075 833 HA2 GLY 113 1HA GLY 113 34.646 -3.117 6.789 834 HA3 GLY 113 2HA GLY 113 36.210 -2.905 7.562 Start of MODEL 10 1 H1 GLY 1 H GLY 1 -35.895 22.805 2.530 2 HA2 GLY 1 1HA GLY 1 -35.886 22.585 5.363 3 HA3 GLY 1 2HA GLY 1 -37.307 22.560 4.328 4 H SER 2 H SER 2 -34.506 20.379 4.610 5 HA SER 2 HA SER 2 -36.400 18.146 4.866 6 HB2 SER 2 1HB SER 2 -34.880 17.999 2.946 7 HB3 SER 2 2HB SER 2 -33.491 18.131 4.024 8 HG SER 2 HG SER 2 -34.090 16.160 4.955 9 H SER 3 H SER 3 -36.479 16.962 6.671 10 HA SER 3 HA SER 3 -35.262 17.801 9.043 11 HB2 SER 3 1HB SER 3 -36.795 15.382 8.204 12 HB3 SER 3 2HB SER 3 -35.927 15.323 9.738 13 HG SER 3 HG SER 3 -37.528 17.550 9.175 14 H GLY 4 H GLY 4 -33.615 16.891 10.322 15 HA2 GLY 4 1HA GLY 4 -31.689 15.245 8.797 16 HA3 GLY 4 2HA GLY 4 -31.203 16.529 9.894 17 H SER 5 H SER 5 -30.579 13.621 9.847 18 HA SER 5 HA SER 5 -31.354 13.062 12.626 19 HB2 SER 5 1HB SER 5 -31.650 10.688 12.093 20 HB3 SER 5 2HB SER 5 -32.754 11.678 11.138 21 HG SER 5 HG SER 5 -30.761 10.023 10.317 22 H SER 6 H SER 6 -29.296 13.821 13.251 23 HA SER 6 HA SER 6 -26.957 12.394 12.249 24 HB2 SER 6 1HB SER 6 -26.924 14.884 12.566 25 HB3 SER 6 2HB SER 6 -27.065 14.614 14.303 26 HG SER 6 HG SER 6 -25.041 13.268 12.931 27 H GLY 7 H GLY 7 -25.523 11.246 13.596 28 HA2 GLY 7 1HA GLY 7 -25.321 10.784 16.182 29 HA3 GLY 7 2HA GLY 7 -26.860 9.994 15.875 30 HA PRO 8 HA PRO 8 -24.235 6.444 15.271 31 HB2 PRO 8 1HB PRO 8 -26.261 4.677 14.893 32 HB3 PRO 8 2HB PRO 8 -25.790 5.271 16.490 33 HG2 PRO 8 1HG PRO 8 -28.038 6.162 14.724 34 HG3 PRO 8 2HG PRO 8 -28.034 5.882 16.475 35 HD2 PRO 8 1HD PRO 8 -27.856 8.359 15.395 36 HD3 PRO 8 2HD PRO 8 -27.069 7.926 16.927 37 H ARG 9 H ARG 9 -23.200 6.139 13.407 38 HA ARG 9 HA ARG 9 -24.789 5.785 10.957 39 HB2 ARG 9 1HB ARG 9 -23.032 6.968 9.691 40 HB3 ARG 9 2HB ARG 9 -23.811 8.006 10.878 41 HG2 ARG 9 1HG ARG 9 -21.327 6.595 11.681 42 HG3 ARG 9 2HG ARG 9 -21.193 7.958 10.568 43 HD2 ARG 9 1HD ARG 9 -22.375 9.383 12.150 44 HD3 ARG 9 2HD ARG 9 -22.568 8.021 13.252 45 HE ARG 9 HE ARG 9 -20.270 9.670 12.971 46 HH11 ARG 9 2HH1 ARG 9 -21.281 6.405 13.634 47 HH12 ARG 9 1HH1 ARG 9 -19.869 6.018 14.561 48 HH21 ARG 9 2HH2 ARG 9 -18.407 9.172 14.189 49 HH22 ARG 9 1HH2 ARG 9 -18.236 7.592 14.877 50 H THR 10 H THR 10 -23.757 4.501 9.303 51 HA THR 10 HA THR 10 -21.507 2.855 10.208 52 HB THR 10 HB THR 10 -22.660 0.806 9.359 53 HG1 THR 10 1HG THR 10 -25.102 1.179 9.423 54 HG21 THR 10 1HG2 THR 10 -22.568 1.354 11.769 55 HG22 THR 10 2HG2 THR 10 -24.026 0.461 11.335 56 HG23 THR 10 3HG2 THR 10 -24.107 2.200 11.614 57 H VAL 11 H VAL 11 -20.189 2.089 8.587 58 HA VAL 11 HA VAL 11 -20.829 3.031 5.867 59 HB VAL 11 HB VAL 11 -18.482 3.323 5.444 60 HG11 VAL 11 1HG1 VAL 11 -17.987 4.857 7.595 61 HG12 VAL 11 2HG1 VAL 11 -19.082 5.330 6.294 62 HG13 VAL 11 3HG1 VAL 11 -19.726 4.629 7.780 63 HG21 VAL 11 1HG2 VAL 11 -16.883 3.031 7.435 64 HG22 VAL 11 2HG2 VAL 11 -18.146 2.006 8.118 65 HG23 VAL 11 3HG2 VAL 11 -17.409 1.584 6.573 66 H LYS 12 H LYS 12 -19.482 1.788 4.172 67 HA LYS 12 HA LYS 12 -20.099 -1.024 4.518 68 HB2 LYS 12 1HB LYS 12 -19.437 0.755 2.223 69 HB3 LYS 12 2HB LYS 12 -19.086 -0.960 2.052 70 HG2 LYS 12 1HG LYS 12 -21.420 -1.490 2.539 71 HG3 LYS 12 2HG LYS 12 -21.773 0.231 2.715 72 HD2 LYS 12 1HD LYS 12 -22.408 -0.096 0.537 73 HD3 LYS 12 2HD LYS 12 -20.717 0.353 0.305 74 HE2 LYS 12 1HE LYS 12 -20.067 -1.896 -0.017 75 HE3 LYS 12 2HE LYS 12 -21.608 -2.505 0.583 76 HZ1 LYS 12 1HZ LYS 12 -21.129 -1.066 -1.968 77 HZ2 LYS 12 2HZ LYS 12 -22.667 -1.440 -1.371 78 HZ3 LYS 12 3HZ LYS 12 -21.593 -2.682 -1.779 79 H GLU 13 H GLU 13 -18.659 -2.328 5.427 80 HA GLU 13 HA GLU 13 -15.919 -1.697 5.731 81 HB2 GLU 13 1HB GLU 13 -15.710 -4.047 6.536 82 HB3 GLU 13 2HB GLU 13 -16.985 -3.136 7.333 83 HG2 GLU 13 1HG GLU 13 -18.613 -4.197 5.767 84 HG3 GLU 13 2HG GLU 13 -17.299 -5.219 5.187 85 H LEU 14 H LEU 14 -14.588 -1.549 4.042 86 HA LEU 14 HA LEU 14 -14.865 -3.404 1.803 87 HB2 LEU 14 1HB LEU 14 -13.004 -1.052 2.092 88 HB3 LEU 14 2HB LEU 14 -13.357 -1.948 0.616 89 HG LEU 14 HG LEU 14 -15.378 -0.292 2.121 90 HD11 LEU 14 1HD1 LEU 14 -13.628 0.378 -0.231 91 HD12 LEU 14 2HD1 LEU 14 -13.759 1.231 1.306 92 HD13 LEU 14 3HD1 LEU 14 -15.101 1.264 0.162 93 HD21 LEU 14 1HD2 LEU 14 -16.388 -0.467 -0.303 94 HD22 LEU 14 2HD2 LEU 14 -16.657 -1.736 0.892 95 HD23 LEU 14 3HD2 LEU 14 -15.425 -1.944 -0.354 96 H THR 15 H THR 15 -13.464 -5.003 1.371 97 HA THR 15 HA THR 15 -11.419 -5.593 3.339 98 HB THR 15 HB THR 15 -12.317 -7.161 0.914 99 HG1 THR 15 1HG THR 15 -13.114 -7.054 3.592 100 HG21 THR 15 1HG2 THR 15 -11.148 -9.038 2.261 101 HG22 THR 15 2HG2 THR 15 -10.289 -7.717 3.053 102 HG23 THR 15 3HG2 THR 15 -10.155 -7.936 1.309 103 H VAL 16 H VAL 16 -9.776 -4.117 2.988 104 HA VAL 16 HA VAL 16 -8.610 -3.870 0.336 105 HB VAL 16 HB VAL 16 -7.794 -2.584 2.946 106 HG11 VAL 16 1HG1 VAL 16 -6.893 -2.037 0.120 107 HG12 VAL 16 2HG1 VAL 16 -6.472 -1.067 1.532 108 HG13 VAL 16 3HG1 VAL 16 -5.919 -2.738 1.412 109 HG21 VAL 16 1HG2 VAL 16 -9.584 -1.721 0.704 110 HG22 VAL 16 2HG2 VAL 16 -9.873 -1.667 2.443 111 HG23 VAL 16 3HG2 VAL 16 -8.745 -0.532 1.701 112 H SER 17 H SER 17 -6.757 -4.794 -0.332 113 HA SER 17 HA SER 17 -4.963 -6.036 1.599 114 HB2 SER 17 1HB SER 17 -6.696 -7.750 0.911 115 HB3 SER 17 2HB SER 17 -6.045 -7.640 -0.724 116 HG SER 17 HG SER 17 -4.546 -8.327 1.587 117 H ALA 18 H ALA 18 -2.904 -5.735 1.043 118 HA ALA 18 HA ALA 18 -2.266 -4.378 -1.403 119 HB1 ALA 18 1HB ALA 18 0.119 -4.653 -0.493 120 HB2 ALA 18 2HB ALA 18 -1.010 -3.655 0.425 121 HB3 ALA 18 3HB ALA 18 -0.657 -5.300 0.953 122 H GLY 19 H GLY 19 -1.705 -7.613 -0.080 123 HA2 GLY 19 1HA GLY 19 -1.885 -9.230 -2.127 124 HA3 GLY 19 2HA GLY 19 -0.397 -8.413 -2.581 125 H ASP 20 H ASP 20 1.353 -8.445 -0.893 126 HA ASP 20 HA ASP 20 1.357 -10.342 1.187 127 HB2 ASP 20 1HB ASP 20 1.269 -11.813 -0.928 128 HB3 ASP 20 2HB ASP 20 2.936 -11.307 -1.187 129 H ASN 21 H ASN 21 3.740 -10.907 1.799 130 HA ASN 21 HA ASN 21 5.101 -8.442 2.137 131 HB2 ASN 21 1HB ASN 21 6.897 -9.890 3.158 132 HB3 ASN 21 2HB ASN 21 5.296 -10.085 3.866 133 HD21 ASN 21 1HD2 ASN 21 4.751 -12.095 4.245 134 HD22 ASN 21 2HD2 ASN 21 5.277 -13.483 3.362 135 H LEU 22 H LEU 22 6.701 -7.523 1.004 136 HA LEU 22 HA LEU 22 7.822 -9.047 -1.254 137 HB2 LEU 22 1HB LEU 22 7.616 -6.053 -1.039 138 HB3 LEU 22 2HB LEU 22 8.043 -7.001 -2.461 139 HG LEU 22 HG LEU 22 5.874 -6.337 -2.914 140 HD11 LEU 22 1HD1 LEU 22 5.371 -8.928 -1.472 141 HD12 LEU 22 2HD1 LEU 22 6.227 -8.830 -3.010 142 HD13 LEU 22 3HD1 LEU 22 4.550 -8.297 -2.900 143 HD21 LEU 22 1HD2 LEU 22 4.052 -6.339 -1.282 144 HD22 LEU 22 2HD2 LEU 22 5.397 -5.331 -0.746 145 HD23 LEU 22 3HD2 LEU 22 5.160 -6.932 -0.044 146 H ILE 23 H ILE 23 9.999 -9.129 -1.533 147 HA ILE 23 HA ILE 23 11.673 -7.612 0.354 148 HB ILE 23 HB ILE 23 12.102 -10.500 -0.420 149 HG12 ILE 23 1HG1 ILE 23 11.459 -9.434 2.325 150 HG13 ILE 23 2HG1 ILE 23 10.200 -9.949 1.209 151 HG21 ILE 23 1HG2 ILE 23 14.235 -9.901 0.001 152 HG22 ILE 23 2HG2 ILE 23 13.766 -8.476 0.926 153 HG23 ILE 23 3HG2 ILE 23 13.728 -10.069 1.681 154 HD11 ILE 23 1HD1 ILE 23 11.365 -12.172 1.101 155 HD12 ILE 23 2HD1 ILE 23 12.369 -11.616 2.440 156 HD13 ILE 23 3HD1 ILE 23 10.624 -11.764 2.649 157 H ILE 24 H ILE 24 13.291 -6.533 -0.570 158 HA ILE 24 HA ILE 24 14.046 -7.258 -3.325 159 HB ILE 24 HB ILE 24 14.854 -4.760 -3.319 160 HG12 ILE 24 1HG1 ILE 24 12.686 -4.775 -1.210 161 HG13 ILE 24 2HG1 ILE 24 14.362 -4.286 -0.989 162 HG21 ILE 24 1HG2 ILE 24 13.088 -5.843 -4.736 163 HG22 ILE 24 2HG2 ILE 24 11.909 -5.340 -3.526 164 HG23 ILE 24 3HG2 ILE 24 12.837 -4.128 -4.408 165 HD11 ILE 24 1HD1 ILE 24 12.725 -2.416 -1.179 166 HD12 ILE 24 2HD1 ILE 24 14.054 -2.356 -2.338 167 HD13 ILE 24 3HD1 ILE 24 12.457 -2.899 -2.853 168 H THR 25 H THR 25 16.279 -6.620 -3.936 169 HA THR 25 HA THR 25 18.146 -6.681 -1.666 170 HB THR 25 HB THR 25 18.451 -8.365 -4.159 171 HG1 THR 25 1HG THR 25 17.382 -8.875 -1.628 172 HG21 THR 25 1HG2 THR 25 20.107 -8.204 -1.638 173 HG22 THR 25 2HG2 THR 25 20.588 -7.639 -3.238 174 HG23 THR 25 3HG2 THR 25 20.346 -9.361 -2.946 175 H LEU 26 H LEU 26 19.596 -5.104 -1.784 176 HA LEU 26 HA LEU 26 19.721 -3.161 -3.711 177 HB2 LEU 26 1HB LEU 26 21.776 -4.167 -1.774 178 HB3 LEU 26 2HB LEU 26 22.131 -2.833 -2.869 179 HG LEU 26 HG LEU 26 20.068 -2.903 -0.673 180 HD11 LEU 26 1HD1 LEU 26 21.764 -0.658 -0.556 181 HD12 LEU 26 2HD1 LEU 26 22.794 -2.064 -0.822 182 HD13 LEU 26 3HD1 LEU 26 21.691 -2.026 0.554 183 HD21 LEU 26 1HD2 LEU 26 18.991 -1.714 -2.379 184 HD22 LEU 26 2HD2 LEU 26 20.488 -0.951 -2.915 185 HD23 LEU 26 3HD2 LEU 26 19.751 -0.470 -1.386 186 HA PRO 27 HA PRO 27 21.539 -1.748 -4.426 187 HB2 PRO 27 1HB PRO 27 21.471 -0.695 -6.927 188 HB3 PRO 27 2HB PRO 27 22.973 -1.173 -6.127 189 HG2 PRO 27 1HG PRO 27 21.357 -2.655 -8.165 190 HG3 PRO 27 2HG PRO 27 23.116 -2.458 -8.060 191 HD2 PRO 27 1HD PRO 27 21.851 -4.708 -7.242 192 HD3 PRO 27 2HD PRO 27 23.332 -4.111 -6.468 193 H ASP 28 H ASP 28 19.473 -3.682 -6.396 194 HA ASP 28 HA ASP 28 17.447 -1.976 -7.135 195 HB2 ASP 28 1HB ASP 28 17.178 -4.803 -6.089 196 HB3 ASP 28 2HB ASP 28 15.936 -3.932 -6.984 197 H ASN 29 H ASN 29 16.724 -0.398 -5.826 198 HA ASN 29 HA ASN 29 15.641 -1.205 -3.207 199 HB2 ASN 29 1HB ASN 29 16.138 1.128 -2.447 200 HB3 ASN 29 2HB ASN 29 17.574 0.178 -2.816 201 HD21 ASN 29 1HD2 ASN 29 18.583 2.297 -2.942 202 HD22 ASN 29 2HD2 ASN 29 18.501 3.176 -4.428 203 H GLU 30 H GLU 30 14.337 -1.083 -5.843 204 HA GLU 30 HA GLU 30 12.267 0.910 -5.190 205 HB2 GLU 30 1HB GLU 30 12.927 0.012 -7.992 206 HB3 GLU 30 2HB GLU 30 11.907 1.356 -7.500 207 HG2 GLU 30 1HG GLU 30 13.876 2.512 -6.609 208 HG3 GLU 30 2HG GLU 30 14.890 1.175 -7.147 209 H VAL 31 H VAL 31 10.242 0.166 -5.016 210 HA VAL 31 HA VAL 31 9.564 -2.434 -6.188 211 HB VAL 31 HB VAL 31 10.104 -3.057 -3.959 212 HG11 VAL 31 1HG1 VAL 31 8.978 -1.930 -2.008 213 HG12 VAL 31 2HG1 VAL 31 10.197 -0.964 -2.842 214 HG13 VAL 31 3HG1 VAL 31 8.483 -0.661 -3.127 215 HG21 VAL 31 1HG2 VAL 31 7.120 -2.691 -3.900 216 HG22 VAL 31 2HG2 VAL 31 7.914 -3.858 -4.958 217 HG23 VAL 31 3HG2 VAL 31 8.075 -4.002 -3.208 218 H GLU 32 H GLU 32 7.452 -2.652 -6.828 219 HA GLU 32 HA GLU 32 5.794 -0.231 -6.589 220 HB2 GLU 32 1HB GLU 32 6.288 -0.603 -8.877 221 HB3 GLU 32 2HB GLU 32 5.984 -2.329 -8.741 222 HG2 GLU 32 1HG GLU 32 3.664 -2.029 -8.647 223 HG3 GLU 32 2HG GLU 32 3.816 -0.306 -8.305 224 H LEU 33 H LEU 33 4.431 -0.524 -4.931 225 HA LEU 33 HA LEU 33 3.235 -3.134 -4.451 226 HB2 LEU 33 1HB LEU 33 2.855 -0.553 -2.943 227 HB3 LEU 33 2HB LEU 33 2.357 -2.160 -2.420 228 HG LEU 33 HG LEU 33 5.249 -1.578 -2.920 229 HD11 LEU 33 1HD1 LEU 33 4.575 0.220 -1.473 230 HD12 LEU 33 2HD1 LEU 33 5.458 -0.978 -0.528 231 HD13 LEU 33 3HD1 LEU 33 3.699 -0.898 -0.426 232 HD21 LEU 33 1HD2 LEU 33 5.171 -3.203 -0.815 233 HD22 LEU 33 2HD2 LEU 33 5.088 -3.800 -2.473 234 HD23 LEU 33 3HD2 LEU 33 3.611 -3.617 -1.525 235 H LYS 34 H LYS 34 0.868 -3.227 -3.980 236 HA LYS 34 HA LYS 34 -0.718 -1.312 -5.525 237 HB2 LYS 34 1HB LYS 34 -0.116 -3.281 -6.976 238 HB3 LYS 34 2HB LYS 34 -1.020 -4.299 -5.863 239 HG2 LYS 34 1HG LYS 34 -3.064 -3.305 -6.438 240 HG3 LYS 34 2HG LYS 34 -2.272 -1.936 -7.222 241 HD2 LYS 34 1HD LYS 34 -1.755 -4.680 -8.263 242 HD3 LYS 34 2HD LYS 34 -3.299 -3.909 -8.634 243 HE2 LYS 34 1HE LYS 34 -2.194 -2.056 -9.673 244 HE3 LYS 34 2HE LYS 34 -0.616 -2.630 -9.136 245 HZ1 LYS 34 1HZ LYS 34 -1.660 -3.124 -11.550 246 HZ2 LYS 34 2HZ LYS 34 -2.126 -4.521 -10.720 247 HZ3 LYS 34 3HZ LYS 34 -0.491 -4.096 -10.808 248 H ALA 35 H ALA 35 -2.996 -1.369 -5.031 249 HA ALA 35 HA ALA 35 -3.593 -2.646 -2.442 250 HB1 ALA 35 1HB ALA 35 -4.445 -0.737 -1.566 251 HB2 ALA 35 2HB ALA 35 -3.295 -0.005 -2.686 252 HB3 ALA 35 3HB ALA 35 -4.997 -0.134 -3.129 253 H PHE 36 H PHE 36 -5.080 -4.167 -2.702 254 HA PHE 36 HA PHE 36 -7.075 -3.864 -4.834 255 HB2 PHE 36 1HB PHE 36 -5.881 -6.230 -3.440 256 HB3 PHE 36 2HB PHE 36 -7.473 -6.376 -4.176 257 HD1 PHE 36 1HD PHE 36 -7.726 -5.945 -6.626 258 HD2 PHE 36 2HD PHE 36 -3.925 -6.273 -4.740 259 HE1 PHE 36 1HE PHE 36 -6.679 -6.346 -8.816 260 HE2 PHE 36 2HE PHE 36 -2.871 -6.675 -6.927 261 HZ PHE 36 HZ PHE 36 -4.248 -6.711 -8.969 262 H VAL 37 H VAL 37 -9.119 -3.423 -4.346 263 HA VAL 37 HA VAL 37 -9.981 -3.728 -1.545 264 HB VAL 37 HB VAL 37 -11.037 -1.831 -3.647 265 HG11 VAL 37 1HG1 VAL 37 -11.930 -0.974 -1.191 266 HG12 VAL 37 2HG1 VAL 37 -12.885 -1.847 -2.391 267 HG13 VAL 37 3HG1 VAL 37 -12.092 -2.726 -1.084 268 HG21 VAL 37 1HG2 VAL 37 -9.159 -0.720 -3.067 269 HG22 VAL 37 2HG2 VAL 37 -10.115 -0.262 -1.658 270 HG23 VAL 37 3HG2 VAL 37 -8.974 -1.602 -1.552 271 H ALA 38 H ALA 38 -11.765 -4.891 -1.071 272 HA ALA 38 HA ALA 38 -13.363 -5.931 -3.317 273 HB1 ALA 38 1HB ALA 38 -13.343 -7.802 -1.157 274 HB2 ALA 38 2HB ALA 38 -12.814 -8.022 -2.826 275 HB3 ALA 38 3HB ALA 38 -11.683 -7.418 -1.615 276 HA PRO 39 HA PRO 39 -15.173 -6.611 -3.906 277 HB2 PRO 39 1HB PRO 39 -17.237 -5.136 -4.874 278 HB3 PRO 39 2HB PRO 39 -17.470 -6.608 -3.923 279 HG2 PRO 39 1HG PRO 39 -17.604 -3.748 -3.050 280 HG3 PRO 39 2HG PRO 39 -18.677 -5.096 -2.633 281 HD2 PRO 39 1HD PRO 39 -16.732 -4.216 -0.969 282 HD3 PRO 39 2HD PRO 39 -17.233 -5.917 -1.035 283 H ALA 40 H ALA 40 -14.843 -5.658 -6.042 284 HA ALA 40 HA ALA 40 -13.115 -3.356 -5.900 285 HB1 ALA 40 1HB ALA 40 -12.189 -4.179 -7.755 286 HB2 ALA 40 2HB ALA 40 -13.210 -5.594 -7.499 287 HB3 ALA 40 3HB ALA 40 -13.745 -4.305 -8.577 288 HA PRO 41 HA PRO 41 -16.082 -0.289 -6.990 289 HB2 PRO 41 1HB PRO 41 -14.399 1.583 -8.006 290 HB3 PRO 41 2HB PRO 41 -14.530 1.247 -6.276 291 HG2 PRO 41 1HG PRO 41 -12.485 0.290 -8.242 292 HG3 PRO 41 2HG PRO 41 -12.254 0.886 -6.588 293 HD2 PRO 41 1HD PRO 41 -12.259 -1.752 -7.198 294 HD3 PRO 41 2HD PRO 41 -12.849 -1.130 -5.643 295 HA PRO 42 HA PRO 42 -17.044 -0.888 -11.254 296 HB2 PRO 42 1HB PRO 42 -18.707 1.225 -11.623 297 HB3 PRO 42 2HB PRO 42 -19.174 -0.217 -10.714 298 HG2 PRO 42 1HG PRO 42 -18.223 2.435 -9.701 299 HG3 PRO 42 2HG PRO 42 -19.544 1.416 -9.101 300 HD2 PRO 42 1HD PRO 42 -17.110 1.491 -7.917 301 HD3 PRO 42 2HD PRO 42 -18.116 0.029 -7.940 302 H VAL 43 H VAL 43 -17.584 1.001 -13.140 303 HA VAL 43 HA VAL 43 -14.944 2.007 -13.734 304 HB VAL 43 HB VAL 43 -16.186 1.004 -15.541 305 HG11 VAL 43 1HG1 VAL 43 -18.238 2.186 -16.416 306 HG12 VAL 43 2HG1 VAL 43 -18.443 1.320 -14.892 307 HG13 VAL 43 3HG1 VAL 43 -18.270 3.076 -14.894 308 HG21 VAL 43 1HG2 VAL 43 -14.670 2.851 -16.090 309 HG22 VAL 43 2HG2 VAL 43 -16.030 2.772 -17.210 310 HG23 VAL 43 3HG2 VAL 43 -16.008 3.990 -15.936 311 H GLU 44 H GLU 44 -18.026 3.291 -12.710 312 HA GLU 44 HA GLU 44 -17.190 6.040 -13.148 313 HB2 GLU 44 1HB GLU 44 -19.717 4.775 -12.105 314 HB3 GLU 44 2HB GLU 44 -19.448 6.511 -12.028 315 HG2 GLU 44 1HG GLU 44 -19.119 5.112 -14.634 316 HG3 GLU 44 2HG GLU 44 -20.741 5.438 -14.028 317 H THR 45 H THR 45 -18.451 4.259 -10.323 318 HA THR 45 HA THR 45 -17.404 6.157 -8.470 319 HB THR 45 HB THR 45 -18.291 3.343 -7.831 320 HG1 THR 45 1HG THR 45 -20.200 3.978 -8.470 321 HG21 THR 45 1HG2 THR 45 -18.255 3.953 -5.667 322 HG22 THR 45 2HG2 THR 45 -18.917 5.551 -6.009 323 HG23 THR 45 3HG2 THR 45 -17.191 5.250 -6.209 324 H THR 46 H THR 46 -15.431 6.284 -7.632 325 HA THR 46 HA THR 46 -13.722 3.887 -7.657 326 HB THR 46 HB THR 46 -13.022 5.360 -9.494 327 HG1 THR 46 1HG THR 46 -11.484 4.193 -8.006 328 HG21 THR 46 1HG2 THR 46 -13.822 7.467 -8.279 329 HG22 THR 46 2HG2 THR 46 -12.318 7.583 -9.193 330 HG23 THR 46 3HG2 THR 46 -12.273 7.421 -7.437 331 H TYR 47 H TYR 47 -12.083 3.824 -6.035 332 HA TYR 47 HA TYR 47 -12.824 5.350 -3.646 333 HB2 TYR 47 1HB TYR 47 -11.058 2.906 -3.878 334 HB3 TYR 47 2HB TYR 47 -11.629 3.641 -2.385 335 HD1 TYR 47 2HD TYR 47 -14.459 4.140 -2.992 336 HD2 TYR 47 1HD TYR 47 -12.015 0.786 -3.929 337 HE1 TYR 47 2HE TYR 47 -16.457 2.707 -3.047 338 HE2 TYR 47 1HE TYR 47 -14.006 -0.657 -3.987 339 HH TYR 47 HH TYR 47 -16.364 -0.531 -4.238 340 H ASN 48 H ASN 48 -10.865 5.728 -2.122 341 HA ASN 48 HA ASN 48 -8.765 7.033 -3.719 342 HB2 ASN 48 1HB ASN 48 -10.042 7.722 -1.089 343 HB3 ASN 48 2HB ASN 48 -8.439 8.334 -1.487 344 HD21 ASN 48 1HD2 ASN 48 -11.209 9.543 -1.188 345 HD22 ASN 48 2HD2 ASN 48 -11.387 10.518 -2.603 346 H TYR 49 H TYR 49 -6.682 6.490 -3.436 347 HA TYR 49 HA TYR 49 -6.087 4.458 -1.394 348 HB2 TYR 49 1HB TYR 49 -4.493 5.083 -3.884 349 HB3 TYR 49 2HB TYR 49 -4.288 3.705 -2.808 350 HD1 TYR 49 1HD TYR 49 -5.964 1.886 -2.793 351 HD2 TYR 49 2HD TYR 49 -6.169 5.085 -5.590 352 HE1 TYR 49 1HE TYR 49 -7.512 0.568 -4.177 353 HE2 TYR 49 2HE TYR 49 -7.719 3.777 -6.982 354 HH TYR 49 HH TYR 49 -9.398 1.840 -6.545 355 H GLU 50 H GLU 50 -5.214 5.336 0.364 356 HA GLU 50 HA GLU 50 -3.174 7.432 0.007 357 HB2 GLU 50 1HB GLU 50 -5.080 8.376 1.127 358 HB3 GLU 50 2HB GLU 50 -5.149 7.028 2.254 359 HG2 GLU 50 1HG GLU 50 -2.744 7.809 2.891 360 HG3 GLU 50 2HG GLU 50 -3.263 9.331 2.169 361 H TRP 51 H TRP 51 -1.266 6.421 0.150 362 HA TRP 51 HA TRP 51 -0.888 4.237 2.032 363 HB2 TRP 51 1HB TRP 51 0.888 5.456 -0.085 364 HB3 TRP 51 2HB TRP 51 1.433 4.188 1.009 365 HD1 TRP 51 HD TRP 51 -0.802 4.774 -2.023 366 HE1 TRP 51 1HE TRP 51 -1.480 2.495 -3.008 367 HE3 TRP 51 3HE TRP 51 1.017 1.725 1.656 368 HZ2 TRP 51 2HZ TRP 51 -1.272 -0.234 -2.318 369 HZ3 TRP 51 3HZ TRP 51 0.736 -0.708 1.417 370 HH2 TRP 51 HH TRP 51 -0.386 -1.665 -0.529 371 H ASN 52 H ASN 52 0.787 4.219 3.616 372 HA ASN 52 HA ASN 52 2.142 6.670 4.294 373 HB2 ASN 52 1HB ASN 52 -0.222 5.695 5.850 374 HB3 ASN 52 2HB ASN 52 1.110 6.463 6.707 375 HD21 ASN 52 1HD2 ASN 52 -1.608 6.912 4.686 376 HD22 ASN 52 2HD2 ASN 52 -1.527 8.634 4.576 377 H LEU 53 H LEU 53 3.742 6.392 5.924 378 HA LEU 53 HA LEU 53 4.462 3.572 6.342 379 HB2 LEU 53 1HB LEU 53 6.080 4.861 5.064 380 HB3 LEU 53 2HB LEU 53 6.179 6.050 6.361 381 HG LEU 53 HG LEU 53 7.087 4.209 7.825 382 HD11 LEU 53 1HD1 LEU 53 7.048 2.778 5.188 383 HD12 LEU 53 2HD1 LEU 53 6.435 2.235 6.749 384 HD13 LEU 53 3HD1 LEU 53 8.173 2.342 6.474 385 HD21 LEU 53 1HD2 LEU 53 8.953 5.312 7.344 386 HD22 LEU 53 2HD2 LEU 53 8.358 5.719 5.734 387 HD23 LEU 53 3HD2 LEU 53 9.210 4.197 6.002 388 H ILE 54 H ILE 54 3.810 2.892 8.279 389 HA ILE 54 HA ILE 54 3.916 4.726 10.561 390 HB ILE 54 HB ILE 54 2.659 2.890 11.747 391 HG12 ILE 54 1HG1 ILE 54 3.460 1.217 9.879 392 HG13 ILE 54 2HG1 ILE 54 1.890 1.009 10.647 393 HG21 ILE 54 1HG2 ILE 54 1.343 4.682 11.089 394 HG22 ILE 54 2HG2 ILE 54 1.580 4.355 9.373 395 HG23 ILE 54 3HG2 ILE 54 0.534 3.309 10.333 396 HD11 ILE 54 1HD1 ILE 54 2.277 0.989 7.994 397 HD12 ILE 54 2HD1 ILE 54 0.764 1.472 8.761 398 HD13 ILE 54 3HD1 ILE 54 1.920 2.698 8.240 399 H SER 55 H SER 55 5.270 1.734 9.351 400 HA SER 55 HA SER 55 6.984 1.582 11.744 401 HB2 SER 55 1HB SER 55 5.357 -0.376 10.994 402 HB3 SER 55 2HB SER 55 6.691 -0.754 9.905 403 HG SER 55 HG SER 55 7.288 -0.259 12.587 404 H HIS 56 H HIS 56 8.981 2.266 11.405 405 HA HIS 56 HA HIS 56 10.468 1.396 9.088 406 HB2 HIS 56 1HB HIS 56 11.082 3.618 8.314 407 HB3 HIS 56 2HB HIS 56 9.331 3.434 8.259 408 HD1 HIS 56 1HD HIS 56 12.050 5.252 10.086 409 HD2 HIS 56 2HD HIS 56 7.899 5.119 9.954 410 HE1 HIS 56 1HE HIS 56 11.271 7.249 11.401 411 HE2 HIS 56 2HE HIS 56 8.757 7.100 11.380 412 HA PRO 57 HA PRO 57 13.695 1.434 12.078 413 HB2 PRO 57 1HB PRO 57 15.837 1.390 10.410 414 HB3 PRO 57 2HB PRO 57 14.802 -0.017 10.682 415 HG2 PRO 57 1HG PRO 57 14.782 1.940 8.417 416 HG3 PRO 57 2HG PRO 57 14.628 0.174 8.371 417 HD2 PRO 57 1HD PRO 57 12.493 1.828 8.179 418 HD3 PRO 57 2HD PRO 57 12.396 0.228 8.943 419 H THR 58 H THR 58 15.344 2.752 12.953 420 HA THR 58 HA THR 58 14.974 5.528 12.604 421 HB THR 58 HB THR 58 15.894 4.208 14.661 422 HG1 THR 58 1HG THR 58 17.306 6.593 14.202 423 HG21 THR 58 1HG2 THR 58 18.565 5.092 13.712 424 HG22 THR 58 2HG2 THR 58 17.936 3.575 13.069 425 HG23 THR 58 3HG2 THR 58 18.130 3.783 14.809 426 H ASP 59 H ASP 59 17.016 3.249 11.032 427 HA ASP 59 HA ASP 59 19.062 5.019 10.177 428 HB2 ASP 59 1HB ASP 59 18.101 2.378 9.065 429 HB3 ASP 59 2HB ASP 59 19.517 3.235 8.462 430 H TYR 60 H TYR 60 15.846 4.381 9.082 431 HA TYR 60 HA TYR 60 16.323 5.842 6.583 432 HB2 TYR 60 1HB TYR 60 15.108 3.608 6.598 433 HB3 TYR 60 2HB TYR 60 13.779 4.438 7.398 434 HD1 TYR 60 1HD TYR 60 15.945 4.780 4.370 435 HD2 TYR 60 2HD TYR 60 12.086 5.300 6.084 436 HE1 TYR 60 1HE TYR 60 15.072 5.479 2.179 437 HE2 TYR 60 2HE TYR 60 11.202 5.999 3.898 438 HH TYR 60 HH TYR 60 13.313 6.220 1.049 439 H GLN 61 H GLN 61 15.338 7.759 6.121 440 HA GLN 61 HA GLN 61 14.399 9.307 8.348 441 HB2 GLN 61 1HB GLN 61 14.768 9.903 5.418 442 HB3 GLN 61 2HB GLN 61 14.076 11.075 6.531 443 HG2 GLN 61 1HG GLN 61 16.122 10.992 7.876 444 HG3 GLN 61 2HG GLN 61 16.816 9.845 6.731 445 HE21 GLN 61 1HE2 GLN 61 15.199 13.007 6.693 446 HE22 GLN 61 2HE2 GLN 61 16.275 13.733 5.553 447 H GLY 62 H GLY 62 12.946 8.388 5.218 448 HA2 GLY 62 1HA GLY 62 10.690 7.420 5.267 449 HA3 GLY 62 2HA GLY 62 10.307 8.576 6.534 450 H GLU 63 H GLU 63 10.892 8.156 3.106 451 HA GLU 63 HA GLU 63 9.506 10.708 2.635 452 HB2 GLU 63 1HB GLU 63 11.974 9.659 1.256 453 HB3 GLU 63 2HB GLU 63 10.960 10.913 0.555 454 HG2 GLU 63 1HG GLU 63 11.369 12.334 2.498 455 HG3 GLU 63 2HG GLU 63 12.387 11.077 3.200 456 H ILE 64 H ILE 64 7.556 9.992 1.994 457 HA ILE 64 HA ILE 64 7.467 8.350 -0.429 458 HB ILE 64 HB ILE 64 5.649 7.824 1.922 459 HG12 ILE 64 1HG1 ILE 64 7.894 6.059 0.940 460 HG13 ILE 64 2HG1 ILE 64 8.081 7.186 2.278 461 HG21 ILE 64 1HG2 ILE 64 5.822 6.845 -0.859 462 HG22 ILE 64 2HG2 ILE 64 5.486 5.637 0.381 463 HG23 ILE 64 3HG2 ILE 64 4.421 7.031 0.196 464 HD11 ILE 64 1HD1 ILE 64 7.647 5.121 3.273 465 HD12 ILE 64 2HD1 ILE 64 6.109 5.981 3.343 466 HD13 ILE 64 3HD1 ILE 64 6.368 4.735 2.122 467 H LYS 65 H LYS 65 5.544 8.593 -1.669 468 HA LYS 65 HA LYS 65 4.250 11.181 -1.230 469 HB2 LYS 65 1HB LYS 65 4.327 9.380 -3.657 470 HB3 LYS 65 2HB LYS 65 3.483 10.921 -3.585 471 HG2 LYS 65 1HG LYS 65 6.423 10.699 -3.033 472 HG3 LYS 65 2HG LYS 65 5.785 10.886 -4.668 473 HD2 LYS 65 1HD LYS 65 5.023 12.762 -2.449 474 HD3 LYS 65 2HD LYS 65 6.483 13.006 -3.410 475 HE2 LYS 65 1HE LYS 65 5.279 13.377 -5.366 476 HE3 LYS 65 2HE LYS 65 3.831 12.591 -4.738 477 HZ1 LYS 65 1HZ LYS 65 3.292 14.812 -4.623 478 HZ2 LYS 65 2HZ LYS 65 4.854 15.297 -4.192 479 HZ3 LYS 65 3HZ LYS 65 3.864 14.529 -3.056 480 H GLN 66 H GLN 66 3.547 8.736 0.274 481 HA GLN 66 HA GLN 66 1.736 7.451 0.848 482 HB2 GLN 66 1HB GLN 66 0.383 10.073 0.187 483 HB3 GLN 66 2HB GLN 66 -0.322 8.784 1.154 484 HG2 GLN 66 1HG GLN 66 0.980 9.233 2.965 485 HG3 GLN 66 2HG GLN 66 2.306 9.870 1.994 486 HE21 GLN 66 1HE2 GLN 66 1.985 11.394 3.963 487 HE22 GLN 66 2HE2 GLN 66 1.024 12.795 3.648 488 H GLY 67 H GLY 67 2.470 7.417 -2.031 489 HA2 GLY 67 1HA GLY 67 1.516 6.940 -4.112 490 HA3 GLY 67 2HA GLY 67 0.845 5.640 -3.137 491 H HIS 68 H HIS 68 0.227 8.745 -4.610 492 HA HIS 68 HA HIS 68 -2.421 9.074 -3.651 493 HB2 HIS 68 1HB HIS 68 -0.830 10.258 -5.899 494 HB3 HIS 68 2HB HIS 68 -2.561 10.563 -5.800 495 HD1 HIS 68 1HD HIS 68 -0.893 10.309 -2.538 496 HD2 HIS 68 2HD HIS 68 -1.786 13.293 -5.288 497 HE1 HIS 68 1HE HIS 68 -0.599 12.477 -1.297 498 HE2 HIS 68 2HE HIS 68 -1.227 14.265 -2.957 499 H LYS 69 H LYS 69 -1.189 6.729 -5.594 500 HA LYS 69 HA LYS 69 -3.749 6.366 -7.010 501 HB2 LYS 69 1HB LYS 69 -0.926 5.817 -7.850 502 HB3 LYS 69 2HB LYS 69 -2.235 4.853 -8.522 503 HG2 LYS 69 1HG LYS 69 -2.392 7.834 -8.587 504 HG3 LYS 69 2HG LYS 69 -1.415 6.967 -9.775 505 HD2 LYS 69 1HD LYS 69 -3.277 5.849 -10.655 506 HD3 LYS 69 2HD LYS 69 -4.275 6.218 -9.247 507 HE2 LYS 69 1HE LYS 69 -4.848 7.558 -11.258 508 HE3 LYS 69 2HE LYS 69 -4.389 8.534 -9.863 509 HZ1 LYS 69 1HZ LYS 69 -2.046 8.094 -11.204 510 HZ2 LYS 69 2HZ LYS 69 -2.950 9.523 -11.212 511 HZ3 LYS 69 3HZ LYS 69 -3.170 8.377 -12.436 512 H GLN 70 H GLN 70 -3.685 3.827 -7.772 513 HA GLN 70 HA GLN 70 -4.113 2.398 -5.337 514 HB2 GLN 70 1HB GLN 70 -5.462 2.084 -7.418 515 HB3 GLN 70 2HB GLN 70 -4.065 1.312 -8.156 516 HG2 GLN 70 1HG GLN 70 -4.121 -0.414 -6.408 517 HG3 GLN 70 2HG GLN 70 -5.559 0.345 -5.729 518 HE21 GLN 70 1HE2 GLN 70 -4.833 -2.285 -7.187 519 HE22 GLN 70 2HE2 GLN 70 -6.128 -2.469 -8.316 520 H THR 71 H THR 71 -1.363 3.030 -7.117 521 HA THR 71 HA THR 71 0.006 0.693 -5.955 522 HB THR 71 HB THR 71 1.672 1.127 -7.938 523 HG1 THR 71 1HG THR 71 0.133 1.659 -9.813 524 HG21 THR 71 1HG2 THR 71 0.814 -0.735 -8.955 525 HG22 THR 71 2HG2 THR 71 -0.849 -0.155 -8.857 526 HG23 THR 71 3HG2 THR 71 -0.060 -0.816 -7.426 527 H LEU 72 H LEU 72 1.839 1.079 -4.828 528 HA LEU 72 HA LEU 72 2.749 3.877 -4.682 529 HB2 LEU 72 1HB LEU 72 1.701 2.532 -2.653 530 HB3 LEU 72 2HB LEU 72 3.354 1.936 -2.513 531 HG LEU 72 HG LEU 72 2.330 4.736 -2.157 532 HD11 LEU 72 1HD1 LEU 72 4.234 3.218 -0.413 533 HD12 LEU 72 2HD1 LEU 72 2.493 2.967 -0.295 534 HD13 LEU 72 3HD1 LEU 72 3.174 4.566 0.002 535 HD21 LEU 72 1HD2 LEU 72 4.161 5.343 -3.357 536 HD22 LEU 72 2HD2 LEU 72 5.014 3.833 -3.037 537 HD23 LEU 72 3HD2 LEU 72 4.942 5.085 -1.797 538 H ASN 73 H ASN 73 4.654 4.218 -5.595 539 HA ASN 73 HA ASN 73 6.542 1.986 -5.838 540 HB2 ASN 73 1HB ASN 73 5.974 4.418 -7.443 541 HB3 ASN 73 2HB ASN 73 7.654 3.894 -7.373 542 HD21 ASN 73 1HD2 ASN 73 4.555 2.173 -7.520 543 HD22 ASN 73 2HD2 ASN 73 4.954 1.225 -8.909 544 H LEU 74 H LEU 74 8.445 1.976 -4.803 545 HA LEU 74 HA LEU 74 9.136 4.353 -3.212 546 HB2 LEU 74 1HB LEU 74 9.368 1.433 -2.745 547 HB3 LEU 74 2HB LEU 74 10.631 2.465 -2.077 548 HG LEU 74 HG LEU 74 9.001 2.051 -0.376 549 HD11 LEU 74 1HD1 LEU 74 8.741 4.196 0.361 550 HD12 LEU 74 2HD1 LEU 74 8.230 4.797 -1.216 551 HD13 LEU 74 3HD1 LEU 74 9.933 4.455 -0.912 552 HD21 LEU 74 1HD2 LEU 74 7.148 2.305 -2.574 553 HD22 LEU 74 2HD2 LEU 74 6.666 3.319 -1.214 554 HD23 LEU 74 3HD2 LEU 74 6.912 1.587 -0.980 555 H SER 75 H SER 75 11.340 4.973 -3.033 556 HA SER 75 HA SER 75 13.244 3.775 -4.882 557 HB2 SER 75 1HB SER 75 13.672 5.727 -6.139 558 HB3 SER 75 2HB SER 75 11.913 5.626 -6.070 559 HG SER 75 HG SER 75 12.172 7.055 -4.146 560 H GLN 76 H GLN 76 15.436 4.465 -4.518 561 HA GLN 76 HA GLN 76 17.200 4.800 -3.115 562 HB2 GLN 76 1HB GLN 76 15.473 7.166 -2.380 563 HB3 GLN 76 2HB GLN 76 17.137 6.967 -1.846 564 HG2 GLN 76 1HG GLN 76 17.855 6.922 -4.204 565 HG3 GLN 76 2HG GLN 76 16.187 7.222 -4.690 566 HE21 GLN 76 1HE2 GLN 76 18.733 8.546 -2.611 567 HE22 GLN 76 2HE2 GLN 76 18.352 10.205 -2.907 568 H LEU 77 H LEU 77 15.233 2.983 -2.165 569 HA LEU 77 HA LEU 77 14.666 3.473 0.588 570 HB2 LEU 77 1HB LEU 77 14.527 1.059 -1.183 571 HB3 LEU 77 2HB LEU 77 14.240 0.934 0.551 572 HG LEU 77 HG LEU 77 12.657 2.727 -1.283 573 HD11 LEU 77 1HD1 LEU 77 10.883 0.899 -0.808 574 HD12 LEU 77 2HD1 LEU 77 12.279 -0.134 -0.506 575 HD13 LEU 77 3HD1 LEU 77 12.077 0.637 -2.079 576 HD21 LEU 77 1HD2 LEU 77 12.413 3.538 0.885 577 HD22 LEU 77 2HD2 LEU 77 12.456 1.926 1.598 578 HD23 LEU 77 3HD2 LEU 77 11.034 2.454 0.697 579 H SER 78 H SER 78 15.466 2.105 2.363 580 HA SER 78 HA SER 78 18.307 1.410 1.991 581 HB2 SER 78 1HB SER 78 16.947 2.657 4.389 582 HB3 SER 78 2HB SER 78 18.602 2.050 4.400 583 HG SER 78 HG SER 78 18.606 4.259 3.965 584 H VAL 79 H VAL 79 19.108 -0.110 3.747 585 HA VAL 79 HA VAL 79 17.552 -2.484 3.669 586 HB VAL 79 HB VAL 79 20.047 -1.806 5.227 587 HG11 VAL 79 1HG1 VAL 79 18.259 -4.055 5.476 588 HG12 VAL 79 2HG1 VAL 79 19.864 -4.573 4.958 589 HG13 VAL 79 3HG1 VAL 79 19.675 -3.633 6.439 590 HG21 VAL 79 1HG2 VAL 79 19.659 -3.496 2.759 591 HG22 VAL 79 2HG2 VAL 79 20.257 -1.837 2.766 592 HG23 VAL 79 3HG2 VAL 79 21.191 -3.114 3.544 593 H GLY 80 H GLY 80 15.868 -2.960 4.908 594 HA2 GLY 80 1HA GLY 80 15.759 -3.151 7.615 595 HA3 GLY 80 2HA GLY 80 15.320 -1.475 7.318 596 H LEU 81 H LEU 81 13.423 -2.712 8.544 597 HA LEU 81 HA LEU 81 11.591 -3.898 6.593 598 HB2 LEU 81 1HB LEU 81 11.933 -5.074 8.713 599 HB3 LEU 81 2HB LEU 81 11.372 -3.653 9.591 600 HG LEU 81 HG LEU 81 9.150 -3.942 8.485 601 HD11 LEU 81 1HD1 LEU 81 9.448 -6.720 7.854 602 HD12 LEU 81 2HD1 LEU 81 10.575 -5.761 6.894 603 HD13 LEU 81 3HD1 LEU 81 8.849 -5.402 6.846 604 HD21 LEU 81 1HD2 LEU 81 10.377 -5.763 10.448 605 HD22 LEU 81 2HD2 LEU 81 8.849 -6.303 9.754 606 HD23 LEU 81 3HD2 LEU 81 8.942 -4.747 10.581 607 H TYR 82 H TYR 82 9.872 -2.847 5.814 608 HA TYR 82 HA TYR 82 9.015 -0.369 7.148 609 HB2 TYR 82 1HB TYR 82 9.261 -0.715 4.154 610 HB3 TYR 82 2HB TYR 82 8.770 0.744 5.007 611 HD1 TYR 82 1HD TYR 82 11.596 -1.403 4.096 612 HD2 TYR 82 2HD TYR 82 10.408 2.141 6.128 613 HE1 TYR 82 1HE TYR 82 13.942 -0.670 4.176 614 HE2 TYR 82 2HE TYR 82 12.750 2.885 6.212 615 HH TYR 82 HH TYR 82 15.374 0.799 5.315 616 H VAL 83 H VAL 83 6.888 -0.222 7.473 617 HA VAL 83 HA VAL 83 5.151 -2.181 6.124 618 HB VAL 83 HB VAL 83 4.700 -0.784 8.765 619 HG11 VAL 83 1HG1 VAL 83 3.128 -2.987 7.432 620 HG12 VAL 83 2HG1 VAL 83 2.800 -2.282 9.016 621 HG13 VAL 83 3HG1 VAL 83 2.626 -1.302 7.560 622 HG21 VAL 83 1HG2 VAL 83 6.485 -2.739 8.379 623 HG22 VAL 83 2HG2 VAL 83 5.536 -2.587 9.857 624 HG23 VAL 83 3HG2 VAL 83 5.035 -3.718 8.600 625 H PHE 84 H PHE 84 4.177 -1.229 4.447 626 HA PHE 84 HA PHE 84 3.315 1.555 4.661 627 HB2 PHE 84 1HB PHE 84 3.156 -0.235 2.234 628 HB3 PHE 84 2HB PHE 84 3.055 1.522 2.280 629 HD1 PHE 84 2HD PHE 84 5.141 2.775 3.142 630 HD2 PHE 84 1HD PHE 84 5.179 -1.268 1.810 631 HE1 PHE 84 2HE PHE 84 7.569 2.924 2.769 632 HE2 PHE 84 1HE PHE 84 7.606 -1.126 1.436 633 HZ PHE 84 HZ PHE 84 8.804 0.972 1.914 634 H LYS 85 H LYS 85 1.363 1.885 5.484 635 HA LYS 85 HA LYS 85 -0.742 -0.109 5.035 636 HB2 LYS 85 1HB LYS 85 -0.345 0.453 7.365 637 HB3 LYS 85 2HB LYS 85 -0.552 2.165 7.019 638 HG2 LYS 85 1HG LYS 85 -2.907 1.576 6.275 639 HG3 LYS 85 2HG LYS 85 -2.632 0.001 7.022 640 HD2 LYS 85 1HD LYS 85 -3.720 1.345 8.648 641 HD3 LYS 85 2HD LYS 85 -2.027 1.238 9.135 642 HE2 LYS 85 1HE LYS 85 -2.868 3.508 7.405 643 HE3 LYS 85 2HE LYS 85 -3.319 3.542 9.108 644 HZ1 LYS 85 1HZ LYS 85 -0.602 2.809 8.830 645 HZ2 LYS 85 2HZ LYS 85 -1.269 4.131 9.649 646 HZ3 LYS 85 3HZ LYS 85 -0.888 4.258 8.005 647 H VAL 86 H VAL 86 -2.224 0.267 3.536 648 HA VAL 86 HA VAL 86 -2.565 2.999 2.525 649 HB VAL 86 HB VAL 86 -2.084 1.464 0.772 650 HG11 VAL 86 1HG1 VAL 86 -3.480 -0.543 0.361 651 HG12 VAL 86 2HG1 VAL 86 -2.575 -0.621 1.874 652 HG13 VAL 86 3HG1 VAL 86 -4.298 -0.247 1.895 653 HG21 VAL 86 1HG2 VAL 86 -4.530 2.877 0.911 654 HG22 VAL 86 2HG2 VAL 86 -3.585 2.468 -0.521 655 HG23 VAL 86 3HG2 VAL 86 -4.838 1.368 0.052 656 H THR 87 H THR 87 -4.229 4.144 3.229 657 HA THR 87 HA THR 87 -6.544 2.758 4.375 658 HB THR 87 HB THR 87 -6.261 5.725 4.520 659 HG1 THR 87 1HG THR 87 -4.519 3.857 5.658 660 HG21 THR 87 1HG2 THR 87 -7.281 3.557 6.350 661 HG22 THR 87 2HG2 THR 87 -8.218 4.797 5.515 662 HG23 THR 87 3HG2 THR 87 -7.136 5.246 6.834 663 H VAL 88 H VAL 88 -8.061 2.329 2.898 664 HA VAL 88 HA VAL 88 -8.769 4.450 0.977 665 HB VAL 88 HB VAL 88 -9.076 1.459 0.686 666 HG11 VAL 88 1HG1 VAL 88 -9.752 2.172 -1.692 667 HG12 VAL 88 2HG1 VAL 88 -10.948 2.320 -0.403 668 HG13 VAL 88 3HG1 VAL 88 -10.080 3.747 -0.970 669 HG21 VAL 88 1HG2 VAL 88 -7.645 2.538 -1.457 670 HG22 VAL 88 2HG2 VAL 88 -6.984 3.312 -0.017 671 HG23 VAL 88 3HG2 VAL 88 -7.011 1.553 -0.138 672 H SER 89 H SER 89 -10.488 5.494 1.768 673 HA SER 89 HA SER 89 -12.825 3.892 2.540 674 HB2 SER 89 1HB SER 89 -13.316 5.413 4.389 675 HB3 SER 89 2HB SER 89 -11.719 4.698 4.602 676 HG SER 89 HG SER 89 -11.862 7.114 3.226 677 H SER 90 H SER 90 -14.862 4.989 2.295 678 HA SER 90 HA SER 90 -14.760 7.348 0.540 679 HB2 SER 90 1HB SER 90 -16.145 4.731 0.087 680 HB3 SER 90 2HB SER 90 -16.878 6.209 -0.537 681 HG SER 90 HG SER 90 -14.164 5.816 -1.028 682 H GLU 91 H GLU 91 -17.165 8.165 0.249 683 HA GLU 91 HA GLU 91 -17.996 9.327 2.574 684 HB2 GLU 91 1HB GLU 91 -20.204 9.653 1.478 685 HB3 GLU 91 2HB GLU 91 -18.844 10.072 0.446 686 HG2 GLU 91 1HG GLU 91 -19.055 7.935 -0.711 687 HG3 GLU 91 2HG GLU 91 -20.413 7.506 0.327 688 H ASN 92 H ASN 92 -19.202 6.283 1.199 689 HA ASN 92 HA ASN 92 -20.338 5.648 3.843 690 HB2 ASN 92 1HB ASN 92 -21.882 4.111 2.355 691 HB3 ASN 92 2HB ASN 92 -22.270 5.813 2.590 692 HD21 ASN 92 1HD2 ASN 92 -23.257 6.304 0.733 693 HD22 ASN 92 2HD2 ASN 92 -22.547 6.149 -0.834 694 H ALA 93 H ALA 93 -17.678 5.064 2.950 695 HA ALA 93 HA ALA 93 -17.720 2.187 3.346 696 HB1 ALA 93 1HB ALA 93 -16.811 1.522 1.385 697 HB2 ALA 93 2HB ALA 93 -17.631 2.963 0.785 698 HB3 ALA 93 3HB ALA 93 -15.910 3.023 1.166 699 H PHE 94 H PHE 94 -15.552 1.320 3.817 700 HA PHE 94 HA PHE 94 -13.370 3.084 4.316 701 HB2 PHE 94 1HB PHE 94 -14.487 3.856 6.229 702 HB3 PHE 94 2HB PHE 94 -15.137 2.263 6.604 703 HD1 PHE 94 1HD PHE 94 -11.624 3.025 5.755 704 HD2 PHE 94 2HD PHE 94 -14.401 2.039 8.826 705 HE1 PHE 94 1HE PHE 94 -9.759 2.635 7.311 706 HE2 PHE 94 2HE PHE 94 -12.541 1.648 10.388 707 HZ PHE 94 HZ PHE 94 -10.216 1.946 9.632 708 H GLY 95 H GLY 95 -11.614 1.890 4.008 709 HA2 GLY 95 1HA GLY 95 -11.282 -0.675 5.261 710 HA3 GLY 95 2HA GLY 95 -11.516 -0.795 3.523 711 H GLU 96 H GLU 96 -9.181 -1.175 5.514 712 HA GLU 96 HA GLU 96 -7.203 0.132 3.790 713 HB2 GLU 96 1HB GLU 96 -5.832 0.721 5.754 714 HB3 GLU 96 2HB GLU 96 -7.376 1.562 5.743 715 HG2 GLU 96 1HG GLU 96 -7.209 0.923 7.937 716 HG3 GLU 96 2HG GLU 96 -8.159 -0.396 7.255 717 H GLY 97 H GLY 97 -5.027 -0.829 3.999 718 HA2 GLY 97 1HA GLY 97 -5.140 -3.630 4.925 719 HA3 GLY 97 2HA GLY 97 -4.483 -3.216 3.348 720 H PHE 98 H PHE 98 -2.799 -4.596 4.744 721 HA PHE 98 HA PHE 98 -0.807 -2.636 5.615 722 HB2 PHE 98 1HB PHE 98 -1.887 -4.910 7.229 723 HB3 PHE 98 2HB PHE 98 -0.188 -4.479 7.399 724 HD1 PHE 98 2HD PHE 98 -3.627 -3.119 7.632 725 HD2 PHE 98 1HD PHE 98 0.461 -2.678 8.734 726 HE1 PHE 98 2HE PHE 98 -4.246 -1.325 9.197 727 HE2 PHE 98 1HE PHE 98 -0.152 -0.884 10.302 728 HZ PHE 98 HZ PHE 98 -2.508 -0.204 10.535 729 H VAL 99 H VAL 99 1.115 -2.984 4.709 730 HA VAL 99 HA VAL 99 1.839 -5.697 3.865 731 HB VAL 99 HB VAL 99 0.847 -4.372 1.933 732 HG11 VAL 99 1HG1 VAL 99 3.452 -2.992 1.639 733 HG12 VAL 99 2HG1 VAL 99 1.842 -2.505 1.105 734 HG13 VAL 99 3HG1 VAL 99 2.306 -2.316 2.796 735 HG21 VAL 99 1HG2 VAL 99 1.962 -6.156 1.101 736 HG22 VAL 99 2HG2 VAL 99 3.075 -4.912 0.532 737 HG23 VAL 99 3HG2 VAL 99 3.430 -5.802 2.013 738 H ASN 100 H ASN 100 3.904 -6.204 4.278 739 HA ASN 100 HA ASN 100 5.683 -4.034 5.165 740 HB2 ASN 100 1HB ASN 100 5.839 -6.979 5.848 741 HB3 ASN 100 2HB ASN 100 6.844 -5.696 6.515 742 HD21 ASN 100 1HD2 ASN 100 6.182 -6.253 8.606 743 HD22 ASN 100 2HD2 ASN 100 4.621 -5.818 9.205 744 H VAL 101 H VAL 101 7.773 -3.902 4.400 745 HA VAL 101 HA VAL 101 8.535 -5.785 2.271 746 HB VAL 101 HB VAL 101 8.683 -2.774 2.153 747 HG11 VAL 101 1HG1 VAL 101 10.036 -4.851 0.451 748 HG12 VAL 101 2HG1 VAL 101 9.756 -3.198 -0.101 749 HG13 VAL 101 3HG1 VAL 101 10.768 -3.498 1.312 750 HG21 VAL 101 1HG2 VAL 101 7.244 -4.868 0.545 751 HG22 VAL 101 2HG2 VAL 101 6.554 -3.518 1.446 752 HG23 VAL 101 3HG2 VAL 101 7.472 -3.216 -0.030 753 H THR 102 H THR 102 10.560 -6.527 2.407 754 HA THR 102 HA THR 102 12.352 -5.259 4.371 755 HB THR 102 HB THR 102 12.560 -8.098 3.370 756 HG1 THR 102 1HG THR 102 10.837 -8.433 4.553 757 HG21 THR 102 1HG2 THR 102 14.452 -8.098 4.545 758 HG22 THR 102 2HG2 THR 102 13.521 -7.759 6.004 759 HG23 THR 102 3HG2 THR 102 14.173 -6.431 5.045 760 H VAL 103 H VAL 103 14.272 -4.487 3.731 761 HA VAL 103 HA VAL 103 15.054 -4.930 0.928 762 HB VAL 103 HB VAL 103 15.767 -2.654 2.783 763 HG11 VAL 103 1HG1 VAL 103 16.746 -3.439 0.082 764 HG12 VAL 103 2HG1 VAL 103 16.570 -1.724 0.459 765 HG13 VAL 103 3HG1 VAL 103 17.625 -2.741 1.442 766 HG21 VAL 103 1HG2 VAL 103 13.463 -2.556 2.013 767 HG22 VAL 103 2HG2 VAL 103 14.422 -1.295 1.240 768 HG23 VAL 103 3HG2 VAL 103 13.995 -2.752 0.343 769 H LYS 104 H LYS 104 16.427 -6.622 0.925 770 HA LYS 104 HA LYS 104 18.341 -7.072 3.012 771 HB2 LYS 104 1HB LYS 104 18.184 -8.351 0.277 772 HB3 LYS 104 2HB LYS 104 19.081 -8.956 1.664 773 HG2 LYS 104 1HG LYS 104 16.138 -8.546 1.896 774 HG3 LYS 104 2HG LYS 104 16.758 -9.963 1.045 775 HD2 LYS 104 1HD LYS 104 18.228 -10.288 3.149 776 HD3 LYS 104 2HD LYS 104 17.080 -9.193 3.924 777 HE2 LYS 104 1HE LYS 104 16.208 -11.300 4.384 778 HE3 LYS 104 2HE LYS 104 15.275 -10.772 2.985 779 HZ1 LYS 104 1HZ LYS 104 17.210 -12.012 1.731 780 HZ2 LYS 104 2HZ LYS 104 15.853 -12.843 2.304 781 HZ3 LYS 104 3HZ LYS 104 17.297 -12.873 3.185 782 HA PRO 105 HA PRO 105 21.712 -4.677 1.527 783 HB2 PRO 105 1HB PRO 105 23.795 -6.140 2.470 784 HB3 PRO 105 2HB PRO 105 22.757 -5.162 3.514 785 HG2 PRO 105 1HG PRO 105 22.677 -8.108 2.988 786 HG3 PRO 105 2HG PRO 105 22.505 -7.241 4.525 787 HD2 PRO 105 1HD PRO 105 20.380 -8.198 3.147 788 HD3 PRO 105 2HD PRO 105 20.295 -6.722 4.130 789 H ALA 106 H ALA 106 23.230 -4.577 -0.119 790 HA ALA 106 HA ALA 106 22.927 -6.276 -2.305 791 HB1 ALA 106 1HB ALA 106 24.537 -3.979 -1.628 792 HB2 ALA 106 2HB ALA 106 25.446 -5.131 -2.606 793 HB3 ALA 106 3HB ALA 106 23.911 -4.493 -3.195 794 H ARG 107 H ARG 107 23.380 -8.386 -2.279 795 HA ARG 107 HA ARG 107 25.348 -9.581 -0.634 796 HB2 ARG 107 1HB ARG 107 23.919 -10.657 -3.071 797 HB3 ARG 107 2HB ARG 107 24.898 -11.624 -1.977 798 HG2 ARG 107 1HG ARG 107 23.337 -10.883 -0.132 799 HG3 ARG 107 2HG ARG 107 22.292 -10.249 -1.405 800 HD2 ARG 107 1HD ARG 107 21.398 -12.338 -1.168 801 HD3 ARG 107 2HD ARG 107 22.615 -12.668 -2.400 802 HE ARG 107 HE ARG 107 23.672 -14.026 -0.906 803 HH11 ARG 107 2HH1 ARG 107 21.615 -11.834 0.850 804 HH12 ARG 107 1HH1 ARG 107 21.914 -12.578 2.386 805 HH21 ARG 107 2HH2 ARG 107 24.074 -15.013 1.110 806 HH22 ARG 107 1HH2 ARG 107 23.314 -14.385 2.533 807 H SER 108 H SER 108 27.460 -9.880 -0.936 808 HA SER 108 HA SER 108 28.651 -10.182 -3.512 809 HB2 SER 108 1HB SER 108 29.273 -7.629 -2.006 810 HB3 SER 108 2HB SER 108 30.042 -8.169 -3.499 811 HG SER 108 HG SER 108 28.288 -7.654 -4.613 812 H GLY 109 H GLY 109 30.601 -11.182 -3.369 813 HA2 GLY 109 1HA GLY 109 32.413 -12.226 -2.422 814 HA3 GLY 109 2HA GLY 109 32.391 -10.963 -1.200 815 HA PRO 110 HA PRO 110 31.506 -14.874 1.027 816 HB2 PRO 110 1HB PRO 110 32.864 -14.152 3.264 817 HB3 PRO 110 2HB PRO 110 33.648 -14.883 1.858 818 HG2 PRO 110 1HG PRO 110 33.491 -12.002 2.655 819 HG3 PRO 110 2HG PRO 110 34.876 -12.916 2.030 820 HD2 PRO 110 1HD PRO 110 33.390 -11.277 0.470 821 HD3 PRO 110 2HD PRO 110 34.162 -12.749 -0.155 822 H SER 111 H SER 111 29.365 -14.660 1.487 823 HA SER 111 HA SER 111 28.007 -12.570 2.606 824 HB2 SER 111 1HB SER 111 26.263 -14.113 3.179 825 HB3 SER 111 2HB SER 111 27.021 -14.711 1.703 826 HG SER 111 HG SER 111 27.084 -16.485 2.871 827 H SER 112 H SER 112 27.087 -12.295 4.777 828 HA SER 112 HA SER 112 29.156 -12.374 6.759 829 HB2 SER 112 1HB SER 112 27.672 -10.453 6.663 830 HB3 SER 112 2HB SER 112 26.266 -11.486 6.923 831 HG SER 112 HG SER 112 26.949 -10.471 8.855 832 H GLY 113 H GLY 113 25.922 -13.844 6.484 833 HA2 GLY 113 1HA GLY 113 26.844 -16.176 7.931 834 HA3 GLY 113 2HA GLY 113 25.654 -15.211 8.791 Start of MODEL 11 1 H1 GLY 1 H GLY 1 -27.003 11.796 33.374 2 HA2 GLY 1 1HA GLY 1 -25.877 10.247 32.071 3 HA3 GLY 1 2HA GLY 1 -27.437 9.440 32.135 4 H SER 2 H SER 2 -25.097 10.442 30.090 5 HA SER 2 HA SER 2 -26.653 11.506 27.944 6 HB2 SER 2 1HB SER 2 -24.095 11.724 28.390 7 HB3 SER 2 2HB SER 2 -23.987 10.175 27.554 8 HG SER 2 HG SER 2 -23.936 11.432 25.856 9 H SER 3 H SER 3 -26.380 10.333 25.708 10 HA SER 3 HA SER 3 -26.450 7.494 25.681 11 HB2 SER 3 1HB SER 3 -28.783 7.099 25.267 12 HB3 SER 3 2HB SER 3 -28.664 8.029 26.761 13 HG SER 3 HG SER 3 -30.243 8.699 25.028 14 H GLY 4 H GLY 4 -26.079 6.766 23.662 15 HA2 GLY 4 1HA GLY 4 -26.952 8.218 21.330 16 HA3 GLY 4 2HA GLY 4 -25.221 8.332 21.611 17 H SER 5 H SER 5 -27.730 6.475 20.297 18 HA SER 5 HA SER 5 -25.835 4.289 19.744 19 HB2 SER 5 1HB SER 5 -28.767 4.093 20.444 20 HB3 SER 5 2HB SER 5 -27.875 2.772 19.689 21 HG SER 5 HG SER 5 -27.258 4.008 22.170 22 H SER 6 H SER 6 -25.542 3.846 17.657 23 HA SER 6 HA SER 6 -27.372 5.088 15.717 24 HB2 SER 6 1HB SER 6 -24.487 4.237 15.368 25 HB3 SER 6 2HB SER 6 -25.488 4.990 14.126 26 HG SER 6 HG SER 6 -24.238 6.561 15.141 27 H GLY 7 H GLY 7 -27.495 3.894 13.580 28 HA2 GLY 7 1HA GLY 7 -27.168 1.013 13.746 29 HA3 GLY 7 2HA GLY 7 -28.833 1.576 13.699 30 HA PRO 8 HA PRO 8 -28.765 1.911 9.333 31 HB2 PRO 8 1HB PRO 8 -29.932 4.309 8.824 32 HB3 PRO 8 2HB PRO 8 -30.831 2.912 9.427 33 HG2 PRO 8 1HG PRO 8 -29.766 5.271 10.930 34 HG3 PRO 8 2HG PRO 8 -31.338 4.465 11.082 35 HD2 PRO 8 1HD PRO 8 -29.300 4.019 12.807 36 HD3 PRO 8 2HD PRO 8 -30.482 2.765 12.382 37 H ARG 9 H ARG 9 -26.834 3.902 11.177 38 HA ARG 9 HA ARG 9 -25.726 5.366 8.900 39 HB2 ARG 9 1HB ARG 9 -26.224 6.370 11.251 40 HB3 ARG 9 2HB ARG 9 -24.719 5.590 11.717 41 HG2 ARG 9 1HG ARG 9 -23.447 6.922 10.276 42 HG3 ARG 9 2HG ARG 9 -24.865 7.437 9.361 43 HD2 ARG 9 1HD ARG 9 -24.324 9.286 10.687 44 HD3 ARG 9 2HD ARG 9 -25.657 8.510 11.541 45 HE ARG 9 HE ARG 9 -23.482 7.410 12.696 46 HH11 ARG 9 2HH1 ARG 9 -24.422 10.700 12.057 47 HH12 ARG 9 1HH1 ARG 9 -23.585 11.344 13.431 48 HH21 ARG 9 2HH2 ARG 9 -22.377 8.245 14.509 49 HH22 ARG 9 1HH2 ARG 9 -22.422 9.946 14.824 50 H THR 10 H THR 10 -25.288 2.732 8.583 51 HA THR 10 HA THR 10 -22.556 2.218 9.533 52 HB THR 10 HB THR 10 -23.007 -0.112 8.565 53 HG1 THR 10 1HG THR 10 -25.111 0.977 7.611 54 HG21 THR 10 1HG2 THR 10 -23.382 0.926 11.051 55 HG22 THR 10 2HG2 THR 10 -23.544 -0.784 10.649 56 HG23 THR 10 3HG2 THR 10 -24.974 0.245 10.720 57 H VAL 11 H VAL 11 -21.015 1.282 8.006 58 HA VAL 11 HA VAL 11 -21.437 2.286 5.266 59 HB VAL 11 HB VAL 11 -19.057 2.708 5.096 60 HG11 VAL 11 1HG1 VAL 11 -20.841 4.110 6.759 61 HG12 VAL 11 2HG1 VAL 11 -19.277 4.120 7.576 62 HG13 VAL 11 3HG1 VAL 11 -19.416 4.735 5.928 63 HG21 VAL 11 1HG2 VAL 11 -18.403 0.846 6.650 64 HG22 VAL 11 2HG2 VAL 11 -17.509 2.351 6.868 65 HG23 VAL 11 3HG2 VAL 11 -18.799 1.921 7.991 66 H LYS 12 H LYS 12 -20.098 1.163 3.607 67 HA LYS 12 HA LYS 12 -20.457 -1.679 3.855 68 HB2 LYS 12 1HB LYS 12 -19.707 0.211 1.684 69 HB3 LYS 12 2HB LYS 12 -19.205 -1.464 1.503 70 HG2 LYS 12 1HG LYS 12 -21.437 -2.237 1.535 71 HG3 LYS 12 2HG LYS 12 -22.045 -0.674 2.085 72 HD2 LYS 12 1HD LYS 12 -22.548 -0.531 -0.143 73 HD3 LYS 12 2HD LYS 12 -20.923 0.158 -0.157 74 HE2 LYS 12 1HE LYS 12 -21.221 -2.784 -0.490 75 HE3 LYS 12 2HE LYS 12 -21.640 -1.742 -1.848 76 HZ1 LYS 12 1HZ LYS 12 -19.041 -1.611 -0.425 77 HZ2 LYS 12 2HZ LYS 12 -19.457 -0.845 -1.874 78 HZ3 LYS 12 3HZ LYS 12 -19.296 -2.528 -1.824 79 H GLU 13 H GLU 13 -19.001 -3.119 4.504 80 HA GLU 13 HA GLU 13 -16.355 -2.286 5.236 81 HB2 GLU 13 1HB GLU 13 -17.618 -5.034 5.235 82 HB3 GLU 13 2HB GLU 13 -16.071 -4.630 5.965 83 HG2 GLU 13 1HG GLU 13 -17.045 -3.411 7.674 84 HG3 GLU 13 2HG GLU 13 -18.551 -3.183 6.787 85 H LEU 14 H LEU 14 -14.955 -1.901 3.629 86 HA LEU 14 HA LEU 14 -14.919 -3.568 1.254 87 HB2 LEU 14 1HB LEU 14 -13.152 -1.249 2.019 88 HB3 LEU 14 2HB LEU 14 -13.233 -2.018 0.435 89 HG LEU 14 HG LEU 14 -15.551 -0.575 1.710 90 HD11 LEU 14 1HD1 LEU 14 -14.390 0.778 -0.538 91 HD12 LEU 14 2HD1 LEU 14 -13.187 0.562 0.732 92 HD13 LEU 14 3HD1 LEU 14 -14.709 1.379 1.089 93 HD21 LEU 14 1HD2 LEU 14 -15.617 -2.373 -0.287 94 HD22 LEU 14 2HD2 LEU 14 -15.287 -0.907 -1.210 95 HD23 LEU 14 3HD2 LEU 14 -16.715 -0.997 -0.178 96 H THR 15 H THR 15 -13.198 -4.848 0.589 97 HA THR 15 HA THR 15 -11.488 -5.796 2.765 98 HB THR 15 HB THR 15 -12.022 -7.010 0.046 99 HG1 THR 15 1HG THR 15 -12.879 -7.895 2.614 100 HG21 THR 15 1HG2 THR 15 -10.262 -7.806 2.328 101 HG22 THR 15 2HG2 THR 15 -9.951 -7.877 0.594 102 HG23 THR 15 3HG2 THR 15 -11.029 -9.053 1.345 103 H VAL 16 H VAL 16 -9.784 -4.397 2.872 104 HA VAL 16 HA VAL 16 -8.317 -3.756 0.425 105 HB VAL 16 HB VAL 16 -7.936 -2.742 3.246 106 HG11 VAL 16 1HG1 VAL 16 -6.234 -1.375 2.510 107 HG12 VAL 16 2HG1 VAL 16 -5.939 -2.836 1.565 108 HG13 VAL 16 3HG1 VAL 16 -6.753 -1.456 0.826 109 HG21 VAL 16 1HG2 VAL 16 -9.671 -1.942 1.048 110 HG22 VAL 16 2HG2 VAL 16 -9.727 -1.497 2.753 111 HG23 VAL 16 3HG2 VAL 16 -8.665 -0.625 1.648 112 H SER 17 H SER 17 -6.552 -4.827 -0.157 113 HA SER 17 HA SER 17 -4.793 -5.984 1.847 114 HB2 SER 17 1HB SER 17 -6.463 -7.764 1.346 115 HB3 SER 17 2HB SER 17 -5.976 -7.701 -0.348 116 HG SER 17 HG SER 17 -4.365 -8.939 0.144 117 H ALA 18 H ALA 18 -2.810 -5.394 1.305 118 HA ALA 18 HA ALA 18 -2.128 -4.263 -1.181 119 HB1 ALA 18 1HB ALA 18 -0.165 -3.742 -0.208 120 HB2 ALA 18 2HB ALA 18 -0.993 -4.249 1.266 121 HB3 ALA 18 3HB ALA 18 0.076 -5.371 0.425 122 H GLY 19 H GLY 19 -1.695 -7.511 0.140 123 HA2 GLY 19 1HA GLY 19 -1.925 -9.137 -1.877 124 HA3 GLY 19 2HA GLY 19 -0.429 -8.359 -2.371 125 H ASP 20 H ASP 20 1.343 -8.398 -0.687 126 HA ASP 20 HA ASP 20 1.345 -10.296 1.391 127 HB2 ASP 20 1HB ASP 20 1.205 -11.788 -0.685 128 HB3 ASP 20 2HB ASP 20 2.854 -11.272 -1.029 129 H ASN 21 H ASN 21 3.753 -10.921 1.929 130 HA ASN 21 HA ASN 21 5.136 -8.483 2.320 131 HB2 ASN 21 1HB ASN 21 6.908 -9.891 3.310 132 HB3 ASN 21 2HB ASN 21 5.312 -10.318 3.921 133 HD21 ASN 21 1HD2 ASN 21 4.421 -12.288 3.399 134 HD22 ASN 21 2HD2 ASN 21 5.331 -13.560 2.664 135 H LEU 22 H LEU 22 6.815 -7.567 1.263 136 HA LEU 22 HA LEU 22 7.791 -8.951 -1.149 137 HB2 LEU 22 1HB LEU 22 7.645 -5.976 -0.699 138 HB3 LEU 22 2HB LEU 22 8.081 -6.805 -2.192 139 HG LEU 22 HG LEU 22 5.917 -6.088 -2.599 140 HD11 LEU 22 1HD1 LEU 22 6.233 -8.534 -2.970 141 HD12 LEU 22 2HD1 LEU 22 4.558 -8.047 -2.717 142 HD13 LEU 22 3HD1 LEU 22 5.458 -8.817 -1.411 143 HD21 LEU 22 1HD2 LEU 22 4.080 -6.246 -0.985 144 HD22 LEU 22 2HD2 LEU 22 5.416 -5.278 -0.361 145 HD23 LEU 22 3HD2 LEU 22 5.187 -6.934 0.203 146 H ILE 23 H ILE 23 9.958 -9.056 -1.522 147 HA ILE 23 HA ILE 23 11.745 -7.703 0.379 148 HB ILE 23 HB ILE 23 11.996 -10.595 -0.458 149 HG12 ILE 23 1HG1 ILE 23 11.500 -9.482 2.306 150 HG13 ILE 23 2HG1 ILE 23 10.207 -10.034 1.248 151 HG21 ILE 23 1HG2 ILE 23 14.139 -9.342 -0.179 152 HG22 ILE 23 2HG2 ILE 23 13.685 -9.049 1.498 153 HG23 ILE 23 3HG2 ILE 23 13.938 -10.699 0.929 154 HD11 ILE 23 1HD1 ILE 23 12.451 -11.896 1.765 155 HD12 ILE 23 2HD1 ILE 23 11.300 -11.599 3.068 156 HD13 ILE 23 3HD1 ILE 23 10.736 -12.223 1.518 157 H ILE 24 H ILE 24 13.388 -6.682 -0.568 158 HA ILE 24 HA ILE 24 14.076 -7.423 -3.337 159 HB ILE 24 HB ILE 24 14.900 -4.889 -3.299 160 HG12 ILE 24 1HG1 ILE 24 12.544 -4.943 -1.400 161 HG13 ILE 24 2HG1 ILE 24 14.190 -4.466 -0.998 162 HG21 ILE 24 1HG2 ILE 24 13.329 -5.971 -4.884 163 HG22 ILE 24 2HG2 ILE 24 12.017 -5.637 -3.755 164 HG23 ILE 24 3HG2 ILE 24 12.900 -4.304 -4.499 165 HD11 ILE 24 1HD1 ILE 24 12.798 -2.520 -1.273 166 HD12 ILE 24 2HD1 ILE 24 13.998 -2.584 -2.564 167 HD13 ILE 24 3HD1 ILE 24 12.328 -3.048 -2.888 168 H THR 25 H THR 25 16.296 -6.867 -3.986 169 HA THR 25 HA THR 25 18.187 -6.862 -1.731 170 HB THR 25 HB THR 25 18.530 -8.544 -4.218 171 HG1 THR 25 1HG THR 25 16.870 -9.080 -2.384 172 HG21 THR 25 1HG2 THR 25 20.594 -7.749 -3.038 173 HG22 THR 25 2HG2 THR 25 20.414 -9.503 -3.091 174 HG23 THR 25 3HG2 THR 25 20.042 -8.622 -1.609 175 H LEU 26 H LEU 26 19.729 -5.368 -1.895 176 HA LEU 26 HA LEU 26 19.807 -3.401 -3.817 177 HB2 LEU 26 1HB LEU 26 21.929 -4.441 -1.965 178 HB3 LEU 26 2HB LEU 26 22.218 -3.069 -3.032 179 HG LEU 26 HG LEU 26 20.159 -3.210 -0.830 180 HD11 LEU 26 1HD1 LEU 26 22.692 -1.592 -1.054 181 HD12 LEU 26 2HD1 LEU 26 22.476 -3.018 -0.040 182 HD13 LEU 26 3HD1 LEU 26 21.540 -1.559 0.280 183 HD21 LEU 26 1HD2 LEU 26 20.296 -1.566 -3.159 184 HD22 LEU 26 2HD2 LEU 26 20.598 -0.573 -1.733 185 HD23 LEU 26 3HD2 LEU 26 19.122 -1.533 -1.844 186 HA PRO 27 HA PRO 27 21.616 -2.009 -4.582 187 HB2 PRO 27 1HB PRO 27 21.491 -0.958 -7.082 188 HB3 PRO 27 2HB PRO 27 23.009 -1.451 -6.322 189 HG2 PRO 27 1HG PRO 27 21.324 -2.918 -8.314 190 HG3 PRO 27 2HG PRO 27 23.087 -2.738 -8.256 191 HD2 PRO 27 1HD PRO 27 21.822 -4.975 -7.403 192 HD3 PRO 27 2HD PRO 27 23.330 -4.392 -6.669 193 H ASP 28 H ASP 28 19.504 -3.862 -6.625 194 HA ASP 28 HA ASP 28 17.474 -2.145 -7.256 195 HB2 ASP 28 1HB ASP 28 17.417 -5.032 -6.406 196 HB3 ASP 28 2HB ASP 28 15.940 -4.181 -6.849 197 H ASN 29 H ASN 29 16.938 -0.552 -5.841 198 HA ASN 29 HA ASN 29 15.874 -1.395 -3.225 199 HB2 ASN 29 1HB ASN 29 16.382 0.934 -2.470 200 HB3 ASN 29 2HB ASN 29 17.812 0.003 -2.904 201 HD21 ASN 29 1HD2 ASN 29 19.026 1.844 -3.279 202 HD22 ASN 29 2HD2 ASN 29 18.784 2.845 -4.666 203 H GLU 30 H GLU 30 14.529 -1.193 -5.882 204 HA GLU 30 HA GLU 30 12.501 0.829 -5.188 205 HB2 GLU 30 1HB GLU 30 13.195 -0.303 -7.904 206 HB3 GLU 30 2HB GLU 30 11.906 0.850 -7.586 207 HG2 GLU 30 1HG GLU 30 13.682 2.395 -6.678 208 HG3 GLU 30 2HG GLU 30 14.868 1.278 -7.350 209 H VAL 31 H VAL 31 10.395 0.230 -5.026 210 HA VAL 31 HA VAL 31 9.609 -2.472 -5.817 211 HB VAL 31 HB VAL 31 10.201 -2.899 -3.567 212 HG11 VAL 31 1HG1 VAL 31 8.932 -0.247 -3.017 213 HG12 VAL 31 2HG1 VAL 31 9.082 -1.447 -1.732 214 HG13 VAL 31 3HG1 VAL 31 10.524 -0.845 -2.550 215 HG21 VAL 31 1HG2 VAL 31 8.017 -3.343 -2.480 216 HG22 VAL 31 2HG2 VAL 31 7.234 -2.380 -3.733 217 HG23 VAL 31 3HG2 VAL 31 8.077 -3.868 -4.163 218 H GLU 32 H GLU 32 7.427 -2.712 -6.254 219 HA GLU 32 HA GLU 32 5.823 -0.242 -6.124 220 HB2 GLU 32 1HB GLU 32 6.282 -0.548 -8.412 221 HB3 GLU 32 2HB GLU 32 6.072 -2.291 -8.310 222 HG2 GLU 32 1HG GLU 32 3.742 -2.121 -8.218 223 HG3 GLU 32 2HG GLU 32 3.796 -0.403 -7.829 224 H LEU 33 H LEU 33 4.380 -0.519 -4.547 225 HA LEU 33 HA LEU 33 3.202 -3.153 -4.097 226 HB2 LEU 33 1HB LEU 33 2.694 -0.663 -2.496 227 HB3 LEU 33 2HB LEU 33 2.459 -2.340 -2.009 228 HG LEU 33 HG LEU 33 5.220 -1.425 -2.646 229 HD11 LEU 33 1HD1 LEU 33 3.673 -0.686 -0.177 230 HD12 LEU 33 2HD1 LEU 33 4.567 0.376 -1.264 231 HD13 LEU 33 3HD1 LEU 33 5.435 -0.753 -0.223 232 HD21 LEU 33 1HD2 LEU 33 5.128 -2.937 -0.314 233 HD22 LEU 33 2HD2 LEU 33 5.569 -3.500 -1.926 234 HD23 LEU 33 3HD2 LEU 33 3.904 -3.654 -1.362 235 H LYS 34 H LYS 34 0.921 -3.448 -3.940 236 HA LYS 34 HA LYS 34 -0.717 -1.376 -5.221 237 HB2 LYS 34 1HB LYS 34 -0.055 -3.037 -6.936 238 HB3 LYS 34 2HB LYS 34 -0.779 -4.308 -5.960 239 HG2 LYS 34 1HG LYS 34 -2.961 -3.428 -6.280 240 HG3 LYS 34 2HG LYS 34 -2.324 -1.951 -7.007 241 HD2 LYS 34 1HD LYS 34 -1.627 -3.100 -8.956 242 HD3 LYS 34 2HD LYS 34 -1.865 -4.676 -8.198 243 HE2 LYS 34 1HE LYS 34 -4.154 -4.587 -8.424 244 HE3 LYS 34 2HE LYS 34 -4.188 -2.825 -8.457 245 HZ1 LYS 34 1HZ LYS 34 -4.465 -3.123 -10.643 246 HZ2 LYS 34 2HZ LYS 34 -3.863 -4.703 -10.627 247 HZ3 LYS 34 3HZ LYS 34 -2.795 -3.392 -10.677 248 H ALA 35 H ALA 35 -2.671 -1.087 -4.310 249 HA ALA 35 HA ALA 35 -3.371 -2.826 -2.059 250 HB1 ALA 35 1HB ALA 35 -4.004 -0.974 -1.011 251 HB2 ALA 35 2HB ALA 35 -3.369 -0.053 -2.375 252 HB3 ALA 35 3HB ALA 35 -5.070 -0.518 -2.340 253 H PHE 36 H PHE 36 -4.702 -4.444 -2.541 254 HA PHE 36 HA PHE 36 -6.611 -4.186 -4.721 255 HB2 PHE 36 1HB PHE 36 -5.583 -6.462 -3.066 256 HB3 PHE 36 2HB PHE 36 -7.100 -6.644 -3.942 257 HD1 PHE 36 1HD PHE 36 -7.136 -6.568 -6.391 258 HD2 PHE 36 2HD PHE 36 -3.488 -6.413 -4.203 259 HE1 PHE 36 1HE PHE 36 -5.888 -7.123 -8.438 260 HE2 PHE 36 2HE PHE 36 -2.235 -6.966 -6.247 261 HZ PHE 36 HZ PHE 36 -3.435 -7.321 -8.368 262 H VAL 37 H VAL 37 -8.615 -3.511 -4.399 263 HA VAL 37 HA VAL 37 -9.808 -3.857 -1.724 264 HB VAL 37 HB VAL 37 -10.375 -1.694 -3.757 265 HG11 VAL 37 1HG1 VAL 37 -12.191 -1.093 -2.596 266 HG12 VAL 37 2HG1 VAL 37 -12.118 -2.713 -1.900 267 HG13 VAL 37 3HG1 VAL 37 -11.394 -1.351 -1.044 268 HG21 VAL 37 1HG2 VAL 37 -9.038 -0.286 -2.589 269 HG22 VAL 37 2HG2 VAL 37 -9.375 -1.068 -1.045 270 HG23 VAL 37 3HG2 VAL 37 -8.223 -1.792 -2.166 271 H ALA 38 H ALA 38 -11.432 -5.249 -1.641 272 HA ALA 38 HA ALA 38 -13.032 -5.699 -4.077 273 HB1 ALA 38 1HB ALA 38 -11.478 -7.565 -2.969 274 HB2 ALA 38 2HB ALA 38 -12.939 -7.814 -2.011 275 HB3 ALA 38 3HB ALA 38 -13.004 -7.944 -3.769 276 HA PRO 39 HA PRO 39 -14.866 -6.630 -4.705 277 HB2 PRO 39 1HB PRO 39 -16.975 -5.227 -5.681 278 HB3 PRO 39 2HB PRO 39 -17.162 -6.715 -4.745 279 HG2 PRO 39 1HG PRO 39 -17.413 -3.869 -3.849 280 HG3 PRO 39 2HG PRO 39 -18.438 -5.261 -3.454 281 HD2 PRO 39 1HD PRO 39 -16.544 -4.321 -1.764 282 HD3 PRO 39 2HD PRO 39 -16.979 -6.040 -1.849 283 H ALA 40 H ALA 40 -14.555 -5.646 -6.831 284 HA ALA 40 HA ALA 40 -12.854 -3.349 -6.683 285 HB1 ALA 40 1HB ALA 40 -13.097 -3.724 -9.323 286 HB2 ALA 40 2HB ALA 40 -12.036 -4.698 -8.304 287 HB3 ALA 40 3HB ALA 40 -13.628 -5.308 -8.754 288 HA PRO 41 HA PRO 41 -15.854 -0.204 -7.422 289 HB2 PRO 41 1HB PRO 41 -14.188 1.735 -8.336 290 HB3 PRO 41 2HB PRO 41 -14.276 1.268 -6.633 291 HG2 PRO 41 1HG PRO 41 -12.288 0.458 -8.721 292 HG3 PRO 41 2HG PRO 41 -12.011 0.925 -7.032 293 HD2 PRO 41 1HD PRO 41 -12.045 -1.658 -7.843 294 HD3 PRO 41 2HD PRO 41 -12.592 -1.156 -6.230 295 HA PRO 42 HA PRO 42 -16.918 -0.507 -11.696 296 HB2 PRO 42 1HB PRO 42 -18.648 1.580 -11.844 297 HB3 PRO 42 2HB PRO 42 -19.050 0.054 -11.048 298 HG2 PRO 42 1HG PRO 42 -18.144 2.638 -9.840 299 HG3 PRO 42 2HG PRO 42 -19.420 1.535 -9.294 300 HD2 PRO 42 1HD PRO 42 -16.957 1.583 -8.171 301 HD3 PRO 42 2HD PRO 42 -17.923 0.098 -8.291 302 H VAL 43 H VAL 43 -17.471 1.378 -13.487 303 HA VAL 43 HA VAL 43 -14.905 2.570 -14.003 304 HB VAL 43 HB VAL 43 -16.147 1.612 -15.853 305 HG11 VAL 43 1HG1 VAL 43 -18.306 2.027 -16.345 306 HG12 VAL 43 2HG1 VAL 43 -18.381 2.560 -14.664 307 HG13 VAL 43 3HG1 VAL 43 -18.174 3.742 -15.957 308 HG21 VAL 43 1HG2 VAL 43 -14.650 3.437 -16.378 309 HG22 VAL 43 2HG2 VAL 43 -16.072 3.522 -17.417 310 HG23 VAL 43 3HG2 VAL 43 -15.919 4.614 -16.041 311 H GLU 44 H GLU 44 -17.955 3.620 -12.740 312 HA GLU 44 HA GLU 44 -17.287 6.438 -13.072 313 HB2 GLU 44 1HB GLU 44 -19.715 5.080 -11.889 314 HB3 GLU 44 2HB GLU 44 -19.516 6.822 -12.020 315 HG2 GLU 44 1HG GLU 44 -19.621 6.770 -14.362 316 HG3 GLU 44 2HG GLU 44 -19.375 5.026 -14.416 317 H THR 45 H THR 45 -18.497 4.535 -10.309 318 HA THR 45 HA THR 45 -17.513 6.318 -8.363 319 HB THR 45 HB THR 45 -18.119 3.382 -7.974 320 HG1 THR 45 1HG THR 45 -19.967 5.429 -7.426 321 HG21 THR 45 1HG2 THR 45 -18.800 4.306 -5.675 322 HG22 THR 45 2HG2 THR 45 -17.857 5.730 -6.118 323 HG23 THR 45 3HG2 THR 45 -17.078 4.151 -6.020 324 H THR 46 H THR 46 -15.694 6.291 -7.085 325 HA THR 46 HA THR 46 -13.684 4.220 -7.529 326 HB THR 46 HB THR 46 -13.147 5.958 -9.184 327 HG1 THR 46 1HG THR 46 -11.201 6.260 -7.172 328 HG21 THR 46 1HG2 THR 46 -12.160 8.017 -7.494 329 HG22 THR 46 2HG2 THR 46 -13.840 7.713 -7.051 330 HG23 THR 46 3HG2 THR 46 -13.426 8.117 -8.717 331 H TYR 47 H TYR 47 -12.031 4.165 -5.912 332 HA TYR 47 HA TYR 47 -12.888 5.422 -3.397 333 HB2 TYR 47 1HB TYR 47 -11.062 3.038 -3.740 334 HB3 TYR 47 2HB TYR 47 -11.781 3.618 -2.242 335 HD1 TYR 47 2HD TYR 47 -14.556 4.013 -2.842 336 HD2 TYR 47 1HD TYR 47 -11.942 0.967 -4.252 337 HE1 TYR 47 2HE TYR 47 -16.485 2.527 -3.188 338 HE2 TYR 47 1HE TYR 47 -13.864 -0.527 -4.604 339 HH TYR 47 HH TYR 47 -16.537 -0.012 -5.054 340 H ASN 48 H ASN 48 -11.198 6.087 -1.886 341 HA ASN 48 HA ASN 48 -9.020 7.410 -3.311 342 HB2 ASN 48 1HB ASN 48 -10.192 7.775 -0.553 343 HB3 ASN 48 2HB ASN 48 -8.726 8.599 -1.079 344 HD21 ASN 48 1HD2 ASN 48 -12.022 8.805 -0.856 345 HD22 ASN 48 2HD2 ASN 48 -12.296 10.084 -1.985 346 H TYR 49 H TYR 49 -6.980 6.738 -3.214 347 HA TYR 49 HA TYR 49 -6.307 4.617 -1.298 348 HB2 TYR 49 1HB TYR 49 -4.897 5.439 -3.846 349 HB3 TYR 49 2HB TYR 49 -4.440 4.090 -2.812 350 HD1 TYR 49 1HD TYR 49 -5.986 2.130 -2.604 351 HD2 TYR 49 2HD TYR 49 -6.615 5.218 -5.463 352 HE1 TYR 49 1HE TYR 49 -7.493 0.649 -3.863 353 HE2 TYR 49 2HE TYR 49 -8.125 3.746 -6.729 354 HH TYR 49 HH TYR 49 -8.243 0.816 -6.754 355 H GLU 50 H GLU 50 -5.456 5.432 0.509 356 HA GLU 50 HA GLU 50 -3.375 7.502 0.244 357 HB2 GLU 50 1HB GLU 50 -5.466 8.273 1.377 358 HB3 GLU 50 2HB GLU 50 -5.186 7.064 2.622 359 HG2 GLU 50 1HG GLU 50 -4.236 8.831 3.654 360 HG3 GLU 50 2HG GLU 50 -2.833 8.286 2.736 361 H TRP 51 H TRP 51 -1.407 6.921 0.867 362 HA TRP 51 HA TRP 51 -1.129 4.518 2.545 363 HB2 TRP 51 1HB TRP 51 0.717 5.729 0.483 364 HB3 TRP 51 2HB TRP 51 1.211 4.442 1.580 365 HD1 TRP 51 HD TRP 51 -1.085 5.095 -1.422 366 HE1 TRP 51 1HE TRP 51 -1.710 2.834 -2.480 367 HE3 TRP 51 3HE TRP 51 0.957 1.973 2.073 368 HZ2 TRP 51 2HZ TRP 51 -1.381 0.089 -1.908 369 HZ3 TRP 51 3HZ TRP 51 0.757 -0.458 1.743 370 HH2 TRP 51 HH TRP 51 -0.388 -1.378 -0.207 371 H ASN 52 H ASN 52 0.535 4.481 4.153 372 HA ASN 52 HA ASN 52 1.880 6.923 4.875 373 HB2 ASN 52 1HB ASN 52 -0.500 5.933 6.409 374 HB3 ASN 52 2HB ASN 52 0.808 6.756 7.254 375 HD21 ASN 52 1HD2 ASN 52 -1.716 7.068 4.876 376 HD22 ASN 52 2HD2 ASN 52 -1.751 8.795 4.851 377 H LEU 53 H LEU 53 3.645 6.558 6.147 378 HA LEU 53 HA LEU 53 4.352 3.779 6.592 379 HB2 LEU 53 1HB LEU 53 5.915 5.454 5.584 380 HB3 LEU 53 2HB LEU 53 5.984 6.247 7.156 381 HG LEU 53 HG LEU 53 7.089 4.371 8.135 382 HD11 LEU 53 1HD1 LEU 53 6.043 2.494 7.214 383 HD12 LEU 53 2HD1 LEU 53 7.698 2.413 6.612 384 HD13 LEU 53 3HD1 LEU 53 6.405 2.990 5.561 385 HD21 LEU 53 1HD2 LEU 53 9.154 4.438 7.008 386 HD22 LEU 53 2HD2 LEU 53 8.385 5.990 6.673 387 HD23 LEU 53 3HD2 LEU 53 8.385 4.722 5.446 388 H ILE 54 H ILE 54 4.382 2.768 8.504 389 HA ILE 54 HA ILE 54 3.994 4.393 10.933 390 HB ILE 54 HB ILE 54 2.780 2.361 11.854 391 HG12 ILE 54 1HG1 ILE 54 2.944 1.628 8.939 392 HG13 ILE 54 2HG1 ILE 54 3.317 0.634 10.344 393 HG21 ILE 54 1HG2 ILE 54 1.767 4.536 10.979 394 HG22 ILE 54 2HG2 ILE 54 1.338 3.614 9.539 395 HG23 ILE 54 3HG2 ILE 54 0.698 3.140 11.112 396 HD11 ILE 54 1HD1 ILE 54 0.743 1.168 9.028 397 HD12 ILE 54 2HD1 ILE 54 1.321 -0.273 9.864 398 HD13 ILE 54 3HD1 ILE 54 0.714 1.100 10.790 399 H SER 55 H SER 55 5.236 1.339 9.629 400 HA SER 55 HA SER 55 7.035 1.153 11.953 401 HB2 SER 55 1HB SER 55 5.489 -0.771 11.627 402 HB3 SER 55 2HB SER 55 6.220 -1.055 10.047 403 HG SER 55 HG SER 55 7.021 -2.052 12.288 404 H HIS 56 H HIS 56 8.991 1.918 11.523 405 HA HIS 56 HA HIS 56 10.551 0.880 9.373 406 HB2 HIS 56 1HB HIS 56 10.953 2.941 8.160 407 HB3 HIS 56 2HB HIS 56 9.226 2.596 8.162 408 HD1 HIS 56 1HD HIS 56 11.631 5.203 8.941 409 HD2 HIS 56 2HD HIS 56 7.768 4.229 10.117 410 HE1 HIS 56 1HE HIS 56 10.702 7.290 9.992 411 HE2 HIS 56 2HE HIS 56 8.394 6.652 10.773 412 HA PRO 57 HA PRO 57 13.775 1.880 12.180 413 HB2 PRO 57 1HB PRO 57 15.885 2.063 10.483 414 HB3 PRO 57 2HB PRO 57 15.127 0.525 10.911 415 HG2 PRO 57 1HG PRO 57 14.744 2.210 8.467 416 HG3 PRO 57 2HG PRO 57 14.917 0.450 8.596 417 HD2 PRO 57 1HD PRO 57 12.514 1.659 8.287 418 HD3 PRO 57 2HD PRO 57 12.714 0.152 9.204 419 H THR 58 H THR 58 14.723 3.639 13.086 420 HA THR 58 HA THR 58 13.998 6.214 12.303 421 HB THR 58 HB THR 58 14.865 5.395 14.593 422 HG1 THR 58 1HG THR 58 14.896 7.471 15.044 423 HG21 THR 58 1HG2 THR 58 17.016 4.537 13.898 424 HG22 THR 58 2HG2 THR 58 17.264 5.911 14.976 425 HG23 THR 58 3HG2 THR 58 17.466 6.108 13.235 426 H ASP 59 H ASP 59 16.780 4.277 11.458 427 HA ASP 59 HA ASP 59 18.452 6.301 10.464 428 HB2 ASP 59 1HB ASP 59 18.898 3.755 10.872 429 HB3 ASP 59 2HB ASP 59 18.364 3.582 9.203 430 H TYR 60 H TYR 60 15.725 4.621 9.055 431 HA TYR 60 HA TYR 60 15.972 5.020 6.384 432 HB2 TYR 60 1HB TYR 60 14.012 3.960 7.386 433 HB3 TYR 60 2HB TYR 60 13.483 5.508 8.035 434 HD1 TYR 60 1HD TYR 60 14.665 4.384 4.667 435 HD2 TYR 60 2HD TYR 60 11.598 6.256 6.945 436 HE1 TYR 60 1HE TYR 60 13.398 4.810 2.601 437 HE2 TYR 60 2HE TYR 60 10.323 6.686 4.887 438 HH TYR 60 HH TYR 60 11.092 5.231 1.910 439 H GLN 61 H GLN 61 15.592 6.661 4.905 440 HA GLN 61 HA GLN 61 15.277 9.371 6.001 441 HB2 GLN 61 1HB GLN 61 17.236 8.555 3.847 442 HB3 GLN 61 2HB GLN 61 16.950 10.199 4.403 443 HG2 GLN 61 1HG GLN 61 17.664 9.421 6.691 444 HG3 GLN 61 2HG GLN 61 18.191 7.926 5.921 445 HE21 GLN 61 1HE2 GLN 61 20.058 9.267 7.222 446 HE22 GLN 61 2HE2 GLN 61 21.131 10.083 6.142 447 H GLY 62 H GLY 62 15.044 7.253 3.181 448 HA2 GLY 62 1HA GLY 62 14.013 8.792 1.228 449 HA3 GLY 62 2HA GLY 62 13.374 7.191 1.574 450 H GLU 63 H GLU 63 11.878 9.355 0.508 451 HA GLU 63 HA GLU 63 9.956 9.755 2.702 452 HB2 GLU 63 1HB GLU 63 9.420 11.953 1.870 453 HB3 GLU 63 2HB GLU 63 11.153 11.860 2.147 454 HG2 GLU 63 1HG GLU 63 11.312 11.286 -0.351 455 HG3 GLU 63 2HG GLU 63 9.665 11.906 -0.447 456 H ILE 64 H ILE 64 7.934 9.117 2.289 457 HA ILE 64 HA ILE 64 7.339 8.080 -0.373 458 HB ILE 64 HB ILE 64 5.657 7.846 2.121 459 HG12 ILE 64 1HG1 ILE 64 7.328 5.595 1.095 460 HG13 ILE 64 2HG1 ILE 64 8.117 6.854 2.039 461 HG21 ILE 64 1HG2 ILE 64 4.842 5.792 0.833 462 HG22 ILE 64 2HG2 ILE 64 4.303 7.375 0.274 463 HG23 ILE 64 3HG2 ILE 64 5.600 6.534 -0.576 464 HD11 ILE 64 1HD1 ILE 64 6.705 6.416 3.915 465 HD12 ILE 64 2HD1 ILE 64 5.723 5.295 2.972 466 HD13 ILE 64 3HD1 ILE 64 7.394 4.891 3.361 467 H LYS 65 H LYS 65 5.081 8.400 -1.198 468 HA LYS 65 HA LYS 65 4.215 11.176 -0.718 469 HB2 LYS 65 1HB LYS 65 4.041 9.562 -3.269 470 HB3 LYS 65 2HB LYS 65 3.429 11.197 -3.057 471 HG2 LYS 65 1HG LYS 65 6.292 10.694 -2.458 472 HG3 LYS 65 2HG LYS 65 5.781 10.720 -4.147 473 HD2 LYS 65 1HD LYS 65 5.054 12.942 -4.010 474 HD3 LYS 65 2HD LYS 65 5.017 12.914 -2.246 475 HE2 LYS 65 1HE LYS 65 6.929 14.155 -2.759 476 HE3 LYS 65 2HE LYS 65 7.547 12.546 -2.389 477 HZ1 LYS 65 1HZ LYS 65 8.101 12.158 -4.549 478 HZ2 LYS 65 2HZ LYS 65 8.315 13.836 -4.516 479 HZ3 LYS 65 3HZ LYS 65 6.904 13.177 -5.176 480 H GLN 66 H GLN 66 3.273 8.969 0.801 481 HA GLN 66 HA GLN 66 1.377 7.827 1.401 482 HB2 GLN 66 1HB GLN 66 0.341 10.524 0.537 483 HB3 GLN 66 2HB GLN 66 -0.678 9.325 1.322 484 HG2 GLN 66 1HG GLN 66 0.339 9.574 3.345 485 HG3 GLN 66 2HG GLN 66 1.878 10.063 2.637 486 HE21 GLN 66 1HE2 GLN 66 2.209 12.203 2.086 487 HE22 GLN 66 2HE2 GLN 66 1.173 13.474 2.631 488 H GLY 67 H GLY 67 2.224 7.556 -1.452 489 HA2 GLY 67 1HA GLY 67 1.322 6.956 -3.525 490 HA3 GLY 67 2HA GLY 67 0.585 5.748 -2.482 491 H HIS 68 H HIS 68 0.102 9.024 -3.758 492 HA HIS 68 HA HIS 68 -2.540 9.407 -3.049 493 HB2 HIS 68 1HB HIS 68 -1.195 10.272 -5.618 494 HB3 HIS 68 2HB HIS 68 -2.681 10.951 -4.960 495 HD1 HIS 68 1HD HIS 68 -2.082 11.621 -2.163 496 HD2 HIS 68 2HD HIS 68 0.780 12.039 -5.145 497 HE1 HIS 68 1HE HIS 68 -0.419 13.282 -1.270 498 HE2 HIS 68 2HE HIS 68 1.257 13.583 -3.126 499 H LYS 69 H LYS 69 -1.245 7.119 -5.210 500 HA LYS 69 HA LYS 69 -3.886 6.644 -6.419 501 HB2 LYS 69 1HB LYS 69 -1.103 5.924 -7.329 502 HB3 LYS 69 2HB LYS 69 -2.542 5.209 -8.044 503 HG2 LYS 69 1HG LYS 69 -2.015 8.170 -7.937 504 HG3 LYS 69 2HG LYS 69 -1.600 7.136 -9.306 505 HD2 LYS 69 1HD LYS 69 -3.649 7.741 -10.036 506 HD3 LYS 69 2HD LYS 69 -4.185 6.452 -8.956 507 HE2 LYS 69 1HE LYS 69 -5.526 8.113 -8.185 508 HE3 LYS 69 2HE LYS 69 -4.106 8.449 -7.195 509 HZ1 LYS 69 1HZ LYS 69 -3.416 10.101 -8.829 510 HZ2 LYS 69 2HZ LYS 69 -4.946 10.463 -8.205 511 HZ3 LYS 69 3HZ LYS 69 -4.800 9.793 -9.751 512 H GLN 70 H GLN 70 -3.860 4.104 -7.134 513 HA GLN 70 HA GLN 70 -4.178 2.707 -4.666 514 HB2 GLN 70 1HB GLN 70 -5.703 2.200 -6.432 515 HB3 GLN 70 2HB GLN 70 -4.391 1.843 -7.548 516 HG2 GLN 70 1HG GLN 70 -3.798 -0.013 -5.823 517 HG3 GLN 70 2HG GLN 70 -5.470 0.202 -5.307 518 HE21 GLN 70 1HE2 GLN 70 -6.055 -1.852 -5.985 519 HE22 GLN 70 2HE2 GLN 70 -6.219 -2.262 -7.655 520 H THR 71 H THR 71 -1.670 2.931 -7.053 521 HA THR 71 HA THR 71 -0.179 0.779 -5.704 522 HB THR 71 HB THR 71 1.311 1.096 -7.867 523 HG1 THR 71 1HG THR 71 -0.373 2.842 -8.461 524 HG21 THR 71 1HG2 THR 71 -0.950 -0.359 -8.815 525 HG22 THR 71 2HG2 THR 71 -0.773 -0.663 -7.087 526 HG23 THR 71 3HG2 THR 71 0.573 -0.981 -8.182 527 H LEU 72 H LEU 72 1.758 1.194 -4.775 528 HA LEU 72 HA LEU 72 2.747 3.966 -4.929 529 HB2 LEU 72 1HB LEU 72 1.819 3.342 -2.734 530 HB3 LEU 72 2HB LEU 72 2.987 2.026 -2.633 531 HG LEU 72 HG LEU 72 4.794 3.795 -2.735 532 HD11 LEU 72 1HD1 LEU 72 4.330 6.017 -2.602 533 HD12 LEU 72 2HD1 LEU 72 2.789 5.764 -1.785 534 HD13 LEU 72 3HD1 LEU 72 2.920 5.494 -3.523 535 HD21 LEU 72 1HD2 LEU 72 3.841 2.611 -0.665 536 HD22 LEU 72 2HD2 LEU 72 3.020 4.139 -0.341 537 HD23 LEU 72 3HD2 LEU 72 4.782 4.083 -0.422 538 H ASN 73 H ASN 73 4.878 4.315 -5.330 539 HA ASN 73 HA ASN 73 6.586 1.937 -5.662 540 HB2 ASN 73 1HB ASN 73 6.037 4.196 -7.514 541 HB3 ASN 73 2HB ASN 73 7.695 3.608 -7.443 542 HD21 ASN 73 1HD2 ASN 73 4.412 2.257 -7.534 543 HD22 ASN 73 2HD2 ASN 73 4.759 1.053 -8.723 544 H LEU 74 H LEU 74 8.413 1.968 -4.529 545 HA LEU 74 HA LEU 74 9.344 4.550 -3.458 546 HB2 LEU 74 1HB LEU 74 9.212 1.812 -2.295 547 HB3 LEU 74 2HB LEU 74 10.515 2.884 -1.784 548 HG LEU 74 HG LEU 74 8.624 4.558 -1.246 549 HD11 LEU 74 1HD1 LEU 74 6.706 3.660 -2.166 550 HD12 LEU 74 2HD1 LEU 74 6.570 3.173 -0.476 551 HD13 LEU 74 3HD1 LEU 74 7.120 2.013 -1.686 552 HD21 LEU 74 1HD2 LEU 74 10.041 3.429 0.414 553 HD22 LEU 74 2HD2 LEU 74 8.938 2.052 0.404 554 HD23 LEU 74 3HD2 LEU 74 8.382 3.625 0.980 555 H SER 75 H SER 75 11.696 4.682 -3.050 556 HA SER 75 HA SER 75 13.364 2.928 -4.666 557 HB2 SER 75 1HB SER 75 12.652 4.684 -6.242 558 HB3 SER 75 2HB SER 75 13.263 5.918 -5.140 559 HG SER 75 HG SER 75 15.212 5.546 -5.832 560 H GLN 76 H GLN 76 15.744 3.937 -4.556 561 HA GLN 76 HA GLN 76 17.505 3.911 -3.063 562 HB2 GLN 76 1HB GLN 76 16.039 6.450 -2.329 563 HB3 GLN 76 2HB GLN 76 17.711 6.099 -1.912 564 HG2 GLN 76 1HG GLN 76 18.220 5.931 -4.335 565 HG3 GLN 76 2HG GLN 76 16.569 6.447 -4.673 566 HE21 GLN 76 1HE2 GLN 76 19.088 7.726 -5.365 567 HE22 GLN 76 2HE2 GLN 76 19.037 9.304 -4.663 568 H LEU 77 H LEU 77 15.175 2.451 -2.082 569 HA LEU 77 HA LEU 77 14.703 3.038 0.644 570 HB2 LEU 77 1HB LEU 77 14.321 0.603 -1.060 571 HB3 LEU 77 2HB LEU 77 14.011 0.553 0.674 572 HG LEU 77 HG LEU 77 12.668 2.652 -0.963 573 HD11 LEU 77 1HD1 LEU 77 12.172 0.808 -2.329 574 HD12 LEU 77 2HD1 LEU 77 10.779 0.979 -1.261 575 HD13 LEU 77 3HD1 LEU 77 11.982 -0.272 -0.947 576 HD21 LEU 77 1HD2 LEU 77 12.366 1.342 1.653 577 HD22 LEU 77 2HD2 LEU 77 10.862 1.657 0.787 578 HD23 LEU 77 3HD2 LEU 77 11.967 2.984 1.149 579 H SER 78 H SER 78 15.844 2.602 2.422 580 HA SER 78 HA SER 78 18.452 1.391 2.150 581 HB2 SER 78 1HB SER 78 17.700 3.431 3.644 582 HB3 SER 78 2HB SER 78 17.302 2.163 4.803 583 HG SER 78 HG SER 78 19.821 2.729 3.638 584 H VAL 79 H VAL 79 19.200 -0.245 3.744 585 HA VAL 79 HA VAL 79 17.554 -2.552 3.628 586 HB VAL 79 HB VAL 79 20.074 -2.074 5.225 587 HG11 VAL 79 1HG1 VAL 79 20.146 -4.291 5.776 588 HG12 VAL 79 2HG1 VAL 79 18.400 -4.036 5.785 589 HG13 VAL 79 3HG1 VAL 79 19.176 -4.782 4.388 590 HG21 VAL 79 1HG2 VAL 79 21.195 -3.248 3.399 591 HG22 VAL 79 2HG2 VAL 79 19.664 -3.374 2.532 592 HG23 VAL 79 3HG2 VAL 79 20.388 -1.791 2.817 593 H GLY 80 H GLY 80 15.660 -2.385 4.746 594 HA2 GLY 80 1HA GLY 80 15.689 -2.869 7.526 595 HA3 GLY 80 2HA GLY 80 15.294 -1.180 7.242 596 H LEU 81 H LEU 81 13.394 -2.423 8.498 597 HA LEU 81 HA LEU 81 11.514 -3.617 6.625 598 HB2 LEU 81 1HB LEU 81 11.729 -4.646 8.797 599 HB3 LEU 81 2HB LEU 81 11.363 -3.117 9.593 600 HG LEU 81 HG LEU 81 9.077 -3.224 8.624 601 HD11 LEU 81 1HD1 LEU 81 8.385 -4.838 7.228 602 HD12 LEU 81 2HD1 LEU 81 9.298 -6.095 8.061 603 HD13 LEU 81 3HD1 LEU 81 10.105 -5.045 6.897 604 HD21 LEU 81 1HD2 LEU 81 9.857 -5.621 10.280 605 HD22 LEU 81 2HD2 LEU 81 8.250 -4.904 10.162 606 HD23 LEU 81 3HD2 LEU 81 9.568 -3.999 10.907 607 H TYR 82 H TYR 82 9.627 -2.698 5.949 608 HA TYR 82 HA TYR 82 8.884 -0.065 6.980 609 HB2 TYR 82 1HB TYR 82 9.156 -0.568 4.015 610 HB3 TYR 82 2HB TYR 82 8.792 0.957 4.814 611 HD1 TYR 82 2HD TYR 82 10.616 1.906 6.386 612 HD2 TYR 82 1HD TYR 82 11.356 -1.094 3.460 613 HE1 TYR 82 2HE TYR 82 13.012 2.458 6.433 614 HE2 TYR 82 1HE TYR 82 13.754 -0.550 3.500 615 HH TYR 82 HH TYR 82 15.125 1.682 4.154 616 H VAL 83 H VAL 83 6.859 -0.355 7.626 617 HA VAL 83 HA VAL 83 5.082 -2.078 6.043 618 HB VAL 83 HB VAL 83 4.634 -1.022 8.837 619 HG11 VAL 83 1HG1 VAL 83 2.644 -2.054 8.826 620 HG12 VAL 83 2HG1 VAL 83 2.803 -2.014 7.069 621 HG13 VAL 83 3HG1 VAL 83 3.271 -3.460 7.965 622 HG21 VAL 83 1HG2 VAL 83 5.555 -2.921 9.734 623 HG22 VAL 83 2HG2 VAL 83 5.296 -3.872 8.271 624 HG23 VAL 83 3HG2 VAL 83 6.604 -2.690 8.335 625 H PHE 84 H PHE 84 3.976 -0.971 4.564 626 HA PHE 84 HA PHE 84 3.097 1.757 5.156 627 HB2 PHE 84 1HB PHE 84 2.726 0.367 2.516 628 HB3 PHE 84 2HB PHE 84 2.867 2.091 2.845 629 HD1 PHE 84 2HD PHE 84 5.103 3.012 3.535 630 HD2 PHE 84 1HD PHE 84 4.607 -0.930 2.007 631 HE1 PHE 84 2HE PHE 84 7.506 2.913 3.021 632 HE2 PHE 84 1HE PHE 84 7.011 -1.036 1.491 633 HZ PHE 84 HZ PHE 84 8.463 0.887 1.997 634 H LYS 85 H LYS 85 1.070 2.204 5.699 635 HA LYS 85 HA LYS 85 -0.952 0.092 5.406 636 HB2 LYS 85 1HB LYS 85 -0.895 0.626 7.660 637 HB3 LYS 85 2HB LYS 85 -0.560 2.326 7.356 638 HG2 LYS 85 1HG LYS 85 -2.880 2.592 6.537 639 HG3 LYS 85 2HG LYS 85 -3.193 0.914 6.987 640 HD2 LYS 85 1HD LYS 85 -3.947 2.015 8.859 641 HD3 LYS 85 2HD LYS 85 -2.273 1.689 9.316 642 HE2 LYS 85 1HE LYS 85 -2.870 4.226 7.885 643 HE3 LYS 85 2HE LYS 85 -3.357 4.094 9.574 644 HZ1 LYS 85 1HZ LYS 85 -0.630 3.907 8.441 645 HZ2 LYS 85 2HZ LYS 85 -0.991 3.359 10.000 646 HZ3 LYS 85 3HZ LYS 85 -1.210 4.990 9.605 647 H VAL 86 H VAL 86 -2.314 0.314 3.769 648 HA VAL 86 HA VAL 86 -2.767 2.951 2.600 649 HB VAL 86 HB VAL 86 -2.326 1.432 0.897 650 HG11 VAL 86 1HG1 VAL 86 -3.932 -0.755 0.967 651 HG12 VAL 86 2HG1 VAL 86 -2.282 -0.706 1.591 652 HG13 VAL 86 3HG1 VAL 86 -3.647 -0.485 2.686 653 HG21 VAL 86 1HG2 VAL 86 -4.225 1.458 -0.430 654 HG22 VAL 86 2HG2 VAL 86 -5.302 1.116 0.924 655 HG23 VAL 86 3HG2 VAL 86 -4.579 2.716 0.755 656 H THR 87 H THR 87 -4.323 4.094 3.562 657 HA THR 87 HA THR 87 -6.685 2.747 4.626 658 HB THR 87 HB THR 87 -6.142 5.706 4.772 659 HG1 THR 87 1HG THR 87 -4.387 4.227 5.618 660 HG21 THR 87 1HG2 THR 87 -8.032 3.802 5.983 661 HG22 THR 87 2HG2 THR 87 -8.198 5.533 5.688 662 HG23 THR 87 3HG2 THR 87 -7.315 4.959 7.103 663 H VAL 88 H VAL 88 -8.339 2.434 3.295 664 HA VAL 88 HA VAL 88 -8.989 4.548 1.345 665 HB VAL 88 HB VAL 88 -9.367 1.571 0.988 666 HG11 VAL 88 1HG1 VAL 88 -10.408 3.931 -0.448 667 HG12 VAL 88 2HG1 VAL 88 -9.783 2.620 -1.451 668 HG13 VAL 88 3HG1 VAL 88 -11.077 2.307 -0.294 669 HG21 VAL 88 1HG2 VAL 88 -7.321 3.512 0.024 670 HG22 VAL 88 2HG2 VAL 88 -7.124 1.848 0.574 671 HG23 VAL 88 3HG2 VAL 88 -7.793 2.175 -1.025 672 H SER 89 H SER 89 -10.733 5.571 2.085 673 HA SER 89 HA SER 89 -13.035 3.950 2.928 674 HB2 SER 89 1HB SER 89 -12.578 6.579 4.270 675 HB3 SER 89 2HB SER 89 -13.394 5.136 4.873 676 HG SER 89 HG SER 89 -10.594 5.341 4.458 677 H SER 90 H SER 90 -15.056 4.778 2.404 678 HA SER 90 HA SER 90 -15.062 7.189 0.713 679 HB2 SER 90 1HB SER 90 -16.682 4.682 0.209 680 HB3 SER 90 2HB SER 90 -16.644 6.129 -0.798 681 HG SER 90 HG SER 90 -14.493 5.689 -1.284 682 H GLU 91 H GLU 91 -17.474 7.855 0.306 683 HA GLU 91 HA GLU 91 -18.539 8.893 2.586 684 HB2 GLU 91 1HB GLU 91 -19.255 9.501 0.302 685 HB3 GLU 91 2HB GLU 91 -20.125 7.977 0.181 686 HG2 GLU 91 1HG GLU 91 -21.572 8.654 2.028 687 HG3 GLU 91 2HG GLU 91 -20.702 10.183 2.146 688 H ASN 92 H ASN 92 -19.697 5.910 1.009 689 HA ASN 92 HA ASN 92 -20.827 5.094 3.605 690 HB2 ASN 92 1HB ASN 92 -22.343 3.621 2.199 691 HB3 ASN 92 2HB ASN 92 -22.630 5.354 2.075 692 HD21 ASN 92 1HD2 ASN 92 -22.533 6.299 0.138 693 HD22 ASN 92 2HD2 ASN 92 -22.054 5.513 -1.324 694 H ALA 93 H ALA 93 -18.137 4.647 3.071 695 HA ALA 93 HA ALA 93 -18.033 1.780 3.325 696 HB1 ALA 93 1HB ALA 93 -16.220 2.792 1.201 697 HB2 ALA 93 2HB ALA 93 -16.930 1.192 1.418 698 HB3 ALA 93 3HB ALA 93 -17.912 2.513 0.785 699 H PHE 94 H PHE 94 -15.824 1.021 3.848 700 HA PHE 94 HA PHE 94 -13.783 2.912 4.483 701 HB2 PHE 94 1HB PHE 94 -15.173 3.469 6.356 702 HB3 PHE 94 2HB PHE 94 -15.451 1.770 6.728 703 HD1 PHE 94 1HD PHE 94 -12.169 3.158 5.817 704 HD2 PHE 94 2HD PHE 94 -14.696 1.844 8.981 705 HE1 PHE 94 1HE PHE 94 -10.250 3.185 7.357 706 HE2 PHE 94 2HE PHE 94 -12.781 1.870 10.525 707 HZ PHE 94 HZ PHE 94 -10.555 2.542 9.715 708 H GLY 95 H GLY 95 -11.880 1.895 4.411 709 HA2 GLY 95 1HA GLY 95 -11.507 -0.756 5.453 710 HA3 GLY 95 2HA GLY 95 -11.519 -0.717 3.696 711 H GLU 96 H GLU 96 -9.300 -1.567 5.126 712 HA GLU 96 HA GLU 96 -7.285 0.117 4.029 713 HB2 GLU 96 1HB GLU 96 -6.138 0.534 6.258 714 HB3 GLU 96 2HB GLU 96 -7.558 1.512 5.916 715 HG2 GLU 96 1HG GLU 96 -7.964 0.921 8.079 716 HG3 GLU 96 2HG GLU 96 -8.805 -0.374 7.228 717 H GLY 97 H GLY 97 -5.092 -0.744 4.420 718 HA2 GLY 97 1HA GLY 97 -5.034 -3.493 5.440 719 HA3 GLY 97 2HA GLY 97 -4.571 -3.224 3.766 720 H PHE 98 H PHE 98 -2.609 -4.327 4.833 721 HA PHE 98 HA PHE 98 -0.660 -2.232 5.340 722 HB2 PHE 98 1HB PHE 98 -1.068 -4.536 7.258 723 HB3 PHE 98 2HB PHE 98 0.269 -3.393 7.317 724 HD1 PHE 98 2HD PHE 98 -3.436 -3.590 7.479 725 HD2 PHE 98 1HD PHE 98 0.075 -1.422 8.526 726 HE1 PHE 98 2HE PHE 98 -4.785 -2.092 8.890 727 HE2 PHE 98 1HE PHE 98 -1.269 0.078 9.939 728 HZ PHE 98 HZ PHE 98 -3.702 -0.255 10.122 729 H VAL 99 H VAL 99 1.418 -2.769 4.725 730 HA VAL 99 HA VAL 99 1.919 -5.500 3.795 731 HB VAL 99 HB VAL 99 1.096 -4.046 1.878 732 HG11 VAL 99 1HG1 VAL 99 2.661 -2.475 0.903 733 HG12 VAL 99 2HG1 VAL 99 2.285 -1.998 2.561 734 HG13 VAL 99 3HG1 VAL 99 3.820 -2.789 2.195 735 HG21 VAL 99 1HG2 VAL 99 3.302 -5.881 2.032 736 HG22 VAL 99 2HG2 VAL 99 2.087 -5.698 0.767 737 HG23 VAL 99 3HG2 VAL 99 3.558 -4.726 0.725 738 H ASN 100 H ASN 100 3.888 -6.196 4.333 739 HA ASN 100 HA ASN 100 5.811 -4.226 5.356 740 HB2 ASN 100 1HB ASN 100 5.858 -7.220 5.766 741 HB3 ASN 100 2HB ASN 100 6.786 -6.005 6.641 742 HD21 ASN 100 1HD2 ASN 100 6.006 -6.614 8.632 743 HD22 ASN 100 2HD2 ASN 100 4.379 -6.317 9.130 744 H VAL 101 H VAL 101 7.646 -3.831 4.303 745 HA VAL 101 HA VAL 101 8.513 -5.744 2.234 746 HB VAL 101 HB VAL 101 8.552 -2.729 2.124 747 HG11 VAL 101 1HG1 VAL 101 9.980 -4.765 0.444 748 HG12 VAL 101 2HG1 VAL 101 9.566 -3.168 -0.184 749 HG13 VAL 101 3HG1 VAL 101 10.628 -3.318 1.217 750 HG21 VAL 101 1HG2 VAL 101 7.502 -3.909 -0.212 751 HG22 VAL 101 2HG2 VAL 101 6.754 -4.730 1.157 752 HG23 VAL 101 3HG2 VAL 101 6.644 -2.975 1.014 753 H THR 102 H THR 102 10.515 -6.490 2.459 754 HA THR 102 HA THR 102 12.318 -5.099 4.324 755 HB THR 102 HB THR 102 12.478 -7.988 3.453 756 HG1 THR 102 1HG THR 102 10.603 -7.703 4.678 757 HG21 THR 102 1HG2 THR 102 14.487 -6.571 4.441 758 HG22 THR 102 2HG2 THR 102 14.214 -8.244 4.927 759 HG23 THR 102 3HG2 THR 102 13.672 -6.925 5.964 760 H VAL 103 H VAL 103 14.365 -4.549 3.719 761 HA VAL 103 HA VAL 103 15.046 -4.979 0.884 762 HB VAL 103 HB VAL 103 15.765 -2.699 2.725 763 HG11 VAL 103 1HG1 VAL 103 16.804 -3.379 -0.016 764 HG12 VAL 103 2HG1 VAL 103 16.919 -1.766 0.690 765 HG13 VAL 103 3HG1 VAL 103 17.729 -3.128 1.464 766 HG21 VAL 103 1HG2 VAL 103 14.609 -1.351 1.004 767 HG22 VAL 103 2HG2 VAL 103 14.172 -2.840 0.167 768 HG23 VAL 103 3HG2 VAL 103 13.547 -2.522 1.785 769 H LYS 104 H LYS 104 16.364 -6.714 0.866 770 HA LYS 104 HA LYS 104 18.294 -7.223 2.922 771 HB2 LYS 104 1HB LYS 104 18.001 -8.491 0.192 772 HB3 LYS 104 2HB LYS 104 18.982 -9.110 1.514 773 HG2 LYS 104 1HG LYS 104 16.056 -8.677 1.914 774 HG3 LYS 104 2HG LYS 104 16.631 -10.111 1.060 775 HD2 LYS 104 1HD LYS 104 18.201 -10.413 3.086 776 HD3 LYS 104 2HD LYS 104 17.119 -9.282 3.902 777 HE2 LYS 104 1HE LYS 104 16.178 -11.304 4.470 778 HE3 LYS 104 2HE LYS 104 15.252 -10.882 3.030 779 HZ1 LYS 104 1HZ LYS 104 16.367 -13.238 3.336 780 HZ2 LYS 104 2HZ LYS 104 17.691 -12.442 2.649 781 HZ3 LYS 104 3HZ LYS 104 16.221 -12.512 1.815 782 HA PRO 105 HA PRO 105 21.657 -4.843 1.371 783 HB2 PRO 105 1HB PRO 105 23.713 -6.220 2.490 784 HB3 PRO 105 2HB PRO 105 22.639 -5.171 3.423 785 HG2 PRO 105 1HG PRO 105 22.585 -8.149 3.120 786 HG3 PRO 105 2HG PRO 105 22.361 -7.168 4.581 787 HD2 PRO 105 1HD PRO 105 20.284 -8.238 3.212 788 HD3 PRO 105 2HD PRO 105 20.163 -6.693 4.077 789 H ALA 106 H ALA 106 23.272 -4.873 -0.198 790 HA ALA 106 HA ALA 106 23.033 -6.758 -2.256 791 HB1 ALA 106 1HB ALA 106 23.814 -4.490 -2.651 792 HB2 ALA 106 2HB ALA 106 25.281 -4.818 -1.726 793 HB3 ALA 106 3HB ALA 106 24.989 -5.663 -3.247 794 H ARG 107 H ARG 107 23.581 -8.833 -2.107 795 HA ARG 107 HA ARG 107 25.633 -9.758 -0.328 796 HB2 ARG 107 1HB ARG 107 24.084 -11.247 -2.456 797 HB3 ARG 107 2HB ARG 107 25.091 -11.985 -1.217 798 HG2 ARG 107 1HG ARG 107 23.575 -10.886 0.483 799 HG3 ARG 107 2HG ARG 107 22.498 -10.516 -0.865 800 HD2 ARG 107 1HD ARG 107 22.536 -12.977 -1.414 801 HD3 ARG 107 2HD ARG 107 23.361 -13.225 0.124 802 HE ARG 107 HE ARG 107 20.953 -11.741 0.449 803 HH11 ARG 107 2HH1 ARG 107 22.208 -14.955 -0.020 804 HH12 ARG 107 1HH1 ARG 107 20.863 -15.733 0.746 805 HH21 ARG 107 2HH2 ARG 107 19.177 -12.754 1.460 806 HH22 ARG 107 1HH2 ARG 107 19.138 -14.480 1.587 807 H SER 108 H SER 108 26.889 -8.001 -1.913 808 HA SER 108 HA SER 108 28.053 -9.197 -4.237 809 HB2 SER 108 1HB SER 108 28.713 -6.714 -2.650 810 HB3 SER 108 2HB SER 108 29.637 -7.210 -4.068 811 HG SER 108 HG SER 108 26.831 -6.932 -4.167 812 H GLY 109 H GLY 109 28.999 -11.137 -3.629 813 HA2 GLY 109 1HA GLY 109 30.752 -12.473 -2.982 814 HA3 GLY 109 2HA GLY 109 31.682 -11.002 -2.742 815 HA PRO 110 HA PRO 110 30.129 -13.074 1.327 816 HB2 PRO 110 1HB PRO 110 32.102 -14.875 1.807 817 HB3 PRO 110 2HB PRO 110 30.618 -15.285 0.939 818 HG2 PRO 110 1HG PRO 110 33.329 -14.630 -0.149 819 HG3 PRO 110 2HG PRO 110 32.200 -15.903 -0.649 820 HD2 PRO 110 1HD PRO 110 32.463 -13.574 -2.005 821 HD3 PRO 110 2HD PRO 110 30.923 -14.452 -1.905 822 H SER 111 H SER 111 30.779 -12.110 3.166 823 HA SER 111 HA SER 111 33.083 -10.396 3.102 824 HB2 SER 111 1HB SER 111 32.340 -9.629 5.283 825 HB3 SER 111 2HB SER 111 30.946 -9.750 4.209 826 HG SER 111 HG SER 111 30.132 -10.984 5.691 827 H SER 112 H SER 112 35.031 -10.690 4.016 828 HA SER 112 HA SER 112 35.437 -12.830 5.950 829 HB2 SER 112 1HB SER 112 36.491 -12.843 3.163 830 HB3 SER 112 2HB SER 112 37.566 -13.402 4.445 831 HG SER 112 HG SER 112 34.957 -14.380 4.438 832 H GLY 113 H GLY 113 37.102 -12.452 7.352 833 HA2 GLY 113 1HA GLY 113 39.297 -11.416 7.750 834 HA3 GLY 113 2HA GLY 113 38.711 -10.024 6.851 Start of MODEL 12 1 H1 GLY 1 H GLY 1 -28.176 19.312 18.236 2 HA2 GLY 1 1HA GLY 1 -30.273 21.282 18.902 3 HA3 GLY 1 2HA GLY 1 -30.585 19.718 18.165 4 H SER 2 H SER 2 -31.969 20.481 20.401 5 HA SER 2 HA SER 2 -30.739 19.513 22.798 6 HB2 SER 2 1HB SER 2 -32.721 21.203 22.493 7 HB3 SER 2 2HB SER 2 -33.713 19.745 22.477 8 HG SER 2 HG SER 2 -32.534 19.222 24.502 9 H SER 3 H SER 3 -33.547 18.304 20.954 10 HA SER 3 HA SER 3 -33.710 15.830 22.241 11 HB2 SER 3 1HB SER 3 -34.572 16.647 19.459 12 HB3 SER 3 2HB SER 3 -35.002 15.110 20.209 13 HG SER 3 HG SER 3 -35.545 17.578 21.469 14 H GLY 4 H GLY 4 -32.320 16.539 19.028 15 HA2 GLY 4 1HA GLY 4 -30.450 15.623 18.015 16 HA3 GLY 4 2HA GLY 4 -30.147 14.707 19.484 17 H SER 5 H SER 5 -30.715 14.337 16.326 18 HA SER 5 HA SER 5 -32.578 12.114 16.489 19 HB2 SER 5 1HB SER 5 -31.207 13.561 14.242 20 HB3 SER 5 2HB SER 5 -31.949 11.987 13.959 21 HG SER 5 HG SER 5 -33.118 14.423 14.293 22 H SER 6 H SER 6 -32.064 9.982 15.774 23 HA SER 6 HA SER 6 -29.422 9.151 16.615 24 HB2 SER 6 1HB SER 6 -31.412 7.886 17.337 25 HB3 SER 6 2HB SER 6 -31.772 7.500 15.654 26 HG SER 6 HG SER 6 -30.607 5.839 16.807 27 H GLY 7 H GLY 7 -31.418 8.824 13.683 28 HA2 GLY 7 1HA GLY 7 -30.828 8.196 11.538 29 HA3 GLY 7 2HA GLY 7 -29.575 9.404 11.782 30 HA PRO 8 HA PRO 8 -27.739 4.996 12.732 31 HB2 PRO 8 1HB PRO 8 -29.058 2.958 11.516 32 HB3 PRO 8 2HB PRO 8 -29.425 3.495 13.160 33 HG2 PRO 8 1HG PRO 8 -30.830 4.144 10.597 34 HG3 PRO 8 2HG PRO 8 -31.520 3.732 12.178 35 HD2 PRO 8 1HD PRO 8 -31.350 6.282 11.281 36 HD3 PRO 8 2HD PRO 8 -31.224 5.865 13.002 37 H ARG 9 H ARG 9 -26.181 5.885 11.335 38 HA ARG 9 HA ARG 9 -26.388 5.065 8.514 39 HB2 ARG 9 1HB ARG 9 -24.748 6.829 8.031 40 HB3 ARG 9 2HB ARG 9 -26.189 7.478 8.804 41 HG2 ARG 9 1HG ARG 9 -24.832 7.249 10.991 42 HG3 ARG 9 2HG ARG 9 -23.436 7.152 9.916 43 HD2 ARG 9 1HD ARG 9 -24.159 9.290 8.877 44 HD3 ARG 9 2HD ARG 9 -25.444 9.395 10.081 45 HE ARG 9 HE ARG 9 -23.251 9.145 11.610 46 HH11 ARG 9 2HH1 ARG 9 -24.002 11.224 8.920 47 HH12 ARG 9 1HH1 ARG 9 -22.997 12.521 9.473 48 HH21 ARG 9 2HH2 ARG 9 -21.923 10.847 12.349 49 HH22 ARG 9 1HH2 ARG 9 -21.814 12.306 11.423 50 H THR 10 H THR 10 -25.165 3.413 7.918 51 HA THR 10 HA THR 10 -22.672 2.894 9.405 52 HB THR 10 HB THR 10 -23.001 0.476 8.803 53 HG1 THR 10 1HG THR 10 -24.511 0.578 7.175 54 HG21 THR 10 1HG2 THR 10 -24.699 2.013 10.691 55 HG22 THR 10 2HG2 THR 10 -23.507 0.752 11.009 56 HG23 THR 10 3HG2 THR 10 -25.114 0.320 10.426 57 H VAL 11 H VAL 11 -20.945 1.906 8.199 58 HA VAL 11 HA VAL 11 -21.032 2.627 5.346 59 HB VAL 11 HB VAL 11 -18.649 2.893 5.404 60 HG11 VAL 11 1HG1 VAL 11 -18.458 4.600 7.328 61 HG12 VAL 11 2HG1 VAL 11 -19.651 4.887 6.060 62 HG13 VAL 11 3HG1 VAL 11 -20.158 4.233 7.618 63 HG21 VAL 11 1HG2 VAL 11 -18.121 1.038 6.904 64 HG22 VAL 11 2HG2 VAL 11 -17.326 2.523 7.425 65 HG23 VAL 11 3HG2 VAL 11 -18.765 1.951 8.268 66 H LYS 12 H LYS 12 -19.721 1.278 3.884 67 HA LYS 12 HA LYS 12 -20.283 -1.514 4.343 68 HB2 LYS 12 1HB LYS 12 -19.345 0.132 2.038 69 HB3 LYS 12 2HB LYS 12 -19.017 -1.596 2.012 70 HG2 LYS 12 1HG LYS 12 -21.297 -2.142 2.010 71 HG3 LYS 12 2HG LYS 12 -21.772 -0.513 2.496 72 HD2 LYS 12 1HD LYS 12 -20.418 -1.139 -0.122 73 HD3 LYS 12 2HD LYS 12 -22.170 -1.072 0.076 74 HE2 LYS 12 1HE LYS 12 -21.719 1.272 1.081 75 HE3 LYS 12 2HE LYS 12 -20.155 1.135 0.280 76 HZ1 LYS 12 1HZ LYS 12 -21.320 0.778 -1.819 77 HZ2 LYS 12 2HZ LYS 12 -21.738 2.265 -1.129 78 HZ3 LYS 12 3HZ LYS 12 -22.810 0.959 -1.040 79 H GLU 13 H GLU 13 -18.708 -3.211 4.159 80 HA GLU 13 HA GLU 13 -16.121 -2.422 5.292 81 HB2 GLU 13 1HB GLU 13 -15.944 -4.890 5.829 82 HB3 GLU 13 2HB GLU 13 -17.212 -4.010 6.671 83 HG2 GLU 13 1HG GLU 13 -18.863 -4.871 5.094 84 HG3 GLU 13 2HG GLU 13 -17.593 -5.752 4.246 85 H LEU 14 H LEU 14 -14.874 -1.901 3.547 86 HA LEU 14 HA LEU 14 -14.764 -3.651 1.240 87 HB2 LEU 14 1HB LEU 14 -13.027 -1.264 1.817 88 HB3 LEU 14 2HB LEU 14 -13.339 -2.018 0.255 89 HG LEU 14 HG LEU 14 -15.457 -0.607 1.867 90 HD11 LEU 14 1HD1 LEU 14 -13.936 0.517 -0.473 91 HD12 LEU 14 2HD1 LEU 14 -13.543 0.880 1.207 92 HD13 LEU 14 3HD1 LEU 14 -15.115 1.336 0.552 93 HD21 LEU 14 1HD2 LEU 14 -15.491 -2.235 -0.473 94 HD22 LEU 14 2HD2 LEU 14 -15.919 -0.584 -0.921 95 HD23 LEU 14 3HD2 LEU 14 -16.834 -1.424 0.332 96 H THR 15 H THR 15 -13.264 -5.159 0.847 97 HA THR 15 HA THR 15 -11.335 -5.762 2.920 98 HB THR 15 HB THR 15 -11.863 -7.209 0.317 99 HG1 THR 15 1HG THR 15 -13.059 -7.292 2.845 100 HG21 THR 15 1HG2 THR 15 -10.123 -8.501 0.829 101 HG22 THR 15 2HG2 THR 15 -10.853 -8.881 2.389 102 HG23 THR 15 3HG2 THR 15 -9.785 -7.486 2.231 103 H VAL 16 H VAL 16 -9.734 -4.220 2.823 104 HA VAL 16 HA VAL 16 -8.393 -3.697 0.293 105 HB VAL 16 HB VAL 16 -7.827 -2.578 3.043 106 HG11 VAL 16 1HG1 VAL 16 -6.309 -1.111 2.078 107 HG12 VAL 16 2HG1 VAL 16 -5.981 -2.624 1.231 108 HG13 VAL 16 3HG1 VAL 16 -6.942 -1.366 0.453 109 HG21 VAL 16 1HG2 VAL 16 -9.565 -1.231 2.738 110 HG22 VAL 16 2HG2 VAL 16 -8.843 -0.635 1.243 111 HG23 VAL 16 3HG2 VAL 16 -9.926 -2.026 1.205 112 H SER 17 H SER 17 -6.851 -5.028 -0.370 113 HA SER 17 HA SER 17 -4.890 -6.004 1.581 114 HB2 SER 17 1HB SER 17 -6.710 -7.742 0.960 115 HB3 SER 17 2HB SER 17 -5.890 -7.822 -0.599 116 HG SER 17 HG SER 17 -5.177 -8.907 1.778 117 H ALA 18 H ALA 18 -2.915 -5.470 0.954 118 HA ALA 18 HA ALA 18 -2.395 -4.436 -1.661 119 HB1 ALA 18 1HB ALA 18 0.044 -4.537 -0.704 120 HB2 ALA 18 2HB ALA 18 -1.117 -3.359 -0.091 121 HB3 ALA 18 3HB ALA 18 -0.794 -4.834 0.820 122 H GLY 19 H GLY 19 -1.713 -7.458 0.021 123 HA2 GLY 19 1HA GLY 19 -1.739 -9.254 -1.913 124 HA3 GLY 19 2HA GLY 19 -0.211 -8.465 -2.276 125 H ASP 20 H ASP 20 1.442 -8.472 -0.590 126 HA ASP 20 HA ASP 20 1.259 -10.040 1.736 127 HB2 ASP 20 1HB ASP 20 1.097 -11.799 -0.139 128 HB3 ASP 20 2HB ASP 20 2.802 -11.462 -0.423 129 H ASN 21 H ASN 21 3.568 -10.673 2.514 130 HA ASN 21 HA ASN 21 5.101 -8.313 2.597 131 HB2 ASN 21 1HB ASN 21 6.736 -9.636 3.854 132 HB3 ASN 21 2HB ASN 21 5.100 -9.970 4.414 133 HD21 ASN 21 1HD2 ASN 21 4.499 -12.013 4.556 134 HD22 ASN 21 2HD2 ASN 21 5.307 -13.356 3.830 135 H LEU 22 H LEU 22 6.710 -7.574 1.359 136 HA LEU 22 HA LEU 22 7.741 -9.348 -0.753 137 HB2 LEU 22 1HB LEU 22 7.710 -6.339 -0.776 138 HB3 LEU 22 2HB LEU 22 8.089 -7.418 -2.117 139 HG LEU 22 HG LEU 22 5.963 -6.688 -2.644 140 HD11 LEU 22 1HD1 LEU 22 6.231 -9.246 -2.345 141 HD12 LEU 22 2HD1 LEU 22 4.622 -8.572 -2.601 142 HD13 LEU 22 3HD1 LEU 22 5.137 -9.030 -0.978 143 HD21 LEU 22 1HD2 LEU 22 5.267 -6.925 0.281 144 HD22 LEU 22 2HD2 LEU 22 4.130 -6.490 -0.995 145 HD23 LEU 22 3HD2 LEU 22 5.499 -5.437 -0.636 146 H ILE 23 H ILE 23 9.944 -9.379 -1.200 147 HA ILE 23 HA ILE 23 11.689 -7.936 0.674 148 HB ILE 23 HB ILE 23 12.011 -10.844 -0.078 149 HG12 ILE 23 1HG1 ILE 23 11.237 -9.556 2.549 150 HG13 ILE 23 2HG1 ILE 23 10.182 -10.514 1.515 151 HG21 ILE 23 1HG2 ILE 23 13.593 -9.359 1.990 152 HG22 ILE 23 2HG2 ILE 23 13.965 -10.887 1.194 153 HG23 ILE 23 3HG2 ILE 23 14.082 -9.374 0.296 154 HD11 ILE 23 1HD1 ILE 23 10.905 -11.863 3.347 155 HD12 ILE 23 2HD1 ILE 23 11.688 -12.450 1.880 156 HD13 ILE 23 3HD1 ILE 23 12.595 -11.471 3.032 157 H ILE 24 H ILE 24 13.185 -6.805 -0.361 158 HA ILE 24 HA ILE 24 13.932 -7.629 -3.089 159 HB ILE 24 HB ILE 24 14.776 -5.112 -3.084 160 HG12 ILE 24 1HG1 ILE 24 12.490 -5.124 -1.103 161 HG13 ILE 24 2HG1 ILE 24 14.152 -4.647 -0.774 162 HG21 ILE 24 1HG2 ILE 24 11.837 -5.611 -3.416 163 HG22 ILE 24 2HG2 ILE 24 12.894 -4.559 -4.357 164 HG23 ILE 24 3HG2 ILE 24 13.026 -6.311 -4.515 165 HD11 ILE 24 1HD1 ILE 24 12.571 -2.756 -1.062 166 HD12 ILE 24 2HD1 ILE 24 13.944 -2.725 -2.170 167 HD13 ILE 24 3HD1 ILE 24 12.360 -3.250 -2.742 168 H THR 25 H THR 25 16.163 -6.960 -3.746 169 HA THR 25 HA THR 25 18.064 -7.019 -1.506 170 HB THR 25 HB THR 25 18.364 -8.707 -3.997 171 HG1 THR 25 1HG THR 25 17.996 -9.773 -1.416 172 HG21 THR 25 1HG2 THR 25 20.512 -8.142 -3.156 173 HG22 THR 25 2HG2 THR 25 20.172 -9.774 -2.581 174 HG23 THR 25 3HG2 THR 25 20.004 -8.401 -1.488 175 H LEU 26 H LEU 26 19.659 -5.577 -1.688 176 HA LEU 26 HA LEU 26 19.719 -3.583 -3.593 177 HB2 LEU 26 1HB LEU 26 21.809 -4.656 -1.734 178 HB3 LEU 26 2HB LEU 26 22.176 -3.336 -2.843 179 HG LEU 26 HG LEU 26 20.176 -3.328 -0.588 180 HD11 LEU 26 1HD1 LEU 26 22.152 -1.207 -0.730 181 HD12 LEU 26 2HD1 LEU 26 22.886 -2.805 -0.603 182 HD13 LEU 26 3HD1 LEU 26 21.724 -2.269 0.611 183 HD21 LEU 26 1HD2 LEU 26 19.133 -2.108 -2.320 184 HD22 LEU 26 2HD2 LEU 26 20.649 -1.346 -2.801 185 HD23 LEU 26 3HD2 LEU 26 19.888 -0.909 -1.270 186 HA PRO 27 HA PRO 27 21.554 -2.210 -4.358 187 HB2 PRO 27 1HB PRO 27 21.425 -1.126 -6.844 188 HB3 PRO 27 2HB PRO 27 22.940 -1.657 -6.105 189 HG2 PRO 27 1HG PRO 27 21.209 -3.068 -8.098 190 HG3 PRO 27 2HG PRO 27 22.976 -2.922 -8.055 191 HD2 PRO 27 1HD PRO 27 21.676 -5.145 -7.216 192 HD3 PRO 27 2HD PRO 27 23.202 -4.599 -6.490 193 H ASP 28 H ASP 28 19.399 -3.966 -6.459 194 HA ASP 28 HA ASP 28 17.396 -2.258 -7.074 195 HB2 ASP 28 1HB ASP 28 17.425 -5.121 -6.261 196 HB3 ASP 28 2HB ASP 28 15.860 -4.318 -6.342 197 H ASN 29 H ASN 29 16.801 -0.609 -5.783 198 HA ASN 29 HA ASN 29 15.805 -1.288 -3.094 199 HB2 ASN 29 1HB ASN 29 16.376 1.036 -2.436 200 HB3 ASN 29 2HB ASN 29 17.789 0.103 -2.921 201 HD21 ASN 29 1HD2 ASN 29 18.903 2.044 -3.314 202 HD22 ASN 29 2HD2 ASN 29 18.611 2.972 -4.742 203 H GLU 30 H GLU 30 14.434 -1.194 -5.752 204 HA GLU 30 HA GLU 30 12.382 0.804 -5.056 205 HB2 GLU 30 1HB GLU 30 12.981 -0.184 -7.844 206 HB3 GLU 30 2HB GLU 30 11.912 1.134 -7.384 207 HG2 GLU 30 1HG GLU 30 13.832 2.418 -6.592 208 HG3 GLU 30 2HG GLU 30 14.904 1.097 -7.055 209 H VAL 31 H VAL 31 10.358 0.084 -4.788 210 HA VAL 31 HA VAL 31 9.645 -2.573 -5.813 211 HB VAL 31 HB VAL 31 10.193 -3.066 -3.559 212 HG11 VAL 31 1HG1 VAL 31 10.382 -1.047 -2.444 213 HG12 VAL 31 2HG1 VAL 31 8.783 -0.499 -2.951 214 HG13 VAL 31 3HG1 VAL 31 8.938 -1.744 -1.711 215 HG21 VAL 31 1HG2 VAL 31 8.055 -3.993 -4.391 216 HG22 VAL 31 2HG2 VAL 31 8.085 -3.801 -2.638 217 HG23 VAL 31 3HG2 VAL 31 7.207 -2.643 -3.637 218 H GLU 32 H GLU 32 7.518 -2.828 -6.401 219 HA GLU 32 HA GLU 32 5.853 -0.402 -6.253 220 HB2 GLU 32 1HB GLU 32 6.394 -0.793 -8.533 221 HB3 GLU 32 2HB GLU 32 6.081 -2.516 -8.388 222 HG2 GLU 32 1HG GLU 32 3.768 -2.215 -8.353 223 HG3 GLU 32 2HG GLU 32 3.907 -0.498 -7.980 224 H LEU 33 H LEU 33 4.305 -0.621 -4.784 225 HA LEU 33 HA LEU 33 3.141 -3.273 -4.314 226 HB2 LEU 33 1HB LEU 33 2.758 -0.795 -2.653 227 HB3 LEU 33 2HB LEU 33 2.396 -2.461 -2.206 228 HG LEU 33 HG LEU 33 5.221 -1.723 -2.808 229 HD11 LEU 33 1HD1 LEU 33 4.145 -1.333 -0.049 230 HD12 LEU 33 2HD1 LEU 33 4.078 -0.015 -1.219 231 HD13 LEU 33 3HD1 LEU 33 5.632 -0.719 -0.773 232 HD21 LEU 33 1HD2 LEU 33 3.724 -3.847 -1.446 233 HD22 LEU 33 2HD2 LEU 33 5.177 -3.310 -0.604 234 HD23 LEU 33 3HD2 LEU 33 5.286 -3.899 -2.263 235 H LYS 34 H LYS 34 0.964 -3.660 -4.490 236 HA LYS 34 HA LYS 34 -0.672 -1.477 -5.604 237 HB2 LYS 34 1HB LYS 34 0.002 -3.194 -7.300 238 HB3 LYS 34 2HB LYS 34 -0.867 -4.397 -6.357 239 HG2 LYS 34 1HG LYS 34 -2.915 -3.607 -6.970 240 HG3 LYS 34 2HG LYS 34 -2.334 -1.955 -7.191 241 HD2 LYS 34 1HD LYS 34 -1.275 -2.544 -9.265 242 HD3 LYS 34 2HD LYS 34 -1.637 -4.254 -9.014 243 HE2 LYS 34 1HE LYS 34 -3.788 -2.161 -9.193 244 HE3 LYS 34 2HE LYS 34 -3.140 -2.968 -10.621 245 HZ1 LYS 34 1HZ LYS 34 -3.683 -5.073 -9.126 246 HZ2 LYS 34 2HZ LYS 34 -4.824 -4.380 -10.164 247 HZ3 LYS 34 3HZ LYS 34 -4.854 -4.017 -8.512 248 H ALA 35 H ALA 35 -2.710 -1.235 -4.818 249 HA ALA 35 HA ALA 35 -3.434 -2.950 -2.545 250 HB1 ALA 35 1HB ALA 35 -4.169 -1.124 -1.491 251 HB2 ALA 35 2HB ALA 35 -3.309 -0.212 -2.733 252 HB3 ALA 35 3HB ALA 35 -5.032 -0.542 -2.915 253 H PHE 36 H PHE 36 -5.167 -4.235 -2.619 254 HA PHE 36 HA PHE 36 -6.939 -4.013 -4.958 255 HB2 PHE 36 1HB PHE 36 -6.060 -6.371 -3.306 256 HB3 PHE 36 2HB PHE 36 -7.492 -6.452 -4.327 257 HD1 PHE 36 1HD PHE 36 -7.298 -6.344 -6.755 258 HD2 PHE 36 2HD PHE 36 -3.858 -6.332 -4.248 259 HE1 PHE 36 1HE PHE 36 -5.886 -6.889 -8.695 260 HE2 PHE 36 2HE PHE 36 -2.441 -6.876 -6.184 261 HZ PHE 36 HZ PHE 36 -3.454 -7.154 -8.412 262 H VAL 37 H VAL 37 -8.940 -3.337 -4.609 263 HA VAL 37 HA VAL 37 -10.043 -3.543 -1.885 264 HB VAL 37 HB VAL 37 -10.754 -1.606 -4.092 265 HG11 VAL 37 1HG1 VAL 37 -12.755 -1.919 -2.942 266 HG12 VAL 37 2HG1 VAL 37 -11.943 -2.107 -1.386 267 HG13 VAL 37 3HG1 VAL 37 -12.040 -0.518 -2.146 268 HG21 VAL 37 1HG2 VAL 37 -8.559 -1.303 -2.851 269 HG22 VAL 37 2HG2 VAL 37 -9.671 0.066 -2.831 270 HG23 VAL 37 3HG2 VAL 37 -9.533 -0.979 -1.417 271 H ALA 38 H ALA 38 -11.523 -5.068 -1.630 272 HA ALA 38 HA ALA 38 -13.271 -5.733 -3.910 273 HB1 ALA 38 1HB ALA 38 -12.999 -7.780 -1.832 274 HB2 ALA 38 2HB ALA 38 -12.960 -7.930 -3.590 275 HB3 ALA 38 3HB ALA 38 -11.512 -7.433 -2.715 276 HA PRO 39 HA PRO 39 -15.101 -6.501 -4.472 277 HB2 PRO 39 1HB PRO 39 -17.251 -5.036 -5.250 278 HB3 PRO 39 2HB PRO 39 -17.396 -6.575 -4.392 279 HG2 PRO 39 1HG PRO 39 -17.580 -3.786 -3.322 280 HG3 PRO 39 2HG PRO 39 -18.591 -5.194 -2.953 281 HD2 PRO 39 1HD PRO 39 -16.602 -4.360 -1.316 282 HD3 PRO 39 2HD PRO 39 -17.053 -6.070 -1.476 283 H ALA 40 H ALA 40 -14.775 -5.447 -6.520 284 HA ALA 40 HA ALA 40 -13.150 -3.095 -6.306 285 HB1 ALA 40 1HB ALA 40 -14.027 -4.753 -8.660 286 HB2 ALA 40 2HB ALA 40 -12.972 -3.347 -8.800 287 HB3 ALA 40 3HB ALA 40 -12.454 -4.748 -7.863 288 HA PRO 41 HA PRO 41 -16.213 -0.022 -7.053 289 HB2 PRO 41 1HB PRO 41 -14.622 1.936 -8.056 290 HB3 PRO 41 2HB PRO 41 -14.644 1.499 -6.344 291 HG2 PRO 41 1HG PRO 41 -12.707 0.695 -8.480 292 HG3 PRO 41 2HG PRO 41 -12.385 1.199 -6.811 293 HD2 PRO 41 1HD PRO 41 -12.388 -1.399 -7.573 294 HD3 PRO 41 2HD PRO 41 -12.892 -0.879 -5.953 295 HA PRO 42 HA PRO 42 -17.437 -0.328 -11.276 296 HB2 PRO 42 1HB PRO 42 -19.030 1.864 -11.454 297 HB3 PRO 42 2HB PRO 42 -19.503 0.400 -10.583 298 HG2 PRO 42 1HG PRO 42 -18.387 2.964 -9.513 299 HG3 PRO 42 2HG PRO 42 -19.713 1.971 -8.881 300 HD2 PRO 42 1HD PRO 42 -17.214 1.897 -7.841 301 HD3 PRO 42 2HD PRO 42 -18.279 0.477 -7.868 302 H VAL 43 H VAL 43 -17.939 1.538 -13.115 303 HA VAL 43 HA VAL 43 -15.319 2.514 -13.782 304 HB VAL 43 HB VAL 43 -16.795 1.585 -15.511 305 HG11 VAL 43 1HG1 VAL 43 -18.835 2.800 -14.339 306 HG12 VAL 43 2HG1 VAL 43 -18.468 4.039 -15.541 307 HG13 VAL 43 3HG1 VAL 43 -18.855 2.396 -16.055 308 HG21 VAL 43 1HG2 VAL 43 -16.125 3.026 -17.179 309 HG22 VAL 43 2HG2 VAL 43 -16.485 4.467 -16.227 310 HG23 VAL 43 3HG2 VAL 43 -15.054 3.503 -15.861 311 H GLU 44 H GLU 44 -18.216 3.836 -12.417 312 HA GLU 44 HA GLU 44 -17.388 6.583 -12.894 313 HB2 GLU 44 1HB GLU 44 -19.798 5.364 -11.551 314 HB3 GLU 44 2HB GLU 44 -19.491 7.095 -11.563 315 HG2 GLU 44 1HG GLU 44 -19.514 5.608 -14.142 316 HG3 GLU 44 2HG GLU 44 -21.041 5.998 -13.352 317 H THR 45 H THR 45 -18.522 4.941 -9.944 318 HA THR 45 HA THR 45 -17.146 6.709 -8.214 319 HB THR 45 HB THR 45 -18.335 3.983 -7.673 320 HG1 THR 45 1HG THR 45 -19.702 5.871 -8.299 321 HG21 THR 45 1HG2 THR 45 -18.338 5.226 -5.277 322 HG22 THR 45 2HG2 THR 45 -16.837 5.856 -5.954 323 HG23 THR 45 3HG2 THR 45 -17.072 4.116 -5.800 324 H THR 46 H THR 46 -15.148 6.650 -7.380 325 HA THR 46 HA THR 46 -13.553 4.201 -7.716 326 HB THR 46 HB THR 46 -11.563 5.717 -8.172 327 HG1 THR 46 1HG THR 46 -13.703 7.557 -8.504 328 HG21 THR 46 1HG2 THR 46 -13.811 5.204 -10.069 329 HG22 THR 46 2HG2 THR 46 -12.188 4.515 -10.036 330 HG23 THR 46 3HG2 THR 46 -12.436 6.164 -10.611 331 H TYR 47 H TYR 47 -12.454 3.601 -5.951 332 HA TYR 47 HA TYR 47 -12.783 5.050 -3.514 333 HB2 TYR 47 1HB TYR 47 -11.056 2.639 -4.114 334 HB3 TYR 47 2HB TYR 47 -11.460 3.237 -2.508 335 HD1 TYR 47 2HD TYR 47 -14.329 3.832 -2.797 336 HD2 TYR 47 1HD TYR 47 -12.056 0.540 -4.245 337 HE1 TYR 47 2HE TYR 47 -16.354 2.436 -2.784 338 HE2 TYR 47 1HE TYR 47 -14.075 -0.865 -4.237 339 HH TYR 47 HH TYR 47 -16.844 -0.095 -2.622 340 H ASN 48 H ASN 48 -10.989 5.664 -2.088 341 HA ASN 48 HA ASN 48 -8.833 6.922 -3.637 342 HB2 ASN 48 1HB ASN 48 -10.073 7.588 -0.968 343 HB3 ASN 48 2HB ASN 48 -8.561 8.312 -1.509 344 HD21 ASN 48 1HD2 ASN 48 -8.765 9.105 -3.901 345 HD22 ASN 48 2HD2 ASN 48 -10.148 10.096 -4.206 346 H TYR 49 H TYR 49 -6.750 6.407 -3.309 347 HA TYR 49 HA TYR 49 -6.169 4.400 -1.238 348 HB2 TYR 49 1HB TYR 49 -4.575 5.025 -3.731 349 HB3 TYR 49 2HB TYR 49 -4.300 3.693 -2.614 350 HD1 TYR 49 1HD TYR 49 -5.876 1.792 -2.542 351 HD2 TYR 49 2HD TYR 49 -6.270 4.903 -5.418 352 HE1 TYR 49 1HE TYR 49 -7.366 0.361 -3.877 353 HE2 TYR 49 2HE TYR 49 -7.762 3.481 -6.760 354 HH TYR 49 HH TYR 49 -9.273 0.827 -5.638 355 H GLU 50 H GLU 50 -5.370 5.334 0.530 356 HA GLU 50 HA GLU 50 -3.375 7.476 0.197 357 HB2 GLU 50 1HB GLU 50 -5.240 8.381 1.354 358 HB3 GLU 50 2HB GLU 50 -5.381 6.965 2.386 359 HG2 GLU 50 1HG GLU 50 -3.174 7.563 3.380 360 HG3 GLU 50 2HG GLU 50 -3.228 9.062 2.455 361 H TRP 51 H TRP 51 -1.427 6.541 0.309 362 HA TRP 51 HA TRP 51 -0.948 4.332 2.136 363 HB2 TRP 51 1HB TRP 51 0.767 5.684 0.050 364 HB3 TRP 51 2HB TRP 51 1.370 4.413 1.110 365 HD1 TRP 51 HD TRP 51 -0.887 4.977 -1.907 366 HE1 TRP 51 1HE TRP 51 -1.469 2.697 -2.949 367 HE3 TRP 51 3HE TRP 51 1.055 1.918 1.700 368 HZ2 TRP 51 2HZ TRP 51 -1.148 -0.037 -2.324 369 HZ3 TRP 51 3HZ TRP 51 0.875 -0.518 1.402 370 HH2 TRP 51 HH TRP 51 -0.204 -1.473 -0.569 371 H ASN 52 H ASN 52 0.695 4.347 3.739 372 HA ASN 52 HA ASN 52 1.974 6.823 4.470 373 HB2 ASN 52 1HB ASN 52 -0.411 5.795 5.939 374 HB3 ASN 52 2HB ASN 52 0.905 6.491 6.880 375 HD21 ASN 52 1HD2 ASN 52 -1.872 7.125 5.137 376 HD22 ASN 52 2HD2 ASN 52 -1.709 8.839 4.997 377 H LEU 53 H LEU 53 3.683 6.537 5.895 378 HA LEU 53 HA LEU 53 4.450 3.744 6.324 379 HB2 LEU 53 1HB LEU 53 5.983 5.291 5.123 380 HB3 LEU 53 2HB LEU 53 6.119 6.238 6.603 381 HG LEU 53 HG LEU 53 7.081 4.211 7.713 382 HD11 LEU 53 1HD1 LEU 53 6.094 2.640 5.982 383 HD12 LEU 53 2HD1 LEU 53 7.761 2.337 6.469 384 HD13 LEU 53 3HD1 LEU 53 7.423 3.131 4.931 385 HD21 LEU 53 1HD2 LEU 53 8.655 5.817 7.128 386 HD22 LEU 53 2HD2 LEU 53 8.414 5.568 5.398 387 HD23 LEU 53 3HD2 LEU 53 9.267 4.355 6.355 388 H ILE 54 H ILE 54 4.039 2.892 8.244 389 HA ILE 54 HA ILE 54 3.998 4.655 10.600 390 HB ILE 54 HB ILE 54 2.714 2.810 11.699 391 HG12 ILE 54 1HG1 ILE 54 3.592 1.193 9.772 392 HG13 ILE 54 2HG1 ILE 54 2.069 0.901 10.604 393 HG21 ILE 54 1HG2 ILE 54 1.532 4.717 10.862 394 HG22 ILE 54 2HG2 ILE 54 1.559 4.074 9.221 395 HG23 ILE 54 3HG2 ILE 54 0.600 3.274 10.466 396 HD11 ILE 54 1HD1 ILE 54 2.207 2.467 8.054 397 HD12 ILE 54 2HD1 ILE 54 2.077 0.708 8.076 398 HD13 ILE 54 3HD1 ILE 54 0.809 1.696 8.802 399 H SER 55 H SER 55 5.556 1.943 9.143 400 HA SER 55 HA SER 55 7.190 1.601 11.572 401 HB2 SER 55 1HB SER 55 5.600 -0.341 10.740 402 HB3 SER 55 2HB SER 55 6.913 -0.630 9.598 403 HG SER 55 HG SER 55 6.852 -0.938 12.366 404 H HIS 56 H HIS 56 9.187 2.308 11.281 405 HA HIS 56 HA HIS 56 10.716 1.570 8.963 406 HB2 HIS 56 1HB HIS 56 11.195 3.763 8.128 407 HB3 HIS 56 2HB HIS 56 9.442 3.605 8.209 408 HD1 HIS 56 1HD HIS 56 12.179 4.910 10.523 409 HD2 HIS 56 2HD HIS 56 8.314 5.801 9.287 410 HE1 HIS 56 1HE HIS 56 11.571 7.045 11.703 411 HE2 HIS 56 2HE HIS 56 9.198 7.519 11.007 412 HA PRO 57 HA PRO 57 13.897 1.729 12.000 413 HB2 PRO 57 1HB PRO 57 16.060 1.768 10.361 414 HB3 PRO 57 2HB PRO 57 15.078 0.322 10.620 415 HG2 PRO 57 1HG PRO 57 15.011 2.276 8.354 416 HG3 PRO 57 2HG PRO 57 14.927 0.505 8.307 417 HD2 PRO 57 1HD PRO 57 12.732 2.075 8.086 418 HD3 PRO 57 2HD PRO 57 12.687 0.473 8.849 419 H THR 58 H THR 58 15.848 3.018 12.602 420 HA THR 58 HA THR 58 15.258 5.811 12.416 421 HB THR 58 HB THR 58 16.315 4.536 14.407 422 HG1 THR 58 1HG THR 58 16.241 6.630 14.828 423 HG21 THR 58 1HG2 THR 58 18.700 4.431 14.485 424 HG22 THR 58 2HG2 THR 58 18.846 5.260 12.935 425 HG23 THR 58 3HG2 THR 58 18.191 3.624 13.002 426 H ASP 59 H ASP 59 17.408 3.625 10.792 427 HA ASP 59 HA ASP 59 19.301 5.463 9.821 428 HB2 ASP 59 1HB ASP 59 18.345 2.932 8.467 429 HB3 ASP 59 2HB ASP 59 19.873 3.762 8.185 430 H TYR 60 H TYR 60 16.096 4.589 8.723 431 HA TYR 60 HA TYR 60 16.392 6.200 6.306 432 HB2 TYR 60 1HB TYR 60 15.207 3.900 6.437 433 HB3 TYR 60 2HB TYR 60 13.869 4.797 7.146 434 HD1 TYR 60 1HD TYR 60 16.102 4.800 4.157 435 HD2 TYR 60 2HD TYR 60 12.273 5.746 5.753 436 HE1 TYR 60 1HE TYR 60 15.315 5.392 1.903 437 HE2 TYR 60 2HE TYR 60 11.475 6.339 3.504 438 HH TYR 60 HH TYR 60 13.569 6.765 0.864 439 H GLN 61 H GLN 61 14.952 7.920 5.804 440 HA GLN 61 HA GLN 61 14.129 9.414 8.172 441 HB2 GLN 61 1HB GLN 61 14.689 10.139 5.319 442 HB3 GLN 61 2HB GLN 61 13.728 11.217 6.322 443 HG2 GLN 61 1HG GLN 61 16.600 10.450 6.590 444 HG3 GLN 61 2HG GLN 61 15.869 12.054 6.546 445 HE21 GLN 61 1HE2 GLN 61 17.045 9.574 8.499 446 HE22 GLN 61 2HE2 GLN 61 16.531 10.193 10.028 447 H GLY 62 H GLY 62 12.785 8.478 5.006 448 HA2 GLY 62 1HA GLY 62 10.562 7.497 4.926 449 HA3 GLY 62 2HA GLY 62 10.111 8.559 6.252 450 H GLU 63 H GLU 63 10.840 8.401 2.821 451 HA GLU 63 HA GLU 63 9.444 10.974 2.485 452 HB2 GLU 63 1HB GLU 63 11.737 9.853 0.867 453 HB3 GLU 63 2HB GLU 63 10.812 11.278 0.414 454 HG2 GLU 63 1HG GLU 63 12.600 12.247 1.440 455 HG3 GLU 63 2HG GLU 63 11.489 12.105 2.801 456 H ILE 64 H ILE 64 7.427 10.232 2.015 457 HA ILE 64 HA ILE 64 7.147 8.776 -0.512 458 HB ILE 64 HB ILE 64 5.454 8.083 1.882 459 HG12 ILE 64 1HG1 ILE 64 7.759 6.461 0.793 460 HG13 ILE 64 2HG1 ILE 64 7.893 7.509 2.201 461 HG21 ILE 64 1HG2 ILE 64 5.540 7.307 -0.941 462 HG22 ILE 64 2HG2 ILE 64 5.422 5.956 0.185 463 HG23 ILE 64 3HG2 ILE 64 4.211 7.238 0.217 464 HD11 ILE 64 1HD1 ILE 64 6.289 5.000 1.887 465 HD12 ILE 64 2HD1 ILE 64 7.552 5.368 3.062 466 HD13 ILE 64 3HD1 ILE 64 5.978 6.154 3.183 467 H LYS 65 H LYS 65 5.154 9.119 -1.594 468 HA LYS 65 HA LYS 65 3.863 11.635 -0.822 469 HB2 LYS 65 1HB LYS 65 4.043 10.138 -3.431 470 HB3 LYS 65 2HB LYS 65 2.928 11.478 -3.197 471 HG2 LYS 65 1HG LYS 65 5.003 12.808 -2.474 472 HG3 LYS 65 2HG LYS 65 5.921 11.507 -3.235 473 HD2 LYS 65 1HD LYS 65 3.707 12.918 -4.690 474 HD3 LYS 65 2HD LYS 65 5.345 13.574 -4.651 475 HE2 LYS 65 1HE LYS 65 6.230 11.693 -5.766 476 HE3 LYS 65 2HE LYS 65 4.764 10.750 -5.501 477 HZ1 LYS 65 1HZ LYS 65 4.441 13.216 -7.004 478 HZ2 LYS 65 2HZ LYS 65 3.731 11.700 -7.244 479 HZ3 LYS 65 3HZ LYS 65 5.309 11.989 -7.781 480 H GLN 66 H GLN 66 3.271 8.996 0.394 481 HA GLN 66 HA GLN 66 1.494 7.700 0.998 482 HB2 GLN 66 1HB GLN 66 0.020 10.256 0.340 483 HB3 GLN 66 2HB GLN 66 -0.645 8.917 1.266 484 HG2 GLN 66 1HG GLN 66 0.609 9.385 3.115 485 HG3 GLN 66 2HG GLN 66 1.901 10.140 2.183 486 HE21 GLN 66 1HE2 GLN 66 1.431 11.576 4.196 487 HE22 GLN 66 2HE2 GLN 66 0.383 12.916 3.898 488 H GLY 67 H GLY 67 2.271 7.779 -1.887 489 HA2 GLY 67 1HA GLY 67 1.377 7.264 -3.983 490 HA3 GLY 67 2HA GLY 67 0.778 5.910 -3.037 491 H HIS 68 H HIS 68 -0.017 9.073 -4.340 492 HA HIS 68 HA HIS 68 -2.684 9.199 -3.453 493 HB2 HIS 68 1HB HIS 68 -1.520 10.392 -5.977 494 HB3 HIS 68 2HB HIS 68 -2.996 10.904 -5.164 495 HD1 HIS 68 1HD HIS 68 -2.180 11.285 -2.332 496 HD2 HIS 68 2HD HIS 68 0.304 12.320 -5.497 497 HE1 HIS 68 1HE HIS 68 -0.583 12.991 -1.403 498 HE2 HIS 68 2HE HIS 68 0.855 13.665 -3.358 499 H LYS 69 H LYS 69 -1.260 7.037 -5.543 500 HA LYS 69 HA LYS 69 -3.782 6.541 -6.979 501 HB2 LYS 69 1HB LYS 69 -1.003 5.580 -7.684 502 HB3 LYS 69 2HB LYS 69 -2.460 5.343 -8.640 503 HG2 LYS 69 1HG LYS 69 -1.354 8.057 -7.970 504 HG3 LYS 69 2HG LYS 69 -0.924 7.162 -9.429 505 HD2 LYS 69 1HD LYS 69 -3.084 7.304 -10.298 506 HD3 LYS 69 2HD LYS 69 -3.793 7.672 -8.724 507 HE2 LYS 69 1HE LYS 69 -3.823 9.705 -9.903 508 HE3 LYS 69 2HE LYS 69 -2.453 9.832 -8.801 509 HZ1 LYS 69 1HZ LYS 69 -1.217 8.846 -10.900 510 HZ2 LYS 69 2HZ LYS 69 -1.456 10.509 -10.701 511 HZ3 LYS 69 3HZ LYS 69 -2.483 9.622 -11.711 512 H GLN 70 H GLN 70 -3.722 4.024 -7.685 513 HA GLN 70 HA GLN 70 -4.144 2.605 -5.240 514 HB2 GLN 70 1HB GLN 70 -5.555 2.246 -7.224 515 HB3 GLN 70 2HB GLN 70 -4.168 1.603 -8.093 516 HG2 GLN 70 1HG GLN 70 -4.021 -0.162 -6.293 517 HG3 GLN 70 2HG GLN 70 -5.596 0.406 -5.739 518 HE21 GLN 70 1HE2 GLN 70 -4.929 -2.197 -6.738 519 HE22 GLN 70 2HE2 GLN 70 -5.894 -2.462 -8.146 520 H THR 71 H THR 71 -1.491 3.001 -7.369 521 HA THR 71 HA THR 71 -0.081 0.766 -6.059 522 HB THR 71 HB THR 71 1.492 1.055 -8.137 523 HG1 THR 71 1HG THR 71 0.008 2.906 -8.804 524 HG21 THR 71 1HG2 THR 71 -0.694 -0.627 -7.519 525 HG22 THR 71 2HG2 THR 71 0.673 -0.968 -8.579 526 HG23 THR 71 3HG2 THR 71 -0.798 -0.254 -9.239 527 H LEU 72 H LEU 72 1.710 1.220 -4.928 528 HA LEU 72 HA LEU 72 2.764 3.967 -5.085 529 HB2 LEU 72 1HB LEU 72 1.752 3.578 -2.952 530 HB3 LEU 72 2HB LEU 72 2.615 2.053 -2.765 531 HG LEU 72 HG LEU 72 4.732 3.301 -2.582 532 HD11 LEU 72 1HD1 LEU 72 3.058 5.795 -2.446 533 HD12 LEU 72 2HD1 LEU 72 3.886 5.272 -3.912 534 HD13 LEU 72 3HD1 LEU 72 4.816 5.658 -2.465 535 HD21 LEU 72 1HD2 LEU 72 2.960 4.576 -0.570 536 HD22 LEU 72 2HD2 LEU 72 4.475 3.699 -0.355 537 HD23 LEU 72 3HD2 LEU 72 2.978 2.814 -0.652 538 H ASN 73 H ASN 73 4.850 4.247 -5.581 539 HA ASN 73 HA ASN 73 6.557 1.849 -5.712 540 HB2 ASN 73 1HB ASN 73 7.220 4.291 -7.291 541 HB3 ASN 73 2HB ASN 73 7.491 2.594 -7.680 542 HD21 ASN 73 1HD2 ASN 73 5.271 1.364 -7.793 543 HD22 ASN 73 2HD2 ASN 73 4.101 2.117 -8.819 544 H LEU 74 H LEU 74 8.579 1.898 -4.828 545 HA LEU 74 HA LEU 74 9.276 4.326 -3.311 546 HB2 LEU 74 1HB LEU 74 9.406 1.437 -2.659 547 HB3 LEU 74 2HB LEU 74 10.703 2.462 -2.048 548 HG LEU 74 HG LEU 74 9.011 2.181 -0.352 549 HD11 LEU 74 1HD1 LEU 74 8.742 4.416 0.260 550 HD12 LEU 74 2HD1 LEU 74 8.617 4.958 -1.413 551 HD13 LEU 74 3HD1 LEU 74 10.171 4.425 -0.773 552 HD21 LEU 74 1HD2 LEU 74 6.733 2.741 -0.631 553 HD22 LEU 74 2HD2 LEU 74 7.162 1.741 -2.019 554 HD23 LEU 74 3HD2 LEU 74 7.031 3.491 -2.200 555 H SER 75 H SER 75 11.520 4.848 -3.102 556 HA SER 75 HA SER 75 13.362 3.518 -4.935 557 HB2 SER 75 1HB SER 75 13.949 5.486 -6.133 558 HB3 SER 75 2HB SER 75 12.186 5.435 -6.138 559 HG SER 75 HG SER 75 13.922 7.146 -4.762 560 H GLN 76 H GLN 76 15.608 4.191 -4.613 561 HA GLN 76 HA GLN 76 17.393 4.389 -3.207 562 HB2 GLN 76 1HB GLN 76 15.772 6.765 -2.279 563 HB3 GLN 76 2HB GLN 76 17.471 6.501 -1.907 564 HG2 GLN 76 1HG GLN 76 18.017 6.613 -4.279 565 HG3 GLN 76 2HG GLN 76 16.314 6.859 -4.663 566 HE21 GLN 76 1HE2 GLN 76 19.229 8.297 -3.575 567 HE22 GLN 76 2HE2 GLN 76 18.648 9.919 -3.457 568 H LEU 77 H LEU 77 15.270 2.656 -2.307 569 HA LEU 77 HA LEU 77 14.828 3.045 0.483 570 HB2 LEU 77 1HB LEU 77 14.438 0.749 -1.403 571 HB3 LEU 77 2HB LEU 77 14.201 0.548 0.332 572 HG LEU 77 HG LEU 77 12.680 2.462 -1.438 573 HD11 LEU 77 1HD1 LEU 77 11.750 0.469 -2.032 574 HD12 LEU 77 2HD1 LEU 77 10.813 0.805 -0.577 575 HD13 LEU 77 3HD1 LEU 77 12.175 -0.313 -0.509 576 HD21 LEU 77 1HD2 LEU 77 12.612 3.476 0.628 577 HD22 LEU 77 2HD2 LEU 77 12.709 1.948 1.503 578 HD23 LEU 77 3HD2 LEU 77 11.204 2.418 0.712 579 H SER 78 H SER 78 15.919 2.274 2.219 580 HA SER 78 HA SER 78 18.521 1.028 1.677 581 HB2 SER 78 1HB SER 78 17.490 2.578 4.060 582 HB3 SER 78 2HB SER 78 19.050 1.756 4.036 583 HG SER 78 HG SER 78 18.755 4.139 3.329 584 H VAL 79 H VAL 79 19.293 -0.633 3.150 585 HA VAL 79 HA VAL 79 17.518 -2.767 3.430 586 HB VAL 79 HB VAL 79 19.755 -3.397 3.352 587 HG11 VAL 79 1HG1 VAL 79 20.172 -0.974 4.812 588 HG12 VAL 79 2HG1 VAL 79 21.032 -2.294 5.608 589 HG13 VAL 79 3HG1 VAL 79 21.337 -1.941 3.907 590 HG21 VAL 79 1HG2 VAL 79 19.500 -3.602 6.311 591 HG22 VAL 79 2HG2 VAL 79 18.282 -4.381 5.301 592 HG23 VAL 79 3HG2 VAL 79 19.981 -4.823 5.133 593 H GLY 80 H GLY 80 15.757 -2.716 4.682 594 HA2 GLY 80 1HA GLY 80 15.906 -2.796 7.475 595 HA3 GLY 80 2HA GLY 80 15.466 -1.159 7.014 596 H LEU 81 H LEU 81 13.664 -2.316 8.509 597 HA LEU 81 HA LEU 81 11.704 -3.681 6.835 598 HB2 LEU 81 1HB LEU 81 12.063 -4.601 9.026 599 HB3 LEU 81 2HB LEU 81 11.761 -3.036 9.778 600 HG LEU 81 HG LEU 81 9.406 -3.175 9.014 601 HD11 LEU 81 1HD1 LEU 81 9.444 -6.038 8.550 602 HD12 LEU 81 2HD1 LEU 81 10.352 -5.147 7.329 603 HD13 LEU 81 3HD1 LEU 81 8.660 -4.752 7.633 604 HD21 LEU 81 1HD2 LEU 81 9.201 -3.886 11.112 605 HD22 LEU 81 2HD2 LEU 81 10.707 -4.799 11.025 606 HD23 LEU 81 3HD2 LEU 81 9.200 -5.529 10.470 607 H TYR 82 H TYR 82 10.239 -2.564 5.748 608 HA TYR 82 HA TYR 82 9.293 -0.010 6.870 609 HB2 TYR 82 1HB TYR 82 9.605 -0.598 3.923 610 HB3 TYR 82 2HB TYR 82 9.182 0.942 4.664 611 HD1 TYR 82 1HD TYR 82 11.922 -1.520 4.266 612 HD2 TYR 82 2HD TYR 82 10.857 2.443 5.388 613 HE1 TYR 82 1HE TYR 82 14.302 -0.905 4.328 614 HE2 TYR 82 2HE TYR 82 13.235 3.070 5.452 615 HH TYR 82 HH TYR 82 15.610 1.421 4.044 616 H VAL 83 H VAL 83 7.239 -0.196 7.444 617 HA VAL 83 HA VAL 83 5.491 -2.005 5.915 618 HB VAL 83 HB VAL 83 5.143 -0.937 8.721 619 HG11 VAL 83 1HG1 VAL 83 3.484 -2.983 7.253 620 HG12 VAL 83 2HG1 VAL 83 3.209 -2.357 8.880 621 HG13 VAL 83 3HG1 VAL 83 3.020 -1.297 7.483 622 HG21 VAL 83 1HG2 VAL 83 5.652 -3.138 9.486 623 HG22 VAL 83 2HG2 VAL 83 5.690 -3.766 7.838 624 HG23 VAL 83 3HG2 VAL 83 6.942 -2.651 8.386 625 H PHE 84 H PHE 84 4.104 -1.083 4.572 626 HA PHE 84 HA PHE 84 3.312 1.708 5.047 627 HB2 PHE 84 1HB PHE 84 2.985 0.194 2.460 628 HB3 PHE 84 2HB PHE 84 2.955 1.936 2.711 629 HD1 PHE 84 1HD PHE 84 5.078 -1.022 2.394 630 HD2 PHE 84 2HD PHE 84 4.997 3.197 2.945 631 HE1 PHE 84 1HE PHE 84 7.479 -0.911 1.869 632 HE2 PHE 84 2HE PHE 84 7.397 3.316 2.420 633 HZ PHE 84 HZ PHE 84 8.641 1.260 1.880 634 H LYS 85 H LYS 85 1.271 2.180 5.541 635 HA LYS 85 HA LYS 85 -0.735 0.037 5.323 636 HB2 LYS 85 1HB LYS 85 -0.454 0.629 7.606 637 HB3 LYS 85 2HB LYS 85 -0.464 2.349 7.238 638 HG2 LYS 85 1HG LYS 85 -2.852 2.065 6.500 639 HG3 LYS 85 2HG LYS 85 -2.782 0.437 7.181 640 HD2 LYS 85 1HD LYS 85 -3.709 1.789 8.875 641 HD3 LYS 85 2HD LYS 85 -2.027 1.536 9.344 642 HE2 LYS 85 1HE LYS 85 -1.663 3.766 7.997 643 HE3 LYS 85 2HE LYS 85 -3.377 3.997 8.339 644 HZ1 LYS 85 1HZ LYS 85 -1.288 3.486 10.388 645 HZ2 LYS 85 2HZ LYS 85 -2.924 3.797 10.684 646 HZ3 LYS 85 3HZ LYS 85 -1.939 5.005 10.025 647 H VAL 86 H VAL 86 -2.040 0.286 3.639 648 HA VAL 86 HA VAL 86 -2.575 2.949 2.578 649 HB VAL 86 HB VAL 86 -2.054 1.426 0.862 650 HG11 VAL 86 1HG1 VAL 86 -3.450 -0.472 2.564 651 HG12 VAL 86 2HG1 VAL 86 -3.874 -0.647 0.860 652 HG13 VAL 86 3HG1 VAL 86 -2.187 -0.744 1.365 653 HG21 VAL 86 1HG2 VAL 86 -4.892 1.040 0.401 654 HG22 VAL 86 2HG2 VAL 86 -4.521 2.675 0.947 655 HG23 VAL 86 3HG2 VAL 86 -3.728 2.023 -0.487 656 H THR 87 H THR 87 -4.206 4.040 3.448 657 HA THR 87 HA THR 87 -6.513 2.596 4.521 658 HB THR 87 HB THR 87 -6.217 5.569 4.717 659 HG1 THR 87 1HG THR 87 -4.949 5.182 6.639 660 HG21 THR 87 1HG2 THR 87 -7.044 3.823 6.969 661 HG22 THR 87 2HG2 THR 87 -8.142 3.938 5.593 662 HG23 THR 87 3HG2 THR 87 -7.666 5.394 6.466 663 H VAL 88 H VAL 88 -8.044 2.182 3.060 664 HA VAL 88 HA VAL 88 -8.765 4.313 1.153 665 HB VAL 88 HB VAL 88 -9.007 1.318 0.853 666 HG11 VAL 88 1HG1 VAL 88 -9.780 2.061 -1.514 667 HG12 VAL 88 2HG1 VAL 88 -10.943 2.043 -0.186 668 HG13 VAL 88 3HG1 VAL 88 -10.217 3.565 -0.704 669 HG21 VAL 88 1HG2 VAL 88 -7.216 1.394 -0.513 670 HG22 VAL 88 2HG2 VAL 88 -7.660 2.963 -1.184 671 HG23 VAL 88 3HG2 VAL 88 -6.846 2.870 0.377 672 H SER 89 H SER 89 -10.546 5.324 1.797 673 HA SER 89 HA SER 89 -12.829 3.707 2.686 674 HB2 SER 89 1HB SER 89 -13.300 5.094 4.535 675 HB3 SER 89 2HB SER 89 -11.556 4.840 4.615 676 HG SER 89 HG SER 89 -11.641 6.967 4.762 677 H SER 90 H SER 90 -14.893 4.680 2.334 678 HA SER 90 HA SER 90 -14.864 6.927 0.430 679 HB2 SER 90 1HB SER 90 -15.306 4.501 -0.487 680 HB3 SER 90 2HB SER 90 -16.916 4.756 0.187 681 HG SER 90 HG SER 90 -16.233 5.488 -2.129 682 H GLU 91 H GLU 91 -17.334 7.607 0.095 683 HA GLU 91 HA GLU 91 -18.145 8.930 2.367 684 HB2 GLU 91 1HB GLU 91 -18.955 9.485 0.123 685 HB3 GLU 91 2HB GLU 91 -19.880 7.991 0.077 686 HG2 GLU 91 1HG GLU 91 -21.431 9.663 0.589 687 HG3 GLU 91 2HG GLU 91 -21.106 8.851 2.119 688 H ASN 92 H ASN 92 -19.422 5.858 1.106 689 HA ASN 92 HA ASN 92 -20.543 5.337 3.781 690 HB2 ASN 92 1HB ASN 92 -21.626 4.752 1.044 691 HB3 ASN 92 2HB ASN 92 -22.096 3.745 2.410 692 HD21 ASN 92 1HD2 ASN 92 -24.081 4.972 1.228 693 HD22 ASN 92 2HD2 ASN 92 -24.645 6.329 2.135 694 H ALA 93 H ALA 93 -17.888 4.714 3.116 695 HA ALA 93 HA ALA 93 -17.916 1.873 3.625 696 HB1 ALA 93 1HB ALA 93 -16.689 1.139 1.767 697 HB2 ALA 93 2HB ALA 93 -17.949 2.173 1.093 698 HB3 ALA 93 3HB ALA 93 -16.304 2.784 1.262 699 H PHE 94 H PHE 94 -15.687 1.045 4.057 700 HA PHE 94 HA PHE 94 -13.585 2.932 4.528 701 HB2 PHE 94 1HB PHE 94 -14.874 3.511 6.468 702 HB3 PHE 94 2HB PHE 94 -15.129 1.816 6.873 703 HD1 PHE 94 1HD PHE 94 -11.917 3.256 5.780 704 HD2 PHE 94 2HD PHE 94 -14.236 1.855 9.063 705 HE1 PHE 94 1HE PHE 94 -9.915 3.301 7.209 706 HE2 PHE 94 2HE PHE 94 -12.237 1.899 10.497 707 HZ PHE 94 HZ PHE 94 -10.073 2.623 9.571 708 H GLY 95 H GLY 95 -11.696 1.903 4.353 709 HA2 GLY 95 1HA GLY 95 -11.338 -0.783 5.357 710 HA3 GLY 95 2HA GLY 95 -11.330 -0.671 3.603 711 H GLU 96 H GLU 96 -9.131 -1.608 4.974 712 HA GLU 96 HA GLU 96 -7.103 0.151 4.011 713 HB2 GLU 96 1HB GLU 96 -5.973 0.222 6.354 714 HB3 GLU 96 2HB GLU 96 -7.221 1.396 5.963 715 HG2 GLU 96 1HG GLU 96 -7.946 0.768 8.012 716 HG3 GLU 96 2HG GLU 96 -8.784 -0.440 7.040 717 H GLY 97 H GLY 97 -4.984 -0.794 4.089 718 HA2 GLY 97 1HA GLY 97 -5.017 -3.674 4.750 719 HA3 GLY 97 2HA GLY 97 -4.296 -3.065 3.268 720 H PHE 98 H PHE 98 -2.594 -4.502 4.513 721 HA PHE 98 HA PHE 98 -0.687 -2.611 5.620 722 HB2 PHE 98 1HB PHE 98 -1.703 -5.010 7.139 723 HB3 PHE 98 2HB PHE 98 -0.158 -4.249 7.501 724 HD1 PHE 98 2HD PHE 98 -3.803 -3.801 7.516 725 HD2 PHE 98 1HD PHE 98 -0.041 -2.161 8.643 726 HE1 PHE 98 2HE PHE 98 -4.950 -2.170 8.958 727 HE2 PHE 98 1HE PHE 98 -1.181 -0.529 10.088 728 HZ PHE 98 HZ PHE 98 -3.639 -0.531 10.246 729 H VAL 99 H VAL 99 1.073 -2.899 4.436 730 HA VAL 99 HA VAL 99 1.956 -5.642 3.855 731 HB VAL 99 HB VAL 99 0.940 -4.836 1.809 732 HG11 VAL 99 1HG1 VAL 99 1.845 -2.343 2.631 733 HG12 VAL 99 2HG1 VAL 99 2.796 -2.705 1.188 734 HG13 VAL 99 3HG1 VAL 99 1.034 -2.723 1.112 735 HG21 VAL 99 1HG2 VAL 99 3.788 -5.400 2.049 736 HG22 VAL 99 2HG2 VAL 99 2.590 -6.072 0.943 737 HG23 VAL 99 3HG2 VAL 99 3.375 -4.539 0.566 738 H ASN 100 H ASN 100 4.056 -6.008 4.243 739 HA ASN 100 HA ASN 100 5.748 -3.681 4.868 740 HB2 ASN 100 1HB ASN 100 6.855 -4.941 6.506 741 HB3 ASN 100 2HB ASN 100 5.171 -5.423 6.686 742 HD21 ASN 100 1HD2 ASN 100 7.415 -6.906 7.550 743 HD22 ASN 100 2HD2 ASN 100 7.437 -8.392 6.669 744 H VAL 101 H VAL 101 7.947 -3.714 4.225 745 HA VAL 101 HA VAL 101 8.649 -5.703 2.177 746 HB VAL 101 HB VAL 101 8.905 -2.708 1.893 747 HG11 VAL 101 1HG1 VAL 101 9.789 -3.551 -0.451 748 HG12 VAL 101 2HG1 VAL 101 10.876 -3.336 0.923 749 HG13 VAL 101 3HG1 VAL 101 10.287 -4.946 0.507 750 HG21 VAL 101 1HG2 VAL 101 7.751 -3.758 -0.383 751 HG22 VAL 101 2HG2 VAL 101 7.029 -4.705 0.918 752 HG23 VAL 101 3HG2 VAL 101 6.902 -2.946 0.932 753 H THR 102 H THR 102 10.455 -6.675 2.787 754 HA THR 102 HA THR 102 12.337 -5.272 4.534 755 HB THR 102 HB THR 102 12.332 -8.189 3.739 756 HG1 THR 102 1HG THR 102 10.550 -8.001 4.972 757 HG21 THR 102 1HG2 THR 102 13.584 -7.182 6.236 758 HG22 THR 102 2HG2 THR 102 14.422 -6.856 4.719 759 HG23 THR 102 3HG2 THR 102 14.062 -8.517 5.188 760 H VAL 103 H VAL 103 14.099 -4.363 3.723 761 HA VAL 103 HA VAL 103 14.976 -5.092 1.029 762 HB VAL 103 HB VAL 103 15.682 -2.743 2.789 763 HG11 VAL 103 1HG1 VAL 103 16.623 -3.300 -0.021 764 HG12 VAL 103 2HG1 VAL 103 17.014 -1.891 0.966 765 HG13 VAL 103 3HG1 VAL 103 17.610 -3.486 1.428 766 HG21 VAL 103 1HG2 VAL 103 14.317 -2.710 0.113 767 HG22 VAL 103 2HG2 VAL 103 13.419 -2.872 1.622 768 HG23 VAL 103 3HG2 VAL 103 14.392 -1.431 1.324 769 H LYS 104 H LYS 104 16.371 -6.740 1.006 770 HA LYS 104 HA LYS 104 18.177 -7.279 3.165 771 HB2 LYS 104 1HB LYS 104 18.023 -8.470 0.390 772 HB3 LYS 104 2HB LYS 104 19.009 -9.093 1.706 773 HG2 LYS 104 1HG LYS 104 16.045 -8.799 2.005 774 HG3 LYS 104 2HG LYS 104 16.754 -10.214 1.224 775 HD2 LYS 104 1HD LYS 104 18.092 -10.638 3.241 776 HD3 LYS 104 2HD LYS 104 17.346 -9.240 4.019 777 HE2 LYS 104 1HE LYS 104 15.194 -10.279 3.973 778 HE3 LYS 104 2HE LYS 104 15.791 -11.596 2.965 779 HZ1 LYS 104 1HZ LYS 104 15.801 -12.544 5.037 780 HZ2 LYS 104 2HZ LYS 104 16.222 -11.111 5.831 781 HZ3 LYS 104 3HZ LYS 104 17.389 -11.968 4.956 782 HA PRO 105 HA PRO 105 21.582 -4.794 1.895 783 HB2 PRO 105 1HB PRO 105 23.588 -6.157 3.116 784 HB3 PRO 105 2HB PRO 105 22.434 -5.151 3.999 785 HG2 PRO 105 1HG PRO 105 22.460 -8.121 3.627 786 HG3 PRO 105 2HG PRO 105 22.121 -7.180 5.091 787 HD2 PRO 105 1HD PRO 105 20.160 -8.256 3.564 788 HD3 PRO 105 2HD PRO 105 19.951 -6.734 4.454 789 H ALA 106 H ALA 106 23.066 -4.710 0.272 790 HA ALA 106 HA ALA 106 23.083 -6.660 -1.726 791 HB1 ALA 106 1HB ALA 106 24.697 -4.229 -1.159 792 HB2 ALA 106 2HB ALA 106 25.280 -5.353 -2.387 793 HB3 ALA 106 3HB ALA 106 23.686 -4.618 -2.551 794 H ARG 107 H ARG 107 23.691 -8.695 -1.196 795 HA ARG 107 HA ARG 107 26.191 -9.114 0.256 796 HB2 ARG 107 1HB ARG 107 25.496 -11.438 0.432 797 HB3 ARG 107 2HB ARG 107 24.194 -10.377 0.953 798 HG2 ARG 107 1HG ARG 107 23.396 -10.633 -1.524 799 HG3 ARG 107 2HG ARG 107 24.389 -12.091 -1.473 800 HD2 ARG 107 1HD ARG 107 23.112 -12.584 0.726 801 HD3 ARG 107 2HD ARG 107 21.950 -11.404 0.122 802 HE ARG 107 HE ARG 107 21.268 -12.922 -1.464 803 HH11 ARG 107 2HH1 ARG 107 24.205 -14.033 0.038 804 HH12 ARG 107 1HH1 ARG 107 24.129 -15.609 -0.677 805 HH21 ARG 107 2HH2 ARG 107 21.156 -14.994 -2.412 806 HH22 ARG 107 1HH2 ARG 107 22.394 -16.154 -2.071 807 H SER 108 H SER 108 27.853 -8.792 -1.142 808 HA SER 108 HA SER 108 28.504 -10.824 -2.984 809 HB2 SER 108 1HB SER 108 26.718 -9.429 -4.236 810 HB3 SER 108 2HB SER 108 27.981 -8.208 -4.380 811 HG SER 108 HG SER 108 28.218 -9.430 -6.164 812 H GLY 109 H GLY 109 30.546 -10.341 -4.168 813 HA2 GLY 109 1HA GLY 109 32.124 -8.099 -3.830 814 HA3 GLY 109 2HA GLY 109 32.403 -9.088 -2.404 815 HA PRO 110 HA PRO 110 35.514 -11.216 -4.662 816 HB2 PRO 110 1HB PRO 110 35.626 -13.504 -3.204 817 HB3 PRO 110 2HB PRO 110 36.272 -11.964 -2.626 818 HG2 PRO 110 1HG PRO 110 33.660 -13.281 -1.989 819 HG3 PRO 110 2HG PRO 110 34.792 -12.456 -0.901 820 HD2 PRO 110 1HD PRO 110 32.544 -11.270 -1.838 821 HD3 PRO 110 2HD PRO 110 34.030 -10.362 -1.493 822 H SER 111 H SER 111 35.917 -13.532 -5.539 823 HA SER 111 HA SER 111 33.435 -14.415 -6.849 824 HB2 SER 111 1HB SER 111 34.757 -15.129 -8.708 825 HB3 SER 111 2HB SER 111 35.327 -13.517 -8.276 826 HG SER 111 HG SER 111 36.568 -16.007 -7.917 827 H SER 112 H SER 112 32.751 -16.473 -6.671 828 HA SER 112 HA SER 112 34.529 -18.423 -5.372 829 HB2 SER 112 1HB SER 112 32.776 -17.375 -3.813 830 HB3 SER 112 2HB SER 112 31.582 -18.274 -4.749 831 HG SER 112 HG SER 112 32.554 -20.179 -4.126 832 H GLY 113 H GLY 113 34.938 -19.653 -7.150 833 HA2 GLY 113 1HA GLY 113 32.721 -20.505 -8.849 834 HA3 GLY 113 2HA GLY 113 34.430 -20.778 -9.154 Start of MODEL 13 1 H1 GLY 1 H GLY 1 -23.756 26.151 18.775 2 HA2 GLY 1 1HA GLY 1 -25.462 24.861 17.797 3 HA3 GLY 1 2HA GLY 1 -24.408 25.176 16.426 4 H SER 2 H SER 2 -25.624 22.812 18.611 5 HA SER 2 HA SER 2 -23.854 20.748 17.522 6 HB2 SER 2 1HB SER 2 -24.688 19.317 19.309 7 HB3 SER 2 2HB SER 2 -24.161 20.859 19.985 8 HG SER 2 HG SER 2 -26.457 19.760 20.365 9 H SER 3 H SER 3 -24.521 19.280 16.085 10 HA SER 3 HA SER 3 -27.310 18.596 15.791 11 HB2 SER 3 1HB SER 3 -27.475 19.253 13.433 12 HB3 SER 3 2HB SER 3 -27.166 20.660 14.450 13 HG SER 3 HG SER 3 -24.826 20.048 13.873 14 H GLY 4 H GLY 4 -27.606 16.619 14.838 15 HA2 GLY 4 1HA GLY 4 -26.757 14.957 13.211 16 HA3 GLY 4 2HA GLY 4 -25.159 15.272 13.871 17 H SER 5 H SER 5 -27.348 12.969 13.766 18 HA SER 5 HA SER 5 -26.770 12.049 16.502 19 HB2 SER 5 1HB SER 5 -29.362 12.088 15.017 20 HB3 SER 5 2HB SER 5 -29.044 10.745 16.115 21 HG SER 5 HG SER 5 -29.272 13.494 16.687 22 H SER 6 H SER 6 -26.643 9.741 16.764 23 HA SER 6 HA SER 6 -25.506 8.461 14.409 24 HB2 SER 6 1HB SER 6 -24.263 8.389 16.543 25 HB3 SER 6 2HB SER 6 -25.600 7.509 17.283 26 HG SER 6 HG SER 6 -24.247 6.580 14.977 27 H GLY 7 H GLY 7 -25.969 6.060 14.151 28 HA2 GLY 7 1HA GLY 7 -27.877 4.455 14.884 29 HA3 GLY 7 2HA GLY 7 -28.887 5.716 14.192 30 HA PRO 8 HA PRO 8 -28.616 3.625 10.338 31 HB2 PRO 8 1HB PRO 8 -29.242 5.681 8.679 32 HB3 PRO 8 2HB PRO 8 -30.437 4.873 9.701 33 HG2 PRO 8 1HG PRO 8 -28.992 7.455 10.156 34 HG3 PRO 8 2HG PRO 8 -30.701 7.066 10.426 35 HD2 PRO 8 1HD PRO 8 -28.888 7.136 12.436 36 HD3 PRO 8 2HD PRO 8 -30.278 6.031 12.441 37 H ARG 9 H ARG 9 -27.022 6.798 10.548 38 HA ARG 9 HA ARG 9 -25.401 6.686 8.327 39 HB2 ARG 9 1HB ARG 9 -25.540 8.665 9.730 40 HB3 ARG 9 2HB ARG 9 -24.758 7.815 11.056 41 HG2 ARG 9 1HG ARG 9 -23.068 9.124 10.146 42 HG3 ARG 9 2HG ARG 9 -22.781 7.524 9.458 43 HD2 ARG 9 1HD ARG 9 -23.794 8.164 7.385 44 HD3 ARG 9 2HD ARG 9 -24.335 9.698 8.066 45 HE ARG 9 HE ARG 9 -21.555 9.582 8.297 46 HH11 ARG 9 2HH1 ARG 9 -23.991 9.751 5.814 47 HH12 ARG 9 1HH1 ARG 9 -22.973 10.590 4.691 48 HH21 ARG 9 2HH2 ARG 9 -20.206 10.687 6.826 49 HH22 ARG 9 1HH2 ARG 9 -20.820 11.121 5.267 50 H THR 10 H THR 10 -24.667 4.598 7.922 51 HA THR 10 HA THR 10 -22.371 3.787 9.562 52 HB THR 10 HB THR 10 -23.106 1.359 9.033 53 HG1 THR 10 1HG THR 10 -24.967 2.378 7.738 54 HG21 THR 10 1HG2 THR 10 -23.260 2.848 11.256 55 HG22 THR 10 2HG2 THR 10 -23.845 1.186 11.177 56 HG23 THR 10 3HG2 THR 10 -24.976 2.529 11.010 57 H VAL 11 H VAL 11 -20.776 2.561 8.451 58 HA VAL 11 HA VAL 11 -20.910 2.869 5.524 59 HB VAL 11 HB VAL 11 -18.546 3.098 5.459 60 HG11 VAL 11 1HG1 VAL 11 -18.294 4.897 7.446 61 HG12 VAL 11 2HG1 VAL 11 -19.156 5.218 5.940 62 HG13 VAL 11 3HG1 VAL 11 -20.049 4.747 7.386 63 HG21 VAL 11 1HG2 VAL 11 -17.646 3.116 8.100 64 HG22 VAL 11 2HG2 VAL 11 -18.668 1.684 7.970 65 HG23 VAL 11 3HG2 VAL 11 -17.308 1.900 6.868 66 H LYS 12 H LYS 12 -19.664 1.254 4.271 67 HA LYS 12 HA LYS 12 -20.270 -1.412 5.247 68 HB2 LYS 12 1HB LYS 12 -19.552 -0.229 2.597 69 HB3 LYS 12 2HB LYS 12 -19.310 -1.952 2.852 70 HG2 LYS 12 1HG LYS 12 -21.569 -2.373 3.068 71 HG3 LYS 12 2HG LYS 12 -21.943 -0.704 3.505 72 HD2 LYS 12 1HD LYS 12 -22.712 -0.749 1.345 73 HD3 LYS 12 2HD LYS 12 -21.051 -0.216 1.078 74 HE2 LYS 12 1HE LYS 12 -20.494 -2.698 0.806 75 HE3 LYS 12 2HE LYS 12 -22.234 -2.947 0.672 76 HZ1 LYS 12 1HZ LYS 12 -20.392 -1.916 -1.258 77 HZ2 LYS 12 2HZ LYS 12 -21.723 -0.895 -1.046 78 HZ3 LYS 12 3HZ LYS 12 -21.960 -2.513 -1.478 79 H GLU 13 H GLU 13 -18.778 -3.085 5.469 80 HA GLU 13 HA GLU 13 -16.080 -2.198 6.101 81 HB2 GLU 13 1HB GLU 13 -17.442 -4.865 6.518 82 HB3 GLU 13 2HB GLU 13 -15.819 -4.467 7.066 83 HG2 GLU 13 1HG GLU 13 -16.633 -2.874 8.614 84 HG3 GLU 13 2HG GLU 13 -18.254 -2.932 7.923 85 H LEU 14 H LEU 14 -14.840 -2.021 4.322 86 HA LEU 14 HA LEU 14 -14.977 -4.037 2.229 87 HB2 LEU 14 1HB LEU 14 -13.106 -1.691 2.341 88 HB3 LEU 14 2HB LEU 14 -13.640 -2.594 0.925 89 HG LEU 14 HG LEU 14 -15.489 -0.887 2.580 90 HD11 LEU 14 1HD1 LEU 14 -15.248 0.753 0.697 91 HD12 LEU 14 2HD1 LEU 14 -13.836 -0.164 0.171 92 HD13 LEU 14 3HD1 LEU 14 -13.843 0.613 1.754 93 HD21 LEU 14 1HD2 LEU 14 -17.072 -1.699 1.258 94 HD22 LEU 14 2HD2 LEU 14 -15.885 -2.757 0.494 95 HD23 LEU 14 3HD2 LEU 14 -16.190 -1.150 -0.167 96 H THR 15 H THR 15 -13.021 -5.061 1.412 97 HA THR 15 HA THR 15 -11.157 -5.694 3.601 98 HB THR 15 HB THR 15 -11.866 -7.338 1.163 99 HG1 THR 15 1HG THR 15 -13.493 -7.777 2.477 100 HG21 THR 15 1HG2 THR 15 -10.361 -8.448 3.475 101 HG22 THR 15 2HG2 THR 15 -9.481 -7.440 2.327 102 HG23 THR 15 3HG2 THR 15 -10.306 -8.896 1.771 103 H VAL 16 H VAL 16 -9.534 -4.227 3.331 104 HA VAL 16 HA VAL 16 -8.398 -3.771 0.694 105 HB VAL 16 HB VAL 16 -7.536 -2.642 3.360 106 HG11 VAL 16 1HG1 VAL 16 -6.952 -1.544 0.623 107 HG12 VAL 16 2HG1 VAL 16 -6.212 -1.103 2.163 108 HG13 VAL 16 3HG1 VAL 16 -5.873 -2.676 1.439 109 HG21 VAL 16 1HG2 VAL 16 -8.715 -0.590 2.577 110 HG22 VAL 16 2HG2 VAL 16 -9.390 -1.540 1.253 111 HG23 VAL 16 3HG2 VAL 16 -9.788 -1.946 2.922 112 H SER 17 H SER 17 -6.569 -4.650 -0.062 113 HA SER 17 HA SER 17 -4.626 -5.835 1.737 114 HB2 SER 17 1HB SER 17 -6.531 -7.536 1.023 115 HB3 SER 17 2HB SER 17 -5.569 -7.637 -0.452 116 HG SER 17 HG SER 17 -5.106 -9.084 1.498 117 H ALA 18 H ALA 18 -2.639 -5.475 0.995 118 HA ALA 18 HA ALA 18 -2.259 -4.224 -1.559 119 HB1 ALA 18 1HB ALA 18 -0.005 -5.168 0.167 120 HB2 ALA 18 2HB ALA 18 -0.108 -3.735 -0.857 121 HB3 ALA 18 3HB ALA 18 -0.998 -3.798 0.664 122 H GLY 19 H GLY 19 -1.585 -7.390 -0.160 123 HA2 GLY 19 1HA GLY 19 -1.830 -9.044 -2.192 124 HA3 GLY 19 2HA GLY 19 -0.319 -8.270 -2.647 125 H ASP 20 H ASP 20 1.484 -8.432 -1.127 126 HA ASP 20 HA ASP 20 1.410 -10.257 1.049 127 HB2 ASP 20 1HB ASP 20 1.245 -11.853 -0.860 128 HB3 ASP 20 2HB ASP 20 2.793 -11.253 -1.449 129 H ASN 21 H ASN 21 3.685 -10.772 1.820 130 HA ASN 21 HA ASN 21 5.136 -8.376 2.070 131 HB2 ASN 21 1HB ASN 21 6.665 -9.600 3.408 132 HB3 ASN 21 2HB ASN 21 5.094 -10.349 3.682 133 HD21 ASN 21 1HD2 ASN 21 4.722 -12.416 2.980 134 HD22 ASN 21 2HD2 ASN 21 5.974 -13.448 2.384 135 H LEU 22 H LEU 22 6.788 -7.524 0.955 136 HA LEU 22 HA LEU 22 7.877 -9.105 -1.280 137 HB2 LEU 22 1HB LEU 22 7.774 -6.104 -1.077 138 HB3 LEU 22 2HB LEU 22 8.201 -7.068 -2.489 139 HG LEU 22 HG LEU 22 6.063 -6.334 -2.985 140 HD11 LEU 22 1HD1 LEU 22 5.523 -8.934 -1.563 141 HD12 LEU 22 2HD1 LEU 22 6.305 -8.808 -3.139 142 HD13 LEU 22 3HD1 LEU 22 4.642 -8.257 -2.933 143 HD21 LEU 22 1HD2 LEU 22 5.577 -5.319 -0.822 144 HD22 LEU 22 2HD2 LEU 22 5.268 -6.912 -0.132 145 HD23 LEU 22 3HD2 LEU 22 4.210 -6.276 -1.392 146 H ILE 23 H ILE 23 10.059 -9.236 -1.565 147 HA ILE 23 HA ILE 23 11.760 -7.818 0.375 148 HB ILE 23 HB ILE 23 12.093 -10.692 -0.493 149 HG12 ILE 23 1HG1 ILE 23 11.454 -9.594 2.251 150 HG13 ILE 23 2HG1 ILE 23 10.242 -10.237 1.148 151 HG21 ILE 23 1HG2 ILE 23 14.230 -9.572 -0.175 152 HG22 ILE 23 2HG2 ILE 23 13.717 -9.019 1.418 153 HG23 ILE 23 3HG2 ILE 23 13.942 -10.741 1.113 154 HD11 ILE 23 1HD1 ILE 23 11.647 -12.371 1.151 155 HD12 ILE 23 2HD1 ILE 23 12.440 -11.684 2.569 156 HD13 ILE 23 3HD1 ILE 23 10.705 -11.995 2.594 157 H ILE 24 H ILE 24 13.193 -6.577 -0.618 158 HA ILE 24 HA ILE 24 14.060 -7.315 -3.334 159 HB ILE 24 HB ILE 24 14.791 -4.804 -3.338 160 HG12 ILE 24 1HG1 ILE 24 12.598 -4.807 -1.252 161 HG13 ILE 24 2HG1 ILE 24 14.288 -4.407 -0.963 162 HG21 ILE 24 1HG2 ILE 24 11.836 -5.161 -3.479 163 HG22 ILE 24 2HG2 ILE 24 12.926 -4.330 -4.588 164 HG23 ILE 24 3HG2 ILE 24 12.867 -6.092 -4.566 165 HD11 ILE 24 1HD1 ILE 24 14.096 -2.350 -1.878 166 HD12 ILE 24 2HD1 ILE 24 12.883 -2.861 -3.052 167 HD13 ILE 24 3HD1 ILE 24 12.420 -2.568 -1.376 168 H THR 25 H THR 25 16.277 -6.745 -3.921 169 HA THR 25 HA THR 25 18.118 -6.710 -1.625 170 HB THR 25 HB THR 25 18.505 -8.391 -4.108 171 HG1 THR 25 1HG THR 25 17.318 -8.906 -1.647 172 HG21 THR 25 1HG2 THR 25 20.596 -7.611 -3.095 173 HG22 THR 25 2HG2 THR 25 20.391 -9.349 -2.874 174 HG23 THR 25 3HG2 THR 25 20.079 -8.246 -1.534 175 H LEU 26 H LEU 26 19.685 -5.231 -1.758 176 HA LEU 26 HA LEU 26 19.757 -3.229 -3.650 177 HB2 LEU 26 1HB LEU 26 21.837 -4.277 -1.762 178 HB3 LEU 26 2HB LEU 26 22.182 -2.927 -2.842 179 HG LEU 26 HG LEU 26 20.141 -3.018 -0.625 180 HD11 LEU 26 1HD1 LEU 26 21.890 -0.805 -0.485 181 HD12 LEU 26 2HD1 LEU 26 22.878 -2.241 -0.754 182 HD13 LEU 26 3HD1 LEU 26 21.771 -2.177 0.617 183 HD21 LEU 26 1HD2 LEU 26 19.072 -1.770 -2.289 184 HD22 LEU 26 2HD2 LEU 26 20.579 -1.029 -2.830 185 HD23 LEU 26 3HD2 LEU 26 19.870 -0.560 -1.284 186 HA PRO 27 HA PRO 27 21.573 -1.816 -4.371 187 HB2 PRO 27 1HB PRO 27 21.473 -0.723 -6.854 188 HB3 PRO 27 2HB PRO 27 22.984 -1.224 -6.086 189 HG2 PRO 27 1HG PRO 27 21.326 -2.664 -8.121 190 HG3 PRO 27 2HG PRO 27 23.088 -2.479 -8.040 191 HD2 PRO 27 1HD PRO 27 21.821 -4.734 -7.238 192 HD3 PRO 27 2HD PRO 27 23.318 -4.158 -6.478 193 H ASP 28 H ASP 28 19.502 -3.610 -6.522 194 HA ASP 28 HA ASP 28 17.471 -1.864 -7.092 195 HB2 ASP 28 1HB ASP 28 17.581 -4.799 -6.594 196 HB3 ASP 28 2HB ASP 28 15.992 -4.042 -6.660 197 H ASN 29 H ASN 29 16.891 -0.374 -5.586 198 HA ASN 29 HA ASN 29 15.799 -1.394 -3.047 199 HB2 ASN 29 1HB ASN 29 16.234 0.923 -2.169 200 HB3 ASN 29 2HB ASN 29 17.684 0.012 -2.580 201 HD21 ASN 29 1HD2 ASN 29 18.741 2.069 -2.669 202 HD22 ASN 29 2HD2 ASN 29 18.616 3.044 -4.090 203 H GLU 30 H GLU 30 14.526 -0.994 -5.751 204 HA GLU 30 HA GLU 30 12.449 0.942 -4.971 205 HB2 GLU 30 1HB GLU 30 12.968 -0.123 -7.747 206 HB3 GLU 30 2HB GLU 30 11.933 1.224 -7.295 207 HG2 GLU 30 1HG GLU 30 13.948 2.438 -6.509 208 HG3 GLU 30 2HG GLU 30 14.935 1.117 -7.132 209 H VAL 31 H VAL 31 10.329 0.336 -4.905 210 HA VAL 31 HA VAL 31 9.601 -2.370 -5.740 211 HB VAL 31 HB VAL 31 10.065 -2.850 -3.494 212 HG11 VAL 31 1HG1 VAL 31 9.074 -1.374 -1.647 213 HG12 VAL 31 2HG1 VAL 31 10.484 -0.767 -2.517 214 HG13 VAL 31 3HG1 VAL 31 8.875 -0.158 -2.908 215 HG21 VAL 31 1HG2 VAL 31 7.138 -2.122 -3.517 216 HG22 VAL 31 2HG2 VAL 31 7.820 -3.578 -4.242 217 HG23 VAL 31 3HG2 VAL 31 7.919 -3.332 -2.499 218 H GLU 32 H GLU 32 7.548 -2.546 -6.487 219 HA GLU 32 HA GLU 32 5.883 -0.120 -6.352 220 HB2 GLU 32 1HB GLU 32 6.532 -0.504 -8.616 221 HB3 GLU 32 2HB GLU 32 6.151 -2.217 -8.503 222 HG2 GLU 32 1HG GLU 32 3.819 -1.781 -8.447 223 HG3 GLU 32 2HG GLU 32 4.085 -0.050 -8.246 224 H LEU 33 H LEU 33 4.498 -0.473 -4.708 225 HA LEU 33 HA LEU 33 3.241 -3.083 -4.394 226 HB2 LEU 33 1HB LEU 33 2.712 -0.653 -2.716 227 HB3 LEU 33 2HB LEU 33 2.505 -2.349 -2.287 228 HG LEU 33 HG LEU 33 5.250 -1.340 -2.865 229 HD11 LEU 33 1HD1 LEU 33 4.508 0.363 -1.391 230 HD12 LEU 33 2HD1 LEU 33 5.440 -0.779 -0.423 231 HD13 LEU 33 3HD1 LEU 33 3.678 -0.800 -0.357 232 HD21 LEU 33 1HD2 LEU 33 3.996 -3.478 -1.173 233 HD22 LEU 33 2HD2 LEU 33 5.667 -2.968 -0.934 234 HD23 LEU 33 3HD2 LEU 33 5.165 -3.645 -2.484 235 H LYS 34 H LYS 34 0.966 -3.364 -4.326 236 HA LYS 34 HA LYS 34 -0.549 -1.278 -5.756 237 HB2 LYS 34 1HB LYS 34 -0.325 -4.198 -6.230 238 HB3 LYS 34 2HB LYS 34 -1.928 -3.497 -6.404 239 HG2 LYS 34 1HG LYS 34 -1.181 -2.012 -8.107 240 HG3 LYS 34 2HG LYS 34 0.507 -2.441 -7.819 241 HD2 LYS 34 1HD LYS 34 0.092 -3.760 -9.634 242 HD3 LYS 34 2HD LYS 34 -0.406 -4.871 -8.356 243 HE2 LYS 34 1HE LYS 34 -2.201 -5.005 -9.785 244 HE3 LYS 34 2HE LYS 34 -2.737 -3.734 -8.686 245 HZ1 LYS 34 1HZ LYS 34 -1.395 -2.367 -10.597 246 HZ2 LYS 34 2HZ LYS 34 -3.074 -2.559 -10.534 247 HZ3 LYS 34 3HZ LYS 34 -2.140 -3.594 -11.493 248 H ALA 35 H ALA 35 -2.853 -1.230 -5.321 249 HA ALA 35 HA ALA 35 -3.494 -2.222 -2.620 250 HB1 ALA 35 1HB ALA 35 -5.212 -0.210 -2.828 251 HB2 ALA 35 2HB ALA 35 -3.559 0.024 -2.259 252 HB3 ALA 35 3HB ALA 35 -3.976 0.394 -3.932 253 H PHE 36 H PHE 36 -4.995 -3.748 -2.583 254 HA PHE 36 HA PHE 36 -7.016 -3.787 -4.728 255 HB2 PHE 36 1HB PHE 36 -5.593 -6.020 -3.307 256 HB3 PHE 36 2HB PHE 36 -7.156 -6.293 -4.070 257 HD1 PHE 36 1HD PHE 36 -7.342 -5.533 -6.558 258 HD2 PHE 36 2HD PHE 36 -3.670 -6.290 -4.543 259 HE1 PHE 36 1HE PHE 36 -6.226 -5.868 -8.725 260 HE2 PHE 36 2HE PHE 36 -2.548 -6.626 -6.707 261 HZ PHE 36 HZ PHE 36 -3.826 -6.414 -8.802 262 H VAL 37 H VAL 37 -9.119 -3.792 -4.174 263 HA VAL 37 HA VAL 37 -9.853 -4.322 -1.383 264 HB VAL 37 HB VAL 37 -9.742 -1.967 -1.344 265 HG11 VAL 37 1HG1 VAL 37 -9.828 -0.712 -3.174 266 HG12 VAL 37 2HG1 VAL 37 -10.187 -2.164 -4.112 267 HG13 VAL 37 3HG1 VAL 37 -11.503 -1.183 -3.465 268 HG21 VAL 37 1HG2 VAL 37 -11.758 -2.752 -0.323 269 HG22 VAL 37 2HG2 VAL 37 -12.136 -1.269 -1.198 270 HG23 VAL 37 3HG2 VAL 37 -12.579 -2.833 -1.882 271 H ALA 38 H ALA 38 -11.875 -5.197 -1.088 272 HA ALA 38 HA ALA 38 -13.531 -5.603 -3.484 273 HB1 ALA 38 1HB ALA 38 -13.792 -7.899 -3.098 274 HB2 ALA 38 2HB ALA 38 -12.066 -7.606 -2.885 275 HB3 ALA 38 3HB ALA 38 -13.109 -7.794 -1.476 276 HA PRO 39 HA PRO 39 -15.442 -6.446 -4.028 277 HB2 PRO 39 1HB PRO 39 -17.559 -4.923 -4.780 278 HB3 PRO 39 2HB PRO 39 -17.737 -6.450 -3.908 279 HG2 PRO 39 1HG PRO 39 -17.817 -3.648 -2.857 280 HG3 PRO 39 2HG PRO 39 -18.865 -5.023 -2.460 281 HD2 PRO 39 1HD PRO 39 -16.824 -4.238 -0.863 282 HD3 PRO 39 2HD PRO 39 -17.329 -5.934 -1.003 283 H ALA 40 H ALA 40 -14.879 -5.509 -6.008 284 HA ALA 40 HA ALA 40 -13.332 -3.110 -5.826 285 HB1 ALA 40 1HB ALA 40 -12.339 -4.518 -7.310 286 HB2 ALA 40 2HB ALA 40 -13.874 -5.147 -7.912 287 HB3 ALA 40 3HB ALA 40 -13.301 -3.564 -8.440 288 HA PRO 41 HA PRO 41 -16.384 -0.141 -6.942 289 HB2 PRO 41 1HB PRO 41 -14.763 1.787 -7.956 290 HB3 PRO 41 2HB PRO 41 -14.886 1.447 -6.226 291 HG2 PRO 41 1HG PRO 41 -12.807 0.559 -8.188 292 HG3 PRO 41 2HG PRO 41 -12.598 1.163 -6.534 293 HD2 PRO 41 1HD PRO 41 -12.514 -1.474 -7.143 294 HD3 PRO 41 2HD PRO 41 -13.127 -0.872 -5.590 295 HA PRO 42 HA PRO 42 -17.373 -0.466 -11.214 296 HB2 PRO 42 1HB PRO 42 -18.499 1.951 -11.730 297 HB3 PRO 42 2HB PRO 42 -19.296 0.708 -10.758 298 HG2 PRO 42 1HG PRO 42 -17.766 3.120 -9.863 299 HG3 PRO 42 2HG PRO 42 -19.294 2.470 -9.241 300 HD2 PRO 42 1HD PRO 42 -16.920 2.047 -8.008 301 HD3 PRO 42 2HD PRO 42 -18.237 0.857 -7.977 302 H VAL 43 H VAL 43 -17.395 1.237 -13.263 303 HA VAL 43 HA VAL 43 -14.585 1.692 -13.758 304 HB VAL 43 HB VAL 43 -15.861 0.701 -15.540 305 HG11 VAL 43 1HG1 VAL 43 -17.654 3.065 -15.145 306 HG12 VAL 43 2HG1 VAL 43 -17.604 2.221 -16.694 307 HG13 VAL 43 3HG1 VAL 43 -18.068 1.353 -15.230 308 HG21 VAL 43 1HG2 VAL 43 -15.511 3.431 -16.640 309 HG22 VAL 43 2HG2 VAL 43 -14.105 2.671 -15.893 310 HG23 VAL 43 3HG2 VAL 43 -14.921 1.882 -17.243 311 H GLU 44 H GLU 44 -17.233 3.532 -12.677 312 HA GLU 44 HA GLU 44 -16.017 6.059 -13.527 313 HB2 GLU 44 1HB GLU 44 -18.721 5.369 -12.389 314 HB3 GLU 44 2HB GLU 44 -18.158 7.029 -12.526 315 HG2 GLU 44 1HG GLU 44 -18.136 5.241 -14.916 316 HG3 GLU 44 2HG GLU 44 -19.634 6.007 -14.392 317 H THR 45 H THR 45 -17.759 5.142 -10.566 318 HA THR 45 HA THR 45 -16.276 6.902 -8.927 319 HB THR 45 HB THR 45 -17.875 4.495 -8.040 320 HG1 THR 45 1HG THR 45 -19.580 6.056 -7.848 321 HG21 THR 45 1HG2 THR 45 -17.264 5.101 -5.984 322 HG22 THR 45 2HG2 THR 45 -18.077 6.646 -6.234 323 HG23 THR 45 3HG2 THR 45 -16.365 6.478 -6.620 324 H THR 46 H THR 46 -14.325 6.687 -8.061 325 HA THR 46 HA THR 46 -13.233 3.978 -7.681 326 HB THR 46 HB THR 46 -10.964 4.978 -8.210 327 HG1 THR 46 1HG THR 46 -10.866 6.956 -9.077 328 HG21 THR 46 1HG2 THR 46 -11.526 5.057 -10.758 329 HG22 THR 46 2HG2 THR 46 -13.134 4.562 -10.227 330 HG23 THR 46 3HG2 THR 46 -11.734 3.553 -9.863 331 H TYR 47 H TYR 47 -12.735 3.602 -5.632 332 HA TYR 47 HA TYR 47 -12.972 5.371 -3.542 333 HB2 TYR 47 1HB TYR 47 -11.120 2.982 -3.665 334 HB3 TYR 47 2HB TYR 47 -11.697 3.763 -2.197 335 HD1 TYR 47 2HD TYR 47 -14.552 4.184 -2.883 336 HD2 TYR 47 1HD TYR 47 -12.018 0.829 -3.538 337 HE1 TYR 47 2HE TYR 47 -16.516 2.704 -2.864 338 HE2 TYR 47 1HE TYR 47 -13.976 -0.660 -3.522 339 HH TYR 47 HH TYR 47 -16.741 -0.069 -4.085 340 H ASN 48 H ASN 48 -10.979 5.736 -1.956 341 HA ASN 48 HA ASN 48 -8.956 7.180 -3.535 342 HB2 ASN 48 1HB ASN 48 -10.368 7.808 -0.983 343 HB3 ASN 48 2HB ASN 48 -8.711 8.376 -1.173 344 HD21 ASN 48 1HD2 ASN 48 -11.884 9.130 -1.651 345 HD22 ASN 48 2HD2 ASN 48 -11.704 10.377 -2.833 346 H TYR 49 H TYR 49 -6.941 6.454 -3.444 347 HA TYR 49 HA TYR 49 -6.232 4.510 -1.374 348 HB2 TYR 49 1HB TYR 49 -4.768 5.242 -3.918 349 HB3 TYR 49 2HB TYR 49 -4.346 3.930 -2.823 350 HD1 TYR 49 1HD TYR 49 -6.095 2.075 -2.485 351 HD2 TYR 49 2HD TYR 49 -6.238 4.867 -5.692 352 HE1 TYR 49 1HE TYR 49 -7.562 0.550 -3.738 353 HE2 TYR 49 2HE TYR 49 -7.706 3.351 -6.954 354 HH TYR 49 HH TYR 49 -9.431 1.373 -6.159 355 H GLU 50 H GLU 50 -5.384 5.383 0.400 356 HA GLU 50 HA GLU 50 -3.378 7.518 0.075 357 HB2 GLU 50 1HB GLU 50 -5.365 8.398 1.160 358 HB3 GLU 50 2HB GLU 50 -5.336 7.093 2.338 359 HG2 GLU 50 1HG GLU 50 -3.453 7.952 3.419 360 HG3 GLU 50 2HG GLU 50 -3.045 9.003 2.064 361 H TRP 51 H TRP 51 -1.453 6.564 0.281 362 HA TRP 51 HA TRP 51 -1.084 4.359 2.139 363 HB2 TRP 51 1HB TRP 51 0.760 5.666 0.132 364 HB3 TRP 51 2HB TRP 51 1.254 4.350 1.194 365 HD1 TRP 51 HD TRP 51 -1.023 5.070 -1.811 366 HE1 TRP 51 1HE TRP 51 -1.586 2.837 -2.961 367 HE3 TRP 51 3HE TRP 51 1.061 1.863 1.581 368 HZ2 TRP 51 2HZ TRP 51 -1.199 0.081 -2.491 369 HZ3 TRP 51 3HZ TRP 51 0.921 -0.557 1.157 370 HH2 TRP 51 HH TRP 51 -0.187 -1.427 -0.837 371 H ASN 52 H ASN 52 0.626 4.352 3.727 372 HA ASN 52 HA ASN 52 1.894 6.800 4.503 373 HB2 ASN 52 1HB ASN 52 -0.501 5.794 6.013 374 HB3 ASN 52 2HB ASN 52 0.776 6.675 6.846 375 HD21 ASN 52 1HD2 ASN 52 -1.988 6.893 4.901 376 HD22 ASN 52 2HD2 ASN 52 -1.968 8.602 4.646 377 H LEU 53 H LEU 53 3.621 6.449 5.836 378 HA LEU 53 HA LEU 53 4.314 3.668 6.316 379 HB2 LEU 53 1HB LEU 53 5.900 5.321 5.303 380 HB3 LEU 53 2HB LEU 53 5.955 6.133 6.867 381 HG LEU 53 HG LEU 53 6.947 4.150 7.877 382 HD11 LEU 53 1HD1 LEU 53 6.515 2.994 5.147 383 HD12 LEU 53 2HD1 LEU 53 6.084 2.326 6.720 384 HD13 LEU 53 3HD1 LEU 53 7.773 2.372 6.216 385 HD21 LEU 53 1HD2 LEU 53 8.292 5.194 5.395 386 HD22 LEU 53 2HD2 LEU 53 9.098 4.152 6.568 387 HD23 LEU 53 3HD2 LEU 53 8.506 5.740 7.058 388 H ILE 54 H ILE 54 4.396 2.696 8.257 389 HA ILE 54 HA ILE 54 3.978 4.360 10.652 390 HB ILE 54 HB ILE 54 2.661 2.458 11.608 391 HG12 ILE 54 1HG1 ILE 54 3.071 1.430 8.824 392 HG13 ILE 54 2HG1 ILE 54 3.171 0.567 10.355 393 HG21 ILE 54 1HG2 ILE 54 0.708 3.360 10.881 394 HG22 ILE 54 2HG2 ILE 54 1.812 4.567 10.224 395 HG23 ILE 54 3HG2 ILE 54 1.179 3.292 9.183 396 HD11 ILE 54 1HD1 ILE 54 1.219 -0.271 9.553 397 HD12 ILE 54 2HD1 ILE 54 0.596 1.127 10.431 398 HD13 ILE 54 3HD1 ILE 54 0.810 1.207 8.682 399 H SER 55 H SER 55 5.034 1.165 9.496 400 HA SER 55 HA SER 55 6.807 0.958 11.827 401 HB2 SER 55 1HB SER 55 5.115 -0.901 11.009 402 HB3 SER 55 2HB SER 55 6.427 -1.296 9.898 403 HG SER 55 HG SER 55 6.769 -1.047 12.701 404 H HIS 56 H HIS 56 8.603 2.107 11.298 405 HA HIS 56 HA HIS 56 10.301 0.981 9.230 406 HB2 HIS 56 1HB HIS 56 10.782 3.163 8.202 407 HB3 HIS 56 2HB HIS 56 9.086 2.727 8.019 408 HD1 HIS 56 1HD HIS 56 11.252 5.399 9.185 409 HD2 HIS 56 2HD HIS 56 7.359 4.147 9.919 410 HE1 HIS 56 1HE HIS 56 10.108 7.359 10.269 411 HE2 HIS 56 2HE HIS 56 7.779 6.550 10.781 412 HA PRO 57 HA PRO 57 13.381 1.762 12.271 413 HB2 PRO 57 1HB PRO 57 15.589 1.719 10.693 414 HB3 PRO 57 2HB PRO 57 14.687 0.261 11.123 415 HG2 PRO 57 1HG PRO 57 14.575 1.886 8.611 416 HG3 PRO 57 2HG PRO 57 14.599 0.124 8.803 417 HD2 PRO 57 1HD PRO 57 12.321 1.506 8.320 418 HD3 PRO 57 2HD PRO 57 12.348 0.021 9.292 419 H THR 58 H THR 58 14.363 3.487 13.189 420 HA THR 58 HA THR 58 13.890 6.073 12.366 421 HB THR 58 HB THR 58 14.804 5.155 14.638 422 HG1 THR 58 1HG THR 58 14.230 7.352 14.222 423 HG21 THR 58 1HG2 THR 58 17.389 6.127 13.436 424 HG22 THR 58 2HG2 THR 58 16.967 4.417 13.532 425 HG23 THR 58 3HG2 THR 58 17.134 5.369 15.007 426 H ASP 59 H ASP 59 16.508 3.936 11.481 427 HA ASP 59 HA ASP 59 18.292 5.830 10.425 428 HB2 ASP 59 1HB ASP 59 17.834 2.940 9.661 429 HB3 ASP 59 2HB ASP 59 19.194 3.911 9.103 430 H TYR 60 H TYR 60 15.413 4.346 9.115 431 HA TYR 60 HA TYR 60 15.716 4.800 6.409 432 HB2 TYR 60 1HB TYR 60 13.810 3.591 7.402 433 HB3 TYR 60 2HB TYR 60 13.178 5.110 8.028 434 HD1 TYR 60 1HD TYR 60 14.517 4.045 4.699 435 HD2 TYR 60 2HD TYR 60 11.284 5.745 6.882 436 HE1 TYR 60 1HE TYR 60 13.288 4.392 2.597 437 HE2 TYR 60 2HE TYR 60 10.046 6.095 4.786 438 HH TYR 60 HH TYR 60 11.526 5.591 1.671 439 H GLN 61 H GLN 61 15.473 6.511 5.047 440 HA GLN 61 HA GLN 61 14.888 9.129 6.259 441 HB2 GLN 61 1HB GLN 61 17.023 8.520 4.207 442 HB3 GLN 61 2HB GLN 61 16.588 10.129 4.769 443 HG2 GLN 61 1HG GLN 61 17.405 9.692 6.944 444 HG3 GLN 61 2HG GLN 61 17.565 7.968 6.611 445 HE21 GLN 61 1HE2 GLN 61 18.884 11.141 6.004 446 HE22 GLN 61 2HE2 GLN 61 20.429 10.607 5.444 447 H GLY 62 H GLY 62 14.733 7.036 3.458 448 HA2 GLY 62 1HA GLY 62 13.838 8.563 1.426 449 HA3 GLY 62 2HA GLY 62 13.125 6.999 1.790 450 H GLU 63 H GLU 63 11.756 9.194 0.616 451 HA GLU 63 HA GLU 63 9.761 9.701 2.719 452 HB2 GLU 63 1HB GLU 63 10.627 11.640 0.567 453 HB3 GLU 63 2HB GLU 63 9.322 11.909 1.714 454 HG2 GLU 63 1HG GLU 63 10.995 13.052 2.743 455 HG3 GLU 63 2HG GLU 63 11.217 11.465 3.477 456 H ILE 64 H ILE 64 7.756 9.093 2.215 457 HA ILE 64 HA ILE 64 7.224 8.239 -0.539 458 HB ILE 64 HB ILE 64 5.506 7.667 1.868 459 HG12 ILE 64 1HG1 ILE 64 7.430 5.653 0.783 460 HG13 ILE 64 2HG1 ILE 64 8.033 6.885 1.887 461 HG21 ILE 64 1HG2 ILE 64 5.715 6.543 -0.907 462 HG22 ILE 64 2HG2 ILE 64 4.923 5.665 0.400 463 HG23 ILE 64 3HG2 ILE 64 4.309 7.240 -0.103 464 HD11 ILE 64 1HD1 ILE 64 6.558 6.156 3.611 465 HD12 ILE 64 2HD1 ILE 64 5.726 5.061 2.506 466 HD13 ILE 64 3HD1 ILE 64 7.397 4.744 2.970 467 H LYS 65 H LYS 65 5.191 8.732 -1.535 468 HA LYS 65 HA LYS 65 4.152 11.349 -0.696 469 HB2 LYS 65 1HB LYS 65 3.896 9.973 -3.377 470 HB3 LYS 65 2HB LYS 65 3.383 11.612 -2.995 471 HG2 LYS 65 1HG LYS 65 6.231 10.883 -2.554 472 HG3 LYS 65 2HG LYS 65 5.664 11.131 -4.208 473 HD2 LYS 65 1HD LYS 65 4.636 13.320 -3.219 474 HD3 LYS 65 2HD LYS 65 5.830 13.075 -1.942 475 HE2 LYS 65 1HE LYS 65 7.629 13.187 -3.486 476 HE3 LYS 65 2HE LYS 65 6.539 13.087 -4.867 477 HZ1 LYS 65 1HZ LYS 65 6.376 15.332 -2.957 478 HZ2 LYS 65 2HZ LYS 65 5.814 15.256 -4.550 479 HZ3 LYS 65 3HZ LYS 65 7.475 15.360 -4.243 480 H GLN 66 H GLN 66 3.309 8.890 0.562 481 HA GLN 66 HA GLN 66 1.437 7.715 1.136 482 HB2 GLN 66 1HB GLN 66 0.241 10.388 0.395 483 HB3 GLN 66 2HB GLN 66 -0.651 9.112 1.213 484 HG2 GLN 66 1HG GLN 66 0.439 9.416 3.185 485 HG3 GLN 66 2HG GLN 66 1.916 9.987 2.409 486 HE21 GLN 66 1HE2 GLN 66 1.481 12.110 1.119 487 HE22 GLN 66 2HE2 GLN 66 0.654 13.336 2.012 488 H GLY 67 H GLY 67 2.296 7.633 -1.720 489 HA2 GLY 67 1HA GLY 67 1.431 7.105 -3.824 490 HA3 GLY 67 2HA GLY 67 0.698 5.838 -2.851 491 H HIS 68 H HIS 68 0.192 9.087 -4.141 492 HA HIS 68 HA HIS 68 -2.470 9.435 -3.396 493 HB2 HIS 68 1HB HIS 68 -0.784 10.499 -5.631 494 HB3 HIS 68 2HB HIS 68 -2.512 10.836 -5.617 495 HD1 HIS 68 1HD HIS 68 -0.353 10.761 -2.524 496 HD2 HIS 68 2HD HIS 68 -2.342 13.497 -4.937 497 HE1 HIS 68 1HE HIS 68 -0.230 12.953 -1.298 498 HE2 HIS 68 2HE HIS 68 -1.514 14.574 -2.737 499 H LYS 69 H LYS 69 -1.140 7.163 -5.503 500 HA LYS 69 HA LYS 69 -3.754 6.703 -6.782 501 HB2 LYS 69 1HB LYS 69 -0.948 6.280 -7.750 502 HB3 LYS 69 2HB LYS 69 -2.258 5.307 -8.408 503 HG2 LYS 69 1HG LYS 69 -3.203 7.065 -9.506 504 HG3 LYS 69 2HG LYS 69 -2.611 8.254 -8.343 505 HD2 LYS 69 1HD LYS 69 -0.275 7.661 -9.260 506 HD3 LYS 69 2HD LYS 69 -1.152 6.944 -10.614 507 HE2 LYS 69 1HE LYS 69 -0.659 9.139 -11.293 508 HE3 LYS 69 2HE LYS 69 -2.355 9.175 -10.812 509 HZ1 LYS 69 1HZ LYS 69 -1.829 10.831 -9.460 510 HZ2 LYS 69 2HZ LYS 69 -0.176 10.654 -9.770 511 HZ3 LYS 69 3HZ LYS 69 -0.905 9.755 -8.537 512 H GLN 70 H GLN 70 -3.837 4.249 -7.527 513 HA GLN 70 HA GLN 70 -4.113 2.720 -5.192 514 HB2 GLN 70 1HB GLN 70 -5.482 2.015 -6.925 515 HB3 GLN 70 2HB GLN 70 -4.195 2.111 -8.119 516 HG2 GLN 70 1HG GLN 70 -4.092 0.086 -5.923 517 HG3 GLN 70 2HG GLN 70 -5.048 -0.200 -7.377 518 HE21 GLN 70 1HE2 GLN 70 -3.992 -0.399 -9.370 519 HE22 GLN 70 2HE2 GLN 70 -2.308 -0.769 -9.470 520 H THR 71 H THR 71 -1.454 3.117 -7.403 521 HA THR 71 HA THR 71 0.040 0.973 -6.064 522 HB THR 71 HB THR 71 1.746 1.668 -7.975 523 HG1 THR 71 1HG THR 71 -0.686 2.177 -9.318 524 HG21 THR 71 1HG2 THR 71 -0.626 0.143 -8.946 525 HG22 THR 71 2HG2 THR 71 0.270 -0.478 -7.560 526 HG23 THR 71 3HG2 THR 71 1.091 -0.226 -9.099 527 H LEU 72 H LEU 72 1.977 1.348 -5.031 528 HA LEU 72 HA LEU 72 2.742 4.171 -4.678 529 HB2 LEU 72 1HB LEU 72 1.666 3.440 -2.668 530 HB3 LEU 72 2HB LEU 72 2.632 1.967 -2.629 531 HG LEU 72 HG LEU 72 4.626 3.266 -2.119 532 HD11 LEU 72 1HD1 LEU 72 4.776 5.429 -2.567 533 HD12 LEU 72 2HD1 LEU 72 3.452 5.779 -1.457 534 HD13 LEU 72 3HD1 LEU 72 3.110 5.410 -3.147 535 HD21 LEU 72 1HD2 LEU 72 4.168 3.406 0.087 536 HD22 LEU 72 2HD2 LEU 72 2.653 2.647 -0.403 537 HD23 LEU 72 3HD2 LEU 72 2.727 4.393 -0.162 538 H ASN 73 H ASN 73 4.575 4.390 -5.801 539 HA ASN 73 HA ASN 73 6.542 2.234 -5.819 540 HB2 ASN 73 1HB ASN 73 5.990 4.614 -7.504 541 HB3 ASN 73 2HB ASN 73 7.677 4.128 -7.360 542 HD21 ASN 73 1HD2 ASN 73 4.507 2.592 -7.815 543 HD22 ASN 73 2HD2 ASN 73 5.019 1.520 -9.070 544 H LEU 74 H LEU 74 8.405 2.276 -4.714 545 HA LEU 74 HA LEU 74 9.070 4.747 -3.252 546 HB2 LEU 74 1HB LEU 74 9.124 1.877 -2.480 547 HB3 LEU 74 2HB LEU 74 10.353 2.943 -1.800 548 HG LEU 74 HG LEU 74 8.295 4.407 -1.125 549 HD11 LEU 74 1HD1 LEU 74 7.051 1.679 -1.439 550 HD12 LEU 74 2HD1 LEU 74 6.619 3.139 -2.328 551 HD13 LEU 74 3HD1 LEU 74 6.322 3.044 -0.593 552 HD21 LEU 74 1HD2 LEU 74 8.078 2.988 0.969 553 HD22 LEU 74 2HD2 LEU 74 9.702 3.528 0.544 554 HD23 LEU 74 3HD2 LEU 74 9.206 1.869 0.203 555 H SER 75 H SER 75 11.366 5.086 -2.802 556 HA SER 75 HA SER 75 13.229 3.699 -4.566 557 HB2 SER 75 1HB SER 75 14.003 5.648 -5.679 558 HB3 SER 75 2HB SER 75 12.244 5.723 -5.775 559 HG SER 75 HG SER 75 13.975 7.438 -4.596 560 H GLN 76 H GLN 76 15.519 4.552 -4.185 561 HA GLN 76 HA GLN 76 17.220 4.515 -2.645 562 HB2 GLN 76 1HB GLN 76 15.653 6.917 -1.688 563 HB3 GLN 76 2HB GLN 76 17.338 6.584 -1.311 564 HG2 GLN 76 1HG GLN 76 17.588 6.532 -3.918 565 HG3 GLN 76 2HG GLN 76 16.107 7.487 -3.863 566 HE21 GLN 76 1HE2 GLN 76 16.864 9.434 -4.458 567 HE22 GLN 76 2HE2 GLN 76 18.065 10.325 -3.594 568 H LEU 77 H LEU 77 15.357 2.653 -1.904 569 HA LEU 77 HA LEU 77 14.652 3.032 0.875 570 HB2 LEU 77 1HB LEU 77 14.317 0.778 -1.079 571 HB3 LEU 77 2HB LEU 77 13.942 0.585 0.632 572 HG LEU 77 HG LEU 77 12.650 2.678 -1.106 573 HD11 LEU 77 1HD1 LEU 77 12.036 0.629 -2.112 574 HD12 LEU 77 2HD1 LEU 77 10.687 1.096 -1.076 575 HD13 LEU 77 3HD1 LEU 77 11.812 -0.156 -0.549 576 HD21 LEU 77 1HD2 LEU 77 11.729 3.361 0.791 577 HD22 LEU 77 2HD2 LEU 77 12.660 2.154 1.680 578 HD23 LEU 77 3HD2 LEU 77 11.059 1.751 1.058 579 H SER 78 H SER 78 15.977 2.639 2.509 580 HA SER 78 HA SER 78 18.498 1.315 2.088 581 HB2 SER 78 1HB SER 78 17.908 3.330 3.674 582 HB3 SER 78 2HB SER 78 17.487 2.049 4.812 583 HG SER 78 HG SER 78 19.566 2.179 5.213 584 H VAL 79 H VAL 79 19.199 -0.261 3.929 585 HA VAL 79 HA VAL 79 17.546 -2.582 3.678 586 HB VAL 79 HB VAL 79 20.032 -2.149 5.341 587 HG11 VAL 79 1HG1 VAL 79 19.176 -4.842 4.441 588 HG12 VAL 79 2HG1 VAL 79 20.041 -4.355 5.899 589 HG13 VAL 79 3HG1 VAL 79 18.298 -4.115 5.786 590 HG21 VAL 79 1HG2 VAL 79 19.880 -3.663 2.760 591 HG22 VAL 79 2HG2 VAL 79 20.114 -1.915 2.772 592 HG23 VAL 79 3HG2 VAL 79 21.289 -2.968 3.561 593 H GLY 80 H GLY 80 15.733 -2.784 4.828 594 HA2 GLY 80 1HA GLY 80 15.665 -3.162 7.566 595 HA3 GLY 80 2HA GLY 80 15.289 -1.464 7.313 596 H LEU 81 H LEU 81 13.367 -2.759 8.512 597 HA LEU 81 HA LEU 81 11.510 -3.895 6.589 598 HB2 LEU 81 1HB LEU 81 11.672 -4.944 8.755 599 HB3 LEU 81 2HB LEU 81 11.306 -3.418 9.558 600 HG LEU 81 HG LEU 81 9.043 -3.522 8.414 601 HD11 LEU 81 1HD1 LEU 81 10.178 -5.602 7.026 602 HD12 LEU 81 2HD1 LEU 81 8.456 -5.238 7.117 603 HD13 LEU 81 3HD1 LEU 81 9.165 -6.423 8.214 604 HD21 LEU 81 1HD2 LEU 81 9.172 -5.891 10.154 605 HD22 LEU 81 2HD2 LEU 81 8.195 -4.429 10.292 606 HD23 LEU 81 3HD2 LEU 81 9.878 -4.419 10.821 607 H TYR 82 H TYR 82 9.587 -2.984 5.950 608 HA TYR 82 HA TYR 82 8.899 -0.323 6.945 609 HB2 TYR 82 1HB TYR 82 9.111 -0.884 3.985 610 HB3 TYR 82 2HB TYR 82 8.781 0.660 4.762 611 HD1 TYR 82 2HD TYR 82 10.626 1.706 6.173 612 HD2 TYR 82 1HD TYR 82 11.313 -1.543 3.513 613 HE1 TYR 82 2HE TYR 82 13.030 2.226 6.167 614 HE2 TYR 82 1HE TYR 82 13.719 -1.033 3.500 615 HH TYR 82 HH TYR 82 15.082 1.420 4.041 616 H VAL 83 H VAL 83 6.826 -0.346 7.470 617 HA VAL 83 HA VAL 83 5.017 -2.165 6.023 618 HB VAL 83 HB VAL 83 4.741 -1.019 8.806 619 HG11 VAL 83 1HG1 VAL 83 2.729 -2.266 9.026 620 HG12 VAL 83 2HG1 VAL 83 2.597 -1.336 7.532 621 HG13 VAL 83 3HG1 VAL 83 2.974 -3.059 7.470 622 HG21 VAL 83 1HG2 VAL 83 6.440 -2.889 8.334 623 HG22 VAL 83 2HG2 VAL 83 5.285 -3.129 9.646 624 HG23 VAL 83 3HG2 VAL 83 5.028 -3.918 8.090 625 H PHE 84 H PHE 84 3.854 -1.137 4.540 626 HA PHE 84 HA PHE 84 3.057 1.645 5.018 627 HB2 PHE 84 1HB PHE 84 2.703 0.180 2.416 628 HB3 PHE 84 2HB PHE 84 2.852 1.912 2.694 629 HD1 PHE 84 2HD PHE 84 5.096 2.813 3.451 630 HD2 PHE 84 1HD PHE 84 4.570 -1.117 1.904 631 HE1 PHE 84 2HE PHE 84 7.505 2.683 2.972 632 HE2 PHE 84 1HE PHE 84 6.980 -1.254 1.423 633 HZ PHE 84 HZ PHE 84 8.450 0.649 1.956 634 H LYS 85 H LYS 85 1.042 2.103 5.586 635 HA LYS 85 HA LYS 85 -1.013 0.027 5.273 636 HB2 LYS 85 1HB LYS 85 -0.751 0.655 7.561 637 HB3 LYS 85 2HB LYS 85 -0.773 2.368 7.161 638 HG2 LYS 85 1HG LYS 85 -3.124 2.164 6.485 639 HG3 LYS 85 2HG LYS 85 -3.093 0.459 6.943 640 HD2 LYS 85 1HD LYS 85 -4.040 1.583 8.783 641 HD3 LYS 85 2HD LYS 85 -2.370 1.252 9.249 642 HE2 LYS 85 1HE LYS 85 -3.148 3.854 7.977 643 HE3 LYS 85 2HE LYS 85 -3.334 3.594 9.711 644 HZ1 LYS 85 1HZ LYS 85 -0.802 2.747 9.192 645 HZ2 LYS 85 2HZ LYS 85 -1.226 4.243 9.856 646 HZ3 LYS 85 3HZ LYS 85 -0.961 4.102 8.192 647 H VAL 86 H VAL 86 -2.214 0.288 3.510 648 HA VAL 86 HA VAL 86 -2.692 2.951 2.432 649 HB VAL 86 HB VAL 86 -2.174 1.483 0.703 650 HG11 VAL 86 1HG1 VAL 86 -3.647 -0.726 0.572 651 HG12 VAL 86 2HG1 VAL 86 -2.136 -0.655 1.481 652 HG13 VAL 86 3HG1 VAL 86 -3.680 -0.496 2.320 653 HG21 VAL 86 1HG2 VAL 86 -5.162 1.211 0.665 654 HG22 VAL 86 2HG2 VAL 86 -4.376 2.776 0.457 655 HG23 VAL 86 3HG2 VAL 86 -4.057 1.471 -0.684 656 H THR 87 H THR 87 -4.257 4.024 3.483 657 HA THR 87 HA THR 87 -6.630 2.641 4.430 658 HB THR 87 HB THR 87 -6.105 5.609 4.567 659 HG1 THR 87 1HG THR 87 -5.525 3.841 6.689 660 HG21 THR 87 1HG2 THR 87 -7.882 5.728 5.957 661 HG22 THR 87 2HG2 THR 87 -7.520 4.180 6.719 662 HG23 THR 87 3HG2 THR 87 -8.357 4.225 5.168 663 H VAL 88 H VAL 88 -8.190 2.231 3.007 664 HA VAL 88 HA VAL 88 -8.880 4.328 1.051 665 HB VAL 88 HB VAL 88 -9.068 1.332 0.718 666 HG11 VAL 88 1HG1 VAL 88 -10.995 2.245 -0.321 667 HG12 VAL 88 2HG1 VAL 88 -10.071 3.577 -1.018 668 HG13 VAL 88 3HG1 VAL 88 -9.829 1.931 -1.606 669 HG21 VAL 88 1HG2 VAL 88 -7.211 1.422 -0.553 670 HG22 VAL 88 2HG2 VAL 88 -7.632 2.990 -1.243 671 HG23 VAL 88 3HG2 VAL 88 -6.892 2.900 0.355 672 H SER 89 H SER 89 -10.716 5.276 1.623 673 HA SER 89 HA SER 89 -12.953 3.588 2.504 674 HB2 SER 89 1HB SER 89 -13.512 4.996 4.304 675 HB3 SER 89 2HB SER 89 -11.757 4.857 4.410 676 HG SER 89 HG SER 89 -11.722 6.942 4.259 677 H SER 90 H SER 90 -15.069 4.609 2.221 678 HA SER 90 HA SER 90 -15.069 6.679 0.126 679 HB2 SER 90 1HB SER 90 -16.568 5.509 -1.207 680 HB3 SER 90 2HB SER 90 -15.571 4.199 -0.576 681 HG SER 90 HG SER 90 -17.310 4.252 1.187 682 H GLU 91 H GLU 91 -17.600 7.282 -0.192 683 HA GLU 91 HA GLU 91 -18.295 8.797 2.040 684 HB2 GLU 91 1HB GLU 91 -19.131 9.435 -0.103 685 HB3 GLU 91 2HB GLU 91 -19.927 7.884 -0.326 686 HG2 GLU 91 1HG GLU 91 -21.629 8.400 1.169 687 HG3 GLU 91 2HG GLU 91 -20.703 9.696 1.923 688 H ASN 92 H ASN 92 -19.290 5.570 1.067 689 HA ASN 92 HA ASN 92 -20.611 5.266 3.679 690 HB2 ASN 92 1HB ASN 92 -21.619 4.506 0.958 691 HB3 ASN 92 2HB ASN 92 -22.113 3.573 2.367 692 HD21 ASN 92 1HD2 ASN 92 -23.056 5.955 0.405 693 HD22 ASN 92 2HD2 ASN 92 -24.053 6.872 1.478 694 H ALA 93 H ALA 93 -17.915 4.614 2.968 695 HA ALA 93 HA ALA 93 -17.924 1.832 3.758 696 HB1 ALA 93 1HB ALA 93 -17.983 1.997 1.172 697 HB2 ALA 93 2HB ALA 93 -16.290 2.465 1.335 698 HB3 ALA 93 3HB ALA 93 -16.835 0.901 1.941 699 H PHE 94 H PHE 94 -15.640 1.049 4.138 700 HA PHE 94 HA PHE 94 -13.565 2.996 4.431 701 HB2 PHE 94 1HB PHE 94 -14.563 3.768 6.382 702 HB3 PHE 94 2HB PHE 94 -15.204 2.183 6.802 703 HD1 PHE 94 1HD PHE 94 -11.843 3.698 6.202 704 HD2 PHE 94 2HD PHE 94 -14.285 1.231 8.664 705 HE1 PHE 94 1HE PHE 94 -9.941 3.338 7.722 706 HE2 PHE 94 2HE PHE 94 -12.389 0.868 10.189 707 HZ PHE 94 HZ PHE 94 -10.213 1.923 9.719 708 H GLY 95 H GLY 95 -11.667 1.984 4.265 709 HA2 GLY 95 1HA GLY 95 -11.329 -0.695 5.361 710 HA3 GLY 95 2HA GLY 95 -11.178 -0.548 3.616 711 H GLU 96 H GLU 96 -9.149 -1.397 5.477 712 HA GLU 96 HA GLU 96 -7.098 0.557 4.758 713 HB2 GLU 96 1HB GLU 96 -7.534 -0.515 7.548 714 HB3 GLU 96 2HB GLU 96 -6.066 0.302 7.032 715 HG2 GLU 96 1HG GLU 96 -7.649 2.221 6.347 716 HG3 GLU 96 2HG GLU 96 -8.814 1.417 7.398 717 H GLY 97 H GLY 97 -5.150 -0.330 4.228 718 HA2 GLY 97 1HA GLY 97 -4.988 -3.275 4.402 719 HA3 GLY 97 2HA GLY 97 -4.336 -2.335 3.069 720 H PHE 98 H PHE 98 -2.762 -4.160 4.381 721 HA PHE 98 HA PHE 98 -0.707 -2.411 5.466 722 HB2 PHE 98 1HB PHE 98 -1.846 -4.763 6.982 723 HB3 PHE 98 2HB PHE 98 -0.296 -4.022 7.366 724 HD1 PHE 98 2HD PHE 98 -3.929 -3.369 7.141 725 HD2 PHE 98 1HD PHE 98 -0.173 -2.080 8.672 726 HE1 PHE 98 2HE PHE 98 -5.077 -1.713 8.553 727 HE2 PHE 98 1HE PHE 98 -1.315 -0.424 10.088 728 HZ PHE 98 HZ PHE 98 -3.770 -0.238 10.029 729 H VAL 99 H VAL 99 1.189 -2.906 4.588 730 HA VAL 99 HA VAL 99 1.724 -5.683 3.802 731 HB VAL 99 HB VAL 99 0.959 -4.367 1.809 732 HG11 VAL 99 1HG1 VAL 99 2.269 -2.626 0.902 733 HG12 VAL 99 2HG1 VAL 99 2.077 -2.239 2.613 734 HG13 VAL 99 3HG1 VAL 99 3.591 -2.930 2.028 735 HG21 VAL 99 1HG2 VAL 99 2.178 -5.800 0.625 736 HG22 VAL 99 2HG2 VAL 99 3.655 -4.897 0.961 737 HG23 VAL 99 3HG2 VAL 99 3.108 -6.143 2.083 738 H ASN 100 H ASN 100 3.767 -6.364 4.177 739 HA ASN 100 HA ASN 100 5.641 -4.382 5.280 740 HB2 ASN 100 1HB ASN 100 5.746 -7.366 5.722 741 HB3 ASN 100 2HB ASN 100 6.578 -6.107 6.631 742 HD21 ASN 100 1HD2 ASN 100 5.706 -6.892 8.561 743 HD22 ASN 100 2HD2 ASN 100 4.057 -6.607 8.993 744 H VAL 101 H VAL 101 7.559 -4.061 4.330 745 HA VAL 101 HA VAL 101 8.424 -5.972 2.260 746 HB VAL 101 HB VAL 101 8.569 -2.957 2.119 747 HG11 VAL 101 1HG1 VAL 101 9.287 -4.400 -0.288 748 HG12 VAL 101 2HG1 VAL 101 10.145 -3.105 0.551 749 HG13 VAL 101 3HG1 VAL 101 10.365 -4.781 1.055 750 HG21 VAL 101 1HG2 VAL 101 6.517 -3.205 1.262 751 HG22 VAL 101 2HG2 VAL 101 7.331 -3.873 -0.153 752 HG23 VAL 101 3HG2 VAL 101 6.702 -4.951 1.092 753 H THR 102 H THR 102 10.451 -6.679 2.452 754 HA THR 102 HA THR 102 12.216 -5.304 4.367 755 HB THR 102 HB THR 102 12.316 -8.202 3.506 756 HG1 THR 102 1HG THR 102 10.942 -6.873 5.512 757 HG21 THR 102 1HG2 THR 102 13.803 -8.337 5.573 758 HG22 THR 102 2HG2 THR 102 13.904 -6.579 5.481 759 HG23 THR 102 3HG2 THR 102 14.496 -7.568 4.146 760 H VAL 103 H VAL 103 14.238 -4.699 3.772 761 HA VAL 103 HA VAL 103 15.005 -5.211 0.971 762 HB VAL 103 HB VAL 103 15.716 -2.823 2.681 763 HG11 VAL 103 1HG1 VAL 103 16.650 -1.902 0.601 764 HG12 VAL 103 2HG1 VAL 103 17.487 -3.369 1.113 765 HG13 VAL 103 3HG1 VAL 103 16.322 -3.433 -0.211 766 HG21 VAL 103 1HG2 VAL 103 14.099 -1.597 1.604 767 HG22 VAL 103 2HG2 VAL 103 14.072 -2.662 0.198 768 HG23 VAL 103 3HG2 VAL 103 13.304 -3.169 1.703 769 H LYS 104 H LYS 104 16.593 -6.647 0.852 770 HA LYS 104 HA LYS 104 18.425 -7.044 3.059 771 HB2 LYS 104 1HB LYS 104 18.435 -8.399 0.360 772 HB3 LYS 104 2HB LYS 104 19.228 -8.951 1.829 773 HG2 LYS 104 1HG LYS 104 16.251 -8.628 1.661 774 HG3 LYS 104 2HG LYS 104 17.068 -10.109 1.156 775 HD2 LYS 104 1HD LYS 104 18.202 -9.847 3.541 776 HD3 LYS 104 2HD LYS 104 16.714 -8.957 3.873 777 HE2 LYS 104 1HE LYS 104 16.337 -11.225 4.489 778 HE3 LYS 104 2HE LYS 104 15.446 -10.933 2.996 779 HZ1 LYS 104 1HZ LYS 104 16.775 -12.311 1.823 780 HZ2 LYS 104 2HZ LYS 104 17.005 -13.031 3.337 781 HZ3 LYS 104 3HZ LYS 104 18.161 -11.957 2.727 782 HA PRO 105 HA PRO 105 21.699 -4.523 1.557 783 HB2 PRO 105 1HB PRO 105 23.821 -5.824 2.642 784 HB3 PRO 105 2HB PRO 105 22.699 -4.850 3.600 785 HG2 PRO 105 1HG PRO 105 22.789 -7.819 3.227 786 HG3 PRO 105 2HG PRO 105 22.521 -6.885 4.710 787 HD2 PRO 105 1HD PRO 105 20.496 -8.023 3.318 788 HD3 PRO 105 2HD PRO 105 20.301 -6.505 4.219 789 H ALA 106 H ALA 106 23.430 -4.472 0.067 790 HA ALA 106 HA ALA 106 23.242 -6.300 -2.069 791 HB1 ALA 106 1HB ALA 106 24.369 -4.726 -3.163 792 HB2 ALA 106 2HB ALA 106 24.383 -3.798 -1.663 793 HB3 ALA 106 3HB ALA 106 25.741 -4.849 -2.062 794 H ARG 107 H ARG 107 23.827 -8.369 -1.875 795 HA ARG 107 HA ARG 107 26.020 -9.175 -0.183 796 HB2 ARG 107 1HB ARG 107 25.443 -11.461 -0.934 797 HB3 ARG 107 2HB ARG 107 24.058 -10.590 -0.291 798 HG2 ARG 107 1HG ARG 107 23.375 -10.067 -2.619 799 HG3 ARG 107 2HG ARG 107 24.695 -11.091 -3.188 800 HD2 ARG 107 1HD ARG 107 22.947 -12.579 -3.218 801 HD3 ARG 107 2HD ARG 107 23.598 -12.862 -1.604 802 HE ARG 107 HE ARG 107 21.693 -10.917 -1.280 803 HH11 ARG 107 2HH1 ARG 107 21.763 -14.162 -2.539 804 HH12 ARG 107 1HH1 ARG 107 20.124 -14.508 -2.097 805 HH21 ARG 107 2HH2 ARG 107 19.534 -11.361 -0.693 806 HH22 ARG 107 1HH2 ARG 107 18.857 -12.914 -1.048 807 H SER 108 H SER 108 26.892 -7.448 -2.188 808 HA SER 108 HA SER 108 28.082 -9.036 -4.300 809 HB2 SER 108 1HB SER 108 27.394 -6.878 -5.000 810 HB3 SER 108 2HB SER 108 28.152 -6.099 -3.611 811 HG SER 108 HG SER 108 29.272 -6.046 -5.758 812 H GLY 109 H GLY 109 29.277 -6.997 -1.628 813 HA2 GLY 109 1HA GLY 109 31.408 -8.830 -1.062 814 HA3 GLY 109 2HA GLY 109 31.979 -7.381 -1.876 815 HA PRO 110 HA PRO 110 30.622 -6.657 2.750 816 HB2 PRO 110 1HB PRO 110 32.211 -8.233 4.287 817 HB3 PRO 110 2HB PRO 110 30.600 -8.724 3.752 818 HG2 PRO 110 1HG PRO 110 33.274 -9.448 2.618 819 HG3 PRO 110 2HG PRO 110 31.862 -10.483 2.903 820 HD2 PRO 110 1HD PRO 110 32.479 -9.500 0.456 821 HD3 PRO 110 2HD PRO 110 30.806 -9.786 0.976 822 H SER 111 H SER 111 33.523 -6.947 1.001 823 HA SER 111 HA SER 111 35.328 -5.743 2.825 824 HB2 SER 111 1HB SER 111 35.969 -7.057 0.772 825 HB3 SER 111 2HB SER 111 35.488 -5.663 -0.194 826 HG SER 111 HG SER 111 37.506 -5.722 1.802 827 H SER 112 H SER 112 33.857 -4.040 3.603 828 HA SER 112 HA SER 112 33.241 -1.846 1.846 829 HB2 SER 112 1HB SER 112 32.999 -2.162 4.846 830 HB3 SER 112 2HB SER 112 32.452 -0.741 3.956 831 HG SER 112 HG SER 112 31.551 -3.402 3.538 832 H GLY 113 H GLY 113 34.116 0.241 1.907 833 HA2 GLY 113 1HA GLY 113 35.677 1.780 3.084 834 HA3 GLY 113 2HA GLY 113 36.769 0.409 3.202 Start of MODEL 14 1 H1 GLY 1 H GLY 1 -24.179 14.214 26.695 2 HA2 GLY 1 1HA GLY 1 -22.778 11.974 27.701 3 HA3 GLY 1 2HA GLY 1 -23.971 12.493 28.882 4 H SER 2 H SER 2 -23.420 10.615 26.156 5 HA SER 2 HA SER 2 -26.317 10.230 25.796 6 HB2 SER 2 1HB SER 2 -24.181 10.267 23.654 7 HB3 SER 2 2HB SER 2 -25.832 9.706 23.390 8 HG SER 2 HG SER 2 -25.275 12.271 24.437 9 H SER 3 H SER 3 -26.773 8.316 26.660 10 HA SER 3 HA SER 3 -24.844 6.206 26.851 11 HB2 SER 3 1HB SER 3 -27.707 6.555 27.658 12 HB3 SER 3 2HB SER 3 -27.020 4.931 27.615 13 HG SER 3 HG SER 3 -26.829 6.575 29.576 14 H GLY 4 H GLY 4 -24.265 5.604 24.771 15 HA2 GLY 4 1HA GLY 4 -24.695 3.698 23.305 16 HA3 GLY 4 2HA GLY 4 -26.382 4.191 23.272 17 H SER 5 H SER 5 -24.200 3.818 21.174 18 HA SER 5 HA SER 5 -23.334 6.128 20.014 19 HB2 SER 5 1HB SER 5 -22.828 3.906 19.107 20 HB3 SER 5 2HB SER 5 -24.500 3.733 18.572 21 HG SER 5 HG SER 5 -23.121 5.995 17.719 22 H SER 6 H SER 6 -24.197 7.845 19.019 23 HA SER 6 HA SER 6 -27.075 8.116 18.990 24 HB2 SER 6 1HB SER 6 -24.904 10.068 18.186 25 HB3 SER 6 2HB SER 6 -26.619 10.452 18.331 26 HG SER 6 HG SER 6 -25.729 11.021 20.251 27 H GLY 7 H GLY 7 -27.638 6.599 17.363 28 HA2 GLY 7 1HA GLY 7 -28.582 6.619 15.166 29 HA3 GLY 7 2HA GLY 7 -27.278 7.680 14.653 30 HA PRO 8 HA PRO 8 -26.310 2.945 14.247 31 HB2 PRO 8 1HB PRO 8 -27.747 2.177 12.075 32 HB3 PRO 8 2HB PRO 8 -28.344 2.009 13.731 33 HG2 PRO 8 1HG PRO 8 -28.951 4.127 11.704 34 HG3 PRO 8 2HG PRO 8 -30.054 3.288 12.811 35 HD2 PRO 8 1HD PRO 8 -29.114 5.780 13.301 36 HD3 PRO 8 2HD PRO 8 -29.476 4.624 14.599 37 H ARG 9 H ARG 9 -26.175 5.783 12.573 38 HA ARG 9 HA ARG 9 -25.348 5.491 10.056 39 HB2 ARG 9 1HB ARG 9 -24.179 7.119 12.281 40 HB3 ARG 9 2HB ARG 9 -23.402 7.129 10.703 41 HG2 ARG 9 1HG ARG 9 -26.322 7.726 11.044 42 HG3 ARG 9 2HG ARG 9 -25.079 8.970 11.187 43 HD2 ARG 9 1HD ARG 9 -25.517 7.200 8.785 44 HD3 ARG 9 2HD ARG 9 -26.053 8.873 8.930 45 HE ARG 9 HE ARG 9 -23.860 9.584 8.660 46 HH11 ARG 9 2HH1 ARG 9 -24.031 6.112 8.848 47 HH12 ARG 9 1HH1 ARG 9 -22.413 5.871 8.278 48 HH21 ARG 9 2HH2 ARG 9 -21.728 9.280 7.909 49 HH22 ARG 9 1HH2 ARG 9 -21.103 7.674 7.745 50 H THR 10 H THR 10 -24.344 3.753 9.243 51 HA THR 10 HA THR 10 -21.665 3.125 10.280 52 HB THR 10 HB THR 10 -22.105 0.708 9.763 53 HG1 THR 10 1HG THR 10 -24.187 1.498 8.579 54 HG21 THR 10 1HG2 THR 10 -22.871 2.238 12.024 55 HG22 THR 10 2HG2 THR 10 -22.396 0.540 11.964 56 HG23 THR 10 3HG2 THR 10 -24.093 0.989 11.788 57 H VAL 11 H VAL 11 -20.216 2.196 8.735 58 HA VAL 11 HA VAL 11 -20.946 2.850 5.958 59 HB VAL 11 HB VAL 11 -18.616 3.231 5.497 60 HG11 VAL 11 1HG1 VAL 11 -19.865 5.095 6.461 61 HG12 VAL 11 2HG1 VAL 11 -19.396 4.579 8.082 62 HG13 VAL 11 3HG1 VAL 11 -18.171 5.147 6.947 63 HG21 VAL 11 1HG2 VAL 11 -17.808 1.424 7.050 64 HG22 VAL 11 2HG2 VAL 11 -16.855 2.908 7.061 65 HG23 VAL 11 3HG2 VAL 11 -17.990 2.580 8.370 66 H LYS 12 H LYS 12 -19.718 1.554 4.297 67 HA LYS 12 HA LYS 12 -20.295 -1.193 4.633 68 HB2 LYS 12 1HB LYS 12 -19.005 0.471 2.523 69 HB3 LYS 12 2HB LYS 12 -18.763 -1.269 2.459 70 HG2 LYS 12 1HG LYS 12 -21.387 -1.289 2.751 71 HG3 LYS 12 2HG LYS 12 -21.233 0.323 2.049 72 HD2 LYS 12 1HD LYS 12 -19.727 -0.899 0.299 73 HD3 LYS 12 2HD LYS 12 -20.579 -2.340 0.859 74 HE2 LYS 12 1HE LYS 12 -21.888 0.167 -0.192 75 HE3 LYS 12 2HE LYS 12 -21.643 -1.316 -1.113 76 HZ1 LYS 12 1HZ LYS 12 -23.647 -1.882 -0.362 77 HZ2 LYS 12 2HZ LYS 12 -23.654 -0.688 0.836 78 HZ3 LYS 12 3HZ LYS 12 -22.901 -2.175 1.128 79 H GLU 13 H GLU 13 -18.546 -2.881 4.005 80 HA GLU 13 HA GLU 13 -16.111 -2.334 5.572 81 HB2 GLU 13 1HB GLU 13 -16.163 -4.795 6.150 82 HB3 GLU 13 2HB GLU 13 -17.412 -3.809 6.898 83 HG2 GLU 13 1HG GLU 13 -18.952 -4.546 5.058 84 HG3 GLU 13 2HG GLU 13 -17.704 -5.694 4.577 85 H LEU 14 H LEU 14 -14.987 -1.794 3.654 86 HA LEU 14 HA LEU 14 -14.776 -3.723 1.519 87 HB2 LEU 14 1HB LEU 14 -13.043 -1.303 1.931 88 HB3 LEU 14 2HB LEU 14 -13.396 -2.145 0.423 89 HG LEU 14 HG LEU 14 -15.499 -0.661 1.982 90 HD11 LEU 14 1HD1 LEU 14 -15.159 1.219 0.496 91 HD12 LEU 14 2HD1 LEU 14 -13.824 0.385 -0.296 92 HD13 LEU 14 3HD1 LEU 14 -13.677 0.880 1.390 93 HD21 LEU 14 1HD2 LEU 14 -15.951 -2.451 0.135 94 HD22 LEU 14 2HD2 LEU 14 -15.485 -1.152 -0.963 95 HD23 LEU 14 3HD2 LEU 14 -16.847 -0.932 0.136 96 H THR 15 H THR 15 -13.133 -5.118 1.123 97 HA THR 15 HA THR 15 -11.212 -5.520 3.290 98 HB THR 15 HB THR 15 -11.883 -7.301 0.939 99 HG1 THR 15 1HG THR 15 -12.479 -7.816 3.657 100 HG21 THR 15 1HG2 THR 15 -10.361 -8.830 1.682 101 HG22 THR 15 2HG2 THR 15 -10.492 -8.308 3.361 102 HG23 THR 15 3HG2 THR 15 -9.544 -7.361 2.215 103 H VAL 16 H VAL 16 -9.625 -4.005 2.921 104 HA VAL 16 HA VAL 16 -8.402 -3.787 0.297 105 HB VAL 16 HB VAL 16 -7.734 -2.408 2.901 106 HG11 VAL 16 1HG1 VAL 16 -6.600 -0.836 1.089 107 HG12 VAL 16 2HG1 VAL 16 -5.740 -2.193 1.820 108 HG13 VAL 16 3HG1 VAL 16 -6.462 -2.364 0.219 109 HG21 VAL 16 1HG2 VAL 16 -9.024 -1.234 0.449 110 HG22 VAL 16 2HG2 VAL 16 -9.951 -1.891 1.798 111 HG23 VAL 16 3HG2 VAL 16 -8.877 -0.515 2.053 112 H SER 17 H SER 17 -6.528 -4.687 -0.322 113 HA SER 17 HA SER 17 -4.664 -5.739 1.641 114 HB2 SER 17 1HB SER 17 -6.305 -7.581 1.248 115 HB3 SER 17 2HB SER 17 -5.862 -7.562 -0.459 116 HG SER 17 HG SER 17 -4.541 -9.062 0.359 117 H ALA 18 H ALA 18 -2.652 -5.361 0.991 118 HA ALA 18 HA ALA 18 -2.140 -4.251 -1.596 119 HB1 ALA 18 1HB ALA 18 0.089 -5.105 0.177 120 HB2 ALA 18 2HB ALA 18 -0.099 -3.633 -0.778 121 HB3 ALA 18 3HB ALA 18 -0.984 -3.820 0.735 122 H GLY 19 H GLY 19 -1.374 -7.313 0.015 123 HA2 GLY 19 1HA GLY 19 -1.569 -9.080 -1.959 124 HA3 GLY 19 2HA GLY 19 -0.049 -8.307 -2.385 125 H ASP 20 H ASP 20 1.653 -8.307 -0.699 126 HA ASP 20 HA ASP 20 1.537 -10.003 1.547 127 HB2 ASP 20 1HB ASP 20 1.414 -11.665 -0.407 128 HB3 ASP 20 2HB ASP 20 3.097 -11.241 -0.713 129 H ASN 21 H ASN 21 3.913 -10.649 2.205 130 HA ASN 21 HA ASN 21 5.364 -8.212 2.379 131 HB2 ASN 21 1HB ASN 21 6.755 -9.312 3.883 132 HB3 ASN 21 2HB ASN 21 5.259 -10.228 4.037 133 HD21 ASN 21 1HD2 ASN 21 5.119 -12.088 2.399 134 HD22 ASN 21 2HD2 ASN 21 6.537 -13.066 2.264 135 H LEU 22 H LEU 22 6.973 -7.439 1.163 136 HA LEU 22 HA LEU 22 8.072 -9.191 -0.934 137 HB2 LEU 22 1HB LEU 22 7.997 -6.187 -0.997 138 HB3 LEU 22 2HB LEU 22 8.341 -7.290 -2.327 139 HG LEU 22 HG LEU 22 6.202 -6.552 -2.808 140 HD11 LEU 22 1HD1 LEU 22 6.452 -9.083 -2.592 141 HD12 LEU 22 2HD1 LEU 22 4.816 -8.429 -2.654 142 HD13 LEU 22 3HD1 LEU 22 5.509 -8.927 -1.110 143 HD21 LEU 22 1HD2 LEU 22 5.861 -5.333 -0.702 144 HD22 LEU 22 2HD2 LEU 22 5.477 -6.854 0.106 145 HD23 LEU 22 3HD2 LEU 22 4.429 -6.248 -1.178 146 H ILE 23 H ILE 23 10.254 -9.335 -1.209 147 HA ILE 23 HA ILE 23 11.945 -7.765 0.621 148 HB ILE 23 HB ILE 23 12.333 -10.676 -0.084 149 HG12 ILE 23 1HG1 ILE 23 11.711 -9.511 2.628 150 HG13 ILE 23 2HG1 ILE 23 10.452 -10.077 1.536 151 HG21 ILE 23 1HG2 ILE 23 14.449 -9.550 0.192 152 HG22 ILE 23 2HG2 ILE 23 13.906 -8.834 1.708 153 HG23 ILE 23 3HG2 ILE 23 14.145 -10.577 1.592 154 HD11 ILE 23 1HD1 ILE 23 11.675 -12.294 1.513 155 HD12 ILE 23 2HD1 ILE 23 12.608 -11.670 2.874 156 HD13 ILE 23 3HD1 ILE 23 10.859 -11.848 3.011 157 H ILE 24 H ILE 24 13.397 -6.590 -0.425 158 HA ILE 24 HA ILE 24 14.238 -7.454 -3.112 159 HB ILE 24 HB ILE 24 14.992 -4.914 -3.160 160 HG12 ILE 24 1HG1 ILE 24 12.654 -4.920 -1.239 161 HG13 ILE 24 2HG1 ILE 24 14.305 -4.452 -0.848 162 HG21 ILE 24 1HG2 ILE 24 12.131 -5.780 -3.554 163 HG22 ILE 24 2HG2 ILE 24 12.909 -4.381 -4.292 164 HG23 ILE 24 3HG2 ILE 24 13.441 -6.009 -4.712 165 HD11 ILE 24 1HD1 ILE 24 12.495 -3.056 -2.804 166 HD12 ILE 24 2HD1 ILE 24 12.888 -2.510 -1.173 167 HD13 ILE 24 3HD1 ILE 24 14.147 -2.586 -2.405 168 H THR 25 H THR 25 16.451 -6.897 -3.742 169 HA THR 25 HA THR 25 18.307 -6.779 -1.460 170 HB THR 25 HB THR 25 18.690 -8.526 -3.898 171 HG1 THR 25 1HG THR 25 17.811 -10.100 -2.768 172 HG21 THR 25 1HG2 THR 25 20.748 -7.613 -2.778 173 HG22 THR 25 2HG2 THR 25 20.631 -9.373 -2.791 174 HG23 THR 25 3HG2 THR 25 20.256 -8.475 -1.321 175 H LEU 26 H LEU 26 19.767 -5.211 -1.628 176 HA LEU 26 HA LEU 26 19.844 -3.312 -3.611 177 HB2 LEU 26 1HB LEU 26 21.873 -4.214 -1.607 178 HB3 LEU 26 2HB LEU 26 22.273 -2.955 -2.773 179 HG LEU 26 HG LEU 26 20.049 -2.828 -0.737 180 HD11 LEU 26 1HD1 LEU 26 22.606 -1.245 -0.826 181 HD12 LEU 26 2HD1 LEU 26 22.396 -2.701 0.146 182 HD13 LEU 26 3HD1 LEU 26 21.396 -1.282 0.456 183 HD21 LEU 26 1HD2 LEU 26 19.938 -0.448 -1.441 184 HD22 LEU 26 2HD2 LEU 26 19.439 -1.583 -2.695 185 HD23 LEU 26 3HD2 LEU 26 21.033 -0.832 -2.770 186 HA PRO 27 HA PRO 27 21.673 -1.892 -4.337 187 HB2 PRO 27 1HB PRO 27 21.622 -0.893 -6.861 188 HB3 PRO 27 2HB PRO 27 23.119 -1.346 -6.038 189 HG2 PRO 27 1HG PRO 27 21.529 -2.880 -8.058 190 HG3 PRO 27 2HG PRO 27 23.286 -2.671 -7.941 191 HD2 PRO 27 1HD PRO 27 22.025 -4.910 -7.087 192 HD3 PRO 27 2HD PRO 27 23.497 -4.288 -6.313 193 H ASP 28 H ASP 28 19.656 -3.836 -6.379 194 HA ASP 28 HA ASP 28 17.621 -2.125 -7.094 195 HB2 ASP 28 1HB ASP 28 17.545 -5.027 -6.274 196 HB3 ASP 28 2HB ASP 28 16.120 -4.177 -6.865 197 H ASN 29 H ASN 29 16.974 -0.586 -5.673 198 HA ASN 29 HA ASN 29 15.849 -1.517 -3.113 199 HB2 ASN 29 1HB ASN 29 16.233 0.848 -2.329 200 HB3 ASN 29 2HB ASN 29 17.700 -0.070 -2.653 201 HD21 ASN 29 1HD2 ASN 29 18.919 1.780 -2.959 202 HD22 ASN 29 2HD2 ASN 29 18.763 2.767 -4.369 203 H GLU 30 H GLU 30 14.562 -1.349 -5.778 204 HA GLU 30 HA GLU 30 12.492 0.659 -5.181 205 HB2 GLU 30 1HB GLU 30 12.967 -0.653 -7.854 206 HB3 GLU 30 2HB GLU 30 11.990 0.767 -7.509 207 HG2 GLU 30 1HG GLU 30 14.041 1.986 -6.883 208 HG3 GLU 30 2HG GLU 30 14.988 0.571 -7.339 209 H VAL 31 H VAL 31 10.386 0.054 -5.012 210 HA VAL 31 HA VAL 31 9.633 -2.698 -5.647 211 HB VAL 31 HB VAL 31 10.169 -3.037 -3.390 212 HG11 VAL 31 1HG1 VAL 31 9.184 -1.445 -1.617 213 HG12 VAL 31 2HG1 VAL 31 10.606 -0.923 -2.522 214 HG13 VAL 31 3HG1 VAL 31 9.009 -0.309 -2.954 215 HG21 VAL 31 1HG2 VAL 31 8.044 -3.443 -2.298 216 HG22 VAL 31 2HG2 VAL 31 7.235 -2.333 -3.404 217 HG23 VAL 31 3HG2 VAL 31 7.923 -3.839 -4.012 218 H GLU 32 H GLU 32 7.569 -2.901 -6.344 219 HA GLU 32 HA GLU 32 5.880 -0.489 -6.230 220 HB2 GLU 32 1HB GLU 32 6.524 -0.848 -8.499 221 HB3 GLU 32 2HB GLU 32 6.179 -2.568 -8.393 222 HG2 GLU 32 1HG GLU 32 3.845 -2.193 -8.346 223 HG3 GLU 32 2HG GLU 32 4.060 -0.462 -8.096 224 H LEU 33 H LEU 33 4.218 -0.728 -4.902 225 HA LEU 33 HA LEU 33 3.142 -3.411 -4.417 226 HB2 LEU 33 1HB LEU 33 2.549 -0.872 -2.912 227 HB3 LEU 33 2HB LEU 33 2.158 -2.520 -2.423 228 HG LEU 33 HG LEU 33 5.020 -1.769 -2.800 229 HD11 LEU 33 1HD1 LEU 33 5.107 -1.036 -0.443 230 HD12 LEU 33 2HD1 LEU 33 3.345 -1.054 -0.399 231 HD13 LEU 33 3HD1 LEU 33 4.188 0.062 -1.473 232 HD21 LEU 33 1HD2 LEU 33 3.446 -3.721 -1.156 233 HD22 LEU 33 2HD2 LEU 33 5.118 -3.325 -0.760 234 HD23 LEU 33 3HD2 LEU 33 4.727 -4.034 -2.327 235 H LYS 34 H LYS 34 0.833 -3.725 -4.326 236 HA LYS 34 HA LYS 34 -0.733 -1.764 -5.854 237 HB2 LYS 34 1HB LYS 34 0.143 -3.819 -7.194 238 HB3 LYS 34 2HB LYS 34 -1.099 -4.706 -6.320 239 HG2 LYS 34 1HG LYS 34 -2.738 -2.972 -7.177 240 HG3 LYS 34 2HG LYS 34 -1.448 -2.442 -8.259 241 HD2 LYS 34 1HD LYS 34 -1.305 -4.731 -9.166 242 HD3 LYS 34 2HD LYS 34 -2.643 -5.211 -8.119 243 HE2 LYS 34 1HE LYS 34 -3.723 -4.774 -10.113 244 HE3 LYS 34 2HE LYS 34 -3.896 -3.241 -9.260 245 HZ1 LYS 34 1HZ LYS 34 -3.189 -2.595 -11.340 246 HZ2 LYS 34 2HZ LYS 34 -2.139 -3.908 -11.527 247 HZ3 LYS 34 3HZ LYS 34 -1.729 -2.639 -10.487 248 H ALA 35 H ALA 35 -2.640 -1.307 -4.959 249 HA ALA 35 HA ALA 35 -3.462 -2.775 -2.592 250 HB1 ALA 35 1HB ALA 35 -5.249 -0.645 -3.393 251 HB2 ALA 35 2HB ALA 35 -4.311 -0.834 -1.911 252 HB3 ALA 35 3HB ALA 35 -3.571 -0.105 -3.337 253 H PHE 36 H PHE 36 -5.243 -4.032 -2.404 254 HA PHE 36 HA PHE 36 -7.000 -4.279 -4.752 255 HB2 PHE 36 1HB PHE 36 -5.569 -6.422 -3.226 256 HB3 PHE 36 2HB PHE 36 -7.130 -6.780 -3.958 257 HD1 PHE 36 1HD PHE 36 -7.189 -5.598 -6.488 258 HD2 PHE 36 2HD PHE 36 -3.826 -7.236 -4.458 259 HE1 PHE 36 1HE PHE 36 -6.084 -5.999 -8.650 260 HE2 PHE 36 2HE PHE 36 -2.715 -7.638 -6.616 261 HZ PHE 36 HZ PHE 36 -3.844 -7.019 -8.716 262 H VAL 37 H VAL 37 -8.988 -3.706 -4.203 263 HA VAL 37 HA VAL 37 -9.978 -4.443 -1.526 264 HB VAL 37 HB VAL 37 -9.674 -2.057 -1.544 265 HG11 VAL 37 1HG1 VAL 37 -11.591 -1.359 -3.605 266 HG12 VAL 37 2HG1 VAL 37 -9.956 -0.755 -3.331 267 HG13 VAL 37 3HG1 VAL 37 -10.206 -2.237 -4.254 268 HG21 VAL 37 1HG2 VAL 37 -12.604 -2.621 -1.972 269 HG22 VAL 37 2HG2 VAL 37 -11.724 -3.008 -0.493 270 HG23 VAL 37 3HG2 VAL 37 -11.896 -1.329 -1.004 271 H ALA 38 H ALA 38 -12.031 -5.261 -1.383 272 HA ALA 38 HA ALA 38 -13.622 -5.440 -3.841 273 HB1 ALA 38 1HB ALA 38 -12.244 -7.627 -2.563 274 HB2 ALA 38 2HB ALA 38 -13.986 -7.905 -2.595 275 HB3 ALA 38 3HB ALA 38 -13.115 -7.588 -4.096 276 HA PRO 39 HA PRO 39 -15.532 -6.474 -4.418 277 HB2 PRO 39 1HB PRO 39 -17.736 -5.050 -5.114 278 HB3 PRO 39 2HB PRO 39 -17.822 -6.605 -4.279 279 HG2 PRO 39 1HG PRO 39 -18.044 -3.839 -3.157 280 HG3 PRO 39 2HG PRO 39 -19.011 -5.277 -2.786 281 HD2 PRO 39 1HD PRO 39 -17.000 -4.422 -1.188 282 HD3 PRO 39 2HD PRO 39 -17.414 -6.139 -1.365 283 H ALA 40 H ALA 40 -15.096 -5.443 -6.399 284 HA ALA 40 HA ALA 40 -13.592 -3.035 -6.199 285 HB1 ALA 40 1HB ALA 40 -14.495 -4.135 -8.824 286 HB2 ALA 40 2HB ALA 40 -12.949 -3.410 -8.380 287 HB3 ALA 40 3HB ALA 40 -13.344 -5.042 -7.841 288 HA PRO 41 HA PRO 41 -16.778 -0.052 -6.825 289 HB2 PRO 41 1HB PRO 41 -15.233 2.013 -7.673 290 HB3 PRO 41 2HB PRO 41 -15.287 1.483 -5.987 291 HG2 PRO 41 1HG PRO 41 -13.261 0.866 -8.102 292 HG3 PRO 41 2HG PRO 41 -13.007 1.290 -6.400 293 HD2 PRO 41 1HD PRO 41 -12.890 -1.261 -7.298 294 HD3 PRO 41 2HD PRO 41 -13.461 -0.848 -5.669 295 HA PRO 42 HA PRO 42 -17.896 -0.042 -11.081 296 HB2 PRO 42 1HB PRO 42 -19.313 2.268 -11.243 297 HB3 PRO 42 2HB PRO 42 -19.920 0.824 -10.423 298 HG2 PRO 42 1HG PRO 42 -18.643 3.268 -9.258 299 HG3 PRO 42 2HG PRO 42 -20.057 2.365 -8.686 300 HD2 PRO 42 1HD PRO 42 -17.601 2.075 -7.584 301 HD3 PRO 42 2HD PRO 42 -18.770 0.742 -7.676 302 H VAL 43 H VAL 43 -18.195 1.884 -12.890 303 HA VAL 43 HA VAL 43 -15.501 2.656 -13.487 304 HB VAL 43 HB VAL 43 -16.946 1.967 -15.298 305 HG11 VAL 43 1HG1 VAL 43 -19.093 2.624 -14.415 306 HG12 VAL 43 2HG1 VAL 43 -18.657 4.330 -14.533 307 HG13 VAL 43 3HG1 VAL 43 -18.862 3.367 -15.997 308 HG21 VAL 43 1HG2 VAL 43 -16.883 4.357 -16.559 309 HG22 VAL 43 2HG2 VAL 43 -15.761 4.662 -15.232 310 HG23 VAL 43 3HG2 VAL 43 -15.473 3.320 -16.339 311 H GLU 44 H GLU 44 -18.475 4.378 -12.621 312 HA GLU 44 HA GLU 44 -17.266 6.968 -12.782 313 HB2 GLU 44 1HB GLU 44 -19.867 5.996 -11.602 314 HB3 GLU 44 2HB GLU 44 -19.379 7.684 -11.582 315 HG2 GLU 44 1HG GLU 44 -19.173 7.515 -14.097 316 HG3 GLU 44 2HG GLU 44 -19.998 5.963 -13.960 317 H THR 45 H THR 45 -18.642 5.245 -9.977 318 HA THR 45 HA THR 45 -17.190 6.867 -8.119 319 HB THR 45 HB THR 45 -18.600 4.264 -7.523 320 HG1 THR 45 1HG THR 45 -19.924 5.889 -8.641 321 HG21 THR 45 1HG2 THR 45 -18.953 6.068 -5.442 322 HG22 THR 45 2HG2 THR 45 -17.273 6.293 -5.930 323 HG23 THR 45 3HG2 THR 45 -17.850 4.694 -5.463 324 H THR 46 H THR 46 -15.247 6.532 -7.240 325 HA THR 46 HA THR 46 -14.069 3.857 -7.289 326 HB THR 46 HB THR 46 -11.873 4.892 -8.056 327 HG1 THR 46 1HG THR 46 -13.494 6.871 -9.260 328 HG21 THR 46 1HG2 THR 46 -12.284 4.142 -10.152 329 HG22 THR 46 2HG2 THR 46 -13.718 5.150 -10.344 330 HG23 THR 46 3HG2 THR 46 -13.818 3.637 -9.445 331 H TYR 47 H TYR 47 -12.798 3.420 -5.558 332 HA TYR 47 HA TYR 47 -12.879 5.201 -3.338 333 HB2 TYR 47 1HB TYR 47 -11.162 2.730 -3.596 334 HB3 TYR 47 2HB TYR 47 -11.754 3.478 -2.116 335 HD1 TYR 47 2HD TYR 47 -14.600 3.932 -2.841 336 HD2 TYR 47 1HD TYR 47 -12.072 0.578 -3.520 337 HE1 TYR 47 2HE TYR 47 -16.571 2.462 -2.884 338 HE2 TYR 47 1HE TYR 47 -14.036 -0.901 -3.565 339 HH TYR 47 HH TYR 47 -16.728 -0.422 -2.360 340 H ASN 48 H ASN 48 -10.902 5.794 -2.086 341 HA ASN 48 HA ASN 48 -8.832 6.773 -3.930 342 HB2 ASN 48 1HB ASN 48 -10.318 8.312 -2.378 343 HB3 ASN 48 2HB ASN 48 -9.137 7.848 -1.157 344 HD21 ASN 48 1HD2 ASN 48 -6.806 7.804 -2.419 345 HD22 ASN 48 2HD2 ASN 48 -6.421 9.350 -3.089 346 H TYR 49 H TYR 49 -6.735 6.247 -3.647 347 HA TYR 49 HA TYR 49 -6.124 4.349 -1.495 348 HB2 TYR 49 1HB TYR 49 -4.487 4.927 -3.968 349 HB3 TYR 49 2HB TYR 49 -4.297 3.576 -2.855 350 HD1 TYR 49 1HD TYR 49 -6.189 1.874 -2.713 351 HD2 TYR 49 2HD TYR 49 -5.895 4.751 -5.833 352 HE1 TYR 49 1HE TYR 49 -7.696 0.513 -4.101 353 HE2 TYR 49 2HE TYR 49 -7.403 3.399 -7.230 354 HH TYR 49 HH TYR 49 -8.359 0.186 -6.323 355 H GLU 50 H GLU 50 -5.199 5.200 0.241 356 HA GLU 50 HA GLU 50 -3.234 7.365 -0.137 357 HB2 GLU 50 1HB GLU 50 -5.107 8.320 0.978 358 HB3 GLU 50 2HB GLU 50 -5.248 6.947 2.066 359 HG2 GLU 50 1HG GLU 50 -3.061 7.571 3.053 360 HG3 GLU 50 2HG GLU 50 -3.063 9.013 2.039 361 H TRP 51 H TRP 51 -1.305 6.391 0.008 362 HA TRP 51 HA TRP 51 -0.877 4.258 1.943 363 HB2 TRP 51 1HB TRP 51 0.896 5.433 -0.205 364 HB3 TRP 51 2HB TRP 51 1.398 4.142 0.882 365 HD1 TRP 51 HD TRP 51 -0.931 4.824 -2.082 366 HE1 TRP 51 1HE TRP 51 -1.633 2.571 -3.109 367 HE3 TRP 51 3HE TRP 51 1.068 1.679 1.418 368 HZ2 TRP 51 2HZ TRP 51 -1.374 -0.176 -2.514 369 HZ3 TRP 51 3HZ TRP 51 0.796 -0.748 1.115 370 HH2 TRP 51 HH TRP 51 -0.400 -1.654 -0.811 371 H ASN 52 H ASN 52 0.971 4.303 3.398 372 HA ASN 52 HA ASN 52 2.339 6.725 3.985 373 HB2 ASN 52 1HB ASN 52 -0.107 6.032 5.569 374 HB3 ASN 52 2HB ASN 52 1.257 6.794 6.381 375 HD21 ASN 52 1HD2 ASN 52 -1.508 7.284 4.548 376 HD22 ASN 52 2HD2 ASN 52 -1.280 8.957 4.183 377 H LEU 53 H LEU 53 3.871 6.490 5.698 378 HA LEU 53 HA LEU 53 4.490 3.679 6.255 379 HB2 LEU 53 1HB LEU 53 6.155 5.201 5.123 380 HB3 LEU 53 2HB LEU 53 6.280 6.066 6.653 381 HG LEU 53 HG LEU 53 7.018 3.893 7.694 382 HD11 LEU 53 1HD1 LEU 53 7.566 2.048 6.420 383 HD12 LEU 53 2HD1 LEU 53 7.643 2.973 4.921 384 HD13 LEU 53 3HD1 LEU 53 6.080 2.600 5.648 385 HD21 LEU 53 1HD2 LEU 53 8.789 5.303 7.436 386 HD22 LEU 53 2HD2 LEU 53 8.542 5.480 5.699 387 HD23 LEU 53 3HD2 LEU 53 9.288 4.015 6.339 388 H ILE 54 H ILE 54 3.706 2.982 8.133 389 HA ILE 54 HA ILE 54 3.574 4.820 10.411 390 HB ILE 54 HB ILE 54 2.175 3.091 11.483 391 HG12 ILE 54 1HG1 ILE 54 3.297 1.240 10.033 392 HG13 ILE 54 2HG1 ILE 54 1.599 1.075 10.468 393 HG21 ILE 54 1HG2 ILE 54 1.491 4.433 8.949 394 HG22 ILE 54 2HG2 ILE 54 0.372 3.183 9.490 395 HG23 ILE 54 3HG2 ILE 54 0.737 4.553 10.538 396 HD11 ILE 54 1HD1 ILE 54 1.001 1.024 8.340 397 HD12 ILE 54 2HD1 ILE 54 1.879 2.515 7.997 398 HD13 ILE 54 3HD1 ILE 54 2.713 0.964 7.924 399 H SER 55 H SER 55 5.154 1.929 9.285 400 HA SER 55 HA SER 55 6.705 1.857 11.789 401 HB2 SER 55 1HB SER 55 5.378 -0.345 10.295 402 HB3 SER 55 2HB SER 55 6.971 -0.686 10.970 403 HG SER 55 HG SER 55 6.041 0.216 12.987 404 H HIS 56 H HIS 56 8.803 2.202 11.519 405 HA HIS 56 HA HIS 56 10.283 1.132 9.321 406 HB2 HIS 56 1HB HIS 56 10.980 3.203 8.286 407 HB3 HIS 56 2HB HIS 56 9.221 3.119 8.256 408 HD1 HIS 56 1HD HIS 56 12.031 4.850 10.093 409 HD2 HIS 56 2HD HIS 56 7.933 5.198 9.500 410 HE1 HIS 56 1HE HIS 56 11.391 7.063 11.103 411 HE2 HIS 56 2HE HIS 56 8.894 7.212 10.808 412 HA PRO 57 HA PRO 57 13.525 1.453 12.263 413 HB2 PRO 57 1HB PRO 57 15.692 1.509 10.628 414 HB3 PRO 57 2HB PRO 57 14.730 0.051 10.899 415 HG2 PRO 57 1HG PRO 57 14.640 1.982 8.614 416 HG3 PRO 57 2HG PRO 57 14.582 0.209 8.584 417 HD2 PRO 57 1HD PRO 57 12.364 1.744 8.343 418 HD3 PRO 57 2HD PRO 57 12.341 0.148 9.122 419 H THR 58 H THR 58 15.376 2.795 12.932 420 HA THR 58 HA THR 58 14.768 5.565 12.714 421 HB THR 58 HB THR 58 15.886 4.306 14.685 422 HG1 THR 58 1HG THR 58 16.954 6.298 15.261 423 HG21 THR 58 1HG2 THR 58 17.761 3.383 13.404 424 HG22 THR 58 2HG2 THR 58 18.330 4.428 14.706 425 HG23 THR 58 3HG2 THR 58 18.320 5.016 13.044 426 H ASP 59 H ASP 59 17.039 3.436 11.136 427 HA ASP 59 HA ASP 59 18.815 5.351 10.106 428 HB2 ASP 59 1HB ASP 59 18.075 2.551 9.402 429 HB3 ASP 59 2HB ASP 59 18.975 3.486 8.211 430 H TYR 60 H TYR 60 15.596 4.481 9.200 431 HA TYR 60 HA TYR 60 15.822 6.031 6.713 432 HB2 TYR 60 1HB TYR 60 14.869 3.628 6.770 433 HB3 TYR 60 2HB TYR 60 13.440 4.365 7.486 434 HD1 TYR 60 1HD TYR 60 15.560 4.258 4.464 435 HD2 TYR 60 2HD TYR 60 11.895 5.599 6.158 436 HE1 TYR 60 1HE TYR 60 14.736 4.824 2.217 437 HE2 TYR 60 2HE TYR 60 11.060 6.168 3.916 438 HH TYR 60 HH TYR 60 13.023 6.410 1.231 439 H GLN 61 H GLN 61 14.900 7.971 6.554 440 HA GLN 61 HA GLN 61 13.660 9.172 8.824 441 HB2 GLN 61 1HB GLN 61 14.004 10.149 5.986 442 HB3 GLN 61 2HB GLN 61 13.364 11.131 7.297 443 HG2 GLN 61 1HG GLN 61 15.456 10.962 8.493 444 HG3 GLN 61 2HG GLN 61 16.103 9.884 7.258 445 HE21 GLN 61 1HE2 GLN 61 17.822 11.310 6.889 446 HE22 GLN 61 2HE2 GLN 61 17.608 12.775 5.998 447 H GLY 62 H GLY 62 12.468 8.437 5.541 448 HA2 GLY 62 1HA GLY 62 10.292 7.291 5.395 449 HA3 GLY 62 2HA GLY 62 9.746 8.348 6.688 450 H GLU 63 H GLU 63 10.555 8.142 3.291 451 HA GLU 63 HA GLU 63 9.052 10.635 2.859 452 HB2 GLU 63 1HB GLU 63 11.502 9.775 1.310 453 HB3 GLU 63 2HB GLU 63 10.560 11.234 1.039 454 HG2 GLU 63 1HG GLU 63 11.227 12.132 3.157 455 HG3 GLU 63 2HG GLU 63 12.031 10.624 3.590 456 H ILE 64 H ILE 64 7.188 9.939 2.014 457 HA ILE 64 HA ILE 64 7.304 8.372 -0.450 458 HB ILE 64 HB ILE 64 5.426 7.660 1.804 459 HG12 ILE 64 1HG1 ILE 64 7.774 6.077 0.745 460 HG13 ILE 64 2HG1 ILE 64 7.820 7.039 2.218 461 HG21 ILE 64 1HG2 ILE 64 5.263 5.582 0.172 462 HG22 ILE 64 2HG2 ILE 64 4.256 7.014 -0.041 463 HG23 ILE 64 3HG2 ILE 64 5.705 6.802 -1.023 464 HD11 ILE 64 1HD1 ILE 64 7.459 4.811 2.882 465 HD12 ILE 64 2HD1 ILE 64 5.903 5.626 3.046 466 HD13 ILE 64 3HD1 ILE 64 6.206 4.571 1.665 467 H LYS 65 H LYS 65 5.594 8.729 -1.867 468 HA LYS 65 HA LYS 65 4.178 11.220 -1.438 469 HB2 LYS 65 1HB LYS 65 4.201 9.358 -3.821 470 HB3 LYS 65 2HB LYS 65 3.467 10.955 -3.782 471 HG2 LYS 65 1HG LYS 65 6.388 10.509 -3.249 472 HG3 LYS 65 2HG LYS 65 5.741 10.776 -4.869 473 HD2 LYS 65 1HD LYS 65 5.034 12.683 -2.686 474 HD3 LYS 65 2HD LYS 65 6.629 12.785 -3.434 475 HE2 LYS 65 1HE LYS 65 5.633 13.077 -5.613 476 HE3 LYS 65 2HE LYS 65 4.020 12.832 -4.945 477 HZ1 LYS 65 1HZ LYS 65 5.848 15.086 -4.318 478 HZ2 LYS 65 2HZ LYS 65 4.331 14.842 -3.612 479 HZ3 LYS 65 3HZ LYS 65 4.451 15.169 -5.267 480 H GLN 66 H GLN 66 3.480 8.752 0.085 481 HA GLN 66 HA GLN 66 1.658 7.509 0.698 482 HB2 GLN 66 1HB GLN 66 0.344 10.128 -0.043 483 HB3 GLN 66 2HB GLN 66 -0.427 8.854 0.893 484 HG2 GLN 66 1HG GLN 66 0.793 9.290 2.762 485 HG3 GLN 66 2HG GLN 66 2.180 9.887 1.852 486 HE21 GLN 66 1HE2 GLN 66 0.864 11.074 4.139 487 HE22 GLN 66 2HE2 GLN 66 0.319 12.634 3.637 488 H GLY 67 H GLY 67 2.422 7.433 -2.190 489 HA2 GLY 67 1HA GLY 67 1.496 6.872 -4.258 490 HA3 GLY 67 2HA GLY 67 0.817 5.600 -3.254 491 H HIS 68 H HIS 68 0.216 8.808 -4.589 492 HA HIS 68 HA HIS 68 -2.431 9.118 -3.745 493 HB2 HIS 68 1HB HIS 68 -1.188 10.118 -6.316 494 HB3 HIS 68 2HB HIS 68 -2.648 10.746 -5.557 495 HD1 HIS 68 1HD HIS 68 -1.777 11.123 -2.695 496 HD2 HIS 68 2HD HIS 68 0.643 12.072 -5.936 497 HE1 HIS 68 1HE HIS 68 -0.129 12.814 -1.830 498 HE2 HIS 68 2HE HIS 68 1.271 13.437 -3.830 499 H LYS 69 H LYS 69 -1.129 6.844 -5.848 500 HA LYS 69 HA LYS 69 -3.737 6.385 -7.137 501 HB2 LYS 69 1HB LYS 69 -0.996 5.447 -8.006 502 HB3 LYS 69 2HB LYS 69 -2.504 5.123 -8.851 503 HG2 LYS 69 1HG LYS 69 -1.421 7.886 -8.356 504 HG3 LYS 69 2HG LYS 69 -1.130 6.957 -9.828 505 HD2 LYS 69 1HD LYS 69 -3.408 6.994 -10.426 506 HD3 LYS 69 2HD LYS 69 -3.905 7.510 -8.813 507 HE2 LYS 69 1HE LYS 69 -2.504 9.615 -9.288 508 HE3 LYS 69 2HE LYS 69 -2.566 9.103 -10.974 509 HZ1 LYS 69 1HZ LYS 69 -4.340 10.703 -10.218 510 HZ2 LYS 69 2HZ LYS 69 -5.006 9.428 -9.329 511 HZ3 LYS 69 3HZ LYS 69 -4.889 9.314 -11.013 512 H GLN 70 H GLN 70 -3.670 3.843 -7.868 513 HA GLN 70 HA GLN 70 -4.076 2.433 -5.431 514 HB2 GLN 70 1HB GLN 70 -5.366 2.052 -7.542 515 HB3 GLN 70 2HB GLN 70 -3.933 1.296 -8.227 516 HG2 GLN 70 1HG GLN 70 -3.998 -0.407 -6.472 517 HG3 GLN 70 2HG GLN 70 -5.446 0.346 -5.805 518 HE21 GLN 70 1HE2 GLN 70 -4.124 -1.509 -8.431 519 HE22 GLN 70 2HE2 GLN 70 -5.633 -2.027 -9.093 520 H THR 71 H THR 71 -1.405 2.785 -7.589 521 HA THR 71 HA THR 71 0.033 0.619 -6.204 522 HB THR 71 HB THR 71 1.687 1.057 -8.218 523 HG1 THR 71 1HG THR 71 0.593 1.735 -10.067 524 HG21 THR 71 1HG2 THR 71 -0.490 -0.399 -9.384 525 HG22 THR 71 2HG2 THR 71 -0.366 -0.796 -7.670 526 HG23 THR 71 3HG2 THR 71 1.029 -1.009 -8.729 527 H LEU 72 H LEU 72 2.069 0.999 -5.342 528 HA LEU 72 HA LEU 72 2.924 3.815 -5.238 529 HB2 LEU 72 1HB LEU 72 1.905 3.276 -3.131 530 HB3 LEU 72 2HB LEU 72 2.853 1.796 -3.003 531 HG LEU 72 HG LEU 72 4.903 3.232 -2.842 532 HD11 LEU 72 1HD1 LEU 72 4.839 5.468 -2.924 533 HD12 LEU 72 2HD1 LEU 72 3.346 5.559 -1.990 534 HD13 LEU 72 3HD1 LEU 72 3.284 5.236 -3.723 535 HD21 LEU 72 1HD2 LEU 72 3.324 4.154 -0.569 536 HD22 LEU 72 2HD2 LEU 72 4.734 3.096 -0.618 537 HD23 LEU 72 3HD2 LEU 72 3.125 2.436 -0.913 538 H ASN 73 H ASN 73 4.911 4.114 -5.980 539 HA ASN 73 HA ASN 73 6.754 1.818 -6.022 540 HB2 ASN 73 1HB ASN 73 6.205 4.015 -7.944 541 HB3 ASN 73 2HB ASN 73 7.881 3.497 -7.792 542 HD21 ASN 73 1HD2 ASN 73 4.649 2.046 -8.029 543 HD22 ASN 73 2HD2 ASN 73 5.099 0.819 -9.159 544 H LEU 74 H LEU 74 8.651 1.951 -4.983 545 HA LEU 74 HA LEU 74 9.416 4.566 -3.859 546 HB2 LEU 74 1HB LEU 74 9.342 1.840 -2.676 547 HB3 LEU 74 2HB LEU 74 10.628 2.931 -2.163 548 HG LEU 74 HG LEU 74 8.717 4.585 -1.644 549 HD11 LEU 74 1HD1 LEU 74 6.571 3.673 -1.212 550 HD12 LEU 74 2HD1 LEU 74 7.133 2.030 -1.515 551 HD13 LEU 74 3HD1 LEU 74 7.015 3.180 -2.847 552 HD21 LEU 74 1HD2 LEU 74 9.038 2.083 0.012 553 HD22 LEU 74 2HD2 LEU 74 8.453 3.647 0.581 554 HD23 LEU 74 3HD2 LEU 74 10.122 3.474 0.036 555 H SER 75 H SER 75 11.749 4.807 -3.414 556 HA SER 75 HA SER 75 13.521 3.109 -4.981 557 HB2 SER 75 1HB SER 75 14.519 5.105 -6.125 558 HB3 SER 75 2HB SER 75 12.871 4.742 -6.638 559 HG SER 75 HG SER 75 13.351 7.007 -6.143 560 H GLN 76 H GLN 76 15.857 4.158 -4.814 561 HA GLN 76 HA GLN 76 17.587 4.232 -3.294 562 HB2 GLN 76 1HB GLN 76 16.012 6.709 -2.569 563 HB3 GLN 76 2HB GLN 76 17.700 6.426 -2.163 564 HG2 GLN 76 1HG GLN 76 17.949 6.111 -4.749 565 HG3 GLN 76 2HG GLN 76 16.458 7.050 -4.793 566 HE21 GLN 76 1HE2 GLN 76 19.652 7.324 -5.087 567 HE22 GLN 76 2HE2 GLN 76 19.891 8.937 -4.515 568 H LEU 77 H LEU 77 15.457 2.582 -2.355 569 HA LEU 77 HA LEU 77 14.927 3.196 0.395 570 HB2 LEU 77 1HB LEU 77 14.463 0.805 -1.352 571 HB3 LEU 77 2HB LEU 77 14.173 0.733 0.385 572 HG LEU 77 HG LEU 77 12.836 2.748 -1.408 573 HD11 LEU 77 1HD1 LEU 77 12.121 0.688 -2.292 574 HD12 LEU 77 2HD1 LEU 77 10.848 1.194 -1.181 575 HD13 LEU 77 3HD1 LEU 77 12.001 -0.048 -0.693 576 HD21 LEU 77 1HD2 LEU 77 12.941 2.315 1.408 577 HD22 LEU 77 2HD2 LEU 77 11.301 1.995 0.841 578 HD23 LEU 77 3HD2 LEU 77 12.062 3.552 0.508 579 H SER 78 H SER 78 16.122 2.733 2.125 580 HA SER 78 HA SER 78 18.667 1.403 1.765 581 HB2 SER 78 1HB SER 78 18.330 3.495 3.163 582 HB3 SER 78 2HB SER 78 17.515 2.473 4.346 583 HG SER 78 HG SER 78 20.134 2.848 3.994 584 H VAL 79 H VAL 79 19.236 0.069 3.964 585 HA VAL 79 HA VAL 79 17.627 -2.313 3.734 586 HB VAL 79 HB VAL 79 20.062 -1.712 5.417 587 HG11 VAL 79 1HG1 VAL 79 18.761 -4.389 4.939 588 HG12 VAL 79 2HG1 VAL 79 20.164 -4.047 5.954 589 HG13 VAL 79 3HG1 VAL 79 18.573 -3.441 6.414 590 HG21 VAL 79 1HG2 VAL 79 19.670 -3.215 2.835 591 HG22 VAL 79 2HG2 VAL 79 20.611 -1.745 3.091 592 HG23 VAL 79 3HG2 VAL 79 21.151 -3.271 3.791 593 H GLY 80 H GLY 80 15.974 -2.852 4.995 594 HA2 GLY 80 1HA GLY 80 15.709 -2.878 7.668 595 HA3 GLY 80 2HA GLY 80 15.329 -1.203 7.293 596 H LEU 81 H LEU 81 13.440 -2.701 8.520 597 HA LEU 81 HA LEU 81 11.631 -3.763 6.507 598 HB2 LEU 81 1HB LEU 81 11.921 -4.910 8.667 599 HB3 LEU 81 2HB LEU 81 11.281 -3.489 9.489 600 HG LEU 81 HG LEU 81 9.109 -3.840 8.484 601 HD11 LEU 81 1HD1 LEU 81 9.046 -6.281 7.322 602 HD12 LEU 81 2HD1 LEU 81 10.624 -5.702 6.789 603 HD13 LEU 81 3HD1 LEU 81 9.175 -4.761 6.436 604 HD21 LEU 81 1HD2 LEU 81 10.424 -6.062 9.965 605 HD22 LEU 81 2HD2 LEU 81 8.785 -6.302 9.358 606 HD23 LEU 81 3HD2 LEU 81 9.129 -4.977 10.470 607 H TYR 82 H TYR 82 10.127 -2.585 5.538 608 HA TYR 82 HA TYR 82 9.189 -0.129 6.869 609 HB2 TYR 82 1HB TYR 82 9.421 -0.479 3.880 610 HB3 TYR 82 2HB TYR 82 9.104 1.006 4.769 611 HD1 TYR 82 2HD TYR 82 10.970 1.867 6.318 612 HD2 TYR 82 1HD TYR 82 11.606 -1.055 3.292 613 HE1 TYR 82 2HE TYR 82 13.378 2.368 6.348 614 HE2 TYR 82 1HE TYR 82 14.015 -0.564 3.314 615 HH TYR 82 HH TYR 82 15.379 1.913 4.224 616 H VAL 83 H VAL 83 7.081 -0.073 7.251 617 HA VAL 83 HA VAL 83 5.340 -1.949 5.797 618 HB VAL 83 HB VAL 83 4.736 -0.600 8.427 619 HG11 VAL 83 1HG1 VAL 83 2.775 -1.686 8.414 620 HG12 VAL 83 2HG1 VAL 83 3.048 -1.840 6.678 621 HG13 VAL 83 3HG1 VAL 83 3.487 -3.161 7.761 622 HG21 VAL 83 1HG2 VAL 83 6.024 -2.058 9.498 623 HG22 VAL 83 2HG2 VAL 83 5.238 -3.408 8.678 624 HG23 VAL 83 3HG2 VAL 83 6.634 -2.621 7.941 625 H PHE 84 H PHE 84 3.898 -1.154 4.423 626 HA PHE 84 HA PHE 84 3.246 1.712 4.583 627 HB2 PHE 84 1HB PHE 84 2.920 -0.033 2.145 628 HB3 PHE 84 2HB PHE 84 2.934 1.726 2.227 629 HD1 PHE 84 2HD PHE 84 5.119 2.848 2.953 630 HD2 PHE 84 1HD PHE 84 4.865 -1.205 1.677 631 HE1 PHE 84 2HE PHE 84 7.532 2.851 2.474 632 HE2 PHE 84 1HE PHE 84 7.278 -1.208 1.198 633 HZ PHE 84 HZ PHE 84 8.615 0.822 1.595 634 H LYS 85 H LYS 85 1.259 2.221 5.193 635 HA LYS 85 HA LYS 85 -0.828 0.162 5.086 636 HB2 LYS 85 1HB LYS 85 -0.693 0.932 7.281 637 HB3 LYS 85 2HB LYS 85 -0.393 2.592 6.786 638 HG2 LYS 85 1HG LYS 85 -2.810 2.462 5.835 639 HG3 LYS 85 2HG LYS 85 -2.971 1.102 6.949 640 HD2 LYS 85 1HD LYS 85 -1.767 3.573 8.042 641 HD3 LYS 85 2HD LYS 85 -3.485 3.644 7.642 642 HE2 LYS 85 1HE LYS 85 -2.518 1.287 9.165 643 HE3 LYS 85 2HE LYS 85 -2.606 2.828 10.016 644 HZ1 LYS 85 1HZ LYS 85 -4.699 1.063 9.345 645 HZ2 LYS 85 2HZ LYS 85 -4.973 2.554 8.595 646 HZ3 LYS 85 3HZ LYS 85 -4.762 2.477 10.272 647 H VAL 86 H VAL 86 -2.243 0.263 3.483 648 HA VAL 86 HA VAL 86 -2.643 2.797 2.074 649 HB VAL 86 HB VAL 86 -2.171 1.094 0.533 650 HG11 VAL 86 1HG1 VAL 86 -3.503 -1.064 0.530 651 HG12 VAL 86 2HG1 VAL 86 -2.332 -0.867 1.836 652 HG13 VAL 86 3HG1 VAL 86 -4.050 -0.613 2.144 653 HG21 VAL 86 1HG2 VAL 86 -4.385 2.485 0.258 654 HG22 VAL 86 2HG2 VAL 86 -3.971 1.206 -0.884 655 HG23 VAL 86 3HG2 VAL 86 -5.140 0.897 0.400 656 H THR 87 H THR 87 -4.049 3.909 3.400 657 HA THR 87 HA THR 87 -6.462 2.683 4.391 658 HB THR 87 HB THR 87 -6.216 5.641 4.381 659 HG1 THR 87 1HG THR 87 -4.122 5.272 4.902 660 HG21 THR 87 1HG2 THR 87 -7.374 5.501 6.352 661 HG22 THR 87 2HG2 THR 87 -6.625 3.972 6.811 662 HG23 THR 87 3HG2 THR 87 -7.905 3.999 5.597 663 H VAL 88 H VAL 88 -8.077 2.252 3.037 664 HA VAL 88 HA VAL 88 -8.776 4.277 1.010 665 HB VAL 88 HB VAL 88 -8.983 1.272 0.828 666 HG11 VAL 88 1HG1 VAL 88 -10.029 3.321 -1.124 667 HG12 VAL 88 2HG1 VAL 88 -10.079 1.567 -1.312 668 HG13 VAL 88 3HG1 VAL 88 -11.024 2.347 -0.042 669 HG21 VAL 88 1HG2 VAL 88 -6.809 2.545 0.310 670 HG22 VAL 88 2HG2 VAL 88 -7.405 1.394 -0.886 671 HG23 VAL 88 3HG2 VAL 88 -7.658 3.123 -1.123 672 H SER 89 H SER 89 -10.525 5.323 1.698 673 HA SER 89 HA SER 89 -12.797 3.733 2.676 674 HB2 SER 89 1HB SER 89 -12.248 4.648 4.706 675 HB3 SER 89 2HB SER 89 -11.454 6.045 3.982 676 HG SER 89 HG SER 89 -13.369 7.041 3.756 677 H SER 90 H SER 90 -14.882 4.894 2.501 678 HA SER 90 HA SER 90 -14.891 6.907 0.357 679 HB2 SER 90 1HB SER 90 -16.476 5.770 -0.919 680 HB3 SER 90 2HB SER 90 -15.450 4.454 -0.348 681 HG SER 90 HG SER 90 -18.024 4.658 -0.042 682 H GLU 91 H GLU 91 -17.297 7.721 0.106 683 HA GLU 91 HA GLU 91 -17.935 9.147 2.408 684 HB2 GLU 91 1HB GLU 91 -20.140 9.579 1.250 685 HB3 GLU 91 2HB GLU 91 -18.702 9.982 0.323 686 HG2 GLU 91 1HG GLU 91 -19.946 7.298 -0.017 687 HG3 GLU 91 2HG GLU 91 -20.688 8.703 -0.781 688 H ASN 92 H ASN 92 -18.945 5.983 1.359 689 HA ASN 92 HA ASN 92 -20.407 5.666 3.886 690 HB2 ASN 92 1HB ASN 92 -21.988 4.132 2.532 691 HB3 ASN 92 2HB ASN 92 -22.208 5.874 2.402 692 HD21 ASN 92 1HD2 ASN 92 -20.314 3.292 0.870 693 HD22 ASN 92 2HD2 ASN 92 -20.559 3.843 -0.749 694 H ALA 93 H ALA 93 -17.720 4.913 3.165 695 HA ALA 93 HA ALA 93 -17.884 2.102 3.852 696 HB1 ALA 93 1HB ALA 93 -16.856 1.191 2.018 697 HB2 ALA 93 2HB ALA 93 -17.809 2.464 1.253 698 HB3 ALA 93 3HB ALA 93 -16.089 2.711 1.555 699 H PHE 94 H PHE 94 -15.560 1.208 4.114 700 HA PHE 94 HA PHE 94 -13.464 3.063 4.638 701 HB2 PHE 94 1HB PHE 94 -14.638 3.673 6.602 702 HB3 PHE 94 2HB PHE 94 -15.072 2.004 6.955 703 HD1 PHE 94 1HD PHE 94 -11.718 3.187 5.966 704 HD2 PHE 94 2HD PHE 94 -14.211 1.840 9.143 705 HE1 PHE 94 1HE PHE 94 -9.747 2.988 7.424 706 HE2 PHE 94 2HE PHE 94 -12.243 1.641 10.606 707 HZ PHE 94 HZ PHE 94 -10.008 2.216 9.748 708 H GLY 95 H GLY 95 -11.636 1.990 4.292 709 HA2 GLY 95 1HA GLY 95 -11.290 -0.709 5.310 710 HA3 GLY 95 2HA GLY 95 -11.285 -0.561 3.559 711 H GLU 96 H GLU 96 -9.100 -1.543 4.973 712 HA GLU 96 HA GLU 96 -7.038 0.161 3.992 713 HB2 GLU 96 1HB GLU 96 -5.932 0.266 6.352 714 HB3 GLU 96 2HB GLU 96 -7.138 1.463 5.902 715 HG2 GLU 96 1HG GLU 96 -7.862 0.904 7.988 716 HG3 GLU 96 2HG GLU 96 -8.793 -0.231 7.012 717 H GLY 97 H GLY 97 -4.875 -0.777 4.312 718 HA2 GLY 97 1HA GLY 97 -4.922 -3.611 5.100 719 HA3 GLY 97 2HA GLY 97 -4.339 -3.174 3.500 720 H PHE 98 H PHE 98 -2.595 -4.531 4.900 721 HA PHE 98 HA PHE 98 -0.597 -2.524 5.641 722 HB2 PHE 98 1HB PHE 98 -1.672 -4.680 7.379 723 HB3 PHE 98 2HB PHE 98 0.067 -4.414 7.427 724 HD1 PHE 98 2HD PHE 98 -3.080 -2.406 7.484 725 HD2 PHE 98 1HD PHE 98 0.854 -2.962 9.012 726 HE1 PHE 98 2HE PHE 98 -3.417 -0.521 9.028 727 HE2 PHE 98 1HE PHE 98 0.523 -1.078 10.559 728 HZ PHE 98 HZ PHE 98 -1.614 0.146 10.568 729 H VAL 99 H VAL 99 1.301 -2.879 4.687 730 HA VAL 99 HA VAL 99 2.055 -5.604 3.928 731 HB VAL 99 HB VAL 99 1.058 -4.836 1.905 732 HG11 VAL 99 1HG1 VAL 99 1.967 -2.702 0.825 733 HG12 VAL 99 2HG1 VAL 99 0.844 -2.519 2.175 734 HG13 VAL 99 3HG1 VAL 99 2.575 -2.300 2.431 735 HG21 VAL 99 1HG2 VAL 99 3.745 -4.164 1.025 736 HG22 VAL 99 2HG2 VAL 99 3.713 -5.572 2.086 737 HG23 VAL 99 3HG2 VAL 99 2.736 -5.552 0.617 738 H ASN 100 H ASN 100 4.110 -6.013 4.416 739 HA ASN 100 HA ASN 100 5.868 -3.741 5.031 740 HB2 ASN 100 1HB ASN 100 7.228 -5.772 6.082 741 HB3 ASN 100 2HB ASN 100 5.907 -4.996 6.952 742 HD21 ASN 100 1HD2 ASN 100 5.522 -6.856 8.154 743 HD22 ASN 100 2HD2 ASN 100 4.749 -8.243 7.473 744 H VAL 101 H VAL 101 8.051 -3.756 4.332 745 HA VAL 101 HA VAL 101 8.724 -5.656 2.203 746 HB VAL 101 HB VAL 101 8.844 -2.652 1.938 747 HG11 VAL 101 1HG1 VAL 101 9.656 -3.512 -0.460 748 HG12 VAL 101 2HG1 VAL 101 10.775 -3.124 0.847 749 HG13 VAL 101 3HG1 VAL 101 10.321 -4.801 0.542 750 HG21 VAL 101 1HG2 VAL 101 6.706 -3.258 1.310 751 HG22 VAL 101 2HG2 VAL 101 7.569 -3.341 -0.226 752 HG23 VAL 101 3HG2 VAL 101 7.222 -4.819 0.671 753 H THR 102 H THR 102 10.687 -6.467 2.499 754 HA THR 102 HA THR 102 12.527 -5.080 4.313 755 HB THR 102 HB THR 102 12.724 -7.920 3.297 756 HG1 THR 102 1HG THR 102 11.916 -7.267 5.911 757 HG21 THR 102 1HG2 THR 102 14.437 -6.222 4.894 758 HG22 THR 102 2HG2 THR 102 14.750 -7.826 4.231 759 HG23 THR 102 3HG2 THR 102 13.945 -7.658 5.790 760 H VAL 103 H VAL 103 14.565 -4.477 3.721 761 HA VAL 103 HA VAL 103 15.265 -4.825 0.878 762 HB VAL 103 HB VAL 103 15.881 -2.487 2.689 763 HG11 VAL 103 1HG1 VAL 103 17.735 -2.391 1.396 764 HG12 VAL 103 2HG1 VAL 103 17.016 -3.353 0.102 765 HG13 VAL 103 3HG1 VAL 103 16.620 -1.641 0.255 766 HG21 VAL 103 1HG2 VAL 103 13.938 -2.952 0.471 767 HG22 VAL 103 2HG2 VAL 103 13.705 -2.133 2.016 768 HG23 VAL 103 3HG2 VAL 103 14.600 -1.336 0.723 769 H LYS 104 H LYS 104 16.555 -6.631 1.131 770 HA LYS 104 HA LYS 104 18.535 -6.913 3.133 771 HB2 LYS 104 1HB LYS 104 18.455 -8.249 0.424 772 HB3 LYS 104 2HB LYS 104 19.321 -8.810 1.848 773 HG2 LYS 104 1HG LYS 104 16.348 -8.471 1.896 774 HG3 LYS 104 2HG LYS 104 17.091 -9.929 1.232 775 HD2 LYS 104 1HD LYS 104 18.362 -10.103 3.422 776 HD3 LYS 104 2HD LYS 104 17.276 -8.856 4.039 777 HE2 LYS 104 1HE LYS 104 16.181 -10.769 4.696 778 HE3 LYS 104 2HE LYS 104 15.411 -10.450 3.143 779 HZ1 LYS 104 1HZ LYS 104 16.852 -12.724 3.948 780 HZ2 LYS 104 2HZ LYS 104 17.669 -12.003 2.654 781 HZ3 LYS 104 3HZ LYS 104 16.046 -12.450 2.485 782 HA PRO 105 HA PRO 105 21.860 -4.474 1.618 783 HB2 PRO 105 1HB PRO 105 23.978 -5.895 2.549 784 HB3 PRO 105 2HB PRO 105 22.928 -4.936 3.600 785 HG2 PRO 105 1HG PRO 105 22.902 -7.884 3.077 786 HG3 PRO 105 2HG PRO 105 22.724 -7.018 4.615 787 HD2 PRO 105 1HD PRO 105 20.609 -8.019 3.253 788 HD3 PRO 105 2HD PRO 105 20.501 -6.543 4.235 789 H ALA 106 H ALA 106 23.505 -4.393 0.047 790 HA ALA 106 HA ALA 106 23.213 -6.268 -2.088 791 HB1 ALA 106 1HB ALA 106 24.176 -3.640 -1.797 792 HB2 ALA 106 2HB ALA 106 25.508 -4.598 -2.445 793 HB3 ALA 106 3HB ALA 106 23.959 -4.558 -3.288 794 H ARG 107 H ARG 107 24.143 -8.200 -2.129 795 HA ARG 107 HA ARG 107 26.794 -8.515 -0.883 796 HB2 ARG 107 1HB ARG 107 26.220 -10.911 -0.639 797 HB3 ARG 107 2HB ARG 107 25.125 -9.856 0.245 798 HG2 ARG 107 1HG ARG 107 23.456 -10.089 -1.507 799 HG3 ARG 107 2HG ARG 107 24.557 -11.110 -2.433 800 HD2 ARG 107 1HD ARG 107 23.941 -11.885 0.370 801 HD3 ARG 107 2HD ARG 107 22.695 -12.132 -0.853 802 HE ARG 107 HE ARG 107 24.980 -13.208 -1.923 803 HH11 ARG 107 2HH1 ARG 107 23.096 -13.703 0.963 804 HH12 ARG 107 1HH1 ARG 107 23.503 -15.382 1.097 805 HH21 ARG 107 2HH2 ARG 107 25.522 -15.418 -1.758 806 HH22 ARG 107 1HH2 ARG 107 24.883 -16.356 -0.451 807 H SER 108 H SER 108 24.785 -9.355 -3.661 808 HA SER 108 HA SER 108 26.751 -10.856 -5.038 809 HB2 SER 108 1HB SER 108 24.272 -10.891 -5.501 810 HB3 SER 108 2HB SER 108 24.460 -9.320 -6.280 811 HG SER 108 HG SER 108 24.564 -11.134 -7.736 812 H GLY 109 H GLY 109 28.659 -10.046 -5.617 813 HA2 GLY 109 1HA GLY 109 28.689 -7.374 -6.882 814 HA3 GLY 109 2HA GLY 109 29.958 -7.909 -5.789 815 HA PRO 110 HA PRO 110 31.445 -8.760 -10.063 816 HB2 PRO 110 1HB PRO 110 34.005 -8.017 -9.552 817 HB3 PRO 110 2HB PRO 110 32.745 -6.866 -10.013 818 HG2 PRO 110 1HG PRO 110 33.815 -7.515 -7.293 819 HG3 PRO 110 2HG PRO 110 33.428 -5.934 -7.995 820 HD2 PRO 110 1HD PRO 110 31.767 -7.213 -6.281 821 HD3 PRO 110 2HD PRO 110 31.172 -6.163 -7.583 822 H SER 111 H SER 111 31.663 -10.891 -10.342 823 HA SER 111 HA SER 111 33.918 -12.264 -9.173 824 HB2 SER 111 1HB SER 111 32.747 -13.944 -7.991 825 HB3 SER 111 2HB SER 111 31.973 -12.436 -7.505 826 HG SER 111 HG SER 111 30.509 -14.169 -8.100 827 H SER 112 H SER 112 34.725 -13.686 -10.583 828 HA SER 112 HA SER 112 33.127 -14.306 -12.963 829 HB2 SER 112 1HB SER 112 36.081 -14.184 -12.423 830 HB3 SER 112 2HB SER 112 35.464 -15.088 -13.806 831 HG SER 112 HG SER 112 34.748 -13.256 -14.710 832 H GLY 113 H GLY 113 32.425 -16.306 -13.372 833 HA2 GLY 113 1HA GLY 113 33.147 -18.423 -11.486 834 HA3 GLY 113 2HA GLY 113 31.778 -18.439 -12.588 Start of MODEL 15 1 H1 GLY 1 H GLY 1 -36.410 12.520 13.616 2 HA2 GLY 1 1HA GLY 1 -35.410 14.251 15.594 3 HA3 GLY 1 2HA GLY 1 -36.398 13.025 16.376 4 H SER 2 H SER 2 -33.465 13.659 14.609 5 HA SER 2 HA SER 2 -32.614 10.932 14.469 6 HB2 SER 2 1HB SER 2 -31.841 12.847 12.968 7 HB3 SER 2 2HB SER 2 -30.821 13.356 14.314 8 HG SER 2 HG SER 2 -29.509 12.024 13.262 9 H SER 3 H SER 3 -31.533 9.749 15.920 10 HA SER 3 HA SER 3 -29.951 10.931 18.007 11 HB2 SER 3 1HB SER 3 -31.249 9.994 19.885 12 HB3 SER 3 2HB SER 3 -32.182 11.193 18.989 13 HG SER 3 HG SER 3 -33.216 9.082 19.554 14 H GLY 4 H GLY 4 -28.296 9.613 18.399 15 HA2 GLY 4 1HA GLY 4 -28.212 6.998 19.042 16 HA3 GLY 4 2HA GLY 4 -28.322 6.937 17.289 17 H SER 5 H SER 5 -26.242 7.094 19.897 18 HA SER 5 HA SER 5 -24.103 8.545 18.644 19 HB2 SER 5 1HB SER 5 -24.575 8.151 21.192 20 HB3 SER 5 2HB SER 5 -23.676 6.656 20.934 21 HG SER 5 HG SER 5 -22.801 9.297 20.880 22 H SER 6 H SER 6 -22.950 7.767 17.019 23 HA SER 6 HA SER 6 -22.211 6.215 15.468 24 HB2 SER 6 1HB SER 6 -20.259 5.113 16.266 25 HB3 SER 6 2HB SER 6 -20.400 6.590 17.219 26 HG SER 6 HG SER 6 -20.491 5.380 18.920 27 H GLY 7 H GLY 7 -24.766 5.464 16.279 28 HA2 GLY 7 1HA GLY 7 -24.602 2.581 16.799 29 HA3 GLY 7 2HA GLY 7 -26.057 3.563 16.890 30 HA PRO 8 HA PRO 8 -27.237 2.129 12.919 31 HB2 PRO 8 1HB PRO 8 -28.706 4.236 12.038 32 HB3 PRO 8 2HB PRO 8 -29.268 3.133 13.300 33 HG2 PRO 8 1HG PRO 8 -28.026 5.844 13.568 34 HG3 PRO 8 2HG PRO 8 -29.411 5.158 14.436 35 HD2 PRO 8 1HD PRO 8 -26.932 5.285 15.517 36 HD3 PRO 8 2HD PRO 8 -28.073 3.978 15.895 37 H ARG 9 H ARG 9 -24.968 4.482 13.350 38 HA ARG 9 HA ARG 9 -24.738 5.195 10.524 39 HB2 ARG 9 1HB ARG 9 -24.491 6.868 12.462 40 HB3 ARG 9 2HB ARG 9 -22.920 6.127 12.734 41 HG2 ARG 9 1HG ARG 9 -23.841 7.518 10.228 42 HG3 ARG 9 2HG ARG 9 -22.667 8.115 11.403 43 HD2 ARG 9 1HD ARG 9 -21.345 5.985 10.879 44 HD3 ARG 9 2HD ARG 9 -22.400 5.830 9.474 45 HE ARG 9 HE ARG 9 -21.152 7.437 8.457 46 HH11 ARG 9 2HH1 ARG 9 -20.785 7.781 11.902 47 HH12 ARG 9 1HH1 ARG 9 -19.621 9.059 11.782 48 HH21 ARG 9 2HH2 ARG 9 -19.622 9.120 8.285 49 HH22 ARG 9 1HH2 ARG 9 -18.961 9.821 9.724 50 H THR 10 H THR 10 -23.993 3.331 9.561 51 HA THR 10 HA THR 10 -21.244 2.568 10.271 52 HB THR 10 HB THR 10 -21.855 0.199 9.593 53 HG1 THR 10 1HG THR 10 -24.059 1.168 8.847 54 HG21 THR 10 1HG2 THR 10 -21.543 1.036 11.959 55 HG22 THR 10 2HG2 THR 10 -22.543 -0.407 11.786 56 HG23 THR 10 3HG2 THR 10 -23.299 1.164 12.055 57 H VAL 11 H VAL 11 -19.958 1.803 8.542 58 HA VAL 11 HA VAL 11 -20.993 2.549 5.886 59 HB VAL 11 HB VAL 11 -18.704 3.009 5.214 60 HG11 VAL 11 1HG1 VAL 11 -18.298 4.729 7.303 61 HG12 VAL 11 2HG1 VAL 11 -19.349 5.035 5.919 62 HG13 VAL 11 3HG1 VAL 11 -20.026 4.398 7.419 63 HG21 VAL 11 1HG2 VAL 11 -18.018 2.109 8.004 64 HG22 VAL 11 2HG2 VAL 11 -17.458 1.426 6.478 65 HG23 VAL 11 3HG2 VAL 11 -16.912 3.026 6.981 66 H LYS 12 H LYS 12 -19.784 1.398 4.065 67 HA LYS 12 HA LYS 12 -20.252 -1.378 4.288 68 HB2 LYS 12 1HB LYS 12 -19.154 0.443 2.208 69 HB3 LYS 12 2HB LYS 12 -18.803 -1.273 2.044 70 HG2 LYS 12 1HG LYS 12 -21.113 -1.818 1.929 71 HG3 LYS 12 2HG LYS 12 -21.583 -0.180 2.387 72 HD2 LYS 12 1HD LYS 12 -21.153 0.670 0.309 73 HD3 LYS 12 2HD LYS 12 -19.892 -0.517 -0.034 74 HE2 LYS 12 1HE LYS 12 -21.553 -1.251 -1.434 75 HE3 LYS 12 2HE LYS 12 -21.909 -2.197 0.011 76 HZ1 LYS 12 1HZ LYS 12 -23.417 -0.182 0.572 77 HZ2 LYS 12 2HZ LYS 12 -23.958 -1.354 -0.522 78 HZ3 LYS 12 3HZ LYS 12 -23.347 0.117 -1.092 79 H GLU 13 H GLU 13 -18.848 -3.119 4.383 80 HA GLU 13 HA GLU 13 -16.237 -2.513 5.551 81 HB2 GLU 13 1HB GLU 13 -17.893 -5.034 5.452 82 HB3 GLU 13 2HB GLU 13 -16.250 -4.992 6.078 83 HG2 GLU 13 1HG GLU 13 -16.895 -3.473 7.821 84 HG3 GLU 13 2HG GLU 13 -18.517 -3.328 7.147 85 H LEU 14 H LEU 14 -14.969 -2.023 3.786 86 HA LEU 14 HA LEU 14 -14.857 -3.811 1.514 87 HB2 LEU 14 1HB LEU 14 -13.050 -1.484 2.134 88 HB3 LEU 14 2HB LEU 14 -13.305 -2.257 0.570 89 HG LEU 14 HG LEU 14 -15.422 -0.708 2.058 90 HD11 LEU 14 1HD1 LEU 14 -14.753 1.205 1.100 91 HD12 LEU 14 2HD1 LEU 14 -14.286 0.409 -0.403 92 HD13 LEU 14 3HD1 LEU 14 -13.190 0.396 0.979 93 HD21 LEU 14 1HD2 LEU 14 -15.967 -2.539 0.293 94 HD22 LEU 14 2HD2 LEU 14 -15.407 -1.332 -0.865 95 HD23 LEU 14 3HD2 LEU 14 -16.767 -0.970 0.199 96 H THR 15 H THR 15 -13.098 -5.072 0.906 97 HA THR 15 HA THR 15 -11.327 -5.822 3.123 98 HB THR 15 HB THR 15 -12.009 -7.322 0.588 99 HG1 THR 15 1HG THR 15 -12.623 -8.042 3.265 100 HG21 THR 15 1HG2 THR 15 -10.623 -9.063 1.276 101 HG22 THR 15 2HG2 THR 15 -10.535 -8.468 2.934 102 HG23 THR 15 3HG2 THR 15 -9.666 -7.630 1.648 103 H VAL 16 H VAL 16 -9.723 -4.265 2.935 104 HA VAL 16 HA VAL 16 -8.395 -3.822 0.405 105 HB VAL 16 HB VAL 16 -7.686 -2.817 3.166 106 HG11 VAL 16 1HG1 VAL 16 -6.265 -1.214 2.034 107 HG12 VAL 16 2HG1 VAL 16 -5.781 -2.855 1.604 108 HG13 VAL 16 3HG1 VAL 16 -6.715 -1.884 0.466 109 HG21 VAL 16 1HG2 VAL 16 -9.903 -2.085 2.293 110 HG22 VAL 16 2HG2 VAL 16 -8.763 -0.765 2.549 111 HG23 VAL 16 3HG2 VAL 16 -9.071 -1.360 0.918 112 H SER 17 H SER 17 -6.786 -5.017 -0.349 113 HA SER 17 HA SER 17 -4.909 -6.262 1.518 114 HB2 SER 17 1HB SER 17 -6.695 -7.935 0.920 115 HB3 SER 17 2HB SER 17 -6.160 -7.816 -0.756 116 HG SER 17 HG SER 17 -5.037 -9.153 1.344 117 H ALA 18 H ALA 18 -2.888 -5.884 0.910 118 HA ALA 18 HA ALA 18 -2.342 -4.683 -1.653 119 HB1 ALA 18 1HB ALA 18 -1.279 -4.050 0.581 120 HB2 ALA 18 2HB ALA 18 -0.270 -5.481 0.367 121 HB3 ALA 18 3HB ALA 18 -0.214 -4.177 -0.819 122 H GLY 19 H GLY 19 -1.701 -7.761 -0.052 123 HA2 GLY 19 1HA GLY 19 -1.748 -9.541 -1.966 124 HA3 GLY 19 2HA GLY 19 -0.265 -8.718 -2.424 125 H ASP 20 H ASP 20 1.484 -8.671 -0.825 126 HA ASP 20 HA ASP 20 1.475 -10.270 1.491 127 HB2 ASP 20 1HB ASP 20 1.259 -12.072 -0.245 128 HB3 ASP 20 2HB ASP 20 2.832 -11.584 -0.869 129 H ASN 21 H ASN 21 3.644 -10.522 2.424 130 HA ASN 21 HA ASN 21 5.134 -8.205 2.360 131 HB2 ASN 21 1HB ASN 21 6.972 -9.617 3.407 132 HB3 ASN 21 2HB ASN 21 5.408 -9.662 4.216 133 HD21 ASN 21 1HD2 ASN 21 6.181 -11.641 5.156 134 HD22 ASN 21 2HD2 ASN 21 6.062 -13.117 4.266 135 H LEU 22 H LEU 22 6.863 -7.453 1.237 136 HA LEU 22 HA LEU 22 7.840 -9.130 -0.980 137 HB2 LEU 22 1HB LEU 22 7.627 -6.125 -0.926 138 HB3 LEU 22 2HB LEU 22 8.149 -7.118 -2.285 139 HG LEU 22 HG LEU 22 5.983 -6.536 -2.861 140 HD11 LEU 22 1HD1 LEU 22 6.437 -9.030 -2.813 141 HD12 LEU 22 2HD1 LEU 22 4.746 -8.536 -2.873 142 HD13 LEU 22 3HD1 LEU 22 5.453 -9.078 -1.351 143 HD21 LEU 22 1HD2 LEU 22 4.081 -6.596 -1.288 144 HD22 LEU 22 2HD2 LEU 22 5.335 -5.455 -0.801 145 HD23 LEU 22 3HD2 LEU 22 5.198 -7.016 0.011 146 H ILE 23 H ILE 23 9.994 -9.365 -1.226 147 HA ILE 23 HA ILE 23 11.741 -7.804 0.564 148 HB ILE 23 HB ILE 23 12.164 -10.671 -0.285 149 HG12 ILE 23 1HG1 ILE 23 11.443 -9.639 2.462 150 HG13 ILE 23 2HG1 ILE 23 10.255 -10.269 1.327 151 HG21 ILE 23 1HG2 ILE 23 14.254 -9.544 0.073 152 HG22 ILE 23 2HG2 ILE 23 13.680 -8.875 1.600 153 HG23 ILE 23 3HG2 ILE 23 13.947 -10.611 1.443 154 HD11 ILE 23 1HD1 ILE 23 12.506 -11.741 2.655 155 HD12 ILE 23 2HD1 ILE 23 10.772 -12.026 2.803 156 HD13 ILE 23 3HD1 ILE 23 11.601 -12.397 1.292 157 H ILE 24 H ILE 24 13.419 -6.787 -0.346 158 HA ILE 24 HA ILE 24 14.105 -7.473 -3.130 159 HB ILE 24 HB ILE 24 14.868 -4.929 -3.091 160 HG12 ILE 24 1HG1 ILE 24 12.542 -5.022 -1.157 161 HG13 ILE 24 2HG1 ILE 24 14.189 -4.535 -0.771 162 HG21 ILE 24 1HG2 ILE 24 13.265 -6.062 -4.632 163 HG22 ILE 24 2HG2 ILE 24 11.979 -5.683 -3.488 164 HG23 ILE 24 3HG2 ILE 24 12.867 -4.381 -4.279 165 HD11 ILE 24 1HD1 ILE 24 12.566 -2.665 -1.080 166 HD12 ILE 24 2HD1 ILE 24 14.002 -2.578 -2.100 167 HD13 ILE 24 3HD1 ILE 24 12.467 -3.115 -2.782 168 H THR 25 H THR 25 16.315 -6.810 -3.770 169 HA THR 25 HA THR 25 18.201 -6.813 -1.512 170 HB THR 25 HB THR 25 18.557 -8.444 -4.033 171 HG1 THR 25 1HG THR 25 16.984 -9.056 -2.145 172 HG21 THR 25 1HG2 THR 25 20.155 -8.759 -1.525 173 HG22 THR 25 2HG2 THR 25 20.567 -7.480 -2.667 174 HG23 THR 25 3HG2 THR 25 20.584 -9.165 -3.186 175 H LEU 26 H LEU 26 19.670 -5.246 -1.631 176 HA LEU 26 HA LEU 26 19.704 -3.250 -3.521 177 HB2 LEU 26 1HB LEU 26 21.752 -4.240 -1.582 178 HB3 LEU 26 2HB LEU 26 22.157 -2.945 -2.707 179 HG LEU 26 HG LEU 26 19.920 -2.850 -0.684 180 HD11 LEU 26 1HD1 LEU 26 22.655 -1.581 -0.656 181 HD12 LEU 26 2HD1 LEU 26 22.074 -2.849 0.423 182 HD13 LEU 26 3HD1 LEU 26 21.358 -1.239 0.490 183 HD21 LEU 26 1HD2 LEU 26 19.435 -1.483 -2.611 184 HD22 LEU 26 2HD2 LEU 26 21.047 -0.770 -2.556 185 HD23 LEU 26 3HD2 LEU 26 19.894 -0.445 -1.261 186 HA PRO 27 HA PRO 27 21.529 -1.793 -4.200 187 HB2 PRO 27 1HB PRO 27 21.442 -0.668 -6.669 188 HB3 PRO 27 2HB PRO 27 22.950 -1.164 -5.892 189 HG2 PRO 27 1HG PRO 27 21.328 -2.592 -7.963 190 HG3 PRO 27 2HG PRO 27 23.087 -2.391 -7.863 191 HD2 PRO 27 1HD PRO 27 21.834 -4.669 -7.105 192 HD3 PRO 27 2HD PRO 27 23.318 -4.089 -6.321 193 H ASP 28 H ASP 28 19.465 -3.660 -6.248 194 HA ASP 28 HA ASP 28 17.429 -1.958 -6.925 195 HB2 ASP 28 1HB ASP 28 17.488 -4.851 -6.163 196 HB3 ASP 28 2HB ASP 28 15.933 -4.063 -6.414 197 H ASN 29 H ASN 29 16.812 -0.377 -5.543 198 HA ASN 29 HA ASN 29 15.708 -1.229 -2.946 199 HB2 ASN 29 1HB ASN 29 16.176 1.211 -2.277 200 HB3 ASN 29 2HB ASN 29 17.554 0.121 -2.397 201 HD21 ASN 29 1HD2 ASN 29 18.714 2.182 -2.558 202 HD22 ASN 29 2HD2 ASN 29 18.889 2.907 -4.116 203 H GLU 30 H GLU 30 14.436 -0.981 -5.632 204 HA GLU 30 HA GLU 30 12.364 0.986 -4.907 205 HB2 GLU 30 1HB GLU 30 12.921 0.136 -7.738 206 HB3 GLU 30 2HB GLU 30 12.034 1.544 -7.170 207 HG2 GLU 30 1HG GLU 30 14.135 2.496 -6.318 208 HG3 GLU 30 2HG GLU 30 15.004 1.105 -6.963 209 H VAL 31 H VAL 31 10.284 0.316 -4.890 210 HA VAL 31 HA VAL 31 9.597 -2.275 -6.056 211 HB VAL 31 HB VAL 31 10.034 -3.063 -3.909 212 HG11 VAL 31 1HG1 VAL 31 8.987 -0.417 -2.980 213 HG12 VAL 31 2HG1 VAL 31 9.068 -1.790 -1.874 214 HG13 VAL 31 3HG1 VAL 31 10.537 -1.185 -2.641 215 HG21 VAL 31 1HG2 VAL 31 7.125 -2.266 -3.920 216 HG22 VAL 31 2HG2 VAL 31 7.815 -3.728 -4.625 217 HG23 VAL 31 3HG2 VAL 31 7.838 -3.496 -2.876 218 H GLU 32 H GLU 32 7.412 -2.526 -6.551 219 HA GLU 32 HA GLU 32 5.784 -0.086 -6.262 220 HB2 GLU 32 1HB GLU 32 6.268 -0.241 -8.558 221 HB3 GLU 32 2HB GLU 32 6.079 -1.989 -8.570 222 HG2 GLU 32 1HG GLU 32 3.738 -1.846 -8.473 223 HG3 GLU 32 2HG GLU 32 3.782 -0.143 -8.021 224 H LEU 33 H LEU 33 4.378 -0.502 -4.671 225 HA LEU 33 HA LEU 33 3.172 -3.150 -4.447 226 HB2 LEU 33 1HB LEU 33 2.670 -0.807 -2.639 227 HB3 LEU 33 2HB LEU 33 2.457 -2.522 -2.294 228 HG LEU 33 HG LEU 33 5.203 -1.525 -2.871 229 HD11 LEU 33 1HD1 LEU 33 5.377 -1.120 -0.348 230 HD12 LEU 33 2HD1 LEU 33 3.622 -0.951 -0.388 231 HD13 LEU 33 3HD1 LEU 33 4.635 0.138 -1.336 232 HD21 LEU 33 1HD2 LEU 33 5.489 -3.693 -2.404 233 HD22 LEU 33 2HD2 LEU 33 3.899 -3.839 -1.657 234 HD23 LEU 33 3HD2 LEU 33 5.260 -3.218 -0.721 235 H LYS 34 H LYS 34 0.861 -3.392 -4.207 236 HA LYS 34 HA LYS 34 -0.759 -1.221 -5.320 237 HB2 LYS 34 1HB LYS 34 0.023 -2.966 -7.080 238 HB3 LYS 34 2HB LYS 34 -1.151 -4.029 -6.313 239 HG2 LYS 34 1HG LYS 34 -2.947 -2.552 -6.856 240 HG3 LYS 34 2HG LYS 34 -1.824 -1.316 -7.427 241 HD2 LYS 34 1HD LYS 34 -2.421 -2.241 -9.429 242 HD3 LYS 34 2HD LYS 34 -1.050 -3.277 -9.028 243 HE2 LYS 34 1HE LYS 34 -2.545 -4.968 -8.151 244 HE3 LYS 34 2HE LYS 34 -3.935 -3.918 -8.423 245 HZ1 LYS 34 1HZ LYS 34 -3.398 -3.982 -10.817 246 HZ2 LYS 34 2HZ LYS 34 -3.798 -5.500 -10.189 247 HZ3 LYS 34 3HZ LYS 34 -2.181 -5.112 -10.498 248 H ALA 35 H ALA 35 -2.910 -1.224 -4.677 249 HA ALA 35 HA ALA 35 -3.515 -3.044 -2.449 250 HB1 ALA 35 1HB ALA 35 -3.462 -0.517 -2.115 251 HB2 ALA 35 2HB ALA 35 -4.964 -0.481 -3.040 252 HB3 ALA 35 3HB ALA 35 -4.883 -1.379 -1.524 253 H PHE 36 H PHE 36 -5.396 -4.214 -2.385 254 HA PHE 36 HA PHE 36 -7.024 -4.182 -4.841 255 HB2 PHE 36 1HB PHE 36 -6.205 -6.494 -3.081 256 HB3 PHE 36 2HB PHE 36 -7.485 -6.614 -4.284 257 HD1 PHE 36 1HD PHE 36 -6.500 -5.233 -6.578 258 HD2 PHE 36 2HD PHE 36 -4.370 -7.663 -3.808 259 HE1 PHE 36 1HE PHE 36 -4.827 -5.736 -8.311 260 HE2 PHE 36 2HE PHE 36 -2.693 -8.168 -5.536 261 HZ PHE 36 HZ PHE 36 -2.920 -7.204 -7.790 262 H VAL 37 H VAL 37 -8.976 -3.373 -4.493 263 HA VAL 37 HA VAL 37 -10.200 -3.699 -1.838 264 HB VAL 37 HB VAL 37 -10.878 -1.709 -4.009 265 HG11 VAL 37 1HG1 VAL 37 -12.718 -1.171 -2.877 266 HG12 VAL 37 2HG1 VAL 37 -12.477 -2.647 -1.939 267 HG13 VAL 37 3HG1 VAL 37 -11.841 -1.111 -1.349 268 HG21 VAL 37 1HG2 VAL 37 -10.040 -0.326 -1.776 269 HG22 VAL 37 2HG2 VAL 37 -8.927 -1.692 -1.851 270 HG23 VAL 37 3HG2 VAL 37 -9.092 -0.613 -3.235 271 H ALA 38 H ALA 38 -11.685 -5.234 -1.689 272 HA ALA 38 HA ALA 38 -13.372 -5.798 -4.041 273 HB1 ALA 38 1HB ALA 38 -11.613 -7.553 -3.022 274 HB2 ALA 38 2HB ALA 38 -13.027 -7.939 -2.040 275 HB3 ALA 38 3HB ALA 38 -13.123 -8.029 -3.799 276 HA PRO 39 HA PRO 39 -15.187 -6.472 -4.695 277 HB2 PRO 39 1HB PRO 39 -17.312 -4.931 -5.388 278 HB3 PRO 39 2HB PRO 39 -17.483 -6.535 -4.666 279 HG2 PRO 39 1HG PRO 39 -17.671 -3.844 -3.368 280 HG3 PRO 39 2HG PRO 39 -18.698 -5.272 -3.138 281 HD2 PRO 39 1HD PRO 39 -16.737 -4.594 -1.399 282 HD3 PRO 39 2HD PRO 39 -17.195 -6.280 -1.712 283 H ALA 40 H ALA 40 -14.654 -5.315 -6.589 284 HA ALA 40 HA ALA 40 -13.119 -2.943 -6.134 285 HB1 ALA 40 1HB ALA 40 -13.714 -4.638 -8.526 286 HB2 ALA 40 2HB ALA 40 -12.928 -3.070 -8.715 287 HB3 ALA 40 3HB ALA 40 -12.170 -4.323 -7.733 288 HA PRO 41 HA PRO 41 -16.157 0.129 -6.964 289 HB2 PRO 41 1HB PRO 41 -14.544 2.132 -7.832 290 HB3 PRO 41 2HB PRO 41 -14.640 1.643 -6.137 291 HG2 PRO 41 1HG PRO 41 -12.597 0.924 -8.203 292 HG3 PRO 41 2HG PRO 41 -12.359 1.381 -6.506 293 HD2 PRO 41 1HD PRO 41 -12.296 -1.193 -7.344 294 HD3 PRO 41 2HD PRO 41 -12.882 -0.728 -5.734 295 HA PRO 42 HA PRO 42 -17.144 -0.174 -11.258 296 HB2 PRO 42 1HB PRO 42 -18.963 1.837 -11.405 297 HB3 PRO 42 2HB PRO 42 -19.308 0.284 -10.635 298 HG2 PRO 42 1HG PRO 42 -18.535 2.889 -9.380 299 HG3 PRO 42 2HG PRO 42 -19.769 1.723 -8.868 300 HD2 PRO 42 1HD PRO 42 -17.327 1.864 -7.706 301 HD3 PRO 42 2HD PRO 42 -18.224 0.340 -7.861 302 H VAL 43 H VAL 43 -17.719 1.666 -13.057 303 HA VAL 43 HA VAL 43 -15.221 2.929 -13.587 304 HB VAL 43 HB VAL 43 -16.622 2.068 -15.401 305 HG11 VAL 43 1HG1 VAL 43 -18.768 2.866 -14.192 306 HG12 VAL 43 2HG1 VAL 43 -18.491 4.379 -15.056 307 HG13 VAL 43 3HG1 VAL 43 -18.721 2.879 -15.955 308 HG21 VAL 43 1HG2 VAL 43 -15.006 3.983 -15.715 309 HG22 VAL 43 2HG2 VAL 43 -16.264 3.831 -16.942 310 HG23 VAL 43 3HG2 VAL 43 -16.404 5.056 -15.681 311 H GLU 44 H GLU 44 -18.447 4.140 -12.728 312 HA GLU 44 HA GLU 44 -17.718 6.884 -12.787 313 HB2 GLU 44 1HB GLU 44 -20.024 5.401 -11.534 314 HB3 GLU 44 2HB GLU 44 -19.846 7.146 -11.404 315 HG2 GLU 44 1HG GLU 44 -19.971 7.380 -13.800 316 HG3 GLU 44 2HG GLU 44 -20.020 5.629 -13.998 317 H THR 45 H THR 45 -18.598 4.891 -9.962 318 HA THR 45 HA THR 45 -17.368 6.702 -8.131 319 HB THR 45 HB THR 45 -18.236 3.852 -7.613 320 HG1 THR 45 1HG THR 45 -20.108 5.219 -6.709 321 HG21 THR 45 1HG2 THR 45 -16.784 5.465 -5.983 322 HG22 THR 45 2HG2 THR 45 -17.902 4.226 -5.411 323 HG23 THR 45 3HG2 THR 45 -18.425 5.907 -5.514 324 H THR 46 H THR 46 -15.459 6.518 -7.006 325 HA THR 46 HA THR 46 -13.703 4.253 -7.584 326 HB THR 46 HB THR 46 -11.785 5.830 -7.981 327 HG1 THR 46 1HG THR 46 -13.903 7.652 -7.806 328 HG21 THR 46 1HG2 THR 46 -14.007 6.024 -10.017 329 HG22 THR 46 2HG2 THR 46 -12.957 4.622 -9.810 330 HG23 THR 46 3HG2 THR 46 -12.276 6.166 -10.321 331 H TYR 47 H TYR 47 -12.122 3.872 -6.022 332 HA TYR 47 HA TYR 47 -12.659 5.141 -3.452 333 HB2 TYR 47 1HB TYR 47 -11.070 2.684 -4.206 334 HB3 TYR 47 2HB TYR 47 -11.201 3.296 -2.561 335 HD1 TYR 47 2HD TYR 47 -13.976 4.000 -2.263 336 HD2 TYR 47 1HD TYR 47 -12.267 0.713 -4.354 337 HE1 TYR 47 2HE TYR 47 -16.058 2.727 -1.952 338 HE2 TYR 47 1HE TYR 47 -14.344 -0.569 -4.050 339 HH TYR 47 HH TYR 47 -16.938 0.199 -3.655 340 H ASN 48 H ASN 48 -10.932 5.861 -2.073 341 HA ASN 48 HA ASN 48 -8.733 7.048 -3.609 342 HB2 ASN 48 1HB ASN 48 -10.128 7.799 -1.062 343 HB3 ASN 48 2HB ASN 48 -8.499 8.391 -1.375 344 HD21 ASN 48 1HD2 ASN 48 -11.731 8.205 -2.787 345 HD22 ASN 48 2HD2 ASN 48 -11.637 9.704 -3.640 346 H TYR 49 H TYR 49 -6.720 6.337 -3.374 347 HA TYR 49 HA TYR 49 -6.157 4.438 -1.211 348 HB2 TYR 49 1HB TYR 49 -4.517 4.981 -3.691 349 HB3 TYR 49 2HB TYR 49 -4.318 3.646 -2.562 350 HD1 TYR 49 1HD TYR 49 -5.893 1.774 -2.558 351 HD2 TYR 49 2HD TYR 49 -6.260 4.953 -5.362 352 HE1 TYR 49 1HE TYR 49 -7.413 0.395 -3.914 353 HE2 TYR 49 2HE TYR 49 -7.781 3.583 -6.725 354 HH TYR 49 HH TYR 49 -8.770 0.341 -5.678 355 H GLU 50 H GLU 50 -5.255 5.302 0.533 356 HA GLU 50 HA GLU 50 -3.237 7.419 0.163 357 HB2 GLU 50 1HB GLU 50 -5.131 8.379 1.268 358 HB3 GLU 50 2HB GLU 50 -5.239 7.027 2.386 359 HG2 GLU 50 1HG GLU 50 -3.463 7.750 3.651 360 HG3 GLU 50 2HG GLU 50 -2.758 8.675 2.326 361 H TRP 51 H TRP 51 -1.324 6.417 0.320 362 HA TRP 51 HA TRP 51 -0.936 4.256 2.224 363 HB2 TRP 51 1HB TRP 51 0.871 5.480 0.134 364 HB3 TRP 51 2HB TRP 51 1.372 4.181 1.213 365 HD1 TRP 51 HD TRP 51 -0.881 4.871 -1.800 366 HE1 TRP 51 1HE TRP 51 -1.552 2.623 -2.858 367 HE3 TRP 51 3HE TRP 51 1.015 1.710 1.742 368 HZ2 TRP 51 2HZ TRP 51 -1.310 -0.127 -2.269 369 HZ3 TRP 51 3HZ TRP 51 0.752 -0.716 1.420 370 HH2 TRP 51 HH TRP 51 -0.387 -1.613 -0.544 371 H ASN 52 H ASN 52 0.643 4.273 3.869 372 HA ASN 52 HA ASN 52 2.026 6.721 4.516 373 HB2 ASN 52 1HB ASN 52 -0.369 5.790 6.060 374 HB3 ASN 52 2HB ASN 52 0.947 6.604 6.902 375 HD21 ASN 52 1HD2 ASN 52 -1.808 6.966 4.963 376 HD22 ASN 52 2HD2 ASN 52 -1.718 8.676 4.734 377 H LEU 53 H LEU 53 3.636 6.449 6.105 378 HA LEU 53 HA LEU 53 4.327 3.639 6.587 379 HB2 LEU 53 1HB LEU 53 5.936 5.115 5.388 380 HB3 LEU 53 2HB LEU 53 6.069 6.084 6.854 381 HG LEU 53 HG LEU 53 7.051 4.201 8.036 382 HD11 LEU 53 1HD1 LEU 53 6.719 2.727 5.428 383 HD12 LEU 53 2HD1 LEU 53 5.905 2.374 6.952 384 HD13 LEU 53 3HD1 LEU 53 7.648 2.148 6.811 385 HD21 LEU 53 1HD2 LEU 53 8.547 4.348 5.452 386 HD22 LEU 53 2HD2 LEU 53 9.161 4.351 7.106 387 HD23 LEU 53 3HD2 LEU 53 8.367 5.787 6.456 388 H ILE 54 H ILE 54 3.638 2.913 8.491 389 HA ILE 54 HA ILE 54 3.647 4.723 10.801 390 HB ILE 54 HB ILE 54 2.254 2.990 11.909 391 HG12 ILE 54 1HG1 ILE 54 3.196 1.175 10.289 392 HG13 ILE 54 2HG1 ILE 54 1.528 1.055 10.839 393 HG21 ILE 54 1HG2 ILE 54 0.874 4.607 11.113 394 HG22 ILE 54 2HG2 ILE 54 1.454 4.443 9.456 395 HG23 ILE 54 3HG2 ILE 54 0.310 3.271 10.110 396 HD11 ILE 54 1HD1 ILE 54 1.763 2.606 8.407 397 HD12 ILE 54 2HD1 ILE 54 2.407 0.973 8.232 398 HD13 ILE 54 3HD1 ILE 54 0.746 1.213 8.771 399 H SER 55 H SER 55 5.032 1.770 9.563 400 HA SER 55 HA SER 55 6.665 1.561 12.009 401 HB2 SER 55 1HB SER 55 4.957 -0.344 11.324 402 HB3 SER 55 2HB SER 55 6.264 -0.812 10.236 403 HG SER 55 HG SER 55 6.220 -0.746 13.046 404 H HIS 56 H HIS 56 8.734 2.009 11.704 405 HA HIS 56 HA HIS 56 10.288 0.960 9.595 406 HB2 HIS 56 1HB HIS 56 10.794 2.951 8.328 407 HB3 HIS 56 2HB HIS 56 9.049 2.711 8.322 408 HD1 HIS 56 1HD HIS 56 11.628 5.163 9.135 409 HD2 HIS 56 2HD HIS 56 7.648 4.511 10.134 410 HE1 HIS 56 1HE HIS 56 10.812 7.338 10.097 411 HE2 HIS 56 2HE HIS 56 8.426 6.893 10.773 412 HA PRO 57 HA PRO 57 13.455 1.905 12.486 413 HB2 PRO 57 1HB PRO 57 15.626 1.951 10.857 414 HB3 PRO 57 2HB PRO 57 14.790 0.458 11.302 415 HG2 PRO 57 1HG PRO 57 14.558 2.085 8.800 416 HG3 PRO 57 2HG PRO 57 14.653 0.324 8.985 417 HD2 PRO 57 1HD PRO 57 12.314 1.621 8.560 418 HD3 PRO 57 2HD PRO 57 12.420 0.135 9.526 419 H THR 58 H THR 58 15.272 3.449 12.903 420 HA THR 58 HA THR 58 14.409 6.124 12.289 421 HB THR 58 HB THR 58 15.419 5.268 14.516 422 HG1 THR 58 1HG THR 58 15.848 7.701 13.195 423 HG21 THR 58 1HG2 THR 58 17.928 5.848 12.937 424 HG22 THR 58 2HG2 THR 58 17.455 4.297 13.630 425 HG23 THR 58 3HG2 THR 58 17.860 5.648 14.688 426 H ASP 59 H ASP 59 16.909 3.954 11.213 427 HA ASP 59 HA ASP 59 18.639 5.851 10.040 428 HB2 ASP 59 1HB ASP 59 18.164 2.941 9.368 429 HB3 ASP 59 2HB ASP 59 19.477 3.911 8.706 430 H TYR 60 H TYR 60 15.588 4.584 9.079 431 HA TYR 60 HA TYR 60 15.662 4.781 6.321 432 HB2 TYR 60 1HB TYR 60 13.740 3.862 7.485 433 HB3 TYR 60 2HB TYR 60 13.385 5.428 8.205 434 HD1 TYR 60 1HD TYR 60 14.199 4.415 4.700 435 HD2 TYR 60 2HD TYR 60 11.383 6.196 7.345 436 HE1 TYR 60 1HE TYR 60 12.755 4.961 2.785 437 HE2 TYR 60 2HE TYR 60 9.930 6.746 5.438 438 HH TYR 60 HH TYR 60 10.283 5.401 2.410 439 H GLN 61 H GLN 61 15.458 6.402 4.845 440 HA GLN 61 HA GLN 61 15.212 9.150 5.855 441 HB2 GLN 61 1HB GLN 61 17.337 8.027 4.050 442 HB3 GLN 61 2HB GLN 61 16.916 9.734 4.002 443 HG2 GLN 61 1HG GLN 61 17.395 9.830 6.455 444 HG3 GLN 61 2HG GLN 61 18.018 8.186 6.330 445 HE21 GLN 61 1HE2 GLN 61 20.120 8.046 6.095 446 HE22 GLN 61 2HE2 GLN 61 21.151 9.229 5.372 447 H GLY 62 H GLY 62 14.830 6.870 3.221 448 HA2 GLY 62 1HA GLY 62 13.992 8.371 1.119 449 HA3 GLY 62 2HA GLY 62 13.242 6.840 1.544 450 H GLU 63 H GLU 63 11.874 8.959 0.303 451 HA GLU 63 HA GLU 63 9.994 9.708 2.443 452 HB2 GLU 63 1HB GLU 63 9.486 11.760 1.133 453 HB3 GLU 63 2HB GLU 63 11.134 11.711 1.743 454 HG2 GLU 63 1HG GLU 63 10.624 10.690 -0.997 455 HG3 GLU 63 2HG GLU 63 10.584 12.432 -0.730 456 H ILE 64 H ILE 64 7.936 9.125 2.140 457 HA ILE 64 HA ILE 64 7.226 7.913 -0.438 458 HB ILE 64 HB ILE 64 5.790 7.649 2.205 459 HG12 ILE 64 1HG1 ILE 64 7.435 5.491 0.919 460 HG13 ILE 64 2HG1 ILE 64 8.201 6.692 1.953 461 HG21 ILE 64 1HG2 ILE 64 5.140 6.886 -0.498 462 HG22 ILE 64 2HG2 ILE 64 5.234 5.474 0.554 463 HG23 ILE 64 3HG2 ILE 64 4.152 6.806 0.961 464 HD11 ILE 64 1HD1 ILE 64 7.540 4.521 3.045 465 HD12 ILE 64 2HD1 ILE 64 6.970 5.992 3.834 466 HD13 ILE 64 3HD1 ILE 64 5.865 5.035 2.849 467 H LYS 65 H LYS 65 5.455 8.551 -1.597 468 HA LYS 65 HA LYS 65 4.344 11.157 -0.885 469 HB2 LYS 65 1HB LYS 65 4.103 9.567 -3.446 470 HB3 LYS 65 2HB LYS 65 3.521 11.208 -3.200 471 HG2 LYS 65 1HG LYS 65 6.407 10.537 -2.793 472 HG3 LYS 65 2HG LYS 65 5.765 10.845 -4.408 473 HD2 LYS 65 1HD LYS 65 4.886 13.023 -3.560 474 HD3 LYS 65 2HD LYS 65 5.730 12.715 -2.041 475 HE2 LYS 65 1HE LYS 65 7.198 12.629 -4.650 476 HE3 LYS 65 2HE LYS 65 6.874 14.169 -3.855 477 HZ1 LYS 65 1HZ LYS 65 7.893 12.376 -1.956 478 HZ2 LYS 65 2HZ LYS 65 8.587 13.810 -2.525 479 HZ3 LYS 65 3HZ LYS 65 8.914 12.345 -3.304 480 H GLN 66 H GLN 66 3.553 8.492 0.318 481 HA GLN 66 HA GLN 66 1.668 7.423 1.014 482 HB2 GLN 66 1HB GLN 66 0.417 10.078 0.294 483 HB3 GLN 66 2HB GLN 66 -0.358 8.826 1.256 484 HG2 GLN 66 1HG GLN 66 0.916 9.247 3.093 485 HG3 GLN 66 2HG GLN 66 2.290 9.816 2.147 486 HE21 GLN 66 1HE2 GLN 66 -0.767 10.662 3.564 487 HE22 GLN 66 2HE2 GLN 66 -0.594 12.374 3.415 488 H GLY 67 H GLY 67 2.428 7.346 -1.871 489 HA2 GLY 67 1HA GLY 67 1.481 6.847 -3.947 490 HA3 GLY 67 2HA GLY 67 0.762 5.585 -2.958 491 H HIS 68 H HIS 68 0.264 8.824 -4.259 492 HA HIS 68 HA HIS 68 -2.369 9.213 -3.405 493 HB2 HIS 68 1HB HIS 68 -0.731 10.282 -5.671 494 HB3 HIS 68 2HB HIS 68 -2.455 10.637 -5.613 495 HD1 HIS 68 1HD HIS 68 -0.488 10.459 -2.442 496 HD2 HIS 68 2HD HIS 68 -1.976 13.337 -5.042 497 HE1 HIS 68 1HE HIS 68 -0.246 12.649 -1.230 498 HE2 HIS 68 2HE HIS 68 -1.231 14.365 -2.788 499 H LYS 69 H LYS 69 -1.148 6.917 -5.530 500 HA LYS 69 HA LYS 69 -3.783 6.543 -6.794 501 HB2 LYS 69 1HB LYS 69 -0.997 6.068 -7.756 502 HB3 LYS 69 2HB LYS 69 -2.278 5.020 -8.350 503 HG2 LYS 69 1HG LYS 69 -3.290 6.690 -9.532 504 HG3 LYS 69 2HG LYS 69 -2.704 7.958 -8.453 505 HD2 LYS 69 1HD LYS 69 -0.539 7.899 -9.409 506 HD3 LYS 69 2HD LYS 69 -0.877 6.390 -10.259 507 HE2 LYS 69 1HE LYS 69 -2.259 7.445 -11.821 508 HE3 LYS 69 2HE LYS 69 -2.468 8.873 -10.807 509 HZ1 LYS 69 1HZ LYS 69 0.015 8.068 -12.224 510 HZ2 LYS 69 2HZ LYS 69 -0.111 9.391 -11.178 511 HZ3 LYS 69 3HZ LYS 69 -0.993 9.367 -12.621 512 H GLN 70 H GLN 70 -3.800 4.028 -7.577 513 HA GLN 70 HA GLN 70 -4.151 2.563 -5.165 514 HB2 GLN 70 1HB GLN 70 -5.644 2.027 -6.905 515 HB3 GLN 70 2HB GLN 70 -4.348 1.855 -8.081 516 HG2 GLN 70 1HG GLN 70 -3.689 -0.222 -7.216 517 HG3 GLN 70 2HG GLN 70 -4.613 0.011 -5.733 518 HE21 GLN 70 1HE2 GLN 70 -4.752 -2.244 -7.444 519 HE22 GLN 70 2HE2 GLN 70 -6.359 -2.327 -8.074 520 H THR 71 H THR 71 -1.418 3.250 -6.923 521 HA THR 71 HA THR 71 -0.031 0.888 -5.836 522 HB THR 71 HB THR 71 1.629 1.454 -7.823 523 HG1 THR 71 1HG THR 71 0.022 1.902 -9.666 524 HG21 THR 71 1HG2 THR 71 0.154 -0.632 -7.318 525 HG22 THR 71 2HG2 THR 71 0.801 -0.403 -8.943 526 HG23 THR 71 3HG2 THR 71 -0.877 0.010 -8.596 527 H LEU 72 H LEU 72 1.867 1.237 -4.776 528 HA LEU 72 HA LEU 72 2.733 4.042 -4.521 529 HB2 LEU 72 1HB LEU 72 1.710 2.622 -2.528 530 HB3 LEU 72 2HB LEU 72 3.372 2.046 -2.415 531 HG LEU 72 HG LEU 72 2.270 4.776 -1.888 532 HD11 LEU 72 1HD1 LEU 72 4.428 3.352 -0.389 533 HD12 LEU 72 2HD1 LEU 72 2.739 2.898 -0.165 534 HD13 LEU 72 3HD1 LEU 72 3.264 4.545 0.185 535 HD21 LEU 72 1HD2 LEU 72 3.949 5.526 -3.248 536 HD22 LEU 72 2HD2 LEU 72 4.951 4.098 -2.988 537 HD23 LEU 72 3HD2 LEU 72 4.840 5.338 -1.738 538 H ASN 73 H ASN 73 4.634 4.428 -5.425 539 HA ASN 73 HA ASN 73 6.545 2.216 -5.716 540 HB2 ASN 73 1HB ASN 73 5.914 4.632 -7.323 541 HB3 ASN 73 2HB ASN 73 7.603 4.138 -7.272 542 HD21 ASN 73 1HD2 ASN 73 4.467 2.484 -7.478 543 HD22 ASN 73 2HD2 ASN 73 4.890 1.491 -8.828 544 H LEU 74 H LEU 74 8.372 2.203 -4.579 545 HA LEU 74 HA LEU 74 9.121 4.656 -3.132 546 HB2 LEU 74 1HB LEU 74 9.278 1.758 -2.454 547 HB3 LEU 74 2HB LEU 74 10.467 2.860 -1.762 548 HG LEU 74 HG LEU 74 8.267 4.190 -1.082 549 HD11 LEU 74 1HD1 LEU 74 7.099 2.027 -2.238 550 HD12 LEU 74 2HD1 LEU 74 6.349 3.034 -1.000 551 HD13 LEU 74 3HD1 LEU 74 7.154 1.533 -0.546 552 HD21 LEU 74 1HD2 LEU 74 8.370 3.026 1.093 553 HD22 LEU 74 2HD2 LEU 74 9.964 3.454 0.471 554 HD23 LEU 74 3HD2 LEU 74 9.390 1.790 0.358 555 H SER 75 H SER 75 11.386 5.105 -2.858 556 HA SER 75 HA SER 75 13.242 3.718 -4.622 557 HB2 SER 75 1HB SER 75 13.957 5.775 -5.745 558 HB3 SER 75 2HB SER 75 12.245 5.473 -6.044 559 HG SER 75 HG SER 75 12.253 6.912 -3.906 560 H GLN 76 H GLN 76 15.497 4.582 -4.351 561 HA GLN 76 HA GLN 76 17.265 4.827 -2.928 562 HB2 GLN 76 1HB GLN 76 15.488 7.167 -2.423 563 HB3 GLN 76 2HB GLN 76 16.861 6.925 -1.350 564 HG2 GLN 76 1HG GLN 76 18.324 6.854 -3.372 565 HG3 GLN 76 2HG GLN 76 16.919 7.320 -4.330 566 HE21 GLN 76 1HE2 GLN 76 19.536 8.649 -3.649 567 HE22 GLN 76 2HE2 GLN 76 19.084 10.220 -3.090 568 H LEU 77 H LEU 77 15.303 2.944 -2.063 569 HA LEU 77 HA LEU 77 14.821 3.290 0.739 570 HB2 LEU 77 1HB LEU 77 14.543 0.971 -1.148 571 HB3 LEU 77 2HB LEU 77 14.239 0.810 0.581 572 HG LEU 77 HG LEU 77 12.766 2.755 -1.189 573 HD11 LEU 77 1HD1 LEU 77 12.186 -0.108 -0.515 574 HD12 LEU 77 2HD1 LEU 77 12.148 0.693 -2.085 575 HD13 LEU 77 3HD1 LEU 77 10.893 1.031 -0.893 576 HD21 LEU 77 1HD2 LEU 77 12.895 2.317 1.632 577 HD22 LEU 77 2HD2 LEU 77 11.279 1.913 1.053 578 HD23 LEU 77 3HD2 LEU 77 11.957 3.510 0.733 579 H SER 78 H SER 78 15.835 2.296 2.467 580 HA SER 78 HA SER 78 18.530 1.267 1.891 581 HB2 SER 78 1HB SER 78 17.415 2.625 4.353 582 HB3 SER 78 2HB SER 78 19.023 1.904 4.274 583 HG SER 78 HG SER 78 19.656 3.431 2.861 584 H VAL 79 H VAL 79 19.274 -0.085 3.990 585 HA VAL 79 HA VAL 79 17.704 -2.477 3.886 586 HB VAL 79 HB VAL 79 20.114 -1.809 5.581 587 HG11 VAL 79 1HG1 VAL 79 19.991 -3.824 6.530 588 HG12 VAL 79 2HG1 VAL 79 18.330 -3.886 5.938 589 HG13 VAL 79 3HG1 VAL 79 19.631 -4.612 4.994 590 HG21 VAL 79 1HG2 VAL 79 21.435 -2.400 3.865 591 HG22 VAL 79 2HG2 VAL 79 20.369 -3.714 3.368 592 HG23 VAL 79 3HG2 VAL 79 20.018 -2.059 2.871 593 H GLY 80 H GLY 80 15.954 -2.843 5.071 594 HA2 GLY 80 1HA GLY 80 15.743 -2.936 7.776 595 HA3 GLY 80 2HA GLY 80 15.369 -1.259 7.408 596 H LEU 81 H LEU 81 13.418 -2.510 8.623 597 HA LEU 81 HA LEU 81 11.615 -3.684 6.653 598 HB2 LEU 81 1HB LEU 81 11.880 -4.708 8.893 599 HB3 LEU 81 2HB LEU 81 11.213 -3.243 9.608 600 HG LEU 81 HG LEU 81 9.072 -3.664 8.553 601 HD11 LEU 81 1HD1 LEU 81 10.648 -5.525 6.972 602 HD12 LEU 81 2HD1 LEU 81 9.090 -4.777 6.623 603 HD13 LEU 81 3HD1 LEU 81 9.164 -6.244 7.597 604 HD21 LEU 81 1HD2 LEU 81 9.089 -4.647 10.637 605 HD22 LEU 81 2HD2 LEU 81 10.328 -5.821 10.194 606 HD23 LEU 81 3HD2 LEU 81 8.677 -6.016 9.605 607 H TYR 82 H TYR 82 9.647 -2.804 6.070 608 HA TYR 82 HA TYR 82 8.941 -0.167 7.113 609 HB2 TYR 82 1HB TYR 82 9.149 -0.695 4.145 610 HB3 TYR 82 2HB TYR 82 8.757 0.832 4.929 611 HD1 TYR 82 2HD TYR 82 10.497 2.169 5.992 612 HD2 TYR 82 1HD TYR 82 11.435 -1.489 4.032 613 HE1 TYR 82 2HE TYR 82 12.878 2.785 5.993 614 HE2 TYR 82 1HE TYR 82 13.818 -0.884 4.028 615 HH TYR 82 HH TYR 82 15.287 0.818 4.342 616 H VAL 83 H VAL 83 6.849 -0.110 7.570 617 HA VAL 83 HA VAL 83 5.064 -2.024 6.222 618 HB VAL 83 HB VAL 83 4.736 -0.686 8.911 619 HG11 VAL 83 1HG1 VAL 83 3.025 -2.962 8.176 620 HG12 VAL 83 2HG1 VAL 83 2.634 -1.481 9.052 621 HG13 VAL 83 3HG1 VAL 83 2.715 -1.469 7.290 622 HG21 VAL 83 1HG2 VAL 83 6.449 -2.618 8.515 623 HG22 VAL 83 2HG2 VAL 83 5.382 -2.656 9.919 624 HG23 VAL 83 3HG2 VAL 83 5.005 -3.631 8.498 625 H PHE 84 H PHE 84 3.871 -1.128 4.682 626 HA PHE 84 HA PHE 84 3.082 1.687 4.937 627 HB2 PHE 84 1HB PHE 84 2.738 0.027 2.454 628 HB3 PHE 84 2HB PHE 84 2.882 1.776 2.599 629 HD1 PHE 84 2HD PHE 84 5.147 2.681 3.442 630 HD2 PHE 84 1HD PHE 84 4.585 -1.245 1.898 631 HE1 PHE 84 2HE PHE 84 7.559 2.520 2.981 632 HE2 PHE 84 1HE PHE 84 6.995 -1.413 1.435 633 HZ PHE 84 HZ PHE 84 8.486 0.472 1.976 634 H LYS 85 H LYS 85 1.073 2.173 5.495 635 HA LYS 85 HA LYS 85 -0.984 0.083 5.317 636 HB2 LYS 85 1HB LYS 85 -0.839 0.794 7.546 637 HB3 LYS 85 2HB LYS 85 -0.632 2.480 7.093 638 HG2 LYS 85 1HG LYS 85 -3.052 2.189 6.123 639 HG3 LYS 85 2HG LYS 85 -3.116 0.855 7.278 640 HD2 LYS 85 1HD LYS 85 -2.048 3.415 8.295 641 HD3 LYS 85 2HD LYS 85 -3.768 3.389 7.898 642 HE2 LYS 85 1HE LYS 85 -2.686 1.121 9.476 643 HE3 LYS 85 2HE LYS 85 -2.840 2.678 10.290 644 HZ1 LYS 85 1HZ LYS 85 -5.016 1.193 8.920 645 HZ2 LYS 85 2HZ LYS 85 -5.182 2.724 9.619 646 HZ3 LYS 85 3HZ LYS 85 -4.832 1.384 10.591 647 H VAL 86 H VAL 86 -2.160 0.228 3.521 648 HA VAL 86 HA VAL 86 -2.643 2.811 2.271 649 HB VAL 86 HB VAL 86 -2.117 1.201 0.663 650 HG11 VAL 86 1HG1 VAL 86 -3.642 -0.613 2.423 651 HG12 VAL 86 2HG1 VAL 86 -3.714 -0.959 0.694 652 HG13 VAL 86 3HG1 VAL 86 -2.155 -0.892 1.517 653 HG21 VAL 86 1HG2 VAL 86 -3.817 1.563 -0.748 654 HG22 VAL 86 2HG2 VAL 86 -4.975 0.723 0.283 655 HG23 VAL 86 3HG2 VAL 86 -4.573 2.410 0.602 656 H THR 87 H THR 87 -4.100 3.849 3.605 657 HA THR 87 HA THR 87 -6.525 2.553 4.469 658 HB THR 87 HB THR 87 -6.323 5.508 4.604 659 HG1 THR 87 1HG THR 87 -4.865 5.194 6.472 660 HG21 THR 87 1HG2 THR 87 -6.755 3.727 6.947 661 HG22 THR 87 2HG2 THR 87 -8.007 3.778 5.705 662 HG23 THR 87 3HG2 THR 87 -7.526 5.258 6.534 663 H VAL 88 H VAL 88 -8.066 2.149 3.018 664 HA VAL 88 HA VAL 88 -8.709 4.245 1.046 665 HB VAL 88 HB VAL 88 -8.832 1.249 0.820 666 HG11 VAL 88 1HG1 VAL 88 -10.937 1.747 -0.013 667 HG12 VAL 88 2HG1 VAL 88 -10.421 3.300 -0.673 668 HG13 VAL 88 3HG1 VAL 88 -9.930 1.799 -1.459 669 HG21 VAL 88 1HG2 VAL 88 -7.449 1.537 -1.068 670 HG22 VAL 88 2HG2 VAL 88 -7.775 3.268 -1.144 671 HG23 VAL 88 3HG2 VAL 88 -6.791 2.612 0.165 672 H SER 89 H SER 89 -10.430 5.326 1.766 673 HA SER 89 HA SER 89 -12.751 3.764 2.685 674 HB2 SER 89 1HB SER 89 -11.373 5.189 4.439 675 HB3 SER 89 2HB SER 89 -12.306 6.520 3.755 676 HG SER 89 HG SER 89 -13.136 5.071 5.633 677 H SER 90 H SER 90 -14.824 4.797 2.340 678 HA SER 90 HA SER 90 -14.796 6.854 0.238 679 HB2 SER 90 1HB SER 90 -15.182 4.529 -0.684 680 HB3 SER 90 2HB SER 90 -16.684 4.493 0.240 681 HG SER 90 HG SER 90 -16.665 5.278 -2.081 682 H GLU 91 H GLU 91 -17.364 7.363 -0.147 683 HA GLU 91 HA GLU 91 -18.136 8.872 2.072 684 HB2 GLU 91 1HB GLU 91 -18.916 9.452 -0.132 685 HB3 GLU 91 2HB GLU 91 -19.743 7.909 -0.297 686 HG2 GLU 91 1HG GLU 91 -21.429 8.510 1.185 687 HG3 GLU 91 2HG GLU 91 -20.477 9.818 1.886 688 H ASN 92 H ASN 92 -19.340 5.737 0.917 689 HA ASN 92 HA ASN 92 -20.556 5.332 3.570 690 HB2 ASN 92 1HB ASN 92 -22.183 3.800 2.328 691 HB3 ASN 92 2HB ASN 92 -22.391 5.533 2.091 692 HD21 ASN 92 1HD2 ASN 92 -23.400 5.334 0.128 693 HD22 ASN 92 2HD2 ASN 92 -22.582 4.814 -1.302 694 H ALA 93 H ALA 93 -17.885 4.644 2.811 695 HA ALA 93 HA ALA 93 -17.964 1.824 3.464 696 HB1 ALA 93 1HB ALA 93 -16.734 1.016 1.627 697 HB2 ALA 93 2HB ALA 93 -18.017 2.009 0.934 698 HB3 ALA 93 3HB ALA 93 -16.376 2.643 1.049 699 H PHE 94 H PHE 94 -15.698 0.973 3.824 700 HA PHE 94 HA PHE 94 -13.586 2.848 4.252 701 HB2 PHE 94 1HB PHE 94 -14.916 3.444 6.193 702 HB3 PHE 94 2HB PHE 94 -15.044 1.753 6.664 703 HD1 PHE 94 1HD PHE 94 -11.966 3.331 5.403 704 HD2 PHE 94 2HD PHE 94 -14.091 1.955 8.825 705 HE1 PHE 94 1HE PHE 94 -9.924 3.557 6.757 706 HE2 PHE 94 2HE PHE 94 -12.053 2.181 10.185 707 HZ PHE 94 HZ PHE 94 -9.966 2.983 9.152 708 H GLY 95 H GLY 95 -11.702 1.801 4.098 709 HA2 GLY 95 1HA GLY 95 -11.462 -0.942 5.052 710 HA3 GLY 95 2HA GLY 95 -11.262 -0.705 3.322 711 H GLU 96 H GLU 96 -9.378 -1.586 5.476 712 HA GLU 96 HA GLU 96 -7.202 0.227 4.737 713 HB2 GLU 96 1HB GLU 96 -7.218 -0.806 7.531 714 HB3 GLU 96 2HB GLU 96 -6.498 0.661 6.882 715 HG2 GLU 96 1HG GLU 96 -8.282 1.318 8.287 716 HG3 GLU 96 2HG GLU 96 -8.807 1.581 6.625 717 H GLY 97 H GLY 97 -5.166 -0.733 4.615 718 HA2 GLY 97 1HA GLY 97 -5.092 -3.649 5.056 719 HA3 GLY 97 2HA GLY 97 -4.539 -2.958 3.538 720 H PHE 98 H PHE 98 -2.805 -4.507 4.872 721 HA PHE 98 HA PHE 98 -0.789 -2.569 5.728 722 HB2 PHE 98 1HB PHE 98 -1.922 -4.761 7.377 723 HB3 PHE 98 2HB PHE 98 -0.175 -4.554 7.437 724 HD1 PHE 98 2HD PHE 98 -3.339 -2.618 7.747 725 HD2 PHE 98 1HD PHE 98 0.738 -3.023 8.902 726 HE1 PHE 98 2HE PHE 98 -3.618 -0.784 9.364 727 HE2 PHE 98 1HE PHE 98 0.464 -1.191 10.522 728 HZ PHE 98 HZ PHE 98 -1.715 -0.069 10.753 729 H VAL 99 H VAL 99 1.116 -2.922 4.786 730 HA VAL 99 HA VAL 99 1.850 -5.623 3.945 731 HB VAL 99 HB VAL 99 0.712 -4.506 2.011 732 HG11 VAL 99 1HG1 VAL 99 3.110 -2.817 1.572 733 HG12 VAL 99 2HG1 VAL 99 1.435 -2.561 1.077 734 HG13 VAL 99 3HG1 VAL 99 1.920 -2.253 2.745 735 HG21 VAL 99 1HG2 VAL 99 3.360 -5.723 2.063 736 HG22 VAL 99 2HG2 VAL 99 1.969 -6.080 1.039 737 HG23 VAL 99 3HG2 VAL 99 3.063 -4.765 0.613 738 H ASN 100 H ASN 100 3.884 -6.032 4.495 739 HA ASN 100 HA ASN 100 5.661 -3.768 5.078 740 HB2 ASN 100 1HB ASN 100 7.004 -5.778 6.169 741 HB3 ASN 100 2HB ASN 100 5.665 -5.008 7.015 742 HD21 ASN 100 1HD2 ASN 100 5.588 -7.028 8.193 743 HD22 ASN 100 2HD2 ASN 100 4.718 -8.362 7.525 744 H VAL 101 H VAL 101 7.900 -3.901 4.463 745 HA VAL 101 HA VAL 101 8.546 -5.804 2.338 746 HB VAL 101 HB VAL 101 8.622 -2.807 2.027 747 HG11 VAL 101 1HG1 VAL 101 9.580 -3.826 -0.327 748 HG12 VAL 101 2HG1 VAL 101 10.560 -3.092 0.944 749 HG13 VAL 101 3HG1 VAL 101 10.369 -4.845 0.876 750 HG21 VAL 101 1HG2 VAL 101 6.589 -3.387 1.196 751 HG22 VAL 101 2HG2 VAL 101 7.555 -3.725 -0.240 752 HG23 VAL 101 3HG2 VAL 101 7.084 -5.041 0.835 753 H THR 102 H THR 102 10.524 -6.599 2.601 754 HA THR 102 HA THR 102 12.348 -5.232 4.446 755 HB THR 102 HB THR 102 12.549 -8.059 3.395 756 HG1 THR 102 1HG THR 102 11.196 -6.947 5.602 757 HG21 THR 102 1HG2 THR 102 14.651 -7.673 4.197 758 HG22 THR 102 2HG2 THR 102 13.861 -8.103 5.714 759 HG23 THR 102 3HG2 THR 102 14.116 -6.408 5.301 760 H VAL 103 H VAL 103 14.473 -4.771 3.910 761 HA VAL 103 HA VAL 103 15.145 -4.996 1.048 762 HB VAL 103 HB VAL 103 15.775 -2.738 2.951 763 HG11 VAL 103 1HG1 VAL 103 17.686 -2.614 1.759 764 HG12 VAL 103 2HG1 VAL 103 17.042 -3.570 0.423 765 HG13 VAL 103 3HG1 VAL 103 16.642 -1.857 0.556 766 HG21 VAL 103 1HG2 VAL 103 14.614 -1.469 1.016 767 HG22 VAL 103 2HG2 VAL 103 13.972 -3.053 0.580 768 HG23 VAL 103 3HG2 VAL 103 13.621 -2.366 2.166 769 H LYS 104 H LYS 104 16.510 -6.704 1.039 770 HA LYS 104 HA LYS 104 18.449 -7.163 3.093 771 HB2 LYS 104 1HB LYS 104 18.211 -8.394 0.341 772 HB3 LYS 104 2HB LYS 104 19.230 -8.990 1.645 773 HG2 LYS 104 1HG LYS 104 16.251 -8.741 1.920 774 HG3 LYS 104 2HG LYS 104 17.032 -10.186 1.273 775 HD2 LYS 104 1HD LYS 104 18.410 -10.233 3.394 776 HD3 LYS 104 2HD LYS 104 17.322 -8.993 4.023 777 HE2 LYS 104 1HE LYS 104 15.418 -10.524 3.605 778 HE3 LYS 104 2HE LYS 104 16.565 -11.766 3.108 779 HZ1 LYS 104 1HZ LYS 104 17.271 -12.098 5.229 780 HZ2 LYS 104 2HZ LYS 104 15.681 -11.626 5.559 781 HZ3 LYS 104 3HZ LYS 104 16.945 -10.514 5.726 782 HA PRO 105 HA PRO 105 21.822 -4.756 1.637 783 HB2 PRO 105 1HB PRO 105 23.917 -6.283 2.443 784 HB3 PRO 105 2HB PRO 105 22.916 -5.355 3.566 785 HG2 PRO 105 1HG PRO 105 22.796 -8.268 2.887 786 HG3 PRO 105 2HG PRO 105 22.674 -7.482 4.473 787 HD2 PRO 105 1HD PRO 105 20.504 -8.349 3.105 788 HD3 PRO 105 2HD PRO 105 20.458 -6.927 4.167 789 H ALA 106 H ALA 106 23.511 -4.670 0.080 790 HA ALA 106 HA ALA 106 23.066 -6.127 -2.263 791 HB1 ALA 106 1HB ALA 106 25.646 -5.214 -2.528 792 HB2 ALA 106 2HB ALA 106 24.183 -4.312 -2.925 793 HB3 ALA 106 3HB ALA 106 24.948 -4.103 -1.349 794 H ARG 107 H ARG 107 23.286 -8.280 -2.346 795 HA ARG 107 HA ARG 107 25.262 -9.708 -0.856 796 HB2 ARG 107 1HB ARG 107 23.398 -10.576 -3.070 797 HB3 ARG 107 2HB ARG 107 24.444 -11.673 -2.179 798 HG2 ARG 107 1HG ARG 107 22.522 -9.922 -0.711 799 HG3 ARG 107 2HG ARG 107 21.964 -11.408 -1.483 800 HD2 ARG 107 1HD ARG 107 22.494 -12.239 0.571 801 HD3 ARG 107 2HD ARG 107 24.060 -12.415 -0.219 802 HE ARG 107 HE ARG 107 23.865 -9.886 1.031 803 HH11 ARG 107 2HH1 ARG 107 24.279 -13.268 1.743 804 HH12 ARG 107 1HH1 ARG 107 25.153 -12.986 3.211 805 HH21 ARG 107 2HH2 ARG 107 25.015 -9.501 2.963 806 HH22 ARG 107 1HH2 ARG 107 25.571 -10.843 3.905 807 H SER 108 H SER 108 27.253 -10.328 -1.435 808 HA SER 108 HA SER 108 28.134 -9.687 -4.170 809 HB2 SER 108 1HB SER 108 29.592 -9.709 -1.533 810 HB3 SER 108 2HB SER 108 30.461 -9.748 -3.067 811 HG SER 108 HG SER 108 30.280 -7.635 -2.722 812 H GLY 109 H GLY 109 28.511 -11.347 -5.470 813 HA2 GLY 109 1HA GLY 109 30.073 -13.579 -4.818 814 HA3 GLY 109 2HA GLY 109 28.385 -14.037 -4.643 815 HA PRO 110 HA PRO 110 29.888 -14.406 -9.116 816 HB2 PRO 110 1HB PRO 110 29.796 -17.114 -9.288 817 HB3 PRO 110 2HB PRO 110 31.241 -16.233 -8.780 818 HG2 PRO 110 1HG PRO 110 29.180 -17.616 -7.107 819 HG3 PRO 110 2HG PRO 110 30.945 -17.622 -6.939 820 HD2 PRO 110 1HD PRO 110 29.341 -16.066 -5.409 821 HD3 PRO 110 2HD PRO 110 30.977 -15.571 -5.887 822 H SER 111 H SER 111 27.223 -14.870 -7.244 823 HA SER 111 HA SER 111 25.365 -16.403 -8.373 824 HB2 SER 111 1HB SER 111 25.157 -13.546 -7.468 825 HB3 SER 111 2HB SER 111 23.742 -14.380 -8.108 826 HG SER 111 HG SER 111 25.169 -14.832 -5.751 827 H SER 112 H SER 112 26.510 -13.369 -9.793 828 HA SER 112 HA SER 112 25.382 -14.243 -12.365 829 HB2 SER 112 1HB SER 112 24.135 -12.311 -11.100 830 HB3 SER 112 2HB SER 112 25.476 -11.325 -11.680 831 HG SER 112 HG SER 112 23.468 -11.603 -13.045 832 H GLY 113 H GLY 113 27.356 -11.517 -11.175 833 HA2 GLY 113 1HA GLY 113 29.764 -12.446 -12.353 834 HA3 GLY 113 2HA GLY 113 28.979 -11.291 -13.420 Start of MODEL 16 1 H1 GLY 1 H GLY 1 -15.067 6.461 16.612 2 HA2 GLY 1 1HA GLY 1 -16.565 4.734 18.219 3 HA3 GLY 1 2HA GLY 1 -15.754 5.871 19.286 4 H SER 2 H SER 2 -16.589 7.864 19.552 5 HA SER 2 HA SER 2 -18.733 8.711 17.723 6 HB2 SER 2 1HB SER 2 -18.815 8.404 20.692 7 HB3 SER 2 2HB SER 2 -19.698 9.750 19.971 8 HG SER 2 HG SER 2 -20.540 7.987 18.505 9 H SER 3 H SER 3 -19.105 10.999 17.644 10 HA SER 3 HA SER 3 -16.697 12.539 18.342 11 HB2 SER 3 1HB SER 3 -17.477 14.118 16.547 12 HB3 SER 3 2HB SER 3 -17.064 12.506 15.962 13 HG SER 3 HG SER 3 -19.130 13.505 15.230 14 H GLY 4 H GLY 4 -20.230 12.933 18.032 15 HA2 GLY 4 1HA GLY 4 -20.542 14.116 20.571 16 HA3 GLY 4 2HA GLY 4 -20.412 15.388 19.366 17 H SER 5 H SER 5 -22.439 13.049 20.809 18 HA SER 5 HA SER 5 -24.663 12.608 20.631 19 HB2 SER 5 1HB SER 5 -24.749 15.144 20.614 20 HB3 SER 5 2HB SER 5 -24.851 15.047 18.856 21 HG SER 5 HG SER 5 -26.829 14.893 20.550 22 H SER 6 H SER 6 -22.895 11.341 18.833 23 HA SER 6 HA SER 6 -24.364 11.246 16.301 24 HB2 SER 6 1HB SER 6 -21.854 11.461 16.310 25 HB3 SER 6 2HB SER 6 -21.779 9.839 16.997 26 HG SER 6 HG SER 6 -23.261 9.434 15.011 27 H GLY 7 H GLY 7 -25.896 9.770 16.048 28 HA2 GLY 7 1HA GLY 7 -26.214 7.604 17.911 29 HA3 GLY 7 2HA GLY 7 -27.239 7.949 16.525 30 HA PRO 8 HA PRO 8 -25.101 4.048 15.473 31 HB2 PRO 8 1HB PRO 8 -27.174 3.063 14.022 32 HB3 PRO 8 2HB PRO 8 -27.075 2.912 15.780 33 HG2 PRO 8 1HG PRO 8 -28.615 4.880 14.131 34 HG3 PRO 8 2HG PRO 8 -29.124 3.993 15.580 35 HD2 PRO 8 1HD PRO 8 -28.320 6.578 15.661 36 HD3 PRO 8 2HD PRO 8 -28.044 5.450 17.004 37 H ARG 9 H ARG 9 -23.861 3.753 13.717 38 HA ARG 9 HA ARG 9 -24.699 4.608 11.095 39 HB2 ARG 9 1HB ARG 9 -22.560 5.993 10.814 40 HB3 ARG 9 2HB ARG 9 -23.890 6.725 11.701 41 HG2 ARG 9 1HG ARG 9 -22.805 6.559 13.731 42 HG3 ARG 9 2HG ARG 9 -21.747 5.260 13.175 43 HD2 ARG 9 1HD ARG 9 -20.883 7.105 11.520 44 HD3 ARG 9 2HD ARG 9 -21.546 8.202 12.731 45 HE ARG 9 HE ARG 9 -19.990 6.392 14.112 46 HH11 ARG 9 2HH1 ARG 9 -19.519 8.744 11.588 47 HH12 ARG 9 1HH1 ARG 9 -17.877 9.079 12.027 48 HH21 ARG 9 2HH2 ARG 9 -17.829 6.824 14.699 49 HH22 ARG 9 1HH2 ARG 9 -16.916 7.985 13.796 50 H THR 10 H THR 10 -24.059 3.059 9.764 51 HA THR 10 HA THR 10 -21.473 1.741 10.257 52 HB THR 10 HB THR 10 -22.545 -0.372 9.341 53 HG1 THR 10 1HG THR 10 -24.577 1.204 8.955 54 HG21 THR 10 1HG2 THR 10 -23.719 -0.859 11.557 55 HG22 THR 10 2HG2 THR 10 -23.305 0.796 12.007 56 HG23 THR 10 3HG2 THR 10 -22.029 -0.364 11.638 57 H VAL 11 H VAL 11 -20.262 1.232 8.468 58 HA VAL 11 HA VAL 11 -21.321 2.180 5.884 59 HB VAL 11 HB VAL 11 -19.075 2.771 5.226 60 HG11 VAL 11 1HG1 VAL 11 -18.650 4.234 7.534 61 HG12 VAL 11 2HG1 VAL 11 -19.642 4.716 6.156 62 HG13 VAL 11 3HG1 VAL 11 -20.386 3.921 7.545 63 HG21 VAL 11 1HG2 VAL 11 -17.862 1.001 6.372 64 HG22 VAL 11 2HG2 VAL 11 -17.181 2.577 6.775 65 HG23 VAL 11 3HG2 VAL 11 -18.219 1.744 7.931 66 H LYS 12 H LYS 12 -20.033 1.188 3.993 67 HA LYS 12 HA LYS 12 -20.394 -1.646 4.119 68 HB2 LYS 12 1HB LYS 12 -19.601 0.318 2.014 69 HB3 LYS 12 2HB LYS 12 -19.252 -1.384 1.743 70 HG2 LYS 12 1HG LYS 12 -21.709 -1.802 2.267 71 HG3 LYS 12 2HG LYS 12 -21.919 -0.058 2.094 72 HD2 LYS 12 1HD LYS 12 -22.397 -0.843 -0.036 73 HD3 LYS 12 2HD LYS 12 -20.698 -0.382 -0.168 74 HE2 LYS 12 1HE LYS 12 -21.368 -3.171 0.634 75 HE3 LYS 12 2HE LYS 12 -21.563 -2.709 -1.056 76 HZ1 LYS 12 1HZ LYS 12 -19.199 -3.352 0.322 77 HZ2 LYS 12 2HZ LYS 12 -19.091 -1.750 -0.208 78 HZ3 LYS 12 3HZ LYS 12 -19.398 -2.989 -1.319 79 H GLU 13 H GLU 13 -18.971 -2.991 4.990 80 HA GLU 13 HA GLU 13 -16.262 -2.279 5.493 81 HB2 GLU 13 1HB GLU 13 -16.025 -4.574 6.324 82 HB3 GLU 13 2HB GLU 13 -17.471 -3.807 6.965 83 HG2 GLU 13 1HG GLU 13 -18.659 -4.971 4.974 84 HG3 GLU 13 2HG GLU 13 -17.227 -5.999 4.957 85 H LEU 14 H LEU 14 -14.722 -2.195 4.008 86 HA LEU 14 HA LEU 14 -14.904 -3.927 1.650 87 HB2 LEU 14 1HB LEU 14 -13.050 -1.600 2.113 88 HB3 LEU 14 2HB LEU 14 -13.359 -2.430 0.590 89 HG LEU 14 HG LEU 14 -15.409 -0.802 2.089 90 HD11 LEU 14 1HD1 LEU 14 -13.220 0.229 0.861 91 HD12 LEU 14 2HD1 LEU 14 -14.771 1.055 1.006 92 HD13 LEU 14 3HD1 LEU 14 -14.373 0.180 -0.473 93 HD21 LEU 14 1HD2 LEU 14 -16.015 -1.007 -0.633 94 HD22 LEU 14 2HD2 LEU 14 -16.848 -1.785 0.713 95 HD23 LEU 14 3HD2 LEU 14 -15.547 -2.631 -0.127 96 H THR 15 H THR 15 -12.857 -4.836 0.807 97 HA THR 15 HA THR 15 -11.130 -5.727 3.024 98 HB THR 15 HB THR 15 -11.857 -7.187 0.478 99 HG1 THR 15 1HG THR 15 -12.440 -7.711 3.221 100 HG21 THR 15 1HG2 THR 15 -10.619 -9.027 2.025 101 HG22 THR 15 2HG2 THR 15 -9.697 -7.585 2.446 102 HG23 THR 15 3HG2 THR 15 -9.807 -8.100 0.764 103 H VAL 16 H VAL 16 -9.560 -4.138 2.834 104 HA VAL 16 HA VAL 16 -8.261 -3.717 0.265 105 HB VAL 16 HB VAL 16 -7.728 -2.468 2.964 106 HG11 VAL 16 1HG1 VAL 16 -6.678 -1.530 0.308 107 HG12 VAL 16 2HG1 VAL 16 -6.201 -1.004 1.924 108 HG13 VAL 16 3HG1 VAL 16 -5.769 -2.618 1.357 109 HG21 VAL 16 1HG2 VAL 16 -9.734 -1.544 2.357 110 HG22 VAL 16 2HG2 VAL 16 -8.625 -0.438 1.545 111 HG23 VAL 16 3HG2 VAL 16 -9.419 -1.720 0.630 112 H SER 17 H SER 17 -6.735 -5.084 -0.364 113 HA SER 17 HA SER 17 -4.768 -6.002 1.618 114 HB2 SER 17 1HB SER 17 -6.514 -7.775 1.018 115 HB3 SER 17 2HB SER 17 -5.784 -7.794 -0.588 116 HG SER 17 HG SER 17 -3.741 -8.052 0.840 117 H ALA 18 H ALA 18 -2.749 -5.583 1.025 118 HA ALA 18 HA ALA 18 -2.150 -4.370 -1.474 119 HB1 ALA 18 1HB ALA 18 0.173 -4.382 -0.691 120 HB2 ALA 18 2HB ALA 18 -0.932 -3.779 0.544 121 HB3 ALA 18 3HB ALA 18 -0.293 -5.419 0.658 122 H GLY 19 H GLY 19 -1.572 -7.591 -0.119 123 HA2 GLY 19 1HA GLY 19 -1.840 -9.223 -2.156 124 HA3 GLY 19 2HA GLY 19 -0.339 -8.445 -2.634 125 H ASP 20 H ASP 20 1.430 -8.507 -0.970 126 HA ASP 20 HA ASP 20 1.416 -10.384 1.127 127 HB2 ASP 20 1HB ASP 20 1.236 -11.947 -0.838 128 HB3 ASP 20 2HB ASP 20 2.821 -11.380 -1.356 129 H ASN 21 H ASN 21 3.531 -10.667 2.102 130 HA ASN 21 HA ASN 21 5.021 -8.342 2.248 131 HB2 ASN 21 1HB ASN 21 6.797 -9.812 3.308 132 HB3 ASN 21 2HB ASN 21 5.193 -9.909 4.030 133 HD21 ASN 21 1HD2 ASN 21 7.733 -11.708 3.256 134 HD22 ASN 21 2HD2 ASN 21 6.969 -13.218 2.908 135 H LEU 22 H LEU 22 6.794 -7.538 1.240 136 HA LEU 22 HA LEU 22 7.833 -9.082 -1.045 137 HB2 LEU 22 1HB LEU 22 7.769 -6.085 -0.748 138 HB3 LEU 22 2HB LEU 22 8.259 -6.999 -2.173 139 HG LEU 22 HG LEU 22 6.150 -6.262 -2.753 140 HD11 LEU 22 1HD1 LEU 22 5.520 -8.875 -1.395 141 HD12 LEU 22 2HD1 LEU 22 6.381 -8.737 -2.927 142 HD13 LEU 22 3HD1 LEU 22 4.716 -8.171 -2.798 143 HD21 LEU 22 1HD2 LEU 22 5.375 -6.752 0.113 144 HD22 LEU 22 2HD2 LEU 22 4.204 -6.393 -1.155 145 HD23 LEU 22 3HD2 LEU 22 5.451 -5.214 -0.747 146 H ILE 23 H ILE 23 10.018 -9.243 -1.336 147 HA ILE 23 HA ILE 23 11.751 -7.903 0.626 148 HB ILE 23 HB ILE 23 11.938 -10.809 -0.179 149 HG12 ILE 23 1HG1 ILE 23 11.389 -9.574 2.528 150 HG13 ILE 23 2HG1 ILE 23 10.153 -10.254 1.475 151 HG21 ILE 23 1HG2 ILE 23 13.714 -10.676 1.745 152 HG22 ILE 23 2HG2 ILE 23 14.145 -10.247 0.091 153 HG23 ILE 23 3HG2 ILE 23 13.794 -8.981 1.266 154 HD11 ILE 23 1HD1 ILE 23 12.372 -11.678 2.899 155 HD12 ILE 23 2HD1 ILE 23 10.631 -11.915 3.054 156 HD13 ILE 23 3HD1 ILE 23 11.462 -12.418 1.583 157 H ILE 24 H ILE 24 13.280 -6.769 -0.351 158 HA ILE 24 HA ILE 24 14.165 -7.613 -3.033 159 HB ILE 24 HB ILE 24 14.926 -5.076 -3.067 160 HG12 ILE 24 1HG1 ILE 24 12.487 -5.019 -1.277 161 HG13 ILE 24 2HG1 ILE 24 14.129 -4.669 -0.747 162 HG21 ILE 24 1HG2 ILE 24 12.056 -5.868 -3.534 163 HG22 ILE 24 2HG2 ILE 24 12.937 -4.555 -4.313 164 HG23 ILE 24 3HG2 ILE 24 13.387 -6.229 -4.633 165 HD11 ILE 24 1HD1 ILE 24 12.848 -2.636 -1.135 166 HD12 ILE 24 2HD1 ILE 24 14.214 -2.757 -2.244 167 HD13 ILE 24 3HD1 ILE 24 12.584 -3.118 -2.811 168 H THR 25 H THR 25 16.408 -6.842 -3.582 169 HA THR 25 HA THR 25 18.180 -6.801 -1.240 170 HB THR 25 HB THR 25 18.577 -8.573 -3.659 171 HG1 THR 25 1HG THR 25 18.418 -9.532 -1.026 172 HG21 THR 25 1HG2 THR 25 20.269 -8.648 -1.194 173 HG22 THR 25 2HG2 THR 25 20.609 -7.459 -2.451 174 HG23 THR 25 3HG2 THR 25 20.649 -9.180 -2.831 175 H LEU 26 H LEU 26 19.826 -5.390 -1.386 176 HA LEU 26 HA LEU 26 19.897 -3.392 -3.301 177 HB2 LEU 26 1HB LEU 26 21.959 -4.406 -1.374 178 HB3 LEU 26 2HB LEU 26 22.297 -3.057 -2.456 179 HG LEU 26 HG LEU 26 20.266 -3.172 -0.235 180 HD11 LEU 26 1HD1 LEU 26 21.879 -0.889 -0.105 181 HD12 LEU 26 2HD1 LEU 26 22.967 -2.229 -0.469 182 HD13 LEU 26 3HD1 LEU 26 21.924 -2.301 0.951 183 HD21 LEU 26 1HD2 LEU 26 20.040 -0.668 -1.012 184 HD22 LEU 26 2HD2 LEU 26 19.061 -1.942 -1.742 185 HD23 LEU 26 3HD2 LEU 26 20.499 -1.347 -2.575 186 HA PRO 27 HA PRO 27 21.717 -1.986 -4.019 187 HB2 PRO 27 1HB PRO 27 21.652 -0.939 -6.523 188 HB3 PRO 27 2HB PRO 27 23.152 -1.419 -5.721 189 HG2 PRO 27 1HG PRO 27 21.533 -2.902 -7.756 190 HG3 PRO 27 2HG PRO 27 23.293 -2.709 -7.651 191 HD2 PRO 27 1HD PRO 27 22.022 -4.954 -6.829 192 HD3 PRO 27 2HD PRO 27 23.504 -4.359 -6.055 193 H ASP 28 H ASP 28 19.699 -3.800 -6.219 194 HA ASP 28 HA ASP 28 17.674 -2.149 -6.903 195 HB2 ASP 28 1HB ASP 28 17.752 -5.014 -6.102 196 HB3 ASP 28 2HB ASP 28 16.168 -4.256 -6.238 197 H ASN 29 H ASN 29 16.833 -0.566 -5.701 198 HA ASN 29 HA ASN 29 15.797 -1.269 -3.034 199 HB2 ASN 29 1HB ASN 29 16.224 1.130 -2.409 200 HB3 ASN 29 2HB ASN 29 17.679 0.178 -2.688 201 HD21 ASN 29 1HD2 ASN 29 18.994 1.857 -3.217 202 HD22 ASN 29 2HD2 ASN 29 18.803 2.807 -4.648 203 H GLU 30 H GLU 30 14.525 -1.248 -5.724 204 HA GLU 30 HA GLU 30 12.423 0.745 -5.179 205 HB2 GLU 30 1HB GLU 30 13.116 -0.428 -7.875 206 HB3 GLU 30 2HB GLU 30 11.983 0.876 -7.544 207 HG2 GLU 30 1HG GLU 30 13.866 2.256 -6.740 208 HG3 GLU 30 2HG GLU 30 14.971 0.961 -7.198 209 H VAL 31 H VAL 31 10.365 0.053 -5.000 210 HA VAL 31 HA VAL 31 9.641 -2.624 -5.903 211 HB VAL 31 HB VAL 31 10.390 -3.046 -3.639 212 HG11 VAL 31 1HG1 VAL 31 8.932 -1.924 -1.787 213 HG12 VAL 31 2HG1 VAL 31 10.318 -1.065 -2.464 214 HG13 VAL 31 3HG1 VAL 31 8.686 -0.678 -3.010 215 HG21 VAL 31 1HG2 VAL 31 8.391 -4.058 -2.735 216 HG22 VAL 31 2HG2 VAL 31 7.375 -3.017 -3.731 217 HG23 VAL 31 3HG2 VAL 31 8.398 -4.237 -4.489 218 H GLU 32 H GLU 32 7.518 -2.824 -6.458 219 HA GLU 32 HA GLU 32 5.872 -0.402 -6.171 220 HB2 GLU 32 1HB GLU 32 6.187 -0.790 -8.468 221 HB3 GLU 32 2HB GLU 32 5.994 -2.528 -8.292 222 HG2 GLU 32 1HG GLU 32 3.689 -0.797 -7.597 223 HG3 GLU 32 2HG GLU 32 4.094 -1.001 -9.300 224 H LEU 33 H LEU 33 4.010 -0.490 -5.078 225 HA LEU 33 HA LEU 33 2.979 -3.144 -4.319 226 HB2 LEU 33 1HB LEU 33 2.651 -0.659 -2.666 227 HB3 LEU 33 2HB LEU 33 2.392 -2.334 -2.186 228 HG LEU 33 HG LEU 33 5.139 -1.461 -2.953 229 HD11 LEU 33 1HD1 LEU 33 5.230 0.087 -1.366 230 HD12 LEU 33 2HD1 LEU 33 4.988 -1.199 -0.184 231 HD13 LEU 33 3HD1 LEU 33 3.603 -0.303 -0.807 232 HD21 LEU 33 1HD2 LEU 33 5.572 -3.077 -0.989 233 HD22 LEU 33 2HD2 LEU 33 5.030 -3.742 -2.530 234 HD23 LEU 33 3HD2 LEU 33 3.884 -3.543 -1.203 235 H LYS 34 H LYS 34 0.826 -3.518 -4.527 236 HA LYS 34 HA LYS 34 -0.817 -1.301 -5.564 237 HB2 LYS 34 1HB LYS 34 -0.259 -3.019 -7.275 238 HB3 LYS 34 2HB LYS 34 -1.055 -4.229 -6.277 239 HG2 LYS 34 1HG LYS 34 -3.176 -3.154 -6.556 240 HG3 LYS 34 2HG LYS 34 -2.425 -1.789 -7.386 241 HD2 LYS 34 1HD LYS 34 -1.563 -3.672 -9.007 242 HD3 LYS 34 2HD LYS 34 -2.943 -4.560 -8.359 243 HE2 LYS 34 1HE LYS 34 -3.891 -3.520 -10.178 244 HE3 LYS 34 2HE LYS 34 -4.241 -2.359 -8.899 245 HZ1 LYS 34 1HZ LYS 34 -1.719 -1.789 -10.008 246 HZ2 LYS 34 2HZ LYS 34 -3.110 -0.826 -9.997 247 HZ3 LYS 34 3HZ LYS 34 -2.847 -1.917 -11.263 248 H ALA 35 H ALA 35 -2.866 -1.053 -4.768 249 HA ALA 35 HA ALA 35 -3.516 -2.671 -2.405 250 HB1 ALA 35 1HB ALA 35 -4.562 -0.849 -1.487 251 HB2 ALA 35 2HB ALA 35 -3.311 -0.055 -2.444 252 HB3 ALA 35 3HB ALA 35 -4.962 -0.149 -3.056 253 H PHE 36 H PHE 36 -4.857 -4.299 -2.819 254 HA PHE 36 HA PHE 36 -6.836 -4.056 -4.949 255 HB2 PHE 36 1HB PHE 36 -5.738 -6.360 -3.364 256 HB3 PHE 36 2HB PHE 36 -7.237 -6.533 -4.271 257 HD1 PHE 36 1HD PHE 36 -7.228 -6.309 -6.727 258 HD2 PHE 36 2HD PHE 36 -3.630 -6.304 -4.453 259 HE1 PHE 36 1HE PHE 36 -5.939 -6.773 -8.771 260 HE2 PHE 36 2HE PHE 36 -2.336 -6.767 -6.493 261 HZ PHE 36 HZ PHE 36 -3.490 -7.001 -8.656 262 H VAL 37 H VAL 37 -8.906 -3.625 -4.577 263 HA VAL 37 HA VAL 37 -9.925 -3.933 -1.827 264 HB VAL 37 HB VAL 37 -10.772 -1.889 -3.885 265 HG11 VAL 37 1HG1 VAL 37 -12.689 -2.021 -2.699 266 HG12 VAL 37 2HG1 VAL 37 -11.901 -2.759 -1.303 267 HG13 VAL 37 3HG1 VAL 37 -11.798 -1.016 -1.556 268 HG21 VAL 37 1HG2 VAL 37 -8.586 -1.893 -2.094 269 HG22 VAL 37 2HG2 VAL 37 -9.164 -0.570 -3.107 270 HG23 VAL 37 3HG2 VAL 37 -9.778 -0.756 -1.464 271 H ALA 38 H ALA 38 -11.513 -5.353 -1.588 272 HA ALA 38 HA ALA 38 -13.197 -5.991 -3.922 273 HB1 ALA 38 1HB ALA 38 -12.900 -8.201 -3.660 274 HB2 ALA 38 2HB ALA 38 -11.442 -7.723 -2.790 275 HB3 ALA 38 3HB ALA 38 -12.917 -8.098 -1.899 276 HA PRO 39 HA PRO 39 -15.016 -6.810 -4.507 277 HB2 PRO 39 1HB PRO 39 -17.189 -5.376 -5.278 278 HB3 PRO 39 2HB PRO 39 -17.310 -6.928 -4.441 279 HG2 PRO 39 1HG PRO 39 -17.552 -4.156 -3.336 280 HG3 PRO 39 2HG PRO 39 -18.539 -5.589 -2.991 281 HD2 PRO 39 1HD PRO 39 -16.574 -4.738 -1.332 282 HD3 PRO 39 2HD PRO 39 -16.992 -6.454 -1.517 283 H ALA 40 H ALA 40 -15.070 -5.566 -6.609 284 HA ALA 40 HA ALA 40 -13.335 -3.260 -6.358 285 HB1 ALA 40 1HB ALA 40 -14.330 -4.716 -8.805 286 HB2 ALA 40 2HB ALA 40 -13.116 -3.436 -8.796 287 HB3 ALA 40 3HB ALA 40 -12.785 -4.970 -7.992 288 HA PRO 41 HA PRO 41 -16.456 -0.197 -6.875 289 HB2 PRO 41 1HB PRO 41 -14.921 1.816 -7.856 290 HB3 PRO 41 2HB PRO 41 -14.879 1.314 -6.162 291 HG2 PRO 41 1HG PRO 41 -13.010 0.614 -8.393 292 HG3 PRO 41 2HG PRO 41 -12.635 1.058 -6.717 293 HD2 PRO 41 1HD PRO 41 -12.638 -1.509 -7.579 294 HD3 PRO 41 2HD PRO 41 -13.091 -1.058 -5.923 295 HA PRO 42 HA PRO 42 -17.824 -0.354 -11.062 296 HB2 PRO 42 1HB PRO 42 -19.444 1.824 -11.101 297 HB3 PRO 42 2HB PRO 42 -19.872 0.323 -10.271 298 HG2 PRO 42 1HG PRO 42 -18.744 2.856 -9.142 299 HG3 PRO 42 2HG PRO 42 -20.038 1.825 -8.503 300 HD2 PRO 42 1HD PRO 42 -17.503 1.740 -7.554 301 HD3 PRO 42 2HD PRO 42 -18.554 0.310 -7.599 302 H VAL 43 H VAL 43 -18.358 1.492 -12.857 303 HA VAL 43 HA VAL 43 -15.786 2.562 -13.539 304 HB VAL 43 HB VAL 43 -17.243 1.647 -15.274 305 HG11 VAL 43 1HG1 VAL 43 -19.046 4.022 -14.881 306 HG12 VAL 43 2HG1 VAL 43 -19.305 2.611 -15.908 307 HG13 VAL 43 3HG1 VAL 43 -19.366 2.449 -14.152 308 HG21 VAL 43 1HG2 VAL 43 -16.695 3.183 -16.905 309 HG22 VAL 43 2HG2 VAL 43 -17.099 4.567 -15.889 310 HG23 VAL 43 3HG2 VAL 43 -15.613 3.662 -15.597 311 H GLU 44 H GLU 44 -18.791 3.832 -12.274 312 HA GLU 44 HA GLU 44 -18.031 6.587 -12.662 313 HB2 GLU 44 1HB GLU 44 -20.273 5.466 -10.974 314 HB3 GLU 44 2HB GLU 44 -20.099 7.127 -11.522 315 HG2 GLU 44 1HG GLU 44 -21.587 6.393 -13.061 316 HG3 GLU 44 2HG GLU 44 -20.093 5.967 -13.894 317 H THR 45 H THR 45 -18.922 4.837 -9.687 318 HA THR 45 HA THR 45 -17.684 6.640 -7.940 319 HB THR 45 HB THR 45 -18.157 3.702 -7.410 320 HG1 THR 45 1HG THR 45 -20.162 4.747 -6.439 321 HG21 THR 45 1HG2 THR 45 -16.784 4.829 -5.725 322 HG22 THR 45 2HG2 THR 45 -18.372 4.421 -5.077 323 HG23 THR 45 3HG2 THR 45 -18.014 6.080 -5.553 324 H THR 46 H THR 46 -15.705 6.686 -6.933 325 HA THR 46 HA THR 46 -13.715 4.678 -7.716 326 HB THR 46 HB THR 46 -12.038 6.576 -7.968 327 HG1 THR 46 1HG THR 46 -13.619 8.152 -7.072 328 HG21 THR 46 1HG2 THR 46 -13.767 7.095 -10.216 329 HG22 THR 46 2HG2 THR 46 -13.774 5.379 -9.808 330 HG23 THR 46 3HG2 THR 46 -12.251 6.197 -10.155 331 H TYR 47 H TYR 47 -12.298 4.139 -6.139 332 HA TYR 47 HA TYR 47 -12.751 5.298 -3.509 333 HB2 TYR 47 1HB TYR 47 -11.137 2.898 -4.392 334 HB3 TYR 47 2HB TYR 47 -11.325 3.410 -2.719 335 HD1 TYR 47 2HD TYR 47 -14.208 4.155 -2.719 336 HD2 TYR 47 1HD TYR 47 -12.205 0.816 -4.434 337 HE1 TYR 47 2HE TYR 47 -16.275 2.833 -2.544 338 HE2 TYR 47 1HE TYR 47 -14.267 -0.515 -4.265 339 HH TYR 47 HH TYR 47 -17.056 0.427 -4.110 340 H ASN 48 H ASN 48 -10.926 5.824 -2.104 341 HA ASN 48 HA ASN 48 -8.774 7.123 -3.629 342 HB2 ASN 48 1HB ASN 48 -10.001 7.733 -0.942 343 HB3 ASN 48 2HB ASN 48 -8.479 8.449 -1.463 344 HD21 ASN 48 1HD2 ASN 48 -11.908 8.322 -1.957 345 HD22 ASN 48 2HD2 ASN 48 -12.022 9.723 -2.961 346 H TYR 49 H TYR 49 -6.656 6.723 -3.190 347 HA TYR 49 HA TYR 49 -6.107 4.611 -1.210 348 HB2 TYR 49 1HB TYR 49 -4.531 5.253 -3.710 349 HB3 TYR 49 2HB TYR 49 -4.239 3.916 -2.604 350 HD1 TYR 49 1HD TYR 49 -5.815 2.014 -2.517 351 HD2 TYR 49 2HD TYR 49 -6.243 5.133 -5.379 352 HE1 TYR 49 1HE TYR 49 -7.318 0.586 -3.839 353 HE2 TYR 49 2HE TYR 49 -7.749 3.713 -6.709 354 HH TYR 49 HH TYR 49 -9.139 1.812 -6.511 355 H GLU 50 H GLU 50 -5.288 5.510 0.567 356 HA GLU 50 HA GLU 50 -3.247 7.612 0.249 357 HB2 GLU 50 1HB GLU 50 -5.136 8.555 1.365 358 HB3 GLU 50 2HB GLU 50 -5.271 7.172 2.441 359 HG2 GLU 50 1HG GLU 50 -2.883 7.875 3.198 360 HG3 GLU 50 2HG GLU 50 -3.327 9.430 2.496 361 H TRP 51 H TRP 51 -1.323 6.645 0.419 362 HA TRP 51 HA TRP 51 -0.938 4.424 2.254 363 HB2 TRP 51 1HB TRP 51 0.886 5.741 0.237 364 HB3 TRP 51 2HB TRP 51 1.387 4.413 1.281 365 HD1 TRP 51 HD TRP 51 -0.860 5.174 -1.726 366 HE1 TRP 51 1HE TRP 51 -1.471 2.953 -2.876 367 HE3 TRP 51 3HE TRP 51 1.102 1.921 1.696 368 HZ2 TRP 51 2HZ TRP 51 -1.162 0.189 -2.396 369 HZ3 TRP 51 3HZ TRP 51 0.902 -0.495 1.276 370 HH2 TRP 51 HH TRP 51 -0.207 -1.341 -0.728 371 H ASN 52 H ASN 52 0.655 4.401 3.902 372 HA ASN 52 HA ASN 52 1.991 6.836 4.660 373 HB2 ASN 52 1HB ASN 52 -0.410 5.835 6.162 374 HB3 ASN 52 2HB ASN 52 0.877 6.690 7.009 375 HD21 ASN 52 1HD2 ASN 52 -1.953 7.000 5.264 376 HD22 ASN 52 2HD2 ASN 52 -1.887 8.699 4.956 377 H LEU 53 H LEU 53 3.781 6.425 5.843 378 HA LEU 53 HA LEU 53 4.419 3.647 6.367 379 HB2 LEU 53 1HB LEU 53 5.984 5.343 5.311 380 HB3 LEU 53 2HB LEU 53 6.149 6.043 6.920 381 HG LEU 53 HG LEU 53 7.198 4.061 7.750 382 HD11 LEU 53 1HD1 LEU 53 7.662 2.160 6.152 383 HD12 LEU 53 2HD1 LEU 53 6.443 2.872 5.095 384 HD13 LEU 53 3HD1 LEU 53 5.996 2.318 6.708 385 HD21 LEU 53 1HD2 LEU 53 8.338 5.733 5.948 386 HD22 LEU 53 2HD2 LEU 53 8.625 4.169 5.184 387 HD23 LEU 53 3HD2 LEU 53 9.204 4.470 6.823 388 H ILE 54 H ILE 54 4.448 2.684 8.303 389 HA ILE 54 HA ILE 54 4.151 4.377 10.697 390 HB ILE 54 HB ILE 54 2.874 2.390 11.671 391 HG12 ILE 54 1HG1 ILE 54 2.901 1.681 8.745 392 HG13 ILE 54 2HG1 ILE 54 3.278 0.655 10.126 393 HG21 ILE 54 1HG2 ILE 54 1.507 3.833 9.410 394 HG22 ILE 54 2HG2 ILE 54 0.784 3.228 10.900 395 HG23 ILE 54 3HG2 ILE 54 1.906 4.588 10.953 396 HD11 ILE 54 1HD1 ILE 54 0.675 1.355 8.933 397 HD12 ILE 54 2HD1 ILE 54 1.221 -0.147 9.679 398 HD13 ILE 54 3HD1 ILE 54 0.730 1.211 10.690 399 H SER 55 H SER 55 5.134 1.163 9.534 400 HA SER 55 HA SER 55 6.920 0.910 11.847 401 HB2 SER 55 1HB SER 55 5.221 -0.924 10.959 402 HB3 SER 55 2HB SER 55 6.558 -1.302 9.872 403 HG SER 55 HG SER 55 6.585 -2.477 11.885 404 H HIS 56 H HIS 56 8.676 2.141 11.300 405 HA HIS 56 HA HIS 56 10.423 1.020 9.272 406 HB2 HIS 56 1HB HIS 56 10.852 3.191 8.198 407 HB3 HIS 56 2HB HIS 56 9.172 2.699 8.006 408 HD1 HIS 56 1HD HIS 56 11.123 5.556 8.830 409 HD2 HIS 56 2HD HIS 56 7.498 4.017 10.155 410 HE1 HIS 56 1HE HIS 56 9.937 7.482 9.930 411 HE2 HIS 56 2HE HIS 56 7.783 6.506 10.799 412 HA PRO 57 HA PRO 57 13.448 1.962 12.322 413 HB2 PRO 57 1HB PRO 57 15.672 1.942 10.766 414 HB3 PRO 57 2HB PRO 57 14.807 0.470 11.224 415 HG2 PRO 57 1HG PRO 57 14.675 2.028 8.671 416 HG3 PRO 57 2HG PRO 57 14.746 0.272 8.908 417 HD2 PRO 57 1HD PRO 57 12.436 1.577 8.369 418 HD3 PRO 57 2HD PRO 57 12.495 0.118 9.379 419 H THR 58 H THR 58 14.360 3.739 13.208 420 HA THR 58 HA THR 58 13.853 6.288 12.215 421 HB THR 58 HB THR 58 14.548 5.500 14.615 422 HG1 THR 58 1HG THR 58 14.093 7.736 13.681 423 HG21 THR 58 1HG2 THR 58 16.773 5.574 15.197 424 HG22 THR 58 2HG2 THR 58 17.204 6.620 13.844 425 HG23 THR 58 3HG2 THR 58 16.890 4.907 13.570 426 H ASP 59 H ASP 59 16.509 4.135 11.614 427 HA ASP 59 HA ASP 59 18.425 5.983 10.718 428 HB2 ASP 59 1HB ASP 59 18.021 3.146 9.751 429 HB3 ASP 59 2HB ASP 59 19.500 4.094 9.629 430 H TYR 60 H TYR 60 15.588 4.662 9.208 431 HA TYR 60 HA TYR 60 16.180 5.103 6.517 432 HB2 TYR 60 1HB TYR 60 14.208 3.849 7.285 433 HB3 TYR 60 2HB TYR 60 13.499 5.338 7.901 434 HD1 TYR 60 1HD TYR 60 15.202 4.538 4.672 435 HD2 TYR 60 2HD TYR 60 11.651 5.853 6.612 436 HE1 TYR 60 1HE TYR 60 14.161 4.942 2.480 437 HE2 TYR 60 2HE TYR 60 10.600 6.259 4.426 438 HH TYR 60 HH TYR 60 11.024 6.492 2.195 439 H GLN 61 H GLN 61 15.652 6.810 5.097 440 HA GLN 61 HA GLN 61 15.134 9.411 6.360 441 HB2 GLN 61 1HB GLN 61 17.320 8.767 4.380 442 HB3 GLN 61 2HB GLN 61 16.805 10.407 4.755 443 HG2 GLN 61 1HG GLN 61 17.332 9.861 7.174 444 HG3 GLN 61 2HG GLN 61 18.138 8.418 6.561 445 HE21 GLN 61 1HE2 GLN 61 19.307 10.618 7.994 446 HE22 GLN 61 2HE2 GLN 61 20.505 11.310 6.961 447 H GLY 62 H GLY 62 15.047 7.391 3.489 448 HA2 GLY 62 1HA GLY 62 14.102 8.953 1.510 449 HA3 GLY 62 2HA GLY 62 13.440 7.354 1.820 450 H GLU 63 H GLU 63 11.978 9.497 0.706 451 HA GLU 63 HA GLU 63 9.976 9.890 2.825 452 HB2 GLU 63 1HB GLU 63 9.531 12.116 2.112 453 HB3 GLU 63 2HB GLU 63 11.273 11.987 2.308 454 HG2 GLU 63 1HG GLU 63 11.331 11.507 -0.204 455 HG3 GLU 63 2HG GLU 63 9.678 12.117 -0.222 456 H ILE 64 H ILE 64 7.989 9.233 2.307 457 HA ILE 64 HA ILE 64 7.501 8.334 -0.430 458 HB ILE 64 HB ILE 64 5.681 7.913 1.932 459 HG12 ILE 64 1HG1 ILE 64 7.604 5.806 1.051 460 HG13 ILE 64 2HG1 ILE 64 8.200 7.097 2.089 461 HG21 ILE 64 1HG2 ILE 64 5.154 5.831 0.538 462 HG22 ILE 64 2HG2 ILE 64 4.553 7.383 -0.043 463 HG23 ILE 64 3HG2 ILE 64 5.986 6.662 -0.776 464 HD11 ILE 64 1HD1 ILE 64 5.772 5.495 2.802 465 HD12 ILE 64 2HD1 ILE 64 7.404 4.958 3.204 466 HD13 ILE 64 3HD1 ILE 64 6.793 6.482 3.847 467 H LYS 65 H LYS 65 5.247 8.646 -1.284 468 HA LYS 65 HA LYS 65 4.339 11.387 -0.697 469 HB2 LYS 65 1HB LYS 65 4.080 9.853 -3.290 470 HB3 LYS 65 2HB LYS 65 3.575 11.514 -3.013 471 HG2 LYS 65 1HG LYS 65 5.580 11.851 -4.048 472 HG3 LYS 65 2HG LYS 65 6.092 11.842 -2.359 473 HD2 LYS 65 1HD LYS 65 6.753 9.512 -2.546 474 HD3 LYS 65 2HD LYS 65 6.171 9.460 -4.212 475 HE2 LYS 65 1HE LYS 65 7.815 11.361 -4.660 476 HE3 LYS 65 2HE LYS 65 8.520 10.966 -3.093 477 HZ1 LYS 65 1HZ LYS 65 9.378 9.870 -5.308 478 HZ2 LYS 65 2HZ LYS 65 8.121 8.782 -4.997 479 HZ3 LYS 65 3HZ LYS 65 9.346 9.007 -3.853 480 H GLN 66 H GLN 66 3.494 8.834 0.565 481 HA GLN 66 HA GLN 66 1.598 7.747 1.206 482 HB2 GLN 66 1HB GLN 66 0.457 10.441 0.461 483 HB3 GLN 66 2HB GLN 66 -0.464 9.190 1.285 484 HG2 GLN 66 1HG GLN 66 0.659 9.457 3.250 485 HG3 GLN 66 2HG GLN 66 2.130 10.023 2.461 486 HE21 GLN 66 1HE2 GLN 66 2.502 11.934 3.373 487 HE22 GLN 66 2HE2 GLN 66 1.380 13.246 3.435 488 H GLY 67 H GLY 67 2.418 7.633 -1.665 489 HA2 GLY 67 1HA GLY 67 1.520 7.094 -3.749 490 HA3 GLY 67 2HA GLY 67 0.765 5.857 -2.755 491 H HIS 68 H HIS 68 0.328 9.139 -4.008 492 HA HIS 68 HA HIS 68 -2.335 9.508 -3.268 493 HB2 HIS 68 1HB HIS 68 -0.618 10.611 -5.461 494 HB3 HIS 68 2HB HIS 68 -2.340 10.978 -5.442 495 HD1 HIS 68 1HD HIS 68 -0.392 10.730 -2.252 496 HD2 HIS 68 2HD HIS 68 -1.925 13.653 -4.775 497 HE1 HIS 68 1HE HIS 68 -0.184 12.890 -0.982 498 HE2 HIS 68 2HE HIS 68 -1.195 14.632 -2.494 499 H LYS 69 H LYS 69 -1.028 7.268 -5.416 500 HA LYS 69 HA LYS 69 -3.607 6.932 -6.797 501 HB2 LYS 69 1HB LYS 69 -0.782 6.336 -7.598 502 HB3 LYS 69 2HB LYS 69 -2.101 5.421 -8.316 503 HG2 LYS 69 1HG LYS 69 -2.925 7.233 -9.453 504 HG3 LYS 69 2HG LYS 69 -2.247 8.395 -8.311 505 HD2 LYS 69 1HD LYS 69 -0.459 6.698 -10.016 506 HD3 LYS 69 2HD LYS 69 -1.180 8.176 -10.657 507 HE2 LYS 69 1HE LYS 69 0.546 7.970 -8.191 508 HE3 LYS 69 2HE LYS 69 1.059 8.585 -9.762 509 HZ1 LYS 69 1HZ LYS 69 0.538 10.430 -8.380 510 HZ2 LYS 69 2HZ LYS 69 -0.960 9.777 -7.943 511 HZ3 LYS 69 3HZ LYS 69 -0.699 10.307 -9.529 512 H GLN 70 H GLN 70 -3.579 4.408 -7.614 513 HA GLN 70 HA GLN 70 -4.094 2.938 -5.223 514 HB2 GLN 70 1HB GLN 70 -5.512 2.500 -7.079 515 HB3 GLN 70 2HB GLN 70 -4.145 2.205 -8.145 516 HG2 GLN 70 1HG GLN 70 -3.613 0.230 -6.613 517 HG3 GLN 70 2HG GLN 70 -5.243 0.453 -5.979 518 HE21 GLN 70 1HE2 GLN 70 -5.913 -1.548 -6.742 519 HE22 GLN 70 2HE2 GLN 70 -6.197 -1.847 -8.420 520 H THR 71 H THR 71 -1.408 3.224 -7.385 521 HA THR 71 HA THR 71 -0.059 0.985 -6.024 522 HB THR 71 HB THR 71 1.582 1.361 -8.075 523 HG1 THR 71 1HG THR 71 0.170 3.140 -8.824 524 HG21 THR 71 1HG2 THR 71 -0.882 -0.034 -8.914 525 HG22 THR 71 2HG2 THR 71 -0.182 -0.558 -7.382 526 HG23 THR 71 3HG2 THR 71 0.783 -0.610 -8.857 527 H LEU 72 H LEU 72 1.907 1.300 -5.063 528 HA LEU 72 HA LEU 72 2.969 4.048 -5.078 529 HB2 LEU 72 1HB LEU 72 1.854 3.665 -2.978 530 HB3 LEU 72 2HB LEU 72 2.720 2.147 -2.753 531 HG LEU 72 HG LEU 72 4.831 3.441 -2.561 532 HD11 LEU 72 1HD1 LEU 72 3.687 5.441 -3.807 533 HD12 LEU 72 2HD1 LEU 72 4.929 5.731 -2.589 534 HD13 LEU 72 3HD1 LEU 72 3.225 5.920 -2.174 535 HD21 LEU 72 1HD2 LEU 72 3.066 4.629 -0.509 536 HD22 LEU 72 2HD2 LEU 72 4.556 3.702 -0.330 537 HD23 LEU 72 3HD2 LEU 72 3.034 2.872 -0.661 538 H ASN 73 H ASN 73 5.010 4.191 -5.722 539 HA ASN 73 HA ASN 73 6.659 1.754 -5.693 540 HB2 ASN 73 1HB ASN 73 6.395 4.021 -7.595 541 HB3 ASN 73 2HB ASN 73 8.010 3.353 -7.376 542 HD21 ASN 73 1HD2 ASN 73 4.708 2.071 -7.647 543 HD22 ASN 73 2HD2 ASN 73 5.090 0.877 -8.835 544 H LEU 74 H LEU 74 8.603 1.735 -4.690 545 HA LEU 74 HA LEU 74 9.328 4.148 -3.181 546 HB2 LEU 74 1HB LEU 74 9.576 1.236 -2.685 547 HB3 LEU 74 2HB LEU 74 10.850 2.275 -2.049 548 HG LEU 74 HG LEU 74 9.192 1.828 -0.343 549 HD11 LEU 74 1HD1 LEU 74 8.347 4.527 -0.631 550 HD12 LEU 74 2HD1 LEU 74 10.009 4.395 -1.206 551 HD13 LEU 74 3HD1 LEU 74 9.596 3.865 0.424 552 HD21 LEU 74 1HD2 LEU 74 7.171 3.206 -2.098 553 HD22 LEU 74 2HD2 LEU 74 6.897 2.412 -0.548 554 HD23 LEU 74 3HD2 LEU 74 7.313 1.453 -1.969 555 H SER 75 H SER 75 11.493 4.842 -3.083 556 HA SER 75 HA SER 75 13.405 3.619 -4.914 557 HB2 SER 75 1HB SER 75 13.788 5.550 -6.215 558 HB3 SER 75 2HB SER 75 12.031 5.433 -6.116 559 HG SER 75 HG SER 75 11.973 7.212 -4.977 560 H GLN 76 H GLN 76 15.573 4.170 -4.495 561 HA GLN 76 HA GLN 76 17.356 4.630 -3.160 562 HB2 GLN 76 1HB GLN 76 15.562 6.972 -2.599 563 HB3 GLN 76 2HB GLN 76 17.097 6.796 -1.760 564 HG2 GLN 76 1HG GLN 76 18.051 6.515 -4.173 565 HG3 GLN 76 2HG GLN 76 16.561 7.334 -4.639 566 HE21 GLN 76 1HE2 GLN 76 19.414 7.601 -2.591 567 HE22 GLN 76 2HE2 GLN 76 19.470 9.327 -2.582 568 H LEU 77 H LEU 77 15.247 2.866 -2.182 569 HA LEU 77 HA LEU 77 14.773 3.310 0.571 570 HB2 LEU 77 1HB LEU 77 14.644 0.900 -1.205 571 HB3 LEU 77 2HB LEU 77 14.385 0.759 0.533 572 HG LEU 77 HG LEU 77 12.742 2.480 -1.324 573 HD11 LEU 77 1HD1 LEU 77 12.207 0.286 -1.919 574 HD12 LEU 77 2HD1 LEU 77 10.982 0.722 -0.728 575 HD13 LEU 77 3HD1 LEU 77 12.344 -0.296 -0.259 576 HD21 LEU 77 1HD2 LEU 77 12.400 3.487 0.688 577 HD22 LEU 77 2HD2 LEU 77 12.794 2.036 1.610 578 HD23 LEU 77 3HD2 LEU 77 11.219 2.184 0.828 579 H SER 78 H SER 78 15.559 1.768 2.290 580 HA SER 78 HA SER 78 18.391 1.075 1.897 581 HB2 SER 78 1HB SER 78 17.815 3.267 3.252 582 HB3 SER 78 2HB SER 78 17.480 2.120 4.549 583 HG SER 78 HG SER 78 19.694 1.265 3.787 584 H VAL 79 H VAL 79 19.208 -0.540 3.383 585 HA VAL 79 HA VAL 79 17.547 -2.768 3.630 586 HB VAL 79 HB VAL 79 19.878 -3.162 3.575 587 HG11 VAL 79 1HG1 VAL 79 20.647 -2.063 6.156 588 HG12 VAL 79 2HG1 VAL 79 21.426 -1.906 4.581 589 HG13 VAL 79 3HG1 VAL 79 20.100 -0.829 5.022 590 HG21 VAL 79 1HG2 VAL 79 19.712 -3.794 6.413 591 HG22 VAL 79 2HG2 VAL 79 18.269 -4.267 5.515 592 HG23 VAL 79 3HG2 VAL 79 19.852 -4.867 5.021 593 H GLY 80 H GLY 80 15.761 -2.814 4.846 594 HA2 GLY 80 1HA GLY 80 15.820 -2.932 7.623 595 HA3 GLY 80 2HA GLY 80 15.393 -1.279 7.203 596 H LEU 81 H LEU 81 13.491 -2.248 8.556 597 HA LEU 81 HA LEU 81 11.603 -3.687 6.850 598 HB2 LEU 81 1HB LEU 81 11.904 -4.496 9.125 599 HB3 LEU 81 2HB LEU 81 11.458 -2.914 9.761 600 HG LEU 81 HG LEU 81 9.194 -3.280 8.659 601 HD11 LEU 81 1HD1 LEU 81 8.537 -5.462 8.055 602 HD12 LEU 81 2HD1 LEU 81 10.026 -6.168 8.682 603 HD13 LEU 81 3HD1 LEU 81 10.067 -5.173 7.227 604 HD21 LEU 81 1HD2 LEU 81 8.356 -4.203 10.594 605 HD22 LEU 81 2HD2 LEU 81 9.937 -3.640 11.137 606 HD23 LEU 81 3HD2 LEU 81 9.690 -5.345 10.756 607 H TYR 82 H TYR 82 9.737 -2.822 6.086 608 HA TYR 82 HA TYR 82 8.958 -0.136 6.932 609 HB2 TYR 82 1HB TYR 82 9.277 -0.841 4.012 610 HB3 TYR 82 2HB TYR 82 8.856 0.728 4.691 611 HD1 TYR 82 2HD TYR 82 10.603 1.938 6.084 612 HD2 TYR 82 1HD TYR 82 11.523 -1.440 3.666 613 HE1 TYR 82 2HE TYR 82 12.982 2.562 6.128 614 HE2 TYR 82 1HE TYR 82 13.904 -0.827 3.705 615 HH TYR 82 HH TYR 82 15.112 1.831 4.203 616 H VAL 83 H VAL 83 6.884 -0.228 7.445 617 HA VAL 83 HA VAL 83 5.148 -2.116 5.995 618 HB VAL 83 HB VAL 83 4.853 -0.994 8.783 619 HG11 VAL 83 1HG1 VAL 83 2.911 -2.597 8.899 620 HG12 VAL 83 2HG1 VAL 83 2.662 -1.167 7.895 621 HG13 VAL 83 3HG1 VAL 83 3.016 -2.724 7.144 622 HG21 VAL 83 1HG2 VAL 83 5.144 -3.875 7.983 623 HG22 VAL 83 2HG2 VAL 83 6.538 -2.852 8.327 624 HG23 VAL 83 3HG2 VAL 83 5.335 -3.153 9.581 625 H PHE 84 H PHE 84 4.103 -1.048 4.436 626 HA PHE 84 HA PHE 84 3.200 1.690 4.903 627 HB2 PHE 84 1HB PHE 84 2.901 0.128 2.343 628 HB3 PHE 84 2HB PHE 84 2.908 1.875 2.558 629 HD1 PHE 84 1HD PHE 84 4.960 -1.139 2.331 630 HD2 PHE 84 2HD PHE 84 4.979 3.089 2.824 631 HE1 PHE 84 1HE PHE 84 7.374 -1.097 1.854 632 HE2 PHE 84 2HE PHE 84 7.392 3.138 2.346 633 HZ PHE 84 HZ PHE 84 8.592 1.043 1.860 634 H LYS 85 H LYS 85 1.177 2.159 5.438 635 HA LYS 85 HA LYS 85 -0.866 0.059 5.150 636 HB2 LYS 85 1HB LYS 85 -0.683 0.559 7.436 637 HB3 LYS 85 2HB LYS 85 -0.498 2.282 7.139 638 HG2 LYS 85 1HG LYS 85 -2.851 2.383 6.417 639 HG3 LYS 85 2HG LYS 85 -3.020 0.670 6.808 640 HD2 LYS 85 1HD LYS 85 -3.830 1.710 8.717 641 HD3 LYS 85 2HD LYS 85 -2.152 1.368 9.147 642 HE2 LYS 85 1HE LYS 85 -2.767 3.976 7.859 643 HE3 LYS 85 2HE LYS 85 -3.245 3.750 9.540 644 HZ1 LYS 85 1HZ LYS 85 -0.770 4.485 8.645 645 HZ2 LYS 85 2HZ LYS 85 -0.578 2.855 9.056 646 HZ3 LYS 85 3HZ LYS 85 -1.150 3.955 10.207 647 H VAL 86 H VAL 86 -2.141 0.362 3.451 648 HA VAL 86 HA VAL 86 -2.630 3.058 2.449 649 HB VAL 86 HB VAL 86 -2.041 1.471 0.755 650 HG11 VAL 86 1HG1 VAL 86 -3.687 -0.303 2.315 651 HG12 VAL 86 2HG1 VAL 86 -4.155 -0.348 0.614 652 HG13 VAL 86 3HG1 VAL 86 -2.487 -0.682 1.080 653 HG21 VAL 86 1HG2 VAL 86 -3.754 1.852 -0.781 654 HG22 VAL 86 2HG2 VAL 86 -5.013 1.733 0.448 655 HG23 VAL 86 3HG2 VAL 86 -3.960 3.147 0.398 656 H THR 87 H THR 87 -4.216 4.098 3.484 657 HA THR 87 HA THR 87 -6.563 2.650 4.422 658 HB THR 87 HB THR 87 -6.014 5.607 4.697 659 HG1 THR 87 1HG THR 87 -4.589 3.675 5.729 660 HG21 THR 87 1HG2 THR 87 -7.469 4.218 6.809 661 HG22 THR 87 2HG2 THR 87 -8.281 4.138 5.246 662 HG23 THR 87 3HG2 THR 87 -7.871 5.703 5.947 663 H VAL 88 H VAL 88 -8.250 2.387 3.127 664 HA VAL 88 HA VAL 88 -8.924 4.541 1.233 665 HB VAL 88 HB VAL 88 -9.091 1.565 0.750 666 HG11 VAL 88 1HG1 VAL 88 -11.029 2.380 -0.256 667 HG12 VAL 88 2HG1 VAL 88 -10.256 3.889 -0.745 668 HG13 VAL 88 3HG1 VAL 88 -9.851 2.381 -1.568 669 HG21 VAL 88 1HG2 VAL 88 -7.765 2.908 -1.332 670 HG22 VAL 88 2HG2 VAL 88 -7.105 3.552 0.171 671 HG23 VAL 88 3HG2 VAL 88 -7.068 1.816 -0.135 672 H SER 89 H SER 89 -10.843 5.395 1.642 673 HA SER 89 HA SER 89 -13.019 3.668 2.570 674 HB2 SER 89 1HB SER 89 -13.642 5.133 4.354 675 HB3 SER 89 2HB SER 89 -11.916 4.821 4.538 676 HG SER 89 HG SER 89 -11.467 6.840 3.953 677 H SER 90 H SER 90 -15.130 4.505 2.165 678 HA SER 90 HA SER 90 -15.187 6.688 0.186 679 HB2 SER 90 1HB SER 90 -15.538 4.366 -0.770 680 HB3 SER 90 2HB SER 90 -17.033 4.295 0.162 681 HG SER 90 HG SER 90 -17.937 5.714 -1.146 682 H GLU 91 H GLU 91 -17.503 7.539 -0.094 683 HA GLU 91 HA GLU 91 -18.343 8.832 2.159 684 HB2 GLU 91 1HB GLU 91 -20.430 9.296 1.013 685 HB3 GLU 91 2HB GLU 91 -19.096 9.374 -0.129 686 HG2 GLU 91 1HG GLU 91 -19.724 6.891 -0.602 687 HG3 GLU 91 2HG GLU 91 -21.271 7.352 0.108 688 H ASN 92 H ASN 92 -19.430 5.683 0.978 689 HA ASN 92 HA ASN 92 -20.716 5.241 3.591 690 HB2 ASN 92 1HB ASN 92 -22.341 3.753 2.379 691 HB3 ASN 92 2HB ASN 92 -22.492 5.465 1.992 692 HD21 ASN 92 1HD2 ASN 92 -22.875 2.688 0.611 693 HD22 ASN 92 2HD2 ASN 92 -22.242 2.975 -0.971 694 H ALA 93 H ALA 93 -18.017 4.614 2.844 695 HA ALA 93 HA ALA 93 -18.047 1.790 3.487 696 HB1 ALA 93 1HB ALA 93 -16.832 0.997 1.652 697 HB2 ALA 93 2HB ALA 93 -18.074 2.029 0.942 698 HB3 ALA 93 3HB ALA 93 -16.422 2.623 1.106 699 H PHE 94 H PHE 94 -15.765 0.981 3.856 700 HA PHE 94 HA PHE 94 -13.695 2.898 4.312 701 HB2 PHE 94 1HB PHE 94 -14.854 3.535 6.264 702 HB3 PHE 94 2HB PHE 94 -15.309 1.876 6.638 703 HD1 PHE 94 1HD PHE 94 -11.966 3.216 5.740 704 HD2 PHE 94 2HD PHE 94 -14.440 1.529 8.765 705 HE1 PHE 94 1HE PHE 94 -10.013 3.020 7.223 706 HE2 PHE 94 2HE PHE 94 -12.491 1.330 10.253 707 HZ PHE 94 HZ PHE 94 -10.274 2.077 9.484 708 H GLY 95 H GLY 95 -11.782 1.897 4.188 709 HA2 GLY 95 1HA GLY 95 -11.482 -0.842 5.123 710 HA3 GLY 95 2HA GLY 95 -11.295 -0.604 3.392 711 H GLU 96 H GLU 96 -9.265 -1.608 5.051 712 HA GLU 96 HA GLU 96 -7.190 0.326 4.476 713 HB2 GLU 96 1HB GLU 96 -7.679 -0.661 7.290 714 HB3 GLU 96 2HB GLU 96 -6.228 0.183 6.769 715 HG2 GLU 96 1HG GLU 96 -7.883 2.024 6.000 716 HG3 GLU 96 2HG GLU 96 -9.003 1.226 7.102 717 H GLY 97 H GLY 97 -5.121 -0.589 4.320 718 HA2 GLY 97 1HA GLY 97 -5.012 -3.523 4.623 719 HA3 GLY 97 2HA GLY 97 -4.452 -2.745 3.150 720 H PHE 98 H PHE 98 -2.770 -4.384 4.553 721 HA PHE 98 HA PHE 98 -0.725 -2.476 5.399 722 HB2 PHE 98 1HB PHE 98 -1.576 -4.879 7.025 723 HB3 PHE 98 2HB PHE 98 -0.112 -3.948 7.323 724 HD1 PHE 98 2HD PHE 98 -3.802 -3.571 7.057 725 HD2 PHE 98 1HD PHE 98 -0.173 -2.136 8.756 726 HE1 PHE 98 2HE PHE 98 -5.083 -2.023 8.477 727 HE2 PHE 98 1HE PHE 98 -1.449 -0.585 10.179 728 HZ PHE 98 HZ PHE 98 -3.907 -0.527 10.039 729 H VAL 99 H VAL 99 1.231 -2.946 4.599 730 HA VAL 99 HA VAL 99 1.808 -5.688 3.739 731 HB VAL 99 HB VAL 99 0.957 -4.315 1.790 732 HG11 VAL 99 1HG1 VAL 99 1.952 -2.185 2.335 733 HG12 VAL 99 2HG1 VAL 99 3.572 -2.878 2.234 734 HG13 VAL 99 3HG1 VAL 99 2.578 -2.741 0.783 735 HG21 VAL 99 1HG2 VAL 99 2.040 -5.917 0.697 736 HG22 VAL 99 2HG2 VAL 99 3.475 -4.893 0.683 737 HG23 VAL 99 3HG2 VAL 99 3.231 -6.050 1.991 738 H ASN 100 H ASN 100 3.871 -6.317 4.079 739 HA ASN 100 HA ASN 100 5.683 -4.330 5.254 740 HB2 ASN 100 1HB ASN 100 5.869 -7.347 5.379 741 HB3 ASN 100 2HB ASN 100 6.831 -6.193 6.297 742 HD21 ASN 100 1HD2 ASN 100 6.141 -7.174 8.223 743 HD22 ASN 100 2HD2 ASN 100 4.563 -6.883 8.864 744 H VAL 101 H VAL 101 7.858 -4.203 4.616 745 HA VAL 101 HA VAL 101 8.637 -5.659 2.199 746 HB VAL 101 HB VAL 101 8.784 -2.651 2.444 747 HG11 VAL 101 1HG1 VAL 101 9.467 -4.146 -0.042 748 HG12 VAL 101 2HG1 VAL 101 10.027 -2.568 0.516 749 HG13 VAL 101 3HG1 VAL 101 10.663 -4.041 1.249 750 HG21 VAL 101 1HG2 VAL 101 7.110 -4.457 0.708 751 HG22 VAL 101 2HG2 VAL 101 6.547 -3.297 1.911 752 HG23 VAL 101 3HG2 VAL 101 7.304 -2.727 0.424 753 H THR 102 H THR 102 10.482 -6.625 2.702 754 HA THR 102 HA THR 102 12.326 -5.317 4.573 755 HB THR 102 HB THR 102 12.360 -8.181 3.604 756 HG1 THR 102 1HG THR 102 11.148 -8.660 5.320 757 HG21 THR 102 1HG2 THR 102 14.110 -6.567 5.337 758 HG22 THR 102 2HG2 THR 102 14.463 -8.028 4.415 759 HG23 THR 102 3HG2 THR 102 13.661 -8.145 5.981 760 H VAL 103 H VAL 103 14.311 -4.655 3.978 761 HA VAL 103 HA VAL 103 15.125 -5.159 1.190 762 HB VAL 103 HB VAL 103 15.729 -2.780 2.950 763 HG11 VAL 103 1HG1 VAL 103 16.524 -3.092 0.071 764 HG12 VAL 103 2HG1 VAL 103 17.073 -1.892 1.242 765 HG13 VAL 103 3HG1 VAL 103 17.588 -3.573 1.392 766 HG21 VAL 103 1HG2 VAL 103 14.089 -3.057 0.434 767 HG22 VAL 103 2HG2 VAL 103 13.476 -2.745 2.058 768 HG23 VAL 103 3HG2 VAL 103 14.463 -1.534 1.241 769 H LYS 104 H LYS 104 16.695 -6.619 1.092 770 HA LYS 104 HA LYS 104 18.466 -7.102 3.313 771 HB2 LYS 104 1HB LYS 104 18.504 -8.277 0.527 772 HB3 LYS 104 2HB LYS 104 19.398 -8.879 1.917 773 HG2 LYS 104 1HG LYS 104 16.419 -8.672 2.019 774 HG3 LYS 104 2HG LYS 104 17.197 -10.038 1.218 775 HD2 LYS 104 1HD LYS 104 18.322 -10.666 3.235 776 HD3 LYS 104 2HD LYS 104 17.796 -9.190 4.048 777 HE2 LYS 104 1HE LYS 104 15.591 -9.924 4.213 778 HE3 LYS 104 2HE LYS 104 15.798 -11.132 2.946 779 HZ1 LYS 104 1HZ LYS 104 16.562 -11.254 5.773 780 HZ2 LYS 104 2HZ LYS 104 17.502 -12.103 4.652 781 HZ3 LYS 104 3HZ LYS 104 15.850 -12.439 4.797 782 HA PRO 105 HA PRO 105 21.803 -4.497 2.132 783 HB2 PRO 105 1HB PRO 105 23.895 -5.905 3.138 784 HB3 PRO 105 2HB PRO 105 22.752 -5.022 4.157 785 HG2 PRO 105 1HG PRO 105 22.844 -7.942 3.506 786 HG3 PRO 105 2HG PRO 105 22.542 -7.153 5.065 787 HD2 PRO 105 1HD PRO 105 20.549 -8.143 3.523 788 HD3 PRO 105 2HD PRO 105 20.336 -6.717 4.559 789 H ALA 106 H ALA 106 23.413 -4.258 0.590 790 HA ALA 106 HA ALA 106 23.315 -5.839 -1.691 791 HB1 ALA 106 1HB ALA 106 24.312 -3.983 -2.401 792 HB2 ALA 106 2HB ALA 106 24.840 -3.563 -0.771 793 HB3 ALA 106 3HB ALA 106 25.820 -4.641 -1.765 794 H ARG 107 H ARG 107 23.650 -8.002 -1.425 795 HA ARG 107 HA ARG 107 25.677 -9.155 0.154 796 HB2 ARG 107 1HB ARG 107 24.116 -10.256 -2.186 797 HB3 ARG 107 2HB ARG 107 25.201 -11.222 -1.195 798 HG2 ARG 107 1HG ARG 107 23.743 -10.341 0.774 799 HG3 ARG 107 2HG ARG 107 22.562 -10.024 -0.499 800 HD2 ARG 107 1HD ARG 107 22.189 -12.214 0.485 801 HD3 ARG 107 2HD ARG 107 22.697 -12.369 -1.197 802 HE ARG 107 HE ARG 107 25.019 -12.586 0.174 803 HH11 ARG 107 2HH1 ARG 107 21.936 -14.187 0.415 804 HH12 ARG 107 1HH1 ARG 107 22.607 -15.674 0.999 805 HH21 ARG 107 2HH2 ARG 107 25.914 -14.538 0.942 806 HH22 ARG 107 1HH2 ARG 107 24.870 -15.872 1.299 807 H SER 108 H SER 108 27.789 -9.335 -0.175 808 HA SER 108 HA SER 108 28.809 -9.224 -2.934 809 HB2 SER 108 1HB SER 108 29.762 -7.675 -0.529 810 HB3 SER 108 2HB SER 108 30.810 -7.970 -1.917 811 HG SER 108 HG SER 108 29.555 -5.958 -1.937 812 H GLY 109 H GLY 109 30.344 -10.690 -3.437 813 HA2 GLY 109 1HA GLY 109 32.144 -11.865 -1.616 814 HA3 GLY 109 2HA GLY 109 30.760 -12.931 -1.812 815 HA PRO 110 HA PRO 110 33.972 -13.205 -5.372 816 HB2 PRO 110 1HB PRO 110 35.525 -15.241 -4.470 817 HB3 PRO 110 2HB PRO 110 35.898 -13.540 -4.164 818 HG2 PRO 110 1HG PRO 110 34.580 -15.542 -2.371 819 HG3 PRO 110 2HG PRO 110 35.821 -14.337 -1.981 820 HD2 PRO 110 1HD PRO 110 33.199 -13.963 -1.419 821 HD3 PRO 110 2HD PRO 110 34.288 -12.622 -1.832 822 H SER 111 H SER 111 32.548 -14.115 -6.763 823 HA SER 111 HA SER 111 31.177 -16.565 -6.212 824 HB2 SER 111 1HB SER 111 30.346 -16.350 -8.536 825 HB3 SER 111 2HB SER 111 30.140 -14.859 -7.617 826 HG SER 111 HG SER 111 32.408 -14.481 -8.647 827 H SER 112 H SER 112 31.904 -18.561 -6.486 828 HA SER 112 HA SER 112 34.466 -19.026 -7.719 829 HB2 SER 112 1HB SER 112 33.674 -20.206 -5.641 830 HB3 SER 112 2HB SER 112 32.520 -21.080 -6.648 831 HG SER 112 HG SER 112 34.657 -21.493 -7.910 832 H GLY 113 H GLY 113 34.888 -19.902 -9.671 833 HA2 GLY 113 1HA GLY 113 33.525 -21.627 -11.223 834 HA3 GLY 113 2HA GLY 113 32.684 -20.117 -11.540 Start of MODEL 17 1 H1 GLY 1 H GLY 1 -26.938 15.023 26.657 2 HA2 GLY 1 1HA GLY 1 -28.409 12.943 25.946 3 HA3 GLY 1 2HA GLY 1 -28.969 14.569 25.585 4 H SER 2 H SER 2 -30.103 13.224 23.884 5 HA SER 2 HA SER 2 -28.391 12.573 21.606 6 HB2 SER 2 1HB SER 2 -30.495 11.629 20.629 7 HB3 SER 2 2HB SER 2 -30.033 10.888 22.161 8 HG SER 2 HG SER 2 -31.615 12.059 23.190 9 H SER 3 H SER 3 -31.177 14.608 22.426 10 HA SER 3 HA SER 3 -32.232 16.257 21.203 11 HB2 SER 3 1HB SER 3 -29.331 16.973 21.430 12 HB3 SER 3 2HB SER 3 -30.414 18.037 20.533 13 HG SER 3 HG SER 3 -30.380 17.410 23.261 14 H GLY 4 H GLY 4 -31.895 14.037 19.567 15 HA2 GLY 4 1HA GLY 4 -32.604 14.378 17.165 16 HA3 GLY 4 2HA GLY 4 -31.080 15.236 16.994 17 H SER 5 H SER 5 -29.806 14.024 15.755 18 HA SER 5 HA SER 5 -28.737 12.213 14.867 19 HB2 SER 5 1HB SER 5 -27.774 12.507 17.265 20 HB3 SER 5 2HB SER 5 -28.681 11.041 17.636 21 HG SER 5 HG SER 5 -26.609 10.478 16.990 22 H SER 6 H SER 6 -31.313 11.929 14.336 23 HA SER 6 HA SER 6 -32.163 9.274 15.226 24 HB2 SER 6 1HB SER 6 -33.603 11.440 13.682 25 HB3 SER 6 2HB SER 6 -34.297 9.857 14.031 26 HG SER 6 HG SER 6 -34.858 10.674 15.872 27 H GLY 7 H GLY 7 -32.098 7.519 13.957 28 HA2 GLY 7 1HA GLY 7 -32.215 6.360 11.894 29 HA3 GLY 7 2HA GLY 7 -31.796 7.850 11.062 30 HA PRO 8 HA PRO 8 -27.726 5.922 12.898 31 HB2 PRO 8 1HB PRO 8 -27.884 3.275 13.481 32 HB3 PRO 8 2HB PRO 8 -28.208 4.542 14.670 33 HG2 PRO 8 1HG PRO 8 -30.139 2.923 13.054 34 HG3 PRO 8 2HG PRO 8 -30.215 3.372 14.768 35 HD2 PRO 8 1HD PRO 8 -31.629 4.670 12.858 36 HD3 PRO 8 2HD PRO 8 -31.011 5.486 14.309 37 H ARG 9 H ARG 9 -26.435 5.712 11.189 38 HA ARG 9 HA ARG 9 -27.052 3.626 9.203 39 HB2 ARG 9 1HB ARG 9 -27.462 6.059 8.491 40 HB3 ARG 9 2HB ARG 9 -25.712 6.231 8.511 41 HG2 ARG 9 1HG ARG 9 -25.418 4.910 6.673 42 HG3 ARG 9 2HG ARG 9 -26.886 3.977 6.973 43 HD2 ARG 9 1HD ARG 9 -27.133 6.870 6.305 44 HD3 ARG 9 2HD ARG 9 -26.755 5.731 5.012 45 HE ARG 9 HE ARG 9 -28.890 4.616 6.284 46 HH11 ARG 9 2HH1 ARG 9 -28.254 7.711 4.824 47 HH12 ARG 9 1HH1 ARG 9 -29.902 7.980 4.364 48 HH21 ARG 9 2HH2 ARG 9 -31.064 4.957 5.684 49 HH22 ARG 9 1HH2 ARG 9 -31.500 6.413 4.854 50 H THR 10 H THR 10 -25.316 2.524 8.299 51 HA THR 10 HA THR 10 -22.699 3.012 9.566 52 HB THR 10 HB THR 10 -22.328 0.513 9.336 53 HG1 THR 10 1HG THR 10 -25.102 0.678 8.767 54 HG21 THR 10 1HG2 THR 10 -24.241 0.199 11.276 55 HG22 THR 10 2HG2 THR 10 -23.976 1.943 11.285 56 HG23 THR 10 3HG2 THR 10 -22.621 0.843 11.538 57 H VAL 11 H VAL 11 -20.878 1.949 8.321 58 HA VAL 11 HA VAL 11 -21.256 2.524 5.468 59 HB VAL 11 HB VAL 11 -18.825 2.720 5.334 60 HG11 VAL 11 1HG1 VAL 11 -18.571 4.667 6.970 61 HG12 VAL 11 2HG1 VAL 11 -19.877 4.765 5.786 62 HG13 VAL 11 3HG1 VAL 11 -20.230 4.314 7.455 63 HG21 VAL 11 1HG2 VAL 11 -18.859 2.115 8.290 64 HG22 VAL 11 2HG2 VAL 11 -18.217 1.071 7.021 65 HG23 VAL 11 3HG2 VAL 11 -17.447 2.621 7.361 66 H LYS 12 H LYS 12 -19.719 1.200 4.018 67 HA LYS 12 HA LYS 12 -20.275 -1.614 4.550 68 HB2 LYS 12 1HB LYS 12 -19.637 -0.006 2.114 69 HB3 LYS 12 2HB LYS 12 -19.288 -1.730 2.101 70 HG2 LYS 12 1HG LYS 12 -21.705 -2.060 2.829 71 HG3 LYS 12 2HG LYS 12 -21.943 -0.365 2.395 72 HD2 LYS 12 1HD LYS 12 -22.542 -1.493 0.453 73 HD3 LYS 12 2HD LYS 12 -20.866 -1.034 0.142 74 HE2 LYS 12 1HE LYS 12 -20.395 -3.393 1.236 75 HE3 LYS 12 2HE LYS 12 -22.040 -3.713 0.690 76 HZ1 LYS 12 1HZ LYS 12 -21.119 -4.191 -1.261 77 HZ2 LYS 12 2HZ LYS 12 -19.626 -3.523 -0.832 78 HZ3 LYS 12 3HZ LYS 12 -20.847 -2.533 -1.456 79 H GLU 13 H GLU 13 -18.774 -2.935 5.323 80 HA GLU 13 HA GLU 13 -16.066 -2.072 5.668 81 HB2 GLU 13 1HB GLU 13 -17.352 -4.762 6.168 82 HB3 GLU 13 2HB GLU 13 -15.730 -4.309 6.674 83 HG2 GLU 13 1HG GLU 13 -16.636 -2.586 8.120 84 HG3 GLU 13 2HG GLU 13 -18.269 -2.971 7.580 85 H LEU 14 H LEU 14 -14.969 -1.857 3.780 86 HA LEU 14 HA LEU 14 -15.130 -3.828 1.690 87 HB2 LEU 14 1HB LEU 14 -13.151 -1.577 1.981 88 HB3 LEU 14 2HB LEU 14 -13.557 -2.453 0.508 89 HG LEU 14 HG LEU 14 -15.511 -0.712 2.003 90 HD11 LEU 14 1HD1 LEU 14 -15.087 0.880 0.088 91 HD12 LEU 14 2HD1 LEU 14 -13.630 -0.054 -0.248 92 HD13 LEU 14 3HD1 LEU 14 -13.812 0.768 1.302 93 HD21 LEU 14 1HD2 LEU 14 -16.562 -2.371 0.601 94 HD22 LEU 14 2HD2 LEU 14 -15.523 -1.932 -0.756 95 HD23 LEU 14 3HD2 LEU 14 -16.718 -0.784 -0.151 96 H THR 15 H THR 15 -13.276 -4.995 0.857 97 HA THR 15 HA THR 15 -11.496 -5.874 3.027 98 HB THR 15 HB THR 15 -12.266 -7.325 0.487 99 HG1 THR 15 1HG THR 15 -13.056 -7.637 3.206 100 HG21 THR 15 1HG2 THR 15 -11.002 -8.755 2.740 101 HG22 THR 15 2HG2 THR 15 -9.952 -7.670 1.828 102 HG23 THR 15 3HG2 THR 15 -10.803 -8.975 1.003 103 H VAL 16 H VAL 16 -9.918 -4.266 2.758 104 HA VAL 16 HA VAL 16 -8.605 -3.989 0.181 105 HB VAL 16 HB VAL 16 -7.971 -2.686 2.833 106 HG11 VAL 16 1HG1 VAL 16 -6.687 -1.085 1.403 107 HG12 VAL 16 2HG1 VAL 16 -6.000 -2.709 1.484 108 HG13 VAL 16 3HG1 VAL 16 -6.904 -2.203 0.057 109 HG21 VAL 16 1HG2 VAL 16 -9.893 -2.086 0.702 110 HG22 VAL 16 2HG2 VAL 16 -9.865 -1.563 2.386 111 HG23 VAL 16 3HG2 VAL 16 -8.885 -0.721 1.185 112 H SER 17 H SER 17 -6.727 -4.904 -0.395 113 HA SER 17 HA SER 17 -4.920 -5.989 1.598 114 HB2 SER 17 1HB SER 17 -6.621 -7.795 1.119 115 HB3 SER 17 2HB SER 17 -6.025 -7.819 -0.541 116 HG SER 17 HG SER 17 -3.872 -8.094 0.634 117 H ALA 18 H ALA 18 -2.870 -5.740 0.972 118 HA ALA 18 HA ALA 18 -2.296 -4.578 -1.587 119 HB1 ALA 18 1HB ALA 18 -0.061 -4.326 -0.799 120 HB2 ALA 18 2HB ALA 18 -1.142 -3.960 0.546 121 HB3 ALA 18 3HB ALA 18 -0.315 -5.516 0.478 122 H GLY 19 H GLY 19 -1.657 -7.694 -0.025 123 HA2 GLY 19 1HA GLY 19 -1.888 -9.452 -1.969 124 HA3 GLY 19 2HA GLY 19 -0.389 -8.683 -2.470 125 H ASP 20 H ASP 20 1.374 -8.654 -0.824 126 HA ASP 20 HA ASP 20 1.338 -10.405 1.393 127 HB2 ASP 20 1HB ASP 20 1.223 -12.104 -0.418 128 HB3 ASP 20 2HB ASP 20 2.745 -11.489 -1.055 129 H ASN 21 H ASN 21 3.502 -10.685 2.351 130 HA ASN 21 HA ASN 21 4.934 -8.291 2.413 131 HB2 ASN 21 1HB ASN 21 6.741 -9.810 3.519 132 HB3 ASN 21 2HB ASN 21 5.189 -9.597 4.324 133 HD21 ASN 21 1HD2 ASN 21 7.436 -11.806 3.370 134 HD22 ASN 21 2HD2 ASN 21 6.460 -13.232 3.390 135 H LEU 22 H LEU 22 6.550 -7.475 1.234 136 HA LEU 22 HA LEU 22 7.729 -9.192 -0.845 137 HB2 LEU 22 1HB LEU 22 7.663 -6.185 -0.823 138 HB3 LEU 22 2HB LEU 22 8.061 -7.247 -2.172 139 HG LEU 22 HG LEU 22 5.937 -6.481 -2.701 140 HD11 LEU 22 1HD1 LEU 22 5.609 -9.083 -1.221 141 HD12 LEU 22 2HD1 LEU 22 5.966 -8.858 -2.933 142 HD13 LEU 22 3HD1 LEU 22 4.390 -8.392 -2.292 143 HD21 LEU 22 1HD2 LEU 22 5.542 -5.399 -0.502 144 HD22 LEU 22 2HD2 LEU 22 5.046 -6.966 0.139 145 HD23 LEU 22 3HD2 LEU 22 4.118 -6.208 -1.156 146 H ILE 23 H ILE 23 9.932 -9.260 -1.138 147 HA ILE 23 HA ILE 23 11.585 -7.762 0.778 148 HB ILE 23 HB ILE 23 11.900 -10.690 0.108 149 HG12 ILE 23 1HG1 ILE 23 11.283 -9.367 2.757 150 HG13 ILE 23 2HG1 ILE 23 10.075 -10.119 1.721 151 HG21 ILE 23 1HG2 ILE 23 14.073 -10.204 0.449 152 HG22 ILE 23 2HG2 ILE 23 13.713 -8.701 1.297 153 HG23 ILE 23 3HG2 ILE 23 13.605 -10.241 2.149 154 HD11 ILE 23 1HD1 ILE 23 12.316 -11.424 3.221 155 HD12 ILE 23 2HD1 ILE 23 10.581 -11.714 3.353 156 HD13 ILE 23 3HD1 ILE 23 11.455 -12.238 1.915 157 H ILE 24 H ILE 24 13.050 -6.589 -0.251 158 HA ILE 24 HA ILE 24 13.942 -7.465 -2.916 159 HB ILE 24 HB ILE 24 14.763 -4.953 -2.938 160 HG12 ILE 24 1HG1 ILE 24 12.431 -4.903 -1.010 161 HG13 ILE 24 2HG1 ILE 24 14.095 -4.475 -0.629 162 HG21 ILE 24 1HG2 ILE 24 12.815 -4.377 -4.171 163 HG22 ILE 24 2HG2 ILE 24 13.100 -6.097 -4.431 164 HG23 ILE 24 3HG2 ILE 24 11.842 -5.571 -3.312 165 HD11 ILE 24 1HD1 ILE 24 13.980 -2.582 -2.124 166 HD12 ILE 24 2HD1 ILE 24 12.345 -3.034 -2.607 167 HD13 ILE 24 3HD1 ILE 24 12.665 -2.515 -0.952 168 H THR 25 H THR 25 16.195 -6.743 -3.488 169 HA THR 25 HA THR 25 18.005 -6.761 -1.176 170 HB THR 25 HB THR 25 18.348 -8.539 -3.599 171 HG1 THR 25 1HG THR 25 17.454 -9.008 -0.957 172 HG21 THR 25 1HG2 THR 25 20.500 -7.870 -2.826 173 HG22 THR 25 2HG2 THR 25 20.217 -9.493 -2.197 174 HG23 THR 25 3HG2 THR 25 20.035 -8.093 -1.141 175 H LEU 26 H LEU 26 19.477 -5.204 -1.317 176 HA LEU 26 HA LEU 26 19.635 -3.305 -3.278 177 HB2 LEU 26 1HB LEU 26 21.689 -4.297 -1.330 178 HB3 LEU 26 2HB LEU 26 22.036 -2.968 -2.434 179 HG LEU 26 HG LEU 26 19.868 -2.995 -0.335 180 HD11 LEU 26 1HD1 LEU 26 22.252 -2.869 0.471 181 HD12 LEU 26 2HD1 LEU 26 21.220 -1.510 0.916 182 HD13 LEU 26 3HD1 LEU 26 22.380 -1.342 -0.402 183 HD21 LEU 26 1HD2 LEU 26 19.696 -0.581 -0.903 184 HD22 LEU 26 2HD2 LEU 26 19.181 -1.656 -2.204 185 HD23 LEU 26 3HD2 LEU 26 20.759 -0.871 -2.280 186 HA PRO 27 HA PRO 27 21.457 -1.919 -4.020 187 HB2 PRO 27 1HB PRO 27 21.397 -0.918 -6.543 188 HB3 PRO 27 2HB PRO 27 22.895 -1.388 -5.732 189 HG2 PRO 27 1HG PRO 27 21.273 -2.903 -7.741 190 HG3 PRO 27 2HG PRO 27 23.033 -2.713 -7.638 191 HD2 PRO 27 1HD PRO 27 21.755 -4.939 -6.776 192 HD3 PRO 27 2HD PRO 27 23.239 -4.334 -6.012 193 H ASP 28 H ASP 28 19.400 -3.846 -6.036 194 HA ASP 28 HA ASP 28 17.387 -2.240 -6.854 195 HB2 ASP 28 1HB ASP 28 17.080 -4.916 -5.476 196 HB3 ASP 28 2HB ASP 28 15.825 -4.128 -6.430 197 H ASN 29 H ASN 29 16.806 -0.469 -5.707 198 HA ASN 29 HA ASN 29 15.675 -0.930 -3.025 199 HB2 ASN 29 1HB ASN 29 16.291 1.411 -2.492 200 HB3 ASN 29 2HB ASN 29 17.696 0.413 -2.855 201 HD21 ASN 29 1HD2 ASN 29 18.921 2.232 -3.361 202 HD22 ASN 29 2HD2 ASN 29 18.700 3.099 -4.839 203 H GLU 30 H GLU 30 14.359 -1.067 -5.650 204 HA GLU 30 HA GLU 30 12.334 1.018 -5.188 205 HB2 GLU 30 1HB GLU 30 13.066 -0.010 -7.927 206 HB3 GLU 30 2HB GLU 30 12.033 1.356 -7.529 207 HG2 GLU 30 1HG GLU 30 13.973 2.556 -6.639 208 HG3 GLU 30 2HG GLU 30 15.004 1.192 -7.070 209 H VAL 31 H VAL 31 10.299 0.302 -5.029 210 HA VAL 31 HA VAL 31 9.580 -2.297 -6.159 211 HB VAL 31 HB VAL 31 10.090 -3.063 -4.018 212 HG11 VAL 31 1HG1 VAL 31 9.162 -1.782 -1.969 213 HG12 VAL 31 2HG1 VAL 31 10.610 -1.173 -2.775 214 HG13 VAL 31 3HG1 VAL 31 9.045 -0.419 -3.082 215 HG21 VAL 31 1HG2 VAL 31 8.011 -3.692 -3.042 216 HG22 VAL 31 2HG2 VAL 31 7.194 -2.284 -3.721 217 HG23 VAL 31 3HG2 VAL 31 7.753 -3.577 -4.783 218 H GLU 32 H GLU 32 7.431 -2.504 -6.702 219 HA GLU 32 HA GLU 32 5.779 -0.095 -6.311 220 HB2 GLU 32 1HB GLU 32 6.263 -0.211 -8.620 221 HB3 GLU 32 2HB GLU 32 6.029 -1.953 -8.665 222 HG2 GLU 32 1HG GLU 32 3.713 -1.771 -8.608 223 HG3 GLU 32 2HG GLU 32 3.763 -0.118 -7.998 224 H LEU 33 H LEU 33 4.362 -0.539 -4.744 225 HA LEU 33 HA LEU 33 3.223 -3.210 -4.507 226 HB2 LEU 33 1HB LEU 33 2.718 -0.804 -2.770 227 HB3 LEU 33 2HB LEU 33 2.351 -2.487 -2.398 228 HG LEU 33 HG LEU 33 5.192 -1.736 -2.875 229 HD11 LEU 33 1HD1 LEU 33 3.751 -1.207 -0.280 230 HD12 LEU 33 2HD1 LEU 33 4.330 0.031 -1.394 231 HD13 LEU 33 3HD1 LEU 33 5.480 -1.030 -0.580 232 HD21 LEU 33 1HD2 LEU 33 3.646 -3.894 -1.657 233 HD22 LEU 33 2HD2 LEU 33 5.013 -3.359 -0.678 234 HD23 LEU 33 3HD2 LEU 33 5.274 -3.905 -2.335 235 H LYS 34 H LYS 34 0.981 -3.616 -4.498 236 HA LYS 34 HA LYS 34 -0.713 -1.499 -5.631 237 HB2 LYS 34 1HB LYS 34 0.220 -3.405 -7.241 238 HB3 LYS 34 2HB LYS 34 -1.135 -4.298 -6.562 239 HG2 LYS 34 1HG LYS 34 -1.659 -1.562 -7.579 240 HG3 LYS 34 2HG LYS 34 -1.361 -2.841 -8.758 241 HD2 LYS 34 1HD LYS 34 -3.103 -4.129 -7.212 242 HD3 LYS 34 2HD LYS 34 -3.624 -2.477 -6.869 243 HE2 LYS 34 1HE LYS 34 -3.535 -3.899 -9.516 244 HE3 LYS 34 2HE LYS 34 -4.930 -3.202 -8.695 245 HZ1 LYS 34 1HZ LYS 34 -3.659 -1.973 -10.655 246 HZ2 LYS 34 2HZ LYS 34 -2.757 -1.379 -9.354 247 HZ3 LYS 34 3HZ LYS 34 -4.430 -1.133 -9.405 248 H ALA 35 H ALA 35 -2.667 -1.319 -4.709 249 HA ALA 35 HA ALA 35 -3.325 -3.152 -2.545 250 HB1 ALA 35 1HB ALA 35 -3.717 -0.379 -3.032 251 HB2 ALA 35 2HB ALA 35 -5.296 -1.135 -2.813 252 HB3 ALA 35 3HB ALA 35 -4.059 -1.302 -1.568 253 H PHE 36 H PHE 36 -5.424 -4.094 -2.313 254 HA PHE 36 HA PHE 36 -7.009 -4.295 -4.770 255 HB2 PHE 36 1HB PHE 36 -5.833 -6.590 -3.209 256 HB3 PHE 36 2HB PHE 36 -7.234 -6.795 -4.257 257 HD1 PHE 36 1HD PHE 36 -6.982 -6.118 -6.707 258 HD2 PHE 36 2HD PHE 36 -3.683 -6.690 -4.078 259 HE1 PHE 36 1HE PHE 36 -5.492 -6.406 -8.644 260 HE2 PHE 36 2HE PHE 36 -2.188 -6.977 -6.011 261 HZ PHE 36 HZ PHE 36 -3.092 -6.835 -8.298 262 H VAL 37 H VAL 37 -8.923 -3.510 -4.180 263 HA VAL 37 HA VAL 37 -10.058 -4.388 -1.604 264 HB VAL 37 HB VAL 37 -9.648 -1.994 -1.582 265 HG11 VAL 37 1HG1 VAL 37 -10.179 -2.070 -4.263 266 HG12 VAL 37 2HG1 VAL 37 -11.625 -1.291 -3.617 267 HG13 VAL 37 3HG1 VAL 37 -10.032 -0.604 -3.295 268 HG21 VAL 37 1HG2 VAL 37 -11.642 -2.864 -0.444 269 HG22 VAL 37 2HG2 VAL 37 -11.888 -1.221 -1.035 270 HG23 VAL 37 3HG2 VAL 37 -12.589 -2.585 -1.905 271 H ALA 38 H ALA 38 -11.988 -5.383 -1.619 272 HA ALA 38 HA ALA 38 -13.568 -5.333 -4.101 273 HB1 ALA 38 1HB ALA 38 -13.945 -7.678 -4.024 274 HB2 ALA 38 2HB ALA 38 -12.204 -7.430 -3.882 275 HB3 ALA 38 3HB ALA 38 -13.159 -7.817 -2.451 276 HA PRO 39 HA PRO 39 -15.471 -6.320 -4.781 277 HB2 PRO 39 1HB PRO 39 -17.644 -4.841 -5.461 278 HB3 PRO 39 2HB PRO 39 -17.765 -6.436 -4.709 279 HG2 PRO 39 1HG PRO 39 -17.994 -3.728 -3.454 280 HG3 PRO 39 2HG PRO 39 -18.983 -5.175 -3.182 281 HD2 PRO 39 1HD PRO 39 -17.008 -4.421 -1.490 282 HD3 PRO 39 2HD PRO 39 -17.431 -6.123 -1.766 283 H ALA 40 H ALA 40 -14.886 -5.221 -6.660 284 HA ALA 40 HA ALA 40 -13.446 -2.790 -6.282 285 HB1 ALA 40 1HB ALA 40 -14.121 -4.288 -8.811 286 HB2 ALA 40 2HB ALA 40 -12.977 -2.950 -8.692 287 HB3 ALA 40 3HB ALA 40 -12.655 -4.463 -7.845 288 HA PRO 41 HA PRO 41 -16.643 0.135 -7.096 289 HB2 PRO 41 1HB PRO 41 -15.086 2.254 -7.772 290 HB3 PRO 41 2HB PRO 41 -15.262 1.683 -6.108 291 HG2 PRO 41 1HG PRO 41 -13.058 1.161 -8.066 292 HG3 PRO 41 2HG PRO 41 -12.952 1.550 -6.339 293 HD2 PRO 41 1HD PRO 41 -12.702 -0.976 -7.282 294 HD3 PRO 41 2HD PRO 41 -13.411 -0.615 -5.695 295 HA PRO 42 HA PRO 42 -17.409 0.183 -11.431 296 HB2 PRO 42 1HB PRO 42 -18.938 2.416 -11.647 297 HB3 PRO 42 2HB PRO 42 -19.526 0.916 -10.920 298 HG2 PRO 42 1HG PRO 42 -18.490 3.388 -9.587 299 HG3 PRO 42 2HG PRO 42 -19.893 2.390 -9.160 300 HD2 PRO 42 1HD PRO 42 -17.521 2.202 -7.866 301 HD3 PRO 42 2HD PRO 42 -18.600 0.810 -8.091 302 H VAL 43 H VAL 43 -17.691 2.181 -13.189 303 HA VAL 43 HA VAL 43 -14.997 3.117 -13.534 304 HB VAL 43 HB VAL 43 -16.309 2.362 -15.460 305 HG11 VAL 43 1HG1 VAL 43 -17.961 4.854 -15.289 306 HG12 VAL 43 2HG1 VAL 43 -18.252 3.385 -16.222 307 HG13 VAL 43 3HG1 VAL 43 -18.468 3.377 -14.471 308 HG21 VAL 43 1HG2 VAL 43 -15.952 5.257 -16.007 309 HG22 VAL 43 2HG2 VAL 43 -14.550 4.348 -15.444 310 HG23 VAL 43 3HG2 VAL 43 -15.388 3.855 -16.916 311 H GLU 44 H GLU 44 -18.113 4.561 -12.736 312 HA GLU 44 HA GLU 44 -17.133 7.256 -12.826 313 HB2 GLU 44 1HB GLU 44 -19.679 6.009 -11.807 314 HB3 GLU 44 2HB GLU 44 -19.343 7.725 -11.627 315 HG2 GLU 44 1HG GLU 44 -19.464 8.122 -13.903 316 HG3 GLU 44 2HG GLU 44 -19.185 6.431 -14.314 317 H THR 45 H THR 45 -18.460 5.378 -10.099 318 HA THR 45 HA THR 45 -17.136 7.060 -8.183 319 HB THR 45 HB THR 45 -18.616 4.459 -7.747 320 HG1 THR 45 1HG THR 45 -20.388 5.740 -7.381 321 HG21 THR 45 1HG2 THR 45 -18.876 5.432 -5.417 322 HG22 THR 45 2HG2 THR 45 -17.611 6.578 -5.858 323 HG23 THR 45 3HG2 THR 45 -17.267 4.849 -5.840 324 H THR 46 H THR 46 -15.259 6.725 -7.146 325 HA THR 46 HA THR 46 -14.000 4.088 -7.249 326 HB THR 46 HB THR 46 -13.069 5.248 -9.180 327 HG1 THR 46 1HG THR 46 -10.781 5.398 -8.187 328 HG21 THR 46 1HG2 THR 46 -13.474 7.558 -8.220 329 HG22 THR 46 2HG2 THR 46 -11.936 7.329 -9.053 330 HG23 THR 46 3HG2 THR 46 -11.994 7.333 -7.290 331 H TYR 47 H TYR 47 -12.476 3.709 -5.612 332 HA TYR 47 HA TYR 47 -12.859 5.349 -3.258 333 HB2 TYR 47 1HB TYR 47 -11.132 2.886 -3.534 334 HB3 TYR 47 2HB TYR 47 -11.768 3.585 -2.050 335 HD1 TYR 47 2HD TYR 47 -14.589 4.113 -3.068 336 HD2 TYR 47 1HD TYR 47 -12.052 0.709 -3.350 337 HE1 TYR 47 2HE TYR 47 -16.567 2.660 -3.229 338 HE2 TYR 47 1HE TYR 47 -14.023 -0.754 -3.513 339 HH TYR 47 HH TYR 47 -16.338 -0.784 -3.032 340 H ASN 48 H ASN 48 -10.920 5.837 -1.866 341 HA ASN 48 HA ASN 48 -8.798 6.962 -3.560 342 HB2 ASN 48 1HB ASN 48 -10.277 8.436 -2.033 343 HB3 ASN 48 2HB ASN 48 -9.326 7.769 -0.710 344 HD21 ASN 48 1HD2 ASN 48 -9.119 9.550 -3.735 345 HD22 ASN 48 2HD2 ASN 48 -7.662 10.395 -3.350 346 H TYR 49 H TYR 49 -6.705 6.425 -3.261 347 HA TYR 49 HA TYR 49 -6.139 4.384 -1.224 348 HB2 TYR 49 1HB TYR 49 -4.508 5.047 -3.680 349 HB3 TYR 49 2HB TYR 49 -4.312 3.656 -2.619 350 HD1 TYR 49 1HD TYR 49 -6.172 1.933 -2.538 351 HD2 TYR 49 2HD TYR 49 -5.972 4.963 -5.518 352 HE1 TYR 49 1HE TYR 49 -7.697 0.628 -3.960 353 HE2 TYR 49 2HE TYR 49 -7.497 3.667 -6.947 354 HH TYR 49 HH TYR 49 -9.327 1.108 -5.837 355 H GLU 50 H GLU 50 -5.311 5.250 0.565 356 HA GLU 50 HA GLU 50 -3.267 7.353 0.276 357 HB2 GLU 50 1HB GLU 50 -5.143 8.295 1.405 358 HB3 GLU 50 2HB GLU 50 -5.303 6.891 2.451 359 HG2 GLU 50 1HG GLU 50 -2.971 7.514 3.313 360 HG3 GLU 50 2HG GLU 50 -3.255 9.071 2.539 361 H TRP 51 H TRP 51 -1.336 6.409 0.459 362 HA TRP 51 HA TRP 51 -0.965 4.166 2.281 363 HB2 TRP 51 1HB TRP 51 0.847 5.443 0.226 364 HB3 TRP 51 2HB TRP 51 1.347 4.118 1.275 365 HD1 TRP 51 HD TRP 51 -0.925 4.879 -1.712 366 HE1 TRP 51 1HE TRP 51 -1.582 2.655 -2.830 367 HE3 TRP 51 3HE TRP 51 1.024 1.634 1.725 368 HZ2 TRP 51 2HZ TRP 51 -1.312 -0.108 -2.321 369 HZ3 TRP 51 3HZ TRP 51 0.781 -0.783 1.335 370 HH2 TRP 51 HH TRP 51 -0.363 -1.634 -0.647 371 H ASN 52 H ASN 52 0.486 4.156 3.999 372 HA ASN 52 HA ASN 52 1.860 6.620 4.705 373 HB2 ASN 52 1HB ASN 52 -0.509 5.541 6.159 374 HB3 ASN 52 2HB ASN 52 0.810 6.207 7.118 375 HD21 ASN 52 1HD2 ASN 52 -1.695 6.887 4.818 376 HD22 ASN 52 2HD2 ASN 52 -1.640 8.608 4.961 377 H LEU 53 H LEU 53 3.547 6.334 6.183 378 HA LEU 53 HA LEU 53 4.365 3.539 6.521 379 HB2 LEU 53 1HB LEU 53 5.861 5.167 5.349 380 HB3 LEU 53 2HB LEU 53 6.021 6.030 6.877 381 HG LEU 53 HG LEU 53 7.249 4.275 7.858 382 HD11 LEU 53 1HD1 LEU 53 6.236 2.626 5.567 383 HD12 LEU 53 2HD1 LEU 53 6.085 2.331 7.299 384 HD13 LEU 53 3HD1 LEU 53 7.648 2.139 6.505 385 HD21 LEU 53 1HD2 LEU 53 8.365 4.049 5.115 386 HD22 LEU 53 2HD2 LEU 53 9.175 4.392 6.644 387 HD23 LEU 53 3HD2 LEU 53 8.250 5.657 5.832 388 H ILE 54 H ILE 54 3.622 2.747 8.394 389 HA ILE 54 HA ILE 54 3.700 4.426 10.793 390 HB ILE 54 HB ILE 54 2.381 2.591 11.846 391 HG12 ILE 54 1HG1 ILE 54 3.297 0.994 9.894 392 HG13 ILE 54 2HG1 ILE 54 1.800 0.670 10.761 393 HG21 ILE 54 1HG2 ILE 54 0.293 3.071 10.602 394 HG22 ILE 54 2HG2 ILE 54 1.239 4.515 10.960 395 HG23 ILE 54 3HG2 ILE 54 1.261 3.828 9.336 396 HD11 ILE 54 1HD1 ILE 54 1.822 2.262 8.227 397 HD12 ILE 54 2HD1 ILE 54 1.777 0.499 8.218 398 HD13 ILE 54 3HD1 ILE 54 0.480 1.411 8.991 399 H SER 55 H SER 55 5.330 1.822 9.277 400 HA SER 55 HA SER 55 6.942 1.430 11.709 401 HB2 SER 55 1HB SER 55 5.297 -0.498 10.916 402 HB3 SER 55 2HB SER 55 6.617 -0.844 9.800 403 HG SER 55 HG SER 55 6.511 -1.085 12.570 404 H HIS 56 H HIS 56 8.954 2.072 11.374 405 HA HIS 56 HA HIS 56 10.533 1.191 9.202 406 HB2 HIS 56 1HB HIS 56 10.819 3.150 7.914 407 HB3 HIS 56 2HB HIS 56 9.078 2.997 8.127 408 HD1 HIS 56 1HD HIS 56 11.839 5.318 8.596 409 HD2 HIS 56 2HD HIS 56 8.036 4.799 10.186 410 HE1 HIS 56 1HE HIS 56 11.271 7.501 9.706 411 HE2 HIS 56 2HE HIS 56 9.002 7.135 10.735 412 HA PRO 57 HA PRO 57 13.626 2.179 12.168 413 HB2 PRO 57 1HB PRO 57 15.813 2.161 10.560 414 HB3 PRO 57 2HB PRO 57 14.969 0.687 11.049 415 HG2 PRO 57 1HG PRO 57 14.766 2.226 8.489 416 HG3 PRO 57 2HG PRO 57 14.854 0.472 8.736 417 HD2 PRO 57 1HD PRO 57 12.523 1.759 8.243 418 HD3 PRO 57 2HD PRO 57 12.616 0.308 9.261 419 H THR 58 H THR 58 14.546 3.968 13.020 420 HA THR 58 HA THR 58 13.994 6.506 12.039 421 HB THR 58 HB THR 58 14.757 5.766 14.412 422 HG1 THR 58 1HG THR 58 15.964 8.184 13.665 423 HG21 THR 58 1HG2 THR 58 17.404 6.433 13.119 424 HG22 THR 58 2HG2 THR 58 16.933 4.884 13.820 425 HG23 THR 58 3HG2 THR 58 17.137 6.296 14.857 426 H ASP 59 H ASP 59 16.640 4.372 11.337 427 HA ASP 59 HA ASP 59 18.494 6.245 10.351 428 HB2 ASP 59 1HB ASP 59 19.212 3.999 10.829 429 HB3 ASP 59 2HB ASP 59 18.061 3.332 9.674 430 H TYR 60 H TYR 60 15.743 4.641 8.872 431 HA TYR 60 HA TYR 60 16.175 5.074 6.198 432 HB2 TYR 60 1HB TYR 60 14.224 3.872 7.067 433 HB3 TYR 60 2HB TYR 60 13.559 5.378 7.689 434 HD1 TYR 60 1HD TYR 60 15.104 4.531 4.395 435 HD2 TYR 60 2HD TYR 60 11.645 5.862 6.483 436 HE1 TYR 60 1HE TYR 60 13.961 4.906 2.250 437 HE2 TYR 60 2HE TYR 60 10.492 6.240 4.344 438 HH TYR 60 HH TYR 60 10.724 6.330 2.118 439 H GLN 61 H GLN 61 15.738 6.733 4.738 440 HA GLN 61 HA GLN 61 15.272 9.392 5.910 441 HB2 GLN 61 1HB GLN 61 17.359 8.582 3.892 442 HB3 GLN 61 2HB GLN 61 16.862 10.254 4.116 443 HG2 GLN 61 1HG GLN 61 17.533 10.098 6.486 444 HG3 GLN 61 2HG GLN 61 18.117 8.463 6.182 445 HE21 GLN 61 1HE2 GLN 61 20.057 9.681 7.097 446 HE22 GLN 61 2HE2 GLN 61 21.128 10.380 5.935 447 H GLY 62 H GLY 62 15.004 7.268 3.123 448 HA2 GLY 62 1HA GLY 62 13.951 8.815 1.166 449 HA3 GLY 62 2HA GLY 62 13.348 7.201 1.511 450 H GLU 63 H GLU 63 11.777 9.298 0.464 451 HA GLU 63 HA GLU 63 9.894 9.691 2.694 452 HB2 GLU 63 1HB GLU 63 10.674 11.633 0.524 453 HB3 GLU 63 2HB GLU 63 9.195 11.809 1.459 454 HG2 GLU 63 1HG GLU 63 10.398 12.118 3.474 455 HG3 GLU 63 2HG GLU 63 11.915 11.630 2.720 456 H ILE 64 H ILE 64 7.915 8.916 2.353 457 HA ILE 64 HA ILE 64 7.272 7.848 -0.284 458 HB ILE 64 HB ILE 64 5.722 7.550 2.290 459 HG12 ILE 64 1HG1 ILE 64 7.602 5.545 1.036 460 HG13 ILE 64 2HG1 ILE 64 8.087 6.640 2.326 461 HG21 ILE 64 1HG2 ILE 64 5.181 6.825 -0.430 462 HG22 ILE 64 2HG2 ILE 64 5.320 5.375 0.563 463 HG23 ILE 64 3HG2 ILE 64 4.166 6.635 0.999 464 HD11 ILE 64 1HD1 ILE 64 7.197 5.326 3.870 465 HD12 ILE 64 2HD1 ILE 64 5.664 5.228 3.001 466 HD13 ILE 64 3HD1 ILE 64 6.977 4.120 2.603 467 H LYS 65 H LYS 65 5.510 8.445 -1.493 468 HA LYS 65 HA LYS 65 4.369 11.053 -0.845 469 HB2 LYS 65 1HB LYS 65 4.426 9.394 -3.362 470 HB3 LYS 65 2HB LYS 65 3.451 10.850 -3.217 471 HG2 LYS 65 1HG LYS 65 5.637 12.014 -2.558 472 HG3 LYS 65 2HG LYS 65 6.434 10.580 -3.208 473 HD2 LYS 65 1HD LYS 65 4.377 12.042 -4.821 474 HD3 LYS 65 2HD LYS 65 6.043 12.621 -4.757 475 HE2 LYS 65 1HE LYS 65 5.227 9.827 -5.547 476 HE3 LYS 65 2HE LYS 65 5.569 11.127 -6.687 477 HZ1 LYS 65 1HZ LYS 65 7.742 11.075 -5.029 478 HZ2 LYS 65 2HZ LYS 65 7.668 10.452 -6.600 479 HZ3 LYS 65 3HZ LYS 65 7.384 9.439 -5.275 480 H GLN 66 H GLN 66 3.559 8.458 0.439 481 HA GLN 66 HA GLN 66 1.670 7.373 1.103 482 HB2 GLN 66 1HB GLN 66 0.456 10.035 0.346 483 HB3 GLN 66 2HB GLN 66 -0.370 8.790 1.274 484 HG2 GLN 66 1HG GLN 66 0.848 9.182 3.155 485 HG3 GLN 66 2HG GLN 66 2.261 9.737 2.260 486 HE21 GLN 66 1HE2 GLN 66 2.648 11.701 3.036 487 HE22 GLN 66 2HE2 GLN 66 1.503 12.992 3.112 488 H GLY 67 H GLY 67 2.462 7.269 -1.776 489 HA2 GLY 67 1HA GLY 67 1.545 6.731 -3.853 490 HA3 GLY 67 2HA GLY 67 0.799 5.492 -2.854 491 H HIS 68 H HIS 68 0.343 8.846 -3.936 492 HA HIS 68 HA HIS 68 -2.300 9.196 -3.220 493 HB2 HIS 68 1HB HIS 68 -0.633 10.282 -5.463 494 HB3 HIS 68 2HB HIS 68 -2.349 10.671 -5.381 495 HD1 HIS 68 1HD HIS 68 -0.392 10.380 -2.218 496 HD2 HIS 68 2HD HIS 68 -1.774 13.352 -4.771 497 HE1 HIS 68 1HE HIS 68 -0.085 12.538 -0.965 498 HE2 HIS 68 2HE HIS 68 -1.007 14.313 -2.496 499 H LYS 69 H LYS 69 -1.016 7.018 -5.485 500 HA LYS 69 HA LYS 69 -3.631 6.671 -6.786 501 HB2 LYS 69 1HB LYS 69 -0.821 6.156 -7.640 502 HB3 LYS 69 2HB LYS 69 -2.081 5.107 -8.277 503 HG2 LYS 69 1HG LYS 69 -3.058 6.783 -9.491 504 HG3 LYS 69 2HG LYS 69 -2.471 8.053 -8.415 505 HD2 LYS 69 1HD LYS 69 -0.280 7.927 -9.318 506 HD3 LYS 69 2HD LYS 69 -0.647 6.427 -10.175 507 HE2 LYS 69 1HE LYS 69 -2.407 7.791 -11.431 508 HE3 LYS 69 2HE LYS 69 -1.596 9.213 -10.777 509 HZ1 LYS 69 1HZ LYS 69 -0.932 7.972 -13.076 510 HZ2 LYS 69 2HZ LYS 69 0.187 7.309 -11.996 511 HZ3 LYS 69 3HZ LYS 69 0.095 8.986 -12.195 512 H GLN 70 H GLN 70 -3.629 4.146 -7.608 513 HA GLN 70 HA GLN 70 -4.147 2.677 -5.224 514 HB2 GLN 70 1HB GLN 70 -5.416 2.420 -7.365 515 HB3 GLN 70 2HB GLN 70 -4.004 1.632 -8.055 516 HG2 GLN 70 1HG GLN 70 -4.182 -0.038 -6.163 517 HG3 GLN 70 2HG GLN 70 -5.764 0.665 -5.827 518 HE21 GLN 70 1HE2 GLN 70 -5.810 -1.897 -6.362 519 HE22 GLN 70 2HE2 GLN 70 -6.379 -2.222 -7.961 520 H THR 71 H THR 71 -1.349 3.201 -7.047 521 HA THR 71 HA THR 71 -0.055 0.846 -5.833 522 HB THR 71 HB THR 71 1.694 1.361 -7.751 523 HG1 THR 71 1HG THR 71 0.928 2.522 -9.359 524 HG21 THR 71 1HG2 THR 71 -0.861 0.000 -8.555 525 HG22 THR 71 2HG2 THR 71 0.208 -0.695 -7.337 526 HG23 THR 71 3HG2 THR 71 0.797 -0.425 -8.977 527 H LEU 72 H LEU 72 1.820 1.139 -4.711 528 HA LEU 72 HA LEU 72 2.737 3.922 -4.396 529 HB2 LEU 72 1HB LEU 72 1.637 2.467 -2.456 530 HB3 LEU 72 2HB LEU 72 3.298 1.900 -2.299 531 HG LEU 72 HG LEU 72 2.130 4.566 -1.690 532 HD11 LEU 72 1HD1 LEU 72 2.733 2.740 -0.019 533 HD12 LEU 72 2HD1 LEU 72 3.350 4.360 0.300 534 HD13 LEU 72 3HD1 LEU 72 4.415 3.129 -0.378 535 HD21 LEU 72 1HD2 LEU 72 4.662 5.288 -1.648 536 HD22 LEU 72 2HD2 LEU 72 3.685 5.465 -3.106 537 HD23 LEU 72 3HD2 LEU 72 4.787 4.098 -2.944 538 H ASN 73 H ASN 73 4.688 4.299 -5.189 539 HA ASN 73 HA ASN 73 6.566 2.052 -5.454 540 HB2 ASN 73 1HB ASN 73 6.008 4.465 -7.092 541 HB3 ASN 73 2HB ASN 73 7.688 3.946 -6.996 542 HD21 ASN 73 1HD2 ASN 73 4.519 2.370 -7.300 543 HD22 ASN 73 2HD2 ASN 73 4.966 1.350 -8.621 544 H LEU 74 H LEU 74 8.313 2.011 -4.208 545 HA LEU 74 HA LEU 74 9.039 4.449 -2.737 546 HB2 LEU 74 1HB LEU 74 9.136 1.554 -2.128 547 HB3 LEU 74 2HB LEU 74 10.440 2.548 -1.480 548 HG LEU 74 HG LEU 74 8.379 4.013 -0.647 549 HD11 LEU 74 1HD1 LEU 74 6.893 1.845 0.197 550 HD12 LEU 74 2HD1 LEU 74 7.200 1.506 -1.506 551 HD13 LEU 74 3HD1 LEU 74 6.426 3.019 -1.033 552 HD21 LEU 74 1HD2 LEU 74 8.514 2.756 1.492 553 HD22 LEU 74 2HD2 LEU 74 10.088 3.162 0.808 554 HD23 LEU 74 3HD2 LEU 74 9.458 1.521 0.661 555 H SER 75 H SER 75 11.247 5.025 -2.499 556 HA SER 75 HA SER 75 13.191 3.695 -4.213 557 HB2 SER 75 1HB SER 75 13.733 5.592 -5.519 558 HB3 SER 75 2HB SER 75 11.971 5.522 -5.538 559 HG SER 75 HG SER 75 11.871 7.228 -4.200 560 H GLN 76 H GLN 76 15.400 4.585 -3.896 561 HA GLN 76 HA GLN 76 17.142 5.215 -2.573 562 HB2 GLN 76 1HB GLN 76 15.121 6.815 -1.000 563 HB3 GLN 76 2HB GLN 76 16.864 7.046 -1.026 564 HG2 GLN 76 1HG GLN 76 16.509 7.433 -3.569 565 HG3 GLN 76 2HG GLN 76 14.834 7.726 -3.102 566 HE21 GLN 76 1HE2 GLN 76 17.966 9.003 -3.302 567 HE22 GLN 76 2HE2 GLN 76 17.659 10.518 -2.531 568 H LEU 77 H LEU 77 15.332 2.926 -1.944 569 HA LEU 77 HA LEU 77 15.420 2.708 0.940 570 HB2 LEU 77 1HB LEU 77 14.697 0.638 -1.129 571 HB3 LEU 77 2HB LEU 77 14.415 0.522 0.607 572 HG LEU 77 HG LEU 77 13.109 2.520 -1.240 573 HD11 LEU 77 1HD1 LEU 77 11.109 0.983 -0.310 574 HD12 LEU 77 2HD1 LEU 77 12.399 -0.215 -0.402 575 HD13 LEU 77 3HD1 LEU 77 11.935 0.693 -1.841 576 HD21 LEU 77 1HD2 LEU 77 11.860 2.027 1.327 577 HD22 LEU 77 2HD2 LEU 77 12.306 3.552 0.561 578 HD23 LEU 77 3HD2 LEU 77 13.499 2.655 1.500 579 H SER 78 H SER 78 17.339 2.367 1.854 580 HA SER 78 HA SER 78 19.416 0.886 0.490 581 HB2 SER 78 1HB SER 78 19.238 2.520 2.981 582 HB3 SER 78 2HB SER 78 20.529 1.323 2.867 583 HG SER 78 HG SER 78 21.507 2.523 1.439 584 H VAL 79 H VAL 79 18.428 0.607 3.887 585 HA VAL 79 HA VAL 79 17.761 -2.191 3.580 586 HB VAL 79 HB VAL 79 20.059 -1.451 5.392 587 HG11 VAL 79 1HG1 VAL 79 19.290 -4.210 4.520 588 HG12 VAL 79 2HG1 VAL 79 20.218 -3.704 5.933 589 HG13 VAL 79 3HG1 VAL 79 18.475 -3.436 5.878 590 HG21 VAL 79 1HG2 VAL 79 21.510 -2.608 3.811 591 HG22 VAL 79 2HG2 VAL 79 20.142 -2.867 2.728 592 HG23 VAL 79 3HG2 VAL 79 20.719 -1.231 3.043 593 H GLY 80 H GLY 80 16.057 -2.541 4.835 594 HA2 GLY 80 1HA GLY 80 15.773 -2.299 7.504 595 HA3 GLY 80 2HA GLY 80 15.397 -0.675 6.948 596 H LEU 81 H LEU 81 13.552 -2.237 8.321 597 HA LEU 81 HA LEU 81 11.738 -3.373 6.357 598 HB2 LEU 81 1HB LEU 81 11.734 -4.649 8.279 599 HB3 LEU 81 2HB LEU 81 11.841 -3.243 9.335 600 HG LEU 81 HG LEU 81 9.492 -2.735 8.919 601 HD11 LEU 81 1HD1 LEU 81 8.361 -3.561 7.200 602 HD12 LEU 81 2HD1 LEU 81 8.709 -5.215 7.700 603 HD13 LEU 81 3HD1 LEU 81 9.843 -4.352 6.662 604 HD21 LEU 81 1HD2 LEU 81 10.160 -5.517 9.842 605 HD22 LEU 81 2HD2 LEU 81 8.529 -4.852 9.940 606 HD23 LEU 81 3HD2 LEU 81 9.851 -4.080 10.818 607 H TYR 82 H TYR 82 9.734 -2.559 5.820 608 HA TYR 82 HA TYR 82 8.931 0.016 6.950 609 HB2 TYR 82 1HB TYR 82 9.037 -0.404 3.963 610 HB3 TYR 82 2HB TYR 82 8.707 1.091 4.832 611 HD1 TYR 82 2HD TYR 82 10.553 2.259 6.020 612 HD2 TYR 82 1HD TYR 82 11.269 -1.112 3.525 613 HE1 TYR 82 2HE TYR 82 12.938 2.849 5.917 614 HE2 TYR 82 1HE TYR 82 13.657 -0.532 3.416 615 HH TYR 82 HH TYR 82 14.872 2.423 4.286 616 H VAL 83 H VAL 83 6.923 -0.274 7.632 617 HA VAL 83 HA VAL 83 5.175 -2.153 6.213 618 HB VAL 83 HB VAL 83 4.819 -0.882 8.932 619 HG11 VAL 83 1HG1 VAL 83 3.247 -3.077 7.586 620 HG12 VAL 83 2HG1 VAL 83 2.995 -2.472 9.224 621 HG13 VAL 83 3HG1 VAL 83 2.695 -1.422 7.839 622 HG21 VAL 83 1HG2 VAL 83 5.285 -3.792 8.551 623 HG22 VAL 83 2HG2 VAL 83 6.667 -2.706 8.413 624 HG23 VAL 83 3HG2 VAL 83 5.721 -2.744 9.900 625 H PHE 84 H PHE 84 4.126 -1.152 4.602 626 HA PHE 84 HA PHE 84 3.105 1.556 4.998 627 HB2 PHE 84 1HB PHE 84 2.754 0.012 2.455 628 HB3 PHE 84 2HB PHE 84 2.960 1.745 2.686 629 HD1 PHE 84 2HD PHE 84 5.305 2.393 3.776 630 HD2 PHE 84 1HD PHE 84 4.509 -1.157 1.567 631 HE1 PHE 84 2HE PHE 84 7.703 2.175 3.270 632 HE2 PHE 84 1HE PHE 84 6.905 -1.381 1.057 633 HZ PHE 84 HZ PHE 84 8.506 0.286 1.908 634 H LYS 85 H LYS 85 1.056 1.960 5.490 635 HA LYS 85 HA LYS 85 -0.907 -0.216 5.184 636 HB2 LYS 85 1HB LYS 85 -0.457 0.402 7.523 637 HB3 LYS 85 2HB LYS 85 -0.900 2.066 7.169 638 HG2 LYS 85 1HG LYS 85 -3.165 1.108 6.452 639 HG3 LYS 85 2HG LYS 85 -2.656 -0.357 7.294 640 HD2 LYS 85 1HD LYS 85 -3.963 1.006 8.793 641 HD3 LYS 85 2HD LYS 85 -2.283 1.000 9.334 642 HE2 LYS 85 1HE LYS 85 -3.151 3.161 7.489 643 HE3 LYS 85 2HE LYS 85 -3.698 3.235 9.163 644 HZ1 LYS 85 1HZ LYS 85 -1.730 4.039 9.722 645 HZ2 LYS 85 2HZ LYS 85 -1.193 3.936 8.122 646 HZ3 LYS 85 3HZ LYS 85 -0.972 2.629 9.173 647 H VAL 86 H VAL 86 -2.072 0.144 3.405 648 HA VAL 86 HA VAL 86 -2.673 2.845 2.531 649 HB VAL 86 HB VAL 86 -2.080 1.267 0.810 650 HG11 VAL 86 1HG1 VAL 86 -3.492 -0.569 2.355 651 HG12 VAL 86 2HG1 VAL 86 -4.418 -0.428 0.859 652 HG13 VAL 86 3HG1 VAL 86 -2.710 -0.867 0.803 653 HG21 VAL 86 1HG2 VAL 86 -5.010 1.499 0.365 654 HG22 VAL 86 2HG2 VAL 86 -4.083 2.980 0.602 655 HG23 VAL 86 3HG2 VAL 86 -3.669 1.881 -0.714 656 H THR 87 H THR 87 -4.306 3.879 3.471 657 HA THR 87 HA THR 87 -6.612 2.377 4.454 658 HB THR 87 HB THR 87 -6.165 5.341 4.771 659 HG1 THR 87 1HG THR 87 -4.567 4.859 6.061 660 HG21 THR 87 1HG2 THR 87 -8.219 5.104 5.658 661 HG22 THR 87 2HG2 THR 87 -7.373 4.389 7.031 662 HG23 THR 87 3HG2 THR 87 -8.065 3.352 5.784 663 H VAL 88 H VAL 88 -8.102 1.992 2.936 664 HA VAL 88 HA VAL 88 -8.841 4.194 1.121 665 HB VAL 88 HB VAL 88 -9.060 1.211 0.712 666 HG11 VAL 88 1HG1 VAL 88 -10.570 3.395 -0.465 667 HG12 VAL 88 2HG1 VAL 88 -9.714 2.436 -1.674 668 HG13 VAL 88 3HG1 VAL 88 -10.838 1.655 -0.561 669 HG21 VAL 88 1HG2 VAL 88 -6.867 2.600 0.355 670 HG22 VAL 88 2HG2 VAL 88 -7.362 1.389 -0.828 671 HG23 VAL 88 3HG2 VAL 88 -7.672 3.098 -1.133 672 H SER 89 H SER 89 -10.772 5.073 1.423 673 HA SER 89 HA SER 89 -12.998 3.442 2.358 674 HB2 SER 89 1HB SER 89 -13.600 5.091 4.112 675 HB3 SER 89 2HB SER 89 -12.057 4.301 4.437 676 HG SER 89 HG SER 89 -12.589 6.921 4.079 677 H SER 90 H SER 90 -15.040 4.299 1.864 678 HA SER 90 HA SER 90 -14.976 6.559 -0.026 679 HB2 SER 90 1HB SER 90 -15.588 4.149 -0.825 680 HB3 SER 90 2HB SER 90 -17.139 4.477 -0.053 681 HG SER 90 HG SER 90 -16.114 5.442 -2.395 682 H GLU 91 H GLU 91 -17.468 7.303 -0.305 683 HA GLU 91 HA GLU 91 -18.082 8.807 1.938 684 HB2 GLU 91 1HB GLU 91 -20.373 9.043 0.865 685 HB3 GLU 91 2HB GLU 91 -18.996 9.502 -0.127 686 HG2 GLU 91 1HG GLU 91 -19.103 7.346 -1.272 687 HG3 GLU 91 2HG GLU 91 -20.491 6.894 -0.283 688 H ASN 92 H ASN 92 -19.332 5.653 0.949 689 HA ASN 92 HA ASN 92 -20.506 5.368 3.635 690 HB2 ASN 92 1HB ASN 92 -21.635 4.401 1.001 691 HB3 ASN 92 2HB ASN 92 -22.253 3.912 2.576 692 HD21 ASN 92 1HD2 ASN 92 -23.320 5.426 3.865 693 HD22 ASN 92 2HD2 ASN 92 -23.959 6.890 3.207 694 H ALA 93 H ALA 93 -17.882 4.610 2.899 695 HA ALA 93 HA ALA 93 -17.955 1.846 3.679 696 HB1 ALA 93 1HB ALA 93 -16.366 1.310 1.649 697 HB2 ALA 93 2HB ALA 93 -18.119 1.190 1.494 698 HB3 ALA 93 3HB ALA 93 -17.275 2.615 0.886 699 H PHE 94 H PHE 94 -15.817 0.999 4.176 700 HA PHE 94 HA PHE 94 -13.588 2.841 4.172 701 HB2 PHE 94 1HB PHE 94 -14.893 3.493 6.191 702 HB3 PHE 94 2HB PHE 94 -14.700 1.854 6.806 703 HD1 PHE 94 2HD PHE 94 -12.424 1.021 7.378 704 HD2 PHE 94 1HD PHE 94 -13.181 5.096 6.411 705 HE1 PHE 94 2HE PHE 94 -10.285 1.660 8.412 706 HE2 PHE 94 1HE PHE 94 -11.042 5.742 7.442 707 HZ PHE 94 HZ PHE 94 -9.592 4.023 8.445 708 H GLY 95 H GLY 95 -11.630 1.818 4.305 709 HA2 GLY 95 1HA GLY 95 -11.333 -0.837 5.333 710 HA3 GLY 95 2HA GLY 95 -11.372 -0.819 3.576 711 H GLU 96 H GLU 96 -9.158 -1.720 4.986 712 HA GLU 96 HA GLU 96 -7.115 -0.080 3.852 713 HB2 GLU 96 1HB GLU 96 -5.908 0.381 5.965 714 HB3 GLU 96 2HB GLU 96 -7.445 1.227 5.860 715 HG2 GLU 96 1HG GLU 96 -7.452 0.460 8.027 716 HG3 GLU 96 2HG GLU 96 -8.374 -0.786 7.187 717 H GLY 97 H GLY 97 -4.976 -1.041 4.057 718 HA2 GLY 97 1HA GLY 97 -5.070 -3.877 4.875 719 HA3 GLY 97 2HA GLY 97 -4.371 -3.391 3.338 720 H PHE 98 H PHE 98 -2.611 -4.723 4.512 721 HA PHE 98 HA PHE 98 -0.706 -2.797 5.570 722 HB2 PHE 98 1HB PHE 98 -1.691 -5.195 7.097 723 HB3 PHE 98 2HB PHE 98 -0.084 -4.535 7.380 724 HD1 PHE 98 2HD PHE 98 -3.678 -3.952 7.716 725 HD2 PHE 98 1HD PHE 98 0.216 -2.401 8.456 726 HE1 PHE 98 2HE PHE 98 -4.636 -2.289 9.255 727 HE2 PHE 98 1HE PHE 98 -0.736 -0.736 9.997 728 HZ PHE 98 HZ PHE 98 -3.165 -0.678 10.397 729 H VAL 99 H VAL 99 1.198 -3.088 4.622 730 HA VAL 99 HA VAL 99 2.010 -5.786 3.813 731 HB VAL 99 HB VAL 99 0.972 -4.587 1.855 732 HG11 VAL 99 1HG1 VAL 99 3.451 -2.960 1.623 733 HG12 VAL 99 2HG1 VAL 99 1.839 -2.665 0.970 734 HG13 VAL 99 3HG1 VAL 99 2.164 -2.382 2.680 735 HG21 VAL 99 1HG2 VAL 99 2.255 -5.891 0.587 736 HG22 VAL 99 2HG2 VAL 99 3.676 -4.891 0.885 737 HG23 VAL 99 3HG2 VAL 99 3.252 -6.178 2.013 738 H ASN 100 H ASN 100 3.910 -6.169 4.723 739 HA ASN 100 HA ASN 100 5.687 -3.929 5.347 740 HB2 ASN 100 1HB ASN 100 6.178 -6.765 6.200 741 HB3 ASN 100 2HB ASN 100 6.664 -5.270 6.993 742 HD21 ASN 100 1HD2 ASN 100 5.565 -7.107 8.544 743 HD22 ASN 100 2HD2 ASN 100 3.947 -6.686 8.981 744 H VAL 101 H VAL 101 7.639 -3.650 4.421 745 HA VAL 101 HA VAL 101 8.528 -5.690 2.485 746 HB VAL 101 HB VAL 101 8.722 -2.685 2.267 747 HG11 VAL 101 1HG1 VAL 101 10.416 -4.735 1.165 748 HG12 VAL 101 2HG1 VAL 101 9.582 -3.857 -0.119 749 HG13 VAL 101 3HG1 VAL 101 10.563 -2.981 1.056 750 HG21 VAL 101 1HG2 VAL 101 6.592 -3.293 1.551 751 HG22 VAL 101 2HG2 VAL 101 7.527 -3.259 0.056 752 HG23 VAL 101 3HG2 VAL 101 7.157 -4.800 0.831 753 H THR 102 H THR 102 10.557 -6.417 2.676 754 HA THR 102 HA THR 102 12.330 -5.041 4.588 755 HB THR 102 HB THR 102 12.227 -7.987 3.911 756 HG1 THR 102 1HG THR 102 11.440 -6.485 6.197 757 HG21 THR 102 1HG2 THR 102 14.075 -6.368 5.645 758 HG22 THR 102 2HG2 THR 102 14.485 -7.527 4.380 759 HG23 THR 102 3HG2 THR 102 13.821 -8.092 5.913 760 H VAL 103 H VAL 103 14.296 -4.414 3.921 761 HA VAL 103 HA VAL 103 15.104 -5.158 1.188 762 HB VAL 103 HB VAL 103 15.960 -2.734 2.775 763 HG11 VAL 103 1HG1 VAL 103 16.779 -1.948 0.562 764 HG12 VAL 103 2HG1 VAL 103 17.636 -3.364 1.174 765 HG13 VAL 103 3HG1 VAL 103 16.420 -3.546 -0.091 766 HG21 VAL 103 1HG2 VAL 103 14.547 -1.639 0.846 767 HG22 VAL 103 2HG2 VAL 103 13.721 -3.197 0.865 768 HG23 VAL 103 3HG2 VAL 103 13.773 -2.209 2.325 769 H LYS 104 H LYS 104 16.786 -6.468 1.001 770 HA LYS 104 HA LYS 104 18.538 -6.898 3.294 771 HB2 LYS 104 1HB LYS 104 18.446 -8.377 0.659 772 HB3 LYS 104 2HB LYS 104 19.319 -8.869 2.105 773 HG2 LYS 104 1HG LYS 104 16.354 -8.491 2.183 774 HG3 LYS 104 2HG LYS 104 17.058 -9.982 1.552 775 HD2 LYS 104 1HD LYS 104 18.330 -10.195 3.692 776 HD3 LYS 104 2HD LYS 104 17.423 -8.812 4.308 777 HE2 LYS 104 1HE LYS 104 15.336 -10.187 3.650 778 HE3 LYS 104 2HE LYS 104 16.444 -11.558 3.611 779 HZ1 LYS 104 1HZ LYS 104 17.077 -10.973 5.920 780 HZ2 LYS 104 2HZ LYS 104 15.461 -11.445 5.761 781 HZ3 LYS 104 3HZ LYS 104 15.851 -9.808 5.933 782 HA PRO 105 HA PRO 105 21.910 -4.580 1.691 783 HB2 PRO 105 1HB PRO 105 23.991 -5.947 2.774 784 HB3 PRO 105 2HB PRO 105 22.925 -4.906 3.726 785 HG2 PRO 105 1HG PRO 105 22.885 -7.884 3.417 786 HG3 PRO 105 2HG PRO 105 22.678 -6.908 4.883 787 HD2 PRO 105 1HD PRO 105 20.586 -7.988 3.545 788 HD3 PRO 105 2HD PRO 105 20.469 -6.445 4.415 789 H ALA 106 H ALA 106 23.592 -4.625 0.157 790 HA ALA 106 HA ALA 106 23.305 -6.503 -1.923 791 HB1 ALA 106 1HB ALA 106 24.064 -4.468 -2.676 792 HB2 ALA 106 2HB ALA 106 25.213 -4.283 -1.351 793 HB3 ALA 106 3HB ALA 106 25.558 -5.405 -2.667 794 H ARG 107 H ARG 107 23.776 -8.594 -1.567 795 HA ARG 107 HA ARG 107 26.170 -9.321 -0.075 796 HB2 ARG 107 1HB ARG 107 25.316 -11.598 -0.169 797 HB3 ARG 107 2HB ARG 107 24.060 -10.501 0.391 798 HG2 ARG 107 1HG ARG 107 23.125 -10.475 -1.903 799 HG3 ARG 107 2HG ARG 107 24.325 -11.685 -2.363 800 HD2 ARG 107 1HD ARG 107 22.568 -13.053 -1.854 801 HD3 ARG 107 2HD ARG 107 23.340 -12.953 -0.272 802 HE ARG 107 HE ARG 107 21.356 -10.928 -0.670 803 HH11 ARG 107 2HH1 ARG 107 21.871 -14.250 0.237 804 HH12 ARG 107 1HH1 ARG 107 20.419 -14.355 1.175 805 HH21 ARG 107 2HH2 ARG 107 19.441 -11.054 0.563 806 HH22 ARG 107 1HH2 ARG 107 19.037 -12.537 1.360 807 H SER 108 H SER 108 26.644 -8.036 -2.534 808 HA SER 108 HA SER 108 27.236 -10.000 -4.547 809 HB2 SER 108 1HB SER 108 26.693 -7.818 -5.342 810 HB3 SER 108 2HB SER 108 27.881 -7.061 -4.280 811 HG SER 108 HG SER 108 28.223 -8.319 -6.722 812 H GLY 109 H GLY 109 29.328 -7.766 -2.702 813 HA2 GLY 109 1HA GLY 109 31.131 -9.562 -1.688 814 HA3 GLY 109 2HA GLY 109 31.685 -9.273 -3.330 815 HA PRO 110 HA PRO 110 31.965 -5.025 -1.018 816 HB2 PRO 110 1HB PRO 110 31.636 -5.102 1.675 817 HB3 PRO 110 2HB PRO 110 30.298 -4.833 0.551 818 HG2 PRO 110 1HG PRO 110 31.132 -7.353 1.936 819 HG3 PRO 110 2HG PRO 110 29.503 -6.698 1.690 820 HD2 PRO 110 1HD PRO 110 30.524 -8.679 0.152 821 HD3 PRO 110 2HD PRO 110 29.381 -7.475 -0.477 822 H SER 111 H SER 111 33.800 -4.094 -0.024 823 HA SER 111 HA SER 111 35.935 -6.016 0.489 824 HB2 SER 111 1HB SER 111 37.432 -4.043 0.285 825 HB3 SER 111 2HB SER 111 36.411 -4.267 -1.135 826 HG SER 111 HG SER 111 36.164 -2.358 0.932 827 H SER 112 H SER 112 36.947 -6.267 2.405 828 HA SER 112 HA SER 112 36.639 -4.344 4.539 829 HB2 SER 112 1HB SER 112 35.641 -5.937 6.129 830 HB3 SER 112 2HB SER 112 34.566 -5.646 4.761 831 HG SER 112 HG SER 112 34.708 -7.864 5.222 832 H GLY 113 H GLY 113 37.906 -4.953 6.470 833 HA2 GLY 113 1HA GLY 113 39.716 -7.157 6.369 834 HA3 GLY 113 2HA GLY 113 40.503 -5.664 5.877 Start of MODEL 18 1 H1 GLY 1 H GLY 1 -32.978 11.212 21.623 2 HA2 GLY 1 1HA GLY 1 -33.773 13.877 21.897 3 HA3 GLY 1 2HA GLY 1 -32.892 13.747 20.383 4 H SER 2 H SER 2 -33.664 11.270 19.483 5 HA SER 2 HA SER 2 -36.568 11.165 19.496 6 HB2 SER 2 1HB SER 2 -36.726 11.313 17.030 7 HB3 SER 2 2HB SER 2 -36.126 12.810 17.743 8 HG SER 2 HG SER 2 -34.724 10.848 16.289 9 H SER 3 H SER 3 -37.408 9.261 18.399 10 HA SER 3 HA SER 3 -36.257 6.905 19.103 11 HB2 SER 3 1HB SER 3 -38.578 7.229 18.174 12 HB3 SER 3 2HB SER 3 -37.864 7.234 16.561 13 HG SER 3 HG SER 3 -38.261 5.152 16.786 14 H GLY 4 H GLY 4 -34.429 5.911 18.591 15 HA2 GLY 4 1HA GLY 4 -33.499 5.923 15.823 16 HA3 GLY 4 2HA GLY 4 -32.416 6.614 17.022 17 H SER 5 H SER 5 -32.043 4.271 15.309 18 HA SER 5 HA SER 5 -31.718 2.227 17.408 19 HB2 SER 5 1HB SER 5 -31.816 0.548 15.539 20 HB3 SER 5 2HB SER 5 -33.325 1.419 15.807 21 HG SER 5 HG SER 5 -33.145 2.322 13.906 22 H SER 6 H SER 6 -30.012 0.508 16.428 23 HA SER 6 HA SER 6 -27.737 1.929 15.267 24 HB2 SER 6 1HB SER 6 -27.870 0.812 18.027 25 HB3 SER 6 2HB SER 6 -26.366 0.602 17.131 26 HG SER 6 HG SER 6 -26.624 2.590 18.441 27 H GLY 7 H GLY 7 -26.387 0.655 14.059 28 HA2 GLY 7 1HA GLY 7 -25.653 -1.857 14.008 29 HA3 GLY 7 2HA GLY 7 -27.343 -2.074 13.579 30 HA PRO 8 HA PRO 8 -26.280 -1.551 9.357 31 HB2 PRO 8 1HB PRO 8 -28.636 -0.628 8.374 32 HB3 PRO 8 2HB PRO 8 -28.394 -2.307 8.869 33 HG2 PRO 8 1HG PRO 8 -29.685 -0.058 10.365 34 HG3 PRO 8 2HG PRO 8 -30.208 -1.746 10.211 35 HD2 PRO 8 1HD PRO 8 -28.920 -0.813 12.403 36 HD3 PRO 8 2HD PRO 8 -28.734 -2.480 11.824 37 H ARG 9 H ARG 9 -26.947 1.038 11.400 38 HA ARG 9 HA ARG 9 -26.805 3.112 9.388 39 HB2 ARG 9 1HB ARG 9 -27.050 3.070 12.376 40 HB3 ARG 9 2HB ARG 9 -26.596 4.556 11.554 41 HG2 ARG 9 1HG ARG 9 -28.681 4.207 10.130 42 HG3 ARG 9 2HG ARG 9 -29.152 3.007 11.335 43 HD2 ARG 9 1HD ARG 9 -30.164 4.850 12.220 44 HD3 ARG 9 2HD ARG 9 -28.587 4.979 12.999 45 HE ARG 9 HE ARG 9 -28.250 6.922 11.859 46 HH11 ARG 9 2HH1 ARG 9 -30.704 5.083 10.212 47 HH12 ARG 9 1HH1 ARG 9 -31.050 6.330 9.060 48 HH21 ARG 9 2HH2 ARG 9 -28.695 8.571 10.347 49 HH22 ARG 9 1HH2 ARG 9 -29.905 8.313 9.137 50 H THR 10 H THR 10 -24.633 1.684 8.950 51 HA THR 10 HA THR 10 -22.474 3.417 9.909 52 HB THR 10 HB THR 10 -22.438 1.352 11.292 53 HG1 THR 10 1HG THR 10 -20.205 0.967 10.922 54 HG21 THR 10 1HG2 THR 10 -22.870 -0.612 10.330 55 HG22 THR 10 2HG2 THR 10 -21.321 -0.497 9.494 56 HG23 THR 10 3HG2 THR 10 -22.787 0.111 8.724 57 H VAL 11 H VAL 11 -20.342 2.465 8.658 58 HA VAL 11 HA VAL 11 -21.014 2.833 5.848 59 HB VAL 11 HB VAL 11 -18.696 3.264 5.466 60 HG11 VAL 11 1HG1 VAL 11 -19.568 5.225 6.278 61 HG12 VAL 11 2HG1 VAL 11 -19.919 4.540 7.866 62 HG13 VAL 11 3HG1 VAL 11 -18.260 4.951 7.428 63 HG21 VAL 11 1HG2 VAL 11 -18.351 1.898 8.085 64 HG22 VAL 11 2HG2 VAL 11 -17.419 1.739 6.596 65 HG23 VAL 11 3HG2 VAL 11 -17.190 3.147 7.633 66 H LYS 12 H LYS 12 -19.749 1.540 4.225 67 HA LYS 12 HA LYS 12 -20.276 -1.227 4.611 68 HB2 LYS 12 1HB LYS 12 -19.155 0.460 2.431 69 HB3 LYS 12 2HB LYS 12 -18.800 -1.262 2.382 70 HG2 LYS 12 1HG LYS 12 -21.058 -1.839 2.174 71 HG3 LYS 12 2HG LYS 12 -21.602 -0.242 2.693 72 HD2 LYS 12 1HD LYS 12 -21.225 0.702 0.645 73 HD3 LYS 12 2HD LYS 12 -19.913 -0.412 0.253 74 HE2 LYS 12 1HE LYS 12 -21.332 -2.018 -0.540 75 HE3 LYS 12 2HE LYS 12 -22.654 -1.527 0.518 76 HZ1 LYS 12 1HZ LYS 12 -22.699 -1.037 -2.045 77 HZ2 LYS 12 2HZ LYS 12 -21.812 0.328 -1.584 78 HZ3 LYS 12 3HZ LYS 12 -23.351 0.060 -0.934 79 H GLU 13 H GLU 13 -18.693 -2.964 4.360 80 HA GLU 13 HA GLU 13 -16.152 -2.277 5.677 81 HB2 GLU 13 1HB GLU 13 -16.120 -4.657 6.413 82 HB3 GLU 13 2HB GLU 13 -17.480 -3.741 7.047 83 HG2 GLU 13 1HG GLU 13 -18.823 -4.696 5.112 84 HG3 GLU 13 2HG GLU 13 -17.479 -5.813 4.881 85 H LEU 14 H LEU 14 -14.890 -1.867 3.889 86 HA LEU 14 HA LEU 14 -14.761 -3.807 1.733 87 HB2 LEU 14 1HB LEU 14 -13.024 -1.381 2.101 88 HB3 LEU 14 2HB LEU 14 -13.360 -2.259 0.610 89 HG LEU 14 HG LEU 14 -15.411 -0.657 2.135 90 HD11 LEU 14 1HD1 LEU 14 -13.262 0.264 0.542 91 HD12 LEU 14 2HD1 LEU 14 -14.602 1.189 1.218 92 HD13 LEU 14 3HD1 LEU 14 -14.747 0.475 -0.387 93 HD21 LEU 14 1HD2 LEU 14 -16.916 -1.268 0.580 94 HD22 LEU 14 2HD2 LEU 14 -15.837 -2.644 0.346 95 HD23 LEU 14 3HD2 LEU 14 -15.731 -1.248 -0.727 96 H THR 15 H THR 15 -13.004 -5.086 1.236 97 HA THR 15 HA THR 15 -11.114 -5.504 3.442 98 HB THR 15 HB THR 15 -11.840 -7.322 1.136 99 HG1 THR 15 1HG THR 15 -12.621 -8.577 3.064 100 HG21 THR 15 1HG2 THR 15 -10.133 -7.967 3.538 101 HG22 THR 15 2HG2 THR 15 -9.472 -7.521 1.965 102 HG23 THR 15 3HG2 THR 15 -10.444 -8.983 2.131 103 H VAL 16 H VAL 16 -9.531 -3.996 3.033 104 HA VAL 16 HA VAL 16 -8.352 -3.771 0.398 105 HB VAL 16 HB VAL 16 -7.567 -2.472 3.010 106 HG11 VAL 16 1HG1 VAL 16 -6.155 -1.016 1.717 107 HG12 VAL 16 2HG1 VAL 16 -5.706 -2.689 1.380 108 HG13 VAL 16 3HG1 VAL 16 -6.671 -1.782 0.215 109 HG21 VAL 16 1HG2 VAL 16 -8.574 -0.683 1.013 110 HG22 VAL 16 2HG2 VAL 16 -9.739 -1.977 1.294 111 HG23 VAL 16 3HG2 VAL 16 -9.179 -0.987 2.641 112 H SER 17 H SER 17 -6.680 -4.911 -0.316 113 HA SER 17 HA SER 17 -4.758 -6.015 1.598 114 HB2 SER 17 1HB SER 17 -6.545 -7.735 0.988 115 HB3 SER 17 2HB SER 17 -5.869 -7.709 -0.640 116 HG SER 17 HG SER 17 -4.295 -8.912 0.038 117 H ALA 18 H ALA 18 -2.711 -5.787 0.948 118 HA ALA 18 HA ALA 18 -2.183 -4.541 -1.601 119 HB1 ALA 18 1HB ALA 18 -0.536 -5.173 0.815 120 HB2 ALA 18 2HB ALA 18 0.239 -4.705 -0.699 121 HB3 ALA 18 3HB ALA 18 -0.898 -3.609 0.085 122 H GLY 19 H GLY 19 -1.618 -7.663 -0.070 123 HA2 GLY 19 1HA GLY 19 -1.727 -9.398 -2.024 124 HA3 GLY 19 2HA GLY 19 -0.217 -8.614 -2.464 125 H ASP 20 H ASP 20 1.507 -8.619 -0.805 126 HA ASP 20 HA ASP 20 1.434 -10.312 1.440 127 HB2 ASP 20 1HB ASP 20 1.232 -12.061 -0.322 128 HB3 ASP 20 2HB ASP 20 2.783 -11.538 -0.973 129 H ASN 21 H ASN 21 3.617 -10.683 2.361 130 HA ASN 21 HA ASN 21 5.122 -8.365 2.449 131 HB2 ASN 21 1HB ASN 21 6.886 -9.761 3.529 132 HB3 ASN 21 2HB ASN 21 5.281 -10.014 4.207 133 HD21 ASN 21 1HD2 ASN 21 4.793 -12.042 4.572 134 HD22 ASN 21 2HD2 ASN 21 5.393 -13.411 3.707 135 H LEU 22 H LEU 22 6.779 -7.531 1.312 136 HA LEU 22 HA LEU 22 7.783 -9.112 -0.961 137 HB2 LEU 22 1HB LEU 22 7.700 -6.111 -0.723 138 HB3 LEU 22 2HB LEU 22 8.127 -7.054 -2.149 139 HG LEU 22 HG LEU 22 5.989 -6.339 -2.643 140 HD11 LEU 22 1HD1 LEU 22 5.530 -8.955 -1.217 141 HD12 LEU 22 2HD1 LEU 22 6.175 -8.779 -2.849 142 HD13 LEU 22 3HD1 LEU 22 4.526 -8.264 -2.492 143 HD21 LEU 22 1HD2 LEU 22 4.124 -6.530 -0.900 144 HD22 LEU 22 2HD2 LEU 22 5.307 -5.237 -0.698 145 HD23 LEU 22 3HD2 LEU 22 5.423 -6.700 0.282 146 H ILE 23 H ILE 23 9.961 -9.232 -1.339 147 HA ILE 23 HA ILE 23 11.736 -7.854 0.560 148 HB ILE 23 HB ILE 23 11.923 -10.755 -0.257 149 HG12 ILE 23 1HG1 ILE 23 11.642 -9.590 2.513 150 HG13 ILE 23 2HG1 ILE 23 10.259 -10.086 1.545 151 HG21 ILE 23 1HG2 ILE 23 13.795 -9.085 1.415 152 HG22 ILE 23 2HG2 ILE 23 13.900 -10.833 1.209 153 HG23 ILE 23 3HG2 ILE 23 14.133 -9.766 -0.176 154 HD11 ILE 23 1HD1 ILE 23 10.815 -11.837 3.074 155 HD12 ILE 23 2HD1 ILE 23 11.220 -12.364 1.440 156 HD13 ILE 23 3HD1 ILE 23 12.495 -11.833 2.536 157 H ILE 24 H ILE 24 13.001 -6.551 -0.577 158 HA ILE 24 HA ILE 24 13.815 -7.353 -3.284 159 HB ILE 24 HB ILE 24 14.638 -4.837 -3.236 160 HG12 ILE 24 1HG1 ILE 24 12.299 -4.768 -1.323 161 HG13 ILE 24 2HG1 ILE 24 13.977 -4.604 -0.818 162 HG21 ILE 24 1HG2 ILE 24 12.903 -5.946 -4.693 163 HG22 ILE 24 2HG2 ILE 24 11.702 -5.427 -3.512 164 HG23 ILE 24 3HG2 ILE 24 12.657 -4.227 -4.381 165 HD11 ILE 24 1HD1 ILE 24 12.723 -2.778 -2.839 166 HD12 ILE 24 2HD1 ILE 24 12.658 -2.472 -1.103 167 HD13 ILE 24 3HD1 ILE 24 14.215 -2.549 -1.927 168 H THR 25 H THR 25 16.001 -7.037 -3.958 169 HA THR 25 HA THR 25 17.949 -6.965 -1.748 170 HB THR 25 HB THR 25 18.208 -8.707 -4.203 171 HG1 THR 25 1HG THR 25 17.770 -9.734 -1.619 172 HG21 THR 25 1HG2 THR 25 19.968 -9.804 -2.770 173 HG22 THR 25 2HG2 THR 25 19.807 -8.442 -1.661 174 HG23 THR 25 3HG2 THR 25 20.354 -8.172 -3.316 175 H LEU 26 H LEU 26 19.471 -5.465 -1.970 176 HA LEU 26 HA LEU 26 19.565 -3.573 -3.959 177 HB2 LEU 26 1HB LEU 26 21.632 -4.568 -2.036 178 HB3 LEU 26 2HB LEU 26 22.027 -3.312 -3.207 179 HG LEU 26 HG LEU 26 19.835 -3.099 -1.145 180 HD11 LEU 26 1HD1 LEU 26 22.437 -1.620 -1.069 181 HD12 LEU 26 2HD1 LEU 26 22.277 -3.214 -0.332 182 HD13 LEU 26 3HD1 LEU 26 21.263 -1.882 0.221 183 HD21 LEU 26 1HD2 LEU 26 21.051 -1.106 -3.053 184 HD22 LEU 26 2HD2 LEU 26 19.943 -0.695 -1.744 185 HD23 LEU 26 3HD2 LEU 26 19.400 -1.724 -3.071 186 HA PRO 27 HA PRO 27 21.416 -2.235 -4.762 187 HB2 PRO 27 1HB PRO 27 21.310 -1.247 -7.288 188 HB3 PRO 27 2HB PRO 27 22.817 -1.756 -6.519 189 HG2 PRO 27 1HG PRO 27 21.093 -3.234 -8.469 190 HG3 PRO 27 2HG PRO 27 22.860 -3.095 -8.419 191 HD2 PRO 27 1HD PRO 27 21.543 -5.278 -7.506 192 HD3 PRO 27 2HD PRO 27 23.067 -4.712 -6.790 193 H ASP 28 H ASP 28 19.224 -4.157 -6.595 194 HA ASP 28 HA ASP 28 17.236 -2.376 -7.309 195 HB2 ASP 28 1HB ASP 28 17.285 -5.265 -6.587 196 HB3 ASP 28 2HB ASP 28 15.714 -4.471 -6.662 197 H ASN 29 H ASN 29 16.759 -0.753 -5.903 198 HA ASN 29 HA ASN 29 15.694 -1.542 -3.271 199 HB2 ASN 29 1HB ASN 29 16.206 0.902 -2.669 200 HB3 ASN 29 2HB ASN 29 17.575 -0.194 -2.832 201 HD21 ASN 29 1HD2 ASN 29 18.771 1.812 -3.097 202 HD22 ASN 29 2HD2 ASN 29 18.864 2.529 -4.666 203 H GLU 30 H GLU 30 14.337 -1.334 -5.927 204 HA GLU 30 HA GLU 30 12.361 0.742 -5.245 205 HB2 GLU 30 1HB GLU 30 12.787 -0.489 -7.967 206 HB3 GLU 30 2HB GLU 30 11.811 0.918 -7.570 207 HG2 GLU 30 1HG GLU 30 13.834 2.146 -6.956 208 HG3 GLU 30 2HG GLU 30 14.809 0.737 -7.367 209 H VAL 31 H VAL 31 10.311 0.154 -4.861 210 HA VAL 31 HA VAL 31 9.448 -2.552 -5.613 211 HB VAL 31 HB VAL 31 9.960 -2.921 -3.361 212 HG11 VAL 31 1HG1 VAL 31 10.496 -0.811 -2.517 213 HG12 VAL 31 2HG1 VAL 31 8.905 -0.150 -2.900 214 HG13 VAL 31 3HG1 VAL 31 9.089 -1.298 -1.574 215 HG21 VAL 31 1HG2 VAL 31 7.063 -2.080 -3.350 216 HG22 VAL 31 2HG2 VAL 31 7.671 -3.612 -3.976 217 HG23 VAL 31 3HG2 VAL 31 7.827 -3.237 -2.260 218 H GLU 32 H GLU 32 7.307 -2.758 -6.152 219 HA GLU 32 HA GLU 32 5.715 -0.277 -6.119 220 HB2 GLU 32 1HB GLU 32 6.298 -0.707 -8.388 221 HB3 GLU 32 2HB GLU 32 5.924 -2.417 -8.232 222 HG2 GLU 32 1HG GLU 32 3.634 -2.052 -8.281 223 HG3 GLU 32 2HG GLU 32 3.798 -0.351 -7.850 224 H LEU 33 H LEU 33 4.173 -0.473 -4.636 225 HA LEU 33 HA LEU 33 2.954 -3.096 -4.164 226 HB2 LEU 33 1HB LEU 33 2.421 -0.635 -2.543 227 HB3 LEU 33 2HB LEU 33 2.286 -2.327 -2.066 228 HG LEU 33 HG LEU 33 4.975 -1.200 -2.717 229 HD11 LEU 33 1HD1 LEU 33 4.037 0.442 -1.208 230 HD12 LEU 33 2HD1 LEU 33 5.238 -0.536 -0.364 231 HD13 LEU 33 3HD1 LEU 33 3.519 -0.832 -0.103 232 HD21 LEU 33 1HD2 LEU 33 5.134 -2.829 -0.515 233 HD22 LEU 33 2HD2 LEU 33 5.427 -3.322 -2.183 234 HD23 LEU 33 3HD2 LEU 33 3.839 -3.570 -1.455 235 H LYS 34 H LYS 34 0.767 -3.459 -4.350 236 HA LYS 34 HA LYS 34 -0.830 -1.283 -5.529 237 HB2 LYS 34 1HB LYS 34 -0.149 -2.952 -7.235 238 HB3 LYS 34 2HB LYS 34 -0.949 -4.206 -6.297 239 HG2 LYS 34 1HG LYS 34 -3.092 -3.163 -6.642 240 HG3 LYS 34 2HG LYS 34 -2.331 -1.799 -7.465 241 HD2 LYS 34 1HD LYS 34 -1.390 -3.615 -9.062 242 HD3 LYS 34 2HD LYS 34 -2.678 -4.624 -8.400 243 HE2 LYS 34 1HE LYS 34 -3.713 -3.691 -10.237 244 HE3 LYS 34 2HE LYS 34 -4.189 -2.576 -8.957 245 HZ1 LYS 34 1HZ LYS 34 -2.653 -2.075 -11.296 246 HZ2 LYS 34 2HZ LYS 34 -1.802 -1.609 -9.911 247 HZ3 LYS 34 3HZ LYS 34 -3.341 -0.974 -10.211 248 H ALA 35 H ALA 35 -2.793 -0.950 -4.659 249 HA ALA 35 HA ALA 35 -3.576 -2.645 -2.413 250 HB1 ALA 35 1HB ALA 35 -4.776 -0.018 -3.273 251 HB2 ALA 35 2HB ALA 35 -5.004 -0.847 -1.733 252 HB3 ALA 35 3HB ALA 35 -3.427 -0.174 -2.146 253 H PHE 36 H PHE 36 -5.206 -4.048 -2.509 254 HA PHE 36 HA PHE 36 -6.985 -3.945 -4.853 255 HB2 PHE 36 1HB PHE 36 -5.874 -6.230 -3.255 256 HB3 PHE 36 2HB PHE 36 -7.369 -6.431 -4.163 257 HD1 PHE 36 1HD PHE 36 -7.359 -6.211 -6.621 258 HD2 PHE 36 2HD PHE 36 -3.767 -6.149 -4.339 259 HE1 PHE 36 1HE PHE 36 -6.059 -6.662 -8.661 260 HE2 PHE 36 2HE PHE 36 -2.461 -6.599 -6.375 261 HZ PHE 36 HZ PHE 36 -3.607 -6.856 -8.540 262 H VAL 37 H VAL 37 -9.060 -3.513 -4.521 263 HA VAL 37 HA VAL 37 -10.110 -3.726 -1.778 264 HB VAL 37 HB VAL 37 -11.092 -1.973 -4.035 265 HG11 VAL 37 1HG1 VAL 37 -12.118 -1.004 -1.674 266 HG12 VAL 37 2HG1 VAL 37 -12.995 -1.968 -2.864 267 HG13 VAL 37 3HG1 VAL 37 -12.241 -2.751 -1.474 268 HG21 VAL 37 1HG2 VAL 37 -9.769 -0.323 -3.302 269 HG22 VAL 37 2HG2 VAL 37 -10.085 -0.698 -1.608 270 HG23 VAL 37 3HG2 VAL 37 -8.855 -1.597 -2.496 271 H ALA 38 H ALA 38 -11.640 -5.182 -1.389 272 HA ALA 38 HA ALA 38 -13.231 -6.193 -3.654 273 HB1 ALA 38 1HB ALA 38 -11.705 -7.927 -3.117 274 HB2 ALA 38 2HB ALA 38 -12.001 -7.745 -1.387 275 HB3 ALA 38 3HB ALA 38 -13.263 -8.394 -2.434 276 HA PRO 39 HA PRO 39 -15.003 -6.837 -4.293 277 HB2 PRO 39 1HB PRO 39 -17.136 -5.367 -5.104 278 HB3 PRO 39 2HB PRO 39 -17.299 -6.931 -4.297 279 HG2 PRO 39 1HG PRO 39 -17.544 -4.176 -3.153 280 HG3 PRO 39 2HG PRO 39 -18.556 -5.603 -2.862 281 HD2 PRO 39 1HD PRO 39 -16.634 -4.802 -1.131 282 HD3 PRO 39 2HD PRO 39 -17.064 -6.510 -1.358 283 H ALA 40 H ALA 40 -14.478 -5.771 -6.249 284 HA ALA 40 HA ALA 40 -12.995 -3.339 -5.890 285 HB1 ALA 40 1HB ALA 40 -12.324 -5.265 -7.378 286 HB2 ALA 40 2HB ALA 40 -13.566 -4.714 -8.504 287 HB3 ALA 40 3HB ALA 40 -12.212 -3.659 -8.098 288 HA PRO 41 HA PRO 41 -16.099 -0.432 -7.024 289 HB2 PRO 41 1HB PRO 41 -14.511 1.578 -7.923 290 HB3 PRO 41 2HB PRO 41 -14.677 1.179 -6.209 291 HG2 PRO 41 1HG PRO 41 -12.508 0.422 -8.128 292 HG3 PRO 41 2HG PRO 41 -12.373 0.978 -6.450 293 HD2 PRO 41 1HD PRO 41 -12.182 -1.633 -7.138 294 HD3 PRO 41 2HD PRO 41 -12.864 -1.102 -5.588 295 HA PRO 42 HA PRO 42 -16.911 -0.824 -11.334 296 HB2 PRO 42 1HB PRO 42 -18.449 1.374 -11.747 297 HB3 PRO 42 2HB PRO 42 -19.025 -0.050 -10.872 298 HG2 PRO 42 1HG PRO 42 -17.982 2.541 -9.795 299 HG3 PRO 42 2HG PRO 42 -19.377 1.586 -9.258 300 HD2 PRO 42 1HD PRO 42 -16.991 1.527 -7.978 301 HD3 PRO 42 2HD PRO 42 -18.068 0.118 -8.056 302 H VAL 43 H VAL 43 -17.264 1.078 -13.234 303 HA VAL 43 HA VAL 43 -14.557 1.988 -13.678 304 HB VAL 43 HB VAL 43 -15.682 1.007 -15.558 305 HG11 VAL 43 1HG1 VAL 43 -17.795 3.101 -15.087 306 HG12 VAL 43 2HG1 VAL 43 -17.687 2.126 -16.554 307 HG13 VAL 43 3HG1 VAL 43 -17.976 1.350 -14.997 308 HG21 VAL 43 1HG2 VAL 43 -15.407 2.748 -17.221 309 HG22 VAL 43 2HG2 VAL 43 -15.509 3.991 -15.974 310 HG23 VAL 43 3HG2 VAL 43 -14.140 2.879 -16.001 311 H GLU 44 H GLU 44 -17.659 3.369 -12.864 312 HA GLU 44 HA GLU 44 -16.767 6.087 -13.316 313 HB2 GLU 44 1HB GLU 44 -19.318 4.904 -12.228 314 HB3 GLU 44 2HB GLU 44 -19.021 6.636 -12.267 315 HG2 GLU 44 1HG GLU 44 -18.803 6.569 -14.682 316 HG3 GLU 44 2HG GLU 44 -19.035 4.822 -14.668 317 H THR 45 H THR 45 -18.182 4.507 -10.450 318 HA THR 45 HA THR 45 -17.105 6.398 -8.640 319 HB THR 45 HB THR 45 -18.120 3.609 -8.058 320 HG1 THR 45 1HG THR 45 -19.712 4.909 -9.038 321 HG21 THR 45 1HG2 THR 45 -16.700 4.877 -6.306 322 HG22 THR 45 2HG2 THR 45 -18.248 4.196 -5.805 323 HG23 THR 45 3HG2 THR 45 -18.112 5.921 -6.147 324 H THR 46 H THR 46 -15.220 6.468 -7.572 325 HA THR 46 HA THR 46 -13.493 4.094 -7.577 326 HB THR 46 HB THR 46 -11.521 5.501 -8.090 327 HG1 THR 46 1HG THR 46 -13.221 7.519 -9.062 328 HG21 THR 46 1HG2 THR 46 -13.698 4.903 -9.960 329 HG22 THR 46 2HG2 THR 46 -11.976 4.535 -10.070 330 HG23 THR 46 3HG2 THR 46 -12.569 6.130 -10.535 331 H TYR 47 H TYR 47 -12.132 3.896 -5.815 332 HA TYR 47 HA TYR 47 -12.850 5.536 -3.523 333 HB2 TYR 47 1HB TYR 47 -11.057 3.103 -3.655 334 HB3 TYR 47 2HB TYR 47 -11.689 3.856 -2.195 335 HD1 TYR 47 2HD TYR 47 -14.475 4.270 -2.693 336 HD2 TYR 47 1HD TYR 47 -12.017 1.023 -3.924 337 HE1 TYR 47 2HE TYR 47 -16.457 2.817 -2.796 338 HE2 TYR 47 1HE TYR 47 -13.992 -0.439 -4.032 339 HH TYR 47 HH TYR 47 -16.617 -0.092 -2.614 340 H ASN 48 H ASN 48 -10.998 6.040 -1.958 341 HA ASN 48 HA ASN 48 -8.856 7.331 -3.500 342 HB2 ASN 48 1HB ASN 48 -10.241 7.998 -0.931 343 HB3 ASN 48 2HB ASN 48 -8.601 8.580 -1.198 344 HD21 ASN 48 1HD2 ASN 48 -10.751 10.284 -0.871 345 HD22 ASN 48 2HD2 ASN 48 -11.038 11.121 -2.355 346 H TYR 49 H TYR 49 -6.829 6.640 -3.313 347 HA TYR 49 HA TYR 49 -6.219 4.670 -1.226 348 HB2 TYR 49 1HB TYR 49 -4.640 5.309 -3.724 349 HB3 TYR 49 2HB TYR 49 -4.382 3.953 -2.631 350 HD1 TYR 49 1HD TYR 49 -5.931 2.053 -2.620 351 HD2 TYR 49 2HD TYR 49 -6.409 5.273 -5.361 352 HE1 TYR 49 1HE TYR 49 -7.455 0.672 -3.969 353 HE2 TYR 49 2HE TYR 49 -7.935 3.901 -6.716 354 HH TYR 49 HH TYR 49 -8.317 0.529 -6.206 355 H GLU 50 H GLU 50 -5.342 5.528 0.539 356 HA GLU 50 HA GLU 50 -3.317 7.643 0.203 357 HB2 GLU 50 1HB GLU 50 -5.154 8.626 1.336 358 HB3 GLU 50 2HB GLU 50 -5.361 7.223 2.375 359 HG2 GLU 50 1HG GLU 50 -3.534 7.771 3.697 360 HG3 GLU 50 2HG GLU 50 -2.844 8.833 2.471 361 H TRP 51 H TRP 51 -1.405 6.636 0.333 362 HA TRP 51 HA TRP 51 -1.014 4.439 2.195 363 HB2 TRP 51 1HB TRP 51 0.791 5.702 0.125 364 HB3 TRP 51 2HB TRP 51 1.290 4.379 1.176 365 HD1 TRP 51 HD TRP 51 -1.043 5.137 -1.773 366 HE1 TRP 51 1HE TRP 51 -1.692 2.912 -2.892 367 HE3 TRP 51 3HE TRP 51 1.033 1.898 1.594 368 HZ2 TRP 51 2HZ TRP 51 -1.368 0.150 -2.412 369 HZ3 TRP 51 3HZ TRP 51 0.819 -0.520 1.191 370 HH2 TRP 51 HH TRP 51 -0.358 -1.374 -0.771 371 H ASN 52 H ASN 52 0.794 4.413 3.695 372 HA ASN 52 HA ASN 52 2.066 6.878 4.432 373 HB2 ASN 52 1HB ASN 52 -0.270 5.836 5.982 374 HB3 ASN 52 2HB ASN 52 1.066 6.578 6.859 375 HD21 ASN 52 1HD2 ASN 52 -1.814 7.134 5.321 376 HD22 ASN 52 2HD2 ASN 52 -1.681 8.842 5.097 377 H LEU 53 H LEU 53 3.897 6.532 5.601 378 HA LEU 53 HA LEU 53 4.639 3.753 6.046 379 HB2 LEU 53 1HB LEU 53 6.154 5.298 4.852 380 HB3 LEU 53 2HB LEU 53 6.285 6.265 6.320 381 HG LEU 53 HG LEU 53 7.341 4.346 7.457 382 HD11 LEU 53 1HD1 LEU 53 8.114 2.445 6.112 383 HD12 LEU 53 2HD1 LEU 53 7.213 3.067 4.729 384 HD13 LEU 53 3HD1 LEU 53 6.354 2.539 6.176 385 HD21 LEU 53 1HD2 LEU 53 9.139 4.472 5.213 386 HD22 LEU 53 2HD2 LEU 53 9.296 5.185 6.819 387 HD23 LEU 53 3HD2 LEU 53 8.444 6.059 5.545 388 H ILE 54 H ILE 54 3.528 3.172 7.898 389 HA ILE 54 HA ILE 54 3.746 4.766 10.301 390 HB ILE 54 HB ILE 54 2.350 3.125 11.357 391 HG12 ILE 54 1HG1 ILE 54 3.634 1.266 9.863 392 HG13 ILE 54 2HG1 ILE 54 2.121 0.961 10.710 393 HG21 ILE 54 1HG2 ILE 54 1.208 4.695 9.915 394 HG22 ILE 54 2HG2 ILE 54 1.458 3.641 8.524 395 HG23 ILE 54 3HG2 ILE 54 0.405 3.127 9.842 396 HD11 ILE 54 1HD1 ILE 54 2.457 1.679 7.809 397 HD12 ILE 54 2HD1 ILE 54 1.956 0.125 8.476 398 HD13 ILE 54 3HD1 ILE 54 0.905 1.532 8.633 399 H SER 55 H SER 55 5.376 2.093 8.845 400 HA SER 55 HA SER 55 6.969 1.747 11.301 401 HB2 SER 55 1HB SER 55 5.473 -0.219 10.426 402 HB3 SER 55 2HB SER 55 6.759 -0.419 9.237 403 HG SER 55 HG SER 55 8.028 -0.194 11.462 404 H HIS 56 H HIS 56 9.139 1.914 11.137 405 HA HIS 56 HA HIS 56 10.641 1.511 8.793 406 HB2 HIS 56 1HB HIS 56 11.250 3.805 8.227 407 HB3 HIS 56 2HB HIS 56 9.512 3.578 8.059 408 HD1 HIS 56 1HD HIS 56 11.949 4.928 10.651 409 HD2 HIS 56 2HD HIS 56 8.058 5.488 9.307 410 HE1 HIS 56 1HE HIS 56 11.069 6.897 11.943 411 HE2 HIS 56 2HE HIS 56 8.685 7.164 11.175 412 HA PRO 57 HA PRO 57 13.763 1.378 11.891 413 HB2 PRO 57 1HB PRO 57 15.962 1.500 10.303 414 HB3 PRO 57 2HB PRO 57 14.947 0.058 10.430 415 HG2 PRO 57 1HG PRO 57 14.966 2.181 8.320 416 HG3 PRO 57 2HG PRO 57 14.849 0.421 8.135 417 HD2 PRO 57 1HD PRO 57 12.689 2.047 7.992 418 HD3 PRO 57 2HD PRO 57 12.598 0.392 8.628 419 H THR 58 H THR 58 15.791 2.567 12.561 420 HA THR 58 HA THR 58 15.233 5.363 12.683 421 HB THR 58 HB THR 58 16.368 3.908 14.480 422 HG1 THR 58 1HG THR 58 17.137 6.511 13.693 423 HG21 THR 58 1HG2 THR 58 18.839 4.679 12.932 424 HG22 THR 58 2HG2 THR 58 18.132 3.063 12.903 425 HG23 THR 58 3HG2 THR 58 18.750 3.729 14.414 426 H ASP 59 H ASP 59 17.417 3.354 10.831 427 HA ASP 59 HA ASP 59 19.180 5.339 9.919 428 HB2 ASP 59 1HB ASP 59 19.866 3.774 8.255 429 HB3 ASP 59 2HB ASP 59 19.462 2.837 9.691 430 H TYR 60 H TYR 60 15.983 4.390 8.863 431 HA TYR 60 HA TYR 60 16.132 6.228 6.587 432 HB2 TYR 60 1HB TYR 60 15.171 3.809 6.493 433 HB3 TYR 60 2HB TYR 60 13.745 4.526 7.236 434 HD1 TYR 60 1HD TYR 60 15.861 4.477 4.225 435 HD2 TYR 60 2HD TYR 60 12.279 5.955 5.982 436 HE1 TYR 60 1HE TYR 60 15.076 5.194 2.007 437 HE2 TYR 60 2HE TYR 60 11.484 6.675 3.769 438 HH TYR 60 HH TYR 60 13.133 7.256 1.322 439 H GLN 61 H GLN 61 15.026 8.103 6.494 440 HA GLN 61 HA GLN 61 13.888 9.127 8.927 441 HB2 GLN 61 1HB GLN 61 14.410 10.258 6.197 442 HB3 GLN 61 2HB GLN 61 13.408 11.137 7.345 443 HG2 GLN 61 1HG GLN 61 15.368 10.866 8.969 444 HG3 GLN 61 2HG GLN 61 16.311 10.435 7.544 445 HE21 GLN 61 1HE2 GLN 61 15.131 12.942 9.445 446 HE22 GLN 61 2HE2 GLN 61 15.539 14.262 8.408 447 H GLY 62 H GLY 62 12.646 8.570 5.630 448 HA2 GLY 62 1HA GLY 62 10.478 7.421 5.450 449 HA3 GLY 62 2HA GLY 62 9.944 8.392 6.814 450 H GLU 63 H GLU 63 10.797 8.459 3.406 451 HA GLU 63 HA GLU 63 9.233 10.942 3.149 452 HB2 GLU 63 1HB GLU 63 11.645 10.183 1.492 453 HB3 GLU 63 2HB GLU 63 10.704 11.661 1.348 454 HG2 GLU 63 1HG GLU 63 11.381 12.283 3.632 455 HG3 GLU 63 2HG GLU 63 12.381 10.834 3.706 456 H ILE 64 H ILE 64 7.351 10.279 2.315 457 HA ILE 64 HA ILE 64 7.420 8.864 -0.243 458 HB ILE 64 HB ILE 64 5.589 8.025 2.007 459 HG12 ILE 64 1HG1 ILE 64 7.922 6.525 0.798 460 HG13 ILE 64 2HG1 ILE 64 7.972 7.363 2.345 461 HG21 ILE 64 1HG2 ILE 64 5.924 7.104 -0.832 462 HG22 ILE 64 2HG2 ILE 64 5.152 6.106 0.399 463 HG23 ILE 64 3HG2 ILE 64 4.462 7.672 -0.027 464 HD11 ILE 64 1HD1 ILE 64 7.567 5.214 3.009 465 HD12 ILE 64 2HD1 ILE 64 5.921 5.839 2.890 466 HD13 ILE 64 3HD1 ILE 64 6.583 4.844 1.593 467 H LYS 65 H LYS 65 5.326 8.966 -1.388 468 HA LYS 65 HA LYS 65 4.005 11.529 -0.835 469 HB2 LYS 65 1HB LYS 65 4.472 9.927 -3.321 470 HB3 LYS 65 2HB LYS 65 3.120 11.051 -3.262 471 HG2 LYS 65 1HG LYS 65 4.980 12.716 -2.423 472 HG3 LYS 65 2HG LYS 65 6.041 11.589 -3.273 473 HD2 LYS 65 1HD LYS 65 4.918 11.947 -5.332 474 HD3 LYS 65 2HD LYS 65 3.590 12.797 -4.538 475 HE2 LYS 65 1HE LYS 65 6.416 13.811 -4.445 476 HE3 LYS 65 2HE LYS 65 5.326 14.208 -5.772 477 HZ1 LYS 65 1HZ LYS 65 3.921 14.693 -3.442 478 HZ2 LYS 65 2HZ LYS 65 4.546 15.839 -4.517 479 HZ3 LYS 65 3HZ LYS 65 5.462 15.343 -3.185 480 H GLN 66 H GLN 66 3.356 9.088 0.605 481 HA GLN 66 HA GLN 66 1.598 7.694 1.109 482 HB2 GLN 66 1HB GLN 66 0.139 10.276 0.520 483 HB3 GLN 66 2HB GLN 66 -0.496 8.938 1.470 484 HG2 GLN 66 1HG GLN 66 0.955 9.339 3.237 485 HG3 GLN 66 2HG GLN 66 2.059 10.286 2.242 486 HE21 GLN 66 1HE2 GLN 66 1.994 11.963 3.769 487 HE22 GLN 66 2HE2 GLN 66 0.637 13.027 3.882 488 H GLY 67 H GLY 67 2.354 7.682 -1.726 489 HA2 GLY 67 1HA GLY 67 1.450 7.222 -3.832 490 HA3 GLY 67 2HA GLY 67 0.739 5.926 -2.883 491 H HIS 68 H HIS 68 0.199 9.107 -4.257 492 HA HIS 68 HA HIS 68 -2.470 9.432 -3.398 493 HB2 HIS 68 1HB HIS 68 -0.786 10.641 -5.556 494 HB3 HIS 68 2HB HIS 68 -2.521 10.940 -5.555 495 HD1 HIS 68 1HD HIS 68 -0.670 10.695 -2.317 496 HD2 HIS 68 2HD HIS 68 -2.161 13.627 -4.856 497 HE1 HIS 68 1HE HIS 68 -0.550 12.840 -1.011 498 HE2 HIS 68 2HE HIS 68 -1.536 14.585 -2.536 499 H LYS 69 H LYS 69 -1.162 7.177 -5.458 500 HA LYS 69 HA LYS 69 -3.697 6.853 -6.925 501 HB2 LYS 69 1HB LYS 69 -0.947 5.829 -7.656 502 HB3 LYS 69 2HB LYS 69 -2.414 5.591 -8.598 503 HG2 LYS 69 1HG LYS 69 -1.179 8.267 -7.980 504 HG3 LYS 69 2HG LYS 69 -0.969 7.374 -9.488 505 HD2 LYS 69 1HD LYS 69 -3.360 7.492 -9.915 506 HD3 LYS 69 2HD LYS 69 -3.611 8.320 -8.376 507 HE2 LYS 69 1HE LYS 69 -1.801 9.415 -10.510 508 HE3 LYS 69 2HE LYS 69 -3.530 9.758 -10.481 509 HZ1 LYS 69 1HZ LYS 69 -1.417 10.765 -8.777 510 HZ2 LYS 69 2HZ LYS 69 -2.837 10.334 -7.966 511 HZ3 LYS 69 3HZ LYS 69 -2.889 11.476 -9.213 512 H GLN 70 H GLN 70 -3.722 4.341 -7.699 513 HA GLN 70 HA GLN 70 -4.256 2.892 -5.302 514 HB2 GLN 70 1HB GLN 70 -5.588 2.610 -7.360 515 HB3 GLN 70 2HB GLN 70 -4.186 1.916 -8.163 516 HG2 GLN 70 1HG GLN 70 -4.193 0.136 -6.383 517 HG3 GLN 70 2HG GLN 70 -5.759 0.768 -5.877 518 HE21 GLN 70 1HE2 GLN 70 -5.400 -1.841 -6.742 519 HE22 GLN 70 2HE2 GLN 70 -6.239 -2.058 -8.236 520 H THR 71 H THR 71 -1.494 3.286 -7.263 521 HA THR 71 HA THR 71 -0.194 1.007 -5.918 522 HB THR 71 HB THR 71 1.438 1.297 -8.001 523 HG1 THR 71 1HG THR 71 -1.084 1.903 -9.161 524 HG21 THR 71 1HG2 THR 71 -0.820 -0.405 -7.379 525 HG22 THR 71 2HG2 THR 71 0.734 -0.821 -8.102 526 HG23 THR 71 3HG2 THR 71 -0.588 -0.253 -9.120 527 H LEU 72 H LEU 72 1.750 1.358 -4.943 528 HA LEU 72 HA LEU 72 2.781 4.118 -5.020 529 HB2 LEU 72 1HB LEU 72 1.818 3.653 -2.871 530 HB3 LEU 72 2HB LEU 72 2.716 2.141 -2.748 531 HG LEU 72 HG LEU 72 4.789 3.339 -2.477 532 HD11 LEU 72 1HD1 LEU 72 3.177 5.870 -2.761 533 HD12 LEU 72 2HD1 LEU 72 4.274 5.217 -3.977 534 HD13 LEU 72 3HD1 LEU 72 4.904 5.755 -2.420 535 HD21 LEU 72 1HD2 LEU 72 2.993 3.073 -0.577 536 HD22 LEU 72 2HD2 LEU 72 2.962 4.835 -0.661 537 HD23 LEU 72 3HD2 LEU 72 4.472 3.994 -0.305 538 H ASN 73 H ASN 73 4.795 4.367 -5.727 539 HA ASN 73 HA ASN 73 6.552 2.001 -5.790 540 HB2 ASN 73 1HB ASN 73 7.027 4.282 -7.648 541 HB3 ASN 73 2HB ASN 73 7.305 2.560 -7.889 542 HD21 ASN 73 1HD2 ASN 73 4.971 1.392 -7.485 543 HD22 ASN 73 2HD2 ASN 73 3.766 1.983 -8.572 544 H LEU 74 H LEU 74 8.437 2.131 -4.750 545 HA LEU 74 HA LEU 74 9.284 4.772 -3.760 546 HB2 LEU 74 1HB LEU 74 9.289 2.056 -2.571 547 HB3 LEU 74 2HB LEU 74 10.636 3.117 -2.166 548 HG LEU 74 HG LEU 74 8.777 4.812 -1.521 549 HD11 LEU 74 1HD1 LEU 74 7.237 2.251 -1.172 550 HD12 LEU 74 2HD1 LEU 74 6.973 3.371 -2.508 551 HD13 LEU 74 3HD1 LEU 74 6.694 3.898 -0.848 552 HD21 LEU 74 1HD2 LEU 74 10.233 3.991 0.140 553 HD22 LEU 74 2HD2 LEU 74 9.549 2.368 0.051 554 HD23 LEU 74 3HD2 LEU 74 8.605 3.687 0.745 555 H SER 75 H SER 75 11.622 5.083 -3.497 556 HA SER 75 HA SER 75 13.333 3.400 -5.146 557 HB2 SER 75 1HB SER 75 14.172 5.314 -6.457 558 HB3 SER 75 2HB SER 75 12.453 5.041 -6.741 559 HG SER 75 HG SER 75 13.208 7.287 -6.314 560 H GLN 76 H GLN 76 15.644 4.079 -4.985 561 HA GLN 76 HA GLN 76 17.463 4.365 -3.641 562 HB2 GLN 76 1HB GLN 76 15.862 6.841 -3.005 563 HB3 GLN 76 2HB GLN 76 17.497 6.583 -2.413 564 HG2 GLN 76 1HG GLN 76 18.371 6.554 -4.635 565 HG3 GLN 76 2HG GLN 76 16.749 6.577 -5.325 566 HE21 GLN 76 1HE2 GLN 76 18.664 8.422 -6.044 567 HE22 GLN 76 2HE2 GLN 76 18.200 9.982 -5.465 568 H LEU 77 H LEU 77 15.466 2.669 -2.568 569 HA LEU 77 HA LEU 77 15.091 3.309 0.212 570 HB2 LEU 77 1HB LEU 77 14.513 0.905 -1.485 571 HB3 LEU 77 2HB LEU 77 14.323 0.859 0.267 572 HG LEU 77 HG LEU 77 12.876 2.798 -1.533 573 HD11 LEU 77 1HD1 LEU 77 10.901 1.318 -1.042 574 HD12 LEU 77 2HD1 LEU 77 12.050 0.106 -0.476 575 HD13 LEU 77 3HD1 LEU 77 12.097 0.650 -2.153 576 HD21 LEU 77 1HD2 LEU 77 12.217 3.765 0.350 577 HD22 LEU 77 2HD2 LEU 77 13.247 2.668 1.271 578 HD23 LEU 77 3HD2 LEU 77 11.572 2.231 0.932 579 H SER 78 H SER 78 15.964 2.142 1.987 580 HA SER 78 HA SER 78 18.607 0.975 1.414 581 HB2 SER 78 1HB SER 78 17.597 2.480 3.834 582 HB3 SER 78 2HB SER 78 19.137 1.620 3.799 583 HG SER 78 HG SER 78 19.949 3.269 2.804 584 H VAL 79 H VAL 79 19.255 -0.329 3.612 585 HA VAL 79 HA VAL 79 17.496 -2.614 3.571 586 HB VAL 79 HB VAL 79 20.049 -2.141 5.117 587 HG11 VAL 79 1HG1 VAL 79 18.071 -4.126 5.458 588 HG12 VAL 79 2HG1 VAL 79 19.455 -4.898 4.682 589 HG13 VAL 79 3HG1 VAL 79 19.664 -4.036 6.207 590 HG21 VAL 79 1HG2 VAL 79 21.214 -3.141 3.404 591 HG22 VAL 79 2HG2 VAL 79 19.797 -3.994 2.792 592 HG23 VAL 79 3HG2 VAL 79 19.979 -2.264 2.500 593 H GLY 80 H GLY 80 15.942 -3.068 4.989 594 HA2 GLY 80 1HA GLY 80 15.927 -2.896 7.696 595 HA3 GLY 80 2HA GLY 80 15.452 -1.278 7.200 596 H LEU 81 H LEU 81 13.639 -2.430 8.663 597 HA LEU 81 HA LEU 81 11.741 -3.820 6.921 598 HB2 LEU 81 1HB LEU 81 12.159 -4.847 9.070 599 HB3 LEU 81 2HB LEU 81 11.743 -3.348 9.898 600 HG LEU 81 HG LEU 81 9.420 -3.587 9.135 601 HD11 LEU 81 1HD1 LEU 81 9.867 -4.834 7.075 602 HD12 LEU 81 2HD1 LEU 81 8.672 -5.645 8.086 603 HD13 LEU 81 3HD1 LEU 81 10.331 -6.241 8.032 604 HD21 LEU 81 1HD2 LEU 81 8.826 -5.043 10.798 605 HD22 LEU 81 2HD2 LEU 81 10.503 -4.726 11.245 606 HD23 LEU 81 3HD2 LEU 81 10.084 -6.207 10.382 607 H TYR 82 H TYR 82 10.145 -2.746 5.978 608 HA TYR 82 HA TYR 82 9.170 -0.269 7.235 609 HB2 TYR 82 1HB TYR 82 9.378 -0.635 4.249 610 HB3 TYR 82 2HB TYR 82 9.066 0.849 5.141 611 HD1 TYR 82 1HD TYR 82 11.659 -1.644 4.293 612 HD2 TYR 82 2HD TYR 82 10.852 2.183 5.969 613 HE1 TYR 82 1HE TYR 82 14.065 -1.131 4.264 614 HE2 TYR 82 2HE TYR 82 13.255 2.707 5.943 615 HH TYR 82 HH TYR 82 15.641 0.337 4.798 616 H VAL 83 H VAL 83 6.993 0.038 7.240 617 HA VAL 83 HA VAL 83 5.347 -2.020 5.918 618 HB VAL 83 HB VAL 83 4.822 -0.747 8.608 619 HG11 VAL 83 1HG1 VAL 83 2.878 -2.091 8.756 620 HG12 VAL 83 2HG1 VAL 83 2.818 -1.307 7.176 621 HG13 VAL 83 3HG1 VAL 83 3.307 -2.997 7.306 622 HG21 VAL 83 1HG2 VAL 83 5.563 -3.593 7.936 623 HG22 VAL 83 2HG2 VAL 83 6.656 -2.396 8.631 624 HG23 VAL 83 3HG2 VAL 83 5.249 -2.941 9.545 625 H PHE 84 H PHE 84 4.030 -1.194 4.447 626 HA PHE 84 HA PHE 84 3.272 1.637 4.652 627 HB2 PHE 84 1HB PHE 84 3.027 -0.130 2.216 628 HB3 PHE 84 2HB PHE 84 2.940 1.628 2.284 629 HD1 PHE 84 2HD PHE 84 5.016 2.922 2.848 630 HD2 PHE 84 1HD PHE 84 5.074 -1.238 1.948 631 HE1 PHE 84 2HE PHE 84 7.430 3.058 2.391 632 HE2 PHE 84 1HE PHE 84 7.488 -1.109 1.490 633 HZ PHE 84 HZ PHE 84 8.669 1.041 1.710 634 H LYS 85 H LYS 85 1.317 2.026 5.428 635 HA LYS 85 HA LYS 85 -0.774 -0.013 5.127 636 HB2 LYS 85 1HB LYS 85 -0.462 0.569 7.411 637 HB3 LYS 85 2HB LYS 85 -0.429 2.288 7.044 638 HG2 LYS 85 1HG LYS 85 -2.855 1.907 6.221 639 HG3 LYS 85 2HG LYS 85 -2.763 0.431 7.185 640 HD2 LYS 85 1HD LYS 85 -3.652 2.001 8.663 641 HD3 LYS 85 2HD LYS 85 -1.937 1.966 9.077 642 HE2 LYS 85 1HE LYS 85 -1.779 3.908 7.335 643 HE3 LYS 85 2HE LYS 85 -3.507 4.069 7.650 644 HZ1 LYS 85 1HZ LYS 85 -2.837 4.127 10.087 645 HZ2 LYS 85 2HZ LYS 85 -2.490 5.499 9.161 646 HZ3 LYS 85 3HZ LYS 85 -1.259 4.402 9.540 647 H VAL 86 H VAL 86 -2.140 0.274 3.503 648 HA VAL 86 HA VAL 86 -2.599 2.966 2.453 649 HB VAL 86 HB VAL 86 -2.122 1.551 0.672 650 HG11 VAL 86 1HG1 VAL 86 -3.741 -0.497 2.147 651 HG12 VAL 86 2HG1 VAL 86 -3.362 -0.686 0.433 652 HG13 VAL 86 3HG1 VAL 86 -2.061 -0.581 1.620 653 HG21 VAL 86 1HG2 VAL 86 -4.449 2.780 0.653 654 HG22 VAL 86 2HG2 VAL 86 -3.976 1.710 -0.667 655 HG23 VAL 86 3HG2 VAL 86 -5.069 1.129 0.590 656 H THR 87 H THR 87 -4.217 4.051 3.356 657 HA THR 87 HA THR 87 -6.553 2.604 4.363 658 HB THR 87 HB THR 87 -6.056 5.559 4.672 659 HG1 THR 87 1HG THR 87 -5.230 3.533 6.494 660 HG21 THR 87 1HG2 THR 87 -8.293 4.399 5.214 661 HG22 THR 87 2HG2 THR 87 -7.587 5.456 6.436 662 HG23 THR 87 3HG2 THR 87 -7.435 3.706 6.589 663 H VAL 88 H VAL 88 -8.113 2.288 2.914 664 HA VAL 88 HA VAL 88 -8.810 4.514 1.109 665 HB VAL 88 HB VAL 88 -8.976 1.546 0.580 666 HG11 VAL 88 1HG1 VAL 88 -9.742 2.394 -1.725 667 HG12 VAL 88 2HG1 VAL 88 -10.921 2.362 -0.412 668 HG13 VAL 88 3HG1 VAL 88 -10.159 3.883 -0.877 669 HG21 VAL 88 1HG2 VAL 88 -7.646 3.248 -1.370 670 HG22 VAL 88 2HG2 VAL 88 -6.880 3.298 0.218 671 HG23 VAL 88 3HG2 VAL 88 -7.095 1.755 -0.609 672 H SER 89 H SER 89 -10.737 5.366 1.490 673 HA SER 89 HA SER 89 -12.933 3.643 2.365 674 HB2 SER 89 1HB SER 89 -13.566 5.081 4.178 675 HB3 SER 89 2HB SER 89 -11.855 4.707 4.385 676 HG SER 89 HG SER 89 -11.731 6.815 4.528 677 H SER 90 H SER 90 -15.057 4.764 2.215 678 HA SER 90 HA SER 90 -15.048 6.884 0.174 679 HB2 SER 90 1HB SER 90 -15.583 4.500 -0.676 680 HB3 SER 90 2HB SER 90 -17.114 4.695 0.178 681 HG SER 90 HG SER 90 -16.110 6.139 -2.023 682 H GLU 91 H GLU 91 -17.564 7.557 -0.083 683 HA GLU 91 HA GLU 91 -18.195 9.006 2.210 684 HB2 GLU 91 1HB GLU 91 -20.409 9.383 1.123 685 HB3 GLU 91 2HB GLU 91 -19.037 9.704 0.071 686 HG2 GLU 91 1HG GLU 91 -19.349 7.435 -0.909 687 HG3 GLU 91 2HG GLU 91 -20.825 7.287 0.042 688 H ASN 92 H ASN 92 -19.307 5.847 1.128 689 HA ASN 92 HA ASN 92 -20.578 5.476 3.757 690 HB2 ASN 92 1HB ASN 92 -21.622 4.316 1.167 691 HB3 ASN 92 2HB ASN 92 -22.377 4.221 2.755 692 HD21 ASN 92 1HD2 ASN 92 -23.918 5.112 0.815 693 HD22 ASN 92 2HD2 ASN 92 -24.153 6.821 0.914 694 H ALA 93 H ALA 93 -17.910 4.784 2.950 695 HA ALA 93 HA ALA 93 -17.957 1.992 3.681 696 HB1 ALA 93 1HB ALA 93 -16.656 2.771 1.076 697 HB2 ALA 93 2HB ALA 93 -16.715 1.161 1.795 698 HB3 ALA 93 3HB ALA 93 -18.197 1.924 1.217 699 H PHE 94 H PHE 94 -15.681 1.140 3.936 700 HA PHE 94 HA PHE 94 -13.559 3.060 4.173 701 HB2 PHE 94 1HB PHE 94 -14.805 3.574 6.218 702 HB3 PHE 94 2HB PHE 94 -14.755 1.879 6.689 703 HD1 PHE 94 1HD PHE 94 -12.844 4.976 6.381 704 HD2 PHE 94 2HD PHE 94 -12.723 0.881 7.536 705 HE1 PHE 94 1HE PHE 94 -10.713 5.371 7.547 706 HE2 PHE 94 2HE PHE 94 -10.593 1.270 8.703 707 HZ PHE 94 HZ PHE 94 -9.586 3.517 8.711 708 H GLY 95 H GLY 95 -11.564 2.100 4.262 709 HA2 GLY 95 1HA GLY 95 -11.301 -0.700 4.961 710 HA3 GLY 95 2HA GLY 95 -11.074 -0.348 3.254 711 H GLU 96 H GLU 96 -9.154 -1.405 5.174 712 HA GLU 96 HA GLU 96 -7.042 0.558 4.707 713 HB2 GLU 96 1HB GLU 96 -7.300 -0.798 7.386 714 HB3 GLU 96 2HB GLU 96 -6.214 0.509 6.934 715 HG2 GLU 96 1HG GLU 96 -8.305 1.903 6.553 716 HG3 GLU 96 2HG GLU 96 -9.174 0.624 7.398 717 H GLY 97 H GLY 97 -4.996 -0.323 4.430 718 HA2 GLY 97 1HA GLY 97 -4.867 -3.274 4.467 719 HA3 GLY 97 2HA GLY 97 -4.250 -2.338 3.114 720 H PHE 98 H PHE 98 -2.675 -4.158 4.510 721 HA PHE 98 HA PHE 98 -0.603 -2.364 5.501 722 HB2 PHE 98 1HB PHE 98 -1.871 -4.564 7.102 723 HB3 PHE 98 2HB PHE 98 -0.187 -4.129 7.372 724 HD1 PHE 98 2HD PHE 98 -3.625 -2.742 7.320 725 HD2 PHE 98 1HD PHE 98 0.371 -2.313 8.720 726 HE1 PHE 98 2HE PHE 98 -4.342 -0.906 8.793 727 HE2 PHE 98 1HE PHE 98 -0.340 -0.477 10.196 728 HZ PHE 98 HZ PHE 98 -2.699 0.229 10.233 729 H VAL 99 H VAL 99 1.235 -2.839 4.511 730 HA VAL 99 HA VAL 99 1.782 -5.638 3.789 731 HB VAL 99 HB VAL 99 1.011 -4.246 1.812 732 HG11 VAL 99 1HG1 VAL 99 2.402 -2.243 2.655 733 HG12 VAL 99 2HG1 VAL 99 3.756 -3.047 1.857 734 HG13 VAL 99 3HG1 VAL 99 2.342 -2.561 0.922 735 HG21 VAL 99 1HG2 VAL 99 2.267 -6.337 1.577 736 HG22 VAL 99 2HG2 VAL 99 2.693 -5.180 0.315 737 HG23 VAL 99 3HG2 VAL 99 3.780 -5.437 1.679 738 H ASN 100 H ASN 100 3.759 -6.336 4.324 739 HA ASN 100 HA ASN 100 5.649 -4.373 5.408 740 HB2 ASN 100 1HB ASN 100 5.632 -7.382 5.733 741 HB3 ASN 100 2HB ASN 100 6.683 -6.247 6.576 742 HD21 ASN 100 1HD2 ASN 100 5.911 -7.041 8.559 743 HD22 ASN 100 2HD2 ASN 100 4.362 -6.579 9.169 744 H VAL 101 H VAL 101 7.650 -4.082 4.578 745 HA VAL 101 HA VAL 101 8.519 -5.859 2.400 746 HB VAL 101 HB VAL 101 8.566 -2.840 2.369 747 HG11 VAL 101 1HG1 VAL 101 10.626 -3.424 1.435 748 HG12 VAL 101 2HG1 VAL 101 9.966 -4.856 0.644 749 HG13 VAL 101 3HG1 VAL 101 9.560 -3.249 0.041 750 HG21 VAL 101 1HG2 VAL 101 6.624 -3.063 1.310 751 HG22 VAL 101 2HG2 VAL 101 7.485 -3.878 0.005 752 HG23 VAL 101 3HG2 VAL 101 6.766 -4.821 1.311 753 H THR 102 H THR 102 10.495 -6.629 2.714 754 HA THR 102 HA THR 102 12.272 -5.210 4.586 755 HB THR 102 HB THR 102 12.236 -8.146 3.862 756 HG1 THR 102 1HG THR 102 10.555 -7.630 5.271 757 HG21 THR 102 1HG2 THR 102 13.863 -8.293 5.794 758 HG22 THR 102 2HG2 THR 102 14.024 -6.540 5.678 759 HG23 THR 102 3HG2 THR 102 14.491 -7.560 4.318 760 H VAL 103 H VAL 103 14.015 -4.281 3.755 761 HA VAL 103 HA VAL 103 14.836 -4.948 1.034 762 HB VAL 103 HB VAL 103 15.603 -2.675 2.864 763 HG11 VAL 103 1HG1 VAL 103 16.773 -1.778 0.818 764 HG12 VAL 103 2HG1 VAL 103 17.560 -3.145 1.609 765 HG13 VAL 103 3HG1 VAL 103 16.633 -3.395 0.129 766 HG21 VAL 103 1HG2 VAL 103 13.633 -1.940 2.053 767 HG22 VAL 103 2HG2 VAL 103 14.588 -1.563 0.618 768 HG23 VAL 103 3HG2 VAL 103 13.656 -3.059 0.689 769 H LYS 104 H LYS 104 16.232 -6.582 0.879 770 HA LYS 104 HA LYS 104 18.170 -7.096 2.977 771 HB2 LYS 104 1HB LYS 104 18.070 -8.592 0.381 772 HB3 LYS 104 2HB LYS 104 18.527 -9.171 1.977 773 HG2 LYS 104 1HG LYS 104 15.721 -8.381 1.240 774 HG3 LYS 104 2HG LYS 104 16.343 -10.028 1.114 775 HD2 LYS 104 1HD LYS 104 16.691 -8.599 3.697 776 HD3 LYS 104 2HD LYS 104 15.074 -9.169 3.278 777 HE2 LYS 104 1HE LYS 104 16.236 -10.845 4.585 778 HE3 LYS 104 2HE LYS 104 15.978 -11.430 2.942 779 HZ1 LYS 104 1HZ LYS 104 18.213 -11.149 2.412 780 HZ2 LYS 104 2HZ LYS 104 18.258 -11.786 3.978 781 HZ3 LYS 104 3HZ LYS 104 18.512 -10.132 3.731 782 HA PRO 105 HA PRO 105 21.605 -5.084 1.124 783 HB2 PRO 105 1HB PRO 105 23.636 -6.705 1.911 784 HB3 PRO 105 2HB PRO 105 22.786 -5.623 3.020 785 HG2 PRO 105 1HG PRO 105 22.409 -8.560 2.578 786 HG3 PRO 105 2HG PRO 105 22.454 -7.654 4.102 787 HD2 PRO 105 1HD PRO 105 20.137 -8.448 2.948 788 HD3 PRO 105 2HD PRO 105 20.268 -6.953 3.897 789 H ALA 106 H ALA 106 23.265 -5.287 -0.492 790 HA ALA 106 HA ALA 106 22.527 -6.893 -2.687 791 HB1 ALA 106 1HB ALA 106 23.679 -4.731 -2.902 792 HB2 ALA 106 2HB ALA 106 25.140 -5.458 -2.232 793 HB3 ALA 106 3HB ALA 106 24.506 -6.019 -3.779 794 H ARG 107 H ARG 107 22.663 -9.050 -2.607 795 HA ARG 107 HA ARG 107 24.686 -10.432 -1.131 796 HB2 ARG 107 1HB ARG 107 23.689 -12.468 -2.143 797 HB3 ARG 107 2HB ARG 107 22.502 -11.435 -1.359 798 HG2 ARG 107 1HG ARG 107 21.667 -10.659 -3.428 799 HG3 ARG 107 2HG ARG 107 23.028 -11.350 -4.314 800 HD2 ARG 107 1HD ARG 107 22.195 -13.479 -4.205 801 HD3 ARG 107 2HD ARG 107 21.331 -13.178 -2.698 802 HE ARG 107 HE ARG 107 20.101 -11.634 -4.637 803 HH11 ARG 107 2HH1 ARG 107 20.678 -15.012 -4.025 804 HH12 ARG 107 1HH1 ARG 107 19.242 -15.538 -4.838 805 HH21 ARG 107 2HH2 ARG 107 18.207 -12.314 -5.711 806 HH22 ARG 107 1HH2 ARG 107 17.837 -14.003 -5.797 807 H SER 108 H SER 108 24.096 -9.766 -4.552 808 HA SER 108 HA SER 108 26.885 -10.506 -5.100 809 HB2 SER 108 1HB SER 108 25.333 -12.342 -5.818 810 HB3 SER 108 2HB SER 108 24.577 -11.201 -6.930 811 HG SER 108 HG SER 108 27.326 -11.912 -6.936 812 H GLY 109 H GLY 109 27.314 -8.242 -5.038 813 HA2 GLY 109 1HA GLY 109 26.016 -6.579 -7.058 814 HA3 GLY 109 2HA GLY 109 27.127 -6.027 -5.813 815 HA PRO 110 HA PRO 110 30.279 -5.785 -8.856 816 HB2 PRO 110 1HB PRO 110 32.474 -6.027 -7.276 817 HB3 PRO 110 2HB PRO 110 31.477 -4.568 -7.319 818 HG2 PRO 110 1HG PRO 110 31.466 -6.813 -5.338 819 HG3 PRO 110 2HG PRO 110 31.371 -5.065 -5.050 820 HD2 PRO 110 1HD PRO 110 29.190 -6.670 -5.005 821 HD3 PRO 110 2HD PRO 110 29.121 -4.980 -5.543 822 H SER 111 H SER 111 30.812 -7.315 -10.271 823 HA SER 111 HA SER 111 32.347 -9.615 -9.477 824 HB2 SER 111 1HB SER 111 29.457 -9.851 -10.190 825 HB3 SER 111 2HB SER 111 30.562 -11.097 -10.772 826 HG SER 111 HG SER 111 30.918 -11.749 -8.763 827 H SER 112 H SER 112 33.896 -9.590 -10.956 828 HA SER 112 HA SER 112 33.706 -8.342 -13.467 829 HB2 SER 112 1HB SER 112 35.690 -10.126 -12.131 830 HB3 SER 112 2HB SER 112 35.827 -9.897 -13.875 831 HG SER 112 HG SER 112 37.007 -8.280 -12.986 832 H GLY 113 H GLY 113 32.720 -8.985 -15.257 833 HA2 GLY 113 1HA GLY 113 32.543 -10.644 -17.021 834 HA3 GLY 113 2HA GLY 113 32.501 -11.882 -15.775 Start of MODEL 19 1 H1 GLY 1 H GLY 1 -12.803 24.657 19.015 2 HA2 GLY 1 1HA GLY 1 -14.351 22.705 20.572 3 HA3 GLY 1 2HA GLY 1 -15.130 24.203 20.082 4 H SER 2 H SER 2 -15.162 21.123 19.362 5 HA SER 2 HA SER 2 -15.628 21.620 16.505 6 HB2 SER 2 1HB SER 2 -13.393 20.441 17.009 7 HB3 SER 2 2HB SER 2 -14.378 19.049 17.461 8 HG SER 2 HG SER 2 -14.303 20.358 14.945 9 H SER 3 H SER 3 -17.332 20.515 15.604 10 HA SER 3 HA SER 3 -18.987 18.973 17.491 11 HB2 SER 3 1HB SER 3 -19.926 21.170 16.692 12 HB3 SER 3 2HB SER 3 -19.960 20.493 15.064 13 HG SER 3 HG SER 3 -21.831 19.737 15.632 14 H GLY 4 H GLY 4 -18.229 16.929 17.022 15 HA2 GLY 4 1HA GLY 4 -18.842 15.973 14.296 16 HA3 GLY 4 2HA GLY 4 -17.381 15.474 15.136 17 H SER 5 H SER 5 -20.917 15.400 15.332 18 HA SER 5 HA SER 5 -20.956 13.374 17.353 19 HB2 SER 5 1HB SER 5 -22.787 15.151 16.646 20 HB3 SER 5 2HB SER 5 -23.309 13.854 15.572 21 HG SER 5 HG SER 5 -24.335 13.796 17.641 22 H SER 6 H SER 6 -21.729 11.212 17.107 23 HA SER 6 HA SER 6 -21.908 10.064 14.463 24 HB2 SER 6 1HB SER 6 -19.397 10.248 15.187 25 HB3 SER 6 2HB SER 6 -19.787 8.874 16.221 26 HG SER 6 HG SER 6 -19.300 8.908 13.587 27 H GLY 7 H GLY 7 -22.436 7.740 14.538 28 HA2 GLY 7 1HA GLY 7 -22.880 5.970 16.398 29 HA3 GLY 7 2HA GLY 7 -24.044 7.176 16.928 30 HA PRO 8 HA PRO 8 -27.095 5.706 14.150 31 HB2 PRO 8 1HB PRO 8 -28.084 7.940 12.966 32 HB3 PRO 8 2HB PRO 8 -28.386 7.537 14.660 33 HG2 PRO 8 1HG PRO 8 -26.388 9.436 13.491 34 HG3 PRO 8 2HG PRO 8 -27.434 9.645 14.908 35 HD2 PRO 8 1HD PRO 8 -24.819 8.976 15.114 36 HD3 PRO 8 2HD PRO 8 -26.041 8.418 16.274 37 H ARG 9 H ARG 9 -24.253 6.892 12.978 38 HA ARG 9 HA ARG 9 -25.011 6.382 10.177 39 HB2 ARG 9 1HB ARG 9 -22.742 8.048 11.280 40 HB3 ARG 9 2HB ARG 9 -22.994 7.708 9.573 41 HG2 ARG 9 1HG ARG 9 -24.948 8.999 9.489 42 HG3 ARG 9 2HG ARG 9 -25.095 9.040 11.247 43 HD2 ARG 9 1HD ARG 9 -22.643 10.181 10.013 44 HD3 ARG 9 2HD ARG 9 -24.145 11.094 9.876 45 HE ARG 9 HE ARG 9 -22.603 10.617 12.277 46 HH11 ARG 9 2HH1 ARG 9 -25.651 11.610 10.918 47 HH12 ARG 9 1HH1 ARG 9 -26.147 12.479 12.332 48 HH21 ARG 9 2HH2 ARG 9 -23.245 11.759 14.145 49 HH22 ARG 9 1HH2 ARG 9 -24.778 12.564 14.166 50 H THR 10 H THR 10 -23.948 4.843 9.039 51 HA THR 10 HA THR 10 -21.607 3.560 10.254 52 HB THR 10 HB THR 10 -22.532 1.319 9.627 53 HG1 THR 10 1HG THR 10 -24.197 2.317 8.210 54 HG21 THR 10 1HG2 THR 10 -22.936 2.803 11.910 55 HG22 THR 10 2HG2 THR 10 -23.254 1.076 11.737 56 HG23 THR 10 3HG2 THR 10 -24.560 2.240 11.513 57 H VAL 11 H VAL 11 -20.259 2.430 8.781 58 HA VAL 11 HA VAL 11 -20.709 3.170 5.962 59 HB VAL 11 HB VAL 11 -18.303 3.244 5.656 60 HG11 VAL 11 1HG1 VAL 11 -19.773 5.139 6.861 61 HG12 VAL 11 2HG1 VAL 11 -18.545 4.881 8.102 62 HG13 VAL 11 3HG1 VAL 11 -18.066 5.341 6.467 63 HG21 VAL 11 1HG2 VAL 11 -18.207 1.633 7.905 64 HG22 VAL 11 2HG2 VAL 11 -16.827 2.330 7.058 65 HG23 VAL 11 3HG2 VAL 11 -17.521 3.164 8.448 66 H LYS 12 H LYS 12 -19.567 1.718 4.393 67 HA LYS 12 HA LYS 12 -20.219 -1.033 5.028 68 HB2 LYS 12 1HB LYS 12 -19.567 0.486 2.540 69 HB3 LYS 12 2HB LYS 12 -19.352 -1.260 2.540 70 HG2 LYS 12 1HG LYS 12 -21.676 -1.588 3.098 71 HG3 LYS 12 2HG LYS 12 -21.916 0.155 3.241 72 HD2 LYS 12 1HD LYS 12 -22.701 -0.230 1.112 73 HD3 LYS 12 2HD LYS 12 -21.015 0.179 0.783 74 HE2 LYS 12 1HE LYS 12 -20.484 -2.242 0.762 75 HE3 LYS 12 2HE LYS 12 -22.200 -2.590 0.969 76 HZ1 LYS 12 1HZ LYS 12 -22.480 -1.170 -1.128 77 HZ2 LYS 12 2HZ LYS 12 -21.882 -2.742 -1.304 78 HZ3 LYS 12 3HZ LYS 12 -20.824 -1.423 -1.364 79 H GLU 13 H GLU 13 -18.812 -2.607 5.495 80 HA GLU 13 HA GLU 13 -16.042 -1.942 5.881 81 HB2 GLU 13 1HB GLU 13 -15.871 -4.327 6.650 82 HB3 GLU 13 2HB GLU 13 -17.050 -3.355 7.521 83 HG2 GLU 13 1HG GLU 13 -18.853 -4.344 6.238 84 HG3 GLU 13 2HG GLU 13 -17.692 -5.277 5.295 85 H LEU 14 H LEU 14 -14.641 -1.931 4.259 86 HA LEU 14 HA LEU 14 -15.037 -3.772 2.009 87 HB2 LEU 14 1HB LEU 14 -13.067 -1.512 2.102 88 HB3 LEU 14 2HB LEU 14 -13.744 -2.322 0.691 89 HG LEU 14 HG LEU 14 -15.520 -0.735 2.503 90 HD11 LEU 14 1HD1 LEU 14 -14.655 1.226 1.935 91 HD12 LEU 14 2HD1 LEU 14 -14.652 0.788 0.227 92 HD13 LEU 14 3HD1 LEU 14 -13.277 0.366 1.247 93 HD21 LEU 14 1HD2 LEU 14 -15.819 -0.702 -0.419 94 HD22 LEU 14 2HD2 LEU 14 -17.027 -0.925 0.847 95 HD23 LEU 14 3HD2 LEU 14 -16.024 -2.283 0.335 96 H THR 15 H THR 15 -13.419 -5.146 1.302 97 HA THR 15 HA THR 15 -11.386 -5.773 3.312 98 HB THR 15 HB THR 15 -12.199 -7.395 0.893 99 HG1 THR 15 1HG THR 15 -13.932 -7.657 2.118 100 HG21 THR 15 1HG2 THR 15 -10.751 -8.312 3.371 101 HG22 THR 15 2HG2 THR 15 -9.913 -7.784 1.912 102 HG23 THR 15 3HG2 THR 15 -10.980 -9.187 1.858 103 H VAL 16 H VAL 16 -9.659 -4.467 2.973 104 HA VAL 16 HA VAL 16 -8.635 -4.100 0.263 105 HB VAL 16 HB VAL 16 -7.728 -2.885 2.877 106 HG11 VAL 16 1HG1 VAL 16 -5.900 -3.073 1.257 107 HG12 VAL 16 2HG1 VAL 16 -6.883 -2.234 0.055 108 HG13 VAL 16 3HG1 VAL 16 -6.367 -1.393 1.517 109 HG21 VAL 16 1HG2 VAL 16 -10.015 -2.269 1.849 110 HG22 VAL 16 2HG2 VAL 16 -8.923 -0.968 2.324 111 HG23 VAL 16 3HG2 VAL 16 -9.063 -1.427 0.627 112 H SER 17 H SER 17 -6.711 -4.883 -0.465 113 HA SER 17 HA SER 17 -4.940 -6.297 1.366 114 HB2 SER 17 1HB SER 17 -6.596 -7.985 0.577 115 HB3 SER 17 2HB SER 17 -6.090 -7.660 -1.081 116 HG SER 17 HG SER 17 -5.056 -9.430 0.429 117 H ALA 18 H ALA 18 -2.886 -5.890 0.881 118 HA ALA 18 HA ALA 18 -2.250 -4.414 -1.518 119 HB1 ALA 18 1HB ALA 18 -0.708 -5.208 0.925 120 HB2 ALA 18 2HB ALA 18 0.107 -4.533 -0.487 121 HB3 ALA 18 3HB ALA 18 -1.131 -3.595 0.349 122 H GLY 19 H GLY 19 -1.575 -7.614 -0.180 123 HA2 GLY 19 1HA GLY 19 -1.515 -9.190 -2.285 124 HA3 GLY 19 2HA GLY 19 -0.015 -8.315 -2.555 125 H ASP 20 H ASP 20 1.650 -8.463 -0.902 126 HA ASP 20 HA ASP 20 1.521 -10.256 1.261 127 HB2 ASP 20 1HB ASP 20 1.349 -11.899 -0.630 128 HB3 ASP 20 2HB ASP 20 2.955 -11.391 -1.145 129 H ASN 21 H ASN 21 3.795 -10.837 2.049 130 HA ASN 21 HA ASN 21 5.286 -8.487 2.332 131 HB2 ASN 21 1HB ASN 21 7.054 -10.023 3.292 132 HB3 ASN 21 2HB ASN 21 5.460 -10.154 4.029 133 HD21 ASN 21 1HD2 ASN 21 7.980 -11.797 2.521 134 HD22 ASN 21 2HD2 ASN 21 7.205 -13.330 2.336 135 H LEU 22 H LEU 22 6.851 -7.569 1.163 136 HA LEU 22 HA LEU 22 7.926 -9.082 -1.123 137 HB2 LEU 22 1HB LEU 22 7.787 -6.089 -0.830 138 HB3 LEU 22 2HB LEU 22 8.209 -7.004 -2.276 139 HG LEU 22 HG LEU 22 6.055 -6.302 -2.729 140 HD11 LEU 22 1HD1 LEU 22 4.601 -8.261 -2.543 141 HD12 LEU 22 2HD1 LEU 22 5.714 -8.975 -1.377 142 HD13 LEU 22 3HD1 LEU 22 6.234 -8.706 -3.040 143 HD21 LEU 22 1HD2 LEU 22 5.381 -6.882 0.152 144 HD22 LEU 22 2HD2 LEU 22 4.213 -6.379 -1.070 145 HD23 LEU 22 3HD2 LEU 22 5.527 -5.297 -0.608 146 H ILE 23 H ILE 23 10.090 -9.255 -1.402 147 HA ILE 23 HA ILE 23 11.832 -7.811 0.482 148 HB ILE 23 HB ILE 23 12.085 -10.716 -0.304 149 HG12 ILE 23 1HG1 ILE 23 11.674 -9.541 2.446 150 HG13 ILE 23 2HG1 ILE 23 10.341 -10.080 1.431 151 HG21 ILE 23 1HG2 ILE 23 14.284 -10.072 -0.117 152 HG22 ILE 23 2HG2 ILE 23 13.929 -8.824 1.076 153 HG23 ILE 23 3HG2 ILE 23 13.921 -10.523 1.549 154 HD11 ILE 23 1HD1 ILE 23 11.305 -12.335 1.399 155 HD12 ILE 23 2HD1 ILE 23 12.597 -11.780 2.464 156 HD13 ILE 23 3HD1 ILE 23 10.927 -11.785 3.031 157 H ILE 24 H ILE 24 13.490 -6.788 -0.438 158 HA ILE 24 HA ILE 24 14.246 -7.551 -3.183 159 HB ILE 24 HB ILE 24 15.012 -5.019 -3.213 160 HG12 ILE 24 1HG1 ILE 24 12.796 -5.112 -1.164 161 HG13 ILE 24 2HG1 ILE 24 14.399 -4.408 -0.985 162 HG21 ILE 24 1HG2 ILE 24 12.129 -5.812 -3.594 163 HG22 ILE 24 2HG2 ILE 24 12.967 -4.468 -4.368 164 HG23 ILE 24 3HG2 ILE 24 13.424 -6.128 -4.747 165 HD11 ILE 24 1HD1 ILE 24 12.661 -2.712 -1.249 166 HD12 ILE 24 2HD1 ILE 24 13.834 -2.664 -2.566 167 HD13 ILE 24 3HD1 ILE 24 12.248 -3.389 -2.824 168 H THR 25 H THR 25 16.470 -6.944 -3.790 169 HA THR 25 HA THR 25 18.306 -6.890 -1.490 170 HB THR 25 HB THR 25 18.663 -8.601 -3.958 171 HG1 THR 25 1HG THR 25 18.179 -10.309 -2.626 172 HG21 THR 25 1HG2 THR 25 20.466 -9.536 -2.216 173 HG22 THR 25 2HG2 THR 25 20.431 -7.850 -1.701 174 HG23 THR 25 3HG2 THR 25 20.833 -8.255 -3.370 175 H LEU 26 H LEU 26 19.806 -5.351 -1.615 176 HA LEU 26 HA LEU 26 19.889 -3.382 -3.528 177 HB2 LEU 26 1HB LEU 26 21.984 -4.389 -1.630 178 HB3 LEU 26 2HB LEU 26 22.289 -3.022 -2.700 179 HG LEU 26 HG LEU 26 20.273 -3.191 -0.467 180 HD11 LEU 26 1HD1 LEU 26 22.202 -0.983 -0.662 181 HD12 LEU 26 2HD1 LEU 26 22.900 -2.570 -0.339 182 HD13 LEU 26 3HD1 LEU 26 21.670 -1.911 0.740 183 HD21 LEU 26 1HD2 LEU 26 20.254 -0.602 -1.363 184 HD22 LEU 26 2HD2 LEU 26 19.017 -1.813 -1.700 185 HD23 LEU 26 3HD2 LEU 26 20.311 -1.526 -2.864 186 HA PRO 27 HA PRO 27 21.679 -1.950 -4.257 187 HB2 PRO 27 1HB PRO 27 21.574 -0.891 -6.754 188 HB3 PRO 27 2HB PRO 27 23.089 -1.355 -5.970 189 HG2 PRO 27 1HG PRO 27 21.470 -2.849 -7.997 190 HG3 PRO 27 2HG PRO 27 23.228 -2.632 -7.908 191 HD2 PRO 27 1HD PRO 27 21.996 -4.899 -7.086 192 HD3 PRO 27 2HD PRO 27 23.479 -4.287 -6.324 193 H ASP 28 H ASP 28 19.657 -3.799 -6.415 194 HA ASP 28 HA ASP 28 17.603 -2.157 -7.071 195 HB2 ASP 28 1HB ASP 28 17.525 -5.015 -6.111 196 HB3 ASP 28 2HB ASP 28 16.088 -4.183 -6.700 197 H ASN 29 H ASN 29 16.798 -0.594 -5.811 198 HA ASN 29 HA ASN 29 15.748 -1.375 -3.172 199 HB2 ASN 29 1HB ASN 29 16.257 0.909 -2.378 200 HB3 ASN 29 2HB ASN 29 17.710 0.043 -2.868 201 HD21 ASN 29 1HD2 ASN 29 18.842 1.951 -3.189 202 HD22 ASN 29 2HD2 ASN 29 18.543 2.981 -4.543 203 H GLU 30 H GLU 30 14.369 -1.390 -5.707 204 HA GLU 30 HA GLU 30 12.333 0.660 -5.139 205 HB2 GLU 30 1HB GLU 30 12.990 -0.391 -7.892 206 HB3 GLU 30 2HB GLU 30 11.901 0.928 -7.485 207 HG2 GLU 30 1HG GLU 30 13.814 2.228 -6.658 208 HG3 GLU 30 2HG GLU 30 14.890 0.915 -7.133 209 H VAL 31 H VAL 31 10.250 -0.009 -5.061 210 HA VAL 31 HA VAL 31 9.555 -2.678 -6.021 211 HB VAL 31 HB VAL 31 10.089 -3.274 -3.812 212 HG11 VAL 31 1HG1 VAL 31 9.203 -1.990 -1.845 213 HG12 VAL 31 2HG1 VAL 31 10.420 -1.143 -2.803 214 HG13 VAL 31 3HG1 VAL 31 8.714 -0.729 -2.976 215 HG21 VAL 31 1HG2 VAL 31 7.955 -3.849 -2.797 216 HG22 VAL 31 2HG2 VAL 31 7.135 -2.659 -3.807 217 HG23 VAL 31 3HG2 VAL 31 7.886 -4.073 -4.545 218 H GLU 32 H GLU 32 7.491 -2.839 -6.738 219 HA GLU 32 HA GLU 32 5.815 -0.435 -6.469 220 HB2 GLU 32 1HB GLU 32 6.339 -0.784 -8.760 221 HB3 GLU 32 2HB GLU 32 6.016 -2.508 -8.646 222 HG2 GLU 32 1HG GLU 32 3.714 -2.206 -8.625 223 HG3 GLU 32 2HG GLU 32 3.845 -0.510 -8.162 224 H LEU 33 H LEU 33 4.303 -0.685 -4.965 225 HA LEU 33 HA LEU 33 3.177 -3.328 -4.450 226 HB2 LEU 33 1HB LEU 33 2.636 -0.754 -2.985 227 HB3 LEU 33 2HB LEU 33 2.263 -2.390 -2.446 228 HG LEU 33 HG LEU 33 5.111 -1.661 -2.937 229 HD11 LEU 33 1HD1 LEU 33 3.822 -1.077 -0.298 230 HD12 LEU 33 2HD1 LEU 33 3.921 0.154 -1.556 231 HD13 LEU 33 3HD1 LEU 33 5.396 -0.564 -0.908 232 HD21 LEU 33 1HD2 LEU 33 4.781 -3.916 -2.386 233 HD22 LEU 33 2HD2 LEU 33 3.593 -3.530 -1.141 234 HD23 LEU 33 3HD2 LEU 33 5.298 -3.158 -0.880 235 H LYS 34 H LYS 34 0.928 -3.724 -4.428 236 HA LYS 34 HA LYS 34 -0.714 -1.756 -5.873 237 HB2 LYS 34 1HB LYS 34 0.140 -3.738 -7.281 238 HB3 LYS 34 2HB LYS 34 -0.977 -4.718 -6.339 239 HG2 LYS 34 1HG LYS 34 -2.785 -3.096 -7.064 240 HG3 LYS 34 2HG LYS 34 -1.611 -2.467 -8.221 241 HD2 LYS 34 1HD LYS 34 -1.366 -4.742 -9.155 242 HD3 LYS 34 2HD LYS 34 -2.611 -5.309 -8.041 243 HE2 LYS 34 1HE LYS 34 -3.888 -4.917 -9.897 244 HE3 LYS 34 2HE LYS 34 -3.991 -3.339 -9.117 245 HZ1 LYS 34 1HZ LYS 34 -3.107 -3.872 -11.670 246 HZ2 LYS 34 2HZ LYS 34 -1.709 -3.489 -10.798 247 HZ3 LYS 34 3HZ LYS 34 -3.002 -2.398 -10.846 248 H ALA 35 H ALA 35 -2.751 -1.476 -5.123 249 HA ALA 35 HA ALA 35 -3.476 -2.967 -2.707 250 HB1 ALA 35 1HB ALA 35 -4.159 -1.012 -1.916 251 HB2 ALA 35 2HB ALA 35 -3.623 -0.244 -3.411 252 HB3 ALA 35 3HB ALA 35 -5.282 -0.825 -3.263 253 H PHE 36 H PHE 36 -5.446 -3.998 -2.466 254 HA PHE 36 HA PHE 36 -7.190 -4.154 -4.819 255 HB2 PHE 36 1HB PHE 36 -5.766 -6.411 -3.467 256 HB3 PHE 36 2HB PHE 36 -7.366 -6.696 -4.144 257 HD1 PHE 36 1HD PHE 36 -7.626 -5.667 -6.617 258 HD2 PHE 36 2HD PHE 36 -3.983 -6.915 -4.804 259 HE1 PHE 36 1HE PHE 36 -6.629 -5.980 -8.845 260 HE2 PHE 36 2HE PHE 36 -2.980 -7.229 -7.029 261 HZ PHE 36 HZ PHE 36 -4.302 -6.760 -9.053 262 H VAL 37 H VAL 37 -9.144 -3.555 -4.184 263 HA VAL 37 HA VAL 37 -10.076 -4.390 -1.514 264 HB VAL 37 HB VAL 37 -9.739 -1.993 -1.511 265 HG11 VAL 37 1HG1 VAL 37 -10.473 -2.131 -4.184 266 HG12 VAL 37 2HG1 VAL 37 -11.787 -1.241 -3.411 267 HG13 VAL 37 3HG1 VAL 37 -10.125 -0.670 -3.260 268 HG21 VAL 37 1HG2 VAL 37 -11.781 -3.074 -0.433 269 HG22 VAL 37 2HG2 VAL 37 -11.838 -1.330 -0.688 270 HG23 VAL 37 3HG2 VAL 37 -12.702 -2.409 -1.783 271 H ALA 38 H ALA 38 -12.156 -5.156 -1.328 272 HA ALA 38 HA ALA 38 -13.739 -5.361 -3.798 273 HB1 ALA 38 1HB ALA 38 -12.739 -7.487 -3.667 274 HB2 ALA 38 2HB ALA 38 -12.994 -7.589 -1.924 275 HB3 ALA 38 3HB ALA 38 -14.369 -7.695 -3.023 276 HA PRO 39 HA PRO 39 -15.681 -6.160 -4.415 277 HB2 PRO 39 1HB PRO 39 -17.716 -4.550 -5.215 278 HB3 PRO 39 2HB PRO 39 -17.977 -6.077 -4.364 279 HG2 PRO 39 1HG PRO 39 -17.983 -3.284 -3.287 280 HG3 PRO 39 2HG PRO 39 -19.093 -4.621 -2.935 281 HD2 PRO 39 1HD PRO 39 -17.072 -3.929 -1.271 282 HD3 PRO 39 2HD PRO 39 -17.637 -5.603 -1.442 283 H ALA 40 H ALA 40 -14.996 -5.238 -6.355 284 HA ALA 40 HA ALA 40 -13.341 -2.934 -6.121 285 HB1 ALA 40 1HB ALA 40 -13.377 -3.313 -8.761 286 HB2 ALA 40 2HB ALA 40 -12.434 -4.325 -7.666 287 HB3 ALA 40 3HB ALA 40 -14.002 -4.882 -8.250 288 HA PRO 41 HA PRO 41 -16.250 0.236 -7.087 289 HB2 PRO 41 1HB PRO 41 -14.503 2.155 -7.884 290 HB3 PRO 41 2HB PRO 41 -14.718 1.695 -6.191 291 HG2 PRO 41 1HG PRO 41 -12.593 0.858 -8.125 292 HG3 PRO 41 2HG PRO 41 -12.434 1.329 -6.423 293 HD2 PRO 41 1HD PRO 41 -12.435 -1.257 -7.224 294 HD3 PRO 41 2HD PRO 41 -13.092 -0.743 -5.657 295 HA PRO 42 HA PRO 42 -17.001 -0.086 -11.426 296 HB2 PRO 42 1HB PRO 42 -18.714 2.001 -11.704 297 HB3 PRO 42 2HB PRO 42 -19.174 0.477 -10.937 298 HG2 PRO 42 1HG PRO 42 -18.356 3.064 -9.672 299 HG3 PRO 42 2HG PRO 42 -19.669 1.962 -9.218 300 HD2 PRO 42 1HD PRO 42 -17.294 2.012 -7.918 301 HD3 PRO 42 2HD PRO 42 -18.250 0.527 -8.105 302 H VAL 43 H VAL 43 -17.355 1.709 -13.298 303 HA VAL 43 HA VAL 43 -14.787 2.858 -13.696 304 HB VAL 43 HB VAL 43 -16.054 2.068 -15.598 305 HG11 VAL 43 1HG1 VAL 43 -18.178 2.656 -16.127 306 HG12 VAL 43 2HG1 VAL 43 -18.260 2.983 -14.395 307 HG13 VAL 43 3HG1 VAL 43 -17.988 4.304 -15.532 308 HG21 VAL 43 1HG2 VAL 43 -15.865 4.026 -17.071 309 HG22 VAL 43 2HG2 VAL 43 -15.718 5.067 -15.655 310 HG23 VAL 43 3HG2 VAL 43 -14.471 3.869 -16.002 311 H GLU 44 H GLU 44 -17.895 4.125 -12.669 312 HA GLU 44 HA GLU 44 -17.039 6.876 -12.816 313 HB2 GLU 44 1HB GLU 44 -19.503 5.586 -11.637 314 HB3 GLU 44 2HB GLU 44 -19.226 7.321 -11.673 315 HG2 GLU 44 1HG GLU 44 -19.419 7.429 -13.990 316 HG3 GLU 44 2HG GLU 44 -19.167 5.696 -14.184 317 H THR 45 H THR 45 -18.380 5.099 -10.041 318 HA THR 45 HA THR 45 -17.114 6.760 -8.134 319 HB THR 45 HB THR 45 -18.194 3.974 -7.677 320 HG1 THR 45 1HG THR 45 -19.569 5.856 -8.639 321 HG21 THR 45 1HG2 THR 45 -18.584 4.805 -5.386 322 HG22 THR 45 2HG2 THR 45 -17.789 6.320 -5.818 323 HG23 THR 45 3HG2 THR 45 -16.874 4.812 -5.816 324 H THR 46 H THR 46 -15.132 6.703 -7.296 325 HA THR 46 HA THR 46 -13.578 4.217 -7.458 326 HB THR 46 HB THR 46 -11.550 5.557 -8.060 327 HG1 THR 46 1HG THR 46 -12.314 7.623 -9.215 328 HG21 THR 46 1HG2 THR 46 -12.886 4.252 -9.724 329 HG22 THR 46 2HG2 THR 46 -12.014 5.621 -10.415 330 HG23 THR 46 3HG2 THR 46 -13.748 5.738 -10.119 331 H TYR 47 H TYR 47 -12.503 3.743 -5.639 332 HA TYR 47 HA TYR 47 -12.856 5.347 -3.317 333 HB2 TYR 47 1HB TYR 47 -11.001 2.988 -3.693 334 HB3 TYR 47 2HB TYR 47 -11.579 3.635 -2.162 335 HD1 TYR 47 2HD TYR 47 -14.471 4.086 -3.075 336 HD2 TYR 47 1HD TYR 47 -11.830 0.770 -3.444 337 HE1 TYR 47 2HE TYR 47 -16.402 2.565 -3.159 338 HE2 TYR 47 1HE TYR 47 -13.754 -0.760 -3.530 339 HH TYR 47 HH TYR 47 -16.781 0.128 -4.194 340 H ASN 48 H ASN 48 -10.771 5.612 -1.855 341 HA ASN 48 HA ASN 48 -8.752 7.009 -3.486 342 HB2 ASN 48 1HB ASN 48 -10.169 7.811 -0.985 343 HB3 ASN 48 2HB ASN 48 -8.501 8.333 -1.199 344 HD21 ASN 48 1HD2 ASN 48 -11.586 9.252 -1.607 345 HD22 ASN 48 2HD2 ASN 48 -11.403 10.375 -2.907 346 H TYR 49 H TYR 49 -6.821 6.092 -3.397 347 HA TYR 49 HA TYR 49 -6.177 4.271 -1.218 348 HB2 TYR 49 1HB TYR 49 -4.527 4.905 -3.669 349 HB3 TYR 49 2HB TYR 49 -4.343 3.527 -2.588 350 HD1 TYR 49 1HD TYR 49 -5.951 1.673 -2.655 351 HD2 TYR 49 2HD TYR 49 -6.219 4.929 -5.380 352 HE1 TYR 49 1HE TYR 49 -7.456 0.348 -4.080 353 HE2 TYR 49 2HE TYR 49 -7.725 3.614 -6.812 354 HH TYR 49 HH TYR 49 -9.406 1.163 -5.954 355 H GLU 50 H GLU 50 -5.379 5.190 0.559 356 HA GLU 50 HA GLU 50 -3.384 7.335 0.247 357 HB2 GLU 50 1HB GLU 50 -5.223 8.246 1.419 358 HB3 GLU 50 2HB GLU 50 -5.409 6.804 2.408 359 HG2 GLU 50 1HG GLU 50 -3.598 7.338 3.756 360 HG3 GLU 50 2HG GLU 50 -2.923 8.456 2.572 361 H TRP 51 H TRP 51 -1.438 6.390 0.338 362 HA TRP 51 HA TRP 51 -0.954 4.170 2.151 363 HB2 TRP 51 1HB TRP 51 0.770 5.531 0.076 364 HB3 TRP 51 2HB TRP 51 1.349 4.228 1.111 365 HD1 TRP 51 HD TRP 51 -0.903 4.893 -1.891 366 HE1 TRP 51 1HE TRP 51 -1.524 2.645 -2.978 367 HE3 TRP 51 3HE TRP 51 0.996 1.729 1.647 368 HZ2 TRP 51 2HZ TRP 51 -1.247 -0.106 -2.411 369 HZ3 TRP 51 3HZ TRP 51 0.776 -0.697 1.299 370 HH2 TRP 51 HH TRP 51 -0.323 -1.594 -0.688 371 H ASN 52 H ASN 52 0.818 4.173 3.668 372 HA ASN 52 HA ASN 52 2.116 6.602 4.415 373 HB2 ASN 52 1HB ASN 52 -0.314 5.704 5.914 374 HB3 ASN 52 2HB ASN 52 1.016 6.440 6.804 375 HD21 ASN 52 1HD2 ASN 52 -1.587 6.945 4.621 376 HD22 ASN 52 2HD2 ASN 52 -1.470 8.667 4.535 377 H LEU 53 H LEU 53 3.803 6.262 5.842 378 HA LEU 53 HA LEU 53 4.440 3.453 6.335 379 HB2 LEU 53 1HB LEU 53 6.045 5.010 5.190 380 HB3 LEU 53 2HB LEU 53 6.207 5.860 6.725 381 HG LEU 53 HG LEU 53 7.249 3.972 7.745 382 HD11 LEU 53 1HD1 LEU 53 7.714 1.960 6.137 383 HD12 LEU 53 2HD1 LEU 53 6.253 2.533 5.334 384 HD13 LEU 53 3HD1 LEU 53 6.198 2.062 7.032 385 HD21 LEU 53 1HD2 LEU 53 8.518 5.463 6.054 386 HD22 LEU 53 2HD2 LEU 53 8.514 4.025 5.033 387 HD23 LEU 53 3HD2 LEU 53 9.277 3.976 6.623 388 H ILE 54 H ILE 54 3.576 2.744 8.192 389 HA ILE 54 HA ILE 54 3.629 4.468 10.556 390 HB ILE 54 HB ILE 54 2.156 2.831 11.598 391 HG12 ILE 54 1HG1 ILE 54 3.229 0.900 10.242 392 HG13 ILE 54 2HG1 ILE 54 1.513 0.806 10.621 393 HG21 ILE 54 1HG2 ILE 54 0.413 2.894 9.494 394 HG22 ILE 54 2HG2 ILE 54 0.678 4.209 10.638 395 HG23 ILE 54 3HG2 ILE 54 1.530 4.200 9.094 396 HD11 ILE 54 1HD1 ILE 54 1.059 0.585 8.473 397 HD12 ILE 54 2HD1 ILE 54 1.788 2.157 8.148 398 HD13 ILE 54 3HD1 ILE 54 2.777 0.698 8.095 399 H SER 55 H SER 55 5.044 1.568 9.249 400 HA SER 55 HA SER 55 6.615 1.263 11.725 401 HB2 SER 55 1HB SER 55 4.940 -0.619 10.923 402 HB3 SER 55 2HB SER 55 6.266 -1.030 9.836 403 HG SER 55 HG SER 55 6.036 -1.807 12.276 404 H HIS 56 H HIS 56 8.641 1.893 11.452 405 HA HIS 56 HA HIS 56 10.329 0.870 9.442 406 HB2 HIS 56 1HB HIS 56 10.809 2.974 8.221 407 HB3 HIS 56 2HB HIS 56 9.166 2.398 7.956 408 HD1 HIS 56 1HD HIS 56 10.699 5.441 8.197 409 HD2 HIS 56 2HD HIS 56 7.545 3.775 10.327 410 HE1 HIS 56 1HE HIS 56 9.433 7.390 9.157 411 HE2 HIS 56 2HE HIS 56 7.579 6.354 10.512 412 HA PRO 57 HA PRO 57 13.314 2.124 12.408 413 HB2 PRO 57 1HB PRO 57 15.544 2.210 10.863 414 HB3 PRO 57 2HB PRO 57 14.772 0.697 11.351 415 HG2 PRO 57 1HG PRO 57 14.556 2.185 8.762 416 HG3 PRO 57 2HG PRO 57 14.737 0.443 9.040 417 HD2 PRO 57 1HD PRO 57 12.352 1.585 8.461 418 HD3 PRO 57 2HD PRO 57 12.498 0.157 9.504 419 H THR 58 H THR 58 13.842 4.025 13.286 420 HA THR 58 HA THR 58 13.269 6.485 12.195 421 HB THR 58 HB THR 58 13.812 5.949 14.626 422 HG1 THR 58 1HG THR 58 15.225 8.253 13.868 423 HG21 THR 58 1HG2 THR 58 15.954 4.928 14.450 424 HG22 THR 58 2HG2 THR 58 16.203 6.485 15.241 425 HG23 THR 58 3HG2 THR 58 16.600 6.289 13.535 426 H ASP 59 H ASP 59 16.028 4.489 11.642 427 HA ASP 59 HA ASP 59 17.898 6.415 10.825 428 HB2 ASP 59 1HB ASP 59 17.541 3.543 9.945 429 HB3 ASP 59 2HB ASP 59 18.944 4.533 9.553 430 H TYR 60 H TYR 60 15.220 4.899 9.148 431 HA TYR 60 HA TYR 60 15.909 5.679 6.527 432 HB2 TYR 60 1HB TYR 60 14.230 3.953 6.991 433 HB3 TYR 60 2HB TYR 60 13.175 5.161 7.716 434 HD1 TYR 60 1HD TYR 60 15.062 4.726 4.511 435 HD2 TYR 60 2HD TYR 60 11.422 5.856 6.401 436 HE1 TYR 60 1HE TYR 60 14.061 5.163 2.307 437 HE2 TYR 60 2HE TYR 60 10.410 6.294 4.203 438 HH TYR 60 HH TYR 60 11.749 5.242 1.319 439 H GLN 61 H GLN 61 15.504 7.492 5.359 440 HA GLN 61 HA GLN 61 14.242 9.739 6.787 441 HB2 GLN 61 1HB GLN 61 16.529 9.805 4.812 442 HB3 GLN 61 2HB GLN 61 15.738 11.229 5.476 443 HG2 GLN 61 1HG GLN 61 16.639 10.921 7.573 444 HG3 GLN 61 2HG GLN 61 16.913 9.199 7.317 445 HE21 GLN 61 1HE2 GLN 61 18.986 10.198 8.344 446 HE22 GLN 61 2HE2 GLN 61 20.229 10.597 7.212 447 H GLY 62 H GLY 62 14.520 7.943 3.817 448 HA2 GLY 62 1HA GLY 62 13.442 9.472 1.876 449 HA3 GLY 62 2HA GLY 62 12.980 7.790 2.092 450 H GLU 63 H GLU 63 11.416 10.104 1.142 451 HA GLU 63 HA GLU 63 9.268 10.007 3.157 452 HB2 GLU 63 1HB GLU 63 10.262 12.270 1.469 453 HB3 GLU 63 2HB GLU 63 8.570 12.227 1.943 454 HG2 GLU 63 1HG GLU 63 10.783 11.989 3.950 455 HG3 GLU 63 2HG GLU 63 10.172 13.551 3.407 456 H ILE 64 H ILE 64 7.395 9.165 2.508 457 HA ILE 64 HA ILE 64 7.084 8.494 -0.322 458 HB ILE 64 HB ILE 64 5.392 7.564 1.998 459 HG12 ILE 64 1HG1 ILE 64 7.422 5.815 0.681 460 HG13 ILE 64 2HG1 ILE 64 7.978 6.985 1.873 461 HG21 ILE 64 1HG2 ILE 64 4.091 6.724 0.408 462 HG22 ILE 64 2HG2 ILE 64 5.201 7.269 -0.848 463 HG23 ILE 64 3HG2 ILE 64 5.432 5.694 -0.090 464 HD11 ILE 64 1HD1 ILE 64 6.748 5.978 3.590 465 HD12 ILE 64 2HD1 ILE 64 5.768 5.047 2.456 466 HD13 ILE 64 3HD1 ILE 64 7.468 4.643 2.691 467 H LYS 65 H LYS 65 5.306 9.079 -1.535 468 HA LYS 65 HA LYS 65 3.916 11.460 -0.619 469 HB2 LYS 65 1HB LYS 65 4.128 10.059 -3.275 470 HB3 LYS 65 2HB LYS 65 2.980 11.365 -3.011 471 HG2 LYS 65 1HG LYS 65 4.994 12.736 -2.238 472 HG3 LYS 65 2HG LYS 65 5.975 11.468 -2.978 473 HD2 LYS 65 1HD LYS 65 3.760 12.710 -4.549 474 HD3 LYS 65 2HD LYS 65 5.279 13.589 -4.352 475 HE2 LYS 65 1HE LYS 65 5.574 12.399 -6.337 476 HE3 LYS 65 2HE LYS 65 6.405 11.420 -5.130 477 HZ1 LYS 65 1HZ LYS 65 3.588 10.882 -5.813 478 HZ2 LYS 65 2HZ LYS 65 4.739 9.836 -5.148 479 HZ3 LYS 65 3HZ LYS 65 4.835 10.271 -6.779 480 H GLN 66 H GLN 66 3.256 8.927 0.624 481 HA GLN 66 HA GLN 66 1.478 7.588 1.150 482 HB2 GLN 66 1HB GLN 66 0.060 10.185 0.534 483 HB3 GLN 66 2HB GLN 66 -0.664 8.830 1.391 484 HG2 GLN 66 1HG GLN 66 0.557 9.193 3.288 485 HG3 GLN 66 2HG GLN 66 1.881 9.968 2.420 486 HE21 GLN 66 1HE2 GLN 66 1.468 12.122 1.556 487 HE22 GLN 66 2HE2 GLN 66 0.411 13.179 2.421 488 H GLY 67 H GLY 67 2.283 7.687 -1.719 489 HA2 GLY 67 1HA GLY 67 1.402 7.217 -3.832 490 HA3 GLY 67 2HA GLY 67 0.780 5.857 -2.911 491 H HIS 68 H HIS 68 0.033 9.022 -4.220 492 HA HIS 68 HA HIS 68 -2.639 9.186 -3.341 493 HB2 HIS 68 1HB HIS 68 -1.463 10.368 -5.865 494 HB3 HIS 68 2HB HIS 68 -2.915 10.909 -5.028 495 HD1 HIS 68 1HD HIS 68 -2.012 11.211 -2.193 496 HD2 HIS 68 2HD HIS 68 0.371 12.298 -5.418 497 HE1 HIS 68 1HE HIS 68 -0.374 12.888 -1.283 498 HE2 HIS 68 2HE HIS 68 1.002 13.595 -3.271 499 H LYS 69 H LYS 69 -1.235 6.997 -5.408 500 HA LYS 69 HA LYS 69 -3.766 6.524 -6.840 501 HB2 LYS 69 1HB LYS 69 -0.905 5.982 -7.591 502 HB3 LYS 69 2HB LYS 69 -2.225 5.112 -8.363 503 HG2 LYS 69 1HG LYS 69 -2.957 6.945 -9.499 504 HG3 LYS 69 2HG LYS 69 -2.378 8.075 -8.273 505 HD2 LYS 69 1HD LYS 69 -0.026 7.360 -9.011 506 HD3 LYS 69 2HD LYS 69 -0.824 6.679 -10.430 507 HE2 LYS 69 1HE LYS 69 -0.329 8.773 -11.208 508 HE3 LYS 69 2HE LYS 69 -1.934 9.062 -10.537 509 HZ1 LYS 69 1HZ LYS 69 0.136 10.581 -9.960 510 HZ2 LYS 69 2HZ LYS 69 0.338 9.423 -8.744 511 HZ3 LYS 69 3HZ LYS 69 -1.107 10.296 -8.849 512 H GLN 70 H GLN 70 -3.723 4.027 -7.579 513 HA GLN 70 HA GLN 70 -4.106 2.562 -5.165 514 HB2 GLN 70 1HB GLN 70 -5.573 2.025 -6.932 515 HB3 GLN 70 2HB GLN 70 -4.255 1.843 -8.083 516 HG2 GLN 70 1HG GLN 70 -4.376 0.019 -5.736 517 HG3 GLN 70 2HG GLN 70 -5.482 -0.242 -7.085 518 HE21 GLN 70 1HE2 GLN 70 -4.582 -0.626 -9.174 519 HE22 GLN 70 2HE2 GLN 70 -3.006 -1.316 -9.331 520 H THR 71 H THR 71 -1.517 2.851 -7.464 521 HA THR 71 HA THR 71 -0.058 0.678 -6.114 522 HB THR 71 HB THR 71 1.519 1.036 -8.182 523 HG1 THR 71 1HG THR 71 0.730 2.335 -9.643 524 HG21 THR 71 1HG2 THR 71 -1.121 -0.254 -8.789 525 HG22 THR 71 2HG2 THR 71 -0.046 -0.928 -7.564 526 HG23 THR 71 3HG2 THR 71 0.502 -0.781 -9.233 527 H LEU 72 H LEU 72 1.852 1.069 -5.112 528 HA LEU 72 HA LEU 72 2.842 3.845 -5.154 529 HB2 LEU 72 1HB LEU 72 1.782 3.279 -3.028 530 HB3 LEU 72 2HB LEU 72 2.851 1.889 -2.859 531 HG LEU 72 HG LEU 72 4.773 3.533 -2.817 532 HD11 LEU 72 1HD1 LEU 72 4.460 5.765 -2.799 533 HD12 LEU 72 2HD1 LEU 72 2.922 5.654 -1.944 534 HD13 LEU 72 3HD1 LEU 72 2.989 5.349 -3.679 535 HD21 LEU 72 1HD2 LEU 72 3.158 4.262 -0.487 536 HD22 LEU 72 2HD2 LEU 72 4.709 3.427 -0.580 537 HD23 LEU 72 3HD2 LEU 72 3.209 2.531 -0.821 538 H ASN 73 H ASN 73 4.935 4.148 -5.622 539 HA ASN 73 HA ASN 73 6.647 1.758 -5.823 540 HB2 ASN 73 1HB ASN 73 6.272 4.111 -7.598 541 HB3 ASN 73 2HB ASN 73 7.913 3.491 -7.438 542 HD21 ASN 73 1HD2 ASN 73 4.625 2.206 -7.828 543 HD22 ASN 73 2HD2 ASN 73 5.040 1.052 -9.045 544 H LEU 74 H LEU 74 8.603 1.758 -4.845 545 HA LEU 74 HA LEU 74 9.303 4.157 -3.290 546 HB2 LEU 74 1HB LEU 74 9.499 1.246 -2.765 547 HB3 LEU 74 2HB LEU 74 10.778 2.271 -2.117 548 HG LEU 74 HG LEU 74 9.116 1.890 -0.420 549 HD11 LEU 74 1HD1 LEU 74 9.373 3.967 0.311 550 HD12 LEU 74 2HD1 LEU 74 8.253 4.590 -0.900 551 HD13 LEU 74 3HD1 LEU 74 9.962 4.406 -1.293 552 HD21 LEU 74 1HD2 LEU 74 7.217 2.732 -2.573 553 HD22 LEU 74 2HD2 LEU 74 6.795 2.953 -0.875 554 HD23 LEU 74 3HD2 LEU 74 7.141 1.338 -1.495 555 H SER 75 H SER 75 11.500 4.780 -3.130 556 HA SER 75 HA SER 75 13.400 3.528 -4.955 557 HB2 SER 75 1HB SER 75 13.772 5.377 -6.307 558 HB3 SER 75 2HB SER 75 12.030 5.485 -6.055 559 HG SER 75 HG SER 75 12.644 7.464 -5.517 560 H GLN 76 H GLN 76 15.602 4.208 -4.600 561 HA GLN 76 HA GLN 76 17.368 4.517 -3.192 562 HB2 GLN 76 1HB GLN 76 15.785 6.888 -2.199 563 HB3 GLN 76 2HB GLN 76 17.532 6.687 -2.173 564 HG2 GLN 76 1HG GLN 76 17.599 6.772 -4.598 565 HG3 GLN 76 2HG GLN 76 15.843 6.913 -4.654 566 HE21 GLN 76 1HE2 GLN 76 18.831 8.523 -3.961 567 HE22 GLN 76 2HE2 GLN 76 18.185 10.122 -3.853 568 H LEU 77 H LEU 77 15.355 2.748 -2.230 569 HA LEU 77 HA LEU 77 14.799 3.269 0.518 570 HB2 LEU 77 1HB LEU 77 14.578 0.884 -1.270 571 HB3 LEU 77 2HB LEU 77 14.374 0.702 0.471 572 HG LEU 77 HG LEU 77 12.714 2.533 -1.259 573 HD11 LEU 77 1HD1 LEU 77 12.010 0.475 -1.992 574 HD12 LEU 77 2HD1 LEU 77 10.959 0.712 -0.596 575 HD13 LEU 77 3HD1 LEU 77 12.382 -0.321 -0.462 576 HD21 LEU 77 1HD2 LEU 77 12.764 1.846 1.643 577 HD22 LEU 77 2HD2 LEU 77 11.222 2.212 0.868 578 HD23 LEU 77 3HD2 LEU 77 12.521 3.406 0.857 579 H SER 78 H SER 78 15.633 2.091 2.339 580 HA SER 78 HA SER 78 18.420 1.212 1.954 581 HB2 SER 78 1HB SER 78 17.149 2.886 4.096 582 HB3 SER 78 2HB SER 78 18.583 1.928 4.467 583 HG SER 78 HG SER 78 19.141 3.123 2.231 584 H VAL 79 H VAL 79 19.192 -0.222 3.794 585 HA VAL 79 HA VAL 79 17.546 -2.526 3.902 586 HB VAL 79 HB VAL 79 20.026 -1.877 5.501 587 HG11 VAL 79 1HG1 VAL 79 20.107 -4.053 6.235 588 HG12 VAL 79 2HG1 VAL 79 18.366 -3.763 6.245 589 HG13 VAL 79 3HG1 VAL 79 19.105 -4.651 4.912 590 HG21 VAL 79 1HG2 VAL 79 19.595 -3.205 2.841 591 HG22 VAL 79 2HG2 VAL 79 20.636 -1.835 3.229 592 HG23 VAL 79 3HG2 VAL 79 21.062 -3.453 3.788 593 H GLY 80 H GLY 80 15.875 -2.894 5.195 594 HA2 GLY 80 1HA GLY 80 15.769 -2.865 7.904 595 HA3 GLY 80 2HA GLY 80 15.372 -1.206 7.482 596 H LEU 81 H LEU 81 13.491 -2.459 8.835 597 HA LEU 81 HA LEU 81 11.625 -3.764 7.035 598 HB2 LEU 81 1HB LEU 81 11.830 -4.634 9.274 599 HB3 LEU 81 2HB LEU 81 11.455 -3.054 9.958 600 HG LEU 81 HG LEU 81 9.172 -3.232 9.019 601 HD11 LEU 81 1HD1 LEU 81 10.235 -5.174 7.407 602 HD12 LEU 81 2HD1 LEU 81 8.516 -4.865 7.646 603 HD13 LEU 81 3HD1 LEU 81 9.326 -6.113 8.592 604 HD21 LEU 81 1HD2 LEU 81 9.925 -4.059 11.338 605 HD22 LEU 81 2HD2 LEU 81 9.721 -5.676 10.665 606 HD23 LEU 81 3HD2 LEU 81 8.348 -4.570 10.735 607 H TYR 82 H TYR 82 9.843 -2.868 6.159 608 HA TYR 82 HA TYR 82 8.990 -0.215 7.051 609 HB2 TYR 82 1HB TYR 82 9.392 -0.822 4.123 610 HB3 TYR 82 2HB TYR 82 9.024 0.732 4.864 611 HD1 TYR 82 2HD TYR 82 10.809 1.702 6.467 612 HD2 TYR 82 1HD TYR 82 11.600 -1.398 3.662 613 HE1 TYR 82 2HE TYR 82 13.211 2.220 6.580 614 HE2 TYR 82 1HE TYR 82 14.004 -0.889 3.768 615 HH TYR 82 HH TYR 82 15.599 0.166 5.237 616 H VAL 83 H VAL 83 6.880 -0.255 7.398 617 HA VAL 83 HA VAL 83 5.238 -2.195 5.910 618 HB VAL 83 HB VAL 83 4.694 -0.910 8.590 619 HG11 VAL 83 1HG1 VAL 83 2.821 -2.577 8.669 620 HG12 VAL 83 2HG1 VAL 83 2.609 -1.276 7.495 621 HG13 VAL 83 3HG1 VAL 83 3.107 -2.881 6.956 622 HG21 VAL 83 1HG2 VAL 83 5.054 -3.118 9.521 623 HG22 VAL 83 2HG2 VAL 83 5.371 -3.772 7.913 624 HG23 VAL 83 3HG2 VAL 83 6.484 -2.604 8.625 625 H PHE 84 H PHE 84 3.940 -1.387 4.413 626 HA PHE 84 HA PHE 84 3.188 1.448 4.567 627 HB2 PHE 84 1HB PHE 84 2.922 -0.351 2.159 628 HB3 PHE 84 2HB PHE 84 2.888 1.409 2.203 629 HD1 PHE 84 2HD PHE 84 5.040 2.593 2.967 630 HD2 PHE 84 1HD PHE 84 4.896 -1.469 1.706 631 HE1 PHE 84 2HE PHE 84 7.458 2.651 2.518 632 HE2 PHE 84 1HE PHE 84 7.314 -1.419 1.256 633 HZ PHE 84 HZ PHE 84 8.598 0.643 1.661 634 H LYS 85 H LYS 85 1.220 1.886 5.281 635 HA LYS 85 HA LYS 85 -0.867 -0.164 5.083 636 HB2 LYS 85 1HB LYS 85 -0.694 0.535 7.310 637 HB3 LYS 85 2HB LYS 85 -0.461 2.220 6.862 638 HG2 LYS 85 1HG LYS 85 -2.893 1.993 5.925 639 HG3 LYS 85 2HG LYS 85 -2.975 0.635 7.050 640 HD2 LYS 85 1HD LYS 85 -1.848 3.151 8.114 641 HD3 LYS 85 2HD LYS 85 -3.572 3.166 7.734 642 HE2 LYS 85 1HE LYS 85 -2.505 0.850 9.257 643 HE3 LYS 85 2HE LYS 85 -2.648 2.392 10.101 644 HZ1 LYS 85 1HZ LYS 85 -5.011 2.419 9.220 645 HZ2 LYS 85 2HZ LYS 85 -4.671 1.314 10.455 646 HZ3 LYS 85 3HZ LYS 85 -4.792 0.782 8.854 647 H VAL 86 H VAL 86 -2.279 -0.003 3.482 648 HA VAL 86 HA VAL 86 -2.700 2.593 2.192 649 HB VAL 86 HB VAL 86 -2.173 0.947 0.588 650 HG11 VAL 86 1HG1 VAL 86 -2.391 -1.081 1.751 651 HG12 VAL 86 2HG1 VAL 86 -4.102 -0.805 2.084 652 HG13 VAL 86 3HG1 VAL 86 -3.570 -1.180 0.444 653 HG21 VAL 86 1HG2 VAL 86 -5.184 1.128 0.595 654 HG22 VAL 86 2HG2 VAL 86 -4.100 2.395 0.020 655 HG23 VAL 86 3HG2 VAL 86 -4.145 0.835 -0.800 656 H THR 87 H THR 87 -4.134 3.614 3.558 657 HA THR 87 HA THR 87 -6.559 2.283 4.410 658 HB THR 87 HB THR 87 -6.287 5.224 4.724 659 HG1 THR 87 1HG THR 87 -4.691 5.045 6.255 660 HG21 THR 87 1HG2 THR 87 -7.605 4.895 6.532 661 HG22 THR 87 2HG2 THR 87 -6.750 3.431 7.018 662 HG23 THR 87 3HG2 THR 87 -7.965 3.360 5.742 663 H VAL 88 H VAL 88 -7.981 1.923 2.801 664 HA VAL 88 HA VAL 88 -8.651 4.170 1.019 665 HB VAL 88 HB VAL 88 -9.064 1.207 0.598 666 HG11 VAL 88 1HG1 VAL 88 -9.961 3.604 -0.958 667 HG12 VAL 88 2HG1 VAL 88 -9.665 2.061 -1.762 668 HG13 VAL 88 3HG1 VAL 88 -10.879 2.175 -0.487 669 HG21 VAL 88 1HG2 VAL 88 -6.775 2.672 0.262 670 HG22 VAL 88 2HG2 VAL 88 -7.159 1.170 -0.579 671 HG23 VAL 88 3HG2 VAL 88 -7.496 2.722 -1.347 672 H SER 89 H SER 89 -10.340 5.237 1.844 673 HA SER 89 HA SER 89 -12.713 3.668 2.594 674 HB2 SER 89 1HB SER 89 -11.825 6.191 4.009 675 HB3 SER 89 2HB SER 89 -13.180 5.149 4.442 676 HG SER 89 HG SER 89 -11.111 4.885 5.635 677 H SER 90 H SER 90 -14.737 4.747 2.291 678 HA SER 90 HA SER 90 -14.611 7.061 0.474 679 HB2 SER 90 1HB SER 90 -15.177 4.666 -0.503 680 HB3 SER 90 2HB SER 90 -16.779 5.029 0.140 681 HG SER 90 HG SER 90 -15.391 6.870 -1.490 682 H GLU 91 H GLU 91 -17.164 7.702 0.143 683 HA GLU 91 HA GLU 91 -17.895 9.096 2.398 684 HB2 GLU 91 1HB GLU 91 -18.839 9.625 0.240 685 HB3 GLU 91 2HB GLU 91 -19.642 8.063 0.161 686 HG2 GLU 91 1HG GLU 91 -21.152 9.939 0.718 687 HG3 GLU 91 2HG GLU 91 -21.130 8.660 1.931 688 H ASN 92 H ASN 92 -19.384 6.058 1.264 689 HA ASN 92 HA ASN 92 -20.258 5.570 4.035 690 HB2 ASN 92 1HB ASN 92 -22.022 4.094 2.952 691 HB3 ASN 92 2HB ASN 92 -22.212 5.828 2.708 692 HD21 ASN 92 1HD2 ASN 92 -22.915 6.240 0.753 693 HD22 ASN 92 2HD2 ASN 92 -22.424 5.444 -0.700 694 H ALA 93 H ALA 93 -17.680 4.874 3.155 695 HA ALA 93 HA ALA 93 -17.746 2.032 3.684 696 HB1 ALA 93 1HB ALA 93 -16.261 2.915 1.228 697 HB2 ALA 93 2HB ALA 93 -16.654 1.276 1.751 698 HB3 ALA 93 3HB ALA 93 -17.928 2.343 1.160 699 H PHE 94 H PHE 94 -15.555 1.150 4.052 700 HA PHE 94 HA PHE 94 -13.362 2.975 4.365 701 HB2 PHE 94 1HB PHE 94 -14.820 3.424 6.379 702 HB3 PHE 94 2HB PHE 94 -14.503 1.769 6.888 703 HD1 PHE 94 2HD PHE 94 -11.862 1.181 6.793 704 HD2 PHE 94 1HD PHE 94 -13.556 5.042 7.378 705 HE1 PHE 94 2HE PHE 94 -9.792 1.918 7.899 706 HE2 PHE 94 1HE PHE 94 -11.488 5.786 8.484 707 HZ PHE 94 HZ PHE 94 -9.603 4.223 8.747 708 H GLY 95 H GLY 95 -11.438 1.921 4.382 709 HA2 GLY 95 1HA GLY 95 -11.178 -0.799 5.264 710 HA3 GLY 95 2HA GLY 95 -11.173 -0.658 3.513 711 H GLU 96 H GLU 96 -9.018 -1.621 5.108 712 HA GLU 96 HA GLU 96 -6.932 0.099 4.102 713 HB2 GLU 96 1HB GLU 96 -5.784 0.147 6.376 714 HB3 GLU 96 2HB GLU 96 -7.154 1.227 6.161 715 HG2 GLU 96 1HG GLU 96 -7.507 0.328 8.260 716 HG3 GLU 96 2HG GLU 96 -8.542 -0.652 7.223 717 H GLY 97 H GLY 97 -4.799 -0.889 4.258 718 HA2 GLY 97 1HA GLY 97 -4.881 -3.781 4.822 719 HA3 GLY 97 2HA GLY 97 -4.255 -3.196 3.288 720 H PHE 98 H PHE 98 -2.569 -4.716 4.604 721 HA PHE 98 HA PHE 98 -0.540 -2.826 5.528 722 HB2 PHE 98 1HB PHE 98 -1.741 -5.017 7.134 723 HB3 PHE 98 2HB PHE 98 0.007 -4.826 7.236 724 HD1 PHE 98 2HD PHE 98 -3.131 -2.829 7.452 725 HD2 PHE 98 1HD PHE 98 0.883 -3.349 8.769 726 HE1 PHE 98 2HE PHE 98 -3.432 -1.006 9.076 727 HE2 PHE 98 1HE PHE 98 0.589 -1.527 10.396 728 HZ PHE 98 HZ PHE 98 -1.570 -0.352 10.550 729 H VAL 99 H VAL 99 1.354 -3.193 4.578 730 HA VAL 99 HA VAL 99 2.033 -5.908 3.709 731 HB VAL 99 HB VAL 99 1.111 -4.940 1.716 732 HG11 VAL 99 1HG1 VAL 99 2.407 -2.536 2.704 733 HG12 VAL 99 2HG1 VAL 99 2.717 -2.813 0.989 734 HG13 VAL 99 3HG1 VAL 99 1.058 -2.714 1.582 735 HG21 VAL 99 1HG2 VAL 99 3.744 -5.852 1.938 736 HG22 VAL 99 2HG2 VAL 99 2.740 -5.826 0.488 737 HG23 VAL 99 3HG2 VAL 99 3.814 -4.472 0.841 738 H ASN 100 H ASN 100 3.983 -6.411 4.439 739 HA ASN 100 HA ASN 100 5.805 -4.284 5.255 740 HB2 ASN 100 1HB ASN 100 6.034 -7.273 5.673 741 HB3 ASN 100 2HB ASN 100 7.033 -6.034 6.427 742 HD21 ASN 100 1HD2 ASN 100 6.443 -6.736 8.483 743 HD22 ASN 100 2HD2 ASN 100 4.885 -6.402 9.150 744 H VAL 101 H VAL 101 7.883 -4.042 4.476 745 HA VAL 101 HA VAL 101 8.682 -5.736 2.213 746 HB VAL 101 HB VAL 101 8.636 -2.719 2.234 747 HG11 VAL 101 1HG1 VAL 101 10.278 -4.627 0.674 748 HG12 VAL 101 2HG1 VAL 101 9.572 -3.267 -0.201 749 HG13 VAL 101 3HG1 VAL 101 10.631 -2.975 1.179 750 HG21 VAL 101 1HG2 VAL 101 6.587 -3.276 1.415 751 HG22 VAL 101 2HG2 VAL 101 7.514 -3.396 -0.081 752 HG23 VAL 101 3HG2 VAL 101 7.123 -4.852 0.834 753 H THR 102 H THR 102 10.611 -6.570 2.613 754 HA THR 102 HA THR 102 12.434 -5.147 4.423 755 HB THR 102 HB THR 102 12.616 -8.024 3.519 756 HG1 THR 102 1HG THR 102 11.531 -6.944 5.926 757 HG21 THR 102 1HG2 THR 102 14.732 -7.375 4.291 758 HG22 THR 102 2HG2 THR 102 13.976 -8.125 5.697 759 HG23 THR 102 3HG2 THR 102 14.055 -6.368 5.570 760 H VAL 103 H VAL 103 14.487 -4.594 3.831 761 HA VAL 103 HA VAL 103 15.190 -5.023 0.999 762 HB VAL 103 HB VAL 103 15.871 -2.684 2.785 763 HG11 VAL 103 1HG1 VAL 103 16.930 -3.555 0.141 764 HG12 VAL 103 2HG1 VAL 103 16.731 -1.829 0.453 765 HG13 VAL 103 3HG1 VAL 103 17.766 -2.802 1.499 766 HG21 VAL 103 1HG2 VAL 103 13.625 -2.509 2.010 767 HG22 VAL 103 2HG2 VAL 103 14.602 -1.418 1.028 768 HG23 VAL 103 3HG2 VAL 103 14.090 -2.973 0.373 769 H LYS 104 H LYS 104 16.585 -6.691 1.017 770 HA LYS 104 HA LYS 104 18.515 -7.070 3.109 771 HB2 LYS 104 1HB LYS 104 18.324 -8.446 0.424 772 HB3 LYS 104 2HB LYS 104 19.251 -8.996 1.814 773 HG2 LYS 104 1HG LYS 104 16.281 -8.631 1.962 774 HG3 LYS 104 2HG LYS 104 17.006 -10.118 1.346 775 HD2 LYS 104 1HD LYS 104 18.375 -10.079 3.539 776 HD3 LYS 104 2HD LYS 104 17.146 -8.943 4.101 777 HE2 LYS 104 1HE LYS 104 16.329 -10.997 4.813 778 HE3 LYS 104 2HE LYS 104 15.460 -10.725 3.303 779 HZ1 LYS 104 1HZ LYS 104 17.709 -12.567 3.822 780 HZ2 LYS 104 2HZ LYS 104 17.333 -12.069 2.250 781 HZ3 LYS 104 3HZ LYS 104 16.188 -12.913 3.166 782 HA PRO 105 HA PRO 105 21.822 -4.665 1.489 783 HB2 PRO 105 1HB PRO 105 23.924 -5.993 2.579 784 HB3 PRO 105 2HB PRO 105 22.844 -4.962 3.525 785 HG2 PRO 105 1HG PRO 105 22.846 -7.941 3.237 786 HG3 PRO 105 2HG PRO 105 22.627 -6.959 4.697 787 HD2 PRO 105 1HD PRO 105 20.550 -8.078 3.368 788 HD3 PRO 105 2HD PRO 105 20.411 -6.531 4.227 789 H ALA 106 H ALA 106 23.441 -4.677 -0.088 790 HA ALA 106 HA ALA 106 23.193 -6.523 -2.165 791 HB1 ALA 106 1HB ALA 106 24.172 -4.127 -2.154 792 HB2 ALA 106 2HB ALA 106 25.699 -4.932 -1.792 793 HB3 ALA 106 3HB ALA 106 24.829 -5.318 -3.277 794 H ARG 107 H ARG 107 23.632 -8.627 -1.949 795 HA ARG 107 HA ARG 107 25.592 -9.675 -0.185 796 HB2 ARG 107 1HB ARG 107 23.996 -10.885 -2.438 797 HB3 ARG 107 2HB ARG 107 25.161 -11.819 -1.508 798 HG2 ARG 107 1HG ARG 107 23.819 -10.951 0.542 799 HG3 ARG 107 2HG ARG 107 22.553 -10.656 -0.651 800 HD2 ARG 107 1HD ARG 107 23.034 -13.098 -1.385 801 HD3 ARG 107 2HD ARG 107 23.789 -13.245 0.201 802 HE ARG 107 HE ARG 107 21.699 -13.404 1.078 803 HH11 ARG 107 2HH1 ARG 107 21.490 -11.649 -1.921 804 HH12 ARG 107 1HH1 ARG 107 19.766 -11.494 -1.862 805 HH21 ARG 107 2HH2 ARG 107 19.428 -13.207 1.168 806 HH22 ARG 107 1HH2 ARG 107 18.594 -12.379 -0.104 807 H SER 108 H SER 108 27.615 -8.873 -0.606 808 HA SER 108 HA SER 108 28.747 -9.454 -3.262 809 HB2 SER 108 1HB SER 108 28.910 -7.116 -2.871 810 HB3 SER 108 2HB SER 108 29.449 -7.355 -1.209 811 HG SER 108 HG SER 108 30.949 -7.062 -3.341 812 H GLY 109 H GLY 109 29.352 -11.582 -2.878 813 HA2 GLY 109 1HA GLY 109 30.573 -13.330 -1.995 814 HA3 GLY 109 2HA GLY 109 31.873 -12.147 -2.019 815 HA PRO 110 HA PRO 110 31.528 -13.458 2.350 816 HB2 PRO 110 1HB PRO 110 34.181 -13.182 2.858 817 HB3 PRO 110 2HB PRO 110 33.488 -14.637 2.130 818 HG2 PRO 110 1HG PRO 110 34.876 -12.336 0.811 819 HG3 PRO 110 2HG PRO 110 35.050 -14.073 0.502 820 HD2 PRO 110 1HD PRO 110 33.551 -12.456 -1.070 821 HD3 PRO 110 2HD PRO 110 33.144 -14.162 -0.791 822 H SER 111 H SER 111 30.587 -11.803 3.411 823 HA SER 111 HA SER 111 31.176 -9.106 3.222 824 HB2 SER 111 1HB SER 111 29.176 -10.256 4.360 825 HB3 SER 111 2HB SER 111 30.207 -10.360 5.787 826 HG SER 111 HG SER 111 28.981 -8.165 4.636 827 H SER 112 H SER 112 32.142 -11.264 5.896 828 HA SER 112 HA SER 112 34.034 -9.351 6.897 829 HB2 SER 112 1HB SER 112 34.598 -11.112 8.537 830 HB3 SER 112 2HB SER 112 32.858 -10.848 8.436 831 HG SER 112 HG SER 112 33.235 -12.675 6.701 832 H GLY 113 H GLY 113 35.427 -9.032 5.108 833 HA2 GLY 113 1HA GLY 113 36.784 -11.040 3.714 834 HA3 GLY 113 2HA GLY 113 37.348 -9.386 3.904 Start of MODEL 20 1 H1 GLY 1 H GLY 1 -27.444 13.741 31.241 2 HA2 GLY 1 1HA GLY 1 -28.673 15.057 28.983 3 HA3 GLY 1 2HA GLY 1 -27.194 14.196 28.584 4 H SER 2 H SER 2 -30.483 13.942 28.729 5 HA SER 2 HA SER 2 -30.965 11.376 29.709 6 HB2 SER 2 1HB SER 2 -32.785 12.911 29.197 7 HB3 SER 2 2HB SER 2 -32.375 12.866 27.482 8 HG SER 2 HG SER 2 -34.068 11.329 28.658 9 H SER 3 H SER 3 -31.523 9.429 28.453 10 HA SER 3 HA SER 3 -29.614 9.055 26.244 11 HB2 SER 3 1HB SER 3 -29.201 7.656 28.237 12 HB3 SER 3 2HB SER 3 -30.821 6.977 28.088 13 HG SER 3 HG SER 3 -30.214 5.850 26.363 14 H GLY 4 H GLY 4 -30.525 9.065 24.303 15 HA2 GLY 4 1HA GLY 4 -32.579 7.281 23.559 16 HA3 GLY 4 2HA GLY 4 -33.270 8.880 23.792 17 H SER 5 H SER 5 -30.174 7.792 22.410 18 HA SER 5 HA SER 5 -30.808 9.382 20.016 19 HB2 SER 5 1HB SER 5 -28.779 10.044 21.328 20 HB3 SER 5 2HB SER 5 -28.082 8.466 20.959 21 HG SER 5 HG SER 5 -28.894 9.478 18.674 22 H SER 6 H SER 6 -30.877 8.449 18.052 23 HA SER 6 HA SER 6 -30.097 5.614 17.855 24 HB2 SER 6 1HB SER 6 -32.014 5.195 16.426 25 HB3 SER 6 2HB SER 6 -32.572 5.911 17.938 26 HG SER 6 HG SER 6 -33.038 6.770 15.505 27 H GLY 7 H GLY 7 -29.545 4.885 15.688 28 HA2 GLY 7 1HA GLY 7 -29.310 6.267 13.375 29 HA3 GLY 7 2HA GLY 7 -27.954 6.871 14.316 30 HA PRO 8 HA PRO 8 -27.230 2.133 13.512 31 HB2 PRO 8 1HB PRO 8 -28.698 1.071 11.490 32 HB3 PRO 8 2HB PRO 8 -29.228 1.048 13.177 33 HG2 PRO 8 1HG PRO 8 -30.017 2.909 10.968 34 HG3 PRO 8 2HG PRO 8 -31.035 2.138 12.199 35 HD2 PRO 8 1HD PRO 8 -30.213 4.710 12.392 36 HD3 PRO 8 2HD PRO 8 -30.468 3.680 13.815 37 H ARG 9 H ARG 9 -27.778 4.586 11.157 38 HA ARG 9 HA ARG 9 -26.712 3.798 8.829 39 HB2 ARG 9 1HB ARG 9 -25.797 6.034 8.519 40 HB3 ARG 9 2HB ARG 9 -27.361 6.120 9.319 41 HG2 ARG 9 1HG ARG 9 -25.857 6.117 11.488 42 HG3 ARG 9 2HG ARG 9 -24.655 6.748 10.361 43 HD2 ARG 9 1HD ARG 9 -26.010 8.611 9.816 44 HD3 ARG 9 2HD ARG 9 -27.421 7.904 10.604 45 HE ARG 9 HE ARG 9 -25.381 8.232 12.504 46 HH11 ARG 9 2HH1 ARG 9 -27.561 10.126 10.560 47 HH12 ARG 9 1HH1 ARG 9 -27.626 11.443 11.684 48 HH21 ARG 9 2HH2 ARG 9 -25.458 9.959 13.992 49 HH22 ARG 9 1HH2 ARG 9 -26.429 11.347 13.635 50 H THR 10 H THR 10 -24.963 2.734 8.203 51 HA THR 10 HA THR 10 -22.424 3.180 9.590 52 HB THR 10 HB THR 10 -21.968 0.699 9.500 53 HG1 THR 10 1HG THR 10 -23.485 -0.261 8.320 54 HG21 THR 10 1HG2 THR 10 -22.310 1.212 11.675 55 HG22 THR 10 2HG2 THR 10 -23.824 0.340 11.438 56 HG23 THR 10 3HG2 THR 10 -23.795 2.100 11.339 57 H VAL 11 H VAL 11 -20.596 2.049 8.373 58 HA VAL 11 HA VAL 11 -21.018 2.497 5.501 59 HB VAL 11 HB VAL 11 -18.693 2.930 5.285 60 HG11 VAL 11 1HG1 VAL 11 -20.036 4.749 6.259 61 HG12 VAL 11 2HG1 VAL 11 -19.596 4.190 7.874 62 HG13 VAL 11 3HG1 VAL 11 -18.353 4.805 6.783 63 HG21 VAL 11 1HG2 VAL 11 -17.864 1.119 6.695 64 HG22 VAL 11 2HG2 VAL 11 -17.094 2.649 7.116 65 HG23 VAL 11 3HG2 VAL 11 -18.376 1.996 8.137 66 H LYS 12 H LYS 12 -19.738 1.116 4.014 67 HA LYS 12 HA LYS 12 -20.096 -1.668 4.737 68 HB2 LYS 12 1HB LYS 12 -19.625 -0.159 2.209 69 HB3 LYS 12 2HB LYS 12 -19.163 -1.856 2.254 70 HG2 LYS 12 1HG LYS 12 -21.398 -2.528 2.743 71 HG3 LYS 12 2HG LYS 12 -21.907 -0.853 2.974 72 HD2 LYS 12 1HD LYS 12 -22.660 -1.359 0.828 73 HD3 LYS 12 2HD LYS 12 -21.139 -0.511 0.538 74 HE2 LYS 12 1HE LYS 12 -21.249 -2.452 -0.884 75 HE3 LYS 12 2HE LYS 12 -20.005 -2.700 0.340 76 HZ1 LYS 12 1HZ LYS 12 -21.022 -4.602 0.794 77 HZ2 LYS 12 2HZ LYS 12 -22.360 -4.217 -0.166 78 HZ3 LYS 12 3HZ LYS 12 -22.302 -3.708 1.446 79 H GLU 13 H GLU 13 -18.531 -3.048 5.294 80 HA GLU 13 HA GLU 13 -15.843 -2.068 5.619 81 HB2 GLU 13 1HB GLU 13 -17.010 -4.806 6.149 82 HB3 GLU 13 2HB GLU 13 -15.407 -4.272 6.635 83 HG2 GLU 13 1HG GLU 13 -16.352 -2.626 8.114 84 HG3 GLU 13 2HG GLU 13 -17.979 -3.015 7.559 85 H LEU 14 H LEU 14 -14.639 -1.907 3.829 86 HA LEU 14 HA LEU 14 -14.843 -3.886 1.715 87 HB2 LEU 14 1HB LEU 14 -12.971 -1.535 1.890 88 HB3 LEU 14 2HB LEU 14 -13.405 -2.453 0.449 89 HG LEU 14 HG LEU 14 -15.398 -0.814 2.001 90 HD11 LEU 14 1HD1 LEU 14 -13.215 0.169 0.534 91 HD12 LEU 14 2HD1 LEU 14 -14.612 1.065 1.128 92 HD13 LEU 14 3HD1 LEU 14 -14.635 0.368 -0.492 93 HD21 LEU 14 1HD2 LEU 14 -16.760 -1.980 0.659 94 HD22 LEU 14 2HD2 LEU 14 -15.443 -2.497 -0.394 95 HD23 LEU 14 3HD2 LEU 14 -16.174 -0.906 -0.611 96 H THR 15 H THR 15 -13.097 -5.138 0.955 97 HA THR 15 HA THR 15 -11.186 -5.843 3.058 98 HB THR 15 HB THR 15 -11.884 -7.318 0.511 99 HG1 THR 15 1HG THR 15 -12.920 -7.322 3.089 100 HG21 THR 15 1HG2 THR 15 -10.751 -9.203 1.945 101 HG22 THR 15 2HG2 THR 15 -9.940 -7.840 2.717 102 HG23 THR 15 3HG2 THR 15 -9.768 -8.102 0.982 103 H VAL 16 H VAL 16 -9.486 -4.463 2.912 104 HA VAL 16 HA VAL 16 -8.281 -3.948 0.299 105 HB VAL 16 HB VAL 16 -7.578 -2.780 2.996 106 HG11 VAL 16 1HG1 VAL 16 -6.304 -2.662 0.393 107 HG12 VAL 16 2HG1 VAL 16 -6.726 -1.061 1.002 108 HG13 VAL 16 3HG1 VAL 16 -5.710 -2.133 1.966 109 HG21 VAL 16 1HG2 VAL 16 -9.862 -2.220 2.138 110 HG22 VAL 16 2HG2 VAL 16 -8.798 -0.831 2.351 111 HG23 VAL 16 3HG2 VAL 16 -9.089 -1.479 0.737 112 H SER 17 H SER 17 -6.644 -5.135 -0.403 113 HA SER 17 HA SER 17 -4.746 -6.250 1.538 114 HB2 SER 17 1HB SER 17 -6.409 -8.006 0.883 115 HB3 SER 17 2HB SER 17 -5.866 -7.832 -0.786 116 HG SER 17 HG SER 17 -4.471 -8.843 1.441 117 H ALA 18 H ALA 18 -2.746 -5.683 1.031 118 HA ALA 18 HA ALA 18 -2.105 -4.360 -1.397 119 HB1 ALA 18 1HB ALA 18 -0.994 -3.918 0.775 120 HB2 ALA 18 2HB ALA 18 -0.195 -5.486 0.646 121 HB3 ALA 18 3HB ALA 18 0.138 -4.226 -0.542 122 H GLY 19 H GLY 19 -1.445 -7.614 -0.154 123 HA2 GLY 19 1HA GLY 19 -1.621 -9.148 -2.297 124 HA3 GLY 19 2HA GLY 19 -0.107 -8.331 -2.652 125 H ASP 20 H ASP 20 1.581 -8.471 -0.919 126 HA ASP 20 HA ASP 20 1.475 -10.454 1.081 127 HB2 ASP 20 1HB ASP 20 1.473 -11.803 -1.136 128 HB3 ASP 20 2HB ASP 20 3.170 -11.342 -1.237 129 H ASN 21 H ASN 21 3.875 -11.122 1.677 130 HA ASN 21 HA ASN 21 5.241 -8.663 2.177 131 HB2 ASN 21 1HB ASN 21 6.879 -10.069 3.366 132 HB3 ASN 21 2HB ASN 21 5.228 -10.457 3.840 133 HD21 ASN 21 1HD2 ASN 21 4.617 -12.503 3.763 134 HD22 ASN 21 2HD2 ASN 21 5.469 -13.779 2.968 135 H LEU 22 H LEU 22 6.819 -7.731 1.048 136 HA LEU 22 HA LEU 22 8.087 -9.288 -1.107 137 HB2 LEU 22 1HB LEU 22 7.895 -6.293 -1.004 138 HB3 LEU 22 2HB LEU 22 8.278 -7.316 -2.387 139 HG LEU 22 HG LEU 22 6.130 -6.644 -2.870 140 HD11 LEU 22 1HD1 LEU 22 5.316 -8.990 -1.221 141 HD12 LEU 22 2HD1 LEU 22 6.461 -9.215 -2.543 142 HD13 LEU 22 3HD1 LEU 22 4.858 -8.556 -2.868 143 HD21 LEU 22 1HD2 LEU 22 5.396 -6.982 0.036 144 HD22 LEU 22 2HD2 LEU 22 4.340 -6.389 -1.246 145 HD23 LEU 22 3HD2 LEU 22 5.753 -5.450 -0.762 146 H ILE 23 H ILE 23 10.282 -9.299 -1.306 147 HA ILE 23 HA ILE 23 11.829 -7.725 0.640 148 HB ILE 23 HB ILE 23 12.287 -10.632 -0.039 149 HG12 ILE 23 1HG1 ILE 23 11.649 -9.410 2.647 150 HG13 ILE 23 2HG1 ILE 23 10.408 -10.045 1.571 151 HG21 ILE 23 1HG2 ILE 23 13.816 -8.995 1.962 152 HG22 ILE 23 2HG2 ILE 23 14.209 -10.587 1.315 153 HG23 ILE 23 3HG2 ILE 23 14.335 -9.161 0.285 154 HD11 ILE 23 1HD1 ILE 23 11.656 -12.231 1.626 155 HD12 ILE 23 2HD1 ILE 23 12.621 -11.544 2.933 156 HD13 ILE 23 3HD1 ILE 23 10.880 -11.741 3.132 157 H ILE 24 H ILE 24 13.278 -6.493 -0.341 158 HA ILE 24 HA ILE 24 14.252 -7.303 -3.000 159 HB ILE 24 HB ILE 24 14.974 -4.748 -2.954 160 HG12 ILE 24 1HG1 ILE 24 12.433 -4.674 -1.330 161 HG13 ILE 24 2HG1 ILE 24 14.026 -4.566 -0.587 162 HG21 ILE 24 1HG2 ILE 24 12.552 -6.163 -3.820 163 HG22 ILE 24 2HG2 ILE 24 12.402 -4.408 -3.741 164 HG23 ILE 24 3HG2 ILE 24 13.660 -5.141 -4.735 165 HD11 ILE 24 1HD1 ILE 24 12.884 -2.384 -0.994 166 HD12 ILE 24 2HD1 ILE 24 14.493 -2.526 -1.703 167 HD13 ILE 24 3HD1 ILE 24 13.063 -2.685 -2.723 168 H THR 25 H THR 25 16.472 -6.844 -3.532 169 HA THR 25 HA THR 25 18.243 -6.709 -1.180 170 HB THR 25 HB THR 25 18.647 -8.427 -3.636 171 HG1 THR 25 1HG THR 25 18.534 -10.095 -1.899 172 HG21 THR 25 1HG2 THR 25 20.402 -7.683 -1.347 173 HG22 THR 25 2HG2 THR 25 20.813 -7.960 -3.040 174 HG23 THR 25 3HG2 THR 25 20.495 -9.328 -1.974 175 H LEU 26 H LEU 26 19.715 -5.143 -1.254 176 HA LEU 26 HA LEU 26 19.844 -3.179 -3.168 177 HB2 LEU 26 1HB LEU 26 21.874 -4.152 -1.186 178 HB3 LEU 26 2HB LEU 26 22.210 -2.790 -2.252 179 HG LEU 26 HG LEU 26 21.360 -2.365 0.165 180 HD11 LEU 26 1HD1 LEU 26 20.188 -0.340 -0.603 181 HD12 LEU 26 2HD1 LEU 26 20.171 -0.993 -2.241 182 HD13 LEU 26 3HD1 LEU 26 21.705 -0.611 -1.461 183 HD21 LEU 26 1HD2 LEU 26 18.840 -2.111 0.141 184 HD22 LEU 26 2HD2 LEU 26 19.459 -3.758 0.260 185 HD23 LEU 26 3HD2 LEU 26 18.844 -3.156 -1.280 186 HA PRO 27 HA PRO 27 21.647 -1.726 -3.829 187 HB2 PRO 27 1HB PRO 27 21.628 -0.671 -6.330 188 HB3 PRO 27 2HB PRO 27 23.116 -1.117 -5.488 189 HG2 PRO 27 1HG PRO 27 21.593 -2.632 -7.573 190 HG3 PRO 27 2HG PRO 27 23.344 -2.395 -7.417 191 HD2 PRO 27 1HD PRO 27 22.106 -4.674 -6.639 192 HD3 PRO 27 2HD PRO 27 23.551 -4.045 -5.821 193 H ASP 28 H ASP 28 19.707 -3.653 -5.965 194 HA ASP 28 HA ASP 28 17.662 -2.002 -6.719 195 HB2 ASP 28 1HB ASP 28 17.814 -4.890 -6.012 196 HB3 ASP 28 2HB ASP 28 16.212 -4.177 -6.179 197 H ASN 29 H ASN 29 17.001 -0.420 -5.346 198 HA ASN 29 HA ASN 29 15.825 -1.284 -2.785 199 HB2 ASN 29 1HB ASN 29 16.325 0.897 -1.879 200 HB3 ASN 29 2HB ASN 29 17.798 0.236 -2.584 201 HD21 ASN 29 1HD2 ASN 29 18.798 2.148 -2.984 202 HD22 ASN 29 2HD2 ASN 29 18.228 3.307 -4.131 203 H GLU 30 H GLU 30 14.636 -1.110 -5.532 204 HA GLU 30 HA GLU 30 12.485 0.812 -4.929 205 HB2 GLU 30 1HB GLU 30 13.201 -0.237 -7.666 206 HB3 GLU 30 2HB GLU 30 12.109 1.085 -7.276 207 HG2 GLU 30 1HG GLU 30 14.039 2.354 -6.386 208 HG3 GLU 30 2HG GLU 30 15.097 1.053 -6.928 209 H VAL 31 H VAL 31 10.467 0.058 -4.718 210 HA VAL 31 HA VAL 31 9.796 -2.589 -5.770 211 HB VAL 31 HB VAL 31 10.381 -3.199 -3.569 212 HG11 VAL 31 1HG1 VAL 31 9.345 -1.972 -1.591 213 HG12 VAL 31 2HG1 VAL 31 10.641 -1.145 -2.457 214 HG13 VAL 31 3HG1 VAL 31 8.960 -0.687 -2.735 215 HG21 VAL 31 1HG2 VAL 31 7.493 -2.771 -3.047 216 HG22 VAL 31 2HG2 VAL 31 7.933 -3.675 -4.496 217 HG23 VAL 31 3HG2 VAL 31 8.465 -4.237 -2.911 218 H GLU 32 H GLU 32 7.758 -2.736 -6.531 219 HA GLU 32 HA GLU 32 6.040 -0.375 -6.194 220 HB2 GLU 32 1HB GLU 32 6.541 -0.720 -8.492 221 HB3 GLU 32 2HB GLU 32 6.226 -2.445 -8.376 222 HG2 GLU 32 1HG GLU 32 3.936 -2.165 -8.373 223 HG3 GLU 32 2HG GLU 32 4.038 -0.493 -7.825 224 H LEU 33 H LEU 33 4.322 -0.563 -4.932 225 HA LEU 33 HA LEU 33 3.252 -3.252 -4.397 226 HB2 LEU 33 1HB LEU 33 2.784 -0.804 -2.720 227 HB3 LEU 33 2HB LEU 33 2.530 -2.492 -2.281 228 HG LEU 33 HG LEU 33 5.291 -1.510 -2.881 229 HD11 LEU 33 1HD1 LEU 33 5.448 -0.245 -1.065 230 HD12 LEU 33 2HD1 LEU 33 4.698 -1.486 -0.062 231 HD13 LEU 33 3HD1 LEU 33 3.692 -0.326 -0.929 232 HD21 LEU 33 1HD2 LEU 33 5.626 -3.233 -0.943 233 HD22 LEU 33 2HD2 LEU 33 5.331 -3.791 -2.590 234 HD23 LEU 33 3HD2 LEU 33 4.015 -3.775 -1.415 235 H LYS 34 H LYS 34 0.987 -3.552 -4.301 236 HA LYS 34 HA LYS 34 -0.613 -1.427 -5.559 237 HB2 LYS 34 1HB LYS 34 -0.017 -3.199 -7.204 238 HB3 LYS 34 2HB LYS 34 -0.828 -4.378 -6.181 239 HG2 LYS 34 1HG LYS 34 -2.944 -3.219 -6.493 240 HG3 LYS 34 2HG LYS 34 -2.140 -2.001 -7.486 241 HD2 LYS 34 1HD LYS 34 -1.423 -3.911 -8.995 242 HD3 LYS 34 2HD LYS 34 -2.558 -4.920 -8.094 243 HE2 LYS 34 1HE LYS 34 -4.401 -3.532 -8.747 244 HE3 LYS 34 2HE LYS 34 -3.315 -2.350 -9.476 245 HZ1 LYS 34 1HZ LYS 34 -4.281 -3.701 -11.183 246 HZ2 LYS 34 2HZ LYS 34 -3.792 -5.126 -10.413 247 HZ3 LYS 34 3HZ LYS 34 -2.636 -4.080 -11.070 248 H ALA 35 H ALA 35 -2.777 -1.302 -4.935 249 HA ALA 35 HA ALA 35 -3.434 -2.834 -2.506 250 HB1 ALA 35 1HB ALA 35 -4.194 -0.966 -1.538 251 HB2 ALA 35 2HB ALA 35 -3.290 -0.119 -2.795 252 HB3 ALA 35 3HB ALA 35 -5.014 -0.427 -3.004 253 H PHE 36 H PHE 36 -4.851 -4.403 -2.861 254 HA PHE 36 HA PHE 36 -6.767 -4.152 -5.057 255 HB2 PHE 36 1HB PHE 36 -5.730 -6.466 -3.446 256 HB3 PHE 36 2HB PHE 36 -7.222 -6.619 -4.370 257 HD1 PHE 36 1HD PHE 36 -7.110 -6.046 -6.870 258 HD2 PHE 36 2HD PHE 36 -3.681 -6.814 -4.467 259 HE1 PHE 36 1HE PHE 36 -5.805 -6.542 -8.896 260 HE2 PHE 36 2HE PHE 36 -2.371 -7.310 -6.490 261 HZ PHE 36 HZ PHE 36 -3.432 -7.174 -8.708 262 H VAL 37 H VAL 37 -8.687 -3.325 -4.595 263 HA VAL 37 HA VAL 37 -9.808 -3.744 -1.906 264 HB VAL 37 HB VAL 37 -10.517 -1.635 -3.951 265 HG11 VAL 37 1HG1 VAL 37 -11.757 -0.639 -1.987 266 HG12 VAL 37 2HG1 VAL 37 -12.467 -2.094 -2.689 267 HG13 VAL 37 3HG1 VAL 37 -11.555 -2.195 -1.183 268 HG21 VAL 37 1HG2 VAL 37 -9.265 -1.096 -1.290 269 HG22 VAL 37 2HG2 VAL 37 -8.259 -1.560 -2.662 270 HG23 VAL 37 3HG2 VAL 37 -9.258 -0.109 -2.752 271 H ALA 38 H ALA 38 -11.639 -4.868 -1.649 272 HA ALA 38 HA ALA 38 -13.323 -5.401 -3.994 273 HB1 ALA 38 1HB ALA 38 -12.595 -7.568 -2.040 274 HB2 ALA 38 2HB ALA 38 -13.423 -7.727 -3.590 275 HB3 ALA 38 3HB ALA 38 -11.713 -7.298 -3.544 276 HA PRO 39 HA PRO 39 -15.187 -6.347 -4.492 277 HB2 PRO 39 1HB PRO 39 -17.430 -4.955 -5.124 278 HB3 PRO 39 2HB PRO 39 -17.470 -6.514 -4.292 279 HG2 PRO 39 1HG PRO 39 -17.703 -3.754 -3.156 280 HG3 PRO 39 2HG PRO 39 -18.638 -5.208 -2.763 281 HD2 PRO 39 1HD PRO 39 -16.598 -4.326 -1.217 282 HD3 PRO 39 2HD PRO 39 -16.990 -6.049 -1.389 283 H ALA 40 H ALA 40 -15.249 -5.154 -6.569 284 HA ALA 40 HA ALA 40 -13.634 -2.761 -6.381 285 HB1 ALA 40 1HB ALA 40 -13.448 -4.783 -8.057 286 HB2 ALA 40 2HB ALA 40 -14.587 -3.816 -8.995 287 HB3 ALA 40 3HB ALA 40 -13.018 -3.144 -8.550 288 HA PRO 41 HA PRO 41 -16.960 0.101 -6.849 289 HB2 PRO 41 1HB PRO 41 -15.514 2.245 -7.676 290 HB3 PRO 41 2HB PRO 41 -15.514 1.674 -6.003 291 HG2 PRO 41 1HG PRO 41 -13.508 1.187 -8.171 292 HG3 PRO 41 2HG PRO 41 -13.237 1.580 -6.463 293 HD2 PRO 41 1HD PRO 41 -13.038 -0.943 -7.426 294 HD3 PRO 41 2HD PRO 41 -13.592 -0.591 -5.776 295 HA PRO 42 HA PRO 42 -18.153 0.123 -11.086 296 HB2 PRO 42 1HB PRO 42 -19.745 2.322 -11.147 297 HB3 PRO 42 2HB PRO 42 -20.224 0.810 -10.367 298 HG2 PRO 42 1HG PRO 42 -19.115 3.306 -9.141 299 HG3 PRO 42 2HG PRO 42 -20.446 2.278 -8.577 300 HD2 PRO 42 1HD PRO 42 -17.955 2.143 -7.525 301 HD3 PRO 42 2HD PRO 42 -19.020 0.727 -7.643 302 H VAL 43 H VAL 43 -18.712 2.224 -12.733 303 HA VAL 43 HA VAL 43 -16.055 3.233 -13.308 304 HB VAL 43 HB VAL 43 -17.011 2.545 -15.282 305 HG11 VAL 43 1HG1 VAL 43 -19.489 3.398 -15.765 306 HG12 VAL 43 2HG1 VAL 43 -19.155 1.897 -14.900 307 HG13 VAL 43 3HG1 VAL 43 -19.555 3.363 -14.004 308 HG21 VAL 43 1HG2 VAL 43 -17.386 4.447 -16.630 309 HG22 VAL 43 2HG2 VAL 43 -18.027 5.376 -15.276 310 HG23 VAL 43 3HG2 VAL 43 -16.310 4.980 -15.339 311 H GLU 44 H GLU 44 -19.151 4.438 -12.210 312 HA GLU 44 HA GLU 44 -18.322 7.210 -12.447 313 HB2 GLU 44 1HB GLU 44 -20.619 7.386 -11.080 314 HB3 GLU 44 2HB GLU 44 -20.562 7.206 -12.828 315 HG2 GLU 44 1HG GLU 44 -20.968 4.850 -12.658 316 HG3 GLU 44 2HG GLU 44 -20.845 4.914 -10.901 317 H THR 45 H THR 45 -17.187 5.047 -10.528 318 HA THR 45 HA THR 45 -16.807 6.876 -8.317 319 HB THR 45 HB THR 45 -17.929 4.125 -7.761 320 HG1 THR 45 1HG THR 45 -19.708 5.556 -6.909 321 HG21 THR 45 1HG2 THR 45 -17.949 4.769 -5.466 322 HG22 THR 45 2HG2 THR 45 -17.514 6.431 -5.864 323 HG23 THR 45 3HG2 THR 45 -16.339 5.135 -6.086 324 H THR 46 H THR 46 -14.798 6.712 -7.529 325 HA THR 46 HA THR 46 -13.319 4.205 -7.898 326 HB THR 46 HB THR 46 -11.290 5.803 -8.406 327 HG1 THR 46 1HG THR 46 -13.312 7.283 -9.709 328 HG21 THR 46 1HG2 THR 46 -11.399 5.086 -10.572 329 HG22 THR 46 2HG2 THR 46 -13.099 5.524 -10.747 330 HG23 THR 46 3HG2 THR 46 -12.651 4.055 -9.881 331 H TYR 47 H TYR 47 -12.809 3.599 -5.899 332 HA TYR 47 HA TYR 47 -12.750 5.178 -3.627 333 HB2 TYR 47 1HB TYR 47 -11.193 2.641 -4.165 334 HB3 TYR 47 2HB TYR 47 -11.476 3.339 -2.575 335 HD1 TYR 47 2HD TYR 47 -14.358 4.169 -2.999 336 HD2 TYR 47 1HD TYR 47 -12.289 0.563 -3.904 337 HE1 TYR 47 2HE TYR 47 -16.469 2.920 -2.823 338 HE2 TYR 47 1HE TYR 47 -14.394 -0.696 -3.731 339 HH TYR 47 HH TYR 47 -16.639 -0.520 -3.596 340 H ASN 48 H ASN 48 -11.021 5.973 -2.331 341 HA ASN 48 HA ASN 48 -8.782 6.955 -3.940 342 HB2 ASN 48 1HB ASN 48 -9.857 7.825 -1.249 343 HB3 ASN 48 2HB ASN 48 -8.433 8.524 -2.015 344 HD21 ASN 48 1HD2 ASN 48 -8.670 9.888 -3.749 345 HD22 ASN 48 2HD2 ASN 48 -10.199 10.525 -4.239 346 H TYR 49 H TYR 49 -6.735 6.330 -3.620 347 HA TYR 49 HA TYR 49 -6.229 4.392 -1.475 348 HB2 TYR 49 1HB TYR 49 -4.540 4.970 -3.915 349 HB3 TYR 49 2HB TYR 49 -4.346 3.629 -2.791 350 HD1 TYR 49 1HD TYR 49 -6.041 1.807 -2.744 351 HD2 TYR 49 2HD TYR 49 -6.113 4.868 -5.699 352 HE1 TYR 49 1HE TYR 49 -7.522 0.421 -4.135 353 HE2 TYR 49 2HE TYR 49 -7.596 3.491 -7.097 354 HH TYR 49 HH TYR 49 -7.947 0.543 -7.056 355 H GLU 50 H GLU 50 -5.481 5.342 0.310 356 HA GLU 50 HA GLU 50 -3.429 7.436 0.019 357 HB2 GLU 50 1HB GLU 50 -5.297 8.402 1.108 358 HB3 GLU 50 2HB GLU 50 -5.526 6.993 2.133 359 HG2 GLU 50 1HG GLU 50 -3.463 7.506 3.320 360 HG3 GLU 50 2HG GLU 50 -3.207 8.906 2.280 361 H TRP 51 H TRP 51 -1.498 6.489 0.224 362 HA TRP 51 HA TRP 51 -1.122 4.275 2.069 363 HB2 TRP 51 1HB TRP 51 0.703 5.604 0.063 364 HB3 TRP 51 2HB TRP 51 1.231 4.313 1.138 365 HD1 TRP 51 HD TRP 51 -0.964 4.948 -1.927 366 HE1 TRP 51 1HE TRP 51 -1.515 2.689 -3.029 367 HE3 TRP 51 3HE TRP 51 0.956 1.821 1.632 368 HZ2 TRP 51 2HZ TRP 51 -1.180 -0.057 -2.464 369 HZ3 TRP 51 3HZ TRP 51 0.799 -0.609 1.275 370 HH2 TRP 51 HH TRP 51 -0.247 -1.526 -0.730 371 H ASN 52 H ASN 52 0.526 4.269 3.697 372 HA ASN 52 HA ASN 52 1.773 6.735 4.491 373 HB2 ASN 52 1HB ASN 52 -0.658 5.708 5.888 374 HB3 ASN 52 2HB ASN 52 0.629 6.414 6.862 375 HD21 ASN 52 1HD2 ASN 52 -2.092 7.025 5.013 376 HD22 ASN 52 2HD2 ASN 52 -1.934 8.740 4.878 377 H LEU 53 H LEU 53 3.544 6.385 5.740 378 HA LEU 53 HA LEU 53 4.182 3.593 6.332 379 HB2 LEU 53 1HB LEU 53 5.733 5.042 4.998 380 HB3 LEU 53 2HB LEU 53 5.996 5.995 6.457 381 HG LEU 53 HG LEU 53 6.922 3.980 7.557 382 HD11 LEU 53 1HD1 LEU 53 6.689 2.750 4.815 383 HD12 LEU 53 2HD1 LEU 53 5.746 2.294 6.233 384 HD13 LEU 53 3HD1 LEU 53 7.490 2.033 6.213 385 HD21 LEU 53 1HD2 LEU 53 8.852 4.856 6.904 386 HD22 LEU 53 2HD2 LEU 53 8.084 5.552 5.477 387 HD23 LEU 53 3HD2 LEU 53 8.754 3.921 5.412 388 H ILE 54 H ILE 54 3.642 2.918 8.297 389 HA ILE 54 HA ILE 54 3.782 4.797 10.547 390 HB ILE 54 HB ILE 54 2.494 3.040 11.786 391 HG12 ILE 54 1HG1 ILE 54 3.273 1.315 9.900 392 HG13 ILE 54 2HG1 ILE 54 1.788 1.091 10.817 393 HG21 ILE 54 1HG2 ILE 54 1.239 4.128 9.270 394 HG22 ILE 54 2HG2 ILE 54 0.360 3.538 10.680 395 HG23 ILE 54 3HG2 ILE 54 1.383 4.969 10.813 396 HD11 ILE 54 1HD1 ILE 54 1.693 0.788 8.290 397 HD12 ILE 54 2HD1 ILE 54 0.452 1.792 9.041 398 HD13 ILE 54 3HD1 ILE 54 1.808 2.546 8.201 399 H SER 55 H SER 55 5.126 1.837 9.299 400 HA SER 55 HA SER 55 6.854 1.653 11.680 401 HB2 SER 55 1HB SER 55 5.183 -0.288 10.982 402 HB3 SER 55 2HB SER 55 6.491 -0.697 9.872 403 HG SER 55 HG SER 55 7.543 -1.487 11.497 404 H HIS 56 H HIS 56 8.929 2.076 11.353 405 HA HIS 56 HA HIS 56 10.413 1.164 9.130 406 HB2 HIS 56 1HB HIS 56 10.927 3.303 8.054 407 HB3 HIS 56 2HB HIS 56 9.204 2.953 7.957 408 HD1 HIS 56 1HD HIS 56 11.601 5.464 9.135 409 HD2 HIS 56 2HD HIS 56 7.601 4.536 9.772 410 HE1 HIS 56 1HE HIS 56 10.600 7.505 10.211 411 HE2 HIS 56 2HE HIS 56 8.200 6.889 10.665 412 HA PRO 57 HA PRO 57 13.624 1.873 12.047 413 HB2 PRO 57 1HB PRO 57 15.774 1.828 10.389 414 HB3 PRO 57 2HB PRO 57 14.868 0.374 10.828 415 HG2 PRO 57 1HG PRO 57 14.688 2.042 8.348 416 HG3 PRO 57 2HG PRO 57 14.695 0.276 8.511 417 HD2 PRO 57 1HD PRO 57 12.420 1.695 8.134 418 HD3 PRO 57 2HD PRO 57 12.463 0.194 9.080 419 H THR 58 H THR 58 14.487 3.621 12.994 420 HA THR 58 HA THR 58 14.078 6.203 12.187 421 HB THR 58 HB THR 58 15.000 5.258 14.444 422 HG1 THR 58 1HG THR 58 15.403 7.766 13.244 423 HG21 THR 58 1HG2 THR 58 17.395 5.689 14.758 424 HG22 THR 58 2HG2 THR 58 17.551 6.065 13.042 425 HG23 THR 58 3HG2 THR 58 17.120 4.433 13.553 426 H ASP 59 H ASP 59 16.650 4.047 11.239 427 HA ASP 59 HA ASP 59 18.458 5.932 10.201 428 HB2 ASP 59 1HB ASP 59 17.942 3.050 9.453 429 HB3 ASP 59 2HB ASP 59 19.273 4.000 8.799 430 H TYR 60 H TYR 60 15.594 4.425 8.841 431 HA TYR 60 HA TYR 60 15.815 4.881 6.171 432 HB2 TYR 60 1HB TYR 60 13.840 3.844 7.067 433 HB3 TYR 60 2HB TYR 60 13.403 5.309 7.939 434 HD1 TYR 60 1HD TYR 60 14.286 4.461 4.400 435 HD2 TYR 60 2HD TYR 60 11.580 6.394 7.054 436 HE1 TYR 60 1HE TYR 60 12.936 5.194 2.479 437 HE2 TYR 60 2HE TYR 60 10.221 7.131 5.141 438 HH TYR 60 HH TYR 60 10.112 7.287 2.912 439 H GLN 61 H GLN 61 15.448 6.575 4.745 440 HA GLN 61 HA GLN 61 15.207 9.260 5.913 441 HB2 GLN 61 1HB GLN 61 17.221 8.387 3.837 442 HB3 GLN 61 2HB GLN 61 16.897 10.063 4.257 443 HG2 GLN 61 1HG GLN 61 17.730 9.762 6.458 444 HG3 GLN 61 2HG GLN 61 17.807 8.013 6.255 445 HE21 GLN 61 1HE2 GLN 61 20.009 8.095 6.858 446 HE22 GLN 61 2HE2 GLN 61 21.220 8.603 5.735 447 H GLY 62 H GLY 62 14.792 7.127 3.163 448 HA2 GLY 62 1HA GLY 62 13.887 8.746 1.174 449 HA3 GLY 62 2HA GLY 62 13.179 7.173 1.512 450 H GLU 63 H GLU 63 11.737 9.329 0.437 451 HA GLU 63 HA GLU 63 9.857 9.848 2.642 452 HB2 GLU 63 1HB GLU 63 10.825 11.747 0.516 453 HB3 GLU 63 2HB GLU 63 9.311 12.007 1.371 454 HG2 GLU 63 1HG GLU 63 10.423 12.238 3.450 455 HG3 GLU 63 2HG GLU 63 11.947 11.673 2.771 456 H ILE 64 H ILE 64 7.801 9.298 2.253 457 HA ILE 64 HA ILE 64 7.129 8.377 -0.453 458 HB ILE 64 HB ILE 64 5.544 7.812 2.043 459 HG12 ILE 64 1HG1 ILE 64 7.696 6.053 0.855 460 HG13 ILE 64 2HG1 ILE 64 7.930 7.064 2.277 461 HG21 ILE 64 1HG2 ILE 64 5.748 6.327 -0.572 462 HG22 ILE 64 2HG2 ILE 64 4.662 5.961 0.768 463 HG23 ILE 64 3HG2 ILE 64 4.461 7.455 -0.147 464 HD11 ILE 64 1HD1 ILE 64 5.817 5.751 3.132 465 HD12 ILE 64 2HD1 ILE 64 6.380 4.557 1.962 466 HD13 ILE 64 3HD1 ILE 64 7.442 5.080 3.269 467 H LYS 65 H LYS 65 5.126 8.920 -1.402 468 HA LYS 65 HA LYS 65 4.032 11.469 -0.430 469 HB2 LYS 65 1HB LYS 65 3.823 10.250 -3.189 470 HB3 LYS 65 2HB LYS 65 3.274 11.852 -2.715 471 HG2 LYS 65 1HG LYS 65 6.128 11.193 -2.263 472 HG3 LYS 65 2HG LYS 65 5.593 11.447 -3.926 473 HD2 LYS 65 1HD LYS 65 6.094 13.602 -3.400 474 HD3 LYS 65 2HD LYS 65 4.434 13.567 -2.800 475 HE2 LYS 65 1HE LYS 65 5.350 12.956 -0.554 476 HE3 LYS 65 2HE LYS 65 6.967 13.226 -1.201 477 HZ1 LYS 65 1HZ LYS 65 4.962 15.139 -0.398 478 HZ2 LYS 65 2HZ LYS 65 5.700 15.498 -1.876 479 HZ3 LYS 65 3HZ LYS 65 6.643 15.305 -0.485 480 H GLN 66 H GLN 66 3.266 8.836 0.597 481 HA GLN 66 HA GLN 66 1.409 7.635 1.139 482 HB2 GLN 66 1HB GLN 66 0.087 10.256 0.421 483 HB3 GLN 66 2HB GLN 66 -0.715 8.931 1.255 484 HG2 GLN 66 1HG GLN 66 0.380 9.309 3.212 485 HG3 GLN 66 2HG GLN 66 1.806 9.971 2.415 486 HE21 GLN 66 1HE2 GLN 66 -0.161 10.876 4.592 487 HE22 GLN 66 2HE2 GLN 66 -0.519 12.507 4.149 488 H GLY 67 H GLY 67 2.341 7.683 -1.699 489 HA2 GLY 67 1HA GLY 67 1.547 7.188 -3.839 490 HA3 GLY 67 2HA GLY 67 0.847 5.860 -2.925 491 H HIS 68 H HIS 68 0.241 9.054 -4.261 492 HA HIS 68 HA HIS 68 -2.461 9.285 -3.528 493 HB2 HIS 68 1HB HIS 68 -0.722 10.525 -5.612 494 HB3 HIS 68 2HB HIS 68 -2.466 10.728 -5.755 495 HD1 HIS 68 1HD HIS 68 -0.939 10.649 -2.357 496 HD2 HIS 68 2HD HIS 68 -2.234 13.462 -5.126 497 HE1 HIS 68 1HE HIS 68 -1.020 12.831 -1.111 498 HE2 HIS 68 2HE HIS 68 -1.887 14.502 -2.784 499 H LYS 69 H LYS 69 -0.992 7.089 -5.580 500 HA LYS 69 HA LYS 69 -3.482 6.640 -7.087 501 HB2 LYS 69 1HB LYS 69 -0.757 5.536 -7.763 502 HB3 LYS 69 2HB LYS 69 -2.189 5.561 -8.784 503 HG2 LYS 69 1HG LYS 69 -1.961 8.164 -8.460 504 HG3 LYS 69 2HG LYS 69 -0.278 7.741 -8.137 505 HD2 LYS 69 1HD LYS 69 -1.664 6.638 -10.548 506 HD3 LYS 69 2HD LYS 69 -1.031 8.286 -10.570 507 HE2 LYS 69 1HE LYS 69 0.739 6.095 -9.609 508 HE3 LYS 69 2HE LYS 69 0.434 6.227 -11.340 509 HZ1 LYS 69 1HZ LYS 69 2.421 7.476 -10.329 510 HZ2 LYS 69 2HZ LYS 69 1.269 8.591 -9.791 511 HZ3 LYS 69 3HZ LYS 69 1.443 8.287 -11.446 512 H GLN 70 H GLN 70 -3.540 4.164 -7.786 513 HA GLN 70 HA GLN 70 -4.027 2.714 -5.396 514 HB2 GLN 70 1HB GLN 70 -5.401 2.267 -7.302 515 HB3 GLN 70 2HB GLN 70 -4.001 1.890 -8.298 516 HG2 GLN 70 1HG GLN 70 -3.573 -0.032 -6.691 517 HG3 GLN 70 2HG GLN 70 -5.199 0.270 -6.078 518 HE21 GLN 70 1HE2 GLN 70 -5.625 -1.913 -6.787 519 HE22 GLN 70 2HE2 GLN 70 -6.027 -2.208 -8.441 520 H THR 71 H THR 71 -1.287 3.046 -7.453 521 HA THR 71 HA THR 71 0.044 0.805 -6.077 522 HB THR 71 HB THR 71 1.739 1.186 -8.071 523 HG1 THR 71 1HG THR 71 0.295 2.988 -8.816 524 HG21 THR 71 1HG2 THR 71 -0.473 -0.204 -9.256 525 HG22 THR 71 2HG2 THR 71 -0.371 -0.603 -7.541 526 HG23 THR 71 3HG2 THR 71 1.023 -0.858 -8.591 527 H LEU 72 H LEU 72 1.853 1.182 -4.918 528 HA LEU 72 HA LEU 72 2.865 3.948 -4.872 529 HB2 LEU 72 1HB LEU 72 1.771 3.302 -2.798 530 HB3 LEU 72 2HB LEU 72 2.817 1.889 -2.671 531 HG LEU 72 HG LEU 72 4.761 3.466 -2.472 532 HD11 LEU 72 1HD1 LEU 72 3.341 5.380 -3.470 533 HD12 LEU 72 2HD1 LEU 72 4.478 5.744 -2.172 534 HD13 LEU 72 3HD1 LEU 72 2.757 5.588 -1.819 535 HD21 LEU 72 1HD2 LEU 72 3.057 4.214 -0.211 536 HD22 LEU 72 2HD2 LEU 72 4.582 3.328 -0.242 537 HD23 LEU 72 3HD2 LEU 72 3.067 2.488 -0.575 538 H ASN 73 H ASN 73 4.882 4.241 -5.540 539 HA ASN 73 HA ASN 73 6.656 1.900 -5.702 540 HB2 ASN 73 1HB ASN 73 6.260 4.297 -7.411 541 HB3 ASN 73 2HB ASN 73 7.909 3.700 -7.256 542 HD21 ASN 73 1HD2 ASN 73 4.679 2.264 -7.605 543 HD22 ASN 73 2HD2 ASN 73 5.110 1.194 -8.891 544 H LEU 74 H LEU 74 8.541 1.864 -4.623 545 HA LEU 74 HA LEU 74 9.240 4.251 -3.052 546 HB2 LEU 74 1HB LEU 74 9.401 1.333 -2.539 547 HB3 LEU 74 2HB LEU 74 10.661 2.352 -1.846 548 HG LEU 74 HG LEU 74 9.000 2.020 -0.177 549 HD11 LEU 74 1HD1 LEU 74 9.947 4.355 -0.593 550 HD12 LEU 74 2HD1 LEU 74 8.505 4.227 0.413 551 HD13 LEU 74 3HD1 LEU 74 8.364 4.741 -1.268 552 HD21 LEU 74 1HD2 LEU 74 6.979 2.983 -2.200 553 HD22 LEU 74 2HD2 LEU 74 6.648 2.583 -0.514 554 HD23 LEU 74 3HD2 LEU 74 7.168 1.323 -1.634 555 H SER 75 H SER 75 11.451 4.827 -2.818 556 HA SER 75 HA SER 75 13.369 3.572 -4.620 557 HB2 SER 75 1HB SER 75 13.857 5.486 -5.881 558 HB3 SER 75 2HB SER 75 12.097 5.519 -5.775 559 HG SER 75 HG SER 75 12.237 7.330 -4.733 560 H GLN 76 H GLN 76 15.586 4.376 -4.270 561 HA GLN 76 HA GLN 76 17.331 4.612 -2.817 562 HB2 GLN 76 1HB GLN 76 15.576 6.966 -2.153 563 HB3 GLN 76 2HB GLN 76 17.144 6.735 -1.391 564 HG2 GLN 76 1HG GLN 76 18.071 6.594 -3.769 565 HG3 GLN 76 2HG GLN 76 16.521 7.270 -4.270 566 HE21 GLN 76 1HE2 GLN 76 19.460 7.844 -2.487 567 HE22 GLN 76 2HE2 GLN 76 19.310 9.563 -2.404 568 H LEU 77 H LEU 77 15.300 2.789 -1.955 569 HA LEU 77 HA LEU 77 14.746 3.182 0.817 570 HB2 LEU 77 1HB LEU 77 14.490 0.902 -1.095 571 HB3 LEU 77 2HB LEU 77 14.309 0.616 0.634 572 HG LEU 77 HG LEU 77 12.640 2.574 -0.941 573 HD11 LEU 77 1HD1 LEU 77 10.859 0.780 -0.531 574 HD12 LEU 77 2HD1 LEU 77 12.214 -0.318 -0.273 575 HD13 LEU 77 3HD1 LEU 77 12.028 0.503 -1.823 576 HD21 LEU 77 1HD2 LEU 77 11.883 3.243 1.032 577 HD22 LEU 77 2HD2 LEU 77 13.039 2.179 1.834 578 HD23 LEU 77 3HD2 LEU 77 11.425 1.588 1.436 579 H SER 78 H SER 78 15.949 2.715 2.545 580 HA SER 78 HA SER 78 18.587 1.540 2.110 581 HB2 SER 78 1HB SER 78 17.469 2.836 4.607 582 HB3 SER 78 2HB SER 78 19.155 2.418 4.304 583 HG SER 78 HG SER 78 19.249 3.988 2.735 584 H VAL 79 H VAL 79 19.403 -0.154 3.424 585 HA VAL 79 HA VAL 79 17.887 -2.402 3.673 586 HB VAL 79 HB VAL 79 20.195 -1.626 5.463 587 HG11 VAL 79 1HG1 VAL 79 20.357 -3.807 6.180 588 HG12 VAL 79 2HG1 VAL 79 18.606 -3.610 6.082 589 HG13 VAL 79 3HG1 VAL 79 19.475 -4.443 4.792 590 HG21 VAL 79 1HG2 VAL 79 21.238 -3.359 3.707 591 HG22 VAL 79 2HG2 VAL 79 19.996 -2.630 2.689 592 HG23 VAL 79 3HG2 VAL 79 21.224 -1.615 3.444 593 H GLY 80 H GLY 80 16.217 -2.993 4.885 594 HA2 GLY 80 1HA GLY 80 15.848 -3.033 7.529 595 HA3 GLY 80 2HA GLY 80 15.456 -1.359 7.168 596 H LEU 81 H LEU 81 13.502 -2.723 8.302 597 HA LEU 81 HA LEU 81 11.775 -3.792 6.195 598 HB2 LEU 81 1HB LEU 81 12.056 -5.065 8.294 599 HB3 LEU 81 2HB LEU 81 11.352 -3.713 9.179 600 HG LEU 81 HG LEU 81 9.258 -4.061 7.816 601 HD11 LEU 81 1HD1 LEU 81 10.662 -5.516 6.145 602 HD12 LEU 81 2HD1 LEU 81 8.966 -5.883 6.460 603 HD13 LEU 81 3HD1 LEU 81 10.233 -6.818 7.255 604 HD21 LEU 81 1HD2 LEU 81 10.177 -6.318 9.594 605 HD22 LEU 81 2HD2 LEU 81 8.503 -5.948 9.178 606 HD23 LEU 81 3HD2 LEU 81 9.449 -4.803 10.129 607 H TYR 82 H TYR 82 9.664 -3.004 5.852 608 HA TYR 82 HA TYR 82 8.962 -0.453 7.092 609 HB2 TYR 82 1HB TYR 82 9.048 -0.828 4.092 610 HB3 TYR 82 2HB TYR 82 8.540 0.623 4.949 611 HD1 TYR 82 1HD TYR 82 11.448 -1.536 4.193 612 HD2 TYR 82 2HD TYR 82 10.127 2.214 5.707 613 HE1 TYR 82 1HE TYR 82 13.764 -0.709 4.150 614 HE2 TYR 82 2HE TYR 82 12.439 3.052 5.666 615 HH TYR 82 HH TYR 82 15.141 0.955 5.024 616 H VAL 83 H VAL 83 6.814 -0.186 7.384 617 HA VAL 83 HA VAL 83 5.040 -2.238 6.228 618 HB VAL 83 HB VAL 83 4.766 -0.813 8.878 619 HG11 VAL 83 1HG1 VAL 83 2.573 -1.163 8.215 620 HG12 VAL 83 2HG1 VAL 83 2.961 -2.664 7.371 621 HG13 VAL 83 3HG1 VAL 83 2.932 -2.624 9.135 622 HG21 VAL 83 1HG2 VAL 83 4.936 -3.742 8.786 623 HG22 VAL 83 2HG2 VAL 83 6.410 -2.899 8.312 624 HG23 VAL 83 3HG2 VAL 83 5.690 -2.595 9.893 625 H PHE 84 H PHE 84 4.026 -1.291 4.563 626 HA PHE 84 HA PHE 84 3.122 1.476 4.798 627 HB2 PHE 84 1HB PHE 84 2.834 -0.302 2.379 628 HB3 PHE 84 2HB PHE 84 2.824 1.458 2.443 629 HD1 PHE 84 2HD PHE 84 4.897 2.706 2.678 630 HD2 PHE 84 1HD PHE 84 4.891 -1.542 2.409 631 HE1 PHE 84 2HE PHE 84 7.310 2.737 2.202 632 HE2 PHE 84 1HE PHE 84 7.305 -1.518 1.934 633 HZ PHE 84 HZ PHE 84 8.518 0.623 1.828 634 H LYS 85 H LYS 85 1.145 1.904 5.488 635 HA LYS 85 HA LYS 85 -0.927 -0.168 5.232 636 HB2 LYS 85 1HB LYS 85 -0.474 0.487 7.530 637 HB3 LYS 85 2HB LYS 85 -0.724 2.181 7.125 638 HG2 LYS 85 1HG LYS 85 -3.086 1.482 6.445 639 HG3 LYS 85 2HG LYS 85 -2.750 -0.020 7.310 640 HD2 LYS 85 1HD LYS 85 -3.839 1.417 8.851 641 HD3 LYS 85 2HD LYS 85 -2.132 1.404 9.301 642 HE2 LYS 85 1HE LYS 85 -3.057 3.496 7.405 643 HE3 LYS 85 2HE LYS 85 -3.525 3.655 9.097 644 HZ1 LYS 85 1HZ LYS 85 -1.546 4.685 9.230 645 HZ2 LYS 85 2HZ LYS 85 -0.909 3.917 7.865 646 HZ3 LYS 85 3HZ LYS 85 -0.937 3.111 9.353 647 H VAL 86 H VAL 86 -2.141 0.147 3.482 648 HA VAL 86 HA VAL 86 -2.648 2.833 2.491 649 HB VAL 86 HB VAL 86 -2.209 1.406 0.712 650 HG11 VAL 86 1HG1 VAL 86 -3.776 -0.613 2.262 651 HG12 VAL 86 2HG1 VAL 86 -3.547 -0.814 0.524 652 HG13 VAL 86 3HG1 VAL 86 -2.148 -0.730 1.595 653 HG21 VAL 86 1HG2 VAL 86 -4.059 1.616 -0.607 654 HG22 VAL 86 2HG2 VAL 86 -5.150 0.990 0.629 655 HG23 VAL 86 3HG2 VAL 86 -4.550 2.645 0.739 656 H THR 87 H THR 87 -4.299 3.968 3.246 657 HA THR 87 HA THR 87 -6.610 2.574 4.385 658 HB THR 87 HB THR 87 -6.166 5.548 4.492 659 HG1 THR 87 1HG THR 87 -5.209 3.668 6.406 660 HG21 THR 87 1HG2 THR 87 -8.300 4.129 5.246 661 HG22 THR 87 2HG2 THR 87 -7.762 5.565 6.118 662 HG23 THR 87 3HG2 THR 87 -7.332 3.961 6.710 663 H VAL 88 H VAL 88 -8.184 2.155 2.979 664 HA VAL 88 HA VAL 88 -8.909 4.248 1.032 665 HB VAL 88 HB VAL 88 -9.064 1.250 0.721 666 HG11 VAL 88 1HG1 VAL 88 -11.042 1.980 -0.279 667 HG12 VAL 88 2HG1 VAL 88 -10.299 3.461 -0.885 668 HG13 VAL 88 3HG1 VAL 88 -9.896 1.908 -1.618 669 HG21 VAL 88 1HG2 VAL 88 -7.730 3.103 -1.195 670 HG22 VAL 88 2HG2 VAL 88 -6.905 2.686 0.307 671 HG23 VAL 88 3HG2 VAL 88 -7.372 1.416 -0.824 672 H SER 89 H SER 89 -10.768 5.181 1.540 673 HA SER 89 HA SER 89 -12.996 3.512 2.451 674 HB2 SER 89 1HB SER 89 -13.602 5.219 4.157 675 HB3 SER 89 2HB SER 89 -12.062 4.431 4.498 676 HG SER 89 HG SER 89 -12.005 6.772 2.986 677 H SER 90 H SER 90 -15.094 4.537 2.188 678 HA SER 90 HA SER 90 -15.088 6.738 0.233 679 HB2 SER 90 1HB SER 90 -16.667 5.657 -1.149 680 HB3 SER 90 2HB SER 90 -15.499 4.397 -0.752 681 HG SER 90 HG SER 90 -18.037 4.818 0.447 682 H GLU 91 H GLU 91 -17.601 7.358 -0.087 683 HA GLU 91 HA GLU 91 -18.377 8.768 2.137 684 HB2 GLU 91 1HB GLU 91 -20.613 8.929 1.089 685 HB3 GLU 91 2HB GLU 91 -19.307 9.231 -0.049 686 HG2 GLU 91 1HG GLU 91 -19.544 6.753 -0.668 687 HG3 GLU 91 2HG GLU 91 -21.095 6.842 0.165 688 H ASN 92 H ASN 92 -19.728 5.647 1.064 689 HA ASN 92 HA ASN 92 -20.672 5.220 3.823 690 HB2 ASN 92 1HB ASN 92 -22.504 3.931 2.966 691 HB3 ASN 92 2HB ASN 92 -22.464 5.449 2.074 692 HD21 ASN 92 1HD2 ASN 92 -22.308 2.056 1.896 693 HD22 ASN 92 2HD2 ASN 92 -22.068 1.921 0.191 694 H ALA 93 H ALA 93 -18.042 4.594 2.991 695 HA ALA 93 HA ALA 93 -17.998 1.788 3.668 696 HB1 ALA 93 1HB ALA 93 -17.312 0.882 1.732 697 HB2 ALA 93 2HB ALA 93 -18.062 2.304 1.006 698 HB3 ALA 93 3HB ALA 93 -16.325 2.280 1.308 699 H PHE 94 H PHE 94 -15.790 1.012 4.095 700 HA PHE 94 HA PHE 94 -13.649 2.918 4.247 701 HB2 PHE 94 1HB PHE 94 -14.842 3.647 6.211 702 HB3 PHE 94 2HB PHE 94 -15.013 1.990 6.779 703 HD1 PHE 94 2HD PHE 94 -13.133 0.810 7.762 704 HD2 PHE 94 1HD PHE 94 -12.768 4.843 6.452 705 HE1 PHE 94 2HE PHE 94 -11.038 1.030 9.033 706 HE2 PHE 94 1HE PHE 94 -10.671 5.069 7.719 707 HZ PHE 94 HZ PHE 94 -9.804 3.161 9.013 708 H GLY 95 H GLY 95 -11.701 1.919 4.289 709 HA2 GLY 95 1HA GLY 95 -11.497 -0.831 5.235 710 HA3 GLY 95 2HA GLY 95 -11.197 -0.574 3.522 711 H GLU 96 H GLU 96 -9.293 -1.631 5.298 712 HA GLU 96 HA GLU 96 -7.173 0.320 4.923 713 HB2 GLU 96 1HB GLU 96 -8.003 -0.743 7.612 714 HB3 GLU 96 2HB GLU 96 -6.353 -0.217 7.309 715 HG2 GLU 96 1HG GLU 96 -7.442 1.970 6.486 716 HG3 GLU 96 2HG GLU 96 -8.866 1.398 7.353 717 H GLY 97 H GLY 97 -5.124 -0.592 4.735 718 HA2 GLY 97 1HA GLY 97 -4.990 -3.532 4.925 719 HA3 GLY 97 2HA GLY 97 -4.458 -2.709 3.466 720 H PHE 98 H PHE 98 -2.796 -4.395 4.943 721 HA PHE 98 HA PHE 98 -0.708 -2.495 5.691 722 HB2 PHE 98 1HB PHE 98 -1.671 -4.756 7.448 723 HB3 PHE 98 2HB PHE 98 -0.122 -3.950 7.672 724 HD1 PHE 98 2HD PHE 98 -3.780 -3.365 7.592 725 HD2 PHE 98 1HD PHE 98 0.026 -1.954 8.873 726 HE1 PHE 98 2HE PHE 98 -4.882 -1.637 8.954 727 HE2 PHE 98 1HE PHE 98 -1.070 -0.225 10.238 728 HZ PHE 98 HZ PHE 98 -3.527 -0.064 10.278 729 H VAL 99 H VAL 99 1.157 -3.007 4.754 730 HA VAL 99 HA VAL 99 1.655 -5.817 4.030 731 HB VAL 99 HB VAL 99 0.935 -4.455 2.047 732 HG11 VAL 99 1HG1 VAL 99 3.576 -3.066 2.494 733 HG12 VAL 99 2HG1 VAL 99 2.510 -2.853 1.103 734 HG13 VAL 99 3HG1 VAL 99 1.982 -2.341 2.707 735 HG21 VAL 99 1HG2 VAL 99 2.980 -6.332 2.305 736 HG22 VAL 99 2HG2 VAL 99 2.110 -5.903 0.832 737 HG23 VAL 99 3HG2 VAL 99 3.626 -5.093 1.228 738 H ASN 100 H ASN 100 3.714 -6.545 4.308 739 HA ASN 100 HA ASN 100 5.605 -4.650 5.529 740 HB2 ASN 100 1HB ASN 100 4.696 -6.808 6.734 741 HB3 ASN 100 2HB ASN 100 5.920 -7.617 5.761 742 HD21 ASN 100 1HD2 ASN 100 5.927 -4.449 7.336 743 HD22 ASN 100 2HD2 ASN 100 7.314 -4.749 8.321 744 H VAL 101 H VAL 101 7.704 -4.519 4.815 745 HA VAL 101 HA VAL 101 8.580 -6.262 2.646 746 HB VAL 101 HB VAL 101 8.516 -3.253 2.370 747 HG11 VAL 101 1HG1 VAL 101 9.195 -4.759 -0.004 748 HG12 VAL 101 2HG1 VAL 101 10.038 -3.406 0.752 749 HG13 VAL 101 3HG1 VAL 101 10.342 -5.055 1.302 750 HG21 VAL 101 1HG2 VAL 101 7.020 -3.701 0.464 751 HG22 VAL 101 2HG2 VAL 101 7.024 -5.414 0.882 752 HG23 VAL 101 3HG2 VAL 101 6.330 -4.236 1.996 753 H THR 102 H THR 102 10.700 -6.708 2.750 754 HA THR 102 HA THR 102 12.332 -5.130 4.631 755 HB THR 102 HB THR 102 12.799 -8.013 3.858 756 HG1 THR 102 1HG THR 102 10.800 -7.311 5.197 757 HG21 THR 102 1HG2 THR 102 14.057 -6.094 5.774 758 HG22 THR 102 2HG2 THR 102 14.818 -7.249 4.679 759 HG23 THR 102 3HG2 THR 102 14.038 -7.815 6.156 760 H VAL 103 H VAL 103 14.527 -4.751 4.111 761 HA VAL 103 HA VAL 103 15.175 -5.070 1.252 762 HB VAL 103 HB VAL 103 15.838 -2.730 3.044 763 HG11 VAL 103 1HG1 VAL 103 17.707 -3.169 1.588 764 HG12 VAL 103 2HG1 VAL 103 16.637 -3.296 0.191 765 HG13 VAL 103 3HG1 VAL 103 16.845 -1.745 1.007 766 HG21 VAL 103 1HG2 VAL 103 14.469 -1.449 1.459 767 HG22 VAL 103 2HG2 VAL 103 14.085 -2.938 0.596 768 HG23 VAL 103 3HG2 VAL 103 13.536 -2.715 2.257 769 H LYS 104 H LYS 104 16.538 -6.788 1.347 770 HA LYS 104 HA LYS 104 18.550 -7.035 3.387 771 HB2 LYS 104 1HB LYS 104 18.241 -8.598 0.818 772 HB3 LYS 104 2HB LYS 104 19.223 -9.053 2.204 773 HG2 LYS 104 1HG LYS 104 16.256 -8.670 2.423 774 HG3 LYS 104 2HG LYS 104 16.973 -10.206 1.928 775 HD2 LYS 104 1HD LYS 104 18.357 -10.089 4.044 776 HD3 LYS 104 2HD LYS 104 17.319 -8.751 4.542 777 HE2 LYS 104 1HE LYS 104 16.209 -10.495 5.516 778 HE3 LYS 104 2HE LYS 104 15.407 -10.465 3.946 779 HZ1 LYS 104 1HZ LYS 104 17.194 -12.449 5.075 780 HZ2 LYS 104 2HZ LYS 104 17.457 -12.093 3.443 781 HZ3 LYS 104 3HZ LYS 104 15.938 -12.633 3.956 782 HA PRO 105 HA PRO 105 21.736 -4.704 1.433 783 HB2 PRO 105 1HB PRO 105 23.883 -5.821 2.663 784 HB3 PRO 105 2HB PRO 105 22.781 -4.706 3.479 785 HG2 PRO 105 1HG PRO 105 22.866 -7.696 3.579 786 HG3 PRO 105 2HG PRO 105 22.629 -6.539 4.902 787 HD2 PRO 105 1HD PRO 105 20.576 -7.878 3.751 788 HD3 PRO 105 2HD PRO 105 20.399 -6.237 4.405 789 H ALA 106 H ALA 106 23.338 -4.875 -0.149 790 HA ALA 106 HA ALA 106 23.134 -6.770 -2.089 791 HB1 ALA 106 1HB ALA 106 24.619 -5.462 -3.091 792 HB2 ALA 106 2HB ALA 106 24.837 -4.598 -1.568 793 HB3 ALA 106 3HB ALA 106 25.879 -5.964 -1.964 794 H ARG 107 H ARG 107 23.068 -8.897 -1.539 795 HA ARG 107 HA ARG 107 24.834 -10.137 0.296 796 HB2 ARG 107 1HB ARG 107 23.082 -11.303 -1.873 797 HB3 ARG 107 2HB ARG 107 23.950 -12.265 -0.684 798 HG2 ARG 107 1HG ARG 107 22.673 -11.315 1.108 799 HG3 ARG 107 2HG ARG 107 21.901 -10.173 0.006 800 HD2 ARG 107 1HD ARG 107 20.421 -12.045 0.529 801 HD3 ARG 107 2HD ARG 107 20.843 -12.018 -1.183 802 HE ARG 107 HE ARG 107 22.673 -13.687 0.029 803 HH11 ARG 107 2HH1 ARG 107 19.217 -13.563 -0.367 804 HH12 ARG 107 1HH1 ARG 107 19.021 -15.284 -0.333 805 HH21 ARG 107 2HH2 ARG 107 22.428 -15.954 0.075 806 HH22 ARG 107 1HH2 ARG 107 20.848 -16.643 -0.080 807 H SER 108 H SER 108 24.749 -10.034 -3.253 808 HA SER 108 HA SER 108 27.450 -11.197 -3.295 809 HB2 SER 108 1HB SER 108 25.937 -12.496 -4.625 810 HB3 SER 108 2HB SER 108 25.302 -11.055 -5.418 811 HG SER 108 HG SER 108 28.041 -11.545 -5.614 812 H GLY 109 H GLY 109 29.111 -10.210 -4.444 813 HA2 GLY 109 1HA GLY 109 28.941 -8.019 -6.132 814 HA3 GLY 109 2HA GLY 109 29.048 -7.368 -4.503 815 HA PRO 110 HA PRO 110 33.321 -8.227 -6.262 816 HB2 PRO 110 1HB PRO 110 34.215 -5.666 -6.138 817 HB3 PRO 110 2HB PRO 110 33.382 -6.325 -7.550 818 HG2 PRO 110 1HG PRO 110 32.300 -4.631 -5.332 819 HG3 PRO 110 2HG PRO 110 32.005 -4.511 -7.077 820 HD2 PRO 110 1HD PRO 110 30.243 -5.669 -5.378 821 HD3 PRO 110 2HD PRO 110 30.446 -6.209 -7.057 822 H SER 111 H SER 111 31.949 -6.642 -3.511 823 HA SER 111 HA SER 111 34.434 -7.115 -1.997 824 HB2 SER 111 1HB SER 111 33.623 -5.350 -0.430 825 HB3 SER 111 2HB SER 111 33.930 -4.744 -2.058 826 HG SER 111 HG SER 111 31.658 -4.678 -0.650 827 H SER 112 H SER 112 34.311 -8.150 -0.025 828 HA SER 112 HA SER 112 31.800 -8.851 1.173 829 HB2 SER 112 1HB SER 112 32.095 -10.476 -0.782 830 HB3 SER 112 2HB SER 112 33.440 -11.160 0.132 831 HG SER 112 HG SER 112 30.870 -10.847 1.264 832 H GLY 113 H GLY 113 32.280 -10.642 2.943 833 HA2 GLY 113 1HA GLY 113 34.337 -11.444 4.237 834 HA3 GLY 113 2HA GLY 113 34.724 -9.732 4.319
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